smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@@H]1Cc2ccccc2N(C)C1	5310948	535496383	/nfs/dbraw/zinc/49/63/83/535496383.db2.gz	GBKFBODYMVIFJR-LLVKDONJSA-N	0	0	189.302	3.095	10	0		AGAERN
CC[C@@H]1[C@H](C)Cc2ccccc2N1C	5327709	535961868	/nfs/dbraw/zinc/96/18/68/535961868.db2.gz	JXLYORNRPYLZJB-ZYHUDNBSSA-N	0	0	189.302	3.094	10	0		AGAERN
Cc1ccc(C)c2c1C[C@@H](C)CC2=O	32189175	537787584	/nfs/dbraw/zinc/78/75/84/537787584.db2.gz	NCKPIRHHNXSPKV-MRVPVSSYSA-N	0	0	188.270	3.068	10	0		AGAERN
Cc1ccc(C)c2c1C[C@H](C)CC2=O	32189173	537789287	/nfs/dbraw/zinc/78/92/87/537789287.db2.gz	NCKPIRHHNXSPKV-QMMMGPOBSA-N	0	0	188.270	3.068	10	0		AGAERN
Cc1nc(-c2ccc(F)cc2)oc1C	34581191	537792615	/nfs/dbraw/zinc/79/26/15/537792615.db2.gz	SMNVGNAGVPOLLL-UHFFFAOYSA-N	0	0	191.205	3.098	10	0		AGAERN
CC(C)=CCN1CCc2ccccc21	34728457	537793199	/nfs/dbraw/zinc/79/31/99/537793199.db2.gz	CQIXKZVZJZAAMV-UHFFFAOYSA-N	0	0	187.286	3.015	10	0		AGAERN
O=Cc1csc(-c2ccsc2)c1	675082633	537807280	/nfs/dbraw/zinc/80/72/80/537807280.db2.gz	REJKAEVLWONGDQ-UHFFFAOYSA-N	0	0	194.280	3.289	10	0		AGAERN
Cc1ccc(-c2cc(C=O)cs2)o1	675082577	537807611	/nfs/dbraw/zinc/80/76/11/537807611.db2.gz	NAQNOKDLXQSOMX-UHFFFAOYSA-N	0	0	192.239	3.129	10	0		AGAERN
Cc1ccc(-c2cscc2C=O)o1	675082544	537807782	/nfs/dbraw/zinc/80/77/82/537807782.db2.gz	KBTPXQDRTKRQHQ-UHFFFAOYSA-N	0	0	192.239	3.129	10	0		AGAERN
C(=C1CCCCC1)C1CC1	675080489	537808140	/nfs/dbraw/zinc/80/81/40/537808140.db2.gz	RROYRNIAUAJESN-UHFFFAOYSA-N	0	0	136.238	3.287	10	0		AGAERN
CC(=O)c1ccc(-c2ccoc2)s1	675082574	537808226	/nfs/dbraw/zinc/80/82/26/537808226.db2.gz	MVPJDSHEBAXFGH-UHFFFAOYSA-N	0	0	192.239	3.211	10	0		AGAERN
Cc1sccc1-c1ccc(F)nc1	675082015	537809084	/nfs/dbraw/zinc/80/90/84/537809084.db2.gz	BQNYPIMDPUHIPS-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
CC(=O)c1sccc1-c1ccoc1	675081952	537809279	/nfs/dbraw/zinc/80/92/79/537809279.db2.gz	ANFDRWCTGWOSRC-UHFFFAOYSA-N	0	0	192.239	3.211	10	0		AGAERN
Cc1ccc(-c2ccc(C=O)s2)o1	675082564	537809308	/nfs/dbraw/zinc/80/93/08/537809308.db2.gz	LXCWSNWOJFHRAN-UHFFFAOYSA-N	0	0	192.239	3.129	10	0		AGAERN
CC(=O)c1ccc(-c2ccsc2)o1	675082599	537809388	/nfs/dbraw/zinc/80/93/88/537809388.db2.gz	PAUORJMNSHGJKJ-UHFFFAOYSA-N	0	0	192.239	3.211	10	0		AGAERN
CC(=O)c1ccc(-c2ccc(C)o2)o1	675082554	537809912	/nfs/dbraw/zinc/80/99/12/537809912.db2.gz	KZGPSGFZNLADAA-UHFFFAOYSA-N	0	0	190.198	3.051	10	0		AGAERN
FC(Br)=C1CCCC1	685947963	537822271	/nfs/dbraw/zinc/82/22/71/537822271.db2.gz	UXFQGMRJUCJMON-UHFFFAOYSA-N	0	0	179.032	3.136	10	0		AGAERN
C[C@H]1CCC[C@H]1c1cccc(N)c1	685949840	537828256	/nfs/dbraw/zinc/82/82/56/537828256.db2.gz	UTPLYXPFTXULBI-JOYOIKCWSA-N	0	0	175.275	3.172	10	0		AGAERN
C[C@H]1CCC[C@@H]1c1cccc(N)c1	685949838	537828737	/nfs/dbraw/zinc/82/87/37/537828737.db2.gz	UTPLYXPFTXULBI-CABZTGNLSA-N	0	0	175.275	3.172	10	0		AGAERN
C[C@@H]1CCC[C@H]1c1cccc(N)c1	685949833	537828779	/nfs/dbraw/zinc/82/87/79/537828779.db2.gz	UTPLYXPFTXULBI-BXKDBHETSA-N	0	0	175.275	3.172	10	0		AGAERN
C[C@@H]1CCC[C@@H]1c1cccc(N)c1	685949842	537829259	/nfs/dbraw/zinc/82/92/59/537829259.db2.gz	UTPLYXPFTXULBI-SKDRFNHKSA-N	0	0	175.275	3.172	10	0		AGAERN
CC(=O)[C@H](C)CSc1ccccc1	39039219	537830258	/nfs/dbraw/zinc/83/02/58/537830258.db2.gz	PWGHEGHLBAVQEQ-SECBINFHSA-N	0	0	194.299	3.004	10	0		AGAERN
CC(=O)[C@@H](C)CSc1ccccc1	39039218	537831830	/nfs/dbraw/zinc/83/18/30/537831830.db2.gz	PWGHEGHLBAVQEQ-VIFPVBQESA-N	0	0	194.299	3.004	10	0		AGAERN
CCCc1oc(C(C)(C)C)cc1C=O	77080551	537871452	/nfs/dbraw/zinc/87/14/52/537871452.db2.gz	OUOUQXWPHVXGCZ-UHFFFAOYSA-N	0	0	194.274	3.342	10	0		AGAERN
Oc1cc2ccccc2nc1C1CCC1	685963137	537871775	/nfs/dbraw/zinc/87/17/75/537871775.db2.gz	HHWPCEJEZASNBN-UHFFFAOYSA-N	0	0	199.253	3.208	10	0		AGAERN
CCCc1oc(C(C)C)cc1C=O	77080461	537871881	/nfs/dbraw/zinc/87/18/81/537871881.db2.gz	PNUDJVMAAWLQFZ-UHFFFAOYSA-N	0	0	180.247	3.168	10	0		AGAERN
Cc1cccc2cc(O)c(C3CC3)nc12	685963119	537871885	/nfs/dbraw/zinc/87/18/85/537871885.db2.gz	GURHKXHASWGYFX-UHFFFAOYSA-N	0	0	199.253	3.126	10	0		AGAERN
CC1(C)C[C@]1(C)/C=C/Br	685964472	537872665	/nfs/dbraw/zinc/87/26/65/537872665.db2.gz	IPGSQLPRNZYWSS-ZJELKQJVSA-N	0	0	189.096	3.331	10	0		AGAERN
C=C(OCC)c1cc(C)cc(O)c1C	685964637	537873622	/nfs/dbraw/zinc/87/36/22/537873622.db2.gz	ARTUPVIBHUSFNZ-UHFFFAOYSA-N	0	0	192.258	3.016	10	0		AGAERN
CC1(C)C[C@@]1(C)/C=C/Br	685964471	537874011	/nfs/dbraw/zinc/87/40/11/537874011.db2.gz	IPGSQLPRNZYWSS-WTSVBCDHSA-N	0	0	189.096	3.331	10	0		AGAERN
Cc1ccc2nc(C3CC3)c(O)cc2c1	685963644	537874444	/nfs/dbraw/zinc/87/44/44/537874444.db2.gz	UTTGBIBZIRFMPT-UHFFFAOYSA-N	0	0	199.253	3.126	10	0		AGAERN
C=C(OCC)c1cc(Cl)ccc1O	685964798	537875260	/nfs/dbraw/zinc/87/52/60/537875260.db2.gz	DTSOISRCNKUERS-UHFFFAOYSA-N	0	0	198.649	3.053	10	0		AGAERN
CC1(/C=C/Br)CCC1	685964336	537875295	/nfs/dbraw/zinc/87/52/95/537875295.db2.gz	AVKOPALBSSELTE-AATRIKPKSA-N	0	0	175.069	3.085	10	0		AGAERN
C=C(OCC)c1ccc(Cl)c(O)c1	685965012	537875316	/nfs/dbraw/zinc/87/53/16/537875316.db2.gz	KQLAJKSEZUBPMV-UHFFFAOYSA-N	0	0	198.649	3.053	10	0		AGAERN
Fc1ccc(-c2ccoc2)cc1	82059794	537876162	/nfs/dbraw/zinc/87/61/62/537876162.db2.gz	TZHXRUDIJAFUIY-UHFFFAOYSA-N	0	0	162.163	3.086	10	0		AGAERN
C=C(OCC)c1ccc(O)c(Cl)c1	685965785	537876694	/nfs/dbraw/zinc/87/66/94/537876694.db2.gz	SWDOLVQDRJMUEH-UHFFFAOYSA-N	0	0	198.649	3.053	10	0		AGAERN
Fc1ccc2c(Cl)nsc2c1	78443094	537878814	/nfs/dbraw/zinc/87/88/14/537878814.db2.gz	QSQRDXWYGHPKOP-UHFFFAOYSA-N	0	0	187.626	3.089	10	0		AGAERN
Fc1ccc2snc(Cl)c2c1	79087212	537878892	/nfs/dbraw/zinc/87/88/92/537878892.db2.gz	XPZWCJQMRIUYSO-UHFFFAOYSA-N	0	0	187.626	3.089	10	0		AGAERN
COc1ccccc1OC1CCCC1	79597543	537879060	/nfs/dbraw/zinc/87/90/60/537879060.db2.gz	GUJDBBZFIWXGFL-UHFFFAOYSA-N	0	0	192.258	3.017	10	0		AGAERN
CCCCc1cc(Cl)cnc1F	725241458	537888449	/nfs/dbraw/zinc/88/84/49/537888449.db2.gz	RKGVLJYFYMSEIB-UHFFFAOYSA-N	0	0	187.645	3.217	10	0		AGAERN
CC(C)C/C=C(/F)C(F)(F)F	725255354	537917654	/nfs/dbraw/zinc/91/76/54/537917654.db2.gz	ZLTIXHYSGOFRDW-GQCTYLIASA-N	0	0	170.149	3.448	10	0		AGAERN
O=Cc1cc(Cl)cc(F)c1C1CC1	725257805	537923268	/nfs/dbraw/zinc/92/32/68/537923268.db2.gz	XMCVKGNDSLDSTR-UHFFFAOYSA-N	0	0	198.624	3.169	10	0		AGAERN
CC(C)c1c[nH]c2nccc(Cl)c12	725260673	537924605	/nfs/dbraw/zinc/92/46/05/537924605.db2.gz	XWECQNWKKHBMJO-UHFFFAOYSA-N	0	0	194.665	3.340	10	0		AGAERN
Clc1ccnc2[nH]cc(C3CC3)c12	725259927	537927205	/nfs/dbraw/zinc/92/72/05/537927205.db2.gz	KWZLVSFHFIOQGQ-UHFFFAOYSA-N	0	0	192.649	3.094	10	0		AGAERN
CSc1cccc2ccoc12	725261897	537930084	/nfs/dbraw/zinc/93/00/84/537930084.db2.gz	MKOBWXOVICGMML-UHFFFAOYSA-N	0	0	164.229	3.155	10	0		AGAERN
CC(C)(C)Cc1ccc(F)cc1	113052130	537965309	/nfs/dbraw/zinc/96/53/09/537965309.db2.gz	RCXJXUYAJHPPSV-UHFFFAOYSA-N	0	0	166.239	3.414	10	0		AGAERN
CC(C)(C)Cc1cccc(F)c1	113054021	537965917	/nfs/dbraw/zinc/96/59/17/537965917.db2.gz	NJPDGTBXWNJEMO-UHFFFAOYSA-N	0	0	166.239	3.414	10	0		AGAERN
C=Cc1cccc(C(C)C)c1	111352980	537965957	/nfs/dbraw/zinc/96/59/57/537965957.db2.gz	BYYLJVQCWRRFMP-UHFFFAOYSA-N	0	0	146.233	3.453	10	0		AGAERN
Cc1ccc(F)cc1C(C)C	114618305	537967384	/nfs/dbraw/zinc/96/73/84/537967384.db2.gz	CBPGXUNJIBWWHW-UHFFFAOYSA-N	0	0	152.212	3.258	10	0		AGAERN
CC(C)(C)Cc1ccccc1F	114622585	537969054	/nfs/dbraw/zinc/96/90/54/537969054.db2.gz	RYELJIXAAATHAG-UHFFFAOYSA-N	0	0	166.239	3.414	10	0		AGAERN
Cc1cc(Cl)cc2ccoc12	117904825	537971283	/nfs/dbraw/zinc/97/12/83/537971283.db2.gz	JZUIAXJOLNHMAO-UHFFFAOYSA-N	0	0	166.607	3.395	10	0		AGAERN
Fc1cccc2snc(Cl)c12	116905654	537971398	/nfs/dbraw/zinc/97/13/98/537971398.db2.gz	QRBNEQPUZOTTLU-UHFFFAOYSA-N	0	0	187.626	3.089	10	0		AGAERN
CCCCNc1cc(Cl)ccc1N	116321967	537971462	/nfs/dbraw/zinc/97/14/62/537971462.db2.gz	WLNRMAMMTXURDZ-UHFFFAOYSA-N	0	0	198.697	3.134	10	0		AGAERN
Fc1cccc2c(Cl)nsc12	116105959	537972848	/nfs/dbraw/zinc/97/28/48/537972848.db2.gz	LGIAQKXHQJKIQH-UHFFFAOYSA-N	0	0	187.626	3.089	10	0		AGAERN
CO[C@H](C)c1cccc(NC(C)C)c1	146909720	537998581	/nfs/dbraw/zinc/99/85/81/537998581.db2.gz	ATRQIGMQJDCTKI-SNVBAGLBSA-N	0	0	193.290	3.214	10	0		AGAERN
CO[C@@H](C)c1cccc(NC(C)C)c1	146909891	537999125	/nfs/dbraw/zinc/99/91/25/537999125.db2.gz	ATRQIGMQJDCTKI-JTQLQIEISA-N	0	0	193.290	3.214	10	0		AGAERN
CCOCc1cccc(NC(C)C)c1	146910933	537999872	/nfs/dbraw/zinc/99/98/72/537999872.db2.gz	HMNGMHBXESWPCX-UHFFFAOYSA-N	0	0	193.290	3.043	10	0		AGAERN
CCCc1ccc2ccc(O)cc2c1	144989218	538000073	/nfs/dbraw/zinc/00/00/73/538000073.db2.gz	RBMOEFAKYVUKDA-UHFFFAOYSA-N	0	0	186.254	3.498	10	0		AGAERN
O=Cc1ccc(C2CC2)cc1Cl	147587326	538002864	/nfs/dbraw/zinc/00/28/64/538002864.db2.gz	MXDHRFKHXAXKRN-UHFFFAOYSA-N	0	0	180.634	3.030	10	0		AGAERN
CCN(C)c1ccccc1C(C)C	147206110	538005554	/nfs/dbraw/zinc/00/55/54/538005554.db2.gz	RYCZFBJPEHRDIS-UHFFFAOYSA-N	0	0	177.291	3.266	10	0		AGAERN
CCCc1nccn1[C@@H]1C=CCCC1	162865613	538076664	/nfs/dbraw/zinc/07/66/64/538076664.db2.gz	DLEVAIAVWILPIV-LLVKDONJSA-N	0	0	190.290	3.117	10	0		AGAERN
CCCc1nccn1[C@H]1C=CCCC1	162865485	538077788	/nfs/dbraw/zinc/07/77/88/538077788.db2.gz	DLEVAIAVWILPIV-NSHDSACASA-N	0	0	190.290	3.117	10	0		AGAERN
Cc1ccc(SCC2CC2)cc1	166433913	538160621	/nfs/dbraw/zinc/16/06/21/538160621.db2.gz	FHICIOAQVXXVSY-UHFFFAOYSA-N	0	0	178.300	3.497	10	0		AGAERN
Cc1nccn1CC1CCCCCC1	201326743	538185026	/nfs/dbraw/zinc/18/50/26/538185026.db2.gz	AHFHHAGALWGVBS-UHFFFAOYSA-N	0	0	192.306	3.162	10	0		AGAERN
CCc1ccc2c(c1)C1(CCC1)CN2	213108377	538190668	/nfs/dbraw/zinc/19/06/68/538190668.db2.gz	SSXOLRMKGHFLOK-UHFFFAOYSA-N	0	0	187.286	3.096	10	0		AGAERN
CCc1cccc2c1NCC21CCC1	213108814	538191663	/nfs/dbraw/zinc/19/16/63/538191663.db2.gz	GJPVAGFPUVPDLJ-UHFFFAOYSA-N	0	0	187.286	3.096	10	0		AGAERN
C[C@@H]1CC[C@@H](c2cccc(N)c2)C1	222152755	538195575	/nfs/dbraw/zinc/19/55/75/538195575.db2.gz	XWNWHEPWRYOSOR-MWLCHTKSSA-N	0	0	175.275	3.172	10	0		AGAERN
C[C@H]1CC[C@H](c2cccc(N)c2)C1	222152696	538195865	/nfs/dbraw/zinc/19/58/65/538195865.db2.gz	XWNWHEPWRYOSOR-ONGXEEELSA-N	0	0	175.275	3.172	10	0		AGAERN
C[C@H]1CC[C@@H](c2cccc(N)c2)C1	222152809	538195875	/nfs/dbraw/zinc/19/58/75/538195875.db2.gz	XWNWHEPWRYOSOR-GXSJLCMTSA-N	0	0	175.275	3.172	10	0		AGAERN
C[C@@H]1CC[C@H](c2cccc(N)c2)C1	222152640	538196537	/nfs/dbraw/zinc/19/65/37/538196537.db2.gz	XWNWHEPWRYOSOR-KOLCDFICSA-N	0	0	175.275	3.172	10	0		AGAERN
CCCCOc1cc(F)ccc1C	230402971	538207416	/nfs/dbraw/zinc/20/74/16/538207416.db2.gz	HINJVXPABMTZJF-UHFFFAOYSA-N	0	0	182.238	3.313	10	0		AGAERN
Br/C=C/C1CCCC1	306739594	538310201	/nfs/dbraw/zinc/31/02/01/538310201.db2.gz	SFHNHJWDXIHOIZ-AATRIKPKSA-N	0	0	175.069	3.085	10	0		AGAERN
Cc1ccc2c(Cl)nsc2c1	307041728	538312630	/nfs/dbraw/zinc/31/26/30/538312630.db2.gz	PYFPZBYJBCFTKC-UHFFFAOYSA-N	0	0	183.663	3.258	10	0		AGAERN
FCCCSc1cccc(F)c1	379332254	538352472	/nfs/dbraw/zinc/35/24/72/538352472.db2.gz	GUSXPQHULIMHQP-UHFFFAOYSA-N	0	0	188.242	3.277	10	0		AGAERN
CCC(CC)N[C@@H](CC)C(F)(F)F	379363319	538367517	/nfs/dbraw/zinc/36/75/17/538367517.db2.gz	JQLXIOHRQPPKSC-QMMMGPOBSA-N	0	0	197.244	3.106	10	0		AGAERN
CCCN(C)c1ncc(C(C)C)s1	381899264	538428058	/nfs/dbraw/zinc/42/80/58/538428058.db2.gz	BLMGRSSCGUZWJV-UHFFFAOYSA-N	0	0	198.335	3.113	10	0		AGAERN
CCC[C@@H](C)N[C@@H](CC)C(F)(F)F	388577420	538433134	/nfs/dbraw/zinc/43/31/34/538433134.db2.gz	CDVDFBTWTMKPJC-SFYZADRCSA-N	0	0	197.244	3.106	10	0		AGAERN
CC(C)CCCSc1cccnn1	388591803	538433671	/nfs/dbraw/zinc/43/36/71/538433671.db2.gz	AWOCDOHBSSPEOH-UHFFFAOYSA-N	0	0	196.319	3.005	10	0		AGAERN
c1ccc(N[C@H]2C[C@H]3CCC[C@@H]23)cc1	667606258	538442242	/nfs/dbraw/zinc/44/22/42/538442242.db2.gz	XWYRXPUTBMLQMU-RTXFEEFZSA-N	0	0	187.286	3.287	10	0		AGAERN
c1ccc(N[C@@H]2C[C@H]3CCC[C@H]32)cc1	667606257	538442284	/nfs/dbraw/zinc/44/22/84/538442284.db2.gz	XWYRXPUTBMLQMU-RAIGVLPGSA-N	0	0	187.286	3.287	10	0		AGAERN
Cc1cc(C)c2cc(F)c(F)cc2n1	669372759	538442310	/nfs/dbraw/zinc/44/23/10/538442310.db2.gz	ZODMBQCBJDQVMO-UHFFFAOYSA-N	0	0	193.196	3.130	10	0		AGAERN
Cc1cc(C)c2cc(C)c(F)cc2n1	669371965	538442713	/nfs/dbraw/zinc/44/27/13/538442713.db2.gz	CWNWYCNRLZUGMT-UHFFFAOYSA-N	0	0	189.233	3.299	10	0		AGAERN
Cc1cc(C)c2cc(F)c(C)cc2n1	669372263	538442738	/nfs/dbraw/zinc/44/27/38/538442738.db2.gz	LMTVBSUIXJNPDD-UHFFFAOYSA-N	0	0	189.233	3.299	10	0		AGAERN
CNc1ccc(-c2ccc(F)o2)cc1	669379736	538444771	/nfs/dbraw/zinc/44/47/71/538444771.db2.gz	AOYDTASJPUFPGB-UHFFFAOYSA-N	0	0	191.205	3.127	10	0		AGAERN
Cc1cc(-c2cccs2)cc(F)n1	669378581	538445055	/nfs/dbraw/zinc/44/50/55/538445055.db2.gz	HVKVVJHFAGMFCW-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
Cc1cc(-c2ccsc2)cc(F)n1	669378807	538445268	/nfs/dbraw/zinc/44/52/68/538445268.db2.gz	OCAWMNFGAUIXJJ-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
Fc1ccnc(F)c1-c1ccsc1	669379845	538445332	/nfs/dbraw/zinc/44/53/32/538445332.db2.gz	HLMFGYRUDSFRPM-UHFFFAOYSA-N	0	0	197.209	3.088	10	0		AGAERN
CCCCc1c[nH]c2cnc(F)cc12	669381837	538445628	/nfs/dbraw/zinc/44/56/28/538445628.db2.gz	XFAONDDTWCYUDU-UHFFFAOYSA-N	0	0	192.237	3.045	10	0		AGAERN
Cc1ccc2ccccc2c1C[C@H]1CO1	669383015	538446257	/nfs/dbraw/zinc/44/62/57/538446257.db2.gz	RAHBWAZCHMSRPB-LBPRGKRZSA-N	0	0	198.265	3.090	10	0		AGAERN
Cc1ccc2ccccc2c1C[C@@H]1CO1	669383014	538446480	/nfs/dbraw/zinc/44/64/80/538446480.db2.gz	RAHBWAZCHMSRPB-GFCCVEGCSA-N	0	0	198.265	3.090	10	0		AGAERN
Cc1cc(-c2cccc(F)c2)sn1	669384992	538447021	/nfs/dbraw/zinc/44/70/21/538447021.db2.gz	RLUYZYRNWBYGOL-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
Cc1cc(-c2ccccc2F)sn1	669384912	538447139	/nfs/dbraw/zinc/44/71/39/538447139.db2.gz	MYIWIZFPAXPZRH-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
Cc1cc(-c2ccc(F)cc2)sn1	669385073	538447151	/nfs/dbraw/zinc/44/71/51/538447151.db2.gz	WMXNYZFTNLVJCF-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
Fc1ccc(C=C2CCC2)cc1	675051816	538447454	/nfs/dbraw/zinc/44/74/54/538447454.db2.gz	UUOIOJCQKVFQNB-UHFFFAOYSA-N	0	0	162.207	3.393	10	0		AGAERN
Fc1cccc(C=C2CCOCC2)c1	675051482	538447523	/nfs/dbraw/zinc/44/75/23/538447523.db2.gz	LYKNLKIISRWGGW-UHFFFAOYSA-N	0	0	192.233	3.020	10	0		AGAERN
O=Cc1cc(C=C2CCC2)cs1	675051153	538447544	/nfs/dbraw/zinc/44/75/44/538447544.db2.gz	BRDJSFPEKIZFSE-UHFFFAOYSA-N	0	0	178.256	3.128	10	0		AGAERN
O=Cc1ccc(C=C2CCCC2)cc1	675051762	538447668	/nfs/dbraw/zinc/44/76/68/538447668.db2.gz	SUCJYUNMVNAOJN-UHFFFAOYSA-N	0	0	186.254	3.457	10	0		AGAERN
C1=Cc2cc(-c3ccncc3)ccc2C1	675053036	538448009	/nfs/dbraw/zinc/44/80/09/538448009.db2.gz	FFWOVVHPZRSMTK-UHFFFAOYSA-N	0	0	193.249	3.318	10	0		AGAERN
CCCc1cc(C=O)c(C2CCC2)o1	675052827	538448014	/nfs/dbraw/zinc/44/80/14/538448014.db2.gz	AMTMZBHUCRERPH-UHFFFAOYSA-N	0	0	192.258	3.312	10	0		AGAERN
CCCc1cc(C=O)c(C(C)(C)C)o1	675053513	538448070	/nfs/dbraw/zinc/44/80/70/538448070.db2.gz	IIZFLDWZOIOWFC-UHFFFAOYSA-N	0	0	194.274	3.342	10	0		AGAERN
CCc1oc(C(C)(C)CC)cc1C=O	675052546	538448156	/nfs/dbraw/zinc/44/81/56/538448156.db2.gz	BCWAZAKYLVQQTD-UHFFFAOYSA-N	0	0	194.274	3.342	10	0		AGAERN
CC(C)c1oc(CC2CC2)cc1C=O	675052761	538448399	/nfs/dbraw/zinc/44/83/99/538448399.db2.gz	DMIKZXOMJNHNRR-UHFFFAOYSA-N	0	0	192.258	3.168	10	0		AGAERN
COc1cc(F)cc(C=C2CCC2)c1	675051949	538448248	/nfs/dbraw/zinc/44/82/48/538448248.db2.gz	YFQSMOBKOQXUMW-UHFFFAOYSA-N	0	0	192.233	3.402	10	0		AGAERN
O=Cc1ccc(Cl)c(C2CC2)c1	675052992	538448250	/nfs/dbraw/zinc/44/82/50/538448250.db2.gz	DEOSUXUGNLBYAZ-UHFFFAOYSA-N	0	0	180.634	3.030	10	0		AGAERN
CC[C@H](C)c1cc(C=O)c(C2CC2)o1	675055159	538448499	/nfs/dbraw/zinc/44/84/99/538448499.db2.gz	QLTNFYWBRHCPDI-QMMMGPOBSA-N	0	0	192.258	3.483	10	0		AGAERN
CC(C)c1cc(C=O)c(C2CCC2)o1	675053416	538448294	/nfs/dbraw/zinc/44/82/94/538448294.db2.gz	KBVVNAQKJFCBOQ-UHFFFAOYSA-N	0	0	192.258	3.483	10	0		AGAERN
CCc1oc([C@H](C)CC)cc1C=O	675053161	538448375	/nfs/dbraw/zinc/44/83/75/538448375.db2.gz	GWNAPBYOKPKUEP-MRVPVSSYSA-N	0	0	180.247	3.168	10	0		AGAERN
CC(C)c1cc(C=O)c(C(F)F)o1	675052928	538448382	/nfs/dbraw/zinc/44/83/82/538448382.db2.gz	CIQYZFXOSJIRPS-UHFFFAOYSA-N	0	0	188.173	3.153	10	0		AGAERN
CCc1oc([C@@H](C)CC)cc1C=O	675053162	538448385	/nfs/dbraw/zinc/44/83/85/538448385.db2.gz	GWNAPBYOKPKUEP-QMMMGPOBSA-N	0	0	180.247	3.168	10	0		AGAERN
CCCc1cc(C=O)c(C(C)C)o1	675055792	538448555	/nfs/dbraw/zinc/44/85/55/538448555.db2.gz	YFJRWSIDSHPEBX-UHFFFAOYSA-N	0	0	180.247	3.168	10	0		AGAERN
CCC(C)(C)c1cc(C=O)c(C)o1	675055581	538448639	/nfs/dbraw/zinc/44/86/39/538448639.db2.gz	VFJUPCXTCZLSSM-UHFFFAOYSA-N	0	0	180.247	3.088	10	0		AGAERN
CCc1oc(C2CCCC2)cc1C=O	675055357	538448741	/nfs/dbraw/zinc/44/87/41/538448741.db2.gz	ROJHHLDRRPTZHV-UHFFFAOYSA-N	0	0	192.258	3.312	10	0		AGAERN
CC[C@@H](C)c1cc(C=O)c(C2CC2)o1	675055157	538448938	/nfs/dbraw/zinc/44/89/38/538448938.db2.gz	QLTNFYWBRHCPDI-MRVPVSSYSA-N	0	0	192.258	3.483	10	0		AGAERN
Oc1ccc2ccc(C3CC3)cc2c1	675057639	538449639	/nfs/dbraw/zinc/44/96/39/538449639.db2.gz	GOAGWMMRBPROIO-UHFFFAOYSA-N	0	0	184.238	3.423	10	0		AGAERN
CC(C)[C@@H](C)Nc1cc(F)cc(F)c1	19961910	541301306	/nfs/dbraw/zinc/30/13/06/541301306.db2.gz	JFWFGMLBUHHGHA-MRVPVSSYSA-N	0	0	199.244	3.421	10	0		AGAERN
CC(C)[C@H](C)Nc1cc(F)cc(F)c1	19961912	541301387	/nfs/dbraw/zinc/30/13/87/541301387.db2.gz	JFWFGMLBUHHGHA-QMMMGPOBSA-N	0	0	199.244	3.421	10	0		AGAERN
CCc1cc(C)nc2cc(F)ccc12	204749532	541315925	/nfs/dbraw/zinc/31/59/25/541315925.db2.gz	FQNJWWNDBPPHSI-UHFFFAOYSA-N	0	0	189.233	3.245	10	0		AGAERN
CCC(C)(C)c1csc(C(C)=O)n1	306177687	541327827	/nfs/dbraw/zinc/32/78/27/541327827.db2.gz	CBWLPZANSIODOQ-UHFFFAOYSA-N	0	0	197.303	3.033	10	0		AGAERN
Fc1ccnc(F)c1C1CCCC1	669380950	541348613	/nfs/dbraw/zinc/34/86/13/541348613.db2.gz	UCAJYYILUIDPKP-UHFFFAOYSA-N	0	0	183.201	3.017	10	0		AGAERN
CCC(CC)c1c(F)ccnc1F	669381096	541348628	/nfs/dbraw/zinc/34/86/28/541348628.db2.gz	XYJAEQAGSJZFFW-UHFFFAOYSA-N	0	0	185.217	3.263	10	0		AGAERN
CCNc1ccc(-c2ccncc2)cc1	669380086	541348907	/nfs/dbraw/zinc/34/89/07/541348907.db2.gz	IKDOOPAHDGFLPY-UHFFFAOYSA-N	0	0	198.269	3.180	10	0		AGAERN
CCNc1ccc(-c2cccnc2)cc1	669380848	541350235	/nfs/dbraw/zinc/35/02/35/541350235.db2.gz	YGZJQYVKTGOTCA-UHFFFAOYSA-N	0	0	198.269	3.180	10	0		AGAERN
Nc1cccc(C=C2CCCCC2)n1	675079386	541353177	/nfs/dbraw/zinc/35/31/77/541353177.db2.gz	FRGMPTIAORCCEH-UHFFFAOYSA-N	0	0	188.274	3.011	10	0		AGAERN
CCCC(=O)OC1CCCCCCC1	59825293	756964775	/nfs/dbraw/zinc/96/47/75/756964775.db2.gz	QWCHEJJEUWMMDA-UHFFFAOYSA-N	0	0	198.306	3.443	10	0		AGAERN
CCCC(=O)OC1CCCCCC1	59825302	756967243	/nfs/dbraw/zinc/96/72/43/756967243.db2.gz	GRNSZEZDEODGBP-UHFFFAOYSA-N	0	0	184.279	3.053	10	0		AGAERN
Cc1ccc(O)c(Nc2ccccc2)c1	82229443	756973911	/nfs/dbraw/zinc/97/39/11/756973911.db2.gz	DMGPECYCDGWBIP-UHFFFAOYSA-N	0	0	199.253	3.444	10	0		AGAERN
Cc1ccc(Nc2ccccn2)cc1C	82714472	756975593	/nfs/dbraw/zinc/97/55/93/756975593.db2.gz	BTGLSXHPJSHESP-UHFFFAOYSA-N	0	0	198.269	3.442	10	0		AGAERN
Cc1cccc(C)c1Nc1cccnc1	82714518	756976099	/nfs/dbraw/zinc/97/60/99/756976099.db2.gz	AWNNCSGQVZYNEI-UHFFFAOYSA-N	0	0	198.269	3.442	10	0		AGAERN
Cc1ccc(Nc2cccnc2)cc1C	82714519	756977212	/nfs/dbraw/zinc/97/72/12/756977212.db2.gz	SRDKSSCDFBMFQY-UHFFFAOYSA-N	0	0	198.269	3.442	10	0		AGAERN
CCc1ccccc1Nc1ccccn1	165363168	757014306	/nfs/dbraw/zinc/01/43/06/757014306.db2.gz	BTBDKDGNZZWUFT-UHFFFAOYSA-N	0	0	198.269	3.388	10	0		AGAERN
CCC(C)(C)COC(=O)C(C)(C)C	197048460	757025384	/nfs/dbraw/zinc/02/53/84/757025384.db2.gz	SXYRNEZCDLVWQE-UHFFFAOYSA-N	0	0	186.295	3.012	10	0		AGAERN
CS[C@@H]1CCCc2ccccc21	196706363	757025884	/nfs/dbraw/zinc/02/58/84/757025884.db2.gz	HJIBFPJUKQDQOD-LLVKDONJSA-N	0	0	178.300	3.427	10	0		AGAERN
CS[C@H]1CCCc2ccccc21	196706374	757026326	/nfs/dbraw/zinc/02/63/26/757026326.db2.gz	HJIBFPJUKQDQOD-NSHDSACASA-N	0	0	178.300	3.427	10	0		AGAERN
CCC/C=C\C(=O)OCCCCC	200543560	757029187	/nfs/dbraw/zinc/02/91/87/757029187.db2.gz	FEXUBNBXARZGCA-CLFYSBASSA-N	0	0	184.279	3.076	10	0		AGAERN
CCC/C=C/C(=O)OCCCCC	200543591	757029790	/nfs/dbraw/zinc/02/97/90/757029790.db2.gz	FEXUBNBXARZGCA-VQHVLOKHSA-N	0	0	184.279	3.076	10	0		AGAERN
CCCCCCCCOC(=O)C1CC1	204881740	757030698	/nfs/dbraw/zinc/03/06/98/757030698.db2.gz	AECJYTHMPJTRJY-UHFFFAOYSA-N	0	0	198.306	3.300	10	0		AGAERN
Cc1ccnc(C)c1NCC(C)(C)C	306414355	757063580	/nfs/dbraw/zinc/06/35/80/757063580.db2.gz	WOKZWEKCEOVLJZ-UHFFFAOYSA-N	0	0	192.306	3.156	10	0		AGAERN
CCCNc1cccc(C(F)F)c1	306885053	757079609	/nfs/dbraw/zinc/07/96/09/757079609.db2.gz	RDCZHIHYBDFSQP-UHFFFAOYSA-N	0	0	185.217	3.446	10	0		AGAERN
CCC/C=C/C=C/C=C\CCCO	213897310	571687141	/nfs/dbraw/zinc/68/71/41/571687141.db2.gz	YGMCKHJVYVCZOU-GBXKULHUSA-N	0	0	180.291	3.228	10	0		AGAERN
CC[C@H](C)[C@@H](C)Nc1ccc(O)cc1	37131686	571697186	/nfs/dbraw/zinc/69/71/86/571697186.db2.gz	BRHDCRAFSSMRNS-VHSXEESVSA-N	0	0	193.290	3.239	10	0		AGAERN
CCCCCC[C@@H]1CC[C@@H](O)C1	80475737	571963234	/nfs/dbraw/zinc/96/32/34/571963234.db2.gz	KCRLHHSPRTYAHC-GHMZBOCLSA-N	0	0	170.296	3.118	10	0		AGAERN
C[C@H]1C[C@@]1(CO)C[C@@H](C)C(C)(C)C	710801348	571727297	/nfs/dbraw/zinc/72/72/97/571727297.db2.gz	UXJZYBJOMBDJHQ-JFGNBEQYSA-N	0	0	184.323	3.077	10	0		AGAERN
Fc1cc2ccsc2cc1F	38881732	571861366	/nfs/dbraw/zinc/86/13/66/571861366.db2.gz	ZZROMKZFGQSVSB-UHFFFAOYSA-N	0	0	170.183	3.180	10	0		AGAERN
C[C@H](C1CC1)[C@H](O)CCC1CCCC1	300746278	571875803	/nfs/dbraw/zinc/87/58/03/571875803.db2.gz	JMPVIEDKWNHDCA-ZWNOBZJWSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@H](O)[C@H](C)CC(C)(C)CC	713182034	571997999	/nfs/dbraw/zinc/99/79/99/571997999.db2.gz	INURGWJGCSTXDG-NXEZZACHSA-N	0	0	172.312	3.220	10	0		AGAERN
CC(C)(C)[C@@H]1CC=C(CCO)CC1	196381912	571889212	/nfs/dbraw/zinc/88/92/12/571889212.db2.gz	JIKXCRREPXWGSE-LLVKDONJSA-N	0	0	182.307	3.141	10	0		AGAERN
Cc1cc(C)c2oc(C)cc2c1	39136346	571903599	/nfs/dbraw/zinc/90/35/99/571903599.db2.gz	MRZGASGFBNBTJI-UHFFFAOYSA-N	0	0	160.216	3.358	10	0		AGAERN
CCCC[C@@H](C)c1onc(N)c1CC	300879048	572001441	/nfs/dbraw/zinc/00/14/41/572001441.db2.gz	FVGKHMUCFXHHPE-MRVPVSSYSA-N	0	0	196.294	3.113	10	0		AGAERN
Cc1ccc2c(c1)CSCCCN2	39316513	571921770	/nfs/dbraw/zinc/92/17/70/571921770.db2.gz	SKTLBJZDWRFZIP-UHFFFAOYSA-N	0	0	193.315	3.044	10	0		AGAERN
c1ccc2c(c1)CSCCCCN2	39316560	571923054	/nfs/dbraw/zinc/92/30/54/571923054.db2.gz	TXHILYKUQPJBDS-UHFFFAOYSA-N	0	0	193.315	3.126	10	0		AGAERN
CC[C@H](C)COc1ccc(C)c(N)c1	300888181	572020547	/nfs/dbraw/zinc/02/05/47/572020547.db2.gz	OAUHDRUHNOLUHG-VIFPVBQESA-N	0	0	193.290	3.002	10	0		AGAERN
O[C@@H](c1cccs1)C1CCCCC1	32009413	571963260	/nfs/dbraw/zinc/96/32/60/571963260.db2.gz	HOLAPZNLQDHKQJ-LLVKDONJSA-N	0	0	196.315	3.362	10	0		AGAERN
CCC[C@@H](O)CCCCC(C)C	80476608	571963549	/nfs/dbraw/zinc/96/35/49/571963549.db2.gz	OEYJAKXSTMGBCD-LLVKDONJSA-N	0	0	172.312	3.364	10	0		AGAERN
CC(C)C[C@H](C)C[C@H](O)[C@H](C)C1CC1	300823218	571965835	/nfs/dbraw/zinc/96/58/35/571965835.db2.gz	BGCGOVFJUYWITH-LOWVWBTDSA-N	0	0	198.350	3.466	10	0		AGAERN
COC(=O)[C@@H]1CCC[C@H](C)[C@@H](C)CC1	32216972	571970779	/nfs/dbraw/zinc/97/07/79/571970779.db2.gz	CDNUCKKSTZFTEG-GARJFASQSA-N	0	0	198.306	3.012	10	0		AGAERN
CC[C@@H](C)[C@@H](C)n1cccc1	42558320	572034970	/nfs/dbraw/zinc/03/49/70/572034970.db2.gz	LVSITLLSTLVZLC-NXEZZACHSA-N	0	0	151.253	3.095	10	0		AGAERN
CCc1cc2ccccc2c(Cl)n1	32224239	571973491	/nfs/dbraw/zinc/97/34/91/571973491.db2.gz	AECOSEZBHCJUTO-UHFFFAOYSA-N	0	0	191.661	3.451	10	0		AGAERN
CC1=CCC[C@]2(C)C(=O)CCC[C@@H]12	196430247	571973846	/nfs/dbraw/zinc/97/38/46/571973846.db2.gz	YZACMEAWVUXCNY-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
CSc1cccc2cccc(N)c12	32223804	571973847	/nfs/dbraw/zinc/97/38/47/571973847.db2.gz	MJTAJBPKKFTZHV-UHFFFAOYSA-N	0	0	189.283	3.144	10	0		AGAERN
CC[C@]1(C)CC[C@H](O)C[C@@H]1C(C)C	32225837	571974199	/nfs/dbraw/zinc/97/41/99/571974199.db2.gz	CTKVDOQLOAITKR-QJPTWQEYSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1sc(N)cc1CC1CCCC1	139768286	571974218	/nfs/dbraw/zinc/97/42/18/571974218.db2.gz	GNEKEMPHWJSLPY-UHFFFAOYSA-N	0	0	195.331	3.371	10	0		AGAERN
CC1(C)C(=O)CCC2=C1CCCC2	32220909	571974244	/nfs/dbraw/zinc/97/42/44/571974244.db2.gz	LQOBSLHZHXWKAO-UHFFFAOYSA-N	0	0	178.275	3.246	10	0		AGAERN
Cc1ccc(-c2ccccc2C)[nH]1	41168419	571979383	/nfs/dbraw/zinc/97/93/83/571979383.db2.gz	RMGGOVXLLYBSHV-UHFFFAOYSA-N	0	0	171.243	3.299	10	0		AGAERN
CC[C@H](C)[C@H](O)[C@@H](C)CC(C)C	300830781	571979407	/nfs/dbraw/zinc/97/94/07/571979407.db2.gz	BZKQZSOHGWBHLO-DCAQKATOSA-N	0	0	172.312	3.076	10	0		AGAERN
CSC[C@H](C)CNc1ccccc1	300838636	571979414	/nfs/dbraw/zinc/97/94/14/571979414.db2.gz	GHSKZSGITRBJNF-SNVBAGLBSA-N	0	0	195.331	3.098	10	0		AGAERN
CC(C)CC[C@H](CO)c1ccccc1	81136541	571979910	/nfs/dbraw/zinc/97/99/10/571979910.db2.gz	YSXYVKSGEPXTOW-CYBMUJFWSA-N	0	0	192.302	3.199	10	0		AGAERN
CC[C@H](C)[C@@H](O)[C@@H](C)CC(C)C	300830783	571979984	/nfs/dbraw/zinc/97/99/84/571979984.db2.gz	BZKQZSOHGWBHLO-GARJFASQSA-N	0	0	172.312	3.076	10	0		AGAERN
C/C=C\CC/C=C/CCC(C)=O	81130338	571980001	/nfs/dbraw/zinc/98/00/01/571980001.db2.gz	NQVBDTYIJUEQLV-ODYTWBPASA-N	0	0	166.264	3.268	10	0		AGAERN
CC(C)C[C@@H](C)CC(=O)C(F)(F)F	300840171	571980697	/nfs/dbraw/zinc/98/06/97/571980697.db2.gz	DCOWNXMUVMBGEM-SSDOTTSWSA-N	0	0	196.212	3.190	10	0		AGAERN
CCCC[C@H](C)[C@@H](O)Cc1ccco1	300909408	572043652	/nfs/dbraw/zinc/04/36/52/572043652.db2.gz	JWRKSRPFNNJERZ-JQWIXIFHSA-N	0	0	196.290	3.009	10	0		AGAERN
Cc1ccc(C)c(-c2nccs2)c1	41204786	571981066	/nfs/dbraw/zinc/98/10/66/571981066.db2.gz	MJOGDHJLDYCEMS-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
Cc1ccc(-c2nccs2)c(C)c1	41204788	571981153	/nfs/dbraw/zinc/98/11/53/571981153.db2.gz	HWXSZMWVVWRSTC-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
Cc1ccc(-c2nccs2)cc1C	41204784	571981189	/nfs/dbraw/zinc/98/11/89/571981189.db2.gz	YBRCQTFCZXPLFP-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
CC[C@@]1(C)CNc2c(F)cc(F)cc21	233998061	571981232	/nfs/dbraw/zinc/98/12/32/571981232.db2.gz	LLAKKDAXXXTTLW-NSHDSACASA-N	0	0	197.228	3.058	10	0		AGAERN
CC(C)C[C@H](C)CCC(=O)C1CC1	300843344	571983181	/nfs/dbraw/zinc/98/31/81/571983181.db2.gz	DLLPTZGXKGOMGL-SNVBAGLBSA-N	0	0	182.307	3.428	10	0		AGAERN
Cc1cc(C)c([C@@H](C)CCO)c(C)c1	41206071	571983943	/nfs/dbraw/zinc/98/39/43/571983943.db2.gz	QKLLFXBLDOZXSK-JTQLQIEISA-N	0	0	192.302	3.098	10	0		AGAERN
CC(C)C[C@@H](C)[C@@H](O)c1ccsc1	300853728	571986501	/nfs/dbraw/zinc/98/65/01/571986501.db2.gz	FQFXLFLQVMSBPJ-MWLCHTKSSA-N	0	0	198.331	3.464	10	0		AGAERN
CC(=O)C1(C[C@H](C)CC(C)C)CC1	300851948	571986521	/nfs/dbraw/zinc/98/65/21/571986521.db2.gz	FJMCCNKZCXMCTJ-SNVBAGLBSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(CC)[C@@H](O)[C@@H](C)CC(C)C	300851237	571986526	/nfs/dbraw/zinc/98/65/26/571986526.db2.gz	FIIKKNRRDIRJMV-JQWIXIFHSA-N	0	0	186.339	3.466	10	0		AGAERN
Cc1cscc1-c1ccc(F)nc1	13607096	571987535	/nfs/dbraw/zinc/98/75/35/571987535.db2.gz	KEERDUCTIKTUOE-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
CC(C)C(C)(C)C[C@H]1CCC[C@H]1O	713180969	571995384	/nfs/dbraw/zinc/99/53/84/571995384.db2.gz	CTJFLOBUKLEICO-GHMZBOCLSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C1=N[C@@]1(C)c1ccccc1	39104647	571992958	/nfs/dbraw/zinc/99/29/58/571992958.db2.gz	IWFHJDFPMHVIRP-LBPRGKRZSA-N	0	0	173.259	3.012	10	0		AGAERN
CCC[C@@]1(CC)CCCCC1=O	140068662	571993029	/nfs/dbraw/zinc/99/30/29/571993029.db2.gz	RHDCBZMQAWQVJW-NSHDSACASA-N	0	0	168.280	3.326	10	0		AGAERN
CCCC[C@@H](C)[C@@H](O)C1=CCCC1	300864914	571993325	/nfs/dbraw/zinc/99/33/25/571993325.db2.gz	CYIZCULZHRKXMP-ZYHUDNBSSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)C(C)(C)C[C@@H]1CCC[C@H]1O	713180977	571994203	/nfs/dbraw/zinc/99/42/03/571994203.db2.gz	CTJFLOBUKLEICO-WDEREUQCSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC[C@]1(CC)CCCCC1=O	140068524	571994245	/nfs/dbraw/zinc/99/42/45/571994245.db2.gz	RHDCBZMQAWQVJW-LLVKDONJSA-N	0	0	168.280	3.326	10	0		AGAERN
CC[C@@H](C)CC(=O)c1cc(C)ccn1	82643474	572079260	/nfs/dbraw/zinc/07/92/60/572079260.db2.gz	BXZDDZJSKPUMFY-SECBINFHSA-N	0	0	191.274	3.009	10	0		AGAERN
CC(C)C(C)(C)C[C@@H]1CCC[C@@H]1O	713180973	571994294	/nfs/dbraw/zinc/99/42/94/571994294.db2.gz	CTJFLOBUKLEICO-QWRGUYRKSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@@H](C)C[C@@](N)(CC)C(F)(F)F	82670795	572083376	/nfs/dbraw/zinc/08/33/76/572083376.db2.gz	CVSJALZCTPWBCC-SFYZADRCSA-N	0	0	197.244	3.092	10	0		AGAERN
CCCC[C@@H](C)[C@H](O)C1CCCC1	300869631	571995368	/nfs/dbraw/zinc/99/53/68/571995368.db2.gz	DNDCQUSYIGOGSS-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)[C@@]1(C)CC[C@H](C)CC1=O	139964789	571992261	/nfs/dbraw/zinc/99/22/61/571992261.db2.gz	PFXHRFGMSHIJQV-GXSJLCMTSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(C)(C)C[C@H]1CCCC[C@@H]1O	713180953	571995413	/nfs/dbraw/zinc/99/54/13/571995413.db2.gz	CQOYLMXLJFPKGL-MNOVXSKESA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@H](O)[C@H](C)CC(C)C	300873175	571995459	/nfs/dbraw/zinc/99/54/59/571995459.db2.gz	HVFVMTJOSQKZFS-MNOVXSKESA-N	0	0	172.312	3.220	10	0		AGAERN
CCCC[C@@H](O)[C@H](C)CC(C)C	300873174	571995470	/nfs/dbraw/zinc/99/54/70/571995470.db2.gz	HVFVMTJOSQKZFS-GHMZBOCLSA-N	0	0	172.312	3.220	10	0		AGAERN
CC(C)(C)CCCC1=C[C@H](O)CC1	300866413	571996641	/nfs/dbraw/zinc/99/66/41/571996641.db2.gz	MQCWYULXSSWJMN-LLVKDONJSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)C(C)(C)CC[C@H](O)C1CC1	713182501	571996650	/nfs/dbraw/zinc/99/66/50/571996650.db2.gz	KFKSLQMWYJKVSS-NSHDSACASA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H](O)[C@@H](C)CC(C)(C)CC	713182037	571996728	/nfs/dbraw/zinc/99/67/28/571996728.db2.gz	INURGWJGCSTXDG-UWVGGRQHSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCC[C@H](C)[C@H](O)C1CCCC1	300869630	571996838	/nfs/dbraw/zinc/99/68/38/571996838.db2.gz	DNDCQUSYIGOGSS-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCCC[C@@H](O)CC(C)(C)C	68847940	571998324	/nfs/dbraw/zinc/99/83/24/571998324.db2.gz	AOAYKSHOGUMPOB-SNVBAGLBSA-N	0	0	172.312	3.364	10	0		AGAERN
CC[C@H](C)C[C@@H](O)[C@@H](C)CC(C)C	300879424	572002177	/nfs/dbraw/zinc/00/21/77/572002177.db2.gz	IQCNVZNCSHUXML-SDDRHHMPSA-N	0	0	186.339	3.466	10	0		AGAERN
CCCC[C@@H](O)c1ccccc1C	34179755	572003184	/nfs/dbraw/zinc/00/31/84/572003184.db2.gz	WKDAILBYVOSSQF-GFCCVEGCSA-N	0	0	178.275	3.219	10	0		AGAERN
C1=C[C@@H]2S[C@@H]3C=CCC[C@@H]3[C@@H]2C=C1	98187502	572003765	/nfs/dbraw/zinc/00/37/65/572003765.db2.gz	RXSLLSDQGQAJHM-WHOHXGKFSA-N	0	0	190.311	3.179	10	0		AGAERN
CCOCSCCCC(C)C	393451147	572003766	/nfs/dbraw/zinc/00/37/66/572003766.db2.gz	FLHLKHJDOLUCCC-UHFFFAOYSA-N	0	0	176.325	3.150	10	0		AGAERN
CC(C)CC[C@@H](O)c1ccccc1	34618381	572003833	/nfs/dbraw/zinc/00/38/33/572003833.db2.gz	CQGNELSSDLGEQT-GFCCVEGCSA-N	0	0	178.275	3.156	10	0		AGAERN
C=Cc1cc2ccoc2cc1OC	14513129	572006425	/nfs/dbraw/zinc/00/64/25/572006425.db2.gz	NOUMOQUWJXHYBN-UHFFFAOYSA-N	0	0	174.199	3.084	10	0		AGAERN
C[C@@H](c1ccc(F)cc1)n1cccc1	42207738	572008506	/nfs/dbraw/zinc/00/85/06/572008506.db2.gz	WOMCPWVJHISCPD-JTQLQIEISA-N	0	0	189.233	3.237	10	0		AGAERN
CC[C@@H](C)CC[C@@H](O)CC(C)C	82080639	572014988	/nfs/dbraw/zinc/01/49/88/572014988.db2.gz	AVYRIYCVMVAMCW-GHMZBOCLSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@H](C)CC[C@H](O)CC(C)C	82080638	572016149	/nfs/dbraw/zinc/01/61/49/572016149.db2.gz	AVYRIYCVMVAMCW-QWRGUYRKSA-N	0	0	172.312	3.220	10	0		AGAERN
Clc1cc2c(Cl)ccnc2o1	219674794	572020287	/nfs/dbraw/zinc/02/02/87/572020287.db2.gz	HFIUWEOTHKFSAG-UHFFFAOYSA-N	0	0	188.013	3.135	10	0		AGAERN
CSC[C@@H](C)Cn1c(C)ccc1C	69014751	572022347	/nfs/dbraw/zinc/02/23/47/572022347.db2.gz	ZMBQOASEQIXGOC-VIFPVBQESA-N	0	0	197.347	3.104	10	0		AGAERN
CCC(=O)O[C@@H](C)CCC=C(C)C	33608428	572026161	/nfs/dbraw/zinc/02/61/61/572026161.db2.gz	QTQUCFACVUKEDR-JTQLQIEISA-N	0	0	184.279	3.075	10	0		AGAERN
Cc1ccc2c(C)n(C(C)C)nc2c1	219686041	572031470	/nfs/dbraw/zinc/03/14/70/572031470.db2.gz	LPOLMOWVDUAHHQ-UHFFFAOYSA-N	0	0	188.274	3.234	10	0		AGAERN
CC[C@H](C)C[C@@H](CC)Nc1cn[nH]c1	35763733	572035042	/nfs/dbraw/zinc/03/50/42/572035042.db2.gz	MZUIRYSCKLBRSO-VHSXEESVSA-N	0	0	195.310	3.036	10	0		AGAERN
CCO[C@@H]1CCCC[C@H]1C(C)C	33992195	572048424	/nfs/dbraw/zinc/04/84/24/572048424.db2.gz	XGVWNKVLHIGQSL-WDEREUQCSA-N	0	0	170.296	3.238	10	0		AGAERN
CCCC[C@@H](CC)[C@H](O)c1ccc[nH]1	82564343	572053132	/nfs/dbraw/zinc/05/31/32/572053132.db2.gz	AQWZDTJAOYUGDJ-PWSUYJOCSA-N	0	0	195.306	3.265	10	0		AGAERN
CC[C@@H](C)c1c(C)cccc1O	34091876	572055632	/nfs/dbraw/zinc/05/56/32/572055632.db2.gz	HJTYTQMDURMEKI-MRVPVSSYSA-N	0	0	164.248	3.214	10	0		AGAERN
CCc1cc(OC(C)C)ccc1NC	71463458	572058825	/nfs/dbraw/zinc/05/88/25/572058825.db2.gz	WGVOFTAXSLVVOZ-UHFFFAOYSA-N	0	0	193.290	3.078	10	0		AGAERN
CCNc1c(C)c(C)cc(C)c1C	71463257	572058859	/nfs/dbraw/zinc/05/88/59/572058859.db2.gz	CXLKFZTVLFWODN-UHFFFAOYSA-N	0	0	177.291	3.352	10	0		AGAERN
CC[C@@H](C)Sc1ccc(CO)cc1	82616507	572073372	/nfs/dbraw/zinc/07/33/72/572073372.db2.gz	ZYKXUIPNJHKBMF-SECBINFHSA-N	0	0	196.315	3.070	10	0		AGAERN
C/C=C\c1ccccc1Br	79468966	572080476	/nfs/dbraw/zinc/08/04/76/572080476.db2.gz	IPDBNWOEFLIODE-DJWKRKHSSA-N	0	0	197.075	3.482	10	0		AGAERN
CCCCCc1cc(Cl)cnc1N	69943726	572164825	/nfs/dbraw/zinc/16/48/25/572164825.db2.gz	ZYQLPDVZBNRKEI-UHFFFAOYSA-N	0	0	198.697	3.050	10	0		AGAERN
CC[C@H](C)CC(=O)CC(C)(C)C	82673527	572083451	/nfs/dbraw/zinc/08/34/51/572083451.db2.gz	RQFWQDGKPZOIQT-VIFPVBQESA-N	0	0	170.296	3.428	10	0		AGAERN
CCc1ccccc1[C@H](O)CC(C)C	82677927	572083480	/nfs/dbraw/zinc/08/34/80/572083480.db2.gz	NOIFVCLCHFPTQZ-CYBMUJFWSA-N	0	0	192.302	3.329	10	0		AGAERN
CCC[C@@H](C)C[C@H](O)c1ccoc1	69946206	572164859	/nfs/dbraw/zinc/16/48/59/572164859.db2.gz	LNQLEJAGLSOVOR-KOLCDFICSA-N	0	0	182.263	3.139	10	0		AGAERN
CCC[C@H](C)[C@H](O)c1cccc(C)c1	82679779	572085318	/nfs/dbraw/zinc/08/53/18/572085318.db2.gz	GLQWGUUQTJYANA-AAEUAGOBSA-N	0	0	192.302	3.465	10	0		AGAERN
Cc1cc2cc(F)ccc2s1	34489276	572085330	/nfs/dbraw/zinc/08/53/30/572085330.db2.gz	FAVZUSYZFCINCB-UHFFFAOYSA-N	0	0	166.220	3.349	10	0		AGAERN
CCC[C@@H](C)[C@@H](O)c1cccc(C)c1	82679780	572086155	/nfs/dbraw/zinc/08/61/55/572086155.db2.gz	GLQWGUUQTJYANA-DGCLKSJQSA-N	0	0	192.302	3.465	10	0		AGAERN
CC(C)C[C@H](O)[C@@H](C)c1ccccc1	82679695	572086167	/nfs/dbraw/zinc/08/61/67/572086167.db2.gz	HNDSMPYCJAFBKU-AAEUAGOBSA-N	0	0	192.302	3.197	10	0		AGAERN
CC[C@H](C)c1cccc(C=O)c1C	34318682	572072936	/nfs/dbraw/zinc/07/29/36/572072936.db2.gz	OQXKKDDQXGOBCD-VIFPVBQESA-N	0	0	176.259	3.321	10	0		AGAERN
C=C(c1ccccc1)c1ccc[nH]1	34513909	572087790	/nfs/dbraw/zinc/08/77/90/572087790.db2.gz	ZZVVTGUCFOCJBZ-UHFFFAOYSA-N	0	0	169.227	3.076	10	0		AGAERN
O[C@@H](C1CCCCC1)[C@@H]1C=CCCC1	34501174	572087831	/nfs/dbraw/zinc/08/78/31/572087831.db2.gz	VOAXLNFHZPIOPH-DGCLKSJQSA-N	0	0	194.318	3.284	10	0		AGAERN
Oc1ccc([C@@H]2C=CSCC2)cc1	34500954	572088184	/nfs/dbraw/zinc/08/81/84/572088184.db2.gz	OPLQKHHZVHDTAX-SNVBAGLBSA-N	0	0	192.283	3.126	10	0		AGAERN
CCCC[C@]12C=C[C@H](CCC1=O)C2	34513119	572088282	/nfs/dbraw/zinc/08/82/82/572088282.db2.gz	NSUAOSVIFPSCML-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)C1(C(C)C)CCCC1=O	34514135	572088655	/nfs/dbraw/zinc/08/86/55/572088655.db2.gz	GFMPLTZAVLRJSS-UHFFFAOYSA-N	0	0	168.280	3.038	10	0		AGAERN
Oc1ccccc1CC1=CCCCC1	34562498	572092636	/nfs/dbraw/zinc/09/26/36/572092636.db2.gz	OOQZOUBFDUCKNO-UHFFFAOYSA-N	0	0	188.270	3.435	10	0		AGAERN
CC(=O)CCC[C@@H]1CCC(F)(F)C1	300935106	572092645	/nfs/dbraw/zinc/09/26/45/572092645.db2.gz	MRQHXBPARYUVHB-SECBINFHSA-N	0	0	190.233	3.181	10	0		AGAERN
CSCc1cccc(C(C)C)c1N	34568452	572096245	/nfs/dbraw/zinc/09/62/45/572096245.db2.gz	OGEIJQCWNUTOEW-UHFFFAOYSA-N	0	0	195.331	3.255	10	0		AGAERN
CC(C)C[C@H](O)[C@H](C)CC(C)C	300936496	572100548	/nfs/dbraw/zinc/10/05/48/572100548.db2.gz	OHEYTKFSUNNJKM-MNOVXSKESA-N	0	0	172.312	3.076	10	0		AGAERN
CCC[NH2+][C@H](C)c1cccc([S-])c1	82761765	572100570	/nfs/dbraw/zinc/10/05/70/572100570.db2.gz	YSAWQSIRHPIZCZ-SECBINFHSA-N	0	0	195.331	3.036	10	0		AGAERN
CC(C)CCCC(=O)C(C)C	37117012	572100574	/nfs/dbraw/zinc/10/05/74/572100574.db2.gz	JEYMFZOXYUHOGF-UHFFFAOYSA-N	0	0	156.269	3.038	10	0		AGAERN
CCC[C@H]1CCCCCCCC(=O)N1	34622486	572103365	/nfs/dbraw/zinc/10/33/65/572103365.db2.gz	KUNLVVAAJDYPIH-NSHDSACASA-N	0	0	197.322	3.016	10	0		AGAERN
CC(=O)c1ccccc1OC(C)(C)C	20516918	572224906	/nfs/dbraw/zinc/22/49/06/572224906.db2.gz	FBPPCRBANORAKX-UHFFFAOYSA-N	0	0	192.258	3.067	10	0		AGAERN
Fc1cccc2c1N[C@H]1CCCC[C@@H]21	71484343	572108218	/nfs/dbraw/zinc/10/82/18/572108218.db2.gz	HHHLDMGODXRMGA-KWQFWETISA-N	0	0	191.249	3.277	10	0		AGAERN
CCc1cccc2c1N[C@@H](C)[C@@H]2C	71484468	572108246	/nfs/dbraw/zinc/10/82/46/572108246.db2.gz	GWVXCVDSEGDSCD-IUCAKERBSA-N	0	0	175.275	3.167	10	0		AGAERN
CC(C)(C)/C=C/[C@@H](O)c1ccccc1	196194832	572120903	/nfs/dbraw/zinc/12/09/03/572120903.db2.gz	HNXOWHYFHSCBLH-BZYZDCJZSA-N	0	0	190.286	3.322	10	0		AGAERN
CC[C@@H](CC1CC1)n1cccc1	69669637	572132410	/nfs/dbraw/zinc/13/24/10/572132410.db2.gz	CGDVNBKHSLWSLH-NSHDSACASA-N	0	0	163.264	3.239	10	0		AGAERN
CCC(CC)[C@H](O)[C@H]1CC[C@H](C)C1	87169621	572395186	/nfs/dbraw/zinc/39/51/86/572395186.db2.gz	SCTSWXBMVXOIKX-DLOVCJGASA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@H]1CC[C@H](C)[C@](O)(C2CCCC2)C1	82861579	572157461	/nfs/dbraw/zinc/15/74/61/572157461.db2.gz	GZJOOWYMPPRZTG-GVXVVHGQSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@H]1CCC[C@@](O)(C2CCCC2)[C@@H]1C	82861197	572157486	/nfs/dbraw/zinc/15/74/86/572157486.db2.gz	LQVXJOAQWGJKSW-LOWVWBTDSA-N	0	0	196.334	3.364	10	0		AGAERN
CCc1ccccc1O[C@@H](C)CC	82865320	572161700	/nfs/dbraw/zinc/16/17/00/572161700.db2.gz	YFTAERPTSASFNV-JTQLQIEISA-N	0	0	178.275	3.426	10	0		AGAERN
CC(C)(C)CCCc1cccnc1N	69944238	572162831	/nfs/dbraw/zinc/16/28/31/572162831.db2.gz	USDKQKOSWYCMGV-UHFFFAOYSA-N	0	0	192.306	3.033	10	0		AGAERN
C[C@@H]1CCC[C@@](O)(CCC2CC2)[C@@H]1C	235298943	572676413	/nfs/dbraw/zinc/67/64/13/572676413.db2.gz	VPVRTIQZEUKDBB-NQBHXWOUSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC[C@H](C)CC(=O)c1ccoc1	69946140	572164236	/nfs/dbraw/zinc/16/42/36/572164236.db2.gz	VVCSVGRWMFIUNU-VIFPVBQESA-N	0	0	180.247	3.289	10	0		AGAERN
CCCCCCn1cc[nH]c1=S	70020194	572166352	/nfs/dbraw/zinc/16/63/52/572166352.db2.gz	RCJRHCFNVBGSRP-UHFFFAOYSA-N	0	0	184.308	3.126	10	0		AGAERN
CCCCCC(=O)[C@H]1CCCS1	69984721	572166375	/nfs/dbraw/zinc/16/63/75/572166375.db2.gz	DSHAMEKRWXJDET-SNVBAGLBSA-N	0	0	186.320	3.031	10	0		AGAERN
CC(C)C[C@@H](C)C[C@H](O)C1CCC1	300967704	572187269	/nfs/dbraw/zinc/18/72/69/572187269.db2.gz	RSCUBJKDZWFXMI-PWSUYJOCSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC[C@@H](O)C[C@H](C)CC(C)C	300970072	572192507	/nfs/dbraw/zinc/19/25/07/572192507.db2.gz	SAGAJDTZZVJXHD-GHMZBOCLSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@@]1(O)CCC[C@@H](CC)C1	70652029	572720679	/nfs/dbraw/zinc/72/06/79/572720679.db2.gz	DXVVWCAMNSCGPR-GHMZBOCLSA-N	0	0	170.296	3.118	10	0		AGAERN
O[C@@H]1CCCCc2ccc(Cl)cc21	19727037	572195337	/nfs/dbraw/zinc/19/53/37/572195337.db2.gz	OHGLRPDNLOLCBI-LLVKDONJSA-N	0	0	196.677	3.100	10	0		AGAERN
C/C=C\[C@H](O)C1=CCCCC1(C)C	308116574	572761268	/nfs/dbraw/zinc/76/12/68/572761268.db2.gz	ALXIBTVINABMPN-IBHLPDHGSA-N	0	0	180.291	3.060	10	0		AGAERN
Cn1c(C(F)(F)F)cc2ccccc21	36404860	572207237	/nfs/dbraw/zinc/20/72/37/572207237.db2.gz	ZSULBIXBFIVXPQ-UHFFFAOYSA-N	0	0	199.175	3.197	10	0		AGAERN
CC(C)C(C)(C)C[C@]1(O)CC[C@H]1C	713229211	572208635	/nfs/dbraw/zinc/20/86/35/572208635.db2.gz	MHVDQRKVPXRERN-ZYHUDNBSSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@@H]1CC[C@H](O)[C@H](CC2CCCC2)C1	43660422	572208747	/nfs/dbraw/zinc/20/87/47/572208747.db2.gz	IPBXKLMERCFWRC-WXHSDQCUSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC(C)(C)C[C@H](O)[C@@H]1C[C@H]1C1CC1	713229225	572209109	/nfs/dbraw/zinc/20/91/09/572209109.db2.gz	MKPONUSVESGSFJ-TUAOUCFPSA-N	0	0	196.334	3.220	10	0		AGAERN
CC(C)C(C)(C)C[C@](C)(O)C(C)C	713229483	572209979	/nfs/dbraw/zinc/20/99/79/572209979.db2.gz	NQGLXSNAKXRKIS-LBPRGKRZSA-N	0	0	186.339	3.466	10	0		AGAERN
CC(C)C(C)(C)C[C@@H](O)C1CCC1	713230308	572214014	/nfs/dbraw/zinc/21/40/14/572214014.db2.gz	SOECDPTUJCXIAV-LLVKDONJSA-N	0	0	184.323	3.220	10	0		AGAERN
S=c1[nH]c2ccccc2n1C1CC1	20584435	572224988	/nfs/dbraw/zinc/22/49/88/572224988.db2.gz	YXXJNROPQLCKCQ-UHFFFAOYSA-N	0	0	190.271	3.034	10	0		AGAERN
CC(C)C[C@@H](C)[C@@H](O)c1cccs1	300989519	572225009	/nfs/dbraw/zinc/22/50/09/572225009.db2.gz	VJSWXACUYYOGNI-MWLCHTKSSA-N	0	0	198.331	3.464	10	0		AGAERN
CC(=O)c1cc2cc[nH]c2cc1Cl	113167171	572233224	/nfs/dbraw/zinc/23/32/24/572233224.db2.gz	XQKXBZYEEHLFSN-UHFFFAOYSA-N	0	0	193.633	3.024	10	0		AGAERN
CC[C@H](CCc1ccsc1)C(C)=O	70543650	572233259	/nfs/dbraw/zinc/23/32/59/572233259.db2.gz	RCUDIKPWUOVQBI-LLVKDONJSA-N	0	0	196.315	3.296	10	0		AGAERN
CC(C)=C[C@@H](O)C(C(C)C)C(C)C	308199195	572927654	/nfs/dbraw/zinc/92/76/54/572927654.db2.gz	UAAXLVYDKSXICY-LLVKDONJSA-N	0	0	184.323	3.242	10	0		AGAERN
Cc1cnc2cc(C)c(C)cc2c1	39408316	572361451	/nfs/dbraw/zinc/36/14/51/572361451.db2.gz	PMONDTFKCNFXFC-UHFFFAOYSA-N	0	0	171.243	3.160	10	0		AGAERN
CCC[C@@H](O)CCC(CC)CC	87175049	572387887	/nfs/dbraw/zinc/38/78/87/572387887.db2.gz	ARHKZPFODFPRFC-LLVKDONJSA-N	0	0	172.312	3.364	10	0		AGAERN
C=C/C=C/CCC(=O)[C@]1(C)C[C@@H]1C	713700549	572387903	/nfs/dbraw/zinc/38/79/03/572387903.db2.gz	LFGIYBVAJDRKQH-SKNSLPIRSA-N	0	0	178.275	3.124	10	0		AGAERN
CCC(CC)C(CC)(CC)CO	87176143	572388717	/nfs/dbraw/zinc/38/87/17/572388717.db2.gz	VEYWCGNHMRCCFJ-UHFFFAOYSA-N	0	0	172.312	3.221	10	0		AGAERN
CCCCCC[C@H]1CC(C)=C[C@H](O)O1	238226204	572388741	/nfs/dbraw/zinc/38/87/41/572388741.db2.gz	XANCNSHDNINJOK-NWDGAFQWSA-N	0	0	198.306	3.010	10	0		AGAERN
CC[C@H]1CC[C@H](C(=O)CC2CC2)C1	83792948	572414608	/nfs/dbraw/zinc/41/46/08/572414608.db2.gz	KMJVITKKIDFEBU-ONGXEEELSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@@H]1CC[C@H]([C@H](O)CC(C)C)C1	83799401	572415351	/nfs/dbraw/zinc/41/53/51/572415351.db2.gz	IFDAJKGJVXASPO-GRYCIOLGSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC[C@@H](CC(C)=O)C(C)C	238794919	572417169	/nfs/dbraw/zinc/41/71/69/572417169.db2.gz	BKGSJAFZHVEDTI-JTQLQIEISA-N	0	0	156.269	3.038	10	0		AGAERN
CC[C@@H]1CC[C@@H](C(=O)CC2CC2)C1	83792950	572417182	/nfs/dbraw/zinc/41/71/82/572417182.db2.gz	KMJVITKKIDFEBU-MWLCHTKSSA-N	0	0	180.291	3.182	10	0		AGAERN
CCCO[P@@](=O)(/C=C/Cl)CC	238254394	572460872	/nfs/dbraw/zinc/46/08/72/572460872.db2.gz	ZSJQNMWCHHEYAV-OKPNEXGHSA-N	0	0	196.614	3.421	10	0		AGAERN
Cc1cccc(C(=O)CCC2CC2)c1	83935580	572460874	/nfs/dbraw/zinc/46/08/74/572460874.db2.gz	OFQNJUQBMALKIN-UHFFFAOYSA-N	0	0	188.270	3.368	10	0		AGAERN
CCCC[C@](F)(CO)c1ccccc1	238253995	572460950	/nfs/dbraw/zinc/46/09/50/572460950.db2.gz	NGYVPCLIMMGMIT-LBPRGKRZSA-N	0	0	196.265	3.034	10	0		AGAERN
CCC=C=C(C)C[C@@H](O)CCC	238261650	572483361	/nfs/dbraw/zinc/48/33/61/572483361.db2.gz	VTMSSIOJENMSBU-LYNSQETBSA-N	0	0	168.280	3.049	10	0		AGAERN
CCCCc1cc(C)cc(O)c1	141492228	572486626	/nfs/dbraw/zinc/48/66/26/572486626.db2.gz	DHXKZPVBBXGRIG-UHFFFAOYSA-N	0	0	164.248	3.043	10	0		AGAERN
CC[C@@H](O)C/C=C/C[Si](C)(C)C	238267229	572486638	/nfs/dbraw/zinc/48/66/38/572486638.db2.gz	NMXDXYAMHPKXEF-VQCYPWCPSA-N	0	0	186.371	3.042	10	0		AGAERN
CC1=CCC[C@@H]2CC(=O)CC[C@]12C	238257806	573047212	/nfs/dbraw/zinc/04/72/12/573047212.db2.gz	SBERBBDKRTZZIT-ZYHUDNBSSA-N	0	0	178.275	3.102	10	0		AGAERN
C=CO[C@@H]1CCCC[C@H]1CC	85503352	573051982	/nfs/dbraw/zinc/05/19/82/573051982.db2.gz	AHZGYXDMGPGESL-NXEZZACHSA-N	0	0	154.253	3.115	10	0		AGAERN
CCCc1cc(C(C)C)nc(Cl)n1	238274554	573059874	/nfs/dbraw/zinc/05/98/74/573059874.db2.gz	SHYYZZDPJUYMGM-UHFFFAOYSA-N	0	0	198.697	3.206	10	0		AGAERN
c1cc2ccc3ncsc3c2o1	45236049	572523615	/nfs/dbraw/zinc/52/36/15/572523615.db2.gz	LYXCJSUQOZLHNY-UHFFFAOYSA-N	0	0	175.212	3.043	10	0		AGAERN
CC[C@H](C)c1nnc([C@@H](C)CC)o1	308285101	573160007	/nfs/dbraw/zinc/16/00/07/573160007.db2.gz	AOTLQSCELKNLRL-YUMQZZPRSA-N	0	0	182.267	3.097	10	0		AGAERN
COCc1coc2cccc(Cl)c12	258558975	573160008	/nfs/dbraw/zinc/16/00/08/573160008.db2.gz	IEVNSDNGKIASCR-UHFFFAOYSA-N	0	0	196.633	3.233	10	0		AGAERN
CC/C=C\COC(=O)C[C@H](C)CCC	727043717	757483375	/nfs/dbraw/zinc/48/33/75/757483375.db2.gz	FITBTSNOQNGYMH-JMEBYUIHSA-N	0	0	198.306	3.322	10	0		AGAERN
CC/C=C\COC(=O)C[C@@H](C)CCC	727043721	757483588	/nfs/dbraw/zinc/48/35/88/757483588.db2.gz	FITBTSNOQNGYMH-ZADCQDASSA-N	0	0	198.306	3.322	10	0		AGAERN
CC/C=C/COC(=O)C[C@H](C)CCC	727043720	757483760	/nfs/dbraw/zinc/48/37/60/757483760.db2.gz	FITBTSNOQNGYMH-XUIVZRPNSA-N	0	0	198.306	3.322	10	0		AGAERN
CC/C=C/COC(=O)C[C@@H](C)CCC	727043718	757483849	/nfs/dbraw/zinc/48/38/49/757483849.db2.gz	FITBTSNOQNGYMH-MLRMMBSGSA-N	0	0	198.306	3.322	10	0		AGAERN
CC(C)CC(C)(C)C(=O)OC1CCC1	753409646	757484751	/nfs/dbraw/zinc/48/47/51/757484751.db2.gz	PNLJBJAHHUUVEY-UHFFFAOYSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC(C)(CC)C(=O)O[C@@H]1C=CCC1	768009334	757489089	/nfs/dbraw/zinc/48/90/89/757489089.db2.gz	HAHKWBXAZFTNEX-SNVBAGLBSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC(C)(CC)C(=O)O[C@H]1C=CCC1	768009333	757489181	/nfs/dbraw/zinc/48/91/81/757489181.db2.gz	HAHKWBXAZFTNEX-JTQLQIEISA-N	0	0	196.290	3.075	10	0		AGAERN
CCC1CCC([C@@H]2CCC[C@H]2O)CC1	82856283	573236156	/nfs/dbraw/zinc/23/61/56/573236156.db2.gz	UTXKKDHEZUTQNX-IFWUJCSASA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@H](O)[C@H]1CCC(C)=CC1(C)C	238314914	573238637	/nfs/dbraw/zinc/23/86/37/573238637.db2.gz	NIRNIAPBUQPCDY-MNOVXSKESA-N	0	0	182.307	3.140	10	0		AGAERN
Cc1ccc(SCC[C@H](C)F)nc1	308320992	573241984	/nfs/dbraw/zinc/24/19/84/573241984.db2.gz	BCZGVAAKRUHSIR-VIFPVBQESA-N	0	0	199.294	3.230	10	0		AGAERN
CCc1cc2c(F)ccc(C)c2[nH]1	238315854	573241985	/nfs/dbraw/zinc/24/19/85/573241985.db2.gz	ANKLJAIRGPFSKQ-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
CC(C)=C[C@H](O)c1ccc(F)c(C)c1	86019997	573234215	/nfs/dbraw/zinc/23/42/15/573234215.db2.gz	FNCCYALMMUVLHF-LBPRGKRZSA-N	0	0	194.249	3.134	10	0		AGAERN
CC[C@@H](C)Oc1cccc(C)c1	82865218	573251511	/nfs/dbraw/zinc/25/15/11/573251511.db2.gz	DKSLDFDKIYEFGU-SNVBAGLBSA-N	0	0	164.248	3.172	10	0		AGAERN
C[C@@H]1CCC[C@@](O)(C2=CCCCC2)C1	235298430	572676459	/nfs/dbraw/zinc/67/64/59/572676459.db2.gz	KOCBNGDXVYYKLR-YPMHNXCESA-N	0	0	194.318	3.428	10	0		AGAERN
O=C(CCC1CC1)[C@@H]1CCCCS1	87701826	572676540	/nfs/dbraw/zinc/67/65/40/572676540.db2.gz	PDZQKHRHEZWJCY-NSHDSACASA-N	0	0	198.331	3.031	10	0		AGAERN
CSCc1c[nH]c2cccc(C)c12	238376548	573388350	/nfs/dbraw/zinc/38/83/50/573388350.db2.gz	DATKDMOSNGIVIT-UHFFFAOYSA-N	0	0	191.299	3.339	10	0		AGAERN
Cc1cc([C@H]2C=CCC2)ccc1N	196867578	572701222	/nfs/dbraw/zinc/70/12/22/572701222.db2.gz	FNHJHQFBGVUTTG-JTQLQIEISA-N	0	0	173.259	3.011	10	0		AGAERN
CCC[C@H](O)C(C)(C)C(C)(C)C	308095677	572702018	/nfs/dbraw/zinc/70/20/18/572702018.db2.gz	YCMOVBMVQDXFAD-VIFPVBQESA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@@H](C)C(CO)[C@H](C)CCC	238246504	573485040	/nfs/dbraw/zinc/48/50/40/573485040.db2.gz	XTNDRRQPSVCHKA-GHMZBOCLSA-N	0	0	186.339	3.467	10	0		AGAERN
C[C@@H]1CC(=O)CC=C2CCCC[C@@H]21	238408444	573493516	/nfs/dbraw/zinc/49/35/16/573493516.db2.gz	UNERITMYWCKHAN-BXKDBHETSA-N	0	0	178.275	3.102	10	0		AGAERN
CCC[C@H]1C[C@H](C(C)C)CCC1=O	54629961	572706638	/nfs/dbraw/zinc/70/66/38/572706638.db2.gz	KDZRWMYJXRBGOH-MNOVXSKESA-N	0	0	182.307	3.428	10	0		AGAERN
CCCCCc1sc(NC)nc1C	258713055	573504801	/nfs/dbraw/zinc/50/48/01/573504801.db2.gz	HZAKDISCFUCIPE-UHFFFAOYSA-N	0	0	198.335	3.226	10	0		AGAERN
CC(C)CC1(O)CCC(C)(C)CC1	70654564	572720709	/nfs/dbraw/zinc/72/07/09/572720709.db2.gz	VOTMLDDYIUTYKW-UHFFFAOYSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)C(=O)[C@H](C)C(C)(C)C	238307548	573692961	/nfs/dbraw/zinc/69/29/61/573692961.db2.gz	WFIZQKNRPJNEIY-IUCAKERBSA-N	0	0	170.296	3.284	10	0		AGAERN
CCC[C@@]1(O)CCC[C@H](CC)C1	70652027	572720942	/nfs/dbraw/zinc/72/09/42/572720942.db2.gz	DXVVWCAMNSCGPR-WDEREUQCSA-N	0	0	170.296	3.118	10	0		AGAERN
Cc1ccc(-c2ncc(Cl)o2)s1	258511849	573736020	/nfs/dbraw/zinc/73/60/20/573736020.db2.gz	KZXQYXPJORXFQG-UHFFFAOYSA-N	0	0	199.662	3.365	10	0		AGAERN
CC(C)C[C@@H](C)Oc1cccc(N)c1	87800131	572721609	/nfs/dbraw/zinc/72/16/09/572721609.db2.gz	NRRFXQXZKBZZBE-SNVBAGLBSA-N	0	0	193.290	3.082	10	0		AGAERN
CC(C)[C@@H]1Nc2ccccc2C[C@@H]1C	70709925	572730052	/nfs/dbraw/zinc/73/00/52/572730052.db2.gz	KWUQCPNGFTYOKC-GWCFXTLKSA-N	0	0	189.302	3.315	10	0		AGAERN
C/C(=C/Cl)CCC(=O)C(C)C	307888267	572734155	/nfs/dbraw/zinc/73/41/55/572734155.db2.gz	ZHUNYPYNUCZSKC-VURMDHGXSA-N	0	0	174.671	3.134	10	0		AGAERN
CCCCCS[C@H]1CCCO1	307890086	572735921	/nfs/dbraw/zinc/73/59/21/572735921.db2.gz	YOLPWSWUVZWIFU-VIFPVBQESA-N	0	0	174.309	3.046	10	0		AGAERN
Cc1ccc(C)c(CC(=O)C(C)C)c1	49257674	572748244	/nfs/dbraw/zinc/74/82/44/572748244.db2.gz	OTGKRLUKXIQGNU-UHFFFAOYSA-N	0	0	190.286	3.071	10	0		AGAERN
CCCC[C@H](O)[C@H]1CC=CC[C@H]1C	308122087	572767826	/nfs/dbraw/zinc/76/78/26/572767826.db2.gz	MTNQASOQMBMTFT-WOPDTQHZSA-N	0	0	182.307	3.140	10	0		AGAERN
CCCC/C=C\[C@H](O)c1ccoc1	308123163	572767916	/nfs/dbraw/zinc/76/79/16/572767916.db2.gz	RGEKXQXGYZHIKS-GZTOBOFZSA-N	0	0	180.247	3.059	10	0		AGAERN
CCCC/C(=C\CC(C)C)CO	307935492	572793818	/nfs/dbraw/zinc/79/38/18/572793818.db2.gz	HTLDDKJCNRELGR-DHZHZOJOSA-N	0	0	170.296	3.141	10	0		AGAERN
CC[C@H](C)CC(=O)C1(CC)CC1	308132261	572793851	/nfs/dbraw/zinc/79/38/51/572793851.db2.gz	YEBUMSODKOJSGJ-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CC/C(C)=C(\CC)C/C=C/CO	307935498	572793967	/nfs/dbraw/zinc/79/39/67/572793967.db2.gz	HWEUJLYWHZCGMH-MVQNEBOGSA-N	0	0	168.280	3.062	10	0		AGAERN
Nc1cc(CC2CCCCC2)cs1	257563815	572794034	/nfs/dbraw/zinc/79/40/34/572794034.db2.gz	OGGAQLBBUMVLIR-UHFFFAOYSA-N	0	0	195.331	3.453	10	0		AGAERN
CCc1cnc2c(c1)CC[C@@H](C)[C@H]2C	49806507	572811289	/nfs/dbraw/zinc/81/12/89/572811289.db2.gz	GFXIHPWIZUROKH-NXEZZACHSA-N	0	0	189.302	3.330	10	0		AGAERN
CCc1cnc2cc(C)cc(C)c2c1	49806009	572811319	/nfs/dbraw/zinc/81/13/19/572811319.db2.gz	RWJSVIXMOZDQSB-UHFFFAOYSA-N	0	0	185.270	3.414	10	0		AGAERN
CCc1cnc2c(c1)C[C@@H](C)[C@@H](C)C2	49806515	572811330	/nfs/dbraw/zinc/81/13/30/572811330.db2.gz	AWFLKWBYMHXWFY-ZJUUUORDSA-N	0	0	189.302	3.015	10	0		AGAERN
Cc1ccc(C)n1NCCC(C)(C)C	85830022	572820455	/nfs/dbraw/zinc/82/04/55/572820455.db2.gz	YWJYDOMTBXEWKI-UHFFFAOYSA-N	0	0	194.322	3.085	10	0		AGAERN
C/C=C/C[C@@H]1C[C@H](CC)CC[C@H]1O	49852462	572820459	/nfs/dbraw/zinc/82/04/59/572820459.db2.gz	BFLWPBFDGZWPGM-MTZCQXGVSA-N	0	0	182.307	3.140	10	0		AGAERN
CC[C@@H]1CNc2cc(C)cc(C)c21	71486401	572830410	/nfs/dbraw/zinc/83/04/10/572830410.db2.gz	PQPHFUUFUYGYNV-SNVBAGLBSA-N	0	0	175.275	3.223	10	0		AGAERN
CC(C)[C@@H]1Cc2cc(Cl)ccc2N1	71484659	572830434	/nfs/dbraw/zinc/83/04/34/572830434.db2.gz	WPCGGLGSSWJMNJ-NSHDSACASA-N	0	0	195.693	3.333	10	0		AGAERN
O[C@@H](CC/C=C/Cl)c1ccccc1	236552008	572831010	/nfs/dbraw/zinc/83/10/10/572831010.db2.gz	WNPVAJAZRKHPOM-NKLKJHRZSA-N	0	0	196.677	3.253	10	0		AGAERN
CCC/C=C(\F)[C@@H]1CCC[C@H](O)C1	308149135	572839638	/nfs/dbraw/zinc/83/96/38/572839638.db2.gz	FREDNFFQIMTURN-DHNHEELESA-N	0	0	186.270	3.191	10	0		AGAERN
CC(C)C[C@H](C)[C@@](C)(O)CC(C)C	308177439	572902421	/nfs/dbraw/zinc/90/24/21/572902421.db2.gz	FYEITJWHMBQKTE-RYUDHWBXSA-N	0	0	186.339	3.466	10	0		AGAERN
O[C@@H](C1=CCCCCC1)C1CCCC1	50329636	572879640	/nfs/dbraw/zinc/87/96/40/572879640.db2.gz	ZAXJHVSYILWPQF-ZDUSSCGKSA-N	0	0	194.318	3.428	10	0		AGAERN
CCC[C@@H](O)CCC1(C)CCC1	307971428	572879657	/nfs/dbraw/zinc/87/96/57/572879657.db2.gz	XZHNAIBBULFYGQ-SNVBAGLBSA-N	0	0	170.296	3.118	10	0		AGAERN
O[C@H](C1=CCCCCC1)c1ccoc1	50329506	572879869	/nfs/dbraw/zinc/87/98/69/572879869.db2.gz	DFJYZOSKJJDWJI-GFCCVEGCSA-N	0	0	192.258	3.204	10	0		AGAERN
CC[C@H](C)c1ccc(C(=N)OC)cc1	77276382	572879916	/nfs/dbraw/zinc/87/99/16/572879916.db2.gz	OPWAGIFGVROPOA-VIFPVBQESA-N	0	0	191.274	3.172	10	0		AGAERN
C=CSc1nc(C(C)C)ccc1O	75598318	572879934	/nfs/dbraw/zinc/87/99/34/572879934.db2.gz	DARPEXDWZAEKCS-UHFFFAOYSA-N	0	0	195.287	3.146	10	0		AGAERN
CC[C@@H](c1ccccc1)[C@@H](O)C(C)C	86183085	572879946	/nfs/dbraw/zinc/87/99/46/572879946.db2.gz	IRCDZTGXHCSULI-STQMWFEESA-N	0	0	192.302	3.197	10	0		AGAERN
C[C@H](CO)C[C@H](C)C1CCCCC1	118865448	572895462	/nfs/dbraw/zinc/89/54/62/572895462.db2.gz	ZMIUGCJXPWEZRR-QWRGUYRKSA-N	0	0	184.323	3.221	10	0		AGAERN
CC(C)=CCC/C(=C/CO)C(C)C	308163957	572895469	/nfs/dbraw/zinc/89/54/69/572895469.db2.gz	PAKOVFNOCQGXAJ-WQLSENKSSA-N	0	0	182.307	3.308	10	0		AGAERN
CC/C=C/C/C=C/C=C/[C@H](O)CC	308163972	572895514	/nfs/dbraw/zinc/89/55/14/572895514.db2.gz	PDBYHPYMQJONTC-LEQRWSGBSA-N	0	0	180.291	3.226	10	0		AGAERN
c1cc2c(cc1C1CCCC1)OCO2	75840553	572902357	/nfs/dbraw/zinc/90/23/57/572902357.db2.gz	RCDABIGMMQBDFD-UHFFFAOYSA-N	0	0	190.242	3.073	10	0		AGAERN
CC(C)C[C@@H](C)[C@@](C)(O)CC(C)C	308177436	572902358	/nfs/dbraw/zinc/90/23/58/572902358.db2.gz	FYEITJWHMBQKTE-NEPJUHHUSA-N	0	0	186.339	3.466	10	0		AGAERN
CC(C)c1ccc(NC=O)cc1Cl	141217054	572923749	/nfs/dbraw/zinc/92/37/49/572923749.db2.gz	SIAITKXDBJNXPH-UHFFFAOYSA-N	0	0	197.665	3.032	10	0		AGAERN
CC(C)(C)C(=O)CCC1CCC1	86352726	572927015	/nfs/dbraw/zinc/92/70/15/572927015.db2.gz	VWKXUSOMYAZABJ-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCC(=O)CCCC(F)(F)F	86352609	572927022	/nfs/dbraw/zinc/92/70/22/572927022.db2.gz	AEGZXOJEMYZWDC-UHFFFAOYSA-N	0	0	182.185	3.088	10	0		AGAERN
CC(C)=CC[C@H](C)[C@H](C)/C=C/CO	308202373	572930941	/nfs/dbraw/zinc/93/09/41/572930941.db2.gz	QSBKNJOIMXYMJP-AIIUZBJTSA-N	0	0	182.307	3.163	10	0		AGAERN
CCCCCc1nnc([C@H](C)CC)o1	1117213392	757629540	/nfs/dbraw/zinc/62/95/40/757629540.db2.gz	HJGWUKVPPJFVDI-SECBINFHSA-N	0	0	196.294	3.316	10	0		AGAERN
CC(C)Cc1ccc2c(c1)C[C@H](C)N2	713780965	572933348	/nfs/dbraw/zinc/93/33/48/572933348.db2.gz	OQBHMDAANAFRKX-JTQLQIEISA-N	0	0	189.302	3.242	10	0		AGAERN
C/C=C/C=C/c1nnc([C@@H](C)CC)o1	1117211115	757630957	/nfs/dbraw/zinc/63/09/57/757630957.db2.gz	BQYKIJCZFALZRS-QNHJHJNCSA-N	0	0	192.262	3.172	10	0		AGAERN
CCC/C=C/C=C/C=C\[C@H](O)CC	308203940	572933894	/nfs/dbraw/zinc/93/38/94/572933894.db2.gz	GOPOSYACGMOYHJ-RCXCSSQKSA-N	0	0	180.291	3.226	10	0		AGAERN
C/C=C/C=C\c1nnc([C@H](C)CC)o1	1117211112	757631937	/nfs/dbraw/zinc/63/19/37/757631937.db2.gz	BQYKIJCZFALZRS-KNLJLUSBSA-N	0	0	192.262	3.172	10	0		AGAERN
CC1(CC[C@H](O)C2CC2)CCCC1	308204111	572933917	/nfs/dbraw/zinc/93/39/17/572933917.db2.gz	RRPVFODXLYCHNE-NSHDSACASA-N	0	0	182.307	3.118	10	0		AGAERN
CC(C)CCCC[C@@H](C)CCO	116790207	572933940	/nfs/dbraw/zinc/93/39/40/572933940.db2.gz	GSCYVZIYAQRZKG-LLVKDONJSA-N	0	0	172.312	3.221	10	0		AGAERN
CCCCCc1nnc([C@@H](C)CC)o1	1117213393	757633689	/nfs/dbraw/zinc/63/36/89/757633689.db2.gz	HJGWUKVPPJFVDI-VIFPVBQESA-N	0	0	196.294	3.316	10	0		AGAERN
CC(C)=C(Cl)CC/C(C)=C/CO	238115803	572937112	/nfs/dbraw/zinc/93/71/12/572937112.db2.gz	BMXKOKCAVUPSIA-RMKNXTFCSA-N	0	0	188.698	3.238	10	0		AGAERN
C/C=C/C=C\c1nnc([C@@H](C)CC)o1	1117211110	757634798	/nfs/dbraw/zinc/63/47/98/757634798.db2.gz	BQYKIJCZFALZRS-HFCJTVHMSA-N	0	0	192.262	3.172	10	0		AGAERN
CC(C)(C)/C=C/C[C@H](O)C(C)(C)C	238114925	572938489	/nfs/dbraw/zinc/93/84/89/572938489.db2.gz	BQAAIUPRABJFPV-PCYYEKQGSA-N	0	0	184.323	3.386	10	0		AGAERN
C/C=C/C=C/c1nnc([C@H](C)CC)o1	1117211113	757637662	/nfs/dbraw/zinc/63/76/62/757637662.db2.gz	BQYKIJCZFALZRS-ORGPFNIGSA-N	0	0	192.262	3.172	10	0		AGAERN
CC(C)CC[C@](C)(O)CCC1CC1	308195240	572938531	/nfs/dbraw/zinc/93/85/31/572938531.db2.gz	QOAPXYYJZDMINC-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)=C(C)CC/C(C)=C/CCO	238111045	572938540	/nfs/dbraw/zinc/93/85/40/572938540.db2.gz	WPXGZLKZEXRTMY-IZZDOVSWSA-N	0	0	182.307	3.452	10	0		AGAERN
CC[C@H](C)Cc1nnc([C@H](C)CC)o1	1118138354	757654125	/nfs/dbraw/zinc/65/41/25/757654125.db2.gz	ACHMPILTEHOOCA-DTWKUNHWSA-N	0	0	196.294	3.172	10	0		AGAERN
CC[C@H](C)c1nnc(C[C@H](C)CC)o1	1118138353	757654348	/nfs/dbraw/zinc/65/43/48/757654348.db2.gz	ACHMPILTEHOOCA-BDAKNGLRSA-N	0	0	196.294	3.172	10	0		AGAERN
CC[C@H](C)Cc1nnc([C@@H](C)CC)o1	1118138355	757660757	/nfs/dbraw/zinc/66/07/57/757660757.db2.gz	ACHMPILTEHOOCA-IUCAKERBSA-N	0	0	196.294	3.172	10	0		AGAERN
CC[C@@]1(C)[C@@H](O)C[C@@H]1c1ccsc1	88179382	572974805	/nfs/dbraw/zinc/97/48/05/572974805.db2.gz	XNECNAWQEWDDIW-OUAUKWLOSA-N	0	0	196.315	3.013	10	0		AGAERN
CC[C@@H](C)Cc1nnc([C@H](C)CC)o1	1118138356	757663064	/nfs/dbraw/zinc/66/30/64/757663064.db2.gz	ACHMPILTEHOOCA-RKDXNWHRSA-N	0	0	196.294	3.172	10	0		AGAERN
CCc1ccc(C(=O)CC(C)C)o1	51726171	572975685	/nfs/dbraw/zinc/97/56/85/572975685.db2.gz	JLQWDDKCPVIUOW-UHFFFAOYSA-N	0	0	180.247	3.071	10	0		AGAERN
CCC/C(C)=C/CCC[C@H](C)O	238187914	572975691	/nfs/dbraw/zinc/97/56/91/572975691.db2.gz	QEJGQEBLRITEHO-UQSGXBNBSA-N	0	0	170.296	3.284	10	0		AGAERN
CCCC/C=C/[C@H](O)C=C(C)C	238193572	572979274	/nfs/dbraw/zinc/97/92/74/572979274.db2.gz	XNJKYTXZWJJWPR-AEZGRPFRSA-N	0	0	168.280	3.060	10	0		AGAERN
CCCC/C=C/[C@@H](O)c1ccoc1	238192827	572979294	/nfs/dbraw/zinc/97/92/94/572979294.db2.gz	RGEKXQXGYZHIKS-MVIFTORASA-N	0	0	180.247	3.059	10	0		AGAERN
CCC(=O)CC(C)(C)C=C(C)C	238194580	572979311	/nfs/dbraw/zinc/97/93/11/572979311.db2.gz	WSYYHFCTRVMVFN-UHFFFAOYSA-N	0	0	168.280	3.348	10	0		AGAERN
CCCC/C=C/[C@H](O)[C@H](C)C(C)C	238193788	572979322	/nfs/dbraw/zinc/97/93/22/572979322.db2.gz	HUGHUVNQJKPKCQ-DGTDAXKGSA-N	0	0	184.323	3.386	10	0		AGAERN
CCCC/C=C/C[C@@H]1CCC[C@H]1O	238191404	572979339	/nfs/dbraw/zinc/97/93/39/572979339.db2.gz	ACTXGNOXIJJEQQ-IEVRTODYSA-N	0	0	182.307	3.284	10	0		AGAERN
CCC(=O)CC(C)(C)CC(C)C	238194623	572979351	/nfs/dbraw/zinc/97/93/51/572979351.db2.gz	RVIPYYQHSXGRRS-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
CCCCCC=C=C(CCO)C1CC1	238191493	572979636	/nfs/dbraw/zinc/97/96/36/572979636.db2.gz	VLSZATJVCOQBNU-UHFFFAOYSA-N	0	0	194.318	3.441	10	0		AGAERN
O=C1[C@H]2CC=CC[C@H]1CCCCC2	196583889	572979653	/nfs/dbraw/zinc/97/96/53/572979653.db2.gz	YPMUXRBUSFBTKZ-GHMZBOCLSA-N	0	0	178.275	3.102	10	0		AGAERN
CCCC/C=C/[C@H](O)[C@@H](C)CC	238193677	572979719	/nfs/dbraw/zinc/97/97/19/572979719.db2.gz	HEQSJHSQVVTVIX-WRSFFWLLSA-N	0	0	170.296	3.140	10	0		AGAERN
CC(C)=CCCOC(=O)CC1(C)CC1	1118396936	757676768	/nfs/dbraw/zinc/67/67/68/757676768.db2.gz	DHUHNOXSHJNDDW-UHFFFAOYSA-N	0	0	196.290	3.076	10	0		AGAERN
CC[C@@H](C)c1nnc([C@@H]2C[C@H]2CC)o1	1118371409	757678157	/nfs/dbraw/zinc/67/81/57/757678157.db2.gz	WREWUWXBSQHXCK-IWSPIJDZSA-N	0	0	194.278	3.097	10	0		AGAERN
CC[C@H](C)c1nnc([C@@H]2C[C@H]2CC)o1	1118371407	757678366	/nfs/dbraw/zinc/67/83/66/757678366.db2.gz	WREWUWXBSQHXCK-DJLDLDEBSA-N	0	0	194.278	3.097	10	0		AGAERN
Cc1ccc(CSC(C)C)cc1O	258209825	573001226	/nfs/dbraw/zinc/00/12/26/573001226.db2.gz	WELCDZRSJZGOCP-UHFFFAOYSA-N	0	0	196.315	3.342	10	0		AGAERN
CC1=C(c2ccccc2O)CCC1	238250817	573001244	/nfs/dbraw/zinc/00/12/44/573001244.db2.gz	DGWMVEWSAXQHMY-UHFFFAOYSA-N	0	0	174.243	3.350	10	0		AGAERN
CC(C)=CCCOC(=O)[C@@H](C)C(C)C	1118448782	757683066	/nfs/dbraw/zinc/68/30/66/757683066.db2.gz	FAOMIERLKUYDGH-NSHDSACASA-N	0	0	198.306	3.178	10	0		AGAERN
CCc1nc(-c2ccccc2)oc1C	113438806	573002795	/nfs/dbraw/zinc/00/27/95/573002795.db2.gz	KSJCOEISKRQFRP-UHFFFAOYSA-N	0	0	187.242	3.212	10	0		AGAERN
CC(C)=CCCOC(=O)CCC1CC1	1118448514	757689346	/nfs/dbraw/zinc/68/93/46/757689346.db2.gz	BLUANFHSYGCXCA-UHFFFAOYSA-N	0	0	196.290	3.076	10	0		AGAERN
CC(C)=CCCOC(=O)[C@H](C)C(C)C	1118448779	757690987	/nfs/dbraw/zinc/69/09/87/757690987.db2.gz	FAOMIERLKUYDGH-LLVKDONJSA-N	0	0	198.306	3.178	10	0		AGAERN
CC/C=C\C(=O)O[C@@H](C)CCCC	308222297	573011382	/nfs/dbraw/zinc/01/13/82/573011382.db2.gz	LTISJHQXCUQDRU-RNKPRXRFSA-N	0	0	184.279	3.075	10	0		AGAERN
CC/C=C\C(=O)O[C@H](C)CCCC	308222299	573011430	/nfs/dbraw/zinc/01/14/30/573011430.db2.gz	LTISJHQXCUQDRU-UJICNMFASA-N	0	0	184.279	3.075	10	0		AGAERN
Cc1cc(C(=O)CCCCF)c(C)o1	308475549	573011474	/nfs/dbraw/zinc/01/14/74/573011474.db2.gz	DMLHVEHXSDNMQL-UHFFFAOYSA-N	0	0	198.237	3.219	10	0		AGAERN
CCC(CC)C[C@H](C)[C@H](O)CC	128306483	573017822	/nfs/dbraw/zinc/01/78/22/573017822.db2.gz	HJSNQLDWURFOES-GXSJLCMTSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCSCc1ncoc1C1CC1	308225443	573019048	/nfs/dbraw/zinc/01/90/48/573019048.db2.gz	MTGWBXOUUKGSNF-UHFFFAOYSA-N	0	0	197.303	3.195	10	0		AGAERN
CCC1(C(=O)[C@H](C)CC(C)C)CC1	308225882	573019068	/nfs/dbraw/zinc/01/90/68/573019068.db2.gz	QTSOXPUQNINCHZ-SNVBAGLBSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)C[C@@H](C)Oc1cccnc1F	308484684	573019108	/nfs/dbraw/zinc/01/91/08/573019108.db2.gz	OIHHNIAFDTYIRD-SECBINFHSA-N	0	0	197.253	3.034	10	0		AGAERN
CC1=CC2=CCCC(=O)[C@]2(C)CC1	238257115	573019178	/nfs/dbraw/zinc/01/91/78/573019178.db2.gz	PDHFAMWBTVRITK-GFCCVEGCSA-N	0	0	176.259	3.022	10	0		AGAERN
CCC1(C(=O)[C@@H](C)CC(C)C)CC1	308225881	573020754	/nfs/dbraw/zinc/02/07/54/573020754.db2.gz	QTSOXPUQNINCHZ-JTQLQIEISA-N	0	0	182.307	3.428	10	0		AGAERN
CCNc1ccc(N=O)c(C)c1C	238253736	573020864	/nfs/dbraw/zinc/02/08/64/573020864.db2.gz	SOLCUJMUVCSFCN-UHFFFAOYSA-N	0	0	178.235	3.133	10	0		AGAERN
CC1(C)C/C=C/CCCC/C=C/[C@@H]1O	238254810	573026096	/nfs/dbraw/zinc/02/60/96/573026096.db2.gz	OQKOTJQDWSTWJI-RGUXLSABSA-N	0	0	194.318	3.450	10	0		AGAERN
Cc1ccncc1C(=O)CC(C)(C)C	85440851	573031553	/nfs/dbraw/zinc/03/15/53/573031553.db2.gz	RUENJEBSSJDOOW-UHFFFAOYSA-N	0	0	191.274	3.009	10	0		AGAERN
CCC/C=C\C/C=C/CCCCO	224622120	573041782	/nfs/dbraw/zinc/04/17/82/573041782.db2.gz	JBDQGJULPSTQKW-KXKKYDSASA-N	0	0	182.307	3.452	10	0		AGAERN
CSCc1cc2c(F)cccc2o1	257934205	573042053	/nfs/dbraw/zinc/04/20/53/573042053.db2.gz	FJYHIVRUFNOHGR-UHFFFAOYSA-N	0	0	196.246	3.435	10	0		AGAERN
C=COc1ccc(F)cc1Cl	85503569	573049844	/nfs/dbraw/zinc/04/98/44/573049844.db2.gz	OVVCYGLEQIXYPX-UHFFFAOYSA-N	0	0	172.586	3.001	10	0		AGAERN
CC1=CC[C@@H](C2(C)CC(=O)C2)CC1	238258577	573049939	/nfs/dbraw/zinc/04/99/39/573049939.db2.gz	USVHZNSZEKCQBF-SNVBAGLBSA-N	0	0	178.275	3.102	10	0		AGAERN
C=COc1ccc(C(C)C)cc1	85503234	573050023	/nfs/dbraw/zinc/05/00/23/573050023.db2.gz	MVJVVZFFVDTGLQ-UHFFFAOYSA-N	0	0	162.232	3.332	10	0		AGAERN
C=COc1ccc(F)c(Cl)c1	85503701	573050057	/nfs/dbraw/zinc/05/00/57/573050057.db2.gz	QMUPNWKMYVXAPB-UHFFFAOYSA-N	0	0	172.586	3.001	10	0		AGAERN
C=COc1cc(C)cc(C)c1C	85503411	573050065	/nfs/dbraw/zinc/05/00/65/573050065.db2.gz	CHWXIMRYKYISEL-UHFFFAOYSA-N	0	0	162.232	3.134	10	0		AGAERN
Clc1ccc2c3c(cccc13)CN2	257932657	573050125	/nfs/dbraw/zinc/05/01/25/573050125.db2.gz	BUUICVDJYHOKJQ-UHFFFAOYSA-N	0	0	189.645	3.419	10	0		AGAERN
CC1=CCC[C@H]2CC(=O)CC[C@]12C	238258032	573050181	/nfs/dbraw/zinc/05/01/81/573050181.db2.gz	SBERBBDKRTZZIT-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
C=COc1cccc2ccc(C)nc12	85503477	573050225	/nfs/dbraw/zinc/05/02/25/573050225.db2.gz	CWDCIZKNPGAYNW-UHFFFAOYSA-N	0	0	185.226	3.066	10	0		AGAERN
C=COc1ccccc1/C=C/C	85503435	573052868	/nfs/dbraw/zinc/05/28/68/573052868.db2.gz	XJBSPZOCBRVCNN-XVNBXDOJSA-N	0	0	160.216	3.242	10	0		AGAERN
CC[C@@H]1Cc2c(O)cccc2[C@H]1C	238273944	573054991	/nfs/dbraw/zinc/05/49/91/573054991.db2.gz	DBHYDABFODGOLD-DTWKUNHWSA-N	0	0	176.259	3.078	10	0		AGAERN
CCC[C@H](C)CC(=O)OC(C)(C)C	308244407	573061320	/nfs/dbraw/zinc/06/13/20/573061320.db2.gz	UNKSTTHZELNYOX-VIFPVBQESA-N	0	0	186.295	3.154	10	0		AGAERN
C=Cc1ccc(Cl)c(C)c1	114135821	573061325	/nfs/dbraw/zinc/06/13/25/573061325.db2.gz	ATJIMRYXCPNUGW-UHFFFAOYSA-N	0	0	152.624	3.291	10	0		AGAERN
CCc1ccc(Cl)c2c1CCC2=O	238274360	573061507	/nfs/dbraw/zinc/06/15/07/573061507.db2.gz	XPYYBHFMQKSCQM-UHFFFAOYSA-N	0	0	194.661	3.031	10	0		AGAERN
CC[C@H](C)[C@H](C)c1ccc(N)cc1	238264329	573065439	/nfs/dbraw/zinc/06/54/39/573065439.db2.gz	XYOSNVLTAMEVAC-UWVGGRQHSA-N	0	0	177.291	3.418	10	0		AGAERN
CCC[C@H](O)[C@H]1CC=C(C)C[C@@H]1C	238264965	573065445	/nfs/dbraw/zinc/06/54/45/573065445.db2.gz	DKUUTQKWXQKSBY-SRVKXCTJSA-N	0	0	182.307	3.140	10	0		AGAERN
CCCC[C@@H](C)OC(=O)C=C(C)C	308247111	573070616	/nfs/dbraw/zinc/07/06/16/573070616.db2.gz	XBNGPUIBPFZIMD-SNVBAGLBSA-N	0	0	184.279	3.075	10	0		AGAERN
CC[C@@H](Nc1ccsc1)C1CC1	85528166	573070622	/nfs/dbraw/zinc/07/06/22/573070622.db2.gz	VUNSBSPHXJHJEG-SNVBAGLBSA-N	0	0	181.304	3.349	10	0		AGAERN
CC(C)CC1=CC[C@H]([C@H](C)O)[C@@H](C)C1	114244771	573070724	/nfs/dbraw/zinc/07/07/24/573070724.db2.gz	XAJHGTNSGYJAIG-GVXVVHGQSA-N	0	0	196.334	3.386	10	0		AGAERN
C[C@@H]1CCC[C@@H]1Nc1ccsc1	85528050	573070727	/nfs/dbraw/zinc/07/07/27/573070727.db2.gz	MLZNPDDZKKIJNY-SCZZXKLOSA-N	0	0	181.304	3.349	10	0		AGAERN
CC[C@@H](O)C1=C(Cl)CCCCC1	238267839	573070756	/nfs/dbraw/zinc/07/07/56/573070756.db2.gz	LHDZQYQWPQRNGV-SNVBAGLBSA-N	0	0	188.698	3.214	10	0		AGAERN
CC(C)C[C@H](C)[C@H](O)[C@H]1CC[C@@H](C)C1	308489467	573071946	/nfs/dbraw/zinc/07/19/46/573071946.db2.gz	PZMXHNLWNJHBIJ-VOAKCMCISA-N	0	0	198.350	3.466	10	0		AGAERN
CC[C@@H]1C(=O)c2ccccc2[C@@H]1C	238268054	573071977	/nfs/dbraw/zinc/07/19/77/573071977.db2.gz	UJJJWBBSJVFXFO-BDAKNGLRSA-N	0	0	174.243	3.013	10	0		AGAERN
CCC(CC)C[C@H]1CCC(=O)C1	128592019	573072049	/nfs/dbraw/zinc/07/20/49/573072049.db2.gz	CJAMVORNHWDFEW-SNVBAGLBSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H]1c2ccccc2[C@H](O)[C@@H]1CC	238268387	573073840	/nfs/dbraw/zinc/07/38/40/573073840.db2.gz	DUDDVKGIOXHOKJ-OPQQBVKSSA-N	0	0	190.286	3.253	10	0		AGAERN
CC(C)Cc1ccc(Cl)cc1N	88123392	573073866	/nfs/dbraw/zinc/07/38/66/573073866.db2.gz	KXXDPNOVSCNCDI-UHFFFAOYSA-N	0	0	183.682	3.121	10	0		AGAERN
CCC[C@@]1(O)CCC(C)(C)C[C@@H]1C	88132473	573076756	/nfs/dbraw/zinc/07/67/56/573076756.db2.gz	WYEHARZARLNWBA-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H]1c2ccccc2[C@@H](O)[C@@H]1CC	238269695	573076822	/nfs/dbraw/zinc/07/68/22/573076822.db2.gz	DUDDVKGIOXHOKJ-CWSCBRNRSA-N	0	0	190.286	3.253	10	0		AGAERN
CC(C)[C@@]1(O)CCC(C)(C)C[C@H]1C	88132293	573076857	/nfs/dbraw/zinc/07/68/57/573076857.db2.gz	JMOYAWSIBWKESZ-PWSUYJOCSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H](C(C)C)n1c(C)c[nH]c1=S	88146284	573083823	/nfs/dbraw/zinc/08/38/23/573083823.db2.gz	CDYIRESTUJJABD-SECBINFHSA-N	0	0	198.335	3.461	10	0		AGAERN
Cc1c[nH]c(=S)n1CC1CCCC1	88146080	573084006	/nfs/dbraw/zinc/08/40/06/573084006.db2.gz	ZXPDCPZICSWKLN-UHFFFAOYSA-N	0	0	196.319	3.044	10	0		AGAERN
Cc1c[nH]c(=S)n1C[C@@H](C)C(C)C	88153841	573084082	/nfs/dbraw/zinc/08/40/82/573084082.db2.gz	PQHZGUFHSYWUSQ-MRVPVSSYSA-N	0	0	198.335	3.146	10	0		AGAERN
Cc1ccc(C)n1[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C	717104565	573084090	/nfs/dbraw/zinc/08/40/90/573084090.db2.gz	LFUXRBPNGDSNQR-HUXSOILUSA-N	0	0	189.302	3.322	10	0		AGAERN
CC[C@H](C)[C@H](C)n1c(C)c[nH]c1=S	88146245	573084110	/nfs/dbraw/zinc/08/41/10/573084110.db2.gz	QSRXTOLXEPQEAX-CBAPKCEASA-N	0	0	198.335	3.461	10	0		AGAERN
CCc1c[nH]c(=S)n1[C@@H](C)CC	88145890	573084115	/nfs/dbraw/zinc/08/41/15/573084115.db2.gz	KMAXBHDHZQJJKN-ZETCQYMHSA-N	0	0	184.308	3.079	10	0		AGAERN
CCCc1c(OC)ccc2[nH]ccc12	238272286	573084177	/nfs/dbraw/zinc/08/41/77/573084177.db2.gz	ROKUSELCBAZGPJ-UHFFFAOYSA-N	0	0	189.258	3.129	10	0		AGAERN
Cc1c[nH]c(=S)n1[C@@H](C)C(C)C	88146007	573084197	/nfs/dbraw/zinc/08/41/97/573084197.db2.gz	GDTGZPKXYYOZKC-QMMMGPOBSA-N	0	0	184.308	3.071	10	0		AGAERN
CC[C@@H](O)C[C@H]1CC=C(C)C1(C)C	238272427	573087115	/nfs/dbraw/zinc/08/71/15/573087115.db2.gz	FTRJMSPNNNASOM-GHMZBOCLSA-N	0	0	182.307	3.140	10	0		AGAERN
CC[C@H](C)[C@@H](C)n1c(C)c[nH]c1=S	88146243	573087938	/nfs/dbraw/zinc/08/79/38/573087938.db2.gz	QSRXTOLXEPQEAX-IONNQARKSA-N	0	0	198.335	3.461	10	0		AGAERN
CCC(CC)n1c(C)c[nH]c1=S	88145938	573087957	/nfs/dbraw/zinc/08/79/57/573087957.db2.gz	BBVCHFANPWMZBS-UHFFFAOYSA-N	0	0	184.308	3.215	10	0		AGAERN
Cc1cn([C@H]2CCC[C@H]2C)c(=S)[nH]1	88155124	573089799	/nfs/dbraw/zinc/08/97/99/573089799.db2.gz	NNYIOHGWSDSEFX-APPZFPTMSA-N	0	0	196.319	3.215	10	0		AGAERN
Cc1cccc(Oc2nc(C)co2)c1	257943085	573089806	/nfs/dbraw/zinc/08/98/06/573089806.db2.gz	VSNHLXOAIGCZMI-UHFFFAOYSA-N	0	0	189.214	3.084	10	0		AGAERN
CC[C@H]1C=C(C)Cc2ccccc2N1	238278525	573100493	/nfs/dbraw/zinc/10/04/93/573100493.db2.gz	FSZMKGFNXQYVLO-LBPRGKRZSA-N	0	0	187.286	3.380	10	0		AGAERN
CCCc1ccc([C@@H](C)[C@@H](C)O)cc1	85658655	573100501	/nfs/dbraw/zinc/10/05/01/573100501.db2.gz	DICGCPUQJBTCHD-WDEREUQCSA-N	0	0	192.302	3.123	10	0		AGAERN
CC[C@@H](C)c1nc(C)c([C@@H](C)O)s1	82562758	573100527	/nfs/dbraw/zinc/10/05/27/573100527.db2.gz	KOBICWKSFJAKSW-HTRCEHHLSA-N	0	0	199.319	3.018	10	0		AGAERN
CC[C@@]1(C)C(=O)C[C@@H]1c1ccccc1	88177918	573100537	/nfs/dbraw/zinc/10/05/37/573100537.db2.gz	NFDORNCZCLNPNY-DGCLKSJQSA-N	0	0	188.270	3.159	10	0		AGAERN
CC[C@@]1(C)C(=O)C[C@@H]1c1ccsc1	88178158	573100557	/nfs/dbraw/zinc/10/05/57/573100557.db2.gz	LRVDDKCYTPLOAS-MWLCHTKSSA-N	0	0	194.299	3.221	10	0		AGAERN
CCC[C@@H]1CCC[C@@H]([C@@H](C)O)CC1	85658839	573105679	/nfs/dbraw/zinc/10/56/79/573105679.db2.gz	HNKQNYNIHLHCKZ-IJLUTSLNSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H]1CCC[C@@H](C(C)=O)CC1	85662181	573105693	/nfs/dbraw/zinc/10/56/93/573105693.db2.gz	AVTITHQODAEUIU-WDEREUQCSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H]1C(=O)[C@@H](C)[C@@H]1c1cccs1	88183061	573105732	/nfs/dbraw/zinc/10/57/32/573105732.db2.gz	NADZTHXKHDOPIN-NRPADANISA-N	0	0	194.299	3.077	10	0		AGAERN
CC[C@@H](C(C)=O)c1cccc(Cl)c1	85662217	573105830	/nfs/dbraw/zinc/10/58/30/573105830.db2.gz	DKUUNENZLDNSKV-NSHDSACASA-N	0	0	196.677	3.423	10	0		AGAERN
CC[C@@H]1C(=O)[C@H]2CCCCCC[C@@H]12	88183115	573105841	/nfs/dbraw/zinc/10/58/41/573105841.db2.gz	PJGZNFQIPSBEDD-DCAQKATOSA-N	0	0	180.291	3.182	10	0		AGAERN
CC(=O)c1csc2cccc(F)c12	257941028	573106004	/nfs/dbraw/zinc/10/60/04/573106004.db2.gz	QXAQDFPDJUKTQO-UHFFFAOYSA-N	0	0	194.230	3.243	10	0		AGAERN
CCC1(CC)C(=O)[C@@H]2CCCC[C@@H]21	88183651	573106057	/nfs/dbraw/zinc/10/60/57/573106057.db2.gz	PUGCCRBINDCREG-ZJUUUORDSA-N	0	0	180.291	3.182	10	0		AGAERN
CC(C)[C@@H]1C(=O)C[C@@H]1c1ccccc1	88183014	573103730	/nfs/dbraw/zinc/10/37/30/573103730.db2.gz	HSAPCNDRMNLMSW-YPMHNXCESA-N	0	0	188.270	3.015	10	0		AGAERN
CCC(CC)C[C@@H]1CC[C@@H](O)[C@@H]1C	128698989	573112436	/nfs/dbraw/zinc/11/24/36/573112436.db2.gz	QLMWTASXPVASLA-ADEWGFFLSA-N	0	0	184.323	3.220	10	0		AGAERN
CCc1ccc(OC)c2sccc12	238286320	573112554	/nfs/dbraw/zinc/11/25/54/573112554.db2.gz	LAKMEENNYIEMFL-UHFFFAOYSA-N	0	0	192.283	3.472	10	0		AGAERN
CC1=C2CCC(=O)C[C@H](C)[C@H]2CC1	143970455	573112621	/nfs/dbraw/zinc/11/26/21/573112621.db2.gz	DPMQAKQELFQTTE-JOYOIKCWSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@@H](NOCC(C)C)C1CCCC1	387521391	573113657	/nfs/dbraw/zinc/11/36/57/573113657.db2.gz	HWTXBXWVYJMMHD-GFCCVEGCSA-N	0	0	199.338	3.132	10	0		AGAERN
CCS[C@@H](C)Nc1ccccc1	238288151	573117695	/nfs/dbraw/zinc/11/76/95/573117695.db2.gz	FWDDATRXXYBMNW-VIFPVBQESA-N	0	0	181.304	3.198	10	0		AGAERN
CCc1c(C)[nH]c2cc(C)c(O)cc12	238288278	573117703	/nfs/dbraw/zinc/11/77/03/573117703.db2.gz	ZUCDBDRYKJSYBG-UHFFFAOYSA-N	0	0	189.258	3.053	10	0		AGAERN
Cc1cc(OC(C)(C)C)cc(C)c1O	143997795	573117720	/nfs/dbraw/zinc/11/77/20/573117720.db2.gz	MTYCPOCUBRCOCE-UHFFFAOYSA-N	0	0	194.274	3.186	10	0		AGAERN
CCc1c(C)[nH]c2cc(C)ccc12	238288313	573117759	/nfs/dbraw/zinc/11/77/59/573117759.db2.gz	CGAGIWQGGPNGND-UHFFFAOYSA-N	0	0	173.259	3.347	10	0		AGAERN
CCc1c(C)[nH]c2ccc(F)c(C)c12	238288544	573117771	/nfs/dbraw/zinc/11/77/71/573117771.db2.gz	MWGMQISSKSVFOQ-UHFFFAOYSA-N	0	0	191.249	3.486	10	0		AGAERN
CC[C@@H]1c2ccc(O)cc2C[C@H]1C	238287065	573117866	/nfs/dbraw/zinc/11/78/66/573117866.db2.gz	IGGHYQAUJVVDPI-KCJUWKMLSA-N	0	0	176.259	3.078	10	0		AGAERN
CC(C)Sc1ccc(C=O)cc1F	82612772	573125492	/nfs/dbraw/zinc/12/54/92/573125492.db2.gz	MQBXEUXCRMQSRM-UHFFFAOYSA-N	0	0	198.262	3.139	10	0		AGAERN
Cc1csc2c(O)ccc(F)c12	114830013	573125535	/nfs/dbraw/zinc/12/55/35/573125535.db2.gz	FGWSGOYBJBSOMZ-UHFFFAOYSA-N	0	0	182.219	3.054	10	0		AGAERN
CC[C@@]12CC(=O)CC[C@@H]1CC=C2C	238281731	573128381	/nfs/dbraw/zinc/12/83/81/573128381.db2.gz	NFLRAJOSWLPLLE-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@@H]1CC[C@@H](Nc2nccs2)C1	85733513	573128436	/nfs/dbraw/zinc/12/84/36/573128436.db2.gz	RCVKEBFJVOVVDR-RKDXNWHRSA-N	0	0	196.319	3.134	10	0		AGAERN
CCc1ccc(Cn2cccc2)s1	82615191	573128444	/nfs/dbraw/zinc/12/84/44/573128444.db2.gz	OJWBVFRIBNJRPO-UHFFFAOYSA-N	0	0	191.299	3.160	10	0		AGAERN
CCCC[C@H](C)Nc1cccc(N)c1	50887058	573139359	/nfs/dbraw/zinc/13/93/59/573139359.db2.gz	CRDNEQOBEQBTLE-JTQLQIEISA-N	0	0	192.306	3.259	10	0		AGAERN
CC[C@@]1(C)CNc2c(F)ccc(C)c21	238289368	573139410	/nfs/dbraw/zinc/13/94/10/573139410.db2.gz	YHBKYUGTAWCXPF-LBPRGKRZSA-N	0	0	193.265	3.227	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1[C@H](O)C(C)C	82658309	573146635	/nfs/dbraw/zinc/14/66/35/573146635.db2.gz	ZATVBMMYZRIOQY-GRYCIOLGSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H]1CCCC[C@H]1n1cccn1	82659126	573146657	/nfs/dbraw/zinc/14/66/57/573146657.db2.gz	UPIQRHPWWNWCMH-WDEREUQCSA-N	0	0	178.279	3.024	10	0		AGAERN
CC[C@@H]1CCCC[C@H]1[C@](C)(O)CC	82658040	573146665	/nfs/dbraw/zinc/14/66/65/573146665.db2.gz	DADGTUMOJJKDID-IJLUTSLNSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(=O)[C@H]1CCCC[C@H]1CC	82658202	573146697	/nfs/dbraw/zinc/14/66/97/573146697.db2.gz	OPGOTBWCIZFNIU-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1cccc(-c2nc(C)[nH]c2C)c1	258538246	573146810	/nfs/dbraw/zinc/14/68/10/573146810.db2.gz	JIBLSADPSLWBKT-UHFFFAOYSA-N	0	0	186.258	3.002	10	0		AGAERN
CCc1c(C)cc(C(C)C)cc1O	238290204	573148242	/nfs/dbraw/zinc/14/82/42/573148242.db2.gz	YGUISCITSZATEV-UHFFFAOYSA-N	0	0	178.275	3.386	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1n1ccnc1C	82659143	573148361	/nfs/dbraw/zinc/14/83/61/573148361.db2.gz	GJASFVIVRGNNIS-NEPJUHHUSA-N	0	0	192.306	3.333	10	0		AGAERN
CC(C)c1cnc(Cl)n1C(C)C	258544266	573152559	/nfs/dbraw/zinc/15/25/59/573152559.db2.gz	NUSDORIJNLJICI-UHFFFAOYSA-N	0	0	186.686	3.241	10	0		AGAERN
O[C@@H](c1cccs1)[C@@H]1CC=CCC1	82678838	573160038	/nfs/dbraw/zinc/16/00/38/573160038.db2.gz	SBKBOQQRERBSQE-MWLCHTKSSA-N	0	0	194.299	3.138	10	0		AGAERN
CCc1ccc([C@H](O)C2CCCC2)o1	82677547	573160124	/nfs/dbraw/zinc/16/01/24/573160124.db2.gz	JBENCGOKAYKGOT-GFCCVEGCSA-N	0	0	194.274	3.066	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1Nn1cccc1	85828738	573162851	/nfs/dbraw/zinc/16/28/51/573162851.db2.gz	QPQHAEHWHXNOGJ-NEPJUHHUSA-N	0	0	192.306	3.000	10	0		AGAERN
CC[C@H](CC[C@@H]1C[C@@H]1C1CC1)[C@@H](C)O	715525502	573162871	/nfs/dbraw/zinc/16/28/71/573162871.db2.gz	QAFISFMRVYBBPP-FPQZTECRSA-N	0	0	196.334	3.220	10	0		AGAERN
CC[C@H]1CCC[C@@H](Nn2cccc2)C1	85829083	573163854	/nfs/dbraw/zinc/16/38/54/573163854.db2.gz	IPXSELBNRYXAOA-NWDGAFQWSA-N	0	0	192.306	3.000	10	0		AGAERN
CCCC/C(=C\CCO)CCC	225539587	573163898	/nfs/dbraw/zinc/16/38/98/573163898.db2.gz	WSTGWXRYCDMTMM-LUAWRHEFSA-N	0	0	170.296	3.286	10	0		AGAERN
CCCC[C@H](CC)Nn1cccc1	85828925	573164014	/nfs/dbraw/zinc/16/40/14/573164014.db2.gz	JAFAGBPDNGVYRO-NSHDSACASA-N	0	0	180.295	3.000	10	0		AGAERN
C[C@@](F)(c1ccccc1O)C1CCC1	259602265	573166344	/nfs/dbraw/zinc/16/63/44/573166344.db2.gz	DCLPASGKBFLXAK-LBPRGKRZSA-N	0	0	194.249	3.377	10	0		AGAERN
C/C=C\C[C@H]1C[C@H](C(C)C)CC[C@@H]1O	211632572	573166363	/nfs/dbraw/zinc/16/63/63/573166363.db2.gz	CDENFUNDCAJILD-PWDGOWMUSA-N	0	0	196.334	3.386	10	0		AGAERN
CC(C)C[C@H](C)C(=O)[C@@H]1[C@H]2CCC[C@H]21	308511102	573166390	/nfs/dbraw/zinc/16/63/90/573166390.db2.gz	CBVKKIVGJCNENM-NNYUYHANSA-N	0	0	194.318	3.284	10	0		AGAERN
CC(C)c1ccc2cccnc2c1	104677721	573170746	/nfs/dbraw/zinc/17/07/46/573170746.db2.gz	UUSYINLEWOYLMM-UHFFFAOYSA-N	0	0	171.243	3.358	10	0		AGAERN
CCCCCCn1ccc(C(C)=O)c1	85832932	573170921	/nfs/dbraw/zinc/17/09/21/573170921.db2.gz	CIXQSGVDHILZNQ-UHFFFAOYSA-N	0	0	193.290	3.271	10	0		AGAERN
CCCCCNc1ncc(CC)s1	308292728	573177360	/nfs/dbraw/zinc/17/73/60/573177360.db2.gz	IHDFGVGZCIMEHK-UHFFFAOYSA-N	0	0	198.335	3.308	10	0		AGAERN
C=Cc1c(OC)ccc2ccccc12	82762059	573177363	/nfs/dbraw/zinc/17/73/63/573177363.db2.gz	UWLYESRLZSVOQM-UHFFFAOYSA-N	0	0	184.238	3.491	10	0		AGAERN
CC[C@@H]1CC[C@@H](CC)S1	104679109	573177364	/nfs/dbraw/zinc/17/73/64/573177364.db2.gz	XQKZIDUXMNZJJF-HTQZYQBOSA-N	0	0	144.283	3.071	10	0		AGAERN
Cc1csc2cc(C=O)ccc12	257960542	573182878	/nfs/dbraw/zinc/18/28/78/573182878.db2.gz	FSQBTRMQPDXMTI-UHFFFAOYSA-N	0	0	176.240	3.022	10	0		AGAERN
CCSc1cccc(O)c1Cl	238305185	573183006	/nfs/dbraw/zinc/18/30/06/573183006.db2.gz	CJWYRXKELJYJGL-UHFFFAOYSA-N	0	0	188.679	3.158	10	0		AGAERN
CC(C)CCC[C@]1(O)C[C@@H](C)[C@H]1C	308297589	573186597	/nfs/dbraw/zinc/18/65/97/573186597.db2.gz	IWEUCWLLCVPEPB-UTUOFQBUSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)CCC[C@]1(O)C[C@@H](C)[C@@H]1C	308297592	573186605	/nfs/dbraw/zinc/18/66/05/573186605.db2.gz	IWEUCWLLCVPEPB-WOPDTQHZSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)(C)Cc1cccc(C=O)c1	142158283	573186648	/nfs/dbraw/zinc/18/66/48/573186648.db2.gz	PMCRKKWHGYGGFN-UHFFFAOYSA-N	0	0	176.259	3.088	10	0		AGAERN
Cc1ccc2c(c1)[C@H](C)C[C@H](C)N2	104684627	573186686	/nfs/dbraw/zinc/18/66/86/573186686.db2.gz	SMMZRQYUSQBSHS-ZJUUUORDSA-N	0	0	175.275	3.303	10	0		AGAERN
Cc1cc2cnc3ccccc3c2o1	104685007	573186874	/nfs/dbraw/zinc/18/68/74/573186874.db2.gz	ZAFCEEYWGOFBPA-UHFFFAOYSA-N	0	0	183.210	3.289	10	0		AGAERN
CCCCSCC(F)(F)F	90211701	573186979	/nfs/dbraw/zinc/18/69/79/573186979.db2.gz	BMRNWPPTFNFEOZ-UHFFFAOYSA-N	0	0	172.215	3.082	10	0		AGAERN
C[C@H]1CC[C@H](C)c2c(O)cccc21	142128664	573188970	/nfs/dbraw/zinc/18/89/70/573188970.db2.gz	RBYSTZJCPLLNCR-IUCAKERBSA-N	0	0	176.259	3.393	10	0		AGAERN
C=Cc1c(F)cc2ncccc2c1F	115364798	573189074	/nfs/dbraw/zinc/18/90/74/573189074.db2.gz	JATLWBRHZQSJJT-UHFFFAOYSA-N	0	0	191.180	3.156	10	0		AGAERN
CCc1ccnc2c(C)cccc12	104685433	573189310	/nfs/dbraw/zinc/18/93/10/573189310.db2.gz	AEWAMMREJYGGMX-UHFFFAOYSA-N	0	0	171.243	3.106	10	0		AGAERN
CC[C@H](C)c1ccc(NC#N)cc1	142227426	573189413	/nfs/dbraw/zinc/18/94/13/573189413.db2.gz	OZYVGRLSWRVWCO-VIFPVBQESA-N	0	0	174.247	3.093	10	0		AGAERN
CCOc1cnc(C2CCCCC2)o1	258572547	573192844	/nfs/dbraw/zinc/19/28/44/573192844.db2.gz	KEIIBZUGAFSHNT-UHFFFAOYSA-N	0	0	195.262	3.121	10	0		AGAERN
CC[C@@H](C)C[C@@H](O)c1[nH]cc(C)c1C	308515856	573193110	/nfs/dbraw/zinc/19/31/10/573193110.db2.gz	FFZFGYNWZRQWJJ-LDYMZIIASA-N	0	0	195.306	3.101	10	0		AGAERN
CC[C@H](C)C[C@@H](O)c1[nH]cc(C)c1C	308515853	573194321	/nfs/dbraw/zinc/19/43/21/573194321.db2.gz	FFZFGYNWZRQWJJ-GZMMTYOYSA-N	0	0	195.306	3.101	10	0		AGAERN
CC[C@@H](C)C[C@H](O)c1[nH]cc(C)c1C	308515854	573194514	/nfs/dbraw/zinc/19/45/14/573194514.db2.gz	FFZFGYNWZRQWJJ-KCJUWKMLSA-N	0	0	195.306	3.101	10	0		AGAERN
CCc1nc2cc(C)cc(C)c2s1	238310260	573198943	/nfs/dbraw/zinc/19/89/43/573198943.db2.gz	VXHYHLCCVOWEEW-UHFFFAOYSA-N	0	0	191.299	3.476	10	0		AGAERN
Cc1cc(F)c(-n2cccc2)cc1F	235927313	573199128	/nfs/dbraw/zinc/19/91/28/573199128.db2.gz	INFZPBIJTIKYLR-UHFFFAOYSA-N	0	0	193.196	3.064	10	0		AGAERN
CC[C@H](O)[C@@H]1CC(=C(C)C)CC=C1C	238311469	573202417	/nfs/dbraw/zinc/20/24/17/573202417.db2.gz	WLJXKKRTDGIXPQ-OLZOCXBDSA-N	0	0	194.318	3.450	10	0		AGAERN
CC[C@@H](C)/C=C(/C)CCC(C)=O	225915073	573202464	/nfs/dbraw/zinc/20/24/64/573202464.db2.gz	BCRPGXDBKGHYPT-URLRMUCDSA-N	0	0	168.280	3.348	10	0		AGAERN
CCOCc1c[nH]c2c(C)cccc12	257969834	573202494	/nfs/dbraw/zinc/20/24/94/573202494.db2.gz	ZTUNOMHBDBSDAE-UHFFFAOYSA-N	0	0	189.258	3.013	10	0		AGAERN
CC(=O)C[C@H](C)[C@@H]1CCC[C@@H](C)C1	82806892	573202548	/nfs/dbraw/zinc/20/25/48/573202548.db2.gz	AACFMLZVLVMVPS-JFGNBEQYSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)C[C@H](C)c1cccc(C)c1C	82807197	573202631	/nfs/dbraw/zinc/20/26/31/573202631.db2.gz	ICLZGDVAKBCURI-JTQLQIEISA-N	0	0	190.286	3.386	10	0		AGAERN
CC(=O)C[C@H](C)c1cc(F)cc(F)c1	82807118	573202699	/nfs/dbraw/zinc/20/26/99/573202699.db2.gz	AGJBVJNRZALMIA-ZETCQYMHSA-N	0	0	198.212	3.047	10	0		AGAERN
CC(=O)C[C@@H](C)c1cc(F)cc(F)c1	82807119	573202744	/nfs/dbraw/zinc/20/27/44/573202744.db2.gz	AGJBVJNRZALMIA-SSDOTTSWSA-N	0	0	198.212	3.047	10	0		AGAERN
CC(=O)C[C@H](C)c1ccc(C)cc1C	82807126	573202782	/nfs/dbraw/zinc/20/27/82/573202782.db2.gz	CUFACOYKUCQQTK-NSHDSACASA-N	0	0	190.286	3.386	10	0		AGAERN
CCCc1ccc(C=O)cc1Cl	257969330	573204721	/nfs/dbraw/zinc/20/47/21/573204721.db2.gz	YJXGPHIYPUGBKQ-UHFFFAOYSA-N	0	0	182.650	3.105	10	0		AGAERN
CC(=O)C[C@@H](C)c1ccccc1C	82807385	573204727	/nfs/dbraw/zinc/20/47/27/573204727.db2.gz	OIZWGVDRHXNKSM-SNVBAGLBSA-N	0	0	176.259	3.078	10	0		AGAERN
CC(=O)C[C@@H](C)c1cccc(C)c1	82806895	573204826	/nfs/dbraw/zinc/20/48/26/573204826.db2.gz	SISOWGWDFHLSDK-SNVBAGLBSA-N	0	0	176.259	3.078	10	0		AGAERN
CC(C)C1(C(C)C)C23CC21C3	90764582	573204905	/nfs/dbraw/zinc/20/49/05/573204905.db2.gz	NWYSBAIFPHBBIO-UHFFFAOYSA-N	0	0	150.265	3.079	10	0		AGAERN
CC(=O)C[C@@H](C)c1ccc(C)cc1C	82807128	573204941	/nfs/dbraw/zinc/20/49/41/573204941.db2.gz	CUFACOYKUCQQTK-LLVKDONJSA-N	0	0	190.286	3.386	10	0		AGAERN
CC(=O)C[C@@H](C)c1cccc(F)c1F	82807303	573204981	/nfs/dbraw/zinc/20/49/81/573204981.db2.gz	AAFAQPIJFVWZQH-SSDOTTSWSA-N	0	0	198.212	3.047	10	0		AGAERN
CC[C@H](C)c1ccc(C(=O)OC)s1	259371151	573205050	/nfs/dbraw/zinc/20/50/50/573205050.db2.gz	JHAYIVNEGULEAB-ZETCQYMHSA-N	0	0	198.287	3.048	10	0		AGAERN
CC(=O)C[C@@H](C)CCc1ccccc1	82807166	573205176	/nfs/dbraw/zinc/20/51/76/573205176.db2.gz	YZEHGZJXVNCCKL-NSHDSACASA-N	0	0	190.286	3.234	10	0		AGAERN
CC(=O)C[C@@H](C)c1cc(C)ccc1F	82807021	573205195	/nfs/dbraw/zinc/20/51/95/573205195.db2.gz	FXMVSVJAKJNKTF-SECBINFHSA-N	0	0	194.249	3.217	10	0		AGAERN
C[C@@H](C[C@@H](C)O)c1cccc(Cl)c1	82811651	573207947	/nfs/dbraw/zinc/20/79/47/573207947.db2.gz	CKTWDOXEXYMJOZ-DTWKUNHWSA-N	0	0	198.693	3.214	10	0		AGAERN
C[C@@H](C[C@@H](C)O)c1ccc(Cl)cc1	82811281	573208030	/nfs/dbraw/zinc/20/80/30/573208030.db2.gz	LCOFJOSDHRVVCK-DTWKUNHWSA-N	0	0	198.693	3.214	10	0		AGAERN
CCCC1([C@@H](O)CC2=CCCC2)CC1	400386992	573208083	/nfs/dbraw/zinc/20/80/83/573208083.db2.gz	KOPIOIJHJQHOBF-LBPRGKRZSA-N	0	0	194.318	3.428	10	0		AGAERN
Cc1cccc([C@@H](C)C[C@@H](C)O)c1C	82812274	573208136	/nfs/dbraw/zinc/20/81/36/573208136.db2.gz	ASXZXJLVNBSKME-WDEREUQCSA-N	0	0	192.302	3.178	10	0		AGAERN
C[C@H](O)C1(CC2CCCCC2)CC1	235528884	573208192	/nfs/dbraw/zinc/20/81/92/573208192.db2.gz	YOVZUGFVYXRAQX-JTQLQIEISA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@H](C)Sc1ccc(N)c(F)c1	85935793	573208243	/nfs/dbraw/zinc/20/82/43/573208243.db2.gz	BZBJLEXKGYCWST-ZETCQYMHSA-N	0	0	199.294	3.299	10	0		AGAERN
CCc1ccccc1OC1CCC1	238312628	573208272	/nfs/dbraw/zinc/20/82/72/573208272.db2.gz	DQGNXCTUASVSSS-UHFFFAOYSA-N	0	0	176.259	3.180	10	0		AGAERN
CC[C@@H](C)Sc1cc(C)ccc1N	85930664	573208286	/nfs/dbraw/zinc/20/82/86/573208286.db2.gz	IREBYHVQFCECSS-SECBINFHSA-N	0	0	195.331	3.468	10	0		AGAERN
C/C=C/CSc1ccc(N)c(C)c1	85931929	573208293	/nfs/dbraw/zinc/20/82/93/573208293.db2.gz	GIWNRLAMSVEBEW-ONEGZZNKSA-N	0	0	193.315	3.245	10	0		AGAERN
CCc1ccc(C(C)C)c(C=O)c1	257963988	573208317	/nfs/dbraw/zinc/20/83/17/573208317.db2.gz	XTZVPSIYNYENFW-UHFFFAOYSA-N	0	0	176.259	3.185	10	0		AGAERN
Cc1ccc([C@@H](C)C[C@@H](C)O)cc1C	82812266	573208365	/nfs/dbraw/zinc/20/83/65/573208365.db2.gz	JSFLRIIXQBRMOD-NWDGAFQWSA-N	0	0	192.302	3.178	10	0		AGAERN
Nc1cccc(SC/C=C/Cl)c1	85928228	573208373	/nfs/dbraw/zinc/20/83/73/573208373.db2.gz	KGDAJDFBYLQNSA-GORDUTHDSA-N	0	0	199.706	3.113	10	0		AGAERN
Cc1ccc([C@H](C)C[C@@H](C)O)c(C)c1	82812298	573208406	/nfs/dbraw/zinc/20/84/06/573208406.db2.gz	UOLAVBLEYHFNMA-VXGBXAGGSA-N	0	0	192.302	3.178	10	0		AGAERN
CCc1cc2c(c3[nH]ccc13)CCC2	238312681	573208432	/nfs/dbraw/zinc/20/84/32/573208432.db2.gz	WEBAWVQZOMMJNF-UHFFFAOYSA-N	0	0	185.270	3.219	10	0		AGAERN
CC[C@@H](C)Sc1ccc(N)c(F)c1	85935790	573208467	/nfs/dbraw/zinc/20/84/67/573208467.db2.gz	BZBJLEXKGYCWST-SSDOTTSWSA-N	0	0	199.294	3.299	10	0		AGAERN
CC(C)=CCSc1cccc(N)c1	85927866	573211496	/nfs/dbraw/zinc/21/14/96/573211496.db2.gz	MSVOIWZFLOEHMY-UHFFFAOYSA-N	0	0	193.315	3.327	10	0		AGAERN
CCc1c[nH]c2c(C)c(C)ccc12	238307577	573211539	/nfs/dbraw/zinc/21/15/39/573211539.db2.gz	ROCBYMPLDHEXBH-UHFFFAOYSA-N	0	0	173.259	3.347	10	0		AGAERN
CC[C@H]1CC[C@@H](C(C)C)C(=O)C1	238307175	573214351	/nfs/dbraw/zinc/21/43/51/573214351.db2.gz	QLXPAXWBHWMXIP-UWVGGRQHSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCCC[C@H](O)c1[nH]cc(C)c1C	308517689	573214413	/nfs/dbraw/zinc/21/44/13/573214413.db2.gz	GBRQWMDRCSRUMO-NSHDSACASA-N	0	0	195.306	3.245	10	0		AGAERN
Cc1cccc(C)c1-c1ccncc1	47216096	573214561	/nfs/dbraw/zinc/21/45/61/573214561.db2.gz	UPIXYKOYHIIVAS-UHFFFAOYSA-N	0	0	183.254	3.365	10	0		AGAERN
CCc1c[nH]c2ccc(F)c(C)c12	238308736	573218004	/nfs/dbraw/zinc/21/80/04/573218004.db2.gz	VLILMMXZXYLLNU-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
CC(C)CC1(O)C[C@@H](C)C[C@H](C)C1	82831582	573218044	/nfs/dbraw/zinc/21/80/44/573218044.db2.gz	MJDGGDTXVOBEAK-QWRGUYRKSA-N	0	0	184.323	3.220	10	0		AGAERN
CCc1c[nH]c2c(OC)c(C)ccc12	238308201	573218057	/nfs/dbraw/zinc/21/80/57/573218057.db2.gz	AMMMZWGBJFDUCX-UHFFFAOYSA-N	0	0	189.258	3.047	10	0		AGAERN
CCc1nc2c(C)cc(F)cc2s1	238308929	573218155	/nfs/dbraw/zinc/21/81/55/573218155.db2.gz	XREDTTYHSCRGTH-UHFFFAOYSA-N	0	0	195.262	3.306	10	0		AGAERN
CCc1cccc2ccn(CC)c12	123862476	573218175	/nfs/dbraw/zinc/21/81/75/573218175.db2.gz	JCFCMCCLVKDBEX-UHFFFAOYSA-N	0	0	173.259	3.224	10	0		AGAERN
CCCC(=O)C1C[C@@H](C)C[C@H](C)C1	82833263	573218234	/nfs/dbraw/zinc/21/82/34/573218234.db2.gz	XCYCFIPSEMOISG-UWVGGRQHSA-N	0	0	182.307	3.428	10	0		AGAERN
CCc1c[nH]c2c(F)ccc(F)c12	238308003	573218238	/nfs/dbraw/zinc/21/82/38/573218238.db2.gz	JZXMNDRAICOHQX-UHFFFAOYSA-N	0	0	181.185	3.009	10	0		AGAERN
CCCC[C@H](c1ccccc1)[C@@H](C)O	238794527	573218301	/nfs/dbraw/zinc/21/83/01/573218301.db2.gz	UFRWQKRJEVFDAY-YPMHNXCESA-N	0	0	192.302	3.341	10	0		AGAERN
CCc1c[nH]c2c(F)cc(C)cc12	238307912	573218330	/nfs/dbraw/zinc/21/83/30/573218330.db2.gz	GIGWGDCCNKECPC-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
CCc1c[nH]c2c(C)ccc(F)c12	238307758	573218503	/nfs/dbraw/zinc/21/85/03/573218503.db2.gz	WKHQOHOLHMPHGJ-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
CCc1c[nH]c2ccc(C)c(C)c12	238308685	573218527	/nfs/dbraw/zinc/21/85/27/573218527.db2.gz	JRMKFIGWTINVPG-UHFFFAOYSA-N	0	0	173.259	3.347	10	0		AGAERN
CCc1cccc2c(O)ccc(C)c12	238307640	573218561	/nfs/dbraw/zinc/21/85/61/573218561.db2.gz	PNOQDNWCCJPGPR-UHFFFAOYSA-N	0	0	186.254	3.416	10	0		AGAERN
CCc1c[nH]c2c(OC)ccc(C)c12	238308294	573218874	/nfs/dbraw/zinc/21/88/74/573218874.db2.gz	JOPWMDVKTMREOC-UHFFFAOYSA-N	0	0	189.258	3.047	10	0		AGAERN
C[C@@H]1CC(C2(O)CCCC2)C[C@@H](C)C1	82832985	573218905	/nfs/dbraw/zinc/21/89/05/573218905.db2.gz	MTGDDVGOGVXURD-QWRGUYRKSA-N	0	0	196.334	3.364	10	0		AGAERN
CCc1c[nH]c2c(C)ccc(C)c12	238307740	573218955	/nfs/dbraw/zinc/21/89/55/573218955.db2.gz	XXCSDXHLUOVFHR-UHFFFAOYSA-N	0	0	173.259	3.347	10	0		AGAERN
C[C@H]1CC([C@H](O)C(C)(C)C)C[C@H](C)C1	82833135	573219006	/nfs/dbraw/zinc/21/90/06/573219006.db2.gz	XNZNHLZTLPLJMP-FOGDFJRCSA-N	0	0	198.350	3.466	10	0		AGAERN
CCC(=O)C1C[C@@H](C)C[C@H](C)C1	82833257	573219062	/nfs/dbraw/zinc/21/90/62/573219062.db2.gz	PWVPDRJOQNCHFD-IUCAKERBSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@@H]1CC2=NC(=S)SC2[C@H](C)C1	82831982	573219100	/nfs/dbraw/zinc/21/91/00/573219100.db2.gz	FSFLTWWKCSDONG-NTSWFWBYSA-N	0	0	199.344	3.118	10	0		AGAERN
Cc1ccn(C2C[C@H](C)C[C@@H](C)C2)n1	82833894	573219110	/nfs/dbraw/zinc/21/91/10/573219110.db2.gz	AEWIYBZXZCGFIO-NXEZZACHSA-N	0	0	192.306	3.189	10	0		AGAERN
CCc1c[nH]c2c(C)cc(F)cc12	238307670	573219159	/nfs/dbraw/zinc/21/91/59/573219159.db2.gz	GNZYZJUTUBMUQW-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
CCc1cc(Cl)c2oncc2c1	238308405	573219212	/nfs/dbraw/zinc/21/92/12/573219212.db2.gz	VABVDQKIHGHQRE-UHFFFAOYSA-N	0	0	181.622	3.044	10	0		AGAERN
CCc1c[nH]c2c(F)ccc(C)c12	238307991	573219231	/nfs/dbraw/zinc/21/92/31/573219231.db2.gz	GTFQNNDFIXUBAL-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
CC[C@H](C)C1CCC([C@@H](C)O)CC1	238308659	573219248	/nfs/dbraw/zinc/21/92/48/573219248.db2.gz	QCSQWBVWOOPNCU-DMOGRIERSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(=O)CCC1C[C@H](C)C[C@@H](C)C1	82833950	573219257	/nfs/dbraw/zinc/21/92/57/573219257.db2.gz	QMJHMYHVXFXWCI-NXEZZACHSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)CCC1C[C@@H](C)C[C@H](C)C1	82833949	573219265	/nfs/dbraw/zinc/21/92/65/573219265.db2.gz	QMJHMYHVXFXWCI-UWVGGRQHSA-N	0	0	182.307	3.428	10	0		AGAERN
CCc1cccc2ccn(CCF)c12	123862203	573219340	/nfs/dbraw/zinc/21/93/40/573219340.db2.gz	IZGMHKQANMMAOZ-UHFFFAOYSA-N	0	0	191.249	3.173	10	0		AGAERN
CC(C)CC1(O)C[C@@H](C)C[C@@H](C)C1	82831581	573219358	/nfs/dbraw/zinc/21/93/58/573219358.db2.gz	MJDGGDTXVOBEAK-FOSCPWQOSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@@H]1C[C@@H](C)CC(O)(C2CCCC2)C1	82831728	573220514	/nfs/dbraw/zinc/22/05/14/573220514.db2.gz	WWOVJMPURICPDW-GHMZBOCLSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@H]1CC([C@](C)(O)C2CC2)C[C@H](C)C1	82833005	573220597	/nfs/dbraw/zinc/22/05/97/573220597.db2.gz	FOHCFWQZGPGKQP-GIPNMCIBSA-N	0	0	196.334	3.220	10	0		AGAERN
CCc1cc(C)cc2cnsc12	238320575	573220818	/nfs/dbraw/zinc/22/08/18/573220818.db2.gz	MUUXOUDTBZHWNH-UHFFFAOYSA-N	0	0	177.272	3.167	10	0		AGAERN
CCc1c(C)cc(C)c(C)c1OC	226107277	573220917	/nfs/dbraw/zinc/22/09/17/573220917.db2.gz	IJKAJTSSGPRRJB-UHFFFAOYSA-N	0	0	178.275	3.183	10	0		AGAERN
C[C@@H]1CC2=NC(=S)SC2[C@@H](C)C1	82831984	573220943	/nfs/dbraw/zinc/22/09/43/573220943.db2.gz	FSFLTWWKCSDONG-WDSKDSINSA-N	0	0	199.344	3.118	10	0		AGAERN
CCc1nc2c(F)c(C)ccc2s1	238309373	573221042	/nfs/dbraw/zinc/22/10/42/573221042.db2.gz	UYGVRDBNJVOSCS-UHFFFAOYSA-N	0	0	195.262	3.306	10	0		AGAERN
CC(C)[C@@H](O)C1C[C@H](C)C[C@@H](C)C1	82833073	573221058	/nfs/dbraw/zinc/22/10/58/573221058.db2.gz	BFAPEGZCFYIJCH-CKYFFXLPSA-N	0	0	184.323	3.076	10	0		AGAERN
CCC(CC)c1nc(C=O)c(C)s1	259382618	573224184	/nfs/dbraw/zinc/22/41/84/573224184.db2.gz	HHYWHVYLMIESQO-UHFFFAOYSA-N	0	0	197.303	3.168	10	0		AGAERN
Cc1cccc2c1ccn2CCCF	123875016	573224693	/nfs/dbraw/zinc/22/46/93/573224693.db2.gz	PIAHJXLUNBMUIW-UHFFFAOYSA-N	0	0	191.249	3.309	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1cccc(C)c1F	123869087	573224719	/nfs/dbraw/zinc/22/47/19/573224719.db2.gz	QWOIBMHWOQWHEA-QPUJVOFHSA-N	0	0	196.265	3.214	10	0		AGAERN
CCC(CC)C[C@]1(O)C[C@H](C)[C@H]1C	308312135	573226816	/nfs/dbraw/zinc/22/68/16/573226816.db2.gz	SJEKNXRFLDTDQI-HOSYDEDBSA-N	0	0	184.323	3.220	10	0		AGAERN
Oc1c(F)cccc1C1CCCC1	259386127	573226831	/nfs/dbraw/zinc/22/68/31/573226831.db2.gz	HNFIHLPOTCUKON-UHFFFAOYSA-N	0	0	180.222	3.189	10	0		AGAERN
CC(C)C[C@]1(O)CC[C@@H](C)[C@@H](C)C1	82838659	573227860	/nfs/dbraw/zinc/22/78/60/573227860.db2.gz	BFKOHZPZGZNSFC-GRYCIOLGSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@H]1C[C@@H]([C@](C)(O)C2CC2)CC[C@H]1C	82842504	573229534	/nfs/dbraw/zinc/22/95/34/573229534.db2.gz	FONSQUCKDOEZKL-RSLMWUCJSA-N	0	0	196.334	3.220	10	0		AGAERN
CCc1cc(CC)c(CC)c(C)c1O	238322228	573229535	/nfs/dbraw/zinc/22/95/35/573229535.db2.gz	SJECPTWTXCBQAH-UHFFFAOYSA-N	0	0	192.302	3.388	10	0		AGAERN
CCCCC/C=C1/CCCO1	104832528	573229645	/nfs/dbraw/zinc/22/96/45/573229645.db2.gz	GIROVIKDRVUXHR-YFHOEESVSA-N	0	0	154.253	3.261	10	0		AGAERN
CCC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1	82843157	573229685	/nfs/dbraw/zinc/22/96/85/573229685.db2.gz	HEUNEZRCTUKWSB-IVZWLZJFSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@H](C)[C@H](O)C1CCC(C)CC1	82848951	573229726	/nfs/dbraw/zinc/22/97/26/573229726.db2.gz	LRDOYPVQXRZHFO-ADPBJBESSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1nccn1[C@@H]1CC[C@H](C)[C@H](C)C1	82844869	573229782	/nfs/dbraw/zinc/22/97/82/573229782.db2.gz	FARGCGTULCWSQY-HOSYDEDBSA-N	0	0	192.306	3.189	10	0		AGAERN
Cc1cc(C)c(Cl)c([C@H](C)CO)c1	258243020	573234242	/nfs/dbraw/zinc/23/42/42/573234242.db2.gz	WZFPRSWZVJMHLQ-SECBINFHSA-N	0	0	198.693	3.053	10	0		AGAERN
CC(C)=C[C@]1(O)CCCC(C)(C)C1	86020740	573234255	/nfs/dbraw/zinc/23/42/55/573234255.db2.gz	LDVPCKAZOURLAX-GFCCVEGCSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)=C[C@@H](O)c1sccc1C	86019448	573234318	/nfs/dbraw/zinc/23/43/18/573234318.db2.gz	CBJPTEFEKVQLKD-SECBINFHSA-N	0	0	182.288	3.056	10	0		AGAERN
CC(C)=C[C@]1(O)C[C@H](C)CC[C@H]1C	86021056	573234435	/nfs/dbraw/zinc/23/44/35/573234435.db2.gz	OYGMTOLFWCUHLL-UTUOFQBUSA-N	0	0	182.307	3.140	10	0		AGAERN
CC1=C(/C=C\[C@H](C)O)[C@@H](C(C)C)CC1	308524775	573234437	/nfs/dbraw/zinc/23/44/37/573234437.db2.gz	ATIHJYREBLIHNK-CNNCQTGTSA-N	0	0	194.318	3.306	10	0		AGAERN
CCc1ccc([C@@H](O)C=C(C)C)s1	86020033	573234449	/nfs/dbraw/zinc/23/44/49/573234449.db2.gz	WQKZFFPSAAGUHX-JTQLQIEISA-N	0	0	196.315	3.310	10	0		AGAERN
CC(C)=C[C@]1(O)CCC[C@H](C)[C@H]1C	86020983	573234471	/nfs/dbraw/zinc/23/44/71/573234471.db2.gz	UKUHRTUBVXJQQL-QJPTWQEYSA-N	0	0	182.307	3.140	10	0		AGAERN
CC(C)=C[C@@H](O)c1cc(C)sc1C	86020090	573234499	/nfs/dbraw/zinc/23/44/99/573234499.db2.gz	IMVUFPRTGDXZKF-LLVKDONJSA-N	0	0	196.315	3.365	10	0		AGAERN
CC(C)=C[C@]1(O)CC[C@H](C)[C@@H](C)C1	86020946	573234626	/nfs/dbraw/zinc/23/46/26/573234626.db2.gz	NHSCYDPUAXUHNC-SDDRHHMPSA-N	0	0	182.307	3.140	10	0		AGAERN
CC(C)=C[C@H](O)c1cccc(C)c1C	86019747	573234635	/nfs/dbraw/zinc/23/46/35/573234635.db2.gz	LWCOLFZBRBVGLC-ZDUSSCGKSA-N	0	0	190.286	3.303	10	0		AGAERN
CC(C)=C[C@H](O)c1cccc(Cl)c1	86019389	573234645	/nfs/dbraw/zinc/23/46/45/573234645.db2.gz	MJKOSBNTXTZHSY-NSHDSACASA-N	0	0	196.677	3.340	10	0		AGAERN
CC[C@@H]1CCC[C@@](O)(C=C(C)C)C1	86020654	573234665	/nfs/dbraw/zinc/23/46/65/573234665.db2.gz	KKDYMLSMPCUUBA-VXGBXAGGSA-N	0	0	182.307	3.284	10	0		AGAERN
CCc1ccccc1[C@@H](O)C=C(C)C	86020070	573234674	/nfs/dbraw/zinc/23/46/74/573234674.db2.gz	KWKIUGNYDBPSAF-ZDUSSCGKSA-N	0	0	190.286	3.249	10	0		AGAERN
CC1CCC([C@@H]2CCCC2=O)CC1	82856295	573234709	/nfs/dbraw/zinc/23/47/09/573234709.db2.gz	HIOLMGASKNMIMU-ILDUYXDCSA-N	0	0	180.291	3.182	10	0		AGAERN
CCC1CCC(C(=O)C(C)C)CC1	82849215	573235216	/nfs/dbraw/zinc/23/52/16/573235216.db2.gz	FUQNPZGKEYGXPK-UHFFFAOYSA-N	0	0	182.307	3.428	10	0		AGAERN
CCCCOc1c(C)ccc(N)c1C	50122988	573235255	/nfs/dbraw/zinc/23/52/55/573235255.db2.gz	MCHFLAWPOOMFLY-UHFFFAOYSA-N	0	0	193.290	3.065	10	0		AGAERN
CCCCCC/C(C)=C\[C@H](C)O	221193939	573235330	/nfs/dbraw/zinc/23/53/30/573235330.db2.gz	QFWPEYPJNJVJCV-JUDLJHIGSA-N	0	0	170.296	3.284	10	0		AGAERN
C/C=C(/CC)C[C@@H]1CCCC1=O	205559673	573235346	/nfs/dbraw/zinc/23/53/46/573235346.db2.gz	TYTNULVUJOGQMY-BNFOFFDWSA-N	0	0	166.264	3.102	10	0		AGAERN
CCCOc1cccc(CCC)c1N	308527507	573235404	/nfs/dbraw/zinc/23/54/04/573235404.db2.gz	BNAKIJLWMLLAFG-UHFFFAOYSA-N	0	0	193.290	3.010	10	0		AGAERN
CCC1CCC(C(=O)C2CC2)CC1	82849220	573235678	/nfs/dbraw/zinc/23/56/78/573235678.db2.gz	AEXOOOKCKKQYSN-UHFFFAOYSA-N	0	0	180.291	3.182	10	0		AGAERN
CNc1c(C)cc(C)c2ccccc12	238322577	573235694	/nfs/dbraw/zinc/23/56/94/573235694.db2.gz	WQXNFILOGGXDOS-UHFFFAOYSA-N	0	0	185.270	3.498	10	0		AGAERN
Cc1c[nH]c(C(=O)CCC(C)C)c1C	308527986	573236010	/nfs/dbraw/zinc/23/60/10/573236010.db2.gz	JKNQIXMFMYUJHV-UHFFFAOYSA-N	0	0	193.290	3.250	10	0		AGAERN
CCC1CCC([C@@H]2CC[C@H](O)C2)CC1	82856807	573238661	/nfs/dbraw/zinc/23/86/61/573238661.db2.gz	HFVKQDBJDYGWNU-TUUUFIMRSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(=O)CCC1CCC(C)CC1	82856561	573238730	/nfs/dbraw/zinc/23/87/30/573238730.db2.gz	NUSZJAOLRQHBSV-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@H]1C[C@H](C)c2c(N)cccc21	238323876	573238864	/nfs/dbraw/zinc/23/88/64/573238864.db2.gz	IYKOILPRWKXKSB-IUCAKERBSA-N	0	0	175.275	3.270	10	0		AGAERN
CCc1cc2c(C)c(OC)ccc2[nH]1	238315020	573238928	/nfs/dbraw/zinc/23/89/28/573238928.db2.gz	LFDBQOQCPJGLKY-UHFFFAOYSA-N	0	0	189.258	3.047	10	0		AGAERN
C[C@H]1CC[C@@H](C)c2nnc(Cl)cc21	82857553	573239066	/nfs/dbraw/zinc/23/90/66/573239066.db2.gz	ILUCPSVSRHJTAH-NKWVEPMBSA-N	0	0	196.681	3.131	10	0		AGAERN
C[C@H]1CC[C@@H](C)C2SC(=S)N=C21	82859967	573239122	/nfs/dbraw/zinc/23/91/22/573239122.db2.gz	SMCATANNVMAXAW-NTSWFWBYSA-N	0	0	199.344	3.433	10	0		AGAERN
Cc1ccsc1NCC(F)(F)F	259041102	573239207	/nfs/dbraw/zinc/23/92/07/573239207.db2.gz	JASLRYWMQMWUCJ-UHFFFAOYSA-N	0	0	195.209	3.031	10	0		AGAERN
CCc1cc2c(C)c(C)oc2cc1O	238314941	573239208	/nfs/dbraw/zinc/23/92/08/573239208.db2.gz	BPRAFQKGJZDACL-UHFFFAOYSA-N	0	0	190.242	3.318	10	0		AGAERN
CC[C@H](O)[C@H]1CC(=C(C)C)CC=C1C	238314730	573239216	/nfs/dbraw/zinc/23/92/16/573239216.db2.gz	WLJXKKRTDGIXPQ-STQMWFEESA-N	0	0	194.318	3.450	10	0		AGAERN
C[C@@H]1Cc2sc(=S)[nH]c2[C@H](C)C1	82859972	573240474	/nfs/dbraw/zinc/24/04/74/573240474.db2.gz	LLKGPLUPTCGZPD-NTSWFWBYSA-N	0	0	199.344	3.118	10	0		AGAERN
C[C@H]1C[C@@H](C)Cc2sc(=S)[nH]c21	82859975	573240489	/nfs/dbraw/zinc/24/04/89/573240489.db2.gz	LLKGPLUPTCGZPD-RITPCOANSA-N	0	0	199.344	3.118	10	0		AGAERN
C[C@@H]1c2[nH]c(=S)sc2CC[C@H]1C	82859970	573240503	/nfs/dbraw/zinc/24/05/03/573240503.db2.gz	ATKIGKWWJWRJIE-RITPCOANSA-N	0	0	199.344	3.118	10	0		AGAERN
CC1CCC([C@@H]2CCC[C@H](O)C2)CC1	82856811	573240521	/nfs/dbraw/zinc/24/05/21/573240521.db2.gz	OBLVTBVADCEKDF-TUUUFIMRSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@@H]1CC[C@@H](C)c2nnc(Cl)cc21	82857552	573240652	/nfs/dbraw/zinc/24/06/52/573240652.db2.gz	ILUCPSVSRHJTAH-RNFRBKRXSA-N	0	0	196.681	3.131	10	0		AGAERN
CNc1nc2c(s1)[C@@H](C)CC[C@H]2C	82857140	573240697	/nfs/dbraw/zinc/24/06/97/573240697.db2.gz	NASKQFWQSGKQPA-RQJHMYQMSA-N	0	0	196.319	3.186	10	0		AGAERN
CC[C@H]1C[C@H](C)c2ccc(O)cc2N1	238314701	573240748	/nfs/dbraw/zinc/24/07/48/573240748.db2.gz	CPDXGPAPUOLGEO-IUCAKERBSA-N	0	0	191.274	3.090	10	0		AGAERN
CC1CCC([C@H]2CCC[C@@H](O)C2)CC1	82856814	573240855	/nfs/dbraw/zinc/24/08/55/573240855.db2.gz	OBLVTBVADCEKDF-IFWUJCSASA-N	0	0	196.334	3.364	10	0		AGAERN
CCc1cc2c(C)c(F)ccc2[nH]1	238314984	573240889	/nfs/dbraw/zinc/24/08/89/573240889.db2.gz	PYWWOPGJBDKBEQ-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
C[C@H]1CCc2sc(=S)[nH]c2[C@@H]1C	82859969	573240914	/nfs/dbraw/zinc/24/09/14/573240914.db2.gz	ATKIGKWWJWRJIE-NTSWFWBYSA-N	0	0	199.344	3.118	10	0		AGAERN
C[C@H]1CC=C2C[C@@H](O)CC[C@]2(C)[C@H]1C	105179588	573241060	/nfs/dbraw/zinc/24/10/60/573241060.db2.gz	YYLHWDZLSYWUAF-XRRVDJEJSA-N	0	0	194.318	3.140	10	0		AGAERN
CC1CCC([C@@H](C)C[C@H](C)O)CC1	82856852	573241063	/nfs/dbraw/zinc/24/10/63/573241063.db2.gz	ZLUBYVQSFFVEML-YECOWLKZSA-N	0	0	184.323	3.220	10	0		AGAERN
CNc1nc2c(s1)[C@H](C)CC[C@H]2C	82857142	573241423	/nfs/dbraw/zinc/24/14/23/573241423.db2.gz	NASKQFWQSGKQPA-RNFRBKRXSA-N	0	0	196.319	3.186	10	0		AGAERN
C[C@@H]1CCc2sc(=S)[nH]c2[C@@H]1C	82859968	573241523	/nfs/dbraw/zinc/24/15/23/573241523.db2.gz	ATKIGKWWJWRJIE-PHDIDXHHSA-N	0	0	199.344	3.118	10	0		AGAERN
CCc1cc2c(OC)cc(C)cc2[nH]1	238316230	573241555	/nfs/dbraw/zinc/24/15/55/573241555.db2.gz	AHNVMSVSJHWADP-UHFFFAOYSA-N	0	0	189.258	3.047	10	0		AGAERN
CCc1cc2c(C)ccc(OC)c2[nH]1	238315254	573241598	/nfs/dbraw/zinc/24/15/98/573241598.db2.gz	NMWBBQGSIOZWJL-UHFFFAOYSA-N	0	0	189.258	3.047	10	0		AGAERN
C/C=C/C[C@@](C)(COC(C)=O)C(C)C	308325985	573242012	/nfs/dbraw/zinc/24/20/12/573242012.db2.gz	PKWHXMJRGDNNTK-SYTKJHMZSA-N	0	0	198.306	3.178	10	0		AGAERN
CC[C@H]1Cc2c(O)cccc2[C@H]1C	238315237	573242018	/nfs/dbraw/zinc/24/20/18/573242018.db2.gz	DBHYDABFODGOLD-IUCAKERBSA-N	0	0	176.259	3.078	10	0		AGAERN
CCc1nccn1C1CCC(C)CC1	82856499	573242089	/nfs/dbraw/zinc/24/20/89/573242089.db2.gz	UFGNXTRNVQZNHF-UHFFFAOYSA-N	0	0	192.306	3.197	10	0		AGAERN
CC(C)=C[C@H](C)CC[C@H](O)C(C)C	77951728	573242091	/nfs/dbraw/zinc/24/20/91/573242091.db2.gz	BTFKEKXNJKXNJF-NEPJUHHUSA-N	0	0	184.323	3.386	10	0		AGAERN
CC1CCC([C@H]2CCC(=O)C2)CC1	82856558	573242184	/nfs/dbraw/zinc/24/21/84/573242184.db2.gz	YSJBSPUKDGRXPQ-ILDUYXDCSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@H](CO)C[C@H]1CCC[C@@H](C)C1	308320656	573242213	/nfs/dbraw/zinc/24/22/13/573242213.db2.gz	AYPNKINWYDVYGA-WOPDTQHZSA-N	0	0	184.323	3.221	10	0		AGAERN
CC[C@H](CO)C[C@H]1CCC[C@H](C)C1	308320655	573242676	/nfs/dbraw/zinc/24/26/76/573242676.db2.gz	AYPNKINWYDVYGA-SRVKXCTJSA-N	0	0	184.323	3.221	10	0		AGAERN
CCC[C@@H](CC(C)=O)C(C)(C)C	238794917	573242696	/nfs/dbraw/zinc/24/26/96/573242696.db2.gz	QYQIMRITEVUAFZ-JTQLQIEISA-N	0	0	170.296	3.428	10	0		AGAERN
CCC(=O)[C@H](CC)[Si](C)(C)C	238315823	573242864	/nfs/dbraw/zinc/24/28/64/573242864.db2.gz	CQINBXLHPFGCBG-VIFPVBQESA-N	0	0	172.344	3.084	10	0		AGAERN
CC[C@H](CO)C[C@@H]1CCC[C@@H](C)C1	308320653	573242908	/nfs/dbraw/zinc/24/29/08/573242908.db2.gz	AYPNKINWYDVYGA-GRYCIOLGSA-N	0	0	184.323	3.221	10	0		AGAERN
CCc1cc2c(OC)c(C)ccc2[nH]1	238316153	573242978	/nfs/dbraw/zinc/24/29/78/573242978.db2.gz	XEVAHIAMAYFPIB-UHFFFAOYSA-N	0	0	189.258	3.047	10	0		AGAERN
C[C@H]1CC[C@@H](C)C[C@@]1(O)C1CCCC1	82861578	573243019	/nfs/dbraw/zinc/24/30/19/573243019.db2.gz	GZJOOWYMPPRZTG-MDZLAQPJSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@H]1Cc2ccccc2N[C@H]1C	238315662	573243076	/nfs/dbraw/zinc/24/30/76/573243076.db2.gz	QWIVLOJDUYHTFD-UWVGGRQHSA-N	0	0	175.275	3.069	10	0		AGAERN
CC(C)=C[C@@H](C)CC[C@H](O)C(C)C	77951732	573243086	/nfs/dbraw/zinc/24/30/86/573243086.db2.gz	BTFKEKXNJKXNJF-RYUDHWBXSA-N	0	0	184.323	3.386	10	0		AGAERN
CCc1cc2c(C)ccc(F)c2[nH]1	238315233	573243127	/nfs/dbraw/zinc/24/31/27/573243127.db2.gz	OTZNALNNPGDQCH-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
CCc1cc(C(C)=O)c(C)cc1C	238315639	573243161	/nfs/dbraw/zinc/24/31/61/573243161.db2.gz	GRZIEUVIKRIGSF-UHFFFAOYSA-N	0	0	176.259	3.068	10	0		AGAERN
CCC(=O)C(C)(C)c1ccc(F)cc1	82864336	573243275	/nfs/dbraw/zinc/24/32/75/573243275.db2.gz	GLELQTAPQXNJEE-UHFFFAOYSA-N	0	0	194.249	3.082	10	0		AGAERN
CC[C@H]1Cc2ccccc2N[C@@H]1CC	238315653	573243293	/nfs/dbraw/zinc/24/32/93/573243293.db2.gz	ZGSTZXJBXBRXEC-CMPLNLGQSA-N	0	0	189.302	3.459	10	0		AGAERN
CCC(F)(F)c1ccc2c(c1)CCO2	259043838	573243305	/nfs/dbraw/zinc/24/33/05/573243305.db2.gz	UEHPNJXDHDYSIZ-UHFFFAOYSA-N	0	0	198.212	3.123	10	0		AGAERN
CC(C)C[C@]1(O)CCC[C@H](C)[C@H]1C	82861081	573243454	/nfs/dbraw/zinc/24/34/54/573243454.db2.gz	DGQXQAVZBWBYNZ-QJPTWQEYSA-N	0	0	184.323	3.220	10	0		AGAERN
CCc1cc2c(C)cc(F)cc2[nH]1	238315133	573243561	/nfs/dbraw/zinc/24/35/61/573243561.db2.gz	YOKSBPWEBILXST-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
C[C@H]1[C@H](C)CC=C2C[C@@H](O)CC[C@@]21C	105179599	573243572	/nfs/dbraw/zinc/24/35/72/573243572.db2.gz	YYLHWDZLSYWUAF-RSLMWUCJSA-N	0	0	194.318	3.140	10	0		AGAERN
CCCC[C@@H](C)Nc1ccc(F)cn1	50889370	573243721	/nfs/dbraw/zinc/24/37/21/573243721.db2.gz	QJBMRBKPSHKMIL-SECBINFHSA-N	0	0	196.269	3.211	10	0		AGAERN
CC(C)=C[C@@H](C)CC[C@@H](O)C(C)C	77951731	573243782	/nfs/dbraw/zinc/24/37/82/573243782.db2.gz	BTFKEKXNJKXNJF-NWDGAFQWSA-N	0	0	184.323	3.386	10	0		AGAERN
CC(C)C[C@]1(O)C[C@H](C)CC[C@H]1C	82861464	573246044	/nfs/dbraw/zinc/24/60/44/573246044.db2.gz	OTECYXZMYAFEOU-UTUOFQBUSA-N	0	0	184.323	3.220	10	0		AGAERN
CCc1cc2c(C)cc(C)cc2[nH]1	238315091	573245460	/nfs/dbraw/zinc/24/54/60/573245460.db2.gz	HJRFDXHICHRRGB-UHFFFAOYSA-N	0	0	173.259	3.347	10	0		AGAERN
CC(C)SCc1ccc(F)cc1N	82864701	573245462	/nfs/dbraw/zinc/24/54/62/573245462.db2.gz	FIWIOBOLDKBKFX-UHFFFAOYSA-N	0	0	199.294	3.050	10	0		AGAERN
C[C@@H]1CC[C@@](O)(C2CCCC2)[C@H](C)C1	82861388	573245558	/nfs/dbraw/zinc/24/55/58/573245558.db2.gz	YYPMLBQDHYFJDJ-WZRBSPASSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)C[C@]1(O)C[C@H](C)CC[C@@H]1C	82861462	573245811	/nfs/dbraw/zinc/24/58/11/573245811.db2.gz	OTECYXZMYAFEOU-WOPDTQHZSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@]1(O)CC[C@H](C)C[C@H]1C	82861273	573246506	/nfs/dbraw/zinc/24/65/06/573246506.db2.gz	ZRGSQTOLHHQSCB-QJPTWQEYSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@@H]1CCC[C@](O)(C2CCCC2)[C@@H]1C	82861194	573246727	/nfs/dbraw/zinc/24/67/27/573246727.db2.gz	LQVXJOAQWGJKSW-NQBHXWOUSA-N	0	0	196.334	3.364	10	0		AGAERN
CCCCCNc1cccs1	116118775	573246789	/nfs/dbraw/zinc/24/67/89/573246789.db2.gz	JKANXVCJRNZUJH-UHFFFAOYSA-N	0	0	169.293	3.350	10	0		AGAERN
CCc1cc2cc(C)cc(C)c2[nH]1	238316830	573246829	/nfs/dbraw/zinc/24/68/29/573246829.db2.gz	PHZIGGYXSCMWTL-UHFFFAOYSA-N	0	0	173.259	3.347	10	0		AGAERN
CCc1cc(C(C)C)ccc1C=O	238317043	573246922	/nfs/dbraw/zinc/24/69/22/573246922.db2.gz	IFQHYSCQANLWCB-UHFFFAOYSA-N	0	0	176.259	3.185	10	0		AGAERN
CCc1cc2cc(OC)cc(C)c2[nH]1	238317520	573247035	/nfs/dbraw/zinc/24/70/35/573247035.db2.gz	UZFLKUFBAWTALE-UHFFFAOYSA-N	0	0	189.258	3.047	10	0		AGAERN
CC[C@]1(C)C=C2CCCC[C@H]2C1=O	238317338	573247078	/nfs/dbraw/zinc/24/70/78/573247078.db2.gz	CYGPYHIGWFJETO-ZYHUDNBSSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@H](C)Oc1ccccc1F	82865126	573249335	/nfs/dbraw/zinc/24/93/35/573249335.db2.gz	GUKTVTDRHRCSDX-QMMMGPOBSA-N	0	0	168.211	3.003	10	0		AGAERN
Cc1ccc(NC[C@]2(C)C[C@@H]2C)cc1	714661799	573249353	/nfs/dbraw/zinc/24/93/53/573249353.db2.gz	XCCNPEUCEWVKMY-AAEUAGOBSA-N	0	0	189.302	3.453	10	0		AGAERN
CCC(C)(C)[C@H]1CC[C@@H](C)CC1=O	82865386	573249462	/nfs/dbraw/zinc/24/94/62/573249462.db2.gz	ZWJCAORPRZIDDP-ZJUUUORDSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H](O)c1c(C)cccc1Cl	238316814	573249593	/nfs/dbraw/zinc/24/95/93/573249593.db2.gz	JWCJIILTEBJKDH-VIFPVBQESA-N	0	0	184.666	3.092	10	0		AGAERN
CC[C@]1(C(C)C)Cc2ccccc2N1	238316469	573249622	/nfs/dbraw/zinc/24/96/22/573249622.db2.gz	YBHKBHDVHDQFMF-CYBMUJFWSA-N	0	0	189.302	3.459	10	0		AGAERN
c1ccc2cc3[nH]ccc3cc2c1	116182878	573249766	/nfs/dbraw/zinc/24/97/66/573249766.db2.gz	FLJIWUNZRZLSME-UHFFFAOYSA-N	0	0	167.211	3.321	10	0		AGAERN
C[C@H]1CC[C@H](C(C)(C)C2CC2)C(=O)C1	82865428	573250876	/nfs/dbraw/zinc/25/08/76/573250876.db2.gz	JAOOHQPVSNYUTI-ONGXEEELSA-N	0	0	194.318	3.428	10	0		AGAERN
CC[C@H]1Nc2ccccc2CC1(C)C	238318736	573253881	/nfs/dbraw/zinc/25/38/81/573253881.db2.gz	CBIYTFAGWXYVBC-GFCCVEGCSA-N	0	0	189.302	3.459	10	0		AGAERN
CCC[C@](O)(C1=CCCCC1)C1CC1	308530439	573253932	/nfs/dbraw/zinc/25/39/32/573253932.db2.gz	JYHHWIUWSRPKFF-ZDUSSCGKSA-N	0	0	194.318	3.428	10	0		AGAERN
FC1(F)CC[C@@H](c2ccco2)C1	258611207	573255751	/nfs/dbraw/zinc/25/57/51/573255751.db2.gz	ATSQSTVRCOUESI-SSDOTTSWSA-N	0	0	172.174	3.182	10	0		AGAERN
Cc1cccc2c([C@H](C)O)csc12	258250746	573255807	/nfs/dbraw/zinc/25/58/07/573255807.db2.gz	RFUXGGVSWGHYSQ-QMMMGPOBSA-N	0	0	192.283	3.263	10	0		AGAERN
CCc1cc2occc2cc1OC	238319570	573256804	/nfs/dbraw/zinc/25/68/04/573256804.db2.gz	HWCJDEQGYZRFEV-UHFFFAOYSA-N	0	0	176.215	3.004	10	0		AGAERN
CCc1cc(C)c(CC)c(CC)c1O	238319415	573256831	/nfs/dbraw/zinc/25/68/31/573256831.db2.gz	IGHQPQNEXQVZHF-UHFFFAOYSA-N	0	0	192.302	3.388	10	0		AGAERN
Cc1coc([C@H](O)CC(C)(C)C)c1	715742343	573256874	/nfs/dbraw/zinc/25/68/74/573256874.db2.gz	CEOCQELXDRWVFY-SECBINFHSA-N	0	0	182.263	3.058	10	0		AGAERN
CCc1cc2oncc2cc1Cl	238319641	573256915	/nfs/dbraw/zinc/25/69/15/573256915.db2.gz	KAQPOUFLXLRTIU-UHFFFAOYSA-N	0	0	181.622	3.044	10	0		AGAERN
Cc1coc([C@H](O)[C@H](C)CC(C)C)c1	715742469	573257034	/nfs/dbraw/zinc/25/70/34/573257034.db2.gz	CYLIUXNOPQZJDQ-ZYHUDNBSSA-N	0	0	196.290	3.304	10	0		AGAERN
CC(C)CC(F)(F)c1ccc(N)cc1	259055306	573257156	/nfs/dbraw/zinc/25/71/56/573257156.db2.gz	VXCINFHXNIFAFH-UHFFFAOYSA-N	0	0	199.244	3.407	10	0		AGAERN
CC[C@]1(C)Nc2ccccc2CP1	238319256	573257230	/nfs/dbraw/zinc/25/72/30/573257230.db2.gz	DZSJNQGUXCXHEJ-LLVKDONJSA-N	0	0	193.230	3.417	10	0		AGAERN
Cc1[nH]c2cc(F)c(F)c(F)c2c1C	86085355	573257252	/nfs/dbraw/zinc/25/72/52/573257252.db2.gz	ZMHKNQVGRVVZSB-UHFFFAOYSA-N	0	0	199.175	3.202	10	0		AGAERN
CC/C=C(/C)C(=O)OC(C)(C)CC	308329315	573257255	/nfs/dbraw/zinc/25/72/55/573257255.db2.gz	HXWKFNQNARJWMX-HJWRWDBZSA-N	0	0	184.279	3.075	10	0		AGAERN
CC[C@H](C)Cc1ccc(O)cc1C	238319457	573257733	/nfs/dbraw/zinc/25/77/33/573257733.db2.gz	RAZISMRJESTCNI-VIFPVBQESA-N	0	0	178.275	3.289	10	0		AGAERN
CCCCCSc1nccc(C)n1	308329242	573257747	/nfs/dbraw/zinc/25/77/47/573257747.db2.gz	HTRABTIPDHTNKP-UHFFFAOYSA-N	0	0	196.319	3.067	10	0		AGAERN
C1=C(Nc2ccccc2)CCC1	116317399	573257752	/nfs/dbraw/zinc/25/77/52/573257752.db2.gz	UKECYFJOQBNKAG-UHFFFAOYSA-N	0	0	159.232	3.166	10	0		AGAERN
CC[C@@H](O)[C@H](C)CC1(CC)CCC1	308329386	573257793	/nfs/dbraw/zinc/25/77/93/573257793.db2.gz	JMAICOPZTTYYOA-GHMZBOCLSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](O)[C@@H](C)CC1(CC)CCC1	308329388	573257800	/nfs/dbraw/zinc/25/78/00/573257800.db2.gz	JMAICOPZTTYYOA-QWRGUYRKSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1coc([C@@H](O)[C@H](C)C(C)(C)C)c1	715743304	573257936	/nfs/dbraw/zinc/25/79/36/573257936.db2.gz	GWNSWZFHNZDOAX-ONGXEEELSA-N	0	0	196.290	3.304	10	0		AGAERN
Cc1ccc2c(c1)c(C)c(Cl)n2C	257980391	573257970	/nfs/dbraw/zinc/25/79/70/573257970.db2.gz	OSQOXZOOWPUWLO-UHFFFAOYSA-N	0	0	193.677	3.449	10	0		AGAERN
CC(=O)[C@@H]1CCC[C@H](C(C)(C)C)C1	221318594	573259978	/nfs/dbraw/zinc/25/99/78/573259978.db2.gz	STHSEFUMNQAGNM-MNOVXSKESA-N	0	0	182.307	3.428	10	0		AGAERN
C/C=C(\C)[C@@]1(C)Cc2ccccc2N1	308332360	573261437	/nfs/dbraw/zinc/26/14/37/573261437.db2.gz	FGOKEWRDEFLOEB-MQSIBISMSA-N	0	0	187.286	3.380	10	0		AGAERN
CCC1(C[C@H](O)C(C)(C)C)CCC1	308331851	573261445	/nfs/dbraw/zinc/26/14/45/573261445.db2.gz	LDDKTEHQSHJAQT-JTQLQIEISA-N	0	0	184.323	3.364	10	0		AGAERN
CCSc1ccc(N(C)CC)cc1	259058687	573261495	/nfs/dbraw/zinc/26/14/95/573261495.db2.gz	KSOSVINWBKIIHW-UHFFFAOYSA-N	0	0	195.331	3.255	10	0		AGAERN
CCCC[C@H](C)Nc1ccc(C)cn1	50889546	573270181	/nfs/dbraw/zinc/27/01/81/573270181.db2.gz	LILLQYTXAZFESR-NSHDSACASA-N	0	0	192.306	3.381	10	0		AGAERN
CCC[C@@H]1CCC[C@@H](C(=O)OCC)C1	259605531	573270449	/nfs/dbraw/zinc/27/04/49/573270449.db2.gz	MKFOKHZBAMXFRI-GHMZBOCLSA-N	0	0	198.306	3.156	10	0		AGAERN
CC(C)CC[C@@H](O)CC1(C)CCC1	308338922	573270710	/nfs/dbraw/zinc/27/07/10/573270710.db2.gz	PUGNQHVJNACHRR-LLVKDONJSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H]1CC(C)(C)c2ccc(O)cc21	142486881	573270780	/nfs/dbraw/zinc/27/07/80/573270780.db2.gz	NNNVVSFQEPTNSP-QMMMGPOBSA-N	0	0	176.259	3.177	10	0		AGAERN
C[C@@H](O)/C=C\c1ccc(C(F)F)cc1	308339313	573271030	/nfs/dbraw/zinc/27/10/30/573271030.db2.gz	BPDCPTFESRLVGF-YAJNLLPGSA-N	0	0	198.212	3.018	10	0		AGAERN
CCCC[C@@H](C)Nc1ccc(C)cn1	50889545	573272895	/nfs/dbraw/zinc/27/28/95/573272895.db2.gz	LILLQYTXAZFESR-LLVKDONJSA-N	0	0	192.306	3.381	10	0		AGAERN
CCC(=O)[C@@H](C)CC(CC)CC	129236673	573273333	/nfs/dbraw/zinc/27/33/33/573273333.db2.gz	VBJUFDVJEWNPSP-VIFPVBQESA-N	0	0	170.296	3.428	10	0		AGAERN
CCC(=O)[C@@H](C)c1ccc(Cl)cc1	86161566	573276019	/nfs/dbraw/zinc/27/60/19/573276019.db2.gz	DMUZDBNNRSHGJQ-QMMMGPOBSA-N	0	0	196.677	3.423	10	0		AGAERN
COc1cccc2[nH]c(Cl)c(C)c12	257990651	573276154	/nfs/dbraw/zinc/27/61/54/573276154.db2.gz	PNRQQFCVSQTRKN-UHFFFAOYSA-N	0	0	195.649	3.138	10	0		AGAERN
CCc1cc(F)cc2ccoc12	238330541	573279129	/nfs/dbraw/zinc/27/91/29/573279129.db2.gz	HOZSHBMXBWLKFV-UHFFFAOYSA-N	0	0	164.179	3.134	10	0		AGAERN
CCCCC(=O)c1cc(C)cc(C)n1	308536548	573279242	/nfs/dbraw/zinc/27/92/42/573279242.db2.gz	LMCRTNOUJJCJJV-UHFFFAOYSA-N	0	0	191.274	3.071	10	0		AGAERN
CC(C)[C@H](c1ccccc1N)C(F)F	257992005	573279392	/nfs/dbraw/zinc/27/93/92/573279392.db2.gz	FLRISCFKNIEXFY-SNVBAGLBSA-N	0	0	199.244	3.274	10	0		AGAERN
CCC(=O)[C@@H](C)c1ccc(C)cc1	86161533	573279499	/nfs/dbraw/zinc/27/94/99/573279499.db2.gz	QJWCIWHOEWRMKZ-JTQLQIEISA-N	0	0	176.259	3.078	10	0		AGAERN
CCC(=O)[C@H](C)c1ccc(C)c(C)c1	86161658	573279512	/nfs/dbraw/zinc/27/95/12/573279512.db2.gz	KVZALOCKUMPMJV-LLVKDONJSA-N	0	0	190.286	3.386	10	0		AGAERN
CC(C)C(=O)[C@@H](C)C1CCCCC1	86167079	573280866	/nfs/dbraw/zinc/28/08/66/573280866.db2.gz	MSUCKLKTCBPAMN-JTQLQIEISA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)C(=O)C1[C@H](C)CCC[C@H]1C	86167283	573280884	/nfs/dbraw/zinc/28/08/84/573280884.db2.gz	YKNXIEAYSQKCNU-NXEZZACHSA-N	0	0	182.307	3.284	10	0		AGAERN
CC[C@@H]1CCC[C@@H]([C@H](O)CC)CC1	86166285	573280887	/nfs/dbraw/zinc/28/08/87/573280887.db2.gz	PVFJJOLXCUVANU-IJLUTSLNSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)C(=O)[C@@H]1CCC[C@H](C)[C@H]1C	86167123	573280908	/nfs/dbraw/zinc/28/09/08/573280908.db2.gz	PYYROBLWICTNJP-HBNTYKKESA-N	0	0	182.307	3.284	10	0		AGAERN
CC[C@H](O)[C@@H](C)c1ccc(C)c(C)c1	86166585	573280953	/nfs/dbraw/zinc/28/09/53/573280953.db2.gz	FHFGUXNIOQENNW-AAEUAGOBSA-N	0	0	192.302	3.178	10	0		AGAERN
CC[C@H](O)[C@H](C)c1ccc(C)c(C)c1	86166589	573280971	/nfs/dbraw/zinc/28/09/71/573280971.db2.gz	FHFGUXNIOQENNW-YPMHNXCESA-N	0	0	192.302	3.178	10	0		AGAERN
CC(C)C(=O)[C@@H]1C[C@H](C)CC[C@@H]1C	86167286	573280994	/nfs/dbraw/zinc/28/09/94/573280994.db2.gz	RNHQVOBVVYUQRC-OUAUKWLOSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)C(=O)[C@H](C)c1ccc(F)cc1	86167406	573281008	/nfs/dbraw/zinc/28/10/08/573281008.db2.gz	OOQHNCBFLYIZEJ-SECBINFHSA-N	0	0	194.249	3.154	10	0		AGAERN
Cc1ccc([C@H](C)C(=O)C(C)C)cc1	86166969	573281084	/nfs/dbraw/zinc/28/10/84/573281084.db2.gz	VKVMWRYCXACONH-NSHDSACASA-N	0	0	190.286	3.324	10	0		AGAERN
CC(C)C(=O)[C@@H]1CC[C@@H](C)C[C@H]1C	86167157	573281094	/nfs/dbraw/zinc/28/10/94/573281094.db2.gz	CZVCCEQFIVUNCG-GMTAPVOTSA-N	0	0	182.307	3.284	10	0		AGAERN
CC[C@H](O)[C@@H](C)c1cccc(Cl)c1	86166576	573281203	/nfs/dbraw/zinc/28/12/03/573281203.db2.gz	FPMGCOZXINHLHP-KWQFWETISA-N	0	0	198.693	3.214	10	0		AGAERN
CC(C)C(=O)[C@H]1CCC[C@H](C)CC1	86167307	573281220	/nfs/dbraw/zinc/28/12/20/573281220.db2.gz	HQUZAFYUYSCONZ-QWRGUYRKSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H](O)C1CCCCCCC1	86166770	573281231	/nfs/dbraw/zinc/28/12/31/573281231.db2.gz	YGGVSXBJDKOSHA-LLVKDONJSA-N	0	0	170.296	3.118	10	0		AGAERN
CC[C@@H](O)[C@H](C)c1cc(C)ccc1C	86166615	573281271	/nfs/dbraw/zinc/28/12/71/573281271.db2.gz	MYEPCFBAHUMWNU-DGCLKSJQSA-N	0	0	192.302	3.178	10	0		AGAERN
CC(C)C(=O)[C@@H](C)c1ccccc1F	86167227	573281284	/nfs/dbraw/zinc/28/12/84/573281284.db2.gz	ORRQEJVFCJGUNU-VIFPVBQESA-N	0	0	194.249	3.154	10	0		AGAERN
CC[C@@H](O)[C@@H](C)c1cccc(Cl)c1	86166578	573281567	/nfs/dbraw/zinc/28/15/67/573281567.db2.gz	FPMGCOZXINHLHP-GZMMTYOYSA-N	0	0	198.693	3.214	10	0		AGAERN
Cc1ccccc1[C@@H](C)C(=O)C(C)C	86167039	573281598	/nfs/dbraw/zinc/28/15/98/573281598.db2.gz	BMTBZMMEPVGSQB-LLVKDONJSA-N	0	0	190.286	3.324	10	0		AGAERN
Cc1ccc([C@H](C)C(=O)C(C)C)s1	86167224	573281634	/nfs/dbraw/zinc/28/16/34/573281634.db2.gz	SJJSLXDTPNMTJI-VIFPVBQESA-N	0	0	196.315	3.385	10	0		AGAERN
CC[C@H](O)[C@H]1CCCC(C)(C)CC1	86166381	573281762	/nfs/dbraw/zinc/28/17/62/573281762.db2.gz	CNIZSBKBLRPOAL-QWRGUYRKSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)C(=O)[C@@H](C)c1cccc(F)c1	86167361	573281805	/nfs/dbraw/zinc/28/18/05/573281805.db2.gz	DFZOEEMTKGACBI-VIFPVBQESA-N	0	0	194.249	3.154	10	0		AGAERN
CC[C@H](O)[C@H](C)c1ccc(Cl)cc1	86166672	573281861	/nfs/dbraw/zinc/28/18/61/573281861.db2.gz	YDKJDBCHUKHULN-KCJUWKMLSA-N	0	0	198.693	3.214	10	0		AGAERN
CC[C@@H](O)[C@H](C)c1cccc(Cl)c1	86166582	573281940	/nfs/dbraw/zinc/28/19/40/573281940.db2.gz	FPMGCOZXINHLHP-LDYMZIIASA-N	0	0	198.693	3.214	10	0		AGAERN
CC(C)C(=O)[C@H](C)C1CCCCC1	86167080	573281963	/nfs/dbraw/zinc/28/19/63/573281963.db2.gz	MSUCKLKTCBPAMN-SNVBAGLBSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(CC)C[C@@](C)(O)C1(C)CC1	129399813	573281996	/nfs/dbraw/zinc/28/19/96/573281996.db2.gz	AECHVXXQOSRSRR-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(CC)C[C@](C)(O)C1(C)CC1	129399613	573283598	/nfs/dbraw/zinc/28/35/98/573283598.db2.gz	AECHVXXQOSRSRR-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)C(=O)[C@H](C)C1CCCC1	86167367	573283616	/nfs/dbraw/zinc/28/36/16/573283616.db2.gz	XDIXUOBUUMOARC-SECBINFHSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@H](O)[C@H](C)c1cccc(Cl)c1	86166579	573283646	/nfs/dbraw/zinc/28/36/46/573283646.db2.gz	FPMGCOZXINHLHP-KCJUWKMLSA-N	0	0	198.693	3.214	10	0		AGAERN
CC[C@H](O)[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	86166802	573283653	/nfs/dbraw/zinc/28/36/53/573283653.db2.gz	CSRRXDKKGASNNS-LPWJVIDDSA-N	0	0	198.350	3.466	10	0		AGAERN
CC[C@@H](O)[C@H]1CCCC(C)(C)CC1	86166383	573283711	/nfs/dbraw/zinc/28/37/11/573283711.db2.gz	CNIZSBKBLRPOAL-WDEREUQCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)C(=O)[C@@H]1CCC[C@@H](C)CC1	86167310	573283724	/nfs/dbraw/zinc/28/37/24/573283724.db2.gz	HQUZAFYUYSCONZ-GHMZBOCLSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)C(=O)[C@@H]1CCC[C@H](C)CC1	86167312	573283739	/nfs/dbraw/zinc/28/37/39/573283739.db2.gz	HQUZAFYUYSCONZ-WDEREUQCSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H]1CCC[C@H]([C@H](O)CC)CC1	86166281	573284043	/nfs/dbraw/zinc/28/40/43/573284043.db2.gz	PVFJJOLXCUVANU-GRYCIOLGSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)C(=O)[C@@H]1C[C@H](C)CC[C@H]1C	86167289	573284368	/nfs/dbraw/zinc/28/43/68/573284368.db2.gz	RNHQVOBVVYUQRC-GMTAPVOTSA-N	0	0	182.307	3.284	10	0		AGAERN
CCc1oc(C=O)cc1CCC(C)C	74246255	573284440	/nfs/dbraw/zinc/28/44/40/573284440.db2.gz	VVCLFJJJUNNKIJ-UHFFFAOYSA-N	0	0	194.274	3.243	10	0		AGAERN
CC[C@@H](O)[C@H](C)c1ccc(C)c(C)c1	86166591	573284667	/nfs/dbraw/zinc/28/46/67/573284667.db2.gz	FHFGUXNIOQENNW-DGCLKSJQSA-N	0	0	192.302	3.178	10	0		AGAERN
CC(C)C(=O)[C@@H]1CCCC(C)(C)C1	86167087	573284758	/nfs/dbraw/zinc/28/47/58/573284758.db2.gz	RWCYDYUSNDFXPH-SNVBAGLBSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H](O)[C@H](C)c1ccc(C)cc1C	86166536	573284839	/nfs/dbraw/zinc/28/48/39/573284839.db2.gz	WZAVEYRIKXCYCJ-DGCLKSJQSA-N	0	0	192.302	3.178	10	0		AGAERN
CCCC/C=C/C(=O)/C=C\Cl	393581033	573285298	/nfs/dbraw/zinc/28/52/98/573285298.db2.gz	MPPQRAJWZOUUMT-MDAAKZFYSA-N	0	0	172.655	3.054	10	0		AGAERN
Cc1ccccc1[C@H](C)[C@H](O)C(C)C	86183664	573285363	/nfs/dbraw/zinc/28/53/63/573285363.db2.gz	RUGKKWCSGLJFMX-WCQYABFASA-N	0	0	192.302	3.115	10	0		AGAERN
Cc1ccc([C@H](C)[C@H](O)C(C)C)s1	86182913	573285452	/nfs/dbraw/zinc/28/54/52/573285452.db2.gz	FLHBNALRZGYXBI-GXSJLCMTSA-N	0	0	198.331	3.177	10	0		AGAERN
Cc1ccccc1[C@@H](C)[C@H](O)C(C)C	86183661	573286571	/nfs/dbraw/zinc/28/65/71/573286571.db2.gz	RUGKKWCSGLJFMX-DGCLKSJQSA-N	0	0	192.302	3.115	10	0		AGAERN
Cc1ccc([C@H](C)[C@H](O)C(C)C)cc1	86183282	573286085	/nfs/dbraw/zinc/28/60/85/573286085.db2.gz	SQDCHGSRYKDMHE-WCQYABFASA-N	0	0	192.302	3.115	10	0		AGAERN
CNc1ccc(N=O)c2ccccc12	238334969	573286128	/nfs/dbraw/zinc/28/61/28/573286128.db2.gz	GSIJNNUWHRSSFG-UHFFFAOYSA-N	0	0	186.214	3.279	10	0		AGAERN
Cc1ccc([C@H](C)[C@@H](O)C(C)C)cc1	86183291	573286143	/nfs/dbraw/zinc/28/61/43/573286143.db2.gz	SQDCHGSRYKDMHE-AAEUAGOBSA-N	0	0	192.302	3.115	10	0		AGAERN
CC(C)[C@H](O)[C@@H](C)C1CCCCC1	86182795	573286182	/nfs/dbraw/zinc/28/61/82/573286182.db2.gz	LYNLJGCMDVTUNW-JQWIXIFHSA-N	0	0	184.323	3.220	10	0		AGAERN
c1ccc2cc(C3CC3)ncc2c1	116461974	573286190	/nfs/dbraw/zinc/28/61/90/573286190.db2.gz	LRMKANMRXYMSRT-UHFFFAOYSA-N	0	0	169.227	3.112	10	0		AGAERN
CCCC/C=C\C(=O)/C=C/Cl	393581030	573286287	/nfs/dbraw/zinc/28/62/87/573286287.db2.gz	MPPQRAJWZOUUMT-IGTJQSIKSA-N	0	0	172.655	3.054	10	0		AGAERN
CCc1cc(O)c(C(C)C)cc1OC	238334833	573286295	/nfs/dbraw/zinc/28/62/95/573286295.db2.gz	ZINHWGCMKGYTHC-UHFFFAOYSA-N	0	0	194.274	3.087	10	0		AGAERN
Cc1ccc([C@@H](C)[C@@H](O)C(C)C)cc1	86183287	573286470	/nfs/dbraw/zinc/28/64/70/573286470.db2.gz	SQDCHGSRYKDMHE-YPMHNXCESA-N	0	0	192.302	3.115	10	0		AGAERN
Cc1ccc([C@@H](C)[C@@H](O)C(C)C)s1	86182916	573286521	/nfs/dbraw/zinc/28/65/21/573286521.db2.gz	FLHBNALRZGYXBI-KOLCDFICSA-N	0	0	198.331	3.177	10	0		AGAERN
CC(C)[C@@H](O)[C@@H]1C[C@@H](C)CC(C)(C)C1	86183643	573288023	/nfs/dbraw/zinc/28/80/23/573288023.db2.gz	UDJINLCOCOTEIG-IJLUTSLNSA-N	0	0	198.350	3.466	10	0		AGAERN
Cc1ccccc1[C@H](C)[C@@H](O)C(C)C	86183669	573288234	/nfs/dbraw/zinc/28/82/34/573288234.db2.gz	RUGKKWCSGLJFMX-AAEUAGOBSA-N	0	0	192.302	3.115	10	0		AGAERN
O=Cc1ccccc1C1CC(F)(F)C1	257993934	573288489	/nfs/dbraw/zinc/28/84/89/573288489.db2.gz	FSHGLFDDRWOXAM-UHFFFAOYSA-N	0	0	196.196	3.012	10	0		AGAERN
CCC(CC)CCc1c[nH]cc1C=O	74247740	573290736	/nfs/dbraw/zinc/29/07/36/573290736.db2.gz	QNGSTMGSTLSAFJ-UHFFFAOYSA-N	0	0	193.290	3.196	10	0		AGAERN
CCC[C@H](C)[C@H](O)C(C)(C)CC	233352061	573290880	/nfs/dbraw/zinc/29/08/80/573290880.db2.gz	GCQXHMMUQXCBFN-UWVGGRQHSA-N	0	0	172.312	3.220	10	0		AGAERN
C[C@H]1CCCc2ccc([C@@H](C)O)cc21	257996605	573293994	/nfs/dbraw/zinc/29/39/94/573293994.db2.gz	FZMMATPNAFXJNI-VHSXEESVSA-N	0	0	190.286	3.180	10	0		AGAERN
C[C@H](O)c1ccc2c(c1)[C@@H](C)CCC2	257996602	573296715	/nfs/dbraw/zinc/29/67/15/573296715.db2.gz	FZMMATPNAFXJNI-UWVGGRQHSA-N	0	0	190.286	3.180	10	0		AGAERN
Cc1[nH]c(=S)n([C@H](C)C(C)C)c1C	716697983	573297850	/nfs/dbraw/zinc/29/78/50/573297850.db2.gz	NETOCWKZBIDQLS-MRVPVSSYSA-N	0	0	198.335	3.006	10	0		AGAERN
CSC[C@H]1Cc2ccccc2S1	86195599	573298037	/nfs/dbraw/zinc/29/80/37/573298037.db2.gz	BUJQEMNFSBQPLR-SECBINFHSA-N	0	0	196.340	3.066	10	0		AGAERN
C=Cc1cccc([C@H](C)CC)n1	209768889	573306129	/nfs/dbraw/zinc/30/61/29/573306129.db2.gz	YIYXZTVGDYDDSW-SECBINFHSA-N	0	0	161.248	3.238	10	0		AGAERN
CCCC[C@H](C)n1cccc1C=O	50890615	573306298	/nfs/dbraw/zinc/30/62/98/573306298.db2.gz	DEPVCCZHMMRHRK-JTQLQIEISA-N	0	0	179.263	3.052	10	0		AGAERN
CCCC[C@H](C)Nc1cccc(F)n1	50890637	573308186	/nfs/dbraw/zinc/30/81/86/573308186.db2.gz	ACHZJTBNOSSOMO-VIFPVBQESA-N	0	0	196.269	3.211	10	0		AGAERN
Cc1cc(Cl)cc([C@@H](C)CO)c1C	258254954	573308271	/nfs/dbraw/zinc/30/82/71/573308271.db2.gz	XXJAWIDWUXHKCU-QMMMGPOBSA-N	0	0	198.693	3.053	10	0		AGAERN
C[C@@H]1CCC[C@H](C[C@@H](O)CC2CC2)C1	308544276	573308405	/nfs/dbraw/zinc/30/84/05/573308405.db2.gz	VEACVSACSVXEAY-WXHSDQCUSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1cc([C@H](C)CO)cc(Cl)c1C	258255270	573308508	/nfs/dbraw/zinc/30/85/08/573308508.db2.gz	YBXKNWITGRGRNH-MRVPVSSYSA-N	0	0	198.693	3.053	10	0		AGAERN
CC(=O)C[C@@H](C)c1ccc(C)c(F)c1	223982212	573309863	/nfs/dbraw/zinc/30/98/63/573309863.db2.gz	GJWUOUTYFYABAR-SECBINFHSA-N	0	0	194.249	3.217	10	0		AGAERN
Cc1ccc([C@H](C)C[C@H](C)O)cc1F	223996842	573309916	/nfs/dbraw/zinc/30/99/16/573309916.db2.gz	JZQPEIJZXVZBCI-ZJUUUORDSA-N	0	0	196.265	3.009	10	0		AGAERN
CC[C@H]1C[C@@]1(O)CC1CCCCC1	86200831	573309949	/nfs/dbraw/zinc/30/99/49/573309949.db2.gz	IXBMOLOOOLVOSZ-RYUDHWBXSA-N	0	0	182.307	3.118	10	0		AGAERN
CCC(F)(F)c1cccc(OC)c1	259080042	573309973	/nfs/dbraw/zinc/30/99/73/573309973.db2.gz	ZLPZWBZUFOCMDI-UHFFFAOYSA-N	0	0	186.201	3.197	10	0		AGAERN
Cc1ccc([C@H](C)C[C@@H](C)O)cc1F	223996738	573309995	/nfs/dbraw/zinc/30/99/95/573309995.db2.gz	JZQPEIJZXVZBCI-NXEZZACHSA-N	0	0	196.265	3.009	10	0		AGAERN
CCC[C@H]1C[C@]1(O)c1ccccc1C	86202839	573314104	/nfs/dbraw/zinc/31/41/04/573314104.db2.gz	JJHPBIIBZDIZRB-WCQYABFASA-N	0	0	190.286	3.003	10	0		AGAERN
CCC[C@@H]1C[C@@]1(O)c1ccc(C)s1	86203476	573314129	/nfs/dbraw/zinc/31/41/29/573314129.db2.gz	AWRIBIRCOURNPJ-KOLCDFICSA-N	0	0	196.315	3.064	10	0		AGAERN
CC1CCC(/C=C(/CO)C(C)C)CC1	86209587	573314146	/nfs/dbraw/zinc/31/41/46/573314146.db2.gz	GXOXTFVZOIMVTC-JYRVWZFOSA-N	0	0	196.334	3.387	10	0		AGAERN
CCC[C@H]1C[C@]1(O)c1cccc(C)c1	86203562	573314270	/nfs/dbraw/zinc/31/42/70/573314270.db2.gz	IMNAXEPBBORQLM-STQMWFEESA-N	0	0	190.286	3.003	10	0		AGAERN
CC/C(=C\C1CCCCCC1)CO	86209063	573314346	/nfs/dbraw/zinc/31/43/46/573314346.db2.gz	WDHROWIRXPSREZ-PKNBQFBNSA-N	0	0	182.307	3.286	10	0		AGAERN
CCC[C@H]1C[C@@]1(O)c1ccccc1C	86202843	573314422	/nfs/dbraw/zinc/31/44/22/573314422.db2.gz	JJHPBIIBZDIZRB-AAEUAGOBSA-N	0	0	190.286	3.003	10	0		AGAERN
Fc1cccc2c1NC[C@@H]2C1CCC1	236153050	573314423	/nfs/dbraw/zinc/31/44/23/573314423.db2.gz	NKOVXTCMEKKDIB-SNVBAGLBSA-N	0	0	191.249	3.135	10	0		AGAERN
CCC[C@@H]1C[C@]1(O)C1C(C)(C)C1(C)C	86204051	573314484	/nfs/dbraw/zinc/31/44/84/573314484.db2.gz	AZCYHXDPBKGUJU-NOZJJQNGSA-N	0	0	196.334	3.220	10	0		AGAERN
CCOC(=O)/C(C)=C/[C@@H](C)C(C)(C)C	308553634	573323743	/nfs/dbraw/zinc/32/37/43/573323743.db2.gz	RDVJMYJCONBZNW-AAXQSMANSA-N	0	0	198.306	3.178	10	0		AGAERN
CNc1sc(C2CCCC2)nc1C	259417208	573324126	/nfs/dbraw/zinc/32/41/26/573324126.db2.gz	UVYKKYDLJFNJJT-UHFFFAOYSA-N	0	0	196.319	3.151	10	0		AGAERN
CC1(C)C(n2cc[nH]c2=S)C1(C)C	86240540	573327982	/nfs/dbraw/zinc/32/79/82/573327982.db2.gz	RVLFMUZMNGCXPD-UHFFFAOYSA-N	0	0	196.319	3.153	10	0		AGAERN
CN1CCCCc2cc(Cl)ccc21	238343525	573328152	/nfs/dbraw/zinc/32/81/52/573328152.db2.gz	WIVMPXBQESFQKO-UHFFFAOYSA-N	0	0	195.693	3.113	10	0		AGAERN
CC(C)C[C@H]1C[C@H]1c1ccccc1N	117147568	573328296	/nfs/dbraw/zinc/32/82/96/573328296.db2.gz	RBGSAOZZFRDGSY-CMPLNLGQSA-N	0	0	189.302	3.418	10	0		AGAERN
CCCC1([C@@H](O)c2cc(C)co2)CC1	715773104	573328483	/nfs/dbraw/zinc/32/84/83/573328483.db2.gz	KOTJMMZGGVQJQQ-NSHDSACASA-N	0	0	194.274	3.202	10	0		AGAERN
CCCCCc1nc(NC)sc1C	258630724	573331027	/nfs/dbraw/zinc/33/10/27/573331027.db2.gz	CEYHWDPCXNIQBR-UHFFFAOYSA-N	0	0	198.335	3.226	10	0		AGAERN
C=Cc1ccc(CC)c2[nH]ccc12	238358218	573331144	/nfs/dbraw/zinc/33/11/44/573331144.db2.gz	WTXSDXJMMKLVMF-UHFFFAOYSA-N	0	0	171.243	3.373	10	0		AGAERN
CC(C)(C)[C@](C)(F)c1cccc(N)c1	258006893	573337511	/nfs/dbraw/zinc/33/75/11/573337511.db2.gz	GXBGJGQRFRCDRJ-GFCCVEGCSA-N	0	0	195.281	3.500	10	0		AGAERN
Cc1cccc(N)c1C1CCCC1	259423376	573337636	/nfs/dbraw/zinc/33/76/36/573337636.db2.gz	JWAQYMPXGZVXMP-UHFFFAOYSA-N	0	0	175.275	3.235	10	0		AGAERN
CCc1ccc(C)c2c1CCCC2=O	238355728	573338738	/nfs/dbraw/zinc/33/87/38/573338738.db2.gz	MYWSXESKFJBMDO-UHFFFAOYSA-N	0	0	188.270	3.076	10	0		AGAERN
CCc1ccc(-c2cc(C)no2)cc1	259091266	573338812	/nfs/dbraw/zinc/33/88/12/573338812.db2.gz	DWBGAWWDPUJILF-UHFFFAOYSA-N	0	0	187.242	3.212	10	0		AGAERN
CCCOC(=O)[C@@H](C)CC(C)(C)C	231513612	573339214	/nfs/dbraw/zinc/33/92/14/573339214.db2.gz	JIICXMFZRPDXNT-VIFPVBQESA-N	0	0	186.295	3.012	10	0		AGAERN
CCCCCC[C@H](C)F	117459801	573341543	/nfs/dbraw/zinc/34/15/43/573341543.db2.gz	TVJHFQWCMCKELZ-QMMMGPOBSA-N	0	0	132.222	3.315	10	0		AGAERN
CCC1([C@H](O)c2cc(C)co2)CCC1	715776283	573341627	/nfs/dbraw/zinc/34/16/27/573341627.db2.gz	VWFITPAVHWLOBO-LLVKDONJSA-N	0	0	194.274	3.202	10	0		AGAERN
CCc1sc(N)c2c1CCCCC2	107081634	573341766	/nfs/dbraw/zinc/34/17/66/573341766.db2.gz	HIDCEYCAXDKFHB-UHFFFAOYSA-N	0	0	195.331	3.162	10	0		AGAERN
C=C/C=C/CCc1ccccc1C=O	308353149	573341869	/nfs/dbraw/zinc/34/18/69/573341869.db2.gz	NRLQJAQFIADZCX-ONEGZZNKSA-N	0	0	186.254	3.174	10	0		AGAERN
CCCCCCOC1CCC(=O)CC1	129579835	573341889	/nfs/dbraw/zinc/34/18/89/573341889.db2.gz	UJBBMEYGSSKXRG-UHFFFAOYSA-N	0	0	198.306	3.095	10	0		AGAERN
CCC[C@@H](CC)Nc1cccnc1	132823948	573342024	/nfs/dbraw/zinc/34/20/24/573342024.db2.gz	WKPDVHIYJWCRIJ-SNVBAGLBSA-N	0	0	178.279	3.072	10	0		AGAERN
CCC1([C@@H](O)c2cc(C)co2)CCC1	715776285	573343510	/nfs/dbraw/zinc/34/35/10/573343510.db2.gz	VWFITPAVHWLOBO-NSHDSACASA-N	0	0	194.274	3.202	10	0		AGAERN
CSCCCCC(=O)C(C)(C)C	129586184	573343638	/nfs/dbraw/zinc/34/36/38/573343638.db2.gz	GQQDMPBRNWPWHC-UHFFFAOYSA-N	0	0	188.336	3.135	10	0		AGAERN
Cc1ccsc1-c1c[nH]c(Cl)n1	259089631	573344707	/nfs/dbraw/zinc/34/47/07/573344707.db2.gz	MQTZVQZNJWXYGS-UHFFFAOYSA-N	0	0	198.678	3.100	10	0		AGAERN
CC[C@H](C)CC(=O)c1ccncc1C	132799562	573344727	/nfs/dbraw/zinc/34/47/27/573344727.db2.gz	JCOCJHUBZVRELH-VIFPVBQESA-N	0	0	191.274	3.009	10	0		AGAERN
CNc1nc(C2CCCCC2)c(C)o1	258634033	573344853	/nfs/dbraw/zinc/34/48/53/573344853.db2.gz	RIUFQBOYYYWOGL-UHFFFAOYSA-N	0	0	194.278	3.072	10	0		AGAERN
CCc1ccc(C)c2sncc12	238356425	573344869	/nfs/dbraw/zinc/34/48/69/573344869.db2.gz	QJPCOTGUUZIRMF-UHFFFAOYSA-N	0	0	177.272	3.167	10	0		AGAERN
Cc1cc(N)sc1CC(C)(C)C	107093514	573346355	/nfs/dbraw/zinc/34/63/55/573346355.db2.gz	ODHYERVANYWEDQ-UHFFFAOYSA-N	0	0	183.320	3.227	10	0		AGAERN
Cc1cccc(Oc2cnsc2)c1	258308776	573347004	/nfs/dbraw/zinc/34/70/04/573347004.db2.gz	CTLYPQQHIZUFNF-UHFFFAOYSA-N	0	0	191.255	3.244	10	0		AGAERN
CC(C)(O)CCCCc1ccccc1	78036701	573347085	/nfs/dbraw/zinc/34/70/85/573347085.db2.gz	DYMYIGYGEIXHDY-UHFFFAOYSA-N	0	0	192.302	3.170	10	0		AGAERN
Cc1cccc(Nc2cccnc2)c1	117563871	573350526	/nfs/dbraw/zinc/35/05/26/573350526.db2.gz	DWKOFATVGCHPSG-UHFFFAOYSA-N	0	0	184.242	3.134	10	0		AGAERN
COc1ccc(C)c2c(Cl)c[nH]c12	238365359	573350569	/nfs/dbraw/zinc/35/05/69/573350569.db2.gz	OTWBWSHEHAMBNT-UHFFFAOYSA-N	0	0	195.649	3.138	10	0		AGAERN
CSCc1cc2c(F)cccc2[nH]1	258009361	573350641	/nfs/dbraw/zinc/35/06/41/573350641.db2.gz	LPOFPBCOASYMMI-UHFFFAOYSA-N	0	0	195.262	3.170	10	0		AGAERN
CCC[C@H](F)C(=O)C1CCCCC1	39055059	573350732	/nfs/dbraw/zinc/35/07/32/573350732.db2.gz	XEYJKUKBVNRCKX-JTQLQIEISA-N	0	0	186.270	3.274	10	0		AGAERN
COc1c(C)ccc2sccc12	238365093	573350782	/nfs/dbraw/zinc/35/07/82/573350782.db2.gz	VKWSAVBLFQNVME-UHFFFAOYSA-N	0	0	178.256	3.218	10	0		AGAERN
CC[C@@H](SC)c1cccc(N)c1	117577503	573351806	/nfs/dbraw/zinc/35/18/06/573351806.db2.gz	OYEOOEGYRIPMAH-SNVBAGLBSA-N	0	0	181.304	3.083	10	0		AGAERN
CCCC(CCC)C(=O)c1ccc[nH]1	132905227	573351945	/nfs/dbraw/zinc/35/19/45/573351945.db2.gz	IAEWSCFUNGLQPH-UHFFFAOYSA-N	0	0	193.290	3.414	10	0		AGAERN
Cc1coc([C@H](O)[C@@H]2CCC[C@H]2C)c1	715781351	573353333	/nfs/dbraw/zinc/35/33/33/573353333.db2.gz	SDLXBRVCTJGGHH-CKYFFXLPSA-N	0	0	194.274	3.058	10	0		AGAERN
Cc1cc(Cl)c(C)c([C@H](C)CO)c1	258005904	573353407	/nfs/dbraw/zinc/35/34/07/573353407.db2.gz	CILGBPFVERZPSH-MRVPVSSYSA-N	0	0	198.693	3.053	10	0		AGAERN
Cc1ccccc1[C@@H]1CCC(=O)[C@@H]1C	83001899	573353492	/nfs/dbraw/zinc/35/34/92/573353492.db2.gz	JFRURHHTKVHMBJ-ZYHUDNBSSA-N	0	0	188.270	3.078	10	0		AGAERN
Cc1ccc(F)cc1C(=O)CC1CC1	82999704	573353551	/nfs/dbraw/zinc/35/35/51/573353551.db2.gz	PZFIRTDTPLEDTE-UHFFFAOYSA-N	0	0	192.233	3.117	10	0		AGAERN
C[C@H]1C(=O)CC[C@@H]1CC1CCCC1	83001967	573353566	/nfs/dbraw/zinc/35/35/66/573353566.db2.gz	GFERDMIAFZTPGN-MWLCHTKSSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1cccc([C@@H]2CCC(=O)[C@H]2C)c1	83002293	573353575	/nfs/dbraw/zinc/35/35/75/573353575.db2.gz	VBWWFFFAKLTNGF-CMPLNLGQSA-N	0	0	188.270	3.078	10	0		AGAERN
Cc1ccc([C@H]2CCC(=O)[C@@H]2C)cc1	83002314	573353707	/nfs/dbraw/zinc/35/37/07/573353707.db2.gz	AVGYZMXDPQJTCJ-PWSUYJOCSA-N	0	0	188.270	3.078	10	0		AGAERN
O[C@@H](CC1CC1)c1cccc(Cl)c1	82999773	573353808	/nfs/dbraw/zinc/35/38/08/573353808.db2.gz	OHHPOTIKGCATMK-NSHDSACASA-N	0	0	196.677	3.174	10	0		AGAERN
O[C@H](CC1CC1)c1cccc(Cl)c1	82999772	573353851	/nfs/dbraw/zinc/35/38/51/573353851.db2.gz	OHHPOTIKGCATMK-LLVKDONJSA-N	0	0	196.677	3.174	10	0		AGAERN
O[C@H](CC1CC1)c1ccccc1Cl	82999849	573353879	/nfs/dbraw/zinc/35/38/79/573353879.db2.gz	CBWJOZQSRQSJEF-LLVKDONJSA-N	0	0	196.677	3.174	10	0		AGAERN
C[C@@H]1C(=O)CC[C@@H]1CC1CCCC1	83001969	573353898	/nfs/dbraw/zinc/35/38/98/573353898.db2.gz	GFERDMIAFZTPGN-GXSJLCMTSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@H](C)C[C@@H]1CCC(=O)[C@@H]1C	83001954	573354016	/nfs/dbraw/zinc/35/40/16/573354016.db2.gz	YHNUZCRCTODLAE-AEJSXWLSSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)=C[C@H](C)[C@H](O)c1ccccc1	238368072	573354062	/nfs/dbraw/zinc/35/40/62/573354062.db2.gz	GUAPZHHFNBWAJR-AAEUAGOBSA-N	0	0	190.286	3.322	10	0		AGAERN
CC(C)CC[C@H]1CCC(=O)[C@@H]1C	83001637	573354118	/nfs/dbraw/zinc/35/41/18/573354118.db2.gz	QRIMWXFHSMYNKX-ZJUUUORDSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@H]1CCC[C@H](C(=O)CC2CC2)C1	82999695	573356936	/nfs/dbraw/zinc/35/69/36/573356936.db2.gz	PHZVSQOAWKFXGX-ONGXEEELSA-N	0	0	180.291	3.182	10	0		AGAERN
CC1CCC([C@H]2CCC(=O)[C@@H]2C)CC1	83002478	573357033	/nfs/dbraw/zinc/35/70/33/573357033.db2.gz	KGGRVMYNLVQREK-RSJDFQLWSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)(C)c1ccc(Cl)cc1C=O	214862303	573357190	/nfs/dbraw/zinc/35/71/90/573357190.db2.gz	BNIPHDVPYNDBOF-UHFFFAOYSA-N	0	0	196.677	3.450	10	0		AGAERN
CCCC(CCC)[C@]1(O)C[C@@H]1CC	133013272	573359620	/nfs/dbraw/zinc/35/96/20/573359620.db2.gz	VLFSHIJVNGIYTJ-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(CC)c1nccs1	117682670	573363977	/nfs/dbraw/zinc/36/39/77/573363977.db2.gz	QBXLWWCQEYJVGN-UHFFFAOYSA-N	0	0	155.266	3.047	10	0		AGAERN
CC1CCC([C@@H]2CC[C@H](O)[C@@H]2C)CC1	83035901	573364329	/nfs/dbraw/zinc/36/43/29/573364329.db2.gz	PYTQIVZRFWGDSG-AQUBRYCOSA-N	0	0	196.334	3.220	10	0		AGAERN
CCC[C@](C)(O)C1=CCCCC1	117712240	573365544	/nfs/dbraw/zinc/36/55/44/573365544.db2.gz	JAAKVCXEZBZXTL-NSHDSACASA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1cc(F)c(C(C)C)cc1[C@@H](C)O	258008477	573365593	/nfs/dbraw/zinc/36/55/93/573365593.db2.gz	HCKPZKVYOBIYKH-SECBINFHSA-N	0	0	196.265	3.311	10	0		AGAERN
CC(C)[C@@H](CF)Nc1ccccc1	107128444	573365872	/nfs/dbraw/zinc/36/58/72/573365872.db2.gz	SSLCIULSJPCLJL-LLVKDONJSA-N	0	0	181.254	3.093	10	0		AGAERN
C=CCC/C=C/c1ccc(C=O)cc1	308369085	573365890	/nfs/dbraw/zinc/36/58/90/573365890.db2.gz	OILLIPLBSOWGIG-AATRIKPKSA-N	0	0	186.254	3.479	10	0		AGAERN
C[C@@H]1CCC[C@H]([C@@H]2CC[C@H](O)[C@@H]2C)C1	83036430	573365926	/nfs/dbraw/zinc/36/59/26/573365926.db2.gz	ZMIZRVCDKRFJCO-LBELIVKGSA-N	0	0	196.334	3.220	10	0		AGAERN
CCSCCCC(=O)CC(C)C	129619861	573373203	/nfs/dbraw/zinc/37/32/03/573373203.db2.gz	JLSAIWBGMFNXBB-UHFFFAOYSA-N	0	0	188.336	3.135	10	0		AGAERN
CCCCN(CC(F)F)[C@@H](C)CC	308375855	573373481	/nfs/dbraw/zinc/37/34/81/573373481.db2.gz	SDFAGGNVGRGJEW-VIFPVBQESA-N	0	0	193.281	3.152	10	0		AGAERN
CC(C)(C)[C@@H](CF)c1cccc(O)c1	258014808	573374087	/nfs/dbraw/zinc/37/40/87/573374087.db2.gz	HKWPOJXGMNLWPF-NSHDSACASA-N	0	0	196.265	3.491	10	0		AGAERN
CC(=O)N/C=C\[C@H](C)CCC=C(C)C	308375957	573374279	/nfs/dbraw/zinc/37/42/79/573374279.db2.gz	ZCIFVBKUFKJNPH-TYBABMIJSA-N	0	0	195.306	3.019	10	0		AGAERN
CC[C@H]1CCC[C@@H](CC(C)=O)C1	86352542	573374464	/nfs/dbraw/zinc/37/44/64/573374464.db2.gz	ISYNEJMCLNKTKH-QWRGUYRKSA-N	0	0	168.280	3.182	10	0		AGAERN
C[C@@H]1CC[C@@H](n2cc[nH]c2=S)[C@@H]1C	83045655	573374886	/nfs/dbraw/zinc/37/48/86/573374886.db2.gz	XLVSVGGDTGFXKS-IWSPIJDZSA-N	0	0	196.319	3.153	10	0		AGAERN
CC[C@H]1CCCC[C@H]1CC(C)=O	86352494	573374958	/nfs/dbraw/zinc/37/49/58/573374958.db2.gz	UCRYVPMIVMJLCP-QWRGUYRKSA-N	0	0	168.280	3.182	10	0		AGAERN
O=C1CCCC[C@H]1CCC(F)(F)F	86354219	573382843	/nfs/dbraw/zinc/38/28/43/573382843.db2.gz	BTKFWCBGFNAZAD-ZETCQYMHSA-N	0	0	194.196	3.088	10	0		AGAERN
CCC1CCC([C@@H](C)C(C)=O)CC1	86353357	573382895	/nfs/dbraw/zinc/38/28/95/573382895.db2.gz	HXIXOTPARUZAJX-GCVQQVDUSA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@H]1CCC(=O)[C@@H](CC2CCC2)C1	86354814	573382910	/nfs/dbraw/zinc/38/29/10/573382910.db2.gz	FDOUPXJNUNGQRU-GXSJLCMTSA-N	0	0	180.291	3.182	10	0		AGAERN
CCC(=O)C[C@H]1CCC[C@H](C)C1	86353025	573382921	/nfs/dbraw/zinc/38/29/21/573382921.db2.gz	GPSHNUPMKOLHLT-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
CSCc1c(C)[nH]c2ccccc12	238376044	573382925	/nfs/dbraw/zinc/38/29/25/573382925.db2.gz	DBYGKZKLRYVLRT-UHFFFAOYSA-N	0	0	191.299	3.339	10	0		AGAERN
C/C=C/C[C@H](O)c1ccc(Cl)cc1	118015893	573385359	/nfs/dbraw/zinc/38/53/59/573385359.db2.gz	BGXQLIRULLBJQK-VUDBWIFFSA-N	0	0	196.677	3.340	10	0		AGAERN
CC1CCC(C[C@H](O)C(C)C)CC1	86359499	573385378	/nfs/dbraw/zinc/38/53/78/573385378.db2.gz	FJAZVJQLILAXTR-MCIGGMRASA-N	0	0	184.323	3.220	10	0		AGAERN
CC(=O)[C@H](C(C)C)C1CCCCC1	86356297	573385440	/nfs/dbraw/zinc/38/54/40/573385440.db2.gz	VQOVBNGEOOIGDT-LBPRGKRZSA-N	0	0	182.307	3.428	10	0		AGAERN
CSCc1c(C)cc(C)c(O)c1C	238376130	573385626	/nfs/dbraw/zinc/38/56/26/573385626.db2.gz	WZIACRRFECFVAR-UHFFFAOYSA-N	0	0	196.315	3.180	10	0		AGAERN
C[C@H]1c2ccc(F)cc2NC1(C)C	258310270	573385654	/nfs/dbraw/zinc/38/56/54/573385654.db2.gz	VTJBTRVHCOJHCW-ZETCQYMHSA-N	0	0	179.238	3.133	10	0		AGAERN
CCC(=O)[C@H](C)[C@H]1CCC[C@H](C)C1	86357022	573385684	/nfs/dbraw/zinc/38/56/84/573385684.db2.gz	YSPBUHBRLRHQPM-AXFHLTTASA-N	0	0	182.307	3.428	10	0		AGAERN
O[C@H]1CCCCC[C@H]1CCC1CC1	86360480	573389295	/nfs/dbraw/zinc/38/92/95/573389295.db2.gz	XMXNQYQSXYVQGE-RYUDHWBXSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@@H]1CC[C@H](O)[C@H](C2CCCCC2)C1	86361202	573389357	/nfs/dbraw/zinc/38/93/57/573389357.db2.gz	RWZFZCGEBJOKTQ-WXHSDQCUSA-N	0	0	196.334	3.364	10	0		AGAERN
CSCc1cc2ccccc2n1C	238379511	573393632	/nfs/dbraw/zinc/39/36/32/573393632.db2.gz	AOWUTCKMZHEBJT-UHFFFAOYSA-N	0	0	191.299	3.041	10	0		AGAERN
CSc1ccc2c(c1)N[C@H](C)CC2	238378518	573393638	/nfs/dbraw/zinc/39/36/38/573393638.db2.gz	NVSNYGJSHUZWQB-MRVPVSSYSA-N	0	0	193.315	3.155	10	0		AGAERN
CC[C@H](C)[C@]1(O)CC[C@H](C)C[C@@H]1C	86388287	573393750	/nfs/dbraw/zinc/39/37/50/573393750.db2.gz	PHDXNZWZWVLILD-FIQHERPVSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H](C)[C@H](O)C1CCCCCC1	86388443	573394169	/nfs/dbraw/zinc/39/41/69/573394169.db2.gz	WBICBFVNCREHNC-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@](O)(c1ccoc1)C1CCCCC1	124264010	573395148	/nfs/dbraw/zinc/39/51/48/573395148.db2.gz	BLFMEJJYHGPHIN-LBPRGKRZSA-N	0	0	194.274	3.067	10	0		AGAERN
Clc1ccnc2cc(C3CC3)oc12	118301727	573395239	/nfs/dbraw/zinc/39/52/39/573395239.db2.gz	GRBXVYXIEATTNP-UHFFFAOYSA-N	0	0	193.633	3.359	10	0		AGAERN
CC[C@H](C)[C@]1(O)CCC[C@H](C)[C@@H]1C	86388279	573395315	/nfs/dbraw/zinc/39/53/15/573395315.db2.gz	MDTLWMJRNBSGKT-FIQHERPVSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H](c1ccccc1)[C@@H](CC)CO	308570696	573395383	/nfs/dbraw/zinc/39/53/83/573395383.db2.gz	DUDJUUWXZXHGPM-AAEUAGOBSA-N	0	0	192.302	3.199	10	0		AGAERN
CC[C@H](C)[C@@]1(O)CCC[C@H](C)CC1	86388370	573395436	/nfs/dbraw/zinc/39/54/36/573395436.db2.gz	SBYCZVHFFLWJJR-SDDRHHMPSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)[C@@]1(O)CCC[C@H](C2CC2)C1	86388262	573395445	/nfs/dbraw/zinc/39/54/45/573395445.db2.gz	RBBRFRLBWUXOPN-WCFLWFBJSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@](O)(c1ccoc1)C1CCCCC1	124264238	573395499	/nfs/dbraw/zinc/39/54/99/573395499.db2.gz	BLFMEJJYHGPHIN-GFCCVEGCSA-N	0	0	194.274	3.067	10	0		AGAERN
CC[C@H](C)[C@]1(O)CCCC(C)(C)C1	86388242	573395539	/nfs/dbraw/zinc/39/55/39/573395539.db2.gz	XQZQHXBLKNIXAK-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H](C)[C@](C)(O)c1sccc1C	86388164	573395547	/nfs/dbraw/zinc/39/55/47/573395547.db2.gz	BPJKGAUZPUJQGQ-KOLCDFICSA-N	0	0	198.331	3.310	10	0		AGAERN
CC[C@H](C)[C@]1(O)CCC[C@H](C2CC2)C1	86388258	573395554	/nfs/dbraw/zinc/39/55/54/573395554.db2.gz	RBBRFRLBWUXOPN-DRZSPHRISA-N	0	0	196.334	3.364	10	0		AGAERN
CC1([C@@](C)(O)C2CC3(CCC3)C2)CC1	717628440	573395708	/nfs/dbraw/zinc/39/57/08/573395708.db2.gz	XMHNOTDDBLBICM-LBPRGKRZSA-N	0	0	194.318	3.118	10	0		AGAERN
CC1(C)C[C@@H]2C=CCC[C@@H](O)C[C@H]2C1	308569827	573395874	/nfs/dbraw/zinc/39/58/74/573395874.db2.gz	DDVIYHMHZXIGRV-SDDRHHMPSA-N	0	0	194.318	3.140	10	0		AGAERN
Cc1ccc([C@@H](C)[C@@H](C)CO)c(C)c1	238379911	573395913	/nfs/dbraw/zinc/39/59/13/573395913.db2.gz	CJVNOJWFQFUOSN-RYUDHWBXSA-N	0	0	192.302	3.035	10	0		AGAERN
COc1cccc(SC)c1Cl	238386563	573396026	/nfs/dbraw/zinc/39/60/26/573396026.db2.gz	OANLMRGDCRVGFI-UHFFFAOYSA-N	0	0	188.679	3.071	10	0		AGAERN
CSc1ccc2c(c1)CC[C@@H](C)N2	238379787	573396049	/nfs/dbraw/zinc/39/60/49/573396049.db2.gz	OSOVCODOFDFPJC-MRVPVSSYSA-N	0	0	193.315	3.155	10	0		AGAERN
CC[C@H](C)[C@]1(O)CCC[C@@H](CC)C1	86388222	573396227	/nfs/dbraw/zinc/39/62/27/573396227.db2.gz	WOBGRLIGPIHPPF-TUAOUCFPSA-N	0	0	184.323	3.364	10	0		AGAERN
CSc1cccc2c1N[C@H](C)CC2	238385650	573396312	/nfs/dbraw/zinc/39/63/12/573396312.db2.gz	QJRIKWHVZMIFEW-MRVPVSSYSA-N	0	0	193.315	3.155	10	0		AGAERN
CC[C@H](C)[C@@H]1Cc2ccccc2N1	86393916	573401187	/nfs/dbraw/zinc/40/11/87/573401187.db2.gz	GXMJQYVOFUYXPN-CABZTGNLSA-N	0	0	175.275	3.069	10	0		AGAERN
CC[C@@H](C)C1=C[C@H](O)CC(C)(C)C1	86394284	573401462	/nfs/dbraw/zinc/40/14/62/573401462.db2.gz	POPDMSZOPKLIHV-KOLCDFICSA-N	0	0	182.307	3.140	10	0		AGAERN
C[C@@H](c1occc1C=O)[Si](C)(C)C	238387111	573401632	/nfs/dbraw/zinc/40/16/32/573401632.db2.gz	PMUHNVOIAJFIHX-QMMMGPOBSA-N	0	0	196.322	3.073	10	0		AGAERN
C[C@H]1CCCn2c1cnc2C1CCC1	258644956	573402942	/nfs/dbraw/zinc/40/29/42/573402942.db2.gz	WVBNQWZSQSBZKT-VIFPVBQESA-N	0	0	190.290	3.048	10	0		AGAERN
O=C(CCCCF)c1ccccc1F	308575228	573404326	/nfs/dbraw/zinc/40/43/26/573404326.db2.gz	DGGVVCZUQWXIDV-UHFFFAOYSA-N	0	0	198.212	3.148	10	0		AGAERN
CCC(=O)c1ccc(SC)cc1C	118456216	573404329	/nfs/dbraw/zinc/40/43/29/573404329.db2.gz	GXCXNNUJPQRQPS-UHFFFAOYSA-N	0	0	194.299	3.310	10	0		AGAERN
C[C@H]1CC(C)(C)c2cc(F)ccc2N1	258020266	573404512	/nfs/dbraw/zinc/40/45/12/573404512.db2.gz	OAVWEWYVGSAOEY-QMMMGPOBSA-N	0	0	193.265	3.307	10	0		AGAERN
Oc1ccc2ccccc2c1CF	257810482	573404541	/nfs/dbraw/zinc/40/45/41/573404541.db2.gz	ALPICEHVVXVQTB-UHFFFAOYSA-N	0	0	176.190	3.015	10	0		AGAERN
Cc1nc(-c2ccc[nH]2)sc1Cl	259442624	573404862	/nfs/dbraw/zinc/40/48/62/573404862.db2.gz	WZLOEGRUYMNZHX-UHFFFAOYSA-N	0	0	198.678	3.100	10	0		AGAERN
CCCCc1cc(N)cc(OCC)c1	308574912	573405006	/nfs/dbraw/zinc/40/50/06/573405006.db2.gz	GVSJYIAHKZVWOT-UHFFFAOYSA-N	0	0	193.290	3.010	10	0		AGAERN
CC[C@@H](O)[C@H](C)CCC=C(C)C	33506084	573405245	/nfs/dbraw/zinc/40/52/45/573405245.db2.gz	OLPJEGSRSMHTIA-GHMZBOCLSA-N	0	0	170.296	3.140	10	0		AGAERN
CCCc1coc2ccc(O)cc12	118497184	573405565	/nfs/dbraw/zinc/40/55/65/573405565.db2.gz	LNJSVEFABBGIHY-UHFFFAOYSA-N	0	0	176.215	3.091	10	0		AGAERN
Cc1cccc2cccc([C@@H](C)O)c12	238389708	573405628	/nfs/dbraw/zinc/40/56/28/573405628.db2.gz	MKLDRFKUCXGLNE-SNVBAGLBSA-N	0	0	186.254	3.202	10	0		AGAERN
Cc1ccc2c([C@@H](C)O)cccc2c1	238389661	573405710	/nfs/dbraw/zinc/40/57/10/573405710.db2.gz	WCFSANNQLCZORF-SNVBAGLBSA-N	0	0	186.254	3.202	10	0		AGAERN
C[C@@H]1C(=O)CCC[C@@]12C=CCCC2	238389698	573405781	/nfs/dbraw/zinc/40/57/81/573405781.db2.gz	IAPBMZGJVOVUED-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1nc(C2CCCCC2)co1	118472115	573405857	/nfs/dbraw/zinc/40/58/57/573405857.db2.gz	YCEQBRZJQMFAEZ-UHFFFAOYSA-N	0	0	165.236	3.031	10	0		AGAERN
CCCCNc1c(F)cccc1OC	308574148	573405945	/nfs/dbraw/zinc/40/59/45/573405945.db2.gz	CWAXUKCYFDVSRO-UHFFFAOYSA-N	0	0	197.253	3.046	10	0		AGAERN
C[C@@H](O)c1cccc2cccc(F)c12	238389729	573405981	/nfs/dbraw/zinc/40/59/81/573405981.db2.gz	XEMMBPPVKUYCKO-MRVPVSSYSA-N	0	0	190.217	3.032	10	0		AGAERN
COc1cccc(C2CCCC2)c1O	238389072	573407928	/nfs/dbraw/zinc/40/79/28/573407928.db2.gz	HFGBPAZNNMXSIM-UHFFFAOYSA-N	0	0	192.258	3.058	10	0		AGAERN
Nc1cc(C2CCCC2)ccc1F	257810983	573408043	/nfs/dbraw/zinc/40/80/43/573408043.db2.gz	AUNGONZPDBEOAS-UHFFFAOYSA-N	0	0	179.238	3.066	10	0		AGAERN
C[C@@H]1CC(C)(C)c2cc(F)ccc2N1	258020261	573408055	/nfs/dbraw/zinc/40/80/55/573408055.db2.gz	OAVWEWYVGSAOEY-MRVPVSSYSA-N	0	0	193.265	3.307	10	0		AGAERN
CCCc1cc2cc(O)ccc2o1	118500688	573410082	/nfs/dbraw/zinc/41/00/82/573410082.db2.gz	XLUGFVKTVBSEIY-UHFFFAOYSA-N	0	0	176.215	3.091	10	0		AGAERN
Cc1ccc(C)c2c3c([nH]c12)CCC3	83119912	573411998	/nfs/dbraw/zinc/41/19/98/573411998.db2.gz	SGKIJDGFEOMMRV-UHFFFAOYSA-N	0	0	185.270	3.273	10	0		AGAERN
Cc1cc(C)cc([C@@H](O)C2CCC2)c1	83120662	573412118	/nfs/dbraw/zinc/41/21/18/573412118.db2.gz	KPVHOJPEQULWOK-ZDUSSCGKSA-N	0	0	190.286	3.137	10	0		AGAERN
Cc1nc(C2CCC2)nc(Cl)c1C	83120210	573412142	/nfs/dbraw/zinc/41/21/42/573412142.db2.gz	JBEWVMLEIHEAJM-UHFFFAOYSA-N	0	0	196.681	3.014	10	0		AGAERN
C[C@H]1CC(C(=O)C2CCC2)C[C@H](C)C1	83120232	573412160	/nfs/dbraw/zinc/41/21/60/573412160.db2.gz	ONEGQCHQIOWSJN-NXEZZACHSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@@H]1CC(C(=O)C2CCC2)C[C@@H](C)C1	83120231	573412232	/nfs/dbraw/zinc/41/22/32/573412232.db2.gz	ONEGQCHQIOWSJN-UWVGGRQHSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@H]1CCC[C@@H](C(=O)C2CCC2)C1	83120327	573412276	/nfs/dbraw/zinc/41/22/76/573412276.db2.gz	MQIZYMGKDHOSJA-GXSJLCMTSA-N	0	0	180.291	3.182	10	0		AGAERN
CCCCc1cc2cc(O)ccc2o1	118652901	573414724	/nfs/dbraw/zinc/41/47/24/573414724.db2.gz	GCZORRPXMNNOSH-UHFFFAOYSA-N	0	0	190.242	3.481	10	0		AGAERN
O[C@H](c1cccc(Cl)c1)C1CCC1	83120946	573414853	/nfs/dbraw/zinc/41/48/53/573414853.db2.gz	LTLVJEXOOPTPTN-NSHDSACASA-N	0	0	196.677	3.174	10	0		AGAERN
C/C=C(\C)c1c(OC)cccc1OC	238384074	573414869	/nfs/dbraw/zinc/41/48/69/573414869.db2.gz	WMCKSDBFZOMJEC-WEVVVXLNSA-N	0	0	192.258	3.127	10	0		AGAERN
CCCCC/C=C/[C@@H]1C=C[C@H](O)CC1	308579596	573416379	/nfs/dbraw/zinc/41/63/79/573416379.db2.gz	JCOAUXFBNYERSA-VWWYUBIBSA-N	0	0	194.318	3.450	10	0		AGAERN
CC[C@H](C)COc1cc(C)ccc1N	50423242	573418830	/nfs/dbraw/zinc/41/88/30/573418830.db2.gz	NFAGTZMJYIREEG-VIFPVBQESA-N	0	0	193.290	3.002	10	0		AGAERN
CC[C@H](C)CC[C@H](O)C(C)(C)C	50428117	573418946	/nfs/dbraw/zinc/41/89/46/573418946.db2.gz	BHXGZESBJFCGGA-UWVGGRQHSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCC/C=C\[C@@H]1C=C[C@H](O)CC1	308579595	573419038	/nfs/dbraw/zinc/41/90/38/573419038.db2.gz	JCOAUXFBNYERSA-FAVCKAPTSA-N	0	0	194.318	3.450	10	0		AGAERN
COc1sc(C2CCCC2)nc1C	259444512	573420314	/nfs/dbraw/zinc/42/03/14/573420314.db2.gz	XDPNVRMJDLNCLF-UHFFFAOYSA-N	0	0	197.303	3.118	10	0		AGAERN
CCCc1ccc(-c2ccno2)cc1	83141827	573423142	/nfs/dbraw/zinc/42/31/42/573423142.db2.gz	YAFOSSSLLOFIJH-UHFFFAOYSA-N	0	0	187.242	3.294	10	0		AGAERN
Cc1nc(C2CCC2)sc1Cl	259102693	573423509	/nfs/dbraw/zinc/42/35/09/573423509.db2.gz	ARCNTAHVNQZFKP-UHFFFAOYSA-N	0	0	187.695	3.372	10	0		AGAERN
CC(C)C[C@@H](CO)C1CCCCC1	129997413	573423633	/nfs/dbraw/zinc/42/36/33/573423633.db2.gz	NLRBUQBPFPHOTL-LBPRGKRZSA-N	0	0	184.323	3.221	10	0		AGAERN
Cc1cc(C)c([C@H](O)C(C)C)cc1C	83138473	573423660	/nfs/dbraw/zinc/42/36/60/573423660.db2.gz	WRTHWYMXFUUKEO-CYBMUJFWSA-N	0	0	192.302	3.301	10	0		AGAERN
CC(C)c1cc(CO)oc1C(C)C	118830551	573429742	/nfs/dbraw/zinc/42/97/42/573429742.db2.gz	KOBYBNQPOLSHAI-UHFFFAOYSA-N	0	0	182.263	3.019	10	0		AGAERN
CC(C)C[C@H](O)[C@@H]1CC[C@@H](C)C1(C)C	118874103	573436224	/nfs/dbraw/zinc/43/62/24/573436224.db2.gz	BPHWXNLRLXYMGB-WOPDTQHZSA-N	0	0	198.350	3.466	10	0		AGAERN
CC[C@H]1CCNc2c(F)cccc21	257812768	573436393	/nfs/dbraw/zinc/43/63/93/573436393.db2.gz	BVIXHOCBPOZGHZ-QMMMGPOBSA-N	0	0	179.238	3.135	10	0		AGAERN
CCC(=O)CCc1c(C)cccc1C	126217951	573436930	/nfs/dbraw/zinc/43/69/30/573436930.db2.gz	DKZRHUCESVONDI-UHFFFAOYSA-N	0	0	190.286	3.215	10	0		AGAERN
CC1=CC[C@H]([C@@H](O)CC(C)C)C1(C)C	118868794	573436997	/nfs/dbraw/zinc/43/69/97/573436997.db2.gz	GCNAWFACHQGKCN-NEPJUHHUSA-N	0	0	196.334	3.386	10	0		AGAERN
CC(C)C[C@H](O)[C@H]1CC[C@@H](C)C1(C)C	118874107	573437198	/nfs/dbraw/zinc/43/71/98/573437198.db2.gz	BPHWXNLRLXYMGB-UTUOFQBUSA-N	0	0	198.350	3.466	10	0		AGAERN
C[C@@H](O)C[C@@H]1CC2=C1C(C)(C)CCC2	238396241	573440446	/nfs/dbraw/zinc/44/04/46/573440446.db2.gz	OFHJSAXYSSSASI-MWLCHTKSSA-N	0	0	194.318	3.284	10	0		AGAERN
CC(=O)Nc1cc(C(C)C)ccc1C	74984883	573443081	/nfs/dbraw/zinc/44/30/81/573443081.db2.gz	MRUMQSGZFBBOOS-UHFFFAOYSA-N	0	0	191.274	3.077	10	0		AGAERN
Cc1cccc(C(=O)CCCCF)c1	308586641	573443318	/nfs/dbraw/zinc/44/33/18/573443318.db2.gz	IPVZBUWQITXKTC-UHFFFAOYSA-N	0	0	194.249	3.318	10	0		AGAERN
c1ccc2c(c1)NC[C@@H]2C1CCCC1	107252647	573443554	/nfs/dbraw/zinc/44/35/54/573443554.db2.gz	CPIBTNTZBHUDNS-GFCCVEGCSA-N	0	0	187.286	3.386	10	0		AGAERN
CC/C=C/CC/C(C)=C/CCO	238219744	573443075	/nfs/dbraw/zinc/44/30/75/573443075.db2.gz	AKUBJVNQYOKBBF-RQYWULHYSA-N	0	0	168.280	3.062	10	0		AGAERN
Cc1noc(C2CCCCCC2)c1N	257816334	573445860	/nfs/dbraw/zinc/44/58/60/573445860.db2.gz	DIJCCVPXHKCDJD-UHFFFAOYSA-N	0	0	194.278	3.003	10	0		AGAERN
C=CC1=C(C)CC[C@]1(C)[C@@H](C)CCO	308586861	573445991	/nfs/dbraw/zinc/44/59/91/573445991.db2.gz	MQTWQRHHVIKITN-WCQYABFASA-N	0	0	194.318	3.308	10	0		AGAERN
CC(C)C(F)(F)c1ccc(N)cc1	107256059	573446072	/nfs/dbraw/zinc/44/60/72/573446072.db2.gz	CYCNHHSKNUWQLA-UHFFFAOYSA-N	0	0	185.217	3.017	10	0		AGAERN
C[C@H]1C[C@H](C)c2sccc2N1	258022387	573446151	/nfs/dbraw/zinc/44/61/51/573446151.db2.gz	OHLUIBDBPKBLGU-BQBZGAKWSA-N	0	0	167.277	3.056	10	0		AGAERN
Cc1coc(C2(O)CCCCCC2)c1	715808881	573451758	/nfs/dbraw/zinc/45/17/58/573451758.db2.gz	YSMZQDXFXJKJHP-UHFFFAOYSA-N	0	0	194.274	3.130	10	0		AGAERN
O=C(CCCCF)c1cccc(F)c1	308587852	573451910	/nfs/dbraw/zinc/45/19/10/573451910.db2.gz	JDIWSHFDSKXCKB-UHFFFAOYSA-N	0	0	198.212	3.148	10	0		AGAERN
C/C=C/[C@H](C)C[C@H](O)c1ccccc1	393665179	573452081	/nfs/dbraw/zinc/45/20/81/573452081.db2.gz	GXQJLLXBWRJFCF-TWICZNDLSA-N	0	0	190.286	3.322	10	0		AGAERN
F[C@H]1CC[C@@H](c2ccccc2)C1	107259673	573452095	/nfs/dbraw/zinc/45/20/95/573452095.db2.gz	HQPUPVKSGPGCCT-MNOVXSKESA-N	0	0	164.223	3.292	10	0		AGAERN
CCc1oncc1NCCC(C)(C)C	308588607	573452112	/nfs/dbraw/zinc/45/21/12/573452112.db2.gz	JKKIDYJNDCOSPS-UHFFFAOYSA-N	0	0	196.294	3.085	10	0		AGAERN
CC(=O)[C@]1(C)CC[C@@H]1CC(C)C	139339308	571916743	/nfs/dbraw/zinc/91/67/43/571916743.db2.gz	IDHLXQHSCCRETC-MNOVXSKESA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)CC[C@]1(C)CCC=C1C	142678519	573456904	/nfs/dbraw/zinc/45/69/04/573456904.db2.gz	FJXCDFSRZLXRTG-NSHDSACASA-N	0	0	166.264	3.102	10	0		AGAERN
Cc1ccc(N[C@@H](C)CC(C)C)nc1	37265074	571764096	/nfs/dbraw/zinc/76/40/96/571764096.db2.gz	DJMWPKGJCBZMBK-NSHDSACASA-N	0	0	192.306	3.237	10	0		AGAERN
CC(C)=C[C@H](O)[C@H]1CC(C)=C[C@@H](C)C1	235601888	573457040	/nfs/dbraw/zinc/45/70/40/573457040.db2.gz	WVQFPMOGASLQBS-RTXFEEFZSA-N	0	0	194.318	3.306	10	0		AGAERN
Cc1ccc(C(C)(C)C)c(C)c1O	39212750	571910342	/nfs/dbraw/zinc/91/03/42/571910342.db2.gz	AJMYSQMYDOXMBK-UHFFFAOYSA-N	0	0	178.275	3.307	10	0		AGAERN
CCC(C)(C)C(=O)CC(C)C	39218730	571912574	/nfs/dbraw/zinc/91/25/74/571912574.db2.gz	OVUAQWXJBKDQRR-UHFFFAOYSA-N	0	0	156.269	3.038	10	0		AGAERN
CC[C@@H](CC(F)F)CC(C)(C)CO	687901303	571943291	/nfs/dbraw/zinc/94/32/91/571943291.db2.gz	OCWAXUUJAUTOIU-QMMMGPOBSA-N	0	0	194.265	3.076	10	0		AGAERN
Cc1cc(O)cc(C(C)(C)C)c1C	39256281	571917095	/nfs/dbraw/zinc/91/70/95/571917095.db2.gz	IZUCEPCUHSAYRD-UHFFFAOYSA-N	0	0	178.275	3.307	10	0		AGAERN
Cc1cc([C@H]2C=CCC2)cc(C)c1O	39271518	571919911	/nfs/dbraw/zinc/91/99/11/571919911.db2.gz	VNBJODGDTMNXPQ-NSHDSACASA-N	0	0	188.270	3.443	10	0		AGAERN
Cc1c(N)ccc2cc(Cl)ccc12	258376011	573459465	/nfs/dbraw/zinc/45/94/65/573459465.db2.gz	XKDQIKNNQYWFSR-UHFFFAOYSA-N	0	0	191.661	3.384	10	0		AGAERN
CC[C@](O)(C1=CCCCCC1)C1CC1	233974232	571942856	/nfs/dbraw/zinc/94/28/56/571942856.db2.gz	GOLIQIATLTVPCE-ZDUSSCGKSA-N	0	0	194.318	3.428	10	0		AGAERN
Cc1ccoc1[C@H](O)CC(C)(C)C	713145819	571942880	/nfs/dbraw/zinc/94/28/80/571942880.db2.gz	MWHVZDNUYKMUTH-SECBINFHSA-N	0	0	182.263	3.058	10	0		AGAERN
CC(=O)c1cccc2c1CCC[C@@H]2F	107267203	573459516	/nfs/dbraw/zinc/45/95/16/573459516.db2.gz	IFCFRBPXIXYESW-LBPRGKRZSA-N	0	0	192.233	3.236	10	0		AGAERN
COc1cc2cc(C)oc2cc1C	238403554	573460542	/nfs/dbraw/zinc/46/05/42/573460542.db2.gz	VGNAPELNHYLWQI-UHFFFAOYSA-N	0	0	176.215	3.058	10	0		AGAERN
c1ccc([C@H]2CCCS2)cc1	32203622	571971242	/nfs/dbraw/zinc/97/12/42/571971242.db2.gz	MPVOADXYDASAQE-SNVBAGLBSA-N	0	0	164.273	3.255	10	0		AGAERN
CC(C)=CC[C@@H](O)c1ccccc1	32218377	571972209	/nfs/dbraw/zinc/97/22/09/571972209.db2.gz	NTBNCURUHABURS-GFCCVEGCSA-N	0	0	176.259	3.076	10	0		AGAERN
Cc1cc2cccc(O)c2cc1C	32211004	571972617	/nfs/dbraw/zinc/97/26/17/571972617.db2.gz	JHGMBKMPUBNWBB-UHFFFAOYSA-N	0	0	172.227	3.162	10	0		AGAERN
c1ccc2[nH]c([C@@H]3CCCO3)cc2c1	32223039	571973077	/nfs/dbraw/zinc/97/30/77/571973077.db2.gz	NHXNUFZTWXFKMD-LBPRGKRZSA-N	0	0	187.242	3.019	10	0		AGAERN
CC1=C(C)OC(C(C)C)=CC1	39103109	571984892	/nfs/dbraw/zinc/98/48/92/571984892.db2.gz	SWNKFDXTSKNDOZ-UHFFFAOYSA-N	0	0	152.237	3.241	10	0		AGAERN
Nc1cccc([C@@H]2CCCC2(F)F)c1	107277557	573467023	/nfs/dbraw/zinc/46/70/23/573467023.db2.gz	BVTXITKSIAHIRU-JTQLQIEISA-N	0	0	197.228	3.172	10	0		AGAERN
CCC[C@H](CC)c1cc(O)cc(O)c1	238223123	573467024	/nfs/dbraw/zinc/46/70/24/573467024.db2.gz	WKYSIXKUMCANDP-VIFPVBQESA-N	0	0	194.274	3.392	10	0		AGAERN
CC(C)[C@@H](F)c1cccc(C=O)c1	107281290	573471969	/nfs/dbraw/zinc/47/19/69/573471969.db2.gz	DYWMDHLUICHPMT-LLVKDONJSA-N	0	0	180.222	3.166	10	0		AGAERN
CC(C)C[C@@H](C)C[C@@H](O)C1(C)CC1	300838579	571977957	/nfs/dbraw/zinc/97/79/57/571977957.db2.gz	CWMMVBRVKMILFW-GHMZBOCLSA-N	0	0	184.323	3.220	10	0		AGAERN
C=Cc1c(C=O)ccc2ccccc12	139886851	571978022	/nfs/dbraw/zinc/97/80/22/571978022.db2.gz	NRIYKVMABLZJFL-UHFFFAOYSA-N	0	0	182.222	3.295	10	0		AGAERN
CC(C)=CCCC(C)C=O	206735289	571978051	/nfs/dbraw/zinc/97/80/51/571978051.db2.gz	BNWWJOLOPASZSC-VQHVLOKHSA-N	0	0	140.226	3.195	10	0		AGAERN
CC[C@H](C)[C@H](O)[C@H](C)CC(C)C	300830778	571978203	/nfs/dbraw/zinc/97/82/03/571978203.db2.gz	BZKQZSOHGWBHLO-AXFHLTTASA-N	0	0	172.312	3.076	10	0		AGAERN
CC(C)C[C@@H]1Cc2ccccc2N1	83388970	573472018	/nfs/dbraw/zinc/47/20/18/573472018.db2.gz	WARVQUIRLXIZEG-LLVKDONJSA-N	0	0	175.275	3.069	10	0		AGAERN
CCc1cc(=S)sc(=S)[nH]1	196433022	571982689	/nfs/dbraw/zinc/98/26/89/571982689.db2.gz	PUZBOXZEKWCDPL-UHFFFAOYSA-N	0	0	189.330	3.098	10	0		AGAERN
CC(C)Nc1nc2c(s1)CC[C@H]2C	83389698	573477782	/nfs/dbraw/zinc/47/77/82/573477782.db2.gz	YUNUDPJGSXQPNU-SSDOTTSWSA-N	0	0	196.319	3.013	10	0		AGAERN
CSC1=CCCC1(C)C	238413612	573477801	/nfs/dbraw/zinc/47/78/01/573477801.db2.gz	MMCSORPCAKMLTI-UHFFFAOYSA-N	0	0	142.267	3.053	10	0		AGAERN
Cc1c(O)cc2c(c1C)CCC[C@@H]2C	196171831	571989128	/nfs/dbraw/zinc/98/91/28/571989128.db2.gz	BBMGLBJANDXFNI-QMMMGPOBSA-N	0	0	190.286	3.449	10	0		AGAERN
Cc1ccc2c(c1)N[C@H](C)CCC2	219472344	571991245	/nfs/dbraw/zinc/99/12/45/571991245.db2.gz	OQRBNEZFXKJZDW-SNVBAGLBSA-N	0	0	175.275	3.132	10	0		AGAERN
CC(C)(C)CCC(=O)Cc1ccco1	300874028	571997505	/nfs/dbraw/zinc/99/75/05/571997505.db2.gz	NPSVOTBSJKAJHI-UHFFFAOYSA-N	0	0	194.274	3.218	10	0		AGAERN
C[C@H]1C=C2CCCC(=O)[C@@]2(C)CC1	238413541	573479134	/nfs/dbraw/zinc/47/91/34/573479134.db2.gz	KEZGZBXRROMXND-SKDRFNHKSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@H](C)Oc1cc(N)c(C)cc1C	234018933	572000730	/nfs/dbraw/zinc/00/07/30/572000730.db2.gz	MPEBMJXYTAYECL-JTQLQIEISA-N	0	0	193.290	3.063	10	0		AGAERN
O=C(CSC1CCCCC1)C1CC1	68906610	572008610	/nfs/dbraw/zinc/00/86/10/572008610.db2.gz	XXDIHFBPVWYODE-UHFFFAOYSA-N	0	0	198.331	3.031	10	0		AGAERN
C[C@@H](c1ccccc1F)n1cccc1	42228266	572008900	/nfs/dbraw/zinc/00/89/00/572008900.db2.gz	GTMDZUGWVQNNNO-JTQLQIEISA-N	0	0	189.233	3.237	10	0		AGAERN
CC/C=C(\C)[C@@H]1C[C@@H](CCO)C1(C)C	308595669	573483470	/nfs/dbraw/zinc/48/34/70/573483470.db2.gz	RSBUEAPORFTRDX-IUEHSCGASA-N	0	0	196.334	3.387	10	0		AGAERN
Cc1cc(C)c2c(c1O)C[C@H](C)CC2	238415146	573485144	/nfs/dbraw/zinc/48/51/44/573485144.db2.gz	RLAUKGSGXHUURX-MRVPVSSYSA-N	0	0	190.286	3.134	10	0		AGAERN
CCc1c(O)ccc2ccccc12	33505972	572018468	/nfs/dbraw/zinc/01/84/68/572018468.db2.gz	APBRTNCOFUFMAA-UHFFFAOYSA-N	0	0	172.227	3.108	10	0		AGAERN
Cc1cc(C)c2c(c1O)CC[C@@H](C)C2	238415841	573485162	/nfs/dbraw/zinc/48/51/62/573485162.db2.gz	XSQOYGAIKHSMQS-MRVPVSSYSA-N	0	0	190.286	3.134	10	0		AGAERN
C[C@@H]1CCC=C2CCC(=O)C[C@@]21C	14823260	572022719	/nfs/dbraw/zinc/02/27/19/572022719.db2.gz	RKKGFWOMSDLRQL-BXKDBHETSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(=O)Cc1cc(C)c(C)c(C)c1C	258039163	573490537	/nfs/dbraw/zinc/49/05/37/573490537.db2.gz	JPWDGJYLPJZDCJ-UHFFFAOYSA-N	0	0	190.286	3.052	10	0		AGAERN
CCC(=O)[C@@H](C)CCC(C)C	82442472	572026767	/nfs/dbraw/zinc/02/67/67/572026767.db2.gz	JMHXCWZTQJOIKV-VIFPVBQESA-N	0	0	156.269	3.038	10	0		AGAERN
CCC(=O)[C@@H](C)CC1CCCC1	82442632	572027964	/nfs/dbraw/zinc/02/79/64/572027964.db2.gz	CNDTWYJNGKHOHN-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H](C)[C@H](C)n1cccc1	42558326	572036089	/nfs/dbraw/zinc/03/60/89/572036089.db2.gz	LVSITLLSTLVZLC-ZJUUUORDSA-N	0	0	151.253	3.095	10	0		AGAERN
CC[C@H](C)[C@H](C)n1cc[nH]c1=S	42557455	572036469	/nfs/dbraw/zinc/03/64/69/572036469.db2.gz	BDVSGUFZHUZKAZ-YUMQZZPRSA-N	0	0	184.308	3.153	10	0		AGAERN
Cc1cccc(OC/C=C/Cl)c1	33842029	572036536	/nfs/dbraw/zinc/03/65/36/572036536.db2.gz	VYWUABACHYXCLC-ZZXKWVIFSA-N	0	0	182.650	3.126	10	0		AGAERN
Oc1ccc2c(c1)[C@@H]1CCCC[C@@H]21	207174923	572045112	/nfs/dbraw/zinc/04/51/12/572045112.db2.gz	CRAQUJGAQFKGKW-NXEZZACHSA-N	0	0	174.243	3.147	10	0		AGAERN
C[C@@H]1CC(=O)CC2=CCCC[C@@]21C	238408381	573493124	/nfs/dbraw/zinc/49/31/24/573493124.db2.gz	WUFOBSDRUJXSEZ-BXKDBHETSA-N	0	0	178.275	3.102	10	0		AGAERN
CCCC[C@H]1CNc2ccccc21	34112176	572055215	/nfs/dbraw/zinc/05/52/15/572055215.db2.gz	LALRFEQBOIQRND-JTQLQIEISA-N	0	0	175.275	3.386	10	0		AGAERN
CCCOc1c(C)ccc(C)c1NC	71457397	572055224	/nfs/dbraw/zinc/05/52/24/572055224.db2.gz	KITGQPRMDUPJSP-UHFFFAOYSA-N	0	0	193.290	3.134	10	0		AGAERN
CSc1c(C)cc(C)c(O)c1C	34113886	572055728	/nfs/dbraw/zinc/05/57/28/572055728.db2.gz	FYMIVPPXIHKSJP-UHFFFAOYSA-N	0	0	182.288	3.039	10	0		AGAERN
CC(=O)c1c[nH]c(C2=CCCCC2)c1	34127981	572058498	/nfs/dbraw/zinc/05/84/98/572058498.db2.gz	DOOZTKMQNDTNOT-UHFFFAOYSA-N	0	0	189.258	3.175	10	0		AGAERN
c1ccc([C@H]2CCCCS2)nc1	34133300	572058521	/nfs/dbraw/zinc/05/85/21/572058521.db2.gz	VPKBTDAXPNJXMI-SNVBAGLBSA-N	0	0	179.288	3.040	10	0		AGAERN
CC(C)(C)C[C@H]1CCCC[C@H](O)C1	713208131	572058580	/nfs/dbraw/zinc/05/85/80/572058580.db2.gz	DAXDNTBABXVPIU-QWRGUYRKSA-N	0	0	184.323	3.364	10	0		AGAERN
C/C=C\c1cc(OC)c2ccccc2n1	78516807	572071801	/nfs/dbraw/zinc/07/18/01/572071801.db2.gz	IMBOAFRTQPDEDJ-UTCJRWHESA-N	0	0	199.253	3.277	10	0		AGAERN
CCCc1c(O)ccc2occ(C)c12	34325010	572071883	/nfs/dbraw/zinc/07/18/83/572071883.db2.gz	XWJPQXISALWHCN-UHFFFAOYSA-N	0	0	190.242	3.399	10	0		AGAERN
c1cc2c3c(c[nH]c3c1)CCCC2	34295475	572071908	/nfs/dbraw/zinc/07/19/08/572071908.db2.gz	FWURCAUKVVMKBJ-UHFFFAOYSA-N	0	0	171.243	3.047	10	0		AGAERN
O=Cc1cc2ccc3ccccc3c2o1	34318854	572073380	/nfs/dbraw/zinc/07/33/80/572073380.db2.gz	HSINFBUEWVXJAN-UHFFFAOYSA-N	0	0	196.205	3.399	10	0		AGAERN
CCCSc1ccc(C=O)c(C)c1	82612310	572073447	/nfs/dbraw/zinc/07/34/47/572073447.db2.gz	KMOYQAGSYWVYSS-UHFFFAOYSA-N	0	0	194.299	3.310	10	0		AGAERN
CCC(CC)[C@@H](C)n1cccc1	82634149	572078351	/nfs/dbraw/zinc/07/83/51/572078351.db2.gz	BPDDJFMJDZFSJI-SNVBAGLBSA-N	0	0	165.280	3.485	10	0		AGAERN
CCCCCNc1cccnc1Cl	36982453	572078364	/nfs/dbraw/zinc/07/83/64/572078364.db2.gz	MIYPFXOMLQMULC-UHFFFAOYSA-N	0	0	198.697	3.337	10	0		AGAERN
CC1=C2CC[C@H](C)[C@H]2CC(=O)CC1	34413835	572078394	/nfs/dbraw/zinc/07/83/94/572078394.db2.gz	ZYOKWTFVIWCSCJ-JOYOIKCWSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@H](C)CC(=O)c1cc(C)ccn1	82643475	572078424	/nfs/dbraw/zinc/07/84/24/572078424.db2.gz	BXZDDZJSKPUMFY-VIFPVBQESA-N	0	0	191.274	3.009	10	0		AGAERN
Cc1[nH]c(-c2ccccn2)c(C)c1C	34408407	572078430	/nfs/dbraw/zinc/07/84/30/572078430.db2.gz	RJXUFRZNIIAKQQ-UHFFFAOYSA-N	0	0	186.258	3.002	10	0		AGAERN
c1cc(C2SCCCS2)co1	34414274	572078437	/nfs/dbraw/zinc/07/84/37/572078437.db2.gz	NORGSJQLRBXSPM-UHFFFAOYSA-N	0	0	186.301	3.148	10	0		AGAERN
CC1=CC[C@@]2(C)C(=O)CCC[C@H]2C1	34592693	572096995	/nfs/dbraw/zinc/09/69/95/572096995.db2.gz	GIMQJNVHSNHOLP-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)(C)C[C@@](C)(O)[C@H]1CC1(C)C	713218580	572111266	/nfs/dbraw/zinc/11/12/66/572111266.db2.gz	PWGJDKQGIXARNY-JOYOIKCWSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H](C)SCCCCC(C)=O	37331106	572111272	/nfs/dbraw/zinc/11/12/72/572111272.db2.gz	YLVZTUWXLKYUFP-JTQLQIEISA-N	0	0	188.336	3.277	10	0		AGAERN
CC(C)(C)C[C@](C)(O)[C@@H]1CC1(C)C	713218583	572111640	/nfs/dbraw/zinc/11/16/40/572111640.db2.gz	PWGJDKQGIXARNY-SKDRFNHKSA-N	0	0	184.323	3.220	10	0		AGAERN
CCOc1cc(C)c(N)c(C(C)C)c1	34797537	572111825	/nfs/dbraw/zinc/11/18/25/572111825.db2.gz	LNTRRTZENNNIBS-UHFFFAOYSA-N	0	0	193.290	3.099	10	0		AGAERN
CSc1cc(O)cc(Cl)c1C	238408301	573493904	/nfs/dbraw/zinc/49/39/04/573493904.db2.gz	PHDIWYJDNAVXDD-UHFFFAOYSA-N	0	0	188.679	3.076	10	0		AGAERN
CCC[C@@](O)(CC)c1ccccc1	37462552	572129684	/nfs/dbraw/zinc/12/96/84/572129684.db2.gz	DGPOGDBVEBWCBK-LBPRGKRZSA-N	0	0	178.275	3.084	10	0		AGAERN
Cc1cc2cc([C@H](C)O)ccc2s1	258044260	573495151	/nfs/dbraw/zinc/49/51/51/573495151.db2.gz	KVCXJFFEIYVZSO-QMMMGPOBSA-N	0	0	192.283	3.263	10	0		AGAERN
C[C@@H](O)C(C)(C)C=C=C1CCCCC1	238420526	573495210	/nfs/dbraw/zinc/49/52/10/573495210.db2.gz	JHCSNUALGNDFJD-LLVKDONJSA-N	0	0	194.318	3.439	10	0		AGAERN
CNc1nc(C)c(CCCC(C)C)o1	258692198	573495228	/nfs/dbraw/zinc/49/52/28/573495228.db2.gz	GPEIAUABKNOAKF-UHFFFAOYSA-N	0	0	196.294	3.003	10	0		AGAERN
Cc1ccc(C)n1[C@H](C)C(C)C	35651171	572181350	/nfs/dbraw/zinc/18/13/50/572181350.db2.gz	NPXHJRGPLBIVQN-LLVKDONJSA-N	0	0	165.280	3.322	10	0		AGAERN
CCC[C@@](C)(CO)[C@H](C)CC(C)C	388667903	572187378	/nfs/dbraw/zinc/18/73/78/572187378.db2.gz	XCCZTFOZUQJWNF-NEPJUHHUSA-N	0	0	186.339	3.467	10	0		AGAERN
CC(C)C[C@]1(C)CCCC(=O)C1	35854927	572187393	/nfs/dbraw/zinc/18/73/93/572187393.db2.gz	SBWDAJNDRYLQLA-NSHDSACASA-N	0	0	168.280	3.182	10	0		AGAERN
CC(=O)CC[C@H]1CCCC[C@@H]1C	196605661	572343434	/nfs/dbraw/zinc/34/34/34/572343434.db2.gz	CJYZPVXQUNPNLV-GXSJLCMTSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)C[C@]1(O)CCC[C@H](C)CC1	83434544	573498229	/nfs/dbraw/zinc/49/82/29/573498229.db2.gz	LCOORRILGRNFGX-RYUDHWBXSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)[C@@H](C)Nc1ccc(F)cc1F	19952118	572208217	/nfs/dbraw/zinc/20/82/17/572208217.db2.gz	UMWFOTPIXNREKQ-MRVPVSSYSA-N	0	0	199.244	3.421	10	0		AGAERN
C/C(=C/Cl)CC[C@H](O)CC(C)C	307980636	572343342	/nfs/dbraw/zinc/34/33/42/572343342.db2.gz	OAYKTNTVIFNSED-RNKPRXRFSA-N	0	0	190.714	3.316	10	0		AGAERN
CC/C=C(/C)[C@@H](O)c1ccc(CC)o1	238216233	572343356	/nfs/dbraw/zinc/34/33/56/572343356.db2.gz	GNSDDMYLVCQNTP-OJIASSBASA-N	0	0	194.274	3.232	10	0		AGAERN
CC(=O)CC[C@@H]1CCCC[C@@H]1C	196605689	572343364	/nfs/dbraw/zinc/34/33/64/572343364.db2.gz	CJYZPVXQUNPNLV-ONGXEEELSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(=O)CC[C@@H]1CCCC[C@H]1C	196605675	572343383	/nfs/dbraw/zinc/34/33/83/572343383.db2.gz	CJYZPVXQUNPNLV-KOLCDFICSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCCC[C@@H](O)[C@H]1C=CCC=CC1	238216169	572343413	/nfs/dbraw/zinc/34/34/13/572343413.db2.gz	OSZXMJNNKSNQIQ-CHWSQXEVSA-N	0	0	194.318	3.450	10	0		AGAERN
CC(C)n1ccc2cc(F)ccc21	75234151	573505979	/nfs/dbraw/zinc/50/59/79/573505979.db2.gz	JXVKQIOPGNEQPD-UHFFFAOYSA-N	0	0	177.222	3.361	10	0		AGAERN
C[C@H](O)C/C=C/c1ccc(Cl)cc1	238419787	573505994	/nfs/dbraw/zinc/50/59/94/573505994.db2.gz	RYBYKIXIWILEDD-LXOKAJLYSA-N	0	0	196.677	3.124	10	0		AGAERN
C=C1C=CCC(C)(C)/C1=C\C[C@H](C)O	238419833	573506076	/nfs/dbraw/zinc/50/60/76/573506076.db2.gz	VKNXVSIZMHCCFY-LCFDYFRESA-N	0	0	192.302	3.226	10	0		AGAERN
CC[C@]1(O)CCC[C@@H](C(C)C)CC1	83438080	573506088	/nfs/dbraw/zinc/50/60/88/573506088.db2.gz	LZZLRLYFRAATAU-NEPJUHHUSA-N	0	0	184.323	3.364	10	0		AGAERN
Nc1ccccc1[C@@H]1CC[C@H]1C(F)F	258048615	573506157	/nfs/dbraw/zinc/50/61/57/573506157.db2.gz	JXJMHZXADOWZKU-IONNQARKSA-N	0	0	197.228	3.028	10	0		AGAERN
C=C/C=C\CC[C@H](O)c1ccc(C)o1	713691303	572346715	/nfs/dbraw/zinc/34/67/15/572346715.db2.gz	AGXPTHIQPMLGGK-WYGGZMRJSA-N	0	0	192.258	3.144	10	0		AGAERN
CCC/C=C/[C@H](O)c1ccc(C)cc1	238217867	572346794	/nfs/dbraw/zinc/34/67/94/572346794.db2.gz	MZAQEACLDOBIMZ-GFUIURDCSA-N	0	0	190.286	3.385	10	0		AGAERN
CCCC/C=C\[C@@H](O)CC(C)C	307984143	572346799	/nfs/dbraw/zinc/34/67/99/572346799.db2.gz	RHIKDCPXPSZUFF-SKVAFPRGSA-N	0	0	170.296	3.140	10	0		AGAERN
Oc1ccc2cccc3c2c1CCC3	196770740	572378123	/nfs/dbraw/zinc/37/81/23/572378123.db2.gz	RAFFBKMPIOUFTM-UHFFFAOYSA-N	0	0	184.238	3.034	10	0		AGAERN
Oc1ccc2c3c(cccc13)[C@H]1C=C[C@H]21	238676140	572379629	/nfs/dbraw/zinc/37/96/29/572379629.db2.gz	GTXHWBNCIVWABF-IUCAKERBSA-N	0	0	194.233	3.296	10	0		AGAERN
CCC(CC)[C@@](C)(O)[C@@H](C)CC	87158451	572379668	/nfs/dbraw/zinc/37/96/68/572379668.db2.gz	YCEUNQMNSGFKMG-ONGXEEELSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC(CC)CC(=O)C(C)(C)C	87158128	572379675	/nfs/dbraw/zinc/37/96/75/572379675.db2.gz	XPZVWOBHKFCPAW-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
CCC[C@@H]1CCC[C@](C)(O)CC1	83437976	573506431	/nfs/dbraw/zinc/50/64/31/573506431.db2.gz	UXSFLJITMLOSRA-MNOVXSKESA-N	0	0	170.296	3.118	10	0		AGAERN
CCC(CC)C(=O)[C@@H]1CC[C@H](C)C1	87169334	572395225	/nfs/dbraw/zinc/39/52/25/572395225.db2.gz	SHQZYYWITPLODL-GXSJLCMTSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@]1(O)CCC[C@H](C(C)C)CC1	83438078	573507197	/nfs/dbraw/zinc/50/71/97/573507197.db2.gz	LZZLRLYFRAATAU-RYUDHWBXSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@@]1(CC)C(=O)C[C@@H]1C	238256226	573507204	/nfs/dbraw/zinc/50/72/04/573507204.db2.gz	SWDCSUXKSLBPJO-GXSJLCMTSA-N	0	0	168.280	3.182	10	0		AGAERN
CNc1cccc(-c2ccncc2C)c1	234538037	572396261	/nfs/dbraw/zinc/39/62/61/572396261.db2.gz	VUCOIEGLNGJWPA-UHFFFAOYSA-N	0	0	198.269	3.099	10	0		AGAERN
CC[C@H](CC(C)C)[C@H](O)c1cc[nH]c1	308008423	572396262	/nfs/dbraw/zinc/39/62/62/572396262.db2.gz	GRSDJOOOCIXVFV-PWSUYJOCSA-N	0	0	195.306	3.120	10	0		AGAERN
CCC[C@H](O)C/C=C\SC(C)C	206846635	572401619	/nfs/dbraw/zinc/40/16/19/572401619.db2.gz	CBEQPWYQMZJISK-NVDWLVSRSA-N	0	0	188.336	3.193	10	0		AGAERN
CC[C@@H]1CCC[C@](O)(C(C)C)CC1	83436424	573507249	/nfs/dbraw/zinc/50/72/49/573507249.db2.gz	DCBXGCADOLNJTR-VXGBXAGGSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H]1CCCC[C@@]1(O)c1ccsc1	83447310	573511979	/nfs/dbraw/zinc/51/19/79/573511979.db2.gz	UOEAYBRMCJXYOF-ONGXEEELSA-N	0	0	196.315	3.146	10	0		AGAERN
CC(C)(C)[C@@H]1CCC[C@](C)(O)CC1	83438690	573512039	/nfs/dbraw/zinc/51/20/39/573512039.db2.gz	WBIPPFFEPRVKGX-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H]1CC[C@@H]([C@H](O)CC2CCC2)C1	83840924	572437310	/nfs/dbraw/zinc/43/73/10/572437310.db2.gz	UPCKTQRIPRKJBC-RAIGVLPGSA-N	0	0	196.334	3.364	10	0		AGAERN
O=Cc1coc2c(Cl)cc(F)cc12	74236549	572437340	/nfs/dbraw/zinc/43/73/40/572437340.db2.gz	RHDZJWYEFGMHOJ-UHFFFAOYSA-N	0	0	198.580	3.038	10	0		AGAERN
Cc1ccc2c(c1)[C@@H](O)C[C@@H](C)CC2	61831874	572456572	/nfs/dbraw/zinc/45/65/72/572456572.db2.gz	WPXDTXQHORLXLM-GWCFXTLKSA-N	0	0	190.286	3.001	10	0		AGAERN
Cc1cc([C@@H](O)CC(C)C)cs1	83448336	573512280	/nfs/dbraw/zinc/51/22/80/573512280.db2.gz	LTNQDYNKQNRHDE-JTQLQIEISA-N	0	0	184.304	3.136	10	0		AGAERN
Cc1cc([C@@H](O)C(C)(C)C)cs1	83448482	573512320	/nfs/dbraw/zinc/51/23/20/573512320.db2.gz	JSTSXYPWERFBQZ-SECBINFHSA-N	0	0	184.304	3.136	10	0		AGAERN
CC[C@](O)(c1ccsc1)C(C)C	83447549	573512438	/nfs/dbraw/zinc/51/24/38/573512438.db2.gz	XKRJQYHXETUUPW-SNVBAGLBSA-N	0	0	184.304	3.002	10	0		AGAERN
C=C1C=CCC(C)(C)/C1=C\C[C@@H](C)O	238422669	573512466	/nfs/dbraw/zinc/51/24/66/573512466.db2.gz	VKNXVSIZMHCCFY-HQQGHWSLSA-N	0	0	192.302	3.226	10	0		AGAERN
C[C@@H](O)C1(C)CCCCCCC1	238423071	573512495	/nfs/dbraw/zinc/51/24/95/573512495.db2.gz	JXYVUGAACPPVKM-SNVBAGLBSA-N	0	0	170.296	3.118	10	0		AGAERN
Cc1cc([C@@]2(O)CC[C@@H](C)C2)cs1	83448761	573512505	/nfs/dbraw/zinc/51/25/05/573512505.db2.gz	LTWZUWIAYIXROJ-LDYMZIIASA-N	0	0	196.315	3.064	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1csc(C)c1	83448158	573512544	/nfs/dbraw/zinc/51/25/44/573512544.db2.gz	IIUHFQUAPIXYJG-XCBNKYQSSA-N	0	0	184.304	3.136	10	0		AGAERN
CSc1cccc(C(C)C)c1O	238423102	573512572	/nfs/dbraw/zinc/51/25/72/573512572.db2.gz	URZFWJBXCADALQ-UHFFFAOYSA-N	0	0	182.288	3.238	10	0		AGAERN
C[C@@H](O)C/C=C/C=C1CCCCC1	238422526	573512580	/nfs/dbraw/zinc/51/25/80/573512580.db2.gz	AQDFCBGRLOZWLO-MVIFTORASA-N	0	0	180.291	3.204	10	0		AGAERN
CC(C)C(C)(C)CC1(CO)CC=CC1	713267235	572504812	/nfs/dbraw/zinc/50/48/12/572504812.db2.gz	ONQCINBSPUJMKI-UHFFFAOYSA-N	0	0	196.334	3.387	10	0		AGAERN
CC[C@](C)(/C=C/c1ccccc1)CO	238290029	572532859	/nfs/dbraw/zinc/53/28/59/572532859.db2.gz	ACWGVJLMMUEKGN-WTNCMQEWSA-N	0	0	190.286	3.108	10	0		AGAERN
C[C@H](O)C1=CC2=C(CCCC2)C1(C)C	238423097	573513822	/nfs/dbraw/zinc/51/38/22/573513822.db2.gz	UAMULHUNKJOMLM-VIFPVBQESA-N	0	0	192.302	3.204	10	0		AGAERN
C[C@H](O)[C@H]1CC[C@@H](C(C)(C)C)CC1	238424376	573518676	/nfs/dbraw/zinc/51/86/76/573518676.db2.gz	FNBYRKVLUFZUKN-DCAQKATOSA-N	0	0	184.323	3.220	10	0		AGAERN
O=C1CCCCC[C@H]1c1ccsc1	83452740	573518731	/nfs/dbraw/zinc/51/87/31/573518731.db2.gz	PSBPYNJWHVRHFW-JTQLQIEISA-N	0	0	194.299	3.365	10	0		AGAERN
CC[C@@H](O)CCc1c(C)cccc1C	126343365	573518739	/nfs/dbraw/zinc/51/87/39/573518739.db2.gz	ZUNAERLLXVSERK-GFCCVEGCSA-N	0	0	192.302	3.007	10	0		AGAERN
C=C=C1CCCCCC[C@@H]1[C@H](C)O	238423911	573518866	/nfs/dbraw/zinc/51/88/66/573518866.db2.gz	GJZJFANOGBAWHN-CMPLNLGQSA-N	0	0	180.291	3.049	10	0		AGAERN
CC(F)(F)CC1CCCC1	258737538	573518970	/nfs/dbraw/zinc/51/89/70/573518970.db2.gz	JHNWVIULHMGHMA-UHFFFAOYSA-N	0	0	148.196	3.222	10	0		AGAERN
Cc1cccc(Nc2cccc(O)c2)c1	33608451	573523459	/nfs/dbraw/zinc/52/34/59/573523459.db2.gz	NNOAVNCSVAGCLY-UHFFFAOYSA-N	0	0	199.253	3.444	10	0		AGAERN
C[C@H]1C=Cc2ccccc2[C@@H](O)CC1	308612698	573523508	/nfs/dbraw/zinc/52/35/08/573523508.db2.gz	YYLYHEDSQVVROQ-GWCFXTLKSA-N	0	0	188.270	3.163	10	0		AGAERN
C[C@@H]1CC=CC[C@]12CCCCC2=O	238430234	573531446	/nfs/dbraw/zinc/53/14/46/573531446.db2.gz	SRWMXTQQCZHAJI-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
CSc1ccccc1OC1CCC1	238430038	573531482	/nfs/dbraw/zinc/53/14/82/573531482.db2.gz	VCTXTVDRKSYRIO-UHFFFAOYSA-N	0	0	194.299	3.340	10	0		AGAERN
CC[C@]1(C)Nc2ccc(O)cc2[C@@H]1C	258052275	573531525	/nfs/dbraw/zinc/53/15/25/573531525.db2.gz	FTOOTVWCLLNYQY-UFBFGSQYSA-N	0	0	191.274	3.090	10	0		AGAERN
Clc1ccc2c(c1)C1(CCN2)CC1	257828448	573531615	/nfs/dbraw/zinc/53/16/15/573531615.db2.gz	IIGGCSOYJOEDTF-UHFFFAOYSA-N	0	0	193.677	3.187	10	0		AGAERN
CCC[NH2+][C@@H](C(F)F)[C@@H](C)CCC	87689370	572680761	/nfs/dbraw/zinc/68/07/61/572680761.db2.gz	KAQJMSMKVGPCPW-DTWKUNHWSA-N	0	0	193.281	3.056	10	0		AGAERN
C/C=C/CSC(=S)OC(C)C	307868101	572680827	/nfs/dbraw/zinc/68/08/27/572680827.db2.gz	KFVUKTCVPOKMJL-SNAWJCMRSA-N	0	0	190.333	3.006	10	0		AGAERN
CC(C)[C@@H](C)C(=O)CC(C)(C)C	116455357	572700450	/nfs/dbraw/zinc/70/04/50/572700450.db2.gz	NLAADYXVZYKMIH-SECBINFHSA-N	0	0	170.296	3.284	10	0		AGAERN
CCC[C@@H](O)C(C)(C)C(C)(C)C	308095676	572700457	/nfs/dbraw/zinc/70/04/57/572700457.db2.gz	YCMOVBMVQDXFAD-SECBINFHSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCC[C@]1(O)CCCC[C@H]1C	83502665	573535789	/nfs/dbraw/zinc/53/57/89/573535789.db2.gz	AFSACNOVRUUHRN-MNOVXSKESA-N	0	0	170.296	3.118	10	0		AGAERN
CCCC[C@@]1(O)CCCC[C@H]1C	83502666	573531935	/nfs/dbraw/zinc/53/19/35/573531935.db2.gz	AFSACNOVRUUHRN-GHMZBOCLSA-N	0	0	170.296	3.118	10	0		AGAERN
CC[C@H](C)C[C@]1(O)CCCC[C@@H]1C	83502728	573535379	/nfs/dbraw/zinc/53/53/79/573535379.db2.gz	WRSOVHSRAHNCDM-SDDRHHMPSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)CC[C@]1(O)CCC[C@@H](C)C1	83502528	573535397	/nfs/dbraw/zinc/53/53/97/573535397.db2.gz	HRJLHIOWROTNEH-VXGBXAGGSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)CC[C@]1(O)CCCC[C@@H]1C	83502718	573535531	/nfs/dbraw/zinc/53/55/31/573535531.db2.gz	OXSRQFOFDCSVQP-NWDGAFQWSA-N	0	0	184.323	3.364	10	0		AGAERN
Nc1cocc1-c1ccc(Cl)cc1	258053815	573535572	/nfs/dbraw/zinc/53/55/72/573535572.db2.gz	FVBTZJFCZIXNEX-UHFFFAOYSA-N	0	0	193.633	3.182	10	0		AGAERN
CC(C)(C)Sc1cscn1	196866069	572701311	/nfs/dbraw/zinc/70/13/11/572701311.db2.gz	WCNJYAUIPKJVNK-UHFFFAOYSA-N	0	0	173.306	3.034	10	0		AGAERN
C=C/C=C/[C@H](C)[C@H](O)c1ccccc1	238437974	572720132	/nfs/dbraw/zinc/72/01/32/572720132.db2.gz	VPSCSNABRDCFPN-IRJIXIJJSA-N	0	0	188.270	3.098	10	0		AGAERN
C[C@H]1C[C@H](O)c2cccc3cccc1c23	238446018	572721640	/nfs/dbraw/zinc/72/16/40/572721640.db2.gz	QKOQHWWKEXABSE-ZANVPECISA-N	0	0	198.265	3.380	10	0		AGAERN
CC[C@@H](C)CC1(O)CCC(C)CC1	83502587	573535688	/nfs/dbraw/zinc/53/56/88/573535688.db2.gz	MMJFIDCRXGZHTF-VOMCLLRMSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1cccc(C)c1CCC[C@@H](C)O	126419895	573535731	/nfs/dbraw/zinc/53/57/31/573535731.db2.gz	HUVCLTGEYBSPHK-GFCCVEGCSA-N	0	0	192.302	3.007	10	0		AGAERN
CC[C@H](C)CC1(O)CCCCC1	83502450	573535755	/nfs/dbraw/zinc/53/57/55/573535755.db2.gz	FAGSYVNRTDSCCP-JTQLQIEISA-N	0	0	170.296	3.118	10	0		AGAERN
CC[C@H](C)C[C@]1(O)CCC[C@H](C)C1	83502539	573536201	/nfs/dbraw/zinc/53/62/01/573536201.db2.gz	ZACZEOMCIMVEJC-SDDRHHMPSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)=C[C@@H](C)c1ccccc1O	238434038	573536602	/nfs/dbraw/zinc/53/66/02/573536602.db2.gz	QIWPVHLWEKPGNC-SNVBAGLBSA-N	0	0	176.259	3.462	10	0		AGAERN
C[C@H]1CCCC[C@H](CCO)C1(C)C	238431133	573536643	/nfs/dbraw/zinc/53/66/43/573536643.db2.gz	FOKMQAVFSZLDRR-WDEREUQCSA-N	0	0	184.323	3.221	10	0		AGAERN
C[C@@H]1CCC=CCCCCC1=O	307902226	572747405	/nfs/dbraw/zinc/74/74/05/572747405.db2.gz	IEHIIMFWHTWLGO-SNVBAGLBSA-N	0	0	166.264	3.102	10	0		AGAERN
C[C@H]1C[C@H](C)CC[C@@]1(O)CCC1CC1	235334834	572747406	/nfs/dbraw/zinc/74/74/06/572747406.db2.gz	AIJCRAXZWGMTIE-NTZNESFSSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1=CC[C@H]([C@H](C)/C=C\CO)C1(C)C	308615942	573541780	/nfs/dbraw/zinc/54/17/80/573541780.db2.gz	AEQSCDVGVNEZQF-FNSKHJIESA-N	0	0	194.318	3.163	10	0		AGAERN
CC1=C[C@H](C)[C@]2(CCC[C@@]2(C)O)CC1	39112431	573545661	/nfs/dbraw/zinc/54/56/61/573545661.db2.gz	SKKHYMJJTMOMNK-XQQFMLRXSA-N	0	0	194.318	3.284	10	0		AGAERN
CC/C=C\CC[C@@H](O)c1ccccc1	308619221	573545934	/nfs/dbraw/zinc/54/59/34/573545934.db2.gz	CYUJRJAYHYHLQX-DHCBQETCSA-N	0	0	190.286	3.466	10	0		AGAERN
CC[C@@H]1CCCC[C@H]1C1=C[C@H](O)CC1	83548715	573546134	/nfs/dbraw/zinc/54/61/34/573546134.db2.gz	FDPZCWANEVVKFW-RAIGVLPGSA-N	0	0	194.318	3.284	10	0		AGAERN
CC(C)CCCC(=O)C(C)(C)F	308115697	572760410	/nfs/dbraw/zinc/76/04/10/572760410.db2.gz	MLCJKEMRRJFDRW-UHFFFAOYSA-N	0	0	174.259	3.130	10	0		AGAERN
C[C@H]1C[C@@H](C2=C[C@H](O)CC2)CC[C@H]1C	83548654	573549297	/nfs/dbraw/zinc/54/92/97/573549297.db2.gz	FHTDOEFKPNHBPJ-MPPDQPJWSA-N	0	0	194.318	3.140	10	0		AGAERN
C=C/C(C)=C\C[C@@H](O)c1ccccc1	238475636	573549502	/nfs/dbraw/zinc/54/95/02/573549502.db2.gz	HQVPFTDGNGRKSR-PRWOLLLXSA-N	0	0	188.270	3.242	10	0		AGAERN
C[C@@H](O)[C@@H]1CCC2=C(CCCC2)C1	238438877	573557083	/nfs/dbraw/zinc/55/70/83/573557083.db2.gz	HIHAGYKXHPFJQI-MWLCHTKSSA-N	0	0	180.291	3.038	10	0		AGAERN
Cc1ccc([C@H](C)n2cccc2)cc1	49559880	572777748	/nfs/dbraw/zinc/77/77/48/572777748.db2.gz	PMACOFVOJXHYSX-LBPRGKRZSA-N	0	0	185.270	3.406	10	0		AGAERN
CCC/C=C(\CCC)[C@H](O)CC	307929388	572777817	/nfs/dbraw/zinc/77/78/17/572777817.db2.gz	AHDCIHWUCORUHX-PBQZMEPESA-N	0	0	170.296	3.284	10	0		AGAERN
O[C@H](c1ccc(C(F)F)cc1)C1CC1	124633484	573559916	/nfs/dbraw/zinc/55/99/16/573559916.db2.gz	UMJITRYOJJDMIU-JTQLQIEISA-N	0	0	198.212	3.068	10	0		AGAERN
Cc1cccc2c1[nH]c1cc(O)ccc12	238533891	572787096	/nfs/dbraw/zinc/78/70/96/572787096.db2.gz	QFBQDMAPAZYAHU-UHFFFAOYSA-N	0	0	197.237	3.335	10	0		AGAERN
CCCC/C=C\c1ccccc1CO	308623365	573561243	/nfs/dbraw/zinc/56/12/43/573561243.db2.gz	HYFACSUIURCAIU-YVMONPNESA-N	0	0	190.286	3.382	10	0		AGAERN
C=C/C=C\CCC(C)(C)C[C@H](C)O	713756603	572795410	/nfs/dbraw/zinc/79/54/10/572795410.db2.gz	BRLPMFHZNUTGHM-ZADCQDASSA-N	0	0	182.307	3.306	10	0		AGAERN
CCC1=CC[C@@H]2C(=O)CCC[C@@H]2C1	224300384	573561266	/nfs/dbraw/zinc/56/12/66/573561266.db2.gz	QHWYTFFHAHGPED-MNOVXSKESA-N	0	0	178.275	3.102	10	0		AGAERN
C/C=C\[C@H](O)C[C@H]1CC=C(C)C1(C)C	308621464	573561332	/nfs/dbraw/zinc/56/13/32/573561332.db2.gz	GBTGPGIEVJVIAI-DUVUQDDDSA-N	0	0	194.318	3.306	10	0		AGAERN
c1csc(NC2CCSCC2)c1	75125257	572827879	/nfs/dbraw/zinc/82/78/79/572827879.db2.gz	KIPTXSCYFOFLQF-UHFFFAOYSA-N	0	0	199.344	3.056	10	0		AGAERN
Nc1cc2c3c4c1CC[C@H]4CC[C@H]3CC2	238572831	572828738	/nfs/dbraw/zinc/82/87/38/572828738.db2.gz	IIIKYJXNQLGUDY-DTWKUNHWSA-N	0	0	199.297	3.122	10	0		AGAERN
c1csc(N[C@H]2CCCSC2)c1	75125263	572828752	/nfs/dbraw/zinc/82/87/52/572828752.db2.gz	WIXJJVFVPRTFAF-QMMMGPOBSA-N	0	0	199.344	3.056	10	0		AGAERN
CC(C)[C@@H]1Cc2ccc(Cl)cc2N1	71484671	572828764	/nfs/dbraw/zinc/82/87/64/572828764.db2.gz	KRIKUEJCMZWPCC-JTQLQIEISA-N	0	0	195.693	3.333	10	0		AGAERN
O[C@H](CC/C=C/Cl)c1ccccc1	236543151	572828768	/nfs/dbraw/zinc/82/87/68/572828768.db2.gz	WNPVAJAZRKHPOM-FZPLPXEFSA-N	0	0	196.677	3.253	10	0		AGAERN
C/C(=C/c1ccc(C)cc1)CCCO	118418270	572835799	/nfs/dbraw/zinc/83/57/99/572835799.db2.gz	DASZGCQYZMGSCF-BENRWUELSA-N	0	0	190.286	3.171	10	0		AGAERN
CC/C=C/[C@@H](C)Cc1ccccn1	714561239	572835839	/nfs/dbraw/zinc/83/58/39/572835839.db2.gz	XVOHXXSLGXUFBH-TZOMUSMUSA-N	0	0	175.275	3.226	10	0		AGAERN
CC/C=C(\C)[C@H](O)C[C@H](C)C(C)C	167831634	572839548	/nfs/dbraw/zinc/83/95/48/572839548.db2.gz	OHWMJCFOAPTNNB-GJKHTVIGSA-N	0	0	184.323	3.386	10	0		AGAERN
Oc1cccc2c(NC3CC3)cccc12	236578948	572839692	/nfs/dbraw/zinc/83/96/92/572839692.db2.gz	VZOHDWPSTDEWKC-UHFFFAOYSA-N	0	0	199.253	3.120	10	0		AGAERN
C[C@@H](c1ccc(N)cc1)C(C)(C)C	238439991	573561828	/nfs/dbraw/zinc/56/18/28/573561828.db2.gz	FNCYNYXOTINTMO-VIFPVBQESA-N	0	0	177.291	3.418	10	0		AGAERN
CC[C@@H](O)[C@H](C)/C=C\c1ccccc1	308622853	573562810	/nfs/dbraw/zinc/56/28/10/573562810.db2.gz	HIRITCAWSLZACL-JNEOLCFQSA-N	0	0	190.286	3.107	10	0		AGAERN
Cc1cc2oc(C)cc2c(Cl)n1	145146229	573562811	/nfs/dbraw/zinc/56/28/11/573562811.db2.gz	FZMYXHJGQXQIJP-UHFFFAOYSA-N	0	0	181.622	3.098	10	0		AGAERN
C/C=C\[C@@H](O)C1=C(C)CCC1(C)C	308150737	572843876	/nfs/dbraw/zinc/84/38/76/572843876.db2.gz	HNHZBCOYPYGOTE-WWQCOOJYSA-N	0	0	180.291	3.060	10	0		AGAERN
CC/C=C\[C@H](O)/C=C\CCCCC	308151011	572844161	/nfs/dbraw/zinc/84/41/61/572844161.db2.gz	HYLHTAYPQWJEGE-NGSKPFPKSA-N	0	0	182.307	3.450	10	0		AGAERN
CC[C@@H](O)[C@H](C)/C=C/c1ccccc1	308622854	573562941	/nfs/dbraw/zinc/56/29/41/573562941.db2.gz	HIRITCAWSLZACL-SEDDIGHHSA-N	0	0	190.286	3.107	10	0		AGAERN
CC[C@@H](/C=C/C1CCCCC1)CO	308149163	572844702	/nfs/dbraw/zinc/84/47/02/572844702.db2.gz	FRYUCRAXTJZXIM-FBOQAHMBSA-N	0	0	182.307	3.141	10	0		AGAERN
CC[C@H](C)C(=O)Cc1csc(C)c1	308149614	572844850	/nfs/dbraw/zinc/84/48/50/572844850.db2.gz	QBTXBKLVZYJHDM-QMMMGPOBSA-N	0	0	196.315	3.214	10	0		AGAERN
C/C=C\[C@@H](O)[C@@H](C)/C=C(C)/C=C/C	308150491	572844863	/nfs/dbraw/zinc/84/48/63/572844863.db2.gz	GWROKAVQVKRDEH-JHZCGZCRSA-N	0	0	180.291	3.082	10	0		AGAERN
Oc1cccc(Cc2cccs2)c1	75579919	572872518	/nfs/dbraw/zinc/87/25/18/572872518.db2.gz	OCUOKPJPVTVDKE-UHFFFAOYSA-N	0	0	190.267	3.045	10	0		AGAERN
CC[C@H]1CCNc2c(OC)cccc21	257831614	573563725	/nfs/dbraw/zinc/56/37/25/573563725.db2.gz	JNAAHVYPUXWUNA-VIFPVBQESA-N	0	0	191.274	3.004	10	0		AGAERN
CC(C)C[C@H](O)[C@@H](C)C(C)(C)C	307967600	572867401	/nfs/dbraw/zinc/86/74/01/572867401.db2.gz	SVVBKOXCEIQIAZ-ZJUUUORDSA-N	0	0	172.312	3.076	10	0		AGAERN
CCc1oc2cc(O)ccc2c1C	75566380	572867487	/nfs/dbraw/zinc/86/74/87/572867487.db2.gz	GYAZFSDNITYDCR-UHFFFAOYSA-N	0	0	176.215	3.009	10	0		AGAERN
C/C=C/[C@@H](C)C[C@@H](O)c1ccccc1	308622787	573565287	/nfs/dbraw/zinc/56/52/87/573565287.db2.gz	GXQJLLXBWRJFCF-OMCWZWAOSA-N	0	0	190.286	3.322	10	0		AGAERN
CCOC(=O)/C(CC)=C1/CCC1(C)C	714363655	572871427	/nfs/dbraw/zinc/87/14/27/572871427.db2.gz	AATHALJDEBNXIJ-KTKRTIGZSA-N	0	0	196.290	3.076	10	0		AGAERN
C[C@H]1C=CO[C@H](c2ccccc2O)C1	75579720	572872495	/nfs/dbraw/zinc/87/24/95/572872495.db2.gz	DIARIKXAPBLVRU-CABZTGNLSA-N	0	0	190.242	3.003	10	0		AGAERN
CC(=O)c1oc(C)cc1-c1ccco1	75589086	572892216	/nfs/dbraw/zinc/89/22/16/572892216.db2.gz	ZSCXFPXBRWRGHT-UHFFFAOYSA-N	0	0	190.198	3.051	10	0		AGAERN
C/C=C(\CO)C/C=C/CCCCC	308170027	572890087	/nfs/dbraw/zinc/89/00/87/572890087.db2.gz	UOYPTURECMVFNL-LMCCRMSASA-N	0	0	182.307	3.452	10	0		AGAERN
CCCCC/C=C\C[C@H](O)CC	307977990	572890107	/nfs/dbraw/zinc/89/01/07/572890107.db2.gz	KGABEDPEKKTFDS-TYBABMIJSA-N	0	0	170.296	3.284	10	0		AGAERN
CCCN(C)c1ccccc1CC	308170375	572890206	/nfs/dbraw/zinc/89/02/06/572890206.db2.gz	BCXVMNRJDZNBCF-UHFFFAOYSA-N	0	0	177.291	3.095	10	0		AGAERN
C/C=C/[C@H](O)C/C=C\c1ccccc1	308624878	573569658	/nfs/dbraw/zinc/56/96/58/573569658.db2.gz	JVJLJVZQRHINDT-ROZYNCPWSA-N	0	0	188.270	3.027	10	0		AGAERN
C[C@H]1C(=O)CCC[C@@]12C=CCCC2	238433476	573569680	/nfs/dbraw/zinc/56/96/80/573569680.db2.gz	IAPBMZGJVOVUED-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
O=Cc1sc2ccoc2c1C1CC1	75426818	573569693	/nfs/dbraw/zinc/56/96/93/573569693.db2.gz	HEXJZUVSSZZUMP-UHFFFAOYSA-N	0	0	192.239	3.184	10	0		AGAERN
CCCCSc1c(N)cccc1F	308180250	572903662	/nfs/dbraw/zinc/90/36/62/572903662.db2.gz	CFXPQTADGYVNLK-UHFFFAOYSA-N	0	0	199.294	3.300	10	0		AGAERN
CC(C)c1ccc(N(C)C)c(F)c1	75838864	572903707	/nfs/dbraw/zinc/90/37/07/572903707.db2.gz	HQWYOYOAOHEXIS-UHFFFAOYSA-N	0	0	181.254	3.015	10	0		AGAERN
COc1c(C(C)C)ccc(C)c1C	75838793	572903713	/nfs/dbraw/zinc/90/37/13/572903713.db2.gz	IYTMFPMZYHZRDP-UHFFFAOYSA-N	0	0	178.275	3.435	10	0		AGAERN
CC(C)c1c(F)ccc(F)c1F	75838825	572903721	/nfs/dbraw/zinc/90/37/21/572903721.db2.gz	ZVNKOVZHXZWYAK-UHFFFAOYSA-N	0	0	174.165	3.227	10	0		AGAERN
CC(C)c1ccc(N(C)C)cc1F	75838866	572903736	/nfs/dbraw/zinc/90/37/36/572903736.db2.gz	NJKXXYDRWCRBKQ-UHFFFAOYSA-N	0	0	181.254	3.015	10	0		AGAERN
CC(C)n1nccc1C1CCCC1	75840963	572903749	/nfs/dbraw/zinc/90/37/49/572903749.db2.gz	UDSRBNDGYMIWEB-UHFFFAOYSA-N	0	0	178.279	3.122	10	0		AGAERN
CC(C)c1c(F)cccc1N(C)C	75838830	572903771	/nfs/dbraw/zinc/90/37/71/572903771.db2.gz	GNXZLNBZQXFVHL-UHFFFAOYSA-N	0	0	181.254	3.015	10	0		AGAERN
Cc1nn(C)c(C)c1C1CCCCC1	75841151	572903805	/nfs/dbraw/zinc/90/38/05/572903805.db2.gz	GLXVUZDHPIZGOR-UHFFFAOYSA-N	0	0	192.306	3.085	10	0		AGAERN
C[C@H](c1ccccc1)c1nccs1	75841702	572903844	/nfs/dbraw/zinc/90/38/44/572903844.db2.gz	CFBZUKBTPPODAF-SECBINFHSA-N	0	0	189.283	3.295	10	0		AGAERN
CC(C)c1c(F)cc(F)cc1F	75838822	572903887	/nfs/dbraw/zinc/90/38/87/572903887.db2.gz	VZYSSMXFNARVIU-UHFFFAOYSA-N	0	0	174.165	3.227	10	0		AGAERN
C[C@@H](O)[C@@H]1CCCC2=C1CCCC2	238433559	573569784	/nfs/dbraw/zinc/56/97/84/573569784.db2.gz	OWSCBMSOPIIACR-KOLCDFICSA-N	0	0	180.291	3.038	10	0		AGAERN
C[C@@H]1C[C@@H]1C(=O)CC1=CCCCC1	238433608	573573111	/nfs/dbraw/zinc/57/31/11/573573111.db2.gz	FCHBQFJCFDSMJG-KOLCDFICSA-N	0	0	178.275	3.102	10	0		AGAERN
CCC[C@](O)(CCC(C)C)C1CC1	308188279	572917118	/nfs/dbraw/zinc/91/71/18/572917118.db2.gz	LKPURWKDOPUFEA-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@H](CO)c1ccccc1C	86337136	572917144	/nfs/dbraw/zinc/91/71/44/572917144.db2.gz	WAMHCVVAALHPSW-GFCCVEGCSA-N	0	0	192.302	3.261	10	0		AGAERN
C1=C[C@H]2CCc3cccc4[nH]c(c2c34)C1	237991763	572917174	/nfs/dbraw/zinc/91/71/74/572917174.db2.gz	XYDSLBKLOJBICC-JTQLQIEISA-N	0	0	195.265	3.310	10	0		AGAERN
C[C@H](O)/C=C/[C@@H]1C[C@@H](C)CC(C)(C)C1	238433248	573573224	/nfs/dbraw/zinc/57/32/24/573573224.db2.gz	XAVYBKUQAROJMC-NIJZVALHSA-N	0	0	196.334	3.386	10	0		AGAERN
CC(C)C[C@@H](C)C(=O)CC1CCC1	308195274	572937863	/nfs/dbraw/zinc/93/78/63/572937863.db2.gz	QPOPKQWVDYNMKA-SNVBAGLBSA-N	0	0	182.307	3.428	10	0		AGAERN
CCCCCCC(C)(C)CCO	116791924	572926068	/nfs/dbraw/zinc/92/60/68/572926068.db2.gz	DRLNMYRSFDNXSO-UHFFFAOYSA-N	0	0	172.312	3.365	10	0		AGAERN
CC[C@@H](C)Nc1ccc(Cl)c(N)c1	86687366	573574874	/nfs/dbraw/zinc/57/48/74/573574874.db2.gz	PSNITKRGOUVBFZ-SSDOTTSWSA-N	0	0	198.697	3.133	10	0		AGAERN
CCC[C@@H](C)Sc1cc[nH]c(=O)c1	308202950	572931094	/nfs/dbraw/zinc/93/10/94/572931094.db2.gz	QZXATQKQSNYAIE-MRVPVSSYSA-N	0	0	197.303	3.068	10	0		AGAERN
CC[C@@H]1CCC(=O)[C@H](CCCF)C1	88025995	572933367	/nfs/dbraw/zinc/93/33/67/572933367.db2.gz	AVNXBYLCBGCVGM-NXEZZACHSA-N	0	0	186.270	3.132	10	0		AGAERN
CCC/C=C/C=C/C=C/[C@H](O)CC	308203941	572933396	/nfs/dbraw/zinc/93/33/96/572933396.db2.gz	GOPOSYACGMOYHJ-SOGDHNJCSA-N	0	0	180.291	3.226	10	0		AGAERN
CCc1cc(C)c(C)c(O)c1CC	145290245	573576915	/nfs/dbraw/zinc/57/69/15/573576915.db2.gz	SBCOWVSNAJLWIO-UHFFFAOYSA-N	0	0	178.275	3.134	10	0		AGAERN
CC[C@@H](C)Nc1cc(N)ccc1Cl	86688115	573576782	/nfs/dbraw/zinc/57/67/82/573576782.db2.gz	VQANHEHTWRDLNW-SSDOTTSWSA-N	0	0	198.697	3.133	10	0		AGAERN
C/C=C/[C@H](O)C/C=C/C[Si](C)(C)C	308210252	572941452	/nfs/dbraw/zinc/94/14/52/572941452.db2.gz	WAWMUBIBUHRGAO-PFBZZWATSA-N	0	0	198.382	3.208	10	0		AGAERN
CC(C)(C)c1nc[nH]c1C(C)(C)C	144460063	573576839	/nfs/dbraw/zinc/57/68/39/573576839.db2.gz	DGCPANQDUOXNJR-UHFFFAOYSA-N	0	0	180.295	3.005	10	0		AGAERN
CC(C)[C@@H]1c2ccccc2C(=O)[C@H]1C	86718016	573585469	/nfs/dbraw/zinc/58/54/69/573585469.db2.gz	XMRLHGYJJRSNTF-CABZTGNLSA-N	0	0	188.270	3.259	10	0		AGAERN
Cc1ccccc1CC(C)(F)F	258800928	573585734	/nfs/dbraw/zinc/58/57/34/573585734.db2.gz	NICAVXDUGSLEOX-UHFFFAOYSA-N	0	0	170.202	3.193	10	0		AGAERN
CC(=C=CCCCO)C1=CCCCC1	238164284	572960766	/nfs/dbraw/zinc/96/07/66/572960766.db2.gz	NYVHRXHVOREAOA-UHFFFAOYSA-N	0	0	192.302	3.361	10	0		AGAERN
CC(C)=Cc1ccc2cccnc2c1O	238175006	572968036	/nfs/dbraw/zinc/96/80/36/572968036.db2.gz	KSJNYDASOCCNLH-UHFFFAOYSA-N	0	0	199.253	3.364	10	0		AGAERN
C=C/C=C\CC[C@@H](O)CCC1CC1	713654796	572968124	/nfs/dbraw/zinc/96/81/24/572968124.db2.gz	UDACBIWUPLMWAL-VSQXVHSFSA-N	0	0	180.291	3.060	10	0		AGAERN
CC1=CCc2cccn2-c2ccccc21	238175254	572968572	/nfs/dbraw/zinc/96/85/72/572968572.db2.gz	FCDDIESOSDRCNV-UHFFFAOYSA-N	0	0	195.265	3.437	10	0		AGAERN
O=Cc1ccc(/C=C\c2ccccc2)o1	199848848	572969754	/nfs/dbraw/zinc/96/97/54/572969754.db2.gz	WTFBGRSWGCIQBA-SREVYHEPSA-N	0	0	198.221	3.263	10	0		AGAERN
CC/C(C)=C/C=C(\Cl)C[C@H](C)O	238179802	572970223	/nfs/dbraw/zinc/97/02/23/572970223.db2.gz	LMORKXVEUTXHNJ-XMMFBCRPSA-N	0	0	188.698	3.236	10	0		AGAERN
CCCC(=O)[C@@H]1C[C@@H](C)C[C@@H]1C	238241955	572999004	/nfs/dbraw/zinc/99/90/04/572999004.db2.gz	UJKRRTCISYXPQM-LPEHRKFASA-N	0	0	168.280	3.038	10	0		AGAERN
CCCCCC1=C(C)C[C@H](C)[C@H]1O	238189158	572977017	/nfs/dbraw/zinc/97/70/17/572977017.db2.gz	MYOJWUXIEMPSJG-CMPLNLGQSA-N	0	0	182.307	3.284	10	0		AGAERN
CCc1cc(Cl)nc([C@H](C)CC)n1	51690409	572977022	/nfs/dbraw/zinc/97/70/22/572977022.db2.gz	YNZNXLXBHCKFLT-SSDOTTSWSA-N	0	0	198.697	3.206	10	0		AGAERN
CCCCCC1Nc2ccccc2N1	238191357	572977027	/nfs/dbraw/zinc/97/70/27/572977027.db2.gz	GBDUAKOOOINHNY-UHFFFAOYSA-N	0	0	190.290	3.430	10	0		AGAERN
CCC(C)(C)[C@@H](C)[C@@H](C)C(C)=O	238189106	572977030	/nfs/dbraw/zinc/97/70/30/572977030.db2.gz	WPOOWUGHXUVTCB-BDAKNGLRSA-N	0	0	170.296	3.284	10	0		AGAERN
CCCC/C=C(/CO)C(C)(C)C	238189748	572977038	/nfs/dbraw/zinc/97/70/38/572977038.db2.gz	SWZXYNYHMVOKPS-NTMALXAHSA-N	0	0	170.296	3.141	10	0		AGAERN
CCCC/C=C(/C)C[C@@H](O)CC	238189258	572977049	/nfs/dbraw/zinc/97/70/49/572977049.db2.gz	UJACTXFVWKTFGY-IEHMKBBKSA-N	0	0	170.296	3.284	10	0		AGAERN
CCc1ccc(C(C)(C)O)cc1CC	258211914	572998677	/nfs/dbraw/zinc/99/86/77/572998677.db2.gz	ZMGRCAYVQWRSPT-UHFFFAOYSA-N	0	0	192.302	3.039	10	0		AGAERN
CC[C@@H]1c2ccc(C)cc2C(=O)[C@H]1C	86717953	573587130	/nfs/dbraw/zinc/58/71/30/573587130.db2.gz	GWYVIVMAEFXPJA-UWVGGRQHSA-N	0	0	188.270	3.321	10	0		AGAERN
C(CSCc1ccno1)=C1CCC1	308217834	572999935	/nfs/dbraw/zinc/99/99/35/572999935.db2.gz	AYBPJSHGTSTNNY-UHFFFAOYSA-N	0	0	195.287	3.018	10	0		AGAERN
OSc1ccc2c(c1)CCCC2	259302750	573000048	/nfs/dbraw/zinc/00/00/48/573000048.db2.gz	ULZJJGSLTDVKGS-UHFFFAOYSA-N	0	0	180.272	3.131	10	0		AGAERN
CC/C=C/C(=O)O[C@H](C)CCCC	308222298	573010263	/nfs/dbraw/zinc/01/02/63/573010263.db2.gz	LTISJHQXCUQDRU-TTZKWOQHSA-N	0	0	184.279	3.075	10	0		AGAERN
Cc1cc(Cl)c2oc(C=O)cc2c1	82386947	573014177	/nfs/dbraw/zinc/01/41/77/573014177.db2.gz	MJAKTLZHIQGRAX-UHFFFAOYSA-N	0	0	194.617	3.207	10	0		AGAERN
CC1(Oc2cccc(O)c2)CCCC1	259594990	573014284	/nfs/dbraw/zinc/01/42/84/573014284.db2.gz	PQYWDNVDQVHUSP-UHFFFAOYSA-N	0	0	192.258	3.104	10	0		AGAERN
CCc1c(N)ccc2ccc(C)cc12	258223716	573014636	/nfs/dbraw/zinc/01/46/36/573014636.db2.gz	OVGTXLGNXOGQFH-UHFFFAOYSA-N	0	0	185.270	3.293	10	0		AGAERN
CC[C@@H]1c2ccc(F)cc2[C@H](O)[C@@H]1C	86721970	573588210	/nfs/dbraw/zinc/58/82/10/573588210.db2.gz	ZCRDPPWMFKHIMX-VFWDIBGWSA-N	0	0	194.249	3.002	10	0		AGAERN
Cc1cc(C)c2c(c1)C(=O)[C@H](C)[C@H]2C	86718197	573588217	/nfs/dbraw/zinc/58/82/17/573588217.db2.gz	WRDJFXYCAFXCCM-NXEZZACHSA-N	0	0	188.270	3.239	10	0		AGAERN
C[C@H]1CCc2ccccc2C(=O)[C@@H]1C	86718126	573588301	/nfs/dbraw/zinc/58/83/01/573588301.db2.gz	MOKYRJWDJBPUCS-VHSXEESVSA-N	0	0	188.270	3.088	10	0		AGAERN
CCC[C@@H]1c2ccccc2[C@@H](O)[C@@H]1C	86721667	573591354	/nfs/dbraw/zinc/59/13/54/573591354.db2.gz	IIDDJDVWQGXORB-NRUUGDAUSA-N	0	0	190.286	3.253	10	0		AGAERN
CC[C@H]1CCCc2cc(C=O)ccc21	113684470	573023642	/nfs/dbraw/zinc/02/36/42/573023642.db2.gz	HIOBTTOWRJZBKD-NSHDSACASA-N	0	0	188.270	3.329	10	0		AGAERN
CC(C)CCC[C@]1(O)CCC[C@H]2C[C@H]21	308483356	573023687	/nfs/dbraw/zinc/02/36/87/573023687.db2.gz	NUVVQQJCZMGYCE-XQQFMLRXSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)n1c(C2CCC2)cnc1Cl	258526602	573027664	/nfs/dbraw/zinc/02/76/64/573027664.db2.gz	MESWTZAXQLDNBX-UHFFFAOYSA-N	0	0	198.697	3.385	10	0		AGAERN
C[C@@H]1CC(C)(C)Nc2ccccc2N1	113685703	573025033	/nfs/dbraw/zinc/02/50/33/573025033.db2.gz	PYDAWVBZCVMXFL-SECBINFHSA-N	0	0	190.290	3.081	10	0		AGAERN
CC1(C[C@](C)(CO)C2CC2)CCCC1	308640560	573591471	/nfs/dbraw/zinc/59/14/71/573591471.db2.gz	CWOBSEDZLRTLHU-CYBMUJFWSA-N	0	0	196.334	3.365	10	0		AGAERN
CC(C)C[C@H](C)[C@@H](O)[C@@H]1[C@H]2CCC[C@H]21	308479003	573027190	/nfs/dbraw/zinc/02/71/90/573027190.db2.gz	MBPKDBLCTUSEDE-KIJLLGNVSA-N	0	0	196.334	3.076	10	0		AGAERN
CCCC(C)(C)[C@@H]1CCCC[C@@H]1O	238248422	573028358	/nfs/dbraw/zinc/02/83/58/573028358.db2.gz	RENUEUBPXKJGNQ-MNOVXSKESA-N	0	0	184.323	3.364	10	0		AGAERN
CC1(C)NC(=O)SC2=C1CCCC2	238256774	573028497	/nfs/dbraw/zinc/02/84/97/573028497.db2.gz	FCHVRZDWILYWQI-UHFFFAOYSA-N	0	0	197.303	3.050	10	0		AGAERN
CC(C)C(C(C)C)[C@H](O)c1ccco1	308478962	573028582	/nfs/dbraw/zinc/02/85/82/573028582.db2.gz	LZUMPPCFLIUOKK-GFCCVEGCSA-N	0	0	196.290	3.241	10	0		AGAERN
CC(C)C[C@H](C)[C@H](O)[C@@H]1[C@H]2CCC[C@H]21	308479005	573028614	/nfs/dbraw/zinc/02/86/14/573028614.db2.gz	MBPKDBLCTUSEDE-YYHQMBLXSA-N	0	0	196.334	3.076	10	0		AGAERN
Cc1csc(-c2ccccc2N)c1	113736423	573028695	/nfs/dbraw/zinc/02/86/95/573028695.db2.gz	DXAHXFWUQXKOHJ-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
CC(C)C[C@H](C)C(O)(C1CC1)C1CC1	308478368	573028909	/nfs/dbraw/zinc/02/89/09/573028909.db2.gz	LVCXPDODWLKTCJ-JTQLQIEISA-N	0	0	196.334	3.220	10	0		AGAERN
CC(C)C[C@@H](C)C(O)(C1CC1)C1CC1	308478369	573029009	/nfs/dbraw/zinc/02/90/09/573029009.db2.gz	LVCXPDODWLKTCJ-SNVBAGLBSA-N	0	0	196.334	3.220	10	0		AGAERN
CC1CCC(C(=O)c2cc[nH]c2)CC1	123462983	573030098	/nfs/dbraw/zinc/03/00/98/573030098.db2.gz	CCXSFPBWMQZSOD-UHFFFAOYSA-N	0	0	191.274	3.024	10	0		AGAERN
CCCCC[C@@H]1C[C@@]1(C)[C@@H](O)CC	308230486	573030340	/nfs/dbraw/zinc/03/03/40/573030340.db2.gz	SNLRKRHAXHWARV-GRYCIOLGSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCCC[C@@H]1C[C@]1(C)[C@@H](O)CC	308230493	573030393	/nfs/dbraw/zinc/03/03/93/573030393.db2.gz	SNLRKRHAXHWARV-WOPDTQHZSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCCC[C@@H]1C[C@@]1(C)[C@H](O)CC	308230488	573030429	/nfs/dbraw/zinc/03/04/29/573030429.db2.gz	SNLRKRHAXHWARV-IJLUTSLNSA-N	0	0	184.323	3.364	10	0		AGAERN
CC1=C([C@@]2(C)CCCC2=O)CCC1	238249581	573036889	/nfs/dbraw/zinc/03/68/89/573036889.db2.gz	VVSRKANLMZNXOV-GFCCVEGCSA-N	0	0	178.275	3.246	10	0		AGAERN
CC1(C)C[C@H]1c1c(N)cccc1Cl	238250398	573038077	/nfs/dbraw/zinc/03/80/77/573038077.db2.gz	IFPXJPDFFADJNF-ZETCQYMHSA-N	0	0	195.693	3.436	10	0		AGAERN
COc1ccc2oc(C)c(C)c2c1	113830084	573038081	/nfs/dbraw/zinc/03/80/81/573038081.db2.gz	IBNUVFLKTYDMLJ-UHFFFAOYSA-N	0	0	176.215	3.058	10	0		AGAERN
CCC[C@H](C)c1cc(F)ccc1O	238260368	573051792	/nfs/dbraw/zinc/05/17/92/573051792.db2.gz	QNIHPEXRXJBEEW-QMMMGPOBSA-N	0	0	182.238	3.435	10	0		AGAERN
C=COc1ccc(C)cc1Cl	85503663	573051827	/nfs/dbraw/zinc/05/18/27/573051827.db2.gz	CAALKJZIWUVGKF-UHFFFAOYSA-N	0	0	168.623	3.171	10	0		AGAERN
CC[C@@H]1Cc2c(O)cccc2[C@@H]1C	238273933	573051828	/nfs/dbraw/zinc/05/18/28/573051828.db2.gz	DBHYDABFODGOLD-RKDXNWHRSA-N	0	0	176.259	3.078	10	0		AGAERN
C=COc1cccc(C(F)(F)F)c1	85503397	573051897	/nfs/dbraw/zinc/05/18/97/573051897.db2.gz	AZQMLSNFNGASAJ-UHFFFAOYSA-N	0	0	188.148	3.228	10	0		AGAERN
Cc1cc(C)c([C@H](O)C2CCC2)s1	88048038	573051899	/nfs/dbraw/zinc/05/18/99/573051899.db2.gz	HBYIWCUJXRDKPU-SNVBAGLBSA-N	0	0	196.315	3.198	10	0		AGAERN
C=COc1cc(C)c(Cl)c(C)c1	85503485	573051906	/nfs/dbraw/zinc/05/19/06/573051906.db2.gz	WILVRTRCJWNCAK-UHFFFAOYSA-N	0	0	182.650	3.479	10	0		AGAERN
OCc1ccccc1C1CCCCC1	113914808	573047607	/nfs/dbraw/zinc/04/76/07/573047607.db2.gz	NVGOLMFTLZIXJM-UHFFFAOYSA-N	0	0	190.286	3.227	10	0		AGAERN
Cc1cc(C)c(C(=O)CC2CC2)s1	88047238	573050862	/nfs/dbraw/zinc/05/08/62/573050862.db2.gz	OUDSXXVHXKMQRE-UHFFFAOYSA-N	0	0	194.299	3.348	10	0		AGAERN
CC(C)(O)c1cccc2ccsc12	88038010	573051045	/nfs/dbraw/zinc/05/10/45/573051045.db2.gz	PAPDMMXACJMXTQ-UHFFFAOYSA-N	0	0	192.283	3.129	10	0		AGAERN
Cc1cc(C)c(C(=O)[C@H]2C[C@@H]2C)s1	88047271	573051090	/nfs/dbraw/zinc/05/10/90/573051090.db2.gz	FHQVXJIDUZDFCY-RCOVLWMOSA-N	0	0	194.299	3.204	10	0		AGAERN
Cc1cc(C)c(C(=O)[C@H]2C[C@H]2C)s1	88047273	573051300	/nfs/dbraw/zinc/05/13/00/573051300.db2.gz	FHQVXJIDUZDFCY-MUWHJKNJSA-N	0	0	194.299	3.204	10	0		AGAERN
CCC(=O)C/C=C/c1ccc(F)cc1	308238106	573051495	/nfs/dbraw/zinc/05/14/95/573051495.db2.gz	IPOUGPFVEYEUQP-ONEGZZNKSA-N	0	0	192.233	3.208	10	0		AGAERN
Cc1cc(C)c([C@@H](O)C(C)C)s1	88047973	573051767	/nfs/dbraw/zinc/05/17/67/573051767.db2.gz	BYJOBEDVGMJFFW-VIFPVBQESA-N	0	0	184.304	3.054	10	0		AGAERN
CCC[C@@H]1C[C@@H]1c1cscc1N	238274870	573058415	/nfs/dbraw/zinc/05/84/15/573058415.db2.gz	AJTVGESESLASSL-SFYZADRCSA-N	0	0	181.304	3.234	10	0		AGAERN
CC1=CC[C@@]2(C)CCC(=O)[C@H]2CC1	238259868	573055278	/nfs/dbraw/zinc/05/52/78/573055278.db2.gz	FGKCLDNPKCXGJU-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
CCC(C)(C)Oc1cccc(Cl)n1	82460625	573057896	/nfs/dbraw/zinc/05/78/96/573057896.db2.gz	WKKBULBEQJUXRG-UHFFFAOYSA-N	0	0	199.681	3.302	10	0		AGAERN
CC[C@]1(C)C(=O)[C@@H](C)CC[C@@H]1C	238274311	573057945	/nfs/dbraw/zinc/05/79/45/573057945.db2.gz	SXKNOPSXMGMWQG-QXEWZRGKSA-N	0	0	168.280	3.038	10	0		AGAERN
CC1CCC([C@@H](O)C2=CCCC2)CC1	123540852	573057979	/nfs/dbraw/zinc/05/79/79/573057979.db2.gz	WHMWIDPIBBFRLX-GDKBPFBDSA-N	0	0	194.318	3.284	10	0		AGAERN
CC[C@@H]1CCC[C@](C)(CC)C1=O	238262918	573058014	/nfs/dbraw/zinc/05/80/14/573058014.db2.gz	QMDSHBORPPRVHZ-KOLCDFICSA-N	0	0	168.280	3.182	10	0		AGAERN
Clc1cccc(OC2CCCC2)n1	82460570	573058179	/nfs/dbraw/zinc/05/81/79/573058179.db2.gz	YMSKNXMGXCKQEQ-UHFFFAOYSA-N	0	0	197.665	3.056	10	0		AGAERN
CC[C@@H](C)c1ccccc1CCCO	308632857	573595270	/nfs/dbraw/zinc/59/52/70/573595270.db2.gz	WOZJYUBGYWVTFZ-LLVKDONJSA-N	0	0	192.302	3.125	10	0		AGAERN
CC=C=C(c1ccccc1)[C@H](O)CC	238265511	573063109	/nfs/dbraw/zinc/06/31/09/573063109.db2.gz	CIDIEFWXQPHZST-AZMWARKLSA-N	0	0	188.270	3.016	10	0		AGAERN
CCCCC[C@H]1CC[C@H]1CCCO	308241864	573063155	/nfs/dbraw/zinc/06/31/55/573063155.db2.gz	YZKARTDCYNMJQZ-NWDGAFQWSA-N	0	0	184.323	3.365	10	0		AGAERN
CCCC[C@H]1CC[C@H](C)CC1=O	143903941	573063253	/nfs/dbraw/zinc/06/32/53/573063253.db2.gz	AFMUUVMHFVFWJC-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H]1CC[C@H](C)[C@@H](CC)C1=O	238265425	573063271	/nfs/dbraw/zinc/06/32/71/573063271.db2.gz	MDCVPHRDHLIWGW-IVZWLZJFSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCC[C@@H]1CC[C@H](C)CC1=O	143903750	573063401	/nfs/dbraw/zinc/06/34/01/573063401.db2.gz	AFMUUVMHFVFWJC-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
C[C@@H]1CC[C@H](Nc2ccsc2)C1	85528952	573065487	/nfs/dbraw/zinc/06/54/87/573065487.db2.gz	BXUMLZIXJUIIQB-BDAKNGLRSA-N	0	0	181.304	3.349	10	0		AGAERN
CCC/C=C\CCSc1ncc[nH]1	308246964	573067709	/nfs/dbraw/zinc/06/77/09/573067709.db2.gz	WVMFVBXAGKRHLF-PLNGDYQASA-N	0	0	196.319	3.248	10	0		AGAERN
CCc1nccn1CC1(CC)CCC1	308494939	573068021	/nfs/dbraw/zinc/06/80/21/573068021.db2.gz	BLPSPQOEEXBZDA-UHFFFAOYSA-N	0	0	192.306	3.026	10	0		AGAERN
Cc1ccc(C)n1[C@@H]1C[C@@H]1[C@H]1C[C@H]1C	717104562	573081342	/nfs/dbraw/zinc/08/13/42/573081342.db2.gz	LFUXRBPNGDSNQR-GHORINQJSA-N	0	0	189.302	3.322	10	0		AGAERN
CC(C)Cc1ccc2c(c1)NCCC2	88107225	573069100	/nfs/dbraw/zinc/06/91/00/573069100.db2.gz	NOQGVCUQDQDUHC-UHFFFAOYSA-N	0	0	189.302	3.243	10	0		AGAERN
CCCC[C@H](C)OC(=O)C=C(C)C	308247110	573069109	/nfs/dbraw/zinc/06/91/09/573069109.db2.gz	XBNGPUIBPFZIMD-JTQLQIEISA-N	0	0	184.279	3.075	10	0		AGAERN
CCCNc1ccnc2ccsc12	85535300	573069209	/nfs/dbraw/zinc/06/92/09/573069209.db2.gz	OIKYJEIVRDSOKM-UHFFFAOYSA-N	0	0	192.287	3.118	10	0		AGAERN
CCC[C@@H](O)C(C1CCC1)C1CCC1	308489900	573072307	/nfs/dbraw/zinc/07/23/07/573072307.db2.gz	QEDIIWMFODTOBN-GFCCVEGCSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC[C@@](C)(CO)CC(C)(C)C	224971452	573088058	/nfs/dbraw/zinc/08/80/58/573088058.db2.gz	SKAMLLKHPXOVQY-LLVKDONJSA-N	0	0	172.312	3.221	10	0		AGAERN
Fc1cccc2cc(Cl)cnc12	225007537	573088082	/nfs/dbraw/zinc/08/80/82/573088082.db2.gz	XBDGLSHZNMMNCF-UHFFFAOYSA-N	0	0	181.597	3.027	10	0		AGAERN
CCC[C@H]1CC(=O)CC[C@@H](C)C1	238275342	573088415	/nfs/dbraw/zinc/08/84/15/573088415.db2.gz	QDZMLJXISWQVIZ-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1cn(C[C@@H](C)C(C)C)c(=S)[nH]1	88155264	573090198	/nfs/dbraw/zinc/09/01/98/573090198.db2.gz	CNUNCPALDFJSLM-MRVPVSSYSA-N	0	0	198.335	3.146	10	0		AGAERN
Cc1cn([C@@H]2CCC[C@H]2C)c(=S)[nH]1	88155122	573091018	/nfs/dbraw/zinc/09/10/18/573091018.db2.gz	NNYIOHGWSDSEFX-VXNVDRBHSA-N	0	0	196.319	3.215	10	0		AGAERN
CC[Si](C)(C)/C=C/Br	238273052	573091188	/nfs/dbraw/zinc/09/11/88/573091188.db2.gz	SQZWPADRQLOYBV-AATRIKPKSA-N	0	0	193.160	3.163	10	0		AGAERN
Cc1cn(C2(C)CCCC2)c(=S)[nH]1	88155282	573091232	/nfs/dbraw/zinc/09/12/32/573091232.db2.gz	IDUAWEJTMJQMGF-UHFFFAOYSA-N	0	0	196.319	3.143	10	0		AGAERN
CC[C@@H]1CCC[C@H](C(C)=O)CC1	85662175	573103420	/nfs/dbraw/zinc/10/34/20/573103420.db2.gz	AVTITHQODAEUIU-MNOVXSKESA-N	0	0	168.280	3.182	10	0		AGAERN
CCC1(CC)[C@H](O)C[C@@H]1C(C)(C)C	88179615	573103428	/nfs/dbraw/zinc/10/34/28/573103428.db2.gz	IXCCYBRLNLKAOV-NXEZZACHSA-N	0	0	184.323	3.220	10	0		AGAERN
CCCCc1ccc2c(c1)CC[C@H]2O	238272916	573092549	/nfs/dbraw/zinc/09/25/49/573092549.db2.gz	YKZYZCRBNPVALG-CYBMUJFWSA-N	0	0	190.286	3.009	10	0		AGAERN
Cc1cn([C@H](C)C(C)C)c(=S)[nH]1	88154459	573092582	/nfs/dbraw/zinc/09/25/82/573092582.db2.gz	KXBULMUGOKSBAX-MRVPVSSYSA-N	0	0	184.308	3.071	10	0		AGAERN
Cc1cn([C@@H](C)CC(C)C)c(=S)[nH]1	88154525	573092693	/nfs/dbraw/zinc/09/26/93/573092693.db2.gz	QFALYMQFOQBJIO-VIFPVBQESA-N	0	0	198.335	3.461	10	0		AGAERN
CC[C@@H](C(C)C)n1cc(C)[nH]c1=S	88154690	573092713	/nfs/dbraw/zinc/09/27/13/573092713.db2.gz	SQUOAKDGSKZUJI-VIFPVBQESA-N	0	0	198.335	3.461	10	0		AGAERN
O=Cc1cccc2c1ccn2C1CCC1	257940981	573101578	/nfs/dbraw/zinc/10/15/78/573101578.db2.gz	QWGRMTFUCYVHRX-UHFFFAOYSA-N	0	0	199.253	3.179	10	0		AGAERN
CC[C@]1(C)[C@@H](O)C[C@@H]1c1cccs1	88179431	573102989	/nfs/dbraw/zinc/10/29/89/573102989.db2.gz	VCUZNXRTZJGGMY-MIMYLULJSA-N	0	0	196.315	3.013	10	0		AGAERN
CC(C)C(C)(C)SCc1ccon1	308257667	573102992	/nfs/dbraw/zinc/10/29/92/573102992.db2.gz	LSFPEMJJDIDEQR-UHFFFAOYSA-N	0	0	199.319	3.342	10	0		AGAERN
CC(C)[C@@H]1CCC[C@@H]([C@@H](C)O)CC1	85658707	573103001	/nfs/dbraw/zinc/10/30/01/573103001.db2.gz	BBIMXOYVEBPQTA-IJLUTSLNSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1cc(C)c([C@@H](C)[C@H](C)O)c(C)c1	85658882	573103019	/nfs/dbraw/zinc/10/30/19/573103019.db2.gz	YURDMYPCIQMEIR-RYUDHWBXSA-N	0	0	192.302	3.096	10	0		AGAERN
O[C@@H](CC1CCCCC1)c1ccc[nH]1	82564470	573103046	/nfs/dbraw/zinc/10/30/46/573103046.db2.gz	PMKHDWIMZMDGKK-LBPRGKRZSA-N	0	0	193.290	3.019	10	0		AGAERN
Cc1cccc2c1SC1(CC1)CN2	259329163	573103071	/nfs/dbraw/zinc/10/30/71/573103071.db2.gz	SLUYTQWOYCEJAW-UHFFFAOYSA-N	0	0	191.299	3.045	10	0		AGAERN
C[C@H]1C(=O)C(C)(C)[C@H]1c1ccccc1	88183438	573103074	/nfs/dbraw/zinc/10/30/74/573103074.db2.gz	NJNHMKNJTJPWHE-MWLCHTKSSA-N	0	0	188.270	3.015	10	0		AGAERN
CC[C@@H]1Nc2c(C)cccc2C[C@@H]1C	238277965	573103134	/nfs/dbraw/zinc/10/31/34/573103134.db2.gz	YWFPYGKVEAKFOV-JQWIXIFHSA-N	0	0	189.302	3.378	10	0		AGAERN
CC[C@@H]1CCC[C@@H](C(C)=O)CC1	85662179	573103215	/nfs/dbraw/zinc/10/32/15/573103215.db2.gz	AVTITHQODAEUIU-GHMZBOCLSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC1(CC)C(=O)[C@H]2CCCC[C@H]21	88183644	573103225	/nfs/dbraw/zinc/10/32/25/573103225.db2.gz	PUGCCRBINDCREG-VHSXEESVSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@@H]1C(=O)[C@@H](C)[C@@H]1c1ccccc1	88183109	573103259	/nfs/dbraw/zinc/10/32/59/573103259.db2.gz	JEJILRBWIWQEDT-ZMLRMANQSA-N	0	0	188.270	3.015	10	0		AGAERN
CCC[C@H]1CC[C@H](O)c2ccccc21	238278498	573103308	/nfs/dbraw/zinc/10/33/08/573103308.db2.gz	ZMFXSQNDCKMKRI-GWCFXTLKSA-N	0	0	190.286	3.398	10	0		AGAERN
CC[C@H]1C(=O)[C@@H](C)C1(CC)CC	238284926	573106919	/nfs/dbraw/zinc/10/69/19/573106919.db2.gz	FQNRLTDNSAWYKF-BDAKNGLRSA-N	0	0	168.280	3.038	10	0		AGAERN
CSCc1cc2cccc(F)c2[nH]1	257944922	573115079	/nfs/dbraw/zinc/11/50/79/573115079.db2.gz	WBIULCVHAZJINX-UHFFFAOYSA-N	0	0	195.262	3.170	10	0		AGAERN
CCCCc1ccc(C(=N)OC)cc1	77276374	573115230	/nfs/dbraw/zinc/11/52/30/573115230.db2.gz	VBAWBXHDACOJGN-UHFFFAOYSA-N	0	0	191.274	3.001	10	0		AGAERN
CCc1c(C)[nH]c2c(C)c(F)ccc12	238287291	573118629	/nfs/dbraw/zinc/11/86/29/573118629.db2.gz	ZCJQNGMVUAMIIQ-UHFFFAOYSA-N	0	0	191.249	3.486	10	0		AGAERN
CCC[C@H]1c2c(O)cccc2C[C@H]1C	238282779	573129138	/nfs/dbraw/zinc/12/91/38/573129138.db2.gz	RWFXOKWFRTZLHP-MWLCHTKSSA-N	0	0	190.286	3.468	10	0		AGAERN
CC[C@@H]1C[C@H](C)c2c(N)cccc21	238282388	573131378	/nfs/dbraw/zinc/13/13/78/573131378.db2.gz	IYKOILPRWKXKSB-DTWKUNHWSA-N	0	0	175.275	3.270	10	0		AGAERN
Cc1ccc(C(C)C)cc1[C@@H](C)CO	257951758	573134959	/nfs/dbraw/zinc/13/49/59/573134959.db2.gz	BAUFZJRINRJVCV-NSHDSACASA-N	0	0	192.302	3.214	10	0		AGAERN
Cc1cccc(C2=CCCC2)c1O	223179519	573598057	/nfs/dbraw/zinc/59/80/57/573598057.db2.gz	NYJYHUOUUWDFNU-UHFFFAOYSA-N	0	0	174.243	3.268	10	0		AGAERN
CC1(Cn2cc[nH]c2=S)CCCC1	82625629	573135156	/nfs/dbraw/zinc/13/51/56/573135156.db2.gz	NOJBVKHZCVSEIJ-UHFFFAOYSA-N	0	0	196.319	3.126	10	0		AGAERN
CC(C)C[C@H](C)[C@H](O)[C@H]1CC=CCC1	308507684	573137557	/nfs/dbraw/zinc/13/75/57/573137557.db2.gz	ZXNUFGYVPXPHIE-AVGNSLFASA-N	0	0	196.334	3.386	10	0		AGAERN
C=C/C=C/[C@@H](O)c1ccc(Cl)cc1	141962700	573137669	/nfs/dbraw/zinc/13/76/69/573137669.db2.gz	SYHMJAIYDVLZEH-PGLGOXFNSA-N	0	0	194.661	3.116	10	0		AGAERN
CCCCc1ccc([C@H](C)NO)cc1	131981613	573137857	/nfs/dbraw/zinc/13/78/57/573137857.db2.gz	GDNFFQIQCCGDMF-JTQLQIEISA-N	0	0	193.290	3.069	10	0		AGAERN
CCc1ccc(CC)c(C(C)(C)O)c1	257955906	573137913	/nfs/dbraw/zinc/13/79/13/573137913.db2.gz	BIQNBHZXSHUQRV-UHFFFAOYSA-N	0	0	192.302	3.039	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O	82658816	573146977	/nfs/dbraw/zinc/14/69/77/573146977.db2.gz	KHXTTYXNQIGOMX-VOAKCMCISA-N	0	0	196.334	3.364	10	0		AGAERN
CCc1ccc2c(c1)N[C@H](C)[C@@H]2C	238290478	573147009	/nfs/dbraw/zinc/14/70/09/573147009.db2.gz	XSLGXCFOSMMYSV-DTWKUNHWSA-N	0	0	175.275	3.167	10	0		AGAERN
CC[C@H]1CCC[C@](C)(CC)C1=O	238305925	573183372	/nfs/dbraw/zinc/18/33/72/573183372.db2.gz	QMDSHBORPPRVHZ-ONGXEEELSA-N	0	0	168.280	3.182	10	0		AGAERN
CCc1ccc2ccsc2c1OC	238292765	573153091	/nfs/dbraw/zinc/15/30/91/573153091.db2.gz	YZGXLOAIPUFWGS-UHFFFAOYSA-N	0	0	192.283	3.472	10	0		AGAERN
C[C@@H]1CCC[C@@H](Nn2cccc2)CC1	85828787	573161343	/nfs/dbraw/zinc/16/13/43/573161343.db2.gz	LRGBZPATAQUMRP-VXGBXAGGSA-N	0	0	192.306	3.000	10	0		AGAERN
O[C@@H](c1cccs1)[C@H]1CC=CCC1	82678835	573161435	/nfs/dbraw/zinc/16/14/35/573161435.db2.gz	SBKBOQQRERBSQE-GXSJLCMTSA-N	0	0	194.299	3.138	10	0		AGAERN
CC[C@H](CC[C@@H]1C[C@H]1C1CC1)[C@@H](C)O	715525503	573161566	/nfs/dbraw/zinc/16/15/66/573161566.db2.gz	QAFISFMRVYBBPP-WFFHOREQSA-N	0	0	196.334	3.220	10	0		AGAERN
CCC1CCC(Nn2cccc2)CC1	85828293	573161611	/nfs/dbraw/zinc/16/16/11/573161611.db2.gz	CIUNXCQVIIUMFK-UHFFFAOYSA-N	0	0	192.306	3.000	10	0		AGAERN
CC(C)[C@@H](O)C[C@@H](C)c1ccccc1	82678569	573161897	/nfs/dbraw/zinc/16/18/97/573161897.db2.gz	IQZMBQUKHJASHV-YPMHNXCESA-N	0	0	192.302	3.197	10	0		AGAERN
C[C@@H]1CCC[C@H](Nn2cccc2)CC1	85828782	573164258	/nfs/dbraw/zinc/16/42/58/573164258.db2.gz	LRGBZPATAQUMRP-NEPJUHHUSA-N	0	0	192.306	3.000	10	0		AGAERN
CN(c1cccc(Cl)c1F)C1CC1	238296669	573164276	/nfs/dbraw/zinc/16/42/76/573164276.db2.gz	XHPZBIQCYRJNHH-UHFFFAOYSA-N	0	0	199.656	3.078	10	0		AGAERN
CCc1cccc(CC)c1NC=S	238298881	573168960	/nfs/dbraw/zinc/16/89/60/573168960.db2.gz	PTCHUYQCTITEGI-UHFFFAOYSA-N	0	0	193.315	3.181	10	0		AGAERN
Cc1cc(Cl)cc2c1C(=O)CCC2	104682863	573183156	/nfs/dbraw/zinc/18/31/56/573183156.db2.gz	HPLITLULDBURGJ-UHFFFAOYSA-N	0	0	194.661	3.167	10	0		AGAERN
CCC(C)(C)OC(=O)c1ccsc1	308294723	573183223	/nfs/dbraw/zinc/18/32/23/573183223.db2.gz	JNPIVSMUXBPPAF-UHFFFAOYSA-N	0	0	198.287	3.094	10	0		AGAERN
CC1(C)CC[C@@H](C(C)(C)C)C1=O	115429283	573195329	/nfs/dbraw/zinc/19/53/29/573195329.db2.gz	YMIJSFHJUYJJEI-MRVPVSSYSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)C/C(=C/C(C)(C)C)[N+](=O)[O-]	211656305	573195798	/nfs/dbraw/zinc/19/57/98/573195798.db2.gz	XIBKLJJFDAGFHN-CLFYSBASSA-N	0	0	185.267	3.239	10	0		AGAERN
Cc1ccc(C)n1C1(C)CCCC1	82785657	573196171	/nfs/dbraw/zinc/19/61/71/573196171.db2.gz	HRWYSDIWDFNAQL-UHFFFAOYSA-N	0	0	177.291	3.394	10	0		AGAERN
CC[C@@H]1CC(C)=C(C)C[C@H]1[C@@H](C)O	238302469	573195271	/nfs/dbraw/zinc/19/52/71/573195271.db2.gz	PGXXGNLXCXVLCV-UTUOFQBUSA-N	0	0	182.307	3.140	10	0		AGAERN
CC[C@@H](C)CC(=O)O[C@H](C)C(C)C	308308894	573211645	/nfs/dbraw/zinc/21/16/45/573211645.db2.gz	PYQDKPILQQLJEW-NXEZZACHSA-N	0	0	186.295	3.010	10	0		AGAERN
CCN(c1ccccc1)C(F)(F)F	115682372	573211648	/nfs/dbraw/zinc/21/16/48/573211648.db2.gz	DRIQEOVSHDBBME-UHFFFAOYSA-N	0	0	189.180	3.033	10	0		AGAERN
C[C@H](O)C[C@H](C)c1cccc(Cl)c1	82811655	573211666	/nfs/dbraw/zinc/21/16/66/573211666.db2.gz	CKTWDOXEXYMJOZ-IUCAKERBSA-N	0	0	198.693	3.214	10	0		AGAERN
Cc1cccc(C)c1-c1cccnc1	47216094	573211672	/nfs/dbraw/zinc/21/16/72/573211672.db2.gz	VNVJUGIJJQSFIL-UHFFFAOYSA-N	0	0	183.254	3.365	10	0		AGAERN
Cc1ccc([C@H](C)C[C@@H](C)O)cc1C	82812268	573211693	/nfs/dbraw/zinc/21/16/93/573211693.db2.gz	JSFLRIIXQBRMOD-VXGBXAGGSA-N	0	0	192.302	3.178	10	0		AGAERN
Cc1ccc([C@H](C)C[C@H](C)O)cc1C	82812272	573211731	/nfs/dbraw/zinc/21/17/31/573211731.db2.gz	JSFLRIIXQBRMOD-NEPJUHHUSA-N	0	0	192.302	3.178	10	0		AGAERN
CC(=O)CC(C)(C)C1CCCC1	82816231	573211818	/nfs/dbraw/zinc/21/18/18/573211818.db2.gz	BCMUTVBUUWMEPW-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CCc1cc(C)cc(OC(C)C)c1	219372591	573211931	/nfs/dbraw/zinc/21/19/31/573211931.db2.gz	WYTXEMXSKUPFTR-UHFFFAOYSA-N	0	0	178.275	3.345	10	0		AGAERN
CC[C@H](C)CC(=O)O[C@H](C)C(C)C	308308896	573212244	/nfs/dbraw/zinc/21/22/44/573212244.db2.gz	PYQDKPILQQLJEW-VHSXEESVSA-N	0	0	186.295	3.010	10	0		AGAERN
Cc1ccc2c(c1)NCC1(CC1)S2	259373098	573212385	/nfs/dbraw/zinc/21/23/85/573212385.db2.gz	VPIUSVBXDSDQAK-UHFFFAOYSA-N	0	0	191.299	3.045	10	0		AGAERN
O=C1CCC[C@H](SC2CCCC2)C1	82818473	573215580	/nfs/dbraw/zinc/21/55/80/573215580.db2.gz	KHULZAODHWWUIH-NSHDSACASA-N	0	0	198.331	3.174	10	0		AGAERN
C/C=C\COc1ccc(C)cc1C	212524378	573214863	/nfs/dbraw/zinc/21/48/63/573214863.db2.gz	GKCXIRQZADDLES-PLNGDYQASA-N	0	0	176.259	3.258	10	0		AGAERN
C[C@H]1CCC[C@@]1(O)C1=CCCCC1	235548561	573214948	/nfs/dbraw/zinc/21/49/48/573214948.db2.gz	JJRPIUUTASUYLE-JQWIXIFHSA-N	0	0	180.291	3.038	10	0		AGAERN
O=C1CC[C@@H](SC2CCCCC2)C1	82819853	573214971	/nfs/dbraw/zinc/21/49/71/573214971.db2.gz	CJKNMUYBZQGIAB-LLVKDONJSA-N	0	0	198.331	3.174	10	0		AGAERN
CCc1c[nH]c2c(=S)ccccc12	238307385	573215135	/nfs/dbraw/zinc/21/51/35/573215135.db2.gz	ZUWDAUNLAHIIGG-UHFFFAOYSA-N	0	0	189.283	3.460	10	0		AGAERN
C[C@H]1CCC[C@@]1(O)C1=CCCCCC1	235548575	573215216	/nfs/dbraw/zinc/21/52/16/573215216.db2.gz	OLXZYKJDJPPYGR-AAEUAGOBSA-N	0	0	194.318	3.428	10	0		AGAERN
Cc1ccccc1C(C)(C)C[C@H](C)O	82817197	573215475	/nfs/dbraw/zinc/21/54/75/573215475.db2.gz	QTZNGLNGDVFSFG-NSHDSACASA-N	0	0	192.302	3.044	10	0		AGAERN
CCCCC[C@@H](O)c1[nH]cc(C)c1C	308517688	573215488	/nfs/dbraw/zinc/21/54/88/573215488.db2.gz	GBRQWMDRCSRUMO-LLVKDONJSA-N	0	0	195.306	3.245	10	0		AGAERN
Cc1ccc(-c2cc[nH]n2)c(C)c1C	259378613	573215496	/nfs/dbraw/zinc/21/54/96/573215496.db2.gz	VZULUNKZYXGXLS-UHFFFAOYSA-N	0	0	186.258	3.002	10	0		AGAERN
CCc1nc2c(C)ccc(F)c2s1	238309005	573217396	/nfs/dbraw/zinc/21/73/96/573217396.db2.gz	INHJKQQMSIXOLC-UHFFFAOYSA-N	0	0	195.262	3.306	10	0		AGAERN
Cc1nccn1C1C[C@H](C)C[C@@H](C)C1	82833888	573217421	/nfs/dbraw/zinc/21/74/21/573217421.db2.gz	ZUYJJLOTVATBEZ-NXEZZACHSA-N	0	0	192.306	3.189	10	0		AGAERN
CCc1c[nH]c2cc(C)c(C)cc12	238308430	573217436	/nfs/dbraw/zinc/21/74/36/573217436.db2.gz	OKCPFZXIAQADRT-UHFFFAOYSA-N	0	0	173.259	3.347	10	0		AGAERN
C[C@H]1CC2=NC(=S)SC2[C@H](C)C1	82831983	573217491	/nfs/dbraw/zinc/21/74/91/573217491.db2.gz	FSFLTWWKCSDONG-PHDIDXHHSA-N	0	0	199.344	3.118	10	0		AGAERN
CC[C@@]1(C)C(=O)[C@H](C)CC[C@@H]1C	238308195	573216899	/nfs/dbraw/zinc/21/68/99/573216899.db2.gz	SXKNOPSXMGMWQG-WCABBAIRSA-N	0	0	168.280	3.038	10	0		AGAERN
CCc1cc(Cl)c2cnoc2c1	238308344	573216912	/nfs/dbraw/zinc/21/69/12/573216912.db2.gz	YHMBHGHPKBGXAX-UHFFFAOYSA-N	0	0	181.622	3.044	10	0		AGAERN
CC[C@H](C)S[C@H]1CCCC(=O)C1	82818382	573216938	/nfs/dbraw/zinc/21/69/38/573216938.db2.gz	ZQVGMUZEXFHFAU-WPRPVWTQSA-N	0	0	186.320	3.030	10	0		AGAERN
CCc1c[nH]c2cc(C)c(OC)cc12	238308463	573216955	/nfs/dbraw/zinc/21/69/55/573216955.db2.gz	SGWYWFNAYWCCQR-UHFFFAOYSA-N	0	0	189.258	3.047	10	0		AGAERN
CC[C@H]1CC[C@H](C(C)C)C(=O)C1	238308971	573216960	/nfs/dbraw/zinc/21/69/60/573216960.db2.gz	QLXPAXWBHWMXIP-VHSXEESVSA-N	0	0	168.280	3.038	10	0		AGAERN
CCc1c[nH]c2c(C)ccc(OC)c12	238307792	573217102	/nfs/dbraw/zinc/21/71/02/573217102.db2.gz	FCFRRFQWRRDFIF-UHFFFAOYSA-N	0	0	189.258	3.047	10	0		AGAERN
CCc1cc2cc(F)ccc2o1	115753045	573217121	/nfs/dbraw/zinc/21/71/21/573217121.db2.gz	REYWFOUESRKJSB-UHFFFAOYSA-N	0	0	164.179	3.134	10	0		AGAERN
CCc1c[nH]c2c(F)c(F)ccc12	238307847	573217275	/nfs/dbraw/zinc/21/72/75/573217275.db2.gz	DHEBLCXIQVMQSE-UHFFFAOYSA-N	0	0	181.185	3.009	10	0		AGAERN
C[C@H]1C[C@@H](C)CC2=NC(=S)SC21	82831985	573217307	/nfs/dbraw/zinc/21/73/07/573217307.db2.gz	FSFLTWWKCSDONG-RITPCOANSA-N	0	0	199.344	3.118	10	0		AGAERN
C=C/C=C\CCC[C@H](C)/C=C\CO	217942481	573222620	/nfs/dbraw/zinc/22/26/20/573222620.db2.gz	YBMJQBYPUBQJIY-VCMYRIMNSA-N	0	0	180.291	3.084	10	0		AGAERN
CCc1cc(C)cc2sncc12	238320633	573222679	/nfs/dbraw/zinc/22/26/79/573222679.db2.gz	LILVIGWHYOUEOR-UHFFFAOYSA-N	0	0	177.272	3.167	10	0		AGAERN
C[C@@H](c1ccccc1C=O)C1CC1	259038085	573229182	/nfs/dbraw/zinc/22/91/82/573229182.db2.gz	AANNOUVRRCZPKY-SECBINFHSA-N	0	0	174.243	3.013	10	0		AGAERN
Cc1ccn([C@@H]2CC[C@@H](C)[C@H](C)C2)n1	82844889	573228651	/nfs/dbraw/zinc/22/86/51/573228651.db2.gz	PSCAYBMAORIYEJ-CKYFFXLPSA-N	0	0	192.306	3.189	10	0		AGAERN
CC(C)C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	82843148	573228759	/nfs/dbraw/zinc/22/87/59/573228759.db2.gz	OKLQRXNUHFSIOC-OUAUKWLOSA-N	0	0	182.307	3.284	10	0		AGAERN
C[C@H]1C[C@@H]([C@H](O)C(C)(C)C)CC[C@H]1C	82842864	573228768	/nfs/dbraw/zinc/22/87/68/573228768.db2.gz	RHXHTVNCXHFSMI-RHYQMDGZSA-N	0	0	198.350	3.466	10	0		AGAERN
C[C@H]1C[C@@H](n2cccc2)CC[C@H]1C	82844859	573228882	/nfs/dbraw/zinc/22/88/82/573228882.db2.gz	OOLUWUKXQRJJOJ-WOPDTQHZSA-N	0	0	177.291	3.485	10	0		AGAERN
Cc1cc(C)c(Cl)c([C@@H](C)CO)c1	258243023	573236952	/nfs/dbraw/zinc/23/69/52/573236952.db2.gz	WZFPRSWZVJMHLQ-VIFPVBQESA-N	0	0	198.693	3.053	10	0		AGAERN
Cc1c2ccoc2c(N)c2ccoc12	259388228	573236246	/nfs/dbraw/zinc/23/62/46/573236246.db2.gz	RHAXXGPZYCPVIV-UHFFFAOYSA-N	0	0	187.198	3.070	10	0		AGAERN
CC[C@H]1C[C@@H](C)c2ccc(O)cc2N1	238314327	573236352	/nfs/dbraw/zinc/23/63/52/573236352.db2.gz	CPDXGPAPUOLGEO-BDAKNGLRSA-N	0	0	191.274	3.090	10	0		AGAERN
CCCCc1cccc(OCC)c1N	308528234	573236458	/nfs/dbraw/zinc/23/64/58/573236458.db2.gz	BPLFMHGRWWZXQC-UHFFFAOYSA-N	0	0	193.290	3.010	10	0		AGAERN
CC1CCC([C@H]2CCCC2=O)CC1	82856296	573236632	/nfs/dbraw/zinc/23/66/32/573236632.db2.gz	HIOLMGASKNMIMU-VQXHTEKXSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@H](C)c1cc2cc(O)ccc2[nH]1	222939913	573236741	/nfs/dbraw/zinc/23/67/41/573236741.db2.gz	DQWMIOYDDWMWAD-QMMMGPOBSA-N	0	0	189.258	3.387	10	0		AGAERN
CCC1(C[C@@H](O)CC(C)C)CCC1	308323509	573236829	/nfs/dbraw/zinc/23/68/29/573236829.db2.gz	DBFDZGPSTKGFRK-NSHDSACASA-N	0	0	184.323	3.364	10	0		AGAERN
Br/C=C/C1=CCCCC1	105244970	573244702	/nfs/dbraw/zinc/24/47/02/573244702.db2.gz	VMRCGRRGFUYOFC-VOTSOKGWSA-N	0	0	187.080	3.395	10	0		AGAERN
CC(C)C[C@]1(O)CCC[C@@H](C)[C@H]1C	82861080	573244706	/nfs/dbraw/zinc/24/47/06/573244706.db2.gz	DGQXQAVZBWBYNZ-IJLUTSLNSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1cc(NC(C)C)c(N)cc1Cl	259045203	573244179	/nfs/dbraw/zinc/24/41/79/573244179.db2.gz	VETPATVFMXUTKN-UHFFFAOYSA-N	0	0	198.697	3.051	10	0		AGAERN
CCc1cc2c(F)c(C)ccc2[nH]1	238315702	573244182	/nfs/dbraw/zinc/24/41/82/573244182.db2.gz	PMWMUKIHZMIHGQ-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
CCc1cc2c(C)ccc(C)c2[nH]1	238315203	573244387	/nfs/dbraw/zinc/24/43/87/573244387.db2.gz	PWCLRXGQSFMVQU-UHFFFAOYSA-N	0	0	173.259	3.347	10	0		AGAERN
CC[C@@H](C)COc1ccc(C)cc1	82865175	573250704	/nfs/dbraw/zinc/25/07/04/573250704.db2.gz	CJKGVRQKXXJIRR-SNVBAGLBSA-N	0	0	178.275	3.420	10	0		AGAERN
CC(C)Oc1ccnc2ccccc12	197254910	573250747	/nfs/dbraw/zinc/25/07/47/573250747.db2.gz	RXXGWCLPRJOXOB-UHFFFAOYSA-N	0	0	187.242	3.022	10	0		AGAERN
CCc1cc(N)c(Cl)cc1Cl	116142354	573250360	/nfs/dbraw/zinc/25/03/60/573250360.db2.gz	KMWDXUMOFMAQRI-UHFFFAOYSA-N	0	0	190.073	3.138	10	0		AGAERN
CCC(C)(C)[C@H]1CC[C@H](C)CC1=O	82865384	573250364	/nfs/dbraw/zinc/25/03/64/573250364.db2.gz	ZWJCAORPRZIDDP-UWVGGRQHSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)N/C=C/[C@@H](C)CCC=C(C)C	238419609	573250449	/nfs/dbraw/zinc/25/04/49/573250449.db2.gz	ZCIFVBKUFKJNPH-FBOQAHMBSA-N	0	0	195.306	3.019	10	0		AGAERN
CC(C)C(C)(C)[C@H]1CC[C@@H](C)C[C@H]1O	82865656	573250454	/nfs/dbraw/zinc/25/04/54/573250454.db2.gz	RYXUCGWSDPIMDO-GRYCIOLGSA-N	0	0	198.350	3.466	10	0		AGAERN
CC1(C)CC[C@]2(C)CCCC[C@H]2[C@H]1O	105296710	573250468	/nfs/dbraw/zinc/25/04/68/573250468.db2.gz	TWAKZSCHVDAMDF-LOWVWBTDSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@]1(C)C=C2CCCC[C@@H]2C1=O	238317323	573250588	/nfs/dbraw/zinc/25/05/88/573250588.db2.gz	CYGPYHIGWFJETO-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
CCc1cc2cc(C=O)sc2s1	238316918	573250650	/nfs/dbraw/zinc/25/06/50/573250650.db2.gz	RCQUJPPMNMBSQH-UHFFFAOYSA-N	0	0	196.296	3.338	10	0		AGAERN
CC[C@@H](O)[C@@H](C)CC1(CC)CCC1	308329389	573258513	/nfs/dbraw/zinc/25/85/13/573258513.db2.gz	JMAICOPZTTYYOA-WDEREUQCSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1coc([C@@H](O)[C@@H](C)C(C)(C)C)c1	715743291	573258105	/nfs/dbraw/zinc/25/81/05/573258105.db2.gz	GWNSWZFHNZDOAX-KOLCDFICSA-N	0	0	196.290	3.304	10	0		AGAERN
CC[C@H](O)[C@H](C)CC1(CC)CCC1	308329387	573258120	/nfs/dbraw/zinc/25/81/20/573258120.db2.gz	JMAICOPZTTYYOA-MNOVXSKESA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@]1(C)N=Nc2ccccc2N1	238319273	573258148	/nfs/dbraw/zinc/25/81/48/573258148.db2.gz	VMOLVXLYQADYIL-SNVBAGLBSA-N	0	0	175.235	3.322	10	0		AGAERN
C=Cc1ccc(C(C)(C)C)nc1	116284631	573258312	/nfs/dbraw/zinc/25/83/12/573258312.db2.gz	NOJVJWVMLPWLSQ-UHFFFAOYSA-N	0	0	161.248	3.022	10	0		AGAERN
CCC1(CC2([C@@H](C)O)CC2)CCC1	308329427	573259212	/nfs/dbraw/zinc/25/92/12/573259212.db2.gz	JOBBXTKWOYXHPE-SNVBAGLBSA-N	0	0	182.307	3.118	10	0		AGAERN
CCc1cc(Cl)cc2oncc12	238326941	573259087	/nfs/dbraw/zinc/25/90/87/573259087.db2.gz	HJRSWQBQHGTDSD-UHFFFAOYSA-N	0	0	181.622	3.044	10	0		AGAERN
CCc1coc2cc(OC)ccc12	238326032	573262441	/nfs/dbraw/zinc/26/24/41/573262441.db2.gz	QPTHKPDLKHGBHS-UHFFFAOYSA-N	0	0	176.215	3.004	10	0		AGAERN
Cc1ncccc1SC(C)(C)C	142345348	573262467	/nfs/dbraw/zinc/26/24/67/573262467.db2.gz	YUMPMSCGDRMHGD-UHFFFAOYSA-N	0	0	181.304	3.281	10	0		AGAERN
CCC1(C[C@@H](O)C(C)(C)C)CCC1	308331854	573262823	/nfs/dbraw/zinc/26/28/23/573262823.db2.gz	LDDKTEHQSHJAQT-SNVBAGLBSA-N	0	0	184.323	3.364	10	0		AGAERN
C/C=C(\C)[C@]1(C)Cc2ccccc2N1	308332359	573262910	/nfs/dbraw/zinc/26/29/10/573262910.db2.gz	FGOKEWRDEFLOEB-CFDVYZKQSA-N	0	0	187.286	3.380	10	0		AGAERN
CC1CCC(C[C@@H](CO)C(C)C)CC1	308536450	573278070	/nfs/dbraw/zinc/27/80/70/573278070.db2.gz	RVYHVAACUWHMNP-BPCQOVAHSA-N	0	0	198.350	3.467	10	0		AGAERN
CCC(=O)[C@@H](C)c1ccccc1C	86161573	573278083	/nfs/dbraw/zinc/27/80/83/573278083.db2.gz	JHUIIBLCHSQNDC-JTQLQIEISA-N	0	0	176.259	3.078	10	0		AGAERN
CCC(=O)[C@H]1CCCC(C)(C)C1	86161600	573277323	/nfs/dbraw/zinc/27/73/23/573277323.db2.gz	XKLRVGHRBMLVRF-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CCC(=O)[C@H](C)c1ccc(F)c(F)c1	86161721	573277331	/nfs/dbraw/zinc/27/73/31/573277331.db2.gz	NFMJUENILMVEMS-SSDOTTSWSA-N	0	0	198.212	3.047	10	0		AGAERN
CCC(=O)[C@@H]1CCC[C@H](C)[C@@H]1C	86161613	573277545	/nfs/dbraw/zinc/27/75/45/573277545.db2.gz	DHTQEJOUCFQSHD-LPEHRKFASA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(=O)C1CCCCCCC1	86161679	573277564	/nfs/dbraw/zinc/27/75/64/573277564.db2.gz	HETIJUSCDBCJER-UHFFFAOYSA-N	0	0	168.280	3.326	10	0		AGAERN
CCc1cc(O)c(CC)c(C)c1N=O	238335036	573277687	/nfs/dbraw/zinc/27/76/87/573277687.db2.gz	VUMVWOLCOHGTLL-UHFFFAOYSA-N	0	0	193.246	3.223	10	0		AGAERN
CCC(=O)[C@@H]1C[C@H](C)CC[C@@H]1C	86161690	573277720	/nfs/dbraw/zinc/27/77/20/573277720.db2.gz	WFBSTOBVVDHROT-KXUCPTDWSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(=O)C1[C@@H](C)CCC[C@@H]1C	86161688	573277815	/nfs/dbraw/zinc/27/78/15/573277815.db2.gz	OLSKLQKLUKRTCC-IUCAKERBSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(=O)[C@H]1CCC[C@@H](C)CC1	86161703	573277886	/nfs/dbraw/zinc/27/78/86/573277886.db2.gz	MLTXNOYOFRYGML-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC(=O)[C@H](C)c1ccc(C)cc1C	86161590	573277944	/nfs/dbraw/zinc/27/79/44/573277944.db2.gz	IITGSFQPTQWEMC-LLVKDONJSA-N	0	0	190.286	3.386	10	0		AGAERN
CC(C)[C@@H](O)[C@@H]1CCC[C@@H](C)CC1	86183571	573289624	/nfs/dbraw/zinc/28/96/24/573289624.db2.gz	PJWZKOQHQRZVMR-IJLUTSLNSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@@H](O)[C@H]1C[C@@H](C)CC(C)(C)C1	86183637	573289840	/nfs/dbraw/zinc/28/98/40/573289840.db2.gz	UDJINLCOCOTEIG-GRYCIOLGSA-N	0	0	198.350	3.466	10	0		AGAERN
Cc1ccccc1[C@@H](C)[C@@H](O)C(C)C	86183667	573289847	/nfs/dbraw/zinc/28/98/47/573289847.db2.gz	RUGKKWCSGLJFMX-YPMHNXCESA-N	0	0	192.302	3.115	10	0		AGAERN
Cc1ccc([C@@H](C)[C@H](O)C(C)C)s1	86182911	573289895	/nfs/dbraw/zinc/28/98/95/573289895.db2.gz	FLHBNALRZGYXBI-MWLCHTKSSA-N	0	0	198.331	3.177	10	0		AGAERN
CC1=C[C@H](C)c2c(C)ccc(O)c21	197020454	573289908	/nfs/dbraw/zinc/28/99/08/573289908.db2.gz	IYLIGEWIVXHFQU-QMMMGPOBSA-N	0	0	174.243	3.221	10	0		AGAERN
CC(C)[C@@H](O)[C@@H]1C[C@H](C)CC[C@@H]1C	86183548	573290044	/nfs/dbraw/zinc/29/00/44/573290044.db2.gz	PHSRSKLTOUJHBF-WRWGMCAJSA-N	0	0	184.323	3.076	10	0		AGAERN
CCC[C@@H]1C[C@]1(O)c1sccc1C	86203922	573312310	/nfs/dbraw/zinc/31/23/10/573312310.db2.gz	MVYPWXHVXZYRAY-MWLCHTKSSA-N	0	0	196.315	3.064	10	0		AGAERN
Cc1cc(C)c(C)c(Cl)c1	117009549	573312350	/nfs/dbraw/zinc/31/23/50/573312350.db2.gz	YDAYZEFHKUCVII-UHFFFAOYSA-N	0	0	154.640	3.265	10	0		AGAERN
CCC[C@H]1C[C@@]1(O)c1ccc(C)s1	86203480	573312416	/nfs/dbraw/zinc/31/24/16/573312416.db2.gz	AWRIBIRCOURNPJ-ONGXEEELSA-N	0	0	196.315	3.064	10	0		AGAERN
CCC[C@H]1C[C@]1(O)C1C(C)(C)C1(C)C	86204054	573312432	/nfs/dbraw/zinc/31/24/32/573312432.db2.gz	AZCYHXDPBKGUJU-TVQRCGJNSA-N	0	0	196.334	3.220	10	0		AGAERN
CCC[C@@H]1C[C@@]1(O)C1C(C)(C)C1(C)C	86204056	573312482	/nfs/dbraw/zinc/31/24/82/573312482.db2.gz	AZCYHXDPBKGUJU-RNCFNFMXSA-N	0	0	196.334	3.220	10	0		AGAERN
CCC[C@H]1C[C@]1(O)c1sccc1C	86203924	573311955	/nfs/dbraw/zinc/31/19/55/573311955.db2.gz	MVYPWXHVXZYRAY-GXSJLCMTSA-N	0	0	196.315	3.064	10	0		AGAERN
CNc1ccsc1C=C(C)C	238345486	573312033	/nfs/dbraw/zinc/31/20/33/573312033.db2.gz	JDKZUDWNWYNTMH-UHFFFAOYSA-N	0	0	167.277	3.213	10	0		AGAERN
CCCCCNc1cccc(NC)c1	259413373	573312047	/nfs/dbraw/zinc/31/20/47/573312047.db2.gz	YVKNLEBOZPIDPF-UHFFFAOYSA-N	0	0	192.306	3.330	10	0		AGAERN
CCC[C@@H]1C[C@@]1(O)C1CCCCC1	86203958	573312104	/nfs/dbraw/zinc/31/21/04/573312104.db2.gz	ITUYNXKPXOQHEL-VXGBXAGGSA-N	0	0	182.307	3.118	10	0		AGAERN
CCC[C@@H]1C[C@]1(O)C1CCCCC1	86203954	573312174	/nfs/dbraw/zinc/31/21/74/573312174.db2.gz	ITUYNXKPXOQHEL-NEPJUHHUSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(C)/C(=C\[C@H]1CCC[C@@H](C)C1)CO	86209415	573312698	/nfs/dbraw/zinc/31/26/98/573312698.db2.gz	ALBCDTSEVFACRO-LSOFDGFXSA-N	0	0	196.334	3.387	10	0		AGAERN
CC/C(=C\[C@H]1CCC[C@H](C)C1)CO	86209069	573312736	/nfs/dbraw/zinc/31/27/36/573312736.db2.gz	SETNHOMLNIXFNL-MEPBBVLVSA-N	0	0	182.307	3.141	10	0		AGAERN
CCC[C@@H]1C[C@]1(O)c1cccc(C)c1	86203560	573312788	/nfs/dbraw/zinc/31/27/88/573312788.db2.gz	IMNAXEPBBORQLM-OLZOCXBDSA-N	0	0	190.286	3.003	10	0		AGAERN
CCc1cnc(C(C)(C)C)s1	117010599	573312826	/nfs/dbraw/zinc/31/28/26/573312826.db2.gz	LQXNLMQJOBSLOE-UHFFFAOYSA-N	0	0	169.293	3.003	10	0		AGAERN
Cc1ccccc1[C@@H](O)CCCCF	308547242	573312997	/nfs/dbraw/zinc/31/29/97/573312997.db2.gz	QBTMYHBUXPLSJS-LBPRGKRZSA-N	0	0	196.265	3.168	10	0		AGAERN
CCC[C@H]1C[C@]1(O)C1CCCCC1	86203956	573313022	/nfs/dbraw/zinc/31/30/22/573313022.db2.gz	ITUYNXKPXOQHEL-RYUDHWBXSA-N	0	0	182.307	3.118	10	0		AGAERN
O=Cc1ccccc1[C@H]1CCC1(F)F	258001176	573313071	/nfs/dbraw/zinc/31/30/71/573313071.db2.gz	GITQDWGXVXKRIP-SNVBAGLBSA-N	0	0	196.196	3.012	10	0		AGAERN
CC/C(=C\C1CCC(C)CC1)CO	86209288	573313084	/nfs/dbraw/zinc/31/30/84/573313084.db2.gz	MKOAFCXDXNZEPI-DHZHZOJOSA-N	0	0	182.307	3.141	10	0		AGAERN
CC(=O)CCc1cc(C)ccc1Cl	106873925	573322616	/nfs/dbraw/zinc/32/26/16/573322616.db2.gz	ITVQTSGVRKWKJA-UHFFFAOYSA-N	0	0	196.677	3.170	10	0		AGAERN
CNc1ccccc1C1=CCCC1	238341115	573323110	/nfs/dbraw/zinc/32/31/10/573323110.db2.gz	UGAKNCKPTIDURU-UHFFFAOYSA-N	0	0	173.259	3.296	10	0		AGAERN
C[C@H](CO)CC[C@H]1CCC[C@H](C)C1	308349917	573334174	/nfs/dbraw/zinc/33/41/74/573334174.db2.gz	XSGMQQLRCYMGQF-SDDRHHMPSA-N	0	0	184.323	3.221	10	0		AGAERN
CC(C)C[C@@H]1CCC(F)(F)C1	258630765	573333942	/nfs/dbraw/zinc/33/39/42/573333942.db2.gz	CFVSSBXIGMBWFK-QMMMGPOBSA-N	0	0	162.223	3.468	10	0		AGAERN
CCC1(CC[C@H](O)C(C)C)CCC1	308345871	573337127	/nfs/dbraw/zinc/33/71/27/573337127.db2.gz	VELOYEKFEMDJTP-NSHDSACASA-N	0	0	184.323	3.364	10	0		AGAERN
CCC1(CC[C@@H](O)C(C)C)CCC1	308345870	573337230	/nfs/dbraw/zinc/33/72/30/573337230.db2.gz	VELOYEKFEMDJTP-LLVKDONJSA-N	0	0	184.323	3.364	10	0		AGAERN
C/C=C\COc1cc(F)c(F)cc1C	308560406	573336679	/nfs/dbraw/zinc/33/66/79/573336679.db2.gz	VRBOCEQBDYQJOD-ARJAWSKDSA-N	0	0	198.212	3.228	10	0		AGAERN
CC[C@H](C)C[C@H]1CCC(=O)[C@@H]1C	83001956	573356704	/nfs/dbraw/zinc/35/67/04/573356704.db2.gz	YHNUZCRCTODLAE-IVZWLZJFSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)=C[C@H](C)[C@@H](O)c1ccccc1	238367886	573356727	/nfs/dbraw/zinc/35/67/27/573356727.db2.gz	GUAPZHHFNBWAJR-WCQYABFASA-N	0	0	190.286	3.322	10	0		AGAERN
CC1CCC([C@@H]2CCC(=O)[C@H]2C)CC1	83002480	573356807	/nfs/dbraw/zinc/35/68/07/573356807.db2.gz	KGGRVMYNLVQREK-POSLAHMBSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)CC[C@@H]1CCC(=O)[C@@H]1C	83001635	573356811	/nfs/dbraw/zinc/35/68/11/573356811.db2.gz	QRIMWXFHSMYNKX-NXEZZACHSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@@H](C=C(F)F)[C@@H](O)c1ccccc1	238368268	573356202	/nfs/dbraw/zinc/35/62/02/573356202.db2.gz	VBKKFBZMDFMBIA-GZMMTYOYSA-N	0	0	198.212	3.137	10	0		AGAERN
OCCCC/C=C/c1ccc(F)cc1	238649561	573356218	/nfs/dbraw/zinc/35/62/18/573356218.db2.gz	HBEMDWYWAXGYHM-HWKANZROSA-N	0	0	194.249	3.002	10	0		AGAERN
Cc1cccc([C@@H]2CCC(=O)[C@@H]2C)c1	83002289	573356445	/nfs/dbraw/zinc/35/64/45/573356445.db2.gz	VBWWFFFAKLTNGF-ZYHUDNBSSA-N	0	0	188.270	3.078	10	0		AGAERN
CC(C)=C[C@H](C)C1=CCC(=O)CC1	238367746	573356507	/nfs/dbraw/zinc/35/65/07/573356507.db2.gz	JWCDVMYNAVRAIT-JTQLQIEISA-N	0	0	178.275	3.268	10	0		AGAERN
O[C@@H](CC1CC1)c1ccccc1Cl	82999850	573356524	/nfs/dbraw/zinc/35/65/24/573356524.db2.gz	CBWJOZQSRQSJEF-NSHDSACASA-N	0	0	196.677	3.174	10	0		AGAERN
C[C@@H]1CCC[C@H]([C@@H]2CCC(=O)[C@@H]2C)C1	83002173	573356571	/nfs/dbraw/zinc/35/65/71/573356571.db2.gz	JEOIPTWZRHUWEB-WISYIIOYSA-N	0	0	194.318	3.428	10	0		AGAERN
Cc1cccc([C@H]2CCC(=O)[C@@H]2C)c1	83002291	573356584	/nfs/dbraw/zinc/35/65/84/573356584.db2.gz	VBWWFFFAKLTNGF-PWSUYJOCSA-N	0	0	188.270	3.078	10	0		AGAERN
CCCC(=O)[C@H](C)c1ccccc1F	211948562	573360837	/nfs/dbraw/zinc/36/08/37/573360837.db2.gz	TVIAVSPNMYIDEW-SECBINFHSA-N	0	0	194.249	3.298	10	0		AGAERN
CC(=O)Cc1cc(C)c(Cl)cc1C	214863229	573361018	/nfs/dbraw/zinc/36/10/18/573361018.db2.gz	ZZYXEWUXBWDCRM-UHFFFAOYSA-N	0	0	196.677	3.088	10	0		AGAERN
CC1CCC([C@@H]2CC[C@@H](O)[C@@H]2C)CC1	83035907	573363176	/nfs/dbraw/zinc/36/31/76/573363176.db2.gz	PYTQIVZRFWGDSG-MMJCSWOSSA-N	0	0	196.334	3.220	10	0		AGAERN
CCCC1(C(=O)c2ccc(C)o2)CC1	308562094	573363249	/nfs/dbraw/zinc/36/32/49/573363249.db2.gz	XZODKBHZOWFLIC-UHFFFAOYSA-N	0	0	192.258	3.351	10	0		AGAERN
Cc1cccc(NCC(C)(C)F)c1	107128466	573363410	/nfs/dbraw/zinc/36/34/10/573363410.db2.gz	NPTRPOKEEABJLX-UHFFFAOYSA-N	0	0	181.254	3.155	10	0		AGAERN
c1ccc2c(-c3ccno3)coc2c1	259427672	573363557	/nfs/dbraw/zinc/36/35/57/573363557.db2.gz	ZLAKKCDYZOOSAY-UHFFFAOYSA-N	0	0	185.182	3.088	10	0		AGAERN
Cc1ccccc1NCC(C)(C)F	107128471	573363684	/nfs/dbraw/zinc/36/36/84/573363684.db2.gz	DVGQPJRYUKDYFS-UHFFFAOYSA-N	0	0	181.254	3.155	10	0		AGAERN
C[C@H]1C[C@@H](C)c2c(F)cccc2N1	258007988	573368956	/nfs/dbraw/zinc/36/89/56/573368956.db2.gz	MPVGCOGULFZYQE-SFYZADRCSA-N	0	0	179.238	3.133	10	0		AGAERN
CCC[C@H](O)c1cc(Cl)cs1	86333857	573369001	/nfs/dbraw/zinc/36/90/01/573369001.db2.gz	OXLVWOPMPJALRL-ZETCQYMHSA-N	0	0	190.695	3.235	10	0		AGAERN
C[C@H]1Nc2ccccc2C12CCCC2	107132978	573368303	/nfs/dbraw/zinc/36/83/03/573368303.db2.gz	SHRSKFHXDYCYDD-SNVBAGLBSA-N	0	0	187.286	3.312	10	0		AGAERN
CCc1cccc(Cl)c1CC	78161034	573368410	/nfs/dbraw/zinc/36/84/10/573368410.db2.gz	DNSPQOXYZXNTPT-UHFFFAOYSA-N	0	0	168.667	3.465	10	0		AGAERN
CSc1ccc2c(c1)CCCS2	238380332	573368630	/nfs/dbraw/zinc/36/86/30/573368630.db2.gz	DWACWXDMTIUPLX-UHFFFAOYSA-N	0	0	196.340	3.447	10	0		AGAERN
CCCC(CCC)C(=O)CSC	132941787	573369762	/nfs/dbraw/zinc/36/97/62/573369762.db2.gz	DDLALYNQTZJEER-UHFFFAOYSA-N	0	0	188.336	3.135	10	0		AGAERN
COc1ccc2c(c1)[C@@H](C)C(C)(C)N2	258322665	573369299	/nfs/dbraw/zinc/36/92/99/573369299.db2.gz	WMUWUZAMYPUUTR-MRVPVSSYSA-N	0	0	191.274	3.003	10	0		AGAERN
C[C@@H]1C[C@@H](C)c2c(F)cccc2N1	258007979	573369467	/nfs/dbraw/zinc/36/94/67/573369467.db2.gz	MPVGCOGULFZYQE-HTQZYQBOSA-N	0	0	179.238	3.133	10	0		AGAERN
CC1=CC(C)(C)[C@@H](C/C=C/[C@@H](C)O)C1	238380281	573369586	/nfs/dbraw/zinc/36/95/86/573369586.db2.gz	WTXYIFRGJKGBCI-AIIUZBJTSA-N	0	0	194.318	3.306	10	0		AGAERN
Cc1cc(F)c(C(C)C)cc1[C@H](C)O	258008484	573369674	/nfs/dbraw/zinc/36/96/74/573369674.db2.gz	HCKPZKVYOBIYKH-VIFPVBQESA-N	0	0	196.265	3.311	10	0		AGAERN
C[C@@H]1CCC(=O)[C@@H](C2CCCC2)C1	86354860	573381254	/nfs/dbraw/zinc/38/12/54/573381254.db2.gz	KZDKYOAFSOHWBL-MWLCHTKSSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@H](C(C)=O)C1CCC(C)CC1	86353848	573381271	/nfs/dbraw/zinc/38/12/71/573381271.db2.gz	CIHONTUHOUHVCA-QEWOUOOISA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(=O)C[C@H]1CCC[C@@H](C)C1	86353028	573381286	/nfs/dbraw/zinc/38/12/86/573381286.db2.gz	GPSHNUPMKOLHLT-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H]1CCC[C@H]([C@@H](C)C(C)=O)C1	86353581	573380606	/nfs/dbraw/zinc/38/06/06/573380606.db2.gz	XRJJBQIUBCOCLZ-WCQGTBRESA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@](O)(C1CC1)[C@H]1CCC[C@H](C)C1	83058575	573380628	/nfs/dbraw/zinc/38/06/28/573380628.db2.gz	PGOZBXCMCHKGBR-DRZSPHRISA-N	0	0	196.334	3.364	10	0		AGAERN
C/C=C\CC[NH2+][C@@H](C)c1ccc(C)o1	308377853	573380660	/nfs/dbraw/zinc/38/06/60/573380660.db2.gz	CPVSKXILIPOELV-WYGGZMRJSA-N	0	0	193.290	3.205	10	0		AGAERN
CC[C@H]1CCC(=O)[C@H](C(C)C)C1	86355476	573380696	/nfs/dbraw/zinc/38/06/96/573380696.db2.gz	VEHMRVZNGGCUET-UWVGGRQHSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@@H]1CCC(=O)[C@@H](CC2CC2)C1	86355274	573380709	/nfs/dbraw/zinc/38/07/09/573380709.db2.gz	OLICSVDPTLUPDE-MWLCHTKSSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@@H](C)[C@H]1Cc2ccccc2C1=O	86354394	573380815	/nfs/dbraw/zinc/38/08/15/573380815.db2.gz	FANIXINFBJLLKB-BXKDBHETSA-N	0	0	188.270	3.088	10	0		AGAERN
O=C1CCCCC[C@H]1CC1CCC1	86354605	573380871	/nfs/dbraw/zinc/38/08/71/573380871.db2.gz	XOEVCAJZDOSYDM-NSHDSACASA-N	0	0	180.291	3.326	10	0		AGAERN
CC(C)[C@H]1CCC(=O)[C@H](CC2CC2)C1	86356131	573380890	/nfs/dbraw/zinc/38/08/90/573380890.db2.gz	FMMQUDLPXLSNHL-NWDGAFQWSA-N	0	0	194.318	3.428	10	0		AGAERN
CC[C@H]1CCC(=O)[C@@H](C(C)C)C1	86355480	573380896	/nfs/dbraw/zinc/38/08/96/573380896.db2.gz	VEHMRVZNGGCUET-VHSXEESVSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1[C@@H](C)C(C)=O	86353459	573380916	/nfs/dbraw/zinc/38/09/16/573380916.db2.gz	GAVWTNYNOQVBNV-MVWJERBFSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H](C(C)=O)C1CCCCC1	86353598	573380940	/nfs/dbraw/zinc/38/09/40/573380940.db2.gz	ZJVVJXWYQSPPDF-LLVKDONJSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@](O)(c1ccc(C)cc1)C1CC1	83058443	573381016	/nfs/dbraw/zinc/38/10/16/573381016.db2.gz	YNQLAQIEPMSFIB-CYBMUJFWSA-N	0	0	190.286	3.003	10	0		AGAERN
CC[C@H](C)[C@H]1C[C@H](C)CCC1=O	86354897	573381020	/nfs/dbraw/zinc/38/10/20/573381020.db2.gz	WSHHDKVWDXSSTN-KXUCPTDWSA-N	0	0	168.280	3.038	10	0		AGAERN
COc1ccc2cc(C)[nH]c2c1Cl	238373556	573381036	/nfs/dbraw/zinc/38/10/36/573381036.db2.gz	XXCMXRSDNDBROB-UHFFFAOYSA-N	0	0	195.649	3.138	10	0		AGAERN
CC(=O)[C@H](C)C1C[C@@H](C)C[C@H](C)C1	86353386	573381052	/nfs/dbraw/zinc/38/10/52/573381052.db2.gz	TXTDENQVDOKZOW-GUBZILKMSA-N	0	0	182.307	3.284	10	0		AGAERN
CC[C@@H]1CCC(=O)[C@H](C(C)C)C1	86355474	573381066	/nfs/dbraw/zinc/38/10/66/573381066.db2.gz	VEHMRVZNGGCUET-ZJUUUORDSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)[C@H](C)C1C[C@H](C)C[C@@H](C)C1	86353388	573381089	/nfs/dbraw/zinc/38/10/89/573381089.db2.gz	TXTDENQVDOKZOW-BBBLOLIVSA-N	0	0	182.307	3.284	10	0		AGAERN
CC1CCC(CC(=O)C(C)C)CC1	86353191	573381102	/nfs/dbraw/zinc/38/11/02/573381102.db2.gz	NGBHQGXTIXSPFA-UHFFFAOYSA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@H]1CCC(=O)[C@H](C2CCCC2)C1	86354858	573381108	/nfs/dbraw/zinc/38/11/08/573381108.db2.gz	KZDKYOAFSOHWBL-ONGXEEELSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@H]1CCC(=O)[C@H](CC2CC2)C1	86355271	573381137	/nfs/dbraw/zinc/38/11/37/573381137.db2.gz	OLICSVDPTLUPDE-ONGXEEELSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1cnc(-c2cccc(F)c2)s1	118024059	573381147	/nfs/dbraw/zinc/38/11/47/573381147.db2.gz	XRQPINWNJCPZAA-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
CC[C@H](C)[C@H]1Cc2ccccc2C1=O	86354396	573381195	/nfs/dbraw/zinc/38/11/95/573381195.db2.gz	FANIXINFBJLLKB-JOYOIKCWSA-N	0	0	188.270	3.088	10	0		AGAERN
CC/C=C/[C@@H](O)c1ccc(Cl)cc1	117998469	573382488	/nfs/dbraw/zinc/38/24/88/573382488.db2.gz	QNUNLPOCNYOTKX-PGLGOXFNSA-N	0	0	196.677	3.340	10	0		AGAERN
CC(C)C(=O)C[C@H]1CCC[C@@H](C)C1	86353192	573381716	/nfs/dbraw/zinc/38/17/16/573381716.db2.gz	LRLSWXCVHMAMDH-MNOVXSKESA-N	0	0	182.307	3.428	10	0		AGAERN
CCC[C@@H]1CCC(=O)[C@@H](C(C)C)C1	86355721	573381765	/nfs/dbraw/zinc/38/17/65/573381765.db2.gz	FJCKUVAPQSLPQH-GHMZBOCLSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H](C(C)=O)C1CCC(C)CC1	86353849	573382579	/nfs/dbraw/zinc/38/25/79/573382579.db2.gz	CIHONTUHOUHVCA-NHNAUAITSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(=O)C[C@@H]1CC[C@@H](C)[C@H](C)C1	86353038	573381848	/nfs/dbraw/zinc/38/18/48/573381848.db2.gz	GPFRYHWDEGEGKQ-GMTAPVOTSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H](C)[C@@H]1Cc2ccccc2C1=O	86354390	573381951	/nfs/dbraw/zinc/38/19/51/573381951.db2.gz	FANIXINFBJLLKB-SKDRFNHKSA-N	0	0	188.270	3.088	10	0		AGAERN
CC(=O)[C@H](C)[C@H]1CCC[C@H](C)C1	86353509	573382106	/nfs/dbraw/zinc/38/21/06/573382106.db2.gz	JATDFUXWJHBFAS-QXEWZRGKSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)C(=O)C[C@@H]1CCC[C@@H](C)C1	86353196	573382160	/nfs/dbraw/zinc/38/21/60/573382160.db2.gz	LRLSWXCVHMAMDH-GHMZBOCLSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H]1CCC(=O)[C@H](CC(F)F)C1	86355384	573382170	/nfs/dbraw/zinc/38/21/70/573382170.db2.gz	APUSCRKQEVVXGL-SFYZADRCSA-N	0	0	190.233	3.037	10	0		AGAERN
C/C=C\CC[NH2+][C@H](C)c1ccc(C)o1	308377852	573382173	/nfs/dbraw/zinc/38/21/73/573382173.db2.gz	CPVSKXILIPOELV-DOGVGXBMSA-N	0	0	193.290	3.205	10	0		AGAERN
C[C@@H]1CCC(=O)[C@@H](CC2CCC2)C1	86354813	573382179	/nfs/dbraw/zinc/38/21/79/573382179.db2.gz	FDOUPXJNUNGQRU-MWLCHTKSSA-N	0	0	180.291	3.182	10	0		AGAERN
CC(C)[C@H]1CCC(=O)[C@@H](CC2CC2)C1	86356135	573382184	/nfs/dbraw/zinc/38/21/84/573382184.db2.gz	FMMQUDLPXLSNHL-RYUDHWBXSA-N	0	0	194.318	3.428	10	0		AGAERN
CCC(=O)C[C@@H]1CCC[C@@H](C)C1	86353027	573382220	/nfs/dbraw/zinc/38/22/20/573382220.db2.gz	GPSHNUPMKOLHLT-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
COc1ccc2cc(Cl)[nH]c2c1C	238374457	573382230	/nfs/dbraw/zinc/38/22/30/573382230.db2.gz	YGFORAALNPWNKH-UHFFFAOYSA-N	0	0	195.649	3.138	10	0		AGAERN
CCC[C@@H]1CCC(=O)[C@H](C(C)C)C1	86355717	573382240	/nfs/dbraw/zinc/38/22/40/573382240.db2.gz	FJCKUVAPQSLPQH-MNOVXSKESA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H]1CCC(=O)[C@@H](CC(F)F)C1	86355392	573382282	/nfs/dbraw/zinc/38/22/82/573382282.db2.gz	APUSCRKQEVVXGL-JGVFFNPUSA-N	0	0	190.233	3.037	10	0		AGAERN
CCC1CCC([C@H](C)C(C)=O)CC1	86353359	573382288	/nfs/dbraw/zinc/38/22/88/573382288.db2.gz	HXIXOTPARUZAJX-OIKLOGQESA-N	0	0	182.307	3.428	10	0		AGAERN
COc1ccccc1[C@H]1CCCS1	238374689	573382372	/nfs/dbraw/zinc/38/23/72/573382372.db2.gz	CBFQKNDGASHFRT-LLVKDONJSA-N	0	0	194.299	3.263	10	0		AGAERN
O=C1CCCC[C@@H]1CCC(F)(F)F	86354221	573382390	/nfs/dbraw/zinc/38/23/90/573382390.db2.gz	BTKFWCBGFNAZAD-SSDOTTSWSA-N	0	0	194.196	3.088	10	0		AGAERN
CC/C=C/[C@H](O)c1ccc(Cl)cc1	117998473	573382405	/nfs/dbraw/zinc/38/24/05/573382405.db2.gz	QNUNLPOCNYOTKX-UFFNRZRYSA-N	0	0	196.677	3.340	10	0		AGAERN
CC(C)C(=O)C[C@@H]1CCC[C@H](C)C1	86353198	573382416	/nfs/dbraw/zinc/38/24/16/573382416.db2.gz	LRLSWXCVHMAMDH-WDEREUQCSA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@H]1CCC(=O)[C@@H](CCC2CC2)C1	86354929	573382448	/nfs/dbraw/zinc/38/24/48/573382448.db2.gz	CNCMSDONHDXKQT-ONGXEEELSA-N	0	0	180.291	3.182	10	0		AGAERN
CCC[C@H]1CCC(=O)[C@@H](C(C)C)C1	86355723	573382453	/nfs/dbraw/zinc/38/24/53/573382453.db2.gz	FJCKUVAPQSLPQH-WDEREUQCSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H]1CCC(=O)[C@@H](C(C)C)C1	86355478	573382481	/nfs/dbraw/zinc/38/24/81/573382481.db2.gz	VEHMRVZNGGCUET-NXEZZACHSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@H](C)[C@@H]1C[C@H](CC)CCC1=O	86355293	573382965	/nfs/dbraw/zinc/38/29/65/573382965.db2.gz	PGSINTZTOYWZAW-AXFHLTTASA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H]1CCC(=O)[C@@H](CC2CC2)C1	86355276	573383040	/nfs/dbraw/zinc/38/30/40/573383040.db2.gz	OLICSVDPTLUPDE-GXSJLCMTSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1cnc(-c2ccc(F)cc2)s1	118002594	573383089	/nfs/dbraw/zinc/38/30/89/573383089.db2.gz	BWTLLNWAMODKKR-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
CC[C@@](O)(c1ccccc1C)C1CC1	83058594	573383791	/nfs/dbraw/zinc/38/37/91/573383791.db2.gz	FIAKVMOBRLTXDL-ZDUSSCGKSA-N	0	0	190.286	3.003	10	0		AGAERN
C/C=C/C[C@@H](O)c1ccc(Cl)cc1	118015888	573383412	/nfs/dbraw/zinc/38/34/12/573383412.db2.gz	BGXQLIRULLBJQK-KXMPLOMGSA-N	0	0	196.677	3.340	10	0		AGAERN
CC[C@](O)(C1CC1)[C@@H]1CCC[C@H](C)C1	83058571	573383599	/nfs/dbraw/zinc/38/35/99/573383599.db2.gz	PGOZBXCMCHKGBR-UHTWSYAYSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)[C@H]([C@H]1CCC[C@@H](C)C1)[C@@H](C)O	86362848	573390160	/nfs/dbraw/zinc/39/01/60/573390160.db2.gz	FZOFWNLLBOFQLN-NDBYEHHHSA-N	0	0	198.350	3.466	10	0		AGAERN
C[C@H]1C[C@@H](C[C@H](O)C2CC2)CC[C@H]1C	86363086	573390167	/nfs/dbraw/zinc/39/01/67/573390167.db2.gz	XRIANYGVXVPVJR-BLFANLJRSA-N	0	0	196.334	3.220	10	0		AGAERN
CC(C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O	86362003	573390186	/nfs/dbraw/zinc/39/01/86/573390186.db2.gz	XUXDMMANSXOHJM-WOPDTQHZSA-N	0	0	198.350	3.466	10	0		AGAERN
CC[C@H](C)[C@@H]1C[C@H](CC)CC[C@@H]1O	86361749	573390232	/nfs/dbraw/zinc/39/02/32/573390232.db2.gz	IXDKFSPQJWRLEE-USZNOCQGSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@H]1CC(C[C@H](O)C2CC2)C[C@H](C)C1	86363322	573390283	/nfs/dbraw/zinc/39/02/83/573390283.db2.gz	WHGHMZUCRFEPHZ-BREBYQMCSA-N	0	0	196.334	3.220	10	0		AGAERN
CC(C)[C@@H]1CC[C@H](O)[C@H](CC2CC2)C1	86362404	573390357	/nfs/dbraw/zinc/39/03/57/573390357.db2.gz	WORHKAUZNZRRGO-UPJWGTAASA-N	0	0	196.334	3.220	10	0		AGAERN
C[C@@H]1c2ccc(F)cc2NC1(C)C	258310265	573390492	/nfs/dbraw/zinc/39/04/92/573390492.db2.gz	VTJBTRVHCOJHCW-SSDOTTSWSA-N	0	0	179.238	3.133	10	0		AGAERN
CSc1ccc2c(c1)N[C@@H](C)CC2	238378638	573390543	/nfs/dbraw/zinc/39/05/43/573390543.db2.gz	NVSNYGJSHUZWQB-QMMMGPOBSA-N	0	0	193.315	3.155	10	0		AGAERN
CC(C)=CC[C@]1(C)CCC=C(C)[C@H]1O	118240090	573390544	/nfs/dbraw/zinc/39/05/44/573390544.db2.gz	LOZUYPGXBGFLIN-OLZOCXBDSA-N	0	0	194.318	3.450	10	0		AGAERN
CC[C@@H](O)[C@H](C)C1CCC(C)CC1	86363567	573390545	/nfs/dbraw/zinc/39/05/45/573390545.db2.gz	NHZGBJZGFCPPHH-RUJICJSRSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@@H](C)c1ccc(C=O)s1	107162214	573392264	/nfs/dbraw/zinc/39/22/64/573392264.db2.gz	FAODLBCTPUURRG-SSDOTTSWSA-N	0	0	168.261	3.074	10	0		AGAERN
CSc1ccc2c(c1)SCCC2	238378187	573392518	/nfs/dbraw/zinc/39/25/18/573392518.db2.gz	SPQZBLUDMCBBFV-UHFFFAOYSA-N	0	0	196.340	3.447	10	0		AGAERN
CC[C@H](C)c1ccc(C=O)s1	107162216	573392527	/nfs/dbraw/zinc/39/25/27/573392527.db2.gz	FAODLBCTPUURRG-ZETCQYMHSA-N	0	0	168.261	3.074	10	0		AGAERN
CC[C@@H](C)[C@@H](O)C1CCCCCC1	86388444	573392613	/nfs/dbraw/zinc/39/26/13/573392613.db2.gz	WBICBFVNCREHNC-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CC1(C)C[C@@H]2C=CCC[C@H](O)C[C@@H]2C1	308569829	573392809	/nfs/dbraw/zinc/39/28/09/573392809.db2.gz	DDVIYHMHZXIGRV-TUAOUCFPSA-N	0	0	194.318	3.140	10	0		AGAERN
CC[C@H](C)[C@@]1(O)CCCC[C@@H]1CC	86388227	573392879	/nfs/dbraw/zinc/39/28/79/573392879.db2.gz	SCRVPMYJDUULCT-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
C/C=C(\C)[C@H](C)[C@@H](O)c1ccccc1	308573734	573397854	/nfs/dbraw/zinc/39/78/54/573397854.db2.gz	GFURWWSAHSOTNA-XZCZDBQJSA-N	0	0	190.286	3.322	10	0		AGAERN
C[C@@H](c1ccccn1)[Si](C)(C)C	238385806	573397346	/nfs/dbraw/zinc/39/73/46/573397346.db2.gz	QHJMYQLXNVGGLS-VIFPVBQESA-N	0	0	179.339	3.063	10	0		AGAERN
CSc1cccc2c1N[C@@H](C)CC2	238385724	573397387	/nfs/dbraw/zinc/39/73/87/573397387.db2.gz	QJRIKWHVZMIFEW-QMMMGPOBSA-N	0	0	193.315	3.155	10	0		AGAERN
CC[C@H](C)[C@]1(O)C[C@H](C)CC[C@@H]1C	86388293	573397438	/nfs/dbraw/zinc/39/74/38/573397438.db2.gz	FLWVWCIOEVJBGF-NOOOWODRSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H](C)[C@](C)(O)c1sccc1C	86388165	573397504	/nfs/dbraw/zinc/39/75/04/573397504.db2.gz	BPJKGAUZPUJQGQ-ONGXEEELSA-N	0	0	198.331	3.310	10	0		AGAERN
CC[C@H](C)[C@@]1(O)CCCC[C@H]1CC	86388225	573397551	/nfs/dbraw/zinc/39/75/51/573397551.db2.gz	SCRVPMYJDUULCT-TUAOUCFPSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC1CCC(O)([C@H](C)CC)CC1	86387684	573397681	/nfs/dbraw/zinc/39/76/81/573397681.db2.gz	CCFKDUCLKCSQJZ-VOMCLLRMSA-N	0	0	184.323	3.364	10	0		AGAERN
COc1ccc2sccc2c1C	238386682	573397684	/nfs/dbraw/zinc/39/76/84/573397684.db2.gz	ZFRANKHCSDVNAK-UHFFFAOYSA-N	0	0	178.256	3.218	10	0		AGAERN
C[C@@H](c1ccccc1O)[Si](C)(C)C	238385722	573397725	/nfs/dbraw/zinc/39/77/25/573397725.db2.gz	ZWEZICXAEPQNDM-VIFPVBQESA-N	0	0	194.350	3.373	10	0		AGAERN
CC(=O)Cc1ccccc1C1CCC1	107173947	573397726	/nfs/dbraw/zinc/39/77/26/573397726.db2.gz	XEBKQLXTCJOJRC-UHFFFAOYSA-N	0	0	188.270	3.086	10	0		AGAERN
CC[C@H](C)[C@]1(O)CCCC[C@H]1CC	86388229	573397764	/nfs/dbraw/zinc/39/77/64/573397764.db2.gz	SCRVPMYJDUULCT-QJPTWQEYSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@H](c1ccccc1N)C(C)(C)C	238385662	573397770	/nfs/dbraw/zinc/39/77/70/573397770.db2.gz	KRQXXQJDYNIYNW-VIFPVBQESA-N	0	0	177.291	3.418	10	0		AGAERN
CC[C@H](O)[C@@H](C)CCC=C(C)C	33506083	573409507	/nfs/dbraw/zinc/40/95/07/573409507.db2.gz	OLPJEGSRSMHTIA-QWRGUYRKSA-N	0	0	170.296	3.140	10	0		AGAERN
CS[C@@H]1CCCc2ccccc2N1	238389891	573408989	/nfs/dbraw/zinc/40/89/89/573408989.db2.gz	SYRHFSXOKNMPEI-LLVKDONJSA-N	0	0	193.315	3.124	10	0		AGAERN
CCCCCC1=C(C)C[C@@H](C)[C@H]1O	238189126	573409081	/nfs/dbraw/zinc/40/90/81/573409081.db2.gz	MYOJWUXIEMPSJG-ZYHUDNBSSA-N	0	0	182.307	3.284	10	0		AGAERN
CC[C@@H](O)[C@@H](C)CCC=C(C)C	33506082	573409119	/nfs/dbraw/zinc/40/91/19/573409119.db2.gz	OLPJEGSRSMHTIA-WDEREUQCSA-N	0	0	170.296	3.140	10	0		AGAERN
CCCCc1ccc(N)c(Cl)c1	78279262	573410928	/nfs/dbraw/zinc/41/09/28/573410928.db2.gz	SBQLTYQXDUMEPE-UHFFFAOYSA-N	0	0	183.682	3.265	10	0		AGAERN
CC[C@H](O)[C@H](C)CCC=C(C)C	33506085	573410305	/nfs/dbraw/zinc/41/03/05/573410305.db2.gz	OLPJEGSRSMHTIA-MNOVXSKESA-N	0	0	170.296	3.140	10	0		AGAERN
CCc1cc2cc(C)cc(O)c2o1	118486054	573410482	/nfs/dbraw/zinc/41/04/82/573410482.db2.gz	GDXWTQNTICYDQK-UHFFFAOYSA-N	0	0	176.215	3.009	10	0		AGAERN
Cc1cc(C)c2c(c1)[C@]1(CN2)C[C@@H]1C	235591253	573410606	/nfs/dbraw/zinc/41/06/06/573410606.db2.gz	QGTDYXVIDLNHHW-GWCFXTLKSA-N	0	0	187.286	3.007	10	0		AGAERN
CSc1cccc(CC2CC2)c1O	238382690	573410768	/nfs/dbraw/zinc/41/07/68/573410768.db2.gz	PQTJRBXGFHDOQF-UHFFFAOYSA-N	0	0	194.299	3.067	10	0		AGAERN
CCn1c(Cl)cnc1C1CCCC1	258494373	573410771	/nfs/dbraw/zinc/41/07/71/573410771.db2.gz	JNCVUSJWYLYCLJ-UHFFFAOYSA-N	0	0	198.697	3.214	10	0		AGAERN
C[C@@H](c1ccccc1)c1cc[nH]c1	238384973	573417638	/nfs/dbraw/zinc/41/76/38/573417638.db2.gz	VHCWMWISPUMBCA-JTQLQIEISA-N	0	0	171.243	3.167	10	0		AGAERN
CCCCC/C=C\[C@@H]1C=C[C@@H](O)CC1	308579597	573417768	/nfs/dbraw/zinc/41/77/68/573417768.db2.gz	JCOAUXFBNYERSA-ZSBJFDRYSA-N	0	0	194.318	3.450	10	0		AGAERN
CCCCC/C=C/[C@@H]1C=C[C@@H](O)CC1	308579594	573417961	/nfs/dbraw/zinc/41/79/61/573417961.db2.gz	JCOAUXFBNYERSA-AMRKSYTLSA-N	0	0	194.318	3.450	10	0		AGAERN
CC[C@@](C)(O)c1cc(C)c(C)cc1C	83138386	573421998	/nfs/dbraw/zinc/42/19/98/573421998.db2.gz	SHOFOHPDKZAUMY-CYBMUJFWSA-N	0	0	192.302	3.229	10	0		AGAERN
C[C@H]1C[C@@H](C)c2sccc2N1	258024267	573422057	/nfs/dbraw/zinc/42/20/57/573422057.db2.gz	OHLUIBDBPKBLGU-RQJHMYQMSA-N	0	0	167.277	3.056	10	0		AGAERN
CC[C@@H](C)COc1cc(C)ccc1N	50423240	573421796	/nfs/dbraw/zinc/42/17/96/573421796.db2.gz	NFAGTZMJYIREEG-SECBINFHSA-N	0	0	193.290	3.002	10	0		AGAERN
CCC(CC)(CO)C1CCCCC1	129993307	573421805	/nfs/dbraw/zinc/42/18/05/573421805.db2.gz	YRDYJOJEVFUZSV-UHFFFAOYSA-N	0	0	184.323	3.365	10	0		AGAERN
Cc1cc(C)c([C@@H](O)C2CC2)cc1C	83138525	573421831	/nfs/dbraw/zinc/42/18/31/573421831.db2.gz	JXSUCEJQMFWEFI-ZDUSSCGKSA-N	0	0	190.286	3.055	10	0		AGAERN
CC[C@H](C)COc1ccc(NC)cc1	50427694	573421919	/nfs/dbraw/zinc/42/19/19/573421919.db2.gz	QZEIJFZQNDIYTN-JTQLQIEISA-N	0	0	193.290	3.153	10	0		AGAERN
CC/C(C)=C/C/C=C(\C)CCO	238209457	573426289	/nfs/dbraw/zinc/42/62/89/573426289.db2.gz	JICPKBYXLZKWOC-JMQWPVDRSA-N	0	0	168.280	3.062	10	0		AGAERN
Cc1ccc2cc(C)c(C)c(O)c2c1	144162060	573426296	/nfs/dbraw/zinc/42/62/96/573426296.db2.gz	MRCIDNRPRZPJKP-UHFFFAOYSA-N	0	0	186.254	3.471	10	0		AGAERN
CS[C@H](C)c1cccc(C)c1O	238392940	573430558	/nfs/dbraw/zinc/43/05/58/573430558.db2.gz	PAADALIIOFQJGW-MRVPVSSYSA-N	0	0	182.288	3.125	10	0		AGAERN
CC(C)c1cc(C=O)oc1C(C)C	118826286	573430584	/nfs/dbraw/zinc/43/05/84/573430584.db2.gz	MNSFLUSWSAAOHD-UHFFFAOYSA-N	0	0	180.247	3.339	10	0		AGAERN
CC1=NC(C2CCC2)SC1=S	259449019	573430442	/nfs/dbraw/zinc/43/04/42/573430442.db2.gz	XNAKXCPHQVYKIL-UHFFFAOYSA-N	0	0	185.317	3.008	10	0		AGAERN
CCC[C@@H](O)Cc1c(C)cccc1C	126256741	573442121	/nfs/dbraw/zinc/44/21/21/573442121.db2.gz	FBRYYNGQSFNUOM-GFCCVEGCSA-N	0	0	192.302	3.007	10	0		AGAERN
C=CC1=C(C)CC[C@@]1(C)[C@H](C)CCO	308586862	573444893	/nfs/dbraw/zinc/44/48/93/573444893.db2.gz	MQTWQRHHVIKITN-YPMHNXCESA-N	0	0	194.318	3.308	10	0		AGAERN
Fc1ccc2c(c1)NCC21CCCC1	107252753	573444957	/nfs/dbraw/zinc/44/49/57/573444957.db2.gz	VHXCJIBTHPSWCL-UHFFFAOYSA-N	0	0	191.249	3.063	10	0		AGAERN
FC(F)c1ccc2[nH]ccc2c1	107256325	573445313	/nfs/dbraw/zinc/44/53/13/573445313.db2.gz	OKAMMYAHLWEFBP-UHFFFAOYSA-N	0	0	167.158	3.106	10	0		AGAERN
CC(=O)c1ccc(C(C)(C)CF)cc1	257816323	573445467	/nfs/dbraw/zinc/44/54/67/573445467.db2.gz	DHUYOZZLIOVYED-UHFFFAOYSA-N	0	0	194.249	3.136	10	0		AGAERN
CCC[C@H](O)Cc1c(C)cccc1C	126256511	573445478	/nfs/dbraw/zinc/44/54/78/573445478.db2.gz	FBRYYNGQSFNUOM-LBPRGKRZSA-N	0	0	192.302	3.007	10	0		AGAERN
CC(F)(F)c1ccc2c(c1)NCCC2	107256101	573445588	/nfs/dbraw/zinc/44/55/88/573445588.db2.gz	QRRUUARBEZUECY-UHFFFAOYSA-N	0	0	197.228	3.156	10	0		AGAERN
C[C@@H](F)c1ccc2c(c1)CCCN2	107257425	573453367	/nfs/dbraw/zinc/45/33/67/573453367.db2.gz	MEVVFWZLQJJHEB-MRVPVSSYSA-N	0	0	179.238	3.075	10	0		AGAERN
Cc1ccc(OC(C)(C)C)c(F)c1	215550031	573453487	/nfs/dbraw/zinc/45/34/87/573453487.db2.gz	KOCMHVPPGNDLRT-UHFFFAOYSA-N	0	0	182.238	3.311	10	0		AGAERN
CCc1c(F)cccc1C(F)(F)F	142533277	573453591	/nfs/dbraw/zinc/45/35/91/573453591.db2.gz	HCWVTNUTBUTLBV-UHFFFAOYSA-N	0	0	192.155	3.407	10	0		AGAERN
Cc1cnc(Cl)c2c(F)cccc12	142507752	573453644	/nfs/dbraw/zinc/45/36/44/573453644.db2.gz	YKPBIBBOWLOKJP-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
C[C@@H](F)c1ccc2c(c1)NCCC2	107257260	573453852	/nfs/dbraw/zinc/45/38/52/573453852.db2.gz	JNNAADGRENLWTI-MRVPVSSYSA-N	0	0	179.238	3.075	10	0		AGAERN
CC[C@@]1(C)Nc2c(O)cccc2[C@H]1C	258365819	573458897	/nfs/dbraw/zinc/45/88/97/573458897.db2.gz	ZNSRXOIBRKJBMK-PRHODGIISA-N	0	0	191.274	3.090	10	0		AGAERN
CC[C@]1(C)Nc2c(O)cccc2[C@H]1C	258365817	573458908	/nfs/dbraw/zinc/45/89/08/573458908.db2.gz	ZNSRXOIBRKJBMK-PELKAZGASA-N	0	0	191.274	3.090	10	0		AGAERN
COc1cc2cc(Cl)[nH]c2cc1C	238403672	573458284	/nfs/dbraw/zinc/45/82/84/573458284.db2.gz	AKUFJWSPPVAVSH-UHFFFAOYSA-N	0	0	195.649	3.138	10	0		AGAERN
CC(=O)[C@@H](F)CC1CCCCCC1	257813992	573458351	/nfs/dbraw/zinc/45/83/51/573458351.db2.gz	CHAMVRTYNKUHLT-NSHDSACASA-N	0	0	186.270	3.274	10	0		AGAERN
CCc1nc(Cl)c(Cl)cc1C	257814231	573458390	/nfs/dbraw/zinc/45/83/90/573458390.db2.gz	CMDXXKOLOYAYPZ-UHFFFAOYSA-N	0	0	190.073	3.259	10	0		AGAERN
O[C@H]1CCCCCC[C@@H]1c1ccco1	142669268	573458424	/nfs/dbraw/zinc/45/84/24/573458424.db2.gz	XGISGSYSANZOGK-QWRGUYRKSA-N	0	0	194.274	3.078	10	0		AGAERN
CC(=O)c1ccc2c(c1)CCC[C@H]2F	107267267	573458601	/nfs/dbraw/zinc/45/86/01/573458601.db2.gz	HJOKCNVEEAEOCK-GFCCVEGCSA-N	0	0	192.233	3.236	10	0		AGAERN
CC(=O)CC[C@@]1(C)CCC=C1C	142678723	573458784	/nfs/dbraw/zinc/45/87/84/573458784.db2.gz	FJXCDFSRZLXRTG-LLVKDONJSA-N	0	0	166.264	3.102	10	0		AGAERN
CCCCCC[C@H](O)[C@@H]1[C@H]2CCC[C@H]21	238225302	573459680	/nfs/dbraw/zinc/45/96/80/573459680.db2.gz	FKMFKKMAJVEURO-QNWHQSFQSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@H](O)c1csc2cc(F)ccc12	258032711	573459764	/nfs/dbraw/zinc/45/97/64/573459764.db2.gz	ZIMOJRKVTAAPAI-LURJTMIESA-N	0	0	196.246	3.094	10	0		AGAERN
COc1cc2cc(C)[nH]c2c(C)c1C	238403361	573459977	/nfs/dbraw/zinc/45/99/77/573459977.db2.gz	YKTQOLUQYNLICL-UHFFFAOYSA-N	0	0	189.258	3.102	10	0		AGAERN
C[C@@H](O)c1csc2cc(F)ccc12	258032715	573459999	/nfs/dbraw/zinc/45/99/99/573459999.db2.gz	ZIMOJRKVTAAPAI-ZCFIWIBFSA-N	0	0	196.246	3.094	10	0		AGAERN
O[C@H]1CCCCCC[C@H]1c1ccco1	142669046	573460181	/nfs/dbraw/zinc/46/01/81/573460181.db2.gz	XGISGSYSANZOGK-MNOVXSKESA-N	0	0	194.274	3.078	10	0		AGAERN
CSc1c(O)cccc1C(C)(C)C	238402536	573460202	/nfs/dbraw/zinc/46/02/02/573460202.db2.gz	LVUNYSCXMGABES-UHFFFAOYSA-N	0	0	196.315	3.412	10	0		AGAERN
Oc1ccc(Cl)c(C(F)F)c1F	257815145	573460993	/nfs/dbraw/zinc/46/09/93/573460993.db2.gz	CVLOWVRJNDPAGS-UHFFFAOYSA-N	0	0	196.555	3.122	10	0		AGAERN
C[C@@H]1C[C@@H](C)c2ccc(F)cc2N1	257815419	573461047	/nfs/dbraw/zinc/46/10/47/573461047.db2.gz	CTXFQQTWXKJPLZ-HTQZYQBOSA-N	0	0	179.238	3.133	10	0		AGAERN
C[C@H]1C[C@@H](C)c2ccc(F)cc2N1	257815424	573461123	/nfs/dbraw/zinc/46/11/23/573461123.db2.gz	CTXFQQTWXKJPLZ-SFYZADRCSA-N	0	0	179.238	3.133	10	0		AGAERN
O=Cc1ccc(C2CC(F)(F)C2)cc1	107270281	573461256	/nfs/dbraw/zinc/46/12/56/573461256.db2.gz	ZIOQQZRKHRMAQM-UHFFFAOYSA-N	0	0	196.196	3.012	10	0		AGAERN
CC(C)c1cncc2cc(C=O)ccc12	258032984	573461286	/nfs/dbraw/zinc/46/12/86/573461286.db2.gz	PIMBOFJPECNRFS-UHFFFAOYSA-N	0	0	199.253	3.171	10	0		AGAERN
O=Cc1ccc(C(F)F)cc1Cl	107267891	573461332	/nfs/dbraw/zinc/46/13/32/573461332.db2.gz	ZNHLJLWAHXHSTF-UHFFFAOYSA-N	0	0	190.576	3.090	10	0		AGAERN
Nc1ccccc1[C@@H]1CCCC1(F)F	107278024	573467644	/nfs/dbraw/zinc/46/76/44/573467644.db2.gz	XXINVQAXIMAFPI-VIFPVBQESA-N	0	0	197.228	3.172	10	0		AGAERN
CC(C)(C)[C@@H](F)c1ccccc1N	107278005	573467698	/nfs/dbraw/zinc/46/76/98/573467698.db2.gz	YBZCJDFULLERGW-JTQLQIEISA-N	0	0	181.254	3.326	10	0		AGAERN
CC(C)(C)[C@H](F)c1ccccc1N	107278002	573467124	/nfs/dbraw/zinc/46/71/24/573467124.db2.gz	YBZCJDFULLERGW-SNVBAGLBSA-N	0	0	181.254	3.326	10	0		AGAERN
CC(C)(C)C(F)(F)c1cccc(N)c1	107277541	573467127	/nfs/dbraw/zinc/46/71/27/573467127.db2.gz	CZYSOGOLSNMYGV-UHFFFAOYSA-N	0	0	199.244	3.407	10	0		AGAERN
Nc1cccc([C@H]2CCCC[C@H]2F)c1	107277592	573467140	/nfs/dbraw/zinc/46/71/40/573467140.db2.gz	LEAOTCGKORFFPL-VXGBXAGGSA-N	0	0	193.265	3.265	10	0		AGAERN
CC(C)(C)[C@H](F)c1ccc(N)cc1	107277096	573467226	/nfs/dbraw/zinc/46/72/26/573467226.db2.gz	VZQCLLUVTAMDTH-SNVBAGLBSA-N	0	0	181.254	3.326	10	0		AGAERN
Oc1ccc([C@@H]2CCCC[C@H]2F)cc1	107278564	573467295	/nfs/dbraw/zinc/46/72/95/573467295.db2.gz	VZAWKKBCHKIEIB-NWDGAFQWSA-N	0	0	194.249	3.388	10	0		AGAERN
Nc1ccc([C@H]2CCCC[C@@H]2F)cc1	107277143	573467562	/nfs/dbraw/zinc/46/75/62/573467562.db2.gz	CPYNRRKCJWQRNO-NEPJUHHUSA-N	0	0	193.265	3.265	10	0		AGAERN
Oc1ccc([C@H]2CCCSC2)cc1	257820715	573472162	/nfs/dbraw/zinc/47/21/62/573472162.db2.gz	FWLOWUUISNHCFZ-JTQLQIEISA-N	0	0	194.299	3.003	10	0		AGAERN
CC(=O)c1cccc(C(C)(C)F)c1	107281013	573472215	/nfs/dbraw/zinc/47/22/15/573472215.db2.gz	KDXRLTPFTIFWTP-UHFFFAOYSA-N	0	0	180.222	3.094	10	0		AGAERN
CC[C@@H](C)C[C@H]1Cc2ccccc2N1	83389012	573472317	/nfs/dbraw/zinc/47/23/17/573472317.db2.gz	JMLJGVVZWUWKTI-PWSUYJOCSA-N	0	0	189.302	3.459	10	0		AGAERN
O=Cc1ccc(C(F)(F)C2CC2)cc1	107281167	573472326	/nfs/dbraw/zinc/47/23/26/573472326.db2.gz	RJPLHRFTQRYLCU-UHFFFAOYSA-N	0	0	196.196	3.001	10	0		AGAERN
CC(C)CC[C@@H]1Cc2ccccc2N1	83388972	573472490	/nfs/dbraw/zinc/47/24/90/573472490.db2.gz	QHYSNEBVFCGLGQ-GFCCVEGCSA-N	0	0	189.302	3.459	10	0		AGAERN
Oc1ccc([C@@H]2CCCSC2)cc1	257820717	573472626	/nfs/dbraw/zinc/47/26/26/573472626.db2.gz	FWLOWUUISNHCFZ-SNVBAGLBSA-N	0	0	194.299	3.003	10	0		AGAERN
CC(C)[C@H](F)c1ccc(C=O)cc1	107281161	573472639	/nfs/dbraw/zinc/47/26/39/573472639.db2.gz	DHHOMXWDWCXPHH-NSHDSACASA-N	0	0	180.222	3.166	10	0		AGAERN
CC(=O)c1cccc([C@@H](F)C2CC2)c1	107281033	573472647	/nfs/dbraw/zinc/47/26/47/573472647.db2.gz	WKSLTRVEULNZQQ-LBPRGKRZSA-N	0	0	192.233	3.310	10	0		AGAERN
CC(C)CNc1cccc2[nH]ccc12	83341407	573472751	/nfs/dbraw/zinc/47/27/51/573472751.db2.gz	LKEZVOQNEFCJPA-UHFFFAOYSA-N	0	0	188.274	3.236	10	0		AGAERN
CC(=O)c1ccc([C@@H](F)C2CC2)cc1	107280887	573472774	/nfs/dbraw/zinc/47/27/74/573472774.db2.gz	ORPVHBPBNNPFRG-GFCCVEGCSA-N	0	0	192.233	3.310	10	0		AGAERN
CCC[C@H](c1ccccc1)[C@@H](C)CO	308583091	573472812	/nfs/dbraw/zinc/47/28/12/573472812.db2.gz	KVDOOEAGXHOGPJ-AAEUAGOBSA-N	0	0	192.302	3.199	10	0		AGAERN
CC1CCC([C@@]2(O)CCC[C@@H]2C)CC1	83395205	573480592	/nfs/dbraw/zinc/48/05/92/573480592.db2.gz	ZBNYUOMGMPRMMH-PYNQCMFNSA-N	0	0	196.334	3.364	10	0		AGAERN
CC/C=C(/C)[C@@H](O)CCC(C)C	142858927	573480622	/nfs/dbraw/zinc/48/06/22/573480622.db2.gz	SOVKQCIFRGQAEQ-YAEJEKNGSA-N	0	0	170.296	3.140	10	0		AGAERN
C[C@@H]1CCC[C@]1(O)C1CCCCC1	83395014	573480691	/nfs/dbraw/zinc/48/06/91/573480691.db2.gz	CIHZDQHRFAVCAL-ZYHUDNBSSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1ccc(Nc2ccccn2)cc1	2510459	573480993	/nfs/dbraw/zinc/48/09/93/573480993.db2.gz	CKCDXUMOIWFAQJ-UHFFFAOYSA-N	0	0	184.242	3.134	10	0		AGAERN
CCCCC[C@@H](O)c1coc(C)c1	142889861	573481139	/nfs/dbraw/zinc/48/11/39/573481139.db2.gz	HHSGUUALIZOMSN-LLVKDONJSA-N	0	0	182.263	3.202	10	0		AGAERN
CCn1nc(Cl)c2ccc(C)cc21	257819394	573483507	/nfs/dbraw/zinc/48/35/07/573483507.db2.gz	FIYAXFMHBMXHNS-UHFFFAOYSA-N	0	0	194.665	3.018	10	0		AGAERN
Cc1cc(C)c2c(c1C)CC[C@@H](C)N2	238414961	573483763	/nfs/dbraw/zinc/48/37/63/573483763.db2.gz	FUYVLZADECDFCM-SNVBAGLBSA-N	0	0	189.302	3.358	10	0		AGAERN
Cc1cc(O)c2c(c1C)C[C@H](C)CC2	238415919	573483942	/nfs/dbraw/zinc/48/39/42/573483942.db2.gz	UELDQVLBWSZIQO-MRVPVSSYSA-N	0	0	190.286	3.134	10	0		AGAERN
Cc1cccc2c1N[C@@H](C)CC2(C)C	258046052	573484276	/nfs/dbraw/zinc/48/42/76/573484276.db2.gz	QRTSDEHLPPTFTD-JTQLQIEISA-N	0	0	189.302	3.477	10	0		AGAERN
C[C@H](O)C1(C)CCCCCCC1	238420430	573495582	/nfs/dbraw/zinc/49/55/82/573495582.db2.gz	JXYVUGAACPPVKM-JTQLQIEISA-N	0	0	170.296	3.118	10	0		AGAERN
Cc1cc(-c2c[nH]c3ccccc23)on1	259107622	573495751	/nfs/dbraw/zinc/49/57/51/573495751.db2.gz	FSRRNPFIOYVWHR-UHFFFAOYSA-N	0	0	198.225	3.131	10	0		AGAERN
C[C@H](O)C12CCC(C(C)(C)C)(CC1)C2	238420807	573495755	/nfs/dbraw/zinc/49/57/55/573495755.db2.gz	VSYZRQWNXRHQIF-PKSQDBQZSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@H]1CCC[C@@](O)(C(C)C)CC1	83436427	573503055	/nfs/dbraw/zinc/50/30/55/573503055.db2.gz	DCBXGCADOLNJTR-NEPJUHHUSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H]1CCC[C@](O)(CC)CC1	83436497	573503268	/nfs/dbraw/zinc/50/32/68/573503268.db2.gz	UIKIBJXXLMBUPJ-WDEREUQCSA-N	0	0	170.296	3.118	10	0		AGAERN
Nc1ccccc1[C@H]1CC[C@H]1C(F)F	258048620	573503285	/nfs/dbraw/zinc/50/32/85/573503285.db2.gz	JXJMHZXADOWZKU-VXNVDRBHSA-N	0	0	197.228	3.028	10	0		AGAERN
CCC[C@H]1CCC[C@@](C)(O)CC1	83437975	573503309	/nfs/dbraw/zinc/50/33/09/573503309.db2.gz	UXSFLJITMLOSRA-WDEREUQCSA-N	0	0	170.296	3.118	10	0		AGAERN
Cc1cc(CC(F)(F)F)ccc1F	259479473	573503463	/nfs/dbraw/zinc/50/34/63/573503463.db2.gz	SGQDPMOUUYCQQC-UHFFFAOYSA-N	0	0	192.155	3.239	10	0		AGAERN
CC[C@H]1CCC[C@@](O)(C(C)C)CC1	83436428	573503480	/nfs/dbraw/zinc/50/34/80/573503480.db2.gz	DCBXGCADOLNJTR-RYUDHWBXSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1ccc([C@@]23CC[C@@H](CO2)C3)cc1	258048057	573503509	/nfs/dbraw/zinc/50/35/09/573503509.db2.gz	GSWZEKDFDZRGFZ-YPMHNXCESA-N	0	0	188.270	3.021	10	0		AGAERN
CC[C@@]1(O)CCC[C@@H](C(C)C)CC1	83438081	573503514	/nfs/dbraw/zinc/50/35/14/573503514.db2.gz	LZZLRLYFRAATAU-VXGBXAGGSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H](O)C/C=C/C=C1CCCCC1	238419653	573503533	/nfs/dbraw/zinc/50/35/33/573503533.db2.gz	AQDFCBGRLOZWLO-QRGHLMKCSA-N	0	0	180.291	3.204	10	0		AGAERN
CC(C)[C@]1(O)CCCC(C)(C)CC1	83436536	573503548	/nfs/dbraw/zinc/50/35/48/573503548.db2.gz	WGUNWNVWBXMYIT-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H]1CCC[C@@](O)(CC)CC1	83436498	573505581	/nfs/dbraw/zinc/50/55/81/573505581.db2.gz	UIKIBJXXLMBUPJ-MNOVXSKESA-N	0	0	170.296	3.118	10	0		AGAERN
CCC[C@@H]1CCC[C@@](C)(O)CC1	83437974	573504869	/nfs/dbraw/zinc/50/48/69/573504869.db2.gz	UXSFLJITMLOSRA-GHMZBOCLSA-N	0	0	170.296	3.118	10	0		AGAERN
C[C@@H]1CCC[C@H](O)c2ccccc21	238419934	573505646	/nfs/dbraw/zinc/50/56/46/573505646.db2.gz	AUKXWMUFCNWEQB-SKDRFNHKSA-N	0	0	176.259	3.007	10	0		AGAERN
CC(C)[C@@]1(O)CCCC(C)(C)CC1	83436537	573504993	/nfs/dbraw/zinc/50/49/93/573504993.db2.gz	WGUNWNVWBXMYIT-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@]1(O)CCC[C@H](C(C)C)CC1	83438079	573505087	/nfs/dbraw/zinc/50/50/87/573505087.db2.gz	LZZLRLYFRAATAU-NWDGAFQWSA-N	0	0	184.323	3.364	10	0		AGAERN
CCOc1ccc2c(ccn2CC)c1	75232526	573505192	/nfs/dbraw/zinc/50/51/92/573505192.db2.gz	ABKFPUIPHJUILW-UHFFFAOYSA-N	0	0	189.258	3.060	10	0		AGAERN
CC[C@@]1(O)CCCC(C)(C)CC1	83436577	573505220	/nfs/dbraw/zinc/50/52/20/573505220.db2.gz	JOAPDQRXVNLTDE-LLVKDONJSA-N	0	0	170.296	3.118	10	0		AGAERN
CCc1ccc2c(ccn2CC)c1	75233152	573505300	/nfs/dbraw/zinc/50/53/00/573505300.db2.gz	IXTDMLKNDDPAAG-UHFFFAOYSA-N	0	0	173.259	3.224	10	0		AGAERN
C[C@@H](O)C(C)(C)/C=C/c1ccccc1	238420192	573505353	/nfs/dbraw/zinc/50/53/53/573505353.db2.gz	XVNFJOKTRGIFTB-PBQZMEPESA-N	0	0	190.286	3.107	10	0		AGAERN
CC[C@]1(O)CCCC(C)(C)CC1	83436576	573505369	/nfs/dbraw/zinc/50/53/69/573505369.db2.gz	JOAPDQRXVNLTDE-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
CC[C@H]1CCC[C@@](O)(CC)CC1	83436499	573507019	/nfs/dbraw/zinc/50/70/19/573507019.db2.gz	UIKIBJXXLMBUPJ-QWRGUYRKSA-N	0	0	170.296	3.118	10	0		AGAERN
COc1csc(C2CCCCC2)n1	259140859	573606797	/nfs/dbraw/zinc/60/67/97/573606797.db2.gz	CYOMDHPCECFZBR-UHFFFAOYSA-N	0	0	197.303	3.199	10	0		AGAERN
CC[C@H]1CCC[C@](O)(C(C)C)CC1	83436425	573506719	/nfs/dbraw/zinc/50/67/19/573506719.db2.gz	DCBXGCADOLNJTR-NWDGAFQWSA-N	0	0	184.323	3.364	10	0		AGAERN
Nc1ccccc1[C@H]1CC[C@@H]1C(F)F	258048605	573506806	/nfs/dbraw/zinc/50/68/06/573506806.db2.gz	JXJMHZXADOWZKU-APPZFPTMSA-N	0	0	197.228	3.028	10	0		AGAERN
C[C@@H]1CC(C)(C)C[C@@H]2C[C@@H](O)CC[C@@H]12	238419406	573506823	/nfs/dbraw/zinc/50/68/23/573506823.db2.gz	UWYGSGVXIVBBKC-RHYQMDGZSA-N	0	0	196.334	3.220	10	0		AGAERN
CC[C@H](C)[C@](C)(O)c1ccsc1	83447536	573508402	/nfs/dbraw/zinc/50/84/02/573508402.db2.gz	HUZIDXSEVIDWGO-WPRPVWTQSA-N	0	0	184.304	3.002	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1csc(C)c1	83448163	573508441	/nfs/dbraw/zinc/50/84/41/573508441.db2.gz	IIUHFQUAPIXYJG-OIBJUYFYSA-N	0	0	184.304	3.136	10	0		AGAERN
CCCn1ccc2cc(F)ccc21	75234144	573508515	/nfs/dbraw/zinc/50/85/15/573508515.db2.gz	QBGOVXRKGOEMBD-UHFFFAOYSA-N	0	0	177.222	3.190	10	0		AGAERN
CC(C)(C)[C@H]1CCC[C@@](C)(O)CC1	83438689	573508550	/nfs/dbraw/zinc/50/85/50/573508550.db2.gz	WBIPPFFEPRVKGX-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)C(=O)c1csc(C)c1	83450186	573508602	/nfs/dbraw/zinc/50/86/02/573508602.db2.gz	OOEQDXDCDPVBEK-ZETCQYMHSA-N	0	0	182.288	3.285	10	0		AGAERN
Cc1cc([C@@H]2CCC[C@H](O)C2)cs1	83454073	573514790	/nfs/dbraw/zinc/51/47/90/573514790.db2.gz	COROPELOEVUJEZ-KOLCDFICSA-N	0	0	196.315	3.075	10	0		AGAERN
CC(=O)CC(C)(C)c1csc(C)c1	83453440	573514836	/nfs/dbraw/zinc/51/48/36/573514836.db2.gz	ABDNWDDOKDHIPK-UHFFFAOYSA-N	0	0	196.315	3.313	10	0		AGAERN
Clc1ncccc1OC1CCCC1	83454917	573514881	/nfs/dbraw/zinc/51/48/81/573514881.db2.gz	CICKDKGDSATXNX-UHFFFAOYSA-N	0	0	197.665	3.056	10	0		AGAERN
CC1=CCC(=C(C)C)C[C@@H]1[C@H](C)O	238422662	573514098	/nfs/dbraw/zinc/51/40/98/573514098.db2.gz	YZPQRQSTPXSGLP-JQWIXIFHSA-N	0	0	180.291	3.060	10	0		AGAERN
CCCC[C@]1(CC)[C@H](O)CC1(C)C	238256287	573514118	/nfs/dbraw/zinc/51/41/18/573514118.db2.gz	YUZZLJCTISSLKH-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
O=C1CCCC[C@H](c2ccsc2)C1	83453414	573514216	/nfs/dbraw/zinc/51/42/16/573514216.db2.gz	LOUQGYXOHJYYCF-VIFPVBQESA-N	0	0	194.299	3.365	10	0		AGAERN
CCO[C@@H](C)O[C@H](C)c1ccccc1	33605378	573514331	/nfs/dbraw/zinc/51/43/31/573514331.db2.gz	VFIWVXFOXFCGOO-GHMZBOCLSA-N	0	0	194.274	3.147	10	0		AGAERN
Cc1cc([C@@H]2CCC(=O)[C@H]2C)cs1	83453474	573514357	/nfs/dbraw/zinc/51/43/57/573514357.db2.gz	JNVUIBRTKMDIGN-WCBMZHEXSA-N	0	0	194.299	3.139	10	0		AGAERN
CC(=O)C[C@@H](C)c1csc(C)c1	83453434	573514432	/nfs/dbraw/zinc/51/44/32/573514432.db2.gz	VQEBABAFSHPHKJ-SSDOTTSWSA-N	0	0	182.288	3.139	10	0		AGAERN
Cc1ccc2oc3[nH]c(C=O)cc3c2c1	259486606	573514523	/nfs/dbraw/zinc/51/45/23/573514523.db2.gz	XSNNSHCHHARJAF-UHFFFAOYSA-N	0	0	199.209	3.035	10	0		AGAERN
C[C@H]1CC[C@H](C)N1/C(Cl)=C/Cl	224237924	573514583	/nfs/dbraw/zinc/51/45/83/573514583.db2.gz	YUFYMENZVFVKNJ-CWOHMAISSA-N	0	0	194.105	3.136	10	0		AGAERN
Cc1cc([C@@H]2CCCC(=O)C2)cs1	83453375	573514587	/nfs/dbraw/zinc/51/45/87/573514587.db2.gz	HMQMPURXEYLPHN-SECBINFHSA-N	0	0	194.299	3.283	10	0		AGAERN
C[C@@H]1CCC[C@H]1c1ccc(O)cc1	238422067	573514606	/nfs/dbraw/zinc/51/46/06/573514606.db2.gz	HMAKLZLLROYJHO-BXKDBHETSA-N	0	0	176.259	3.296	10	0		AGAERN
Cc1cc(C(C)(C)C[C@@H](C)O)cs1	83454139	573514622	/nfs/dbraw/zinc/51/46/22/573514622.db2.gz	DJSSPFOOJYRUAI-MRVPVSSYSA-N	0	0	198.331	3.105	10	0		AGAERN
Cc1cc([C@@H]2CCC(=O)[C@@H]2C)cs1	83453467	573514679	/nfs/dbraw/zinc/51/46/79/573514679.db2.gz	JNVUIBRTKMDIGN-PSASIEDQSA-N	0	0	194.299	3.139	10	0		AGAERN
Nc1occc1-c1cccc(Cl)c1	258057356	573522072	/nfs/dbraw/zinc/52/20/72/573522072.db2.gz	GBXPQAWENOQPJS-UHFFFAOYSA-N	0	0	193.633	3.182	10	0		AGAERN
CCC1(CC(=O)c2ccoc2)CCC1	308607169	573522079	/nfs/dbraw/zinc/52/20/79/573522079.db2.gz	ISUOSNXTCIHAQL-UHFFFAOYSA-N	0	0	192.258	3.433	10	0		AGAERN
C[C@H]1C=Cc2ccccc2[C@H](O)CC1	308612699	573521667	/nfs/dbraw/zinc/52/16/67/573521667.db2.gz	YYLYHEDSQVVROQ-GXFFZTMASA-N	0	0	188.270	3.163	10	0		AGAERN
CCC[C@@H](C)COC(=O)[C@@H](C)CC	33607287	573521716	/nfs/dbraw/zinc/52/17/16/573521716.db2.gz	RVVHHUUVQYONCR-ZJUUUORDSA-N	0	0	186.295	3.012	10	0		AGAERN
CCCCC/C=C/[C@@H]1C=CC[C@@H]1CO	308605867	573521949	/nfs/dbraw/zinc/52/19/49/573521949.db2.gz	WKYQQSWRLUGTCL-ZYARKTQMSA-N	0	0	194.318	3.308	10	0		AGAERN
C[C@]12CC=CC[C@]1(C)C(=O)CCC2	238426154	573523034	/nfs/dbraw/zinc/52/30/34/573523034.db2.gz	CSETZAIGJHUIKV-VXGBXAGGSA-N	0	0	178.275	3.102	10	0		AGAERN
CCCCCOCCc1ccccc1	33610842	573522365	/nfs/dbraw/zinc/52/23/65/573522365.db2.gz	HNIRLTDJIGVHOG-UHFFFAOYSA-N	0	0	192.302	3.436	10	0		AGAERN
C[C@H]1C[C@@H](C2CCCC2)CCC1=O	33610885	573522378	/nfs/dbraw/zinc/52/23/78/573522378.db2.gz	IBGOXTNJMGIEOB-ONGXEEELSA-N	0	0	180.291	3.182	10	0		AGAERN
CCOc1cccc2sccc12	114665126	573522448	/nfs/dbraw/zinc/52/24/48/573522448.db2.gz	FQTPCQNYSGHKEE-UHFFFAOYSA-N	0	0	178.256	3.300	10	0		AGAERN
C[C@H]1C[C@H](C2CCCC2)CCC1=O	33610887	573523042	/nfs/dbraw/zinc/52/30/42/573523042.db2.gz	IBGOXTNJMGIEOB-GXSJLCMTSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1c(O)ccc2c1CCC[C@H]2C	238426023	573522596	/nfs/dbraw/zinc/52/25/96/573522596.db2.gz	HYLUHKSYMLVRGG-MRVPVSSYSA-N	0	0	176.259	3.140	10	0		AGAERN
C[C@@H]1C[C@H](C2CCCC2)CCC1=O	33610886	573522796	/nfs/dbraw/zinc/52/27/96/573522796.db2.gz	IBGOXTNJMGIEOB-MWLCHTKSSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1CCC[C@H]2C[C@@H]2CC1	238425464	573524315	/nfs/dbraw/zinc/52/43/15/573524315.db2.gz	BBFUJUCIDMDKFM-UTLUCORTSA-N	0	0	138.254	3.223	10	0		AGAERN
CCCc1ccc(N)c(OC(C)C)c1	308606736	573523588	/nfs/dbraw/zinc/52/35/88/573523588.db2.gz	WUHLXRCSFSRZHQ-UHFFFAOYSA-N	0	0	193.290	3.009	10	0		AGAERN
COc1ccc2c(c1)[C@@H](C)C[C@@H](C)N2	257826771	573523627	/nfs/dbraw/zinc/52/36/27/573523627.db2.gz	HPMQSGXVIKFUBO-DTWKUNHWSA-N	0	0	191.274	3.003	10	0		AGAERN
C=CC(=O)OC[C@H](C)CCCCCC	33610840	573523728	/nfs/dbraw/zinc/52/37/28/573523728.db2.gz	VISWPKGUIWDFQG-LLVKDONJSA-N	0	0	198.306	3.322	10	0		AGAERN
C[C@@H]1Nc2ccccc2-c2cc[nH]c21	238425870	573524064	/nfs/dbraw/zinc/52/40/64/573524064.db2.gz	SQHFAXWYULXJEN-QMMMGPOBSA-N	0	0	184.242	3.168	10	0		AGAERN
CC1=C(C)[C@H](C)Nc2ccccc2C1	238425010	573524236	/nfs/dbraw/zinc/52/42/36/573524236.db2.gz	JPHNCNHASIISCQ-NSHDSACASA-N	0	0	187.286	3.380	10	0		AGAERN
C[C@]12C=CCC[C@]1(C)C(=O)CCC2	238426174	573527312	/nfs/dbraw/zinc/52/73/12/573527312.db2.gz	LFCCQRZZOAOZIC-VXGBXAGGSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@@H]1CCC[C@]2(C)C(=O)CCC=C12	238425028	573526549	/nfs/dbraw/zinc/52/65/49/573526549.db2.gz	PMCXRSAJFTVUJZ-SKDRFNHKSA-N	0	0	178.275	3.102	10	0		AGAERN
CCC[C@H](C)COC(=O)[C@@H](C)CC	33607289	573526594	/nfs/dbraw/zinc/52/65/94/573526594.db2.gz	RVVHHUUVQYONCR-UWVGGRQHSA-N	0	0	186.295	3.012	10	0		AGAERN
C[C@@H](O)C1=CC2=C(CCCC2)C1(C)C	238425507	573526614	/nfs/dbraw/zinc/52/66/14/573526614.db2.gz	UAMULHUNKJOMLM-SECBINFHSA-N	0	0	192.302	3.204	10	0		AGAERN
C[C@@H]1C=Cc2ccccc2[C@@H](O)CC1	308612700	573526650	/nfs/dbraw/zinc/52/66/50/573526650.db2.gz	YYLYHEDSQVVROQ-MFKMUULPSA-N	0	0	188.270	3.163	10	0		AGAERN
C[C@@H](O)C=C=C1[C@H](C)CCCC1(C)C	238425757	573526742	/nfs/dbraw/zinc/52/67/42/573526742.db2.gz	VBARPHBPSYVOFG-GUJYYOPSSA-N	0	0	194.318	3.295	10	0		AGAERN
Cc1ccc(O)c2c1CCC[C@H]2C	238426104	573526828	/nfs/dbraw/zinc/52/68/28/573526828.db2.gz	DNNRERIXPVSUML-SECBINFHSA-N	0	0	176.259	3.140	10	0		AGAERN
CCCCCC[C@H](O)Cc1ccoc1	130397517	573526843	/nfs/dbraw/zinc/52/68/43/573526843.db2.gz	WYAYMHQYQOLUJF-LBPRGKRZSA-N	0	0	196.290	3.153	10	0		AGAERN
CC(=O)CCCc1c(C)cccc1C	126402538	573526923	/nfs/dbraw/zinc/52/69/23/573526923.db2.gz	VKVFYBBCWCODCK-UHFFFAOYSA-N	0	0	190.286	3.215	10	0		AGAERN
C[C@@]12CCC=C[C@H]1CCCCC2=O	238424847	573527176	/nfs/dbraw/zinc/52/71/76/573527176.db2.gz	WAMQSFGZIUTWDP-ZYHUDNBSSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1=CCCC(C)(C)C1=C=C[C@@H](C)O	238425721	573527193	/nfs/dbraw/zinc/52/71/93/573527193.db2.gz	BEIWSNQUQXDKPR-QHDYGNBISA-N	0	0	192.302	3.215	10	0		AGAERN
CCCCCC[C@@H](O)Cc1ccco1	130398135	573527238	/nfs/dbraw/zinc/52/72/38/573527238.db2.gz	GVRGUXCEERABJW-LLVKDONJSA-N	0	0	196.290	3.153	10	0		AGAERN
CC(/C=C\c1ccccc1)=C\[C@H](C)O	308617338	573542659	/nfs/dbraw/zinc/54/26/59/573542659.db2.gz	BIMKMIFZZBONDF-LKILQSAUSA-N	0	0	188.270	3.027	10	0		AGAERN
CC(/C=C\c1ccccc1)=C/[C@H](C)O	308617344	573542683	/nfs/dbraw/zinc/54/26/83/573542683.db2.gz	BIMKMIFZZBONDF-ZEQFPESWSA-N	0	0	188.270	3.027	10	0		AGAERN
Cc1ccoc1[C@H](C)[NH2+]CCC1CC1	130311025	573542690	/nfs/dbraw/zinc/54/26/90/573542690.db2.gz	WJOLDKYTWYFCRI-JTQLQIEISA-N	0	0	193.290	3.039	10	0		AGAERN
O=Cc1cc(C(F)F)sc1Cl	257825246	573542777	/nfs/dbraw/zinc/54/27/77/573542777.db2.gz	HBRFEAJANZZDIP-UHFFFAOYSA-N	0	0	196.605	3.152	10	0		AGAERN
Cc1ccc([C@H](C)F)cc1[C@H](C)CO	258056503	573541980	/nfs/dbraw/zinc/54/19/80/573541980.db2.gz	LCYPFLSYIKIRFX-ZJUUUORDSA-N	0	0	196.265	3.121	10	0		AGAERN
CC[C@@H](C)CNc1nc(C)c(C)s1	83532898	573542004	/nfs/dbraw/zinc/54/20/04/573542004.db2.gz	AYKJJSFIMFFAIC-SSDOTTSWSA-N	0	0	198.335	3.218	10	0		AGAERN
Cc1cc(-c2coc3ccccc23)n[nH]1	259105583	573542420	/nfs/dbraw/zinc/54/24/20/573542420.db2.gz	QMIQJSFJGVPBFE-UHFFFAOYSA-N	0	0	198.225	3.131	10	0		AGAERN
C[C@@H]1CCC(=O)[C@]2(C)CCCC=C12	238435969	573544910	/nfs/dbraw/zinc/54/49/10/573544910.db2.gz	VSIKBIIVMZXJSK-BXKDBHETSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@@H]1CCC(=O)[C@@]2(C)CCCC=C12	238435238	573544297	/nfs/dbraw/zinc/54/42/97/573544297.db2.gz	VSIKBIIVMZXJSK-SKDRFNHKSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@@H](C)C[C@@H](CC)Nc1c[nH]cn1	308618918	573544419	/nfs/dbraw/zinc/54/44/19/573544419.db2.gz	SLOBJOMIZFRXQL-NXEZZACHSA-N	0	0	195.310	3.036	10	0		AGAERN
Nc1cc[nH+]c(C2CCCCCC2)c1	257825297	573544587	/nfs/dbraw/zinc/54/45/87/573544587.db2.gz	HDPOBAXPEAUEEX-UHFFFAOYSA-N	0	0	190.290	3.102	10	0		AGAERN
CC1(C)CC=CCCCCC=C[C@H]1O	308627376	573544693	/nfs/dbraw/zinc/54/46/93/573544693.db2.gz	OQKOTJQDWSTWJI-GFCCVEGCSA-N	0	0	194.318	3.450	10	0		AGAERN
CCCCC1=C2CCC[C@H]2C[C@H]1CO	39112410	573544826	/nfs/dbraw/zinc/54/48/26/573544826.db2.gz	GTMAKBDZEASVDE-QWRGUYRKSA-N	0	0	194.318	3.286	10	0		AGAERN
CC1=C2CC(C)(C)CC2=C[C@H](O)CC1	223139383	573555824	/nfs/dbraw/zinc/55/58/24/573555824.db2.gz	FZXYMDGULDJAGM-LLVKDONJSA-N	0	0	192.302	3.204	10	0		AGAERN
Cc1c(N)cc(Cl)c2sccc12	75397106	573555869	/nfs/dbraw/zinc/55/58/69/573555869.db2.gz	FWZZJWFBRNQZDA-UHFFFAOYSA-N	0	0	197.690	3.445	10	0		AGAERN
CC1=C2CC(C)(C)CC2=C[C@@H](O)CC1	223139437	573555933	/nfs/dbraw/zinc/55/59/33/573555933.db2.gz	FZXYMDGULDJAGM-NSHDSACASA-N	0	0	192.302	3.204	10	0		AGAERN
CC(C)(C)Cc1ccc(C=O)s1	75386886	573555948	/nfs/dbraw/zinc/55/59/48/573555948.db2.gz	CCCWDZLGGLHOIN-UHFFFAOYSA-N	0	0	182.288	3.149	10	0		AGAERN
C[C@@H]1CC[C@@H](C)C(C)(C)[C@@H]1CCCO	238438566	573556127	/nfs/dbraw/zinc/55/61/27/573556127.db2.gz	FIVFVXPBUNZPDV-IJLUTSLNSA-N	0	0	198.350	3.467	10	0		AGAERN
Nc1c(Cl)ccc2sccc12	75397097	573556152	/nfs/dbraw/zinc/55/61/52/573556152.db2.gz	FIGDAOLMZIVPGP-UHFFFAOYSA-N	0	0	183.663	3.137	10	0		AGAERN
C[C@H]1CCC[C@@](O)(CCC2CC2)C1	235617042	573556285	/nfs/dbraw/zinc/55/62/85/573556285.db2.gz	DGXABMYGVUDGOC-CMPLNLGQSA-N	0	0	182.307	3.118	10	0		AGAERN
CC1=CCC(=C(C)C)C[C@H]1[C@@H](C)O	238432871	573567693	/nfs/dbraw/zinc/56/76/93/573567693.db2.gz	YZPQRQSTPXSGLP-ZYHUDNBSSA-N	0	0	180.291	3.060	10	0		AGAERN
CC1=CC(C)(C)[C@H](C/C=C/[C@H](C)O)C1	238432891	573567281	/nfs/dbraw/zinc/56/72/81/573567281.db2.gz	WTXYIFRGJKGBCI-CYLBZQBVSA-N	0	0	194.318	3.306	10	0		AGAERN
Fc1ccc(-c2ccno2)cc1Cl	83618001	573567303	/nfs/dbraw/zinc/56/73/03/573567303.db2.gz	HFJLNXLFCUXECI-UHFFFAOYSA-N	0	0	197.596	3.134	10	0		AGAERN
Cc1cc(C)c2cc(C)[nH]c2c1	78677342	573574935	/nfs/dbraw/zinc/57/49/35/573574935.db2.gz	PMMQMNKNOQKZPI-UHFFFAOYSA-N	0	0	159.232	3.093	10	0		AGAERN
CC[C@H](C)Nc1c(C)ccc(N)c1C	86687747	573574941	/nfs/dbraw/zinc/57/49/41/573574941.db2.gz	TXFALVZXGRLWTF-VIFPVBQESA-N	0	0	192.306	3.096	10	0		AGAERN
CC[Si](C)(CC)CCC(C)=O	238273348	573574989	/nfs/dbraw/zinc/57/49/89/573574989.db2.gz	ZNMBMXOYOAUVID-UHFFFAOYSA-N	0	0	172.344	3.084	10	0		AGAERN
C/C=C/C[C@@H](O)/C=C\c1ccccc1	308635961	573574993	/nfs/dbraw/zinc/57/49/93/573574993.db2.gz	YUMMTTZMEVBYOH-GPWMCQRUSA-N	0	0	188.270	3.027	10	0		AGAERN
CC[C@@H](CO)C/C=C\c1ccccc1	308635794	573575085	/nfs/dbraw/zinc/57/50/85/573575085.db2.gz	YMEWRQUNWSHYGQ-XTOZHPGHSA-N	0	0	190.286	3.108	10	0		AGAERN
CCCCC[C@](C)(O)Cc1ccco1	130505303	573575232	/nfs/dbraw/zinc/57/52/32/573575232.db2.gz	CADFXPYVCLOGDE-LBPRGKRZSA-N	0	0	196.290	3.153	10	0		AGAERN
C[C@@H]1[C@@H](O)C[C@@H](C(C)(C)C)CC1(C)C	238445015	573575269	/nfs/dbraw/zinc/57/52/69/573575269.db2.gz	BYBDNIWFEOCVAZ-MXWKQRLJSA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)c1ccc2c(c1)[C@H](O)[C@@H](C)C2	86722116	573589306	/nfs/dbraw/zinc/58/93/06/573589306.db2.gz	WJBRQBFLSMXHFV-TVQRCGJNSA-N	0	0	190.286	3.036	10	0		AGAERN
CC[C@@H]1c2ccc(C)cc2[C@@H](O)[C@@H]1C	86721734	573589357	/nfs/dbraw/zinc/58/93/57/573589357.db2.gz	WETJYCDXAUMETL-NRUUGDAUSA-N	0	0	190.286	3.172	10	0		AGAERN
Cc1cc([C@H](O)C(C)C)cc(C)c1F	83685330	573588826	/nfs/dbraw/zinc/58/88/26/573588826.db2.gz	DFTOSEQFLNNVJK-GFCCVEGCSA-N	0	0	196.265	3.132	10	0		AGAERN
CC[C@H]1c2ccccc2C(=O)[C@@H]1C	86718205	573588872	/nfs/dbraw/zinc/58/88/72/573588872.db2.gz	CLLJPYJRAFBDON-RKDXNWHRSA-N	0	0	174.243	3.013	10	0		AGAERN
CCc1ccc2c(c1)[C@H](O)[C@@H](C)[C@@H]2C	86721989	573588899	/nfs/dbraw/zinc/58/88/99/573588899.db2.gz	MXTFXELNHOXIIW-MWODSPESSA-N	0	0	190.286	3.036	10	0		AGAERN
C[C@@H]1CCc2ccccc2C(=O)[C@@H]1C	86718124	573588911	/nfs/dbraw/zinc/58/89/11/573588911.db2.gz	MOKYRJWDJBPUCS-NXEZZACHSA-N	0	0	188.270	3.088	10	0		AGAERN
Cc1cc(C)c2c(c1)C(=O)[C@@H](C)[C@@H]2C	86718195	573588917	/nfs/dbraw/zinc/58/89/17/573588917.db2.gz	WRDJFXYCAFXCCM-UWVGGRQHSA-N	0	0	188.270	3.239	10	0		AGAERN
CCC(=O)c1sccc1SC	75480674	573588922	/nfs/dbraw/zinc/58/89/22/573588922.db2.gz	OQSXGQUBJDRUAZ-UHFFFAOYSA-N	0	0	186.301	3.063	10	0		AGAERN
Cc1c(Cl)[nH]c2cc(F)ccc12	258063687	573588976	/nfs/dbraw/zinc/58/89/76/573588976.db2.gz	VLLYTINJCKCHLN-UHFFFAOYSA-N	0	0	183.613	3.269	10	0		AGAERN
Cc1ccc(C)c2c1C(=O)[C@H](C)[C@@H]2C	86718327	573588984	/nfs/dbraw/zinc/58/89/84/573588984.db2.gz	JXRSVWUWVNRRJO-VHSXEESVSA-N	0	0	188.270	3.239	10	0		AGAERN
CCc1ccc2c(c1)[C@H](O)[C@H](C)[C@@H]2C	86721986	573589028	/nfs/dbraw/zinc/58/90/28/573589028.db2.gz	MXTFXELNHOXIIW-IGJMFERPSA-N	0	0	190.286	3.036	10	0		AGAERN
CCc1cccc(C)c1NC(=O)S	258787888	573589124	/nfs/dbraw/zinc/58/91/24/573589124.db2.gz	RKZDRQBSBLVBBN-UHFFFAOYSA-N	0	0	195.287	3.019	10	0		AGAERN
c1csc(NC2CCCCC2)c1	75490955	573589133	/nfs/dbraw/zinc/58/91/33/573589133.db2.gz	JHKZBCJXYOAYRG-UHFFFAOYSA-N	0	0	181.304	3.493	10	0		AGAERN
CC(C)[C@@H]1c2ccccc2[C@H](O)[C@@H]1C	86721899	573589186	/nfs/dbraw/zinc/58/91/86/573589186.db2.gz	OQELZFOBARAACI-JIMOISOXSA-N	0	0	190.286	3.109	10	0		AGAERN
CC(C)c1ccc2c(c1)[C@@H](O)[C@@H](C)C2	86722122	573589232	/nfs/dbraw/zinc/58/92/32/573589232.db2.gz	WJBRQBFLSMXHFV-ZANVPECISA-N	0	0	190.286	3.036	10	0		AGAERN
CC[C@@H]1c2ccc(F)cc2C(=O)[C@H]1C	86718304	573589254	/nfs/dbraw/zinc/58/92/54/573589254.db2.gz	GWXZWVNQZBJDCS-CBAPKCEASA-N	0	0	192.233	3.152	10	0		AGAERN
CC1(C)CC[C@@H](CCCF)C(=O)C1	717502471	573593556	/nfs/dbraw/zinc/59/35/56/573593556.db2.gz	OPNBITOSHKZCDB-SECBINFHSA-N	0	0	186.270	3.132	10	0		AGAERN
Cc1ccc(/C=C\C[C@H](C)CO)cc1	308631673	573593587	/nfs/dbraw/zinc/59/35/87/573593587.db2.gz	VLACVBJRWGAENF-FHMRSRPSSA-N	0	0	190.286	3.027	10	0		AGAERN
Cc1ccc2c(c1)N[C@@H](C)C[C@H]2C	238455299	573593060	/nfs/dbraw/zinc/59/30/60/573593060.db2.gz	DFESBQGBLTWVSC-ZJUUUORDSA-N	0	0	175.275	3.303	10	0		AGAERN
CCCCC[C@H](O)c1csc(C)n1	126626502	573593073	/nfs/dbraw/zinc/59/30/73/573593073.db2.gz	KCGMTJMHSNOCBG-JTQLQIEISA-N	0	0	199.319	3.065	10	0		AGAERN
C=Cc1cccc2c1CC[C@H](C)N2	238455243	573593210	/nfs/dbraw/zinc/59/32/10/573593210.db2.gz	QUWZORSIHLRSFN-VIFPVBQESA-N	0	0	173.259	3.076	10	0		AGAERN
Cc1cccc2c1NC(=S)C2(C)C	238455273	573593251	/nfs/dbraw/zinc/59/32/51/573593251.db2.gz	HNAIJYSSGWYULN-UHFFFAOYSA-N	0	0	191.299	3.026	10	0		AGAERN
Cc1cc(C(=O)C2CC2)cc(C)c1F	83685087	573593455	/nfs/dbraw/zinc/59/34/55/573593455.db2.gz	VFNOJNZOBIAOGX-UHFFFAOYSA-N	0	0	192.233	3.035	10	0		AGAERN
C/C=C\C[C@H](CCO)c1ccccc1	308632781	573593471	/nfs/dbraw/zinc/59/34/71/573593471.db2.gz	WELBSNFGLGCSMX-XQJDBVBESA-N	0	0	190.286	3.119	10	0		AGAERN
C/C(=C/c1ccc(C(F)F)cc1)CO	124717537	573597393	/nfs/dbraw/zinc/59/73/93/573597393.db2.gz	SLIXALVBCJCWQK-VURMDHGXSA-N	0	0	198.212	3.020	10	0		AGAERN
Cc1cc(C(=O)C(C)C)c(F)cc1F	86723074	573597399	/nfs/dbraw/zinc/59/73/99/573597399.db2.gz	ZDUCLNGURGRDIU-UHFFFAOYSA-N	0	0	198.212	3.112	10	0		AGAERN
Clc1cc(-c2ccccc2)sn1	107431902	573597095	/nfs/dbraw/zinc/59/70/95/573597095.db2.gz	OTTWJHOXLDPJOV-UHFFFAOYSA-N	0	0	195.674	3.464	10	0		AGAERN
CCCC[C@H](C)C(=O)c1cscn1	393539988	573597141	/nfs/dbraw/zinc/59/71/41/573597141.db2.gz	CZUVILZGJPSUOM-QMMMGPOBSA-N	0	0	197.303	3.152	10	0		AGAERN
Cc1cccc2cc(Cl)[nH]c12	238456648	573599336	/nfs/dbraw/zinc/59/93/36/573599336.db2.gz	PQFJVJBIIFRTJG-UHFFFAOYSA-N	0	0	165.623	3.130	10	0		AGAERN
CC(F)(F)Cc1ccccc1F	258817059	573599404	/nfs/dbraw/zinc/59/94/04/573599404.db2.gz	OJJHYNQUHXILHW-UHFFFAOYSA-N	0	0	174.165	3.023	10	0		AGAERN
CC[C@@](C)(/C=C/c1ccccc1)CO	238279261	573599523	/nfs/dbraw/zinc/59/95/23/573599523.db2.gz	ACWGVJLMMUEKGN-LXKVQUBZSA-N	0	0	190.286	3.108	10	0		AGAERN
C[Si](C)(C)[C@@H]1CCCCC[C@@H]1O	238445913	573599600	/nfs/dbraw/zinc/59/96/00/573599600.db2.gz	WRSGIQBWYLPQRC-VHSXEESVSA-N	0	0	186.371	3.020	10	0		AGAERN
Cc1cc([C@@H](C)C[C@H](C)O)c(C)s1	238449399	573612971	/nfs/dbraw/zinc/61/29/71/573612971.db2.gz	ZPWRGBRYDQTPMC-YUMQZZPRSA-N	0	0	198.331	3.239	10	0		AGAERN
CCc1[nH]c2c(C)cc(F)cc2c1C	83729076	573612992	/nfs/dbraw/zinc/61/29/92/573612992.db2.gz	GQZDNDACDKMFCJ-UHFFFAOYSA-N	0	0	191.249	3.486	10	0		AGAERN
Cc1[nH]c2c(F)cc(F)c(F)c2c1C	83729114	573613004	/nfs/dbraw/zinc/61/30/04/573613004.db2.gz	BEJIPMMBPXMYOL-UHFFFAOYSA-N	0	0	199.175	3.202	10	0		AGAERN
CCc1[nH]c2ccc(OC)cc2c1C	83729056	573613031	/nfs/dbraw/zinc/61/30/31/573613031.db2.gz	IVZAXNQAACXOMX-UHFFFAOYSA-N	0	0	189.258	3.047	10	0		AGAERN
C[C@H]1[C@@H](O)CCC12CCCCCC2	238448992	573613054	/nfs/dbraw/zinc/61/30/54/573613054.db2.gz	RBYJOPUVTYLSIP-QWRGUYRKSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(=O)[C@@H]1CCCCC[C@@H](C)C1	238449166	573613090	/nfs/dbraw/zinc/61/30/90/573613090.db2.gz	TZVWRWLLIBYZBL-MWLCHTKSSA-N	0	0	168.280	3.182	10	0		AGAERN
C[C@H]1C[C@@H](C)C[C@H](C(C)(C)C)[C@@H]1O	238449971	573613125	/nfs/dbraw/zinc/61/31/25/573613125.db2.gz	AMZHOBHQPSGARF-VPOLOUISSA-N	0	0	184.323	3.076	10	0		AGAERN
Cc1cccc2c1CCCCC[C@@H]2O	238449231	573613244	/nfs/dbraw/zinc/61/32/44/573613244.db2.gz	KGNXUMBTUKZSFU-ZDUSSCGKSA-N	0	0	190.286	3.145	10	0		AGAERN
CC[C@H](CC(=O)OC)C1CCCCC1	259616394	573613344	/nfs/dbraw/zinc/61/33/44/573613344.db2.gz	HPBSSLFORNJLNS-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
CC/C(=C/CO)c1ccccc1Cl	257837565	573613370	/nfs/dbraw/zinc/61/33/70/573613370.db2.gz	ATTSEWMYKSEINX-CLFYSBASSA-N	0	0	196.677	3.126	10	0		AGAERN
C[C@H]1C[C@@H](C)[C@@H](O)[C@@H]1CC(C)(C)C	238449798	573613393	/nfs/dbraw/zinc/61/33/93/573613393.db2.gz	JLOPQUCAMJUWTE-LNFKQOIKSA-N	0	0	184.323	3.076	10	0		AGAERN
C[Si](C)(C)[C@H]1CCCCC[C@@H]1O	238449377	573613431	/nfs/dbraw/zinc/61/34/31/573613431.db2.gz	WRSGIQBWYLPQRC-UWVGGRQHSA-N	0	0	186.371	3.020	10	0		AGAERN
C[C@H]1CC[C@@]2(C)C(=O)CCC=C2C1	238449855	573613474	/nfs/dbraw/zinc/61/34/74/573613474.db2.gz	KIUDBTRNPYSNRV-JOYOIKCWSA-N	0	0	178.275	3.102	10	0		AGAERN
CCCn1ccnc1S[C@H](C)CC	308406155	573613484	/nfs/dbraw/zinc/61/34/84/573613484.db2.gz	JRWWBLSFKUEWPB-SECBINFHSA-N	0	0	198.335	3.184	10	0		AGAERN
C[C@H]1[C@@H](O)C[C@@H](C(C)(C)C)CC1(C)C	238449659	573613520	/nfs/dbraw/zinc/61/35/20/573613520.db2.gz	BYBDNIWFEOCVAZ-AXFHLTTASA-N	0	0	198.350	3.466	10	0		AGAERN
CC[C@@H](CC(=O)OC)C1CCCCC1	259616390	573613548	/nfs/dbraw/zinc/61/35/48/573613548.db2.gz	HPBSSLFORNJLNS-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
C[C@@H]1C=C2CC(=O)CC[C@]2(C)CC1	238449986	573614086	/nfs/dbraw/zinc/61/40/86/573614086.db2.gz	WWNJHIPSACMTAG-CABZTGNLSA-N	0	0	178.275	3.102	10	0		AGAERN
CCC[C@H](Nc1cccnc1)C1CC1	126649774	573614102	/nfs/dbraw/zinc/61/41/02/573614102.db2.gz	RKRIOIZRVPZXDU-LBPRGKRZSA-N	0	0	190.290	3.072	10	0		AGAERN
C[Si](C)(C)[C@H]1CCCCC[C@H]1O	238449388	573614116	/nfs/dbraw/zinc/61/41/16/573614116.db2.gz	WRSGIQBWYLPQRC-ZJUUUORDSA-N	0	0	186.371	3.020	10	0		AGAERN
C[Si](C)(C)[C@H]1CCCC=C1CCO	238449335	573614128	/nfs/dbraw/zinc/61/41/28/573614128.db2.gz	LMLVZXOLQXXJAB-NSHDSACASA-N	0	0	198.382	3.188	10	0		AGAERN
C[C@@H]1CCCCC[C@H]2C[C@@H]21	238449654	573614403	/nfs/dbraw/zinc/61/44/03/573614403.db2.gz	FIVBUSZJGDDMHL-KXUCPTDWSA-N	0	0	138.254	3.223	10	0		AGAERN
C[C@@H]1CCCCCC[C@@H](C)C1=O	238448784	573614419	/nfs/dbraw/zinc/61/44/19/573614419.db2.gz	ZHAQMVQLHKELQG-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
C[C@H]1CC[C@](C)(C(C)(C)C)C1=O	238450284	573616308	/nfs/dbraw/zinc/61/63/08/573616308.db2.gz	SLWMSQARJKFAIM-KWQFWETISA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@H]1CC[C@@H](C)Nc2ccccc21	238450625	573615690	/nfs/dbraw/zinc/61/56/90/573615690.db2.gz	HTDWFEOOMAUIPB-VHSXEESVSA-N	0	0	175.275	3.384	10	0		AGAERN
Cc1cccc2[nH]c(Cl)cc12	238451057	573615914	/nfs/dbraw/zinc/61/59/14/573615914.db2.gz	INDICPOFWUZPOS-UHFFFAOYSA-N	0	0	165.623	3.130	10	0		AGAERN
CC1CCC(c2csc(N)n2)CC1	96378826	573616116	/nfs/dbraw/zinc/61/61/16/573616116.db2.gz	AZWLIQJIKHQLCS-UHFFFAOYSA-N	0	0	196.319	3.019	10	0		AGAERN
Cc1ccc2c(N)cc(C)cc2c1	75561354	573616163	/nfs/dbraw/zinc/61/61/63/573616163.db2.gz	OJCYREBNJVSSLI-UHFFFAOYSA-N	0	0	171.243	3.039	10	0		AGAERN
C[C@H]1CC(=O)CC2=CCCC[C@]21C	238451193	573616235	/nfs/dbraw/zinc/61/62/35/573616235.db2.gz	WUFOBSDRUJXSEZ-CABZTGNLSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@H]1CC[C@]2(CC=CCC2)C(=O)C1	238450267	573616571	/nfs/dbraw/zinc/61/65/71/573616571.db2.gz	NTKQLLXPBSUBRF-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1=CCC[C@@]2(CC[C@H](C)CO2)C1	238450252	573616583	/nfs/dbraw/zinc/61/65/83/573616583.db2.gz	UBDJPPXBXBGYSN-NWDGAFQWSA-N	0	0	180.291	3.302	10	0		AGAERN
Cc1ccc([C@H]2C=CCC2)c(N)c1	75563780	573616613	/nfs/dbraw/zinc/61/66/13/573616613.db2.gz	PWGSNTJJCUGYOG-JTQLQIEISA-N	0	0	173.259	3.011	10	0		AGAERN
Cc1ccc2ccc([C@H](C)O)cc2c1	238451104	573616651	/nfs/dbraw/zinc/61/66/51/573616651.db2.gz	JNLBJCRKBONORU-JTQLQIEISA-N	0	0	186.254	3.202	10	0		AGAERN
CC[C@H](C)c1c(N)csc1C	82401238	573616732	/nfs/dbraw/zinc/61/67/32/573616732.db2.gz	CUPWZJLVBJONMD-LURJTMIESA-N	0	0	169.293	3.152	10	0		AGAERN
C[C@H](O)C[C@H]1CC2=C1C(C)(C)CCC2	238450464	573616814	/nfs/dbraw/zinc/61/68/14/573616814.db2.gz	OFHJSAXYSSSASI-ONGXEEELSA-N	0	0	194.318	3.284	10	0		AGAERN
CC1=CCC(=C(C)C)[C@@H](C[C@H](C)O)C1	238450439	573616937	/nfs/dbraw/zinc/61/69/37/573616937.db2.gz	IFARVQQQZSBOTA-NWDGAFQWSA-N	0	0	194.318	3.450	10	0		AGAERN
CC(C)=C1CCCC[C@@H]1C[C@H](C)O	238450572	573617030	/nfs/dbraw/zinc/61/70/30/573617030.db2.gz	CKZLVNINSDLVQC-WDEREUQCSA-N	0	0	182.307	3.284	10	0		AGAERN
CCSc1cccc(Cl)c1N	96373374	573617093	/nfs/dbraw/zinc/61/70/93/573617093.db2.gz	IJVCVRZQNWYMEA-UHFFFAOYSA-N	0	0	187.695	3.034	10	0		AGAERN
CC[C@H]1c2ccc(F)cc2N[C@H]1C	107459445	573621531	/nfs/dbraw/zinc/62/15/31/573621531.db2.gz	FMYRTVPCMPMQCF-IONNQARKSA-N	0	0	179.238	3.133	10	0		AGAERN
CC/C(=C/c1ccccc1Cl)CO	211967509	573621743	/nfs/dbraw/zinc/62/17/43/573621743.db2.gz	KAXOUHNUHWMXMF-CLFYSBASSA-N	0	0	196.677	3.126	10	0		AGAERN
C/C(=C/c1cc(C)c(C)cc1C)CO	211969606	573621749	/nfs/dbraw/zinc/62/17/49/573621749.db2.gz	DCQUDYKOUUFFLZ-UITAMQMPSA-N	0	0	190.286	3.007	10	0		AGAERN
CC[C@H](C)O[C@H](C)c1ccccc1O	238287401	573621836	/nfs/dbraw/zinc/62/18/36/573621836.db2.gz	XRWDUQIWBKZCQM-VHSXEESVSA-N	0	0	194.274	3.268	10	0		AGAERN
CNc1cccc(C(F)(F)C(C)C)c1	259531115	573622214	/nfs/dbraw/zinc/62/22/14/573622214.db2.gz	QIJTZACXKDYLES-UHFFFAOYSA-N	0	0	199.244	3.476	10	0		AGAERN
CC(C)[C@H]1c2ccc(F)cc2N[C@H]1C	107463181	573625662	/nfs/dbraw/zinc/62/56/62/573625662.db2.gz	DZRDBHCOVXHBNI-QPUJVOFHSA-N	0	0	193.265	3.379	10	0		AGAERN
C[C@H]1CC[C@@H](c2nccc(Cl)n2)C1	83783259	573627068	/nfs/dbraw/zinc/62/70/68/573627068.db2.gz	BPBKJJWDRHMDBY-JGVFFNPUSA-N	0	0	196.681	3.034	10	0		AGAERN
CCOC(=O)[C@@H](C)[C@@H](C)C1CCCC1	259616001	573627113	/nfs/dbraw/zinc/62/71/13/573627113.db2.gz	FIAVTCSVIGTYIL-ZJUUUORDSA-N	0	0	198.306	3.012	10	0		AGAERN
CC1(C)CCC(C(=O)C2CC2)CC1	83778531	573627122	/nfs/dbraw/zinc/62/71/22/573627122.db2.gz	SHPRHIUOTNKTPX-UHFFFAOYSA-N	0	0	180.291	3.182	10	0		AGAERN
O[C@H](CC1CC1)C1CCCCCC1	83779303	573627136	/nfs/dbraw/zinc/62/71/36/573627136.db2.gz	KGKVRYQKSIOEEV-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
C=Cc1nc(C2CCCCCC2)no1	83778956	573627257	/nfs/dbraw/zinc/62/72/57/573627257.db2.gz	RMCCJOXBSGRTTB-UHFFFAOYSA-N	0	0	192.262	3.150	10	0		AGAERN
C[C@@H]1CC[C@@H](c2nccc(Cl)n2)C1	83783255	573627412	/nfs/dbraw/zinc/62/74/12/573627412.db2.gz	BPBKJJWDRHMDBY-HTQZYQBOSA-N	0	0	196.681	3.034	10	0		AGAERN
CCOC(=O)[C@H](C)[C@H](C)C1CCCC1	259615994	573627539	/nfs/dbraw/zinc/62/75/39/573627539.db2.gz	FIAVTCSVIGTYIL-VHSXEESVSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)(C)C1CCC(C(N)=S)CC1	83781227	573627627	/nfs/dbraw/zinc/62/76/27/573627627.db2.gz	YANBMAVKTJFNTA-UHFFFAOYSA-N	0	0	199.363	3.125	10	0		AGAERN
O[C@H](c1ccco1)C1CCCCCC1	83779302	573627662	/nfs/dbraw/zinc/62/76/62/573627662.db2.gz	AMQCRBMHYGIOSJ-LBPRGKRZSA-N	0	0	194.274	3.283	10	0		AGAERN
O=C(CC1CC1)C1CCCCCC1	83779113	573627701	/nfs/dbraw/zinc/62/77/01/573627701.db2.gz	OREGHNOMFQEIAK-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
Cc1cc(C)c2c(c1)C(=O)CC[C@H]2C	96551195	573627722	/nfs/dbraw/zinc/62/77/22/573627722.db2.gz	UMPKAWUBUCUPRT-SECBINFHSA-N	0	0	188.270	3.383	10	0		AGAERN
CC(C)(C)[C@H](O)C1CCCCCC1	83779297	573628815	/nfs/dbraw/zinc/62/88/15/573628815.db2.gz	YAGZRKXHEOFASK-LLVKDONJSA-N	0	0	184.323	3.364	10	0		AGAERN
O=C(c1ccoc1)C1CCCCCC1	83779121	573628158	/nfs/dbraw/zinc/62/81/58/573628158.db2.gz	BKQUXUOAAMFVHG-UHFFFAOYSA-N	0	0	192.258	3.433	10	0		AGAERN
CC(C)C1CCC([C@@H](O)C(C)C)CC1	83780491	573628191	/nfs/dbraw/zinc/62/81/91/573628191.db2.gz	JYTGXUKCYGHWGJ-BPCQOVAHSA-N	0	0	198.350	3.466	10	0		AGAERN
Cc1cc(-c2ccc3c(c2)CCC3)on1	259132746	573628219	/nfs/dbraw/zinc/62/82/19/573628219.db2.gz	HFLGDQJMFJXHIM-UHFFFAOYSA-N	0	0	199.253	3.139	10	0		AGAERN
C[C@H]1CCC[C@@H]1c1ccc(O)cc1	238452989	573628265	/nfs/dbraw/zinc/62/82/65/573628265.db2.gz	HMAKLZLLROYJHO-CABZTGNLSA-N	0	0	176.259	3.296	10	0		AGAERN
CCS[C@@H](C)c1ccccc1O	75576125	573628309	/nfs/dbraw/zinc/62/83/09/573628309.db2.gz	MAKDWRWZAMSWHQ-QMMMGPOBSA-N	0	0	182.288	3.206	10	0		AGAERN
C[C@@H]1CCCC[C@@H](CCO)C1(C)C	238454170	573628350	/nfs/dbraw/zinc/62/83/50/573628350.db2.gz	FOKMQAVFSZLDRR-MNOVXSKESA-N	0	0	184.323	3.221	10	0		AGAERN
COC(=N)C1CCC(C(C)C)CC1	83780984	573628432	/nfs/dbraw/zinc/62/84/32/573628432.db2.gz	AAFDVJZJWBWJEB-UHFFFAOYSA-N	0	0	183.295	3.072	10	0		AGAERN
O[C@@H](CC1CC1)C1CCCCCC1	83779304	573628684	/nfs/dbraw/zinc/62/86/84/573628684.db2.gz	KGKVRYQKSIOEEV-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(C)C1CCC([C@H](O)C2CC2)CC1	83780484	573629831	/nfs/dbraw/zinc/62/98/31/573629831.db2.gz	KCIRMHJKCINCEJ-XIVSLSHWSA-N	0	0	196.334	3.220	10	0		AGAERN
Cc1cscc1[C@@H](O)C1=CCCC1	86816525	573629846	/nfs/dbraw/zinc/62/98/46/573629846.db2.gz	RLYBRRXQILWHPW-NSHDSACASA-N	0	0	194.299	3.200	10	0		AGAERN
CC(C)C1CCC([C@H](O)C(C)C)CC1	83780489	573629983	/nfs/dbraw/zinc/62/99/83/573629983.db2.gz	JYTGXUKCYGHWGJ-WXRRBKDZSA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)[C@H](O)C1CCC(C)(C)CC1	83778610	573630017	/nfs/dbraw/zinc/63/00/17/573630017.db2.gz	NETXNVUQOUWEPZ-NSHDSACASA-N	0	0	184.323	3.220	10	0		AGAERN
CCC[C@@H](O)C1CCC(C)(C)CC1	83778581	573630065	/nfs/dbraw/zinc/63/00/65/573630065.db2.gz	GOWCPXZQIYEDIG-LLVKDONJSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H](O)C1CCC(C(C)C)CC1	83780483	573630204	/nfs/dbraw/zinc/63/02/04/573630204.db2.gz	CEOUOGWMLNECCI-HTAVTVPLSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1oc2c(O)ccc(C)c2c1C	238459927	573630356	/nfs/dbraw/zinc/63/03/56/573630356.db2.gz	DTMWUWVSKMEEBP-UHFFFAOYSA-N	0	0	176.215	3.064	10	0		AGAERN
CC(C)[C@@H](O)C1CCC(C)(C)CC1	83778611	573630371	/nfs/dbraw/zinc/63/03/71/573630371.db2.gz	NETXNVUQOUWEPZ-LLVKDONJSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC[C@H](O)C1CCC(C)(C)CC1	83778580	573630436	/nfs/dbraw/zinc/63/04/36/573630436.db2.gz	GOWCPXZQIYEDIG-NSHDSACASA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1cscc1C(=O)OC(C)(C)C	86816014	573630484	/nfs/dbraw/zinc/63/04/84/573630484.db2.gz	YQGHFOYYKYJRGN-UHFFFAOYSA-N	0	0	198.287	3.012	10	0		AGAERN
CCC[C@@H]1C[C@]1(O)c1cscc1C	86817017	573632111	/nfs/dbraw/zinc/63/21/11/573632111.db2.gz	SBNQKMRJCDLXBE-MWLCHTKSSA-N	0	0	196.315	3.064	10	0		AGAERN
C[C@@H]1CC[C@@H]([C@H](O)c2cccs2)C1	83785794	573632119	/nfs/dbraw/zinc/63/21/19/573632119.db2.gz	RUCIODJOZRDFDP-KKZNHRDASA-N	0	0	196.315	3.218	10	0		AGAERN
Oc1ccc([C@H](C(F)F)C2CC2)cc1	258073277	573631690	/nfs/dbraw/zinc/63/16/90/573631690.db2.gz	LRCKXVGBTFFKFI-SNVBAGLBSA-N	0	0	198.212	3.151	10	0		AGAERN
Cc1cc(-c2ccccc2C)nc(C)n1	259144213	573631741	/nfs/dbraw/zinc/63/17/41/573631741.db2.gz	RIBCWJUMUBUOCX-UHFFFAOYSA-N	0	0	198.269	3.069	10	0		AGAERN
C[C@H]1CC[C@@H](C(=O)c2ccsc2)C1	83784691	573631742	/nfs/dbraw/zinc/63/17/42/573631742.db2.gz	ZMMHWYFIPPKDGF-DTWKUNHWSA-N	0	0	194.299	3.367	10	0		AGAERN
Cc1ccc(C)c2c(N=O)c[nH]c12	238459122	573631871	/nfs/dbraw/zinc/63/18/71/573631871.db2.gz	AEEJRBYHJCOJPL-UHFFFAOYSA-N	0	0	174.203	3.183	10	0		AGAERN
CCC[C@H]1C[C@]1(O)c1cscc1C	86817019	573631991	/nfs/dbraw/zinc/63/19/91/573631991.db2.gz	SBNQKMRJCDLXBE-GXSJLCMTSA-N	0	0	196.315	3.064	10	0		AGAERN
C[C@@H]1CC[C@@H]([C@H](O)CC2CCCC2)C1	83785507	573635116	/nfs/dbraw/zinc/63/51/16/573635116.db2.gz	PAGCSADZRFCIAV-RAIGVLPGSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@H]1CC[C@@H](C(=O)C2CCCC2)C1	83784886	573634450	/nfs/dbraw/zinc/63/44/50/573634450.db2.gz	ZCAFPLVORAEQMO-GXSJLCMTSA-N	0	0	180.291	3.182	10	0		AGAERN
CC(C)CC(=O)[C@@H]1CC[C@H](C)C1	83784328	573634529	/nfs/dbraw/zinc/63/45/29/573634529.db2.gz	BGYWIOYWENUARJ-VHSXEESVSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@@H]1CC[C@@H]([C@H](O)C2CCCCC2)C1	83785556	573634544	/nfs/dbraw/zinc/63/45/44/573634544.db2.gz	CTUXLZWIOFKYJN-RAIGVLPGSA-N	0	0	196.334	3.364	10	0		AGAERN
COc1cccc2c1[C@@H](C)C[C@@H](C)N2	258074554	573634562	/nfs/dbraw/zinc/63/45/62/573634562.db2.gz	UVDFAMFCDXFJAB-DTWKUNHWSA-N	0	0	191.274	3.003	10	0		AGAERN
C[C@@H]1CC[C@H]([C@H](O)c2ccsc2)C1	83786155	573634640	/nfs/dbraw/zinc/63/46/40/573634640.db2.gz	XOROAEZMRPZRBD-YWVKMMECSA-N	0	0	196.315	3.218	10	0		AGAERN
CC(C)SCc1ncoc1C1CC1	393544961	573634672	/nfs/dbraw/zinc/63/46/72/573634672.db2.gz	DLDSFQMEHWMQLV-UHFFFAOYSA-N	0	0	197.303	3.194	10	0		AGAERN
CC(C)Oc1ccc2c(c1)CCCC2	96586571	573634694	/nfs/dbraw/zinc/63/46/94/573634694.db2.gz	ZTLXMPWNYNQFQA-UHFFFAOYSA-N	0	0	190.286	3.353	10	0		AGAERN
C[C@H]1CC[C@H](C(=O)c2ccccc2)C1	83785044	573634703	/nfs/dbraw/zinc/63/47/03/573634703.db2.gz	ZHMZVFATAVLKEW-JQWIXIFHSA-N	0	0	188.270	3.306	10	0		AGAERN
CC/C(=C/c1ccc(C)cc1C)CO	211974386	573634743	/nfs/dbraw/zinc/63/47/43/573634743.db2.gz	TWHDZLQQXZRVPS-WQLSENKSSA-N	0	0	190.286	3.089	10	0		AGAERN
COc1cccc2c1[C@H](C)C[C@H](C)N2	258074551	573634854	/nfs/dbraw/zinc/63/48/54/573634854.db2.gz	UVDFAMFCDXFJAB-BDAKNGLRSA-N	0	0	191.274	3.003	10	0		AGAERN
C[C@@H]1CC[C@H](C(=O)C(C)(C)C)C1	83784301	573634933	/nfs/dbraw/zinc/63/49/33/573634933.db2.gz	LWVAXPHUQYALCJ-BDAKNGLRSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)[C@@](C)(F)c1cccc(C=O)c1	259538380	573634954	/nfs/dbraw/zinc/63/49/54/573634954.db2.gz	BOQWCWROWSFVCB-GFCCVEGCSA-N	0	0	194.249	3.340	10	0		AGAERN
Cc1cnc(Oc2ccccc2)s1	78520909	573635011	/nfs/dbraw/zinc/63/50/11/573635011.db2.gz	KRVHJAKLPKAKKN-UHFFFAOYSA-N	0	0	191.255	3.244	10	0		AGAERN
COc1cccc2c1[C@H](C)C[C@@H](C)N2	258074561	573635943	/nfs/dbraw/zinc/63/59/43/573635943.db2.gz	UVDFAMFCDXFJAB-RKDXNWHRSA-N	0	0	191.274	3.003	10	0		AGAERN
C[C@@H]1CC[C@H](C(=O)c2ccsc2)C1	83784685	573635948	/nfs/dbraw/zinc/63/59/48/573635948.db2.gz	ZMMHWYFIPPKDGF-BDAKNGLRSA-N	0	0	194.299	3.367	10	0		AGAERN
C[C@H]1CC(C)(C)C2=C1CCC(=S)N2	238460177	573636042	/nfs/dbraw/zinc/63/60/42/573636042.db2.gz	GGADNSCXMWSLBR-ZETCQYMHSA-N	0	0	195.331	3.017	10	0		AGAERN
C[C@@H]1CC[C@@H](C(=O)C(C)(C)C)C1	83784305	573636196	/nfs/dbraw/zinc/63/61/96/573636196.db2.gz	LWVAXPHUQYALCJ-RKDXNWHRSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@@H]1CC[C@@H](C(=O)c2cccs2)C1	83784841	573636286	/nfs/dbraw/zinc/63/62/86/573636286.db2.gz	GIXWUMYNNFESAG-RKDXNWHRSA-N	0	0	194.299	3.367	10	0		AGAERN
COC(=N)C1CCC(C(C)(C)C)CC1	83789127	573636309	/nfs/dbraw/zinc/63/63/09/573636309.db2.gz	RDOJJZQZSYLKFQ-UHFFFAOYSA-N	0	0	197.322	3.463	10	0		AGAERN
C[C@H]1CCC[C@H](O)c2ccccc21	238460433	573636343	/nfs/dbraw/zinc/63/63/43/573636343.db2.gz	AUKXWMUFCNWEQB-CABZTGNLSA-N	0	0	176.259	3.007	10	0		AGAERN
C[C@H]1CC[C@H](C(=O)C2CCCC2)C1	83784882	573636379	/nfs/dbraw/zinc/63/63/79/573636379.db2.gz	ZCAFPLVORAEQMO-ONGXEEELSA-N	0	0	180.291	3.182	10	0		AGAERN
CC(C)c1ccnc2scc(N)c12	75584703	573637957	/nfs/dbraw/zinc/63/79/57/573637957.db2.gz	USJMOONKOZKHJD-UHFFFAOYSA-N	0	0	192.287	3.002	10	0		AGAERN
CC[C@@H]1CC[C@H]([C@H](O)c2ccco2)C1	83799565	573637361	/nfs/dbraw/zinc/63/73/61/573637361.db2.gz	JYBINHXIOKGRJJ-SCVCMEIPSA-N	0	0	194.274	3.139	10	0		AGAERN
C=Cc1nc([C@H]2CC[C@@H](CC)C2)no1	83791437	573637522	/nfs/dbraw/zinc/63/75/22/573637522.db2.gz	CHYZGHKEPAIXHO-BDAKNGLRSA-N	0	0	192.262	3.006	10	0		AGAERN
CC(C)Sc1ccc(N(C)C)cc1	84918128	573637598	/nfs/dbraw/zinc/63/75/98/573637598.db2.gz	IMKUARXMJOVSGB-UHFFFAOYSA-N	0	0	195.331	3.253	10	0		AGAERN
C[C@H]1C[C@@H](n2cccn2)CC(C)(C)C1	238461201	573637620	/nfs/dbraw/zinc/63/76/20/573637620.db2.gz	BVNQMQGZLXRKPV-WDEREUQCSA-N	0	0	192.306	3.270	10	0		AGAERN
C[C@H]1CC[C@]2(C)C(=O)CCC=C2C1	238461002	573637699	/nfs/dbraw/zinc/63/76/99/573637699.db2.gz	KIUDBTRNPYSNRV-CABZTGNLSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@H]1CC[C@@H](C(=O)C(C)C)C1	83797763	573637740	/nfs/dbraw/zinc/63/77/40/573637740.db2.gz	BFQNAEYMGRRIQS-VHSXEESVSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@@H]1CC[C@@H](C(=O)c2ccoc2)C1	83793014	573640114	/nfs/dbraw/zinc/64/01/14/573640114.db2.gz	LVHPQMWVWCJUAU-NXEZZACHSA-N	0	0	192.258	3.289	10	0		AGAERN
CC[C@@H]1CC[C@@H](C(=O)C(C)(C)C)C1	83792981	573640124	/nfs/dbraw/zinc/64/01/24/573640124.db2.gz	DQOAJNXMNTWZFZ-NXEZZACHSA-N	0	0	182.307	3.428	10	0		AGAERN
CCCC(=O)[C@@H]1CCc2ccccc21	83798653	573640149	/nfs/dbraw/zinc/64/01/49/573640149.db2.gz	OYSNKYIPBOECLQ-GFCCVEGCSA-N	0	0	188.270	3.086	10	0		AGAERN
CC[C@@H]1CC[C@H](C(=O)c2ccco2)C1	83798045	573640244	/nfs/dbraw/zinc/64/02/44/573640244.db2.gz	FHNCIOSXNYEUMJ-ZJUUUORDSA-N	0	0	192.258	3.289	10	0		AGAERN
C/C=C/CC/C=C(\CC)CCCO	213405399	573640289	/nfs/dbraw/zinc/64/02/89/573640289.db2.gz	KAYHBIABRMFWKE-OYTCOTEHSA-N	0	0	182.307	3.452	10	0		AGAERN
CC[C@H]1CC[C@H](C(=O)C(C)C)C1	83797759	573640295	/nfs/dbraw/zinc/64/02/95/573640295.db2.gz	BFQNAEYMGRRIQS-UWVGGRQHSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@H]1CC[C@H](C(=O)C(C)(C)C)C1	83792979	573640301	/nfs/dbraw/zinc/64/03/01/573640301.db2.gz	DQOAJNXMNTWZFZ-UWVGGRQHSA-N	0	0	182.307	3.428	10	0		AGAERN
CC1(c2ccc3ccccc3c2)COC1	259147227	573640421	/nfs/dbraw/zinc/64/04/21/573640421.db2.gz	SEOMOBPVVRFGRO-UHFFFAOYSA-N	0	0	198.265	3.128	10	0		AGAERN
CC[C@@H]1CC[C@@H]([C@H](O)c2ccco2)C1	83799570	573640442	/nfs/dbraw/zinc/64/04/42/573640442.db2.gz	JYBINHXIOKGRJJ-FOGDFJRCSA-N	0	0	194.274	3.139	10	0		AGAERN
Cc1ncc(C(F)F)c(F)c1Cl	238461407	573640467	/nfs/dbraw/zinc/64/04/67/573640467.db2.gz	ANPOCYFAOPHISG-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
CC(=O)c1ccc([C@@H]2C[C@H]2C)cc1	238461501	573640641	/nfs/dbraw/zinc/64/06/41/573640641.db2.gz	PAVMDVMCJXKIAG-PRHODGIISA-N	0	0	174.243	3.013	10	0		AGAERN
CC[C@H]1CC[C@H](C(=O)c2ccoc2)C1	83793012	573640650	/nfs/dbraw/zinc/64/06/50/573640650.db2.gz	LVHPQMWVWCJUAU-UWVGGRQHSA-N	0	0	192.258	3.289	10	0		AGAERN
CC1=CCC[C@]2(CC[C@H](C)CO2)C1	238461371	573640743	/nfs/dbraw/zinc/64/07/43/573640743.db2.gz	UBDJPPXBXBGYSN-RYUDHWBXSA-N	0	0	180.291	3.302	10	0		AGAERN
Cc1cc(C)c2c(c1C)CC[C@H](C)N2	238462091	573640754	/nfs/dbraw/zinc/64/07/54/573640754.db2.gz	FUYVLZADECDFCM-JTQLQIEISA-N	0	0	189.302	3.358	10	0		AGAERN
O=Cc1ccsc1-c1cccs1	75596819	573640774	/nfs/dbraw/zinc/64/07/74/573640774.db2.gz	LANQUWKFSIZRSM-UHFFFAOYSA-N	0	0	194.280	3.289	10	0		AGAERN
C/C=C\[C@@H](C)Cc1ccc(O)cc1	107553541	573640867	/nfs/dbraw/zinc/64/08/67/573640867.db2.gz	VXLWDLCKGRVDKT-UMBAGQNISA-N	0	0	176.259	3.147	10	0		AGAERN
Nc1cccc([C@H]2CC[C@H]2C(F)F)c1	257839560	573643541	/nfs/dbraw/zinc/64/35/41/573643541.db2.gz	BHVAGIYMQTYMJE-NXEZZACHSA-N	0	0	197.228	3.028	10	0		AGAERN
C[C@H]1CC(C)(C)[C@H]2C=CC=C12	238462962	573643572	/nfs/dbraw/zinc/64/35/72/573643572.db2.gz	PWFOALAVZXLDJW-WPRPVWTQSA-N	0	0	148.249	3.165	10	0		AGAERN
C[C@H]1CCC[C@H]1c1ccc(O)cc1	238462596	573643155	/nfs/dbraw/zinc/64/31/55/573643155.db2.gz	HMAKLZLLROYJHO-JOYOIKCWSA-N	0	0	176.259	3.296	10	0		AGAERN
CC(C)c1sc(=O)[nH]c1C(C)(C)C	257838833	573643172	/nfs/dbraw/zinc/64/31/72/573643172.db2.gz	JIQNICVQHLBRTM-UHFFFAOYSA-N	0	0	199.319	3.270	10	0		AGAERN
Nc1cccc([C@H]2CC[C@@H]2C(F)F)c1	257839563	573643292	/nfs/dbraw/zinc/64/32/92/573643292.db2.gz	BHVAGIYMQTYMJE-ZJUUUORDSA-N	0	0	197.228	3.028	10	0		AGAERN
Cc1cc(O)c2c(c1C)C[C@@H](C)CC2	238462760	573643368	/nfs/dbraw/zinc/64/33/68/573643368.db2.gz	UELDQVLBWSZIQO-QMMMGPOBSA-N	0	0	190.286	3.134	10	0		AGAERN
C[C@H]1C[C@@H]1C(=O)c1ccccc1Cl	83806884	573643403	/nfs/dbraw/zinc/64/34/03/573643403.db2.gz	BJIFQUFABXWSNX-CBAPKCEASA-N	0	0	194.661	3.179	10	0		AGAERN
Cc1cccc(C(=O)[C@@H]2C[C@H]2C)c1C	83807239	573643468	/nfs/dbraw/zinc/64/34/68/573643468.db2.gz	NEIZVVPZWYLQCD-BXKDBHETSA-N	0	0	188.270	3.142	10	0		AGAERN
Nc1cccc([C@@H]2CC[C@@H]2C(F)F)c1	257839561	573643486	/nfs/dbraw/zinc/64/34/86/573643486.db2.gz	BHVAGIYMQTYMJE-UWVGGRQHSA-N	0	0	197.228	3.028	10	0		AGAERN
C[C@H]1C[C@@H](C(=O)[C@@H]2C[C@@H]2C)CC[C@H]1C	83806958	573643517	/nfs/dbraw/zinc/64/35/17/573643517.db2.gz	UMLDKLMYYHQUKS-WTPMCQDGSA-N	0	0	194.318	3.284	10	0		AGAERN
C[C@H](c1ccc(C=O)cc1)C1CCC1	259540881	573647197	/nfs/dbraw/zinc/64/71/97/573647197.db2.gz	BRZUBTPYUCXZQR-JTQLQIEISA-N	0	0	188.270	3.403	10	0		AGAERN
CC1CCC(C(=O)[C@@H]2C[C@H]2C)CC1	83807311	573647338	/nfs/dbraw/zinc/64/73/38/573647338.db2.gz	QRTRHXCAIODRHU-VGRIYTJTSA-N	0	0	180.291	3.038	10	0		AGAERN
CC[C@@H](/C=C/CCO)[Si](C)(C)C	238296361	573647394	/nfs/dbraw/zinc/64/73/94/573647394.db2.gz	VGBVUSLEYIHWQD-PCGIRMHASA-N	0	0	186.371	3.043	10	0		AGAERN
C[C@@H]1C[C@H]1[C@H](O)c1cccc(Cl)c1	83807610	573647454	/nfs/dbraw/zinc/64/74/54/573647454.db2.gz	RYRGHROCKNTIDJ-AVPPRXQKSA-N	0	0	196.677	3.029	10	0		AGAERN
CC(C)[C@](C)(F)c1cccc(N)c1	259540986	573647535	/nfs/dbraw/zinc/64/75/35/573647535.db2.gz	BSLGYSZFQGCKAM-NSHDSACASA-N	0	0	181.254	3.110	10	0		AGAERN
CC(C)=C[C@@]1(O)CCCCC1(C)C	86849607	573647630	/nfs/dbraw/zinc/64/76/30/573647630.db2.gz	FZVOIMGJOAFLHU-LBPRGKRZSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)C(=O)[C@@H]1CCCCC1(C)C	86849338	573647651	/nfs/dbraw/zinc/64/76/51/573647651.db2.gz	RPLZHSUOCBAVHT-JTQLQIEISA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)C[C@]1(O)CCCCC1(C)C	86849219	573647693	/nfs/dbraw/zinc/64/76/93/573647693.db2.gz	GRUNFTOJMNNHOI-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(=O)[C@H]1CCCCC1(C)C	86849336	573647701	/nfs/dbraw/zinc/64/77/01/573647701.db2.gz	OLOKSSQSJGUCFK-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
C[C@H]1[C@H](O)CCC12CCCCCC2	238465963	573649387	/nfs/dbraw/zinc/64/93/87/573649387.db2.gz	RBYJOPUVTYLSIP-WDEREUQCSA-N	0	0	182.307	3.118	10	0		AGAERN
CCc1ccc(CC(C)(F)F)cc1	258835358	573648690	/nfs/dbraw/zinc/64/86/90/573648690.db2.gz	PMZWYVDBBBRJFS-UHFFFAOYSA-N	0	0	184.229	3.447	10	0		AGAERN
C[C@H]1CCC[C@]2(C)C(=O)CCC=C12	238466727	573648745	/nfs/dbraw/zinc/64/87/45/573648745.db2.gz	PMCXRSAJFTVUJZ-CABZTGNLSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@]1(C)Nc2cc(O)ccc2[C@H]1C	258075242	573648819	/nfs/dbraw/zinc/64/88/19/573648819.db2.gz	HECZSRUMFDDZHC-PELKAZGASA-N	0	0	191.274	3.090	10	0		AGAERN
CC1(C)CSc2c(F)cccc2N1	259150728	573648860	/nfs/dbraw/zinc/64/88/60/573648860.db2.gz	HVKNIBYXVYELTE-UHFFFAOYSA-N	0	0	197.278	3.122	10	0		AGAERN
Cc1ccc2c(c1)SC1(CC1)CN2	259150911	573648935	/nfs/dbraw/zinc/64/89/35/573648935.db2.gz	HYRJLURUDMOYEI-UHFFFAOYSA-N	0	0	191.299	3.045	10	0		AGAERN
CC[C@H](C)[C@]1(O)CCCCC1(C)C	86849430	573648990	/nfs/dbraw/zinc/64/89/90/573648990.db2.gz	GZWOEHHWKZUCTP-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)[C@@H](O)[C@@H]1CCCCC1(C)C	86849597	573649109	/nfs/dbraw/zinc/64/91/09/573649109.db2.gz	VHMVGCSTDQSLLI-WDEREUQCSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC[C@@]1(O)CCCCC1(C)C	86849260	573649138	/nfs/dbraw/zinc/64/91/38/573649138.db2.gz	CEKADGSLYHSNMS-LLVKDONJSA-N	0	0	170.296	3.118	10	0		AGAERN
CC1=CCC(=C(C)C)C[C@@H]1[C@@H](C)O	238466661	573649149	/nfs/dbraw/zinc/64/91/49/573649149.db2.gz	YZPQRQSTPXSGLP-PWSUYJOCSA-N	0	0	180.291	3.060	10	0		AGAERN
CC(C)[C@H](O)[C@@H]1CCCCC1(C)C	86849594	573649206	/nfs/dbraw/zinc/64/92/06/573649206.db2.gz	VHMVGCSTDQSLLI-QWRGUYRKSA-N	0	0	184.323	3.220	10	0		AGAERN
Nc1cccc([C@@H](CF)C2CCC2)c1	259540911	573649234	/nfs/dbraw/zinc/64/92/34/573649234.db2.gz	BRZUZRRYXLNDMR-LBPRGKRZSA-N	0	0	193.265	3.122	10	0		AGAERN
Nc1cccc([C@H](CF)C2CCC2)c1	259540902	573649246	/nfs/dbraw/zinc/64/92/46/573649246.db2.gz	BRZUZRRYXLNDMR-GFCCVEGCSA-N	0	0	193.265	3.122	10	0		AGAERN
CCC1CCC([C@H](O)[C@@H]2C[C@@H]2C)CC1	83807600	573649318	/nfs/dbraw/zinc/64/93/18/573649318.db2.gz	OHIGPIIMKBWIAN-NVNOCSQKSA-N	0	0	196.334	3.220	10	0		AGAERN
CC1(C)CCCc2sc(=S)[nH]c21	86848267	573651437	/nfs/dbraw/zinc/65/14/37/573651437.db2.gz	QISJVDWFBCFVEX-UHFFFAOYSA-N	0	0	199.344	3.046	10	0		AGAERN
CC(C)[C@@H](O)[C@H](C)CC1CCCC1	689816665	573651671	/nfs/dbraw/zinc/65/16/71/573651671.db2.gz	CUUSJSOEIVCIGU-ZYHUDNBSSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@@H](C)[C@@]1(O)CCCCC1(C)C	86849433	573651720	/nfs/dbraw/zinc/65/17/20/573651720.db2.gz	GZWOEHHWKZUCTP-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CSCc1coc2cccc(O)c12	258836526	573651727	/nfs/dbraw/zinc/65/17/27/573651727.db2.gz	RXPYKHUSTHQOGV-UHFFFAOYSA-N	0	0	194.255	3.001	10	0		AGAERN
CC(C)=C[C@]1(O)CCCCC1(C)C	86849605	573651751	/nfs/dbraw/zinc/65/17/51/573651751.db2.gz	FZVOIMGJOAFLHU-GFCCVEGCSA-N	0	0	182.307	3.284	10	0		AGAERN
CC1CCC(C(=O)[C@H]2C[C@H]2C)CC1	83807312	573651807	/nfs/dbraw/zinc/65/18/07/573651807.db2.gz	QRTRHXCAIODRHU-DJRKXVOMSA-N	0	0	180.291	3.038	10	0		AGAERN
CC[C@]1(C)Nc2cc(O)ccc2[C@@H]1C	258075261	573651897	/nfs/dbraw/zinc/65/18/97/573651897.db2.gz	HECZSRUMFDDZHC-UFBFGSQYSA-N	0	0	191.274	3.090	10	0		AGAERN
CC1CCC(C(=O)[C@@H]2C[C@@H]2C)CC1	83807307	573651900	/nfs/dbraw/zinc/65/19/00/573651900.db2.gz	QRTRHXCAIODRHU-QONHTCSSSA-N	0	0	180.291	3.038	10	0		AGAERN
C[C@@H]1C[C@@H]1[C@H](O)c1ccccc1Cl	83808043	573651992	/nfs/dbraw/zinc/65/19/92/573651992.db2.gz	IQYGHBZQXZJSTG-POZPLHJXSA-N	0	0	196.677	3.029	10	0		AGAERN
C[C@@H]1C[C@H]1[C@H](O)c1ccccc1Cl	83808045	573651997	/nfs/dbraw/zinc/65/19/97/573651997.db2.gz	IQYGHBZQXZJSTG-BCMRRPTOSA-N	0	0	196.677	3.029	10	0		AGAERN
CNc1nc(CCCC(C)C)cs1	258841529	573652207	/nfs/dbraw/zinc/65/22/07/573652207.db2.gz	PUPIYCDYVLVZNL-UHFFFAOYSA-N	0	0	198.335	3.164	10	0		AGAERN
CC(=O)c1cccc([C@H](C)C2CC2)c1	259543295	573652890	/nfs/dbraw/zinc/65/28/90/573652890.db2.gz	BZGPIFXYYIAAOP-SECBINFHSA-N	0	0	188.270	3.403	10	0		AGAERN
CC[C@H](O)c1ccc(C(F)F)cc1	96867660	573653616	/nfs/dbraw/zinc/65/36/16/573653616.db2.gz	WLOOLYVVILBXGQ-VIFPVBQESA-N	0	0	186.201	3.068	10	0		AGAERN
C[C@@H]1c2ccc(O)cc2C(C)(C)[C@H]1C	238458512	573653441	/nfs/dbraw/zinc/65/34/41/573653441.db2.gz	GZLBBWRGVQPPCK-IUCAKERBSA-N	0	0	190.286	3.423	10	0		AGAERN
C[C@H]1Cc2c(ccc3ccccc23)N1	238458769	573653530	/nfs/dbraw/zinc/65/35/30/573653530.db2.gz	YHMNYLSHLCUEEK-VIFPVBQESA-N	0	0	183.254	3.196	10	0		AGAERN
CCC[C@@H](O)[C@@H](C)CC1CCCC1	689816728	573653532	/nfs/dbraw/zinc/65/35/32/573653532.db2.gz	DMUOGJIJRRRZFS-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
Clc1ccc(Oc2cnoc2)cc1	258505501	573654885	/nfs/dbraw/zinc/65/48/85/573654885.db2.gz	MGUPXEXUOFGCMJ-UHFFFAOYSA-N	0	0	195.605	3.120	10	0		AGAERN
CCC[C@@H](O)[C@H](C)CC1CCCC1	689816736	573654974	/nfs/dbraw/zinc/65/49/74/573654974.db2.gz	DMUOGJIJRRRZFS-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@H](O)[C@H](C)CC1CCCC1	689816734	573654982	/nfs/dbraw/zinc/65/49/82/573654982.db2.gz	DMUOGJIJRRRZFS-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC1(C)CCC[C@H]1Nc1cccnc1	86855646	573655500	/nfs/dbraw/zinc/65/55/00/573655500.db2.gz	CHYDVYMPLDOLOQ-LLVKDONJSA-N	0	0	190.290	3.072	10	0		AGAERN
CCOCc1coc2cccc(F)c12	258852469	573657304	/nfs/dbraw/zinc/65/73/04/573657304.db2.gz	SMCKBJOIJAMYLB-UHFFFAOYSA-N	0	0	194.205	3.108	10	0		AGAERN
C[C@H]1CC=CC[C@]12CCCCC2=O	238471010	573657396	/nfs/dbraw/zinc/65/73/96/573657396.db2.gz	SRWMXTQQCZHAJI-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1ccc(C)c2c(Cl)c[nH]c12	238458921	573657431	/nfs/dbraw/zinc/65/74/31/573657431.db2.gz	FMGRIQOEGCDSEH-UHFFFAOYSA-N	0	0	179.650	3.438	10	0		AGAERN
C[C@@H](c1ccc(N)cc1)C1CCC1	259545373	573657520	/nfs/dbraw/zinc/65/75/20/573657520.db2.gz	CAKFYODBHQAEHO-SECBINFHSA-N	0	0	175.275	3.172	10	0		AGAERN
CCCC(=O)c1ccc2cc[nH]c2c1	107839600	573657921	/nfs/dbraw/zinc/65/79/21/573657921.db2.gz	RDSZNNHNNOFEJV-UHFFFAOYSA-N	0	0	187.242	3.151	10	0		AGAERN
C=CC(C)=C=C[C@H]1CCCC(=O)C1	224503231	573658854	/nfs/dbraw/zinc/65/88/54/573658854.db2.gz	GFRJIWSBMXONMB-PLNQYNMKSA-N	0	0	176.259	3.033	10	0		AGAERN
C[C@@H](O)c1cc2cccc(Cl)c2o1	83815400	573658915	/nfs/dbraw/zinc/65/89/15/573658915.db2.gz	MVOHKWYJCIMWER-ZCFIWIBFSA-N	0	0	196.633	3.140	10	0		AGAERN
Cc1cc(C)c2oc([C@@H](C)O)cc2c1	83819619	573658115	/nfs/dbraw/zinc/65/81/15/573658115.db2.gz	UEZNPPLJOJQACO-SECBINFHSA-N	0	0	190.242	3.103	10	0		AGAERN
CCc1cccc2cc([C@H](C)O)oc12	83819721	573658143	/nfs/dbraw/zinc/65/81/43/573658143.db2.gz	QHFAKMGYALEGMV-QMMMGPOBSA-N	0	0	190.242	3.049	10	0		AGAERN
Cc1ccc(C)c2c1N[C@@H]1CCC[C@H]21	238472660	573658162	/nfs/dbraw/zinc/65/81/62/573658162.db2.gz	FBGBENQLJONCPX-WDEREUQCSA-N	0	0	187.286	3.365	10	0		AGAERN
C[C@@H](O)[C@H]1CCC2=C(CCCC2)C1	238472630	573658219	/nfs/dbraw/zinc/65/82/19/573658219.db2.gz	HIHAGYKXHPFJQI-KOLCDFICSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(C)c1ccc2oc(CO)cc2c1	83819560	573658436	/nfs/dbraw/zinc/65/84/36/573658436.db2.gz	RBYNCAFFJYORJQ-UHFFFAOYSA-N	0	0	190.242	3.049	10	0		AGAERN
Cc1cc(C)c2oc([C@H](C)O)cc2c1	83819620	573658792	/nfs/dbraw/zinc/65/87/92/573658792.db2.gz	UEZNPPLJOJQACO-VIFPVBQESA-N	0	0	190.242	3.103	10	0		AGAERN
CC[C@H](O)c1cc2cc(F)ccc2o1	83815418	573659222	/nfs/dbraw/zinc/65/92/22/573659222.db2.gz	OHBXMMIJVVYGDN-VIFPVBQESA-N	0	0	194.205	3.015	10	0		AGAERN
CC1(C)CCC[C@]1(O)c1ccccc1	86867339	573659265	/nfs/dbraw/zinc/65/92/65/573659265.db2.gz	UGLYEBMRFWRLRK-ZDUSSCGKSA-N	0	0	190.286	3.084	10	0		AGAERN
Cc1ccc(C)c2c(C=O)ccc-2c1	238472454	573659276	/nfs/dbraw/zinc/65/92/76/573659276.db2.gz	IJKIIICXBAGQGS-UHFFFAOYSA-N	0	0	184.238	3.221	10	0		AGAERN
Oc1ccc([C@@H]2CCC[C@@H]2CF)cc1	259545751	573659307	/nfs/dbraw/zinc/65/93/07/573659307.db2.gz	CCJXRFIGYXEHFW-PWSUYJOCSA-N	0	0	194.249	3.245	10	0		AGAERN
CCCCCNc1ccc(N)c(F)c1	258849504	573659471	/nfs/dbraw/zinc/65/94/71/573659471.db2.gz	BFNSQBJPDCRCKS-UHFFFAOYSA-N	0	0	196.269	3.010	10	0		AGAERN
CCC(=O)c1cc2cccc(F)c2o1	83815138	573659494	/nfs/dbraw/zinc/65/94/94/573659494.db2.gz	JKZBWLMSAVPTBB-UHFFFAOYSA-N	0	0	192.189	3.165	10	0		AGAERN
CC[C@H](C)C[C@@]1(O)CCCC1(C)C	86867139	573659591	/nfs/dbraw/zinc/65/95/91/573659591.db2.gz	UVKHRNLMAASHDQ-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
CC1(C)CCC[C@@]1(O)c1ccsc1	86867221	573659598	/nfs/dbraw/zinc/65/95/98/573659598.db2.gz	NOEIRFWADPQYMN-LLVKDONJSA-N	0	0	196.315	3.146	10	0		AGAERN
CC1(C)CCC[C@]1(O)c1ccsc1	86867220	573659652	/nfs/dbraw/zinc/65/96/52/573659652.db2.gz	NOEIRFWADPQYMN-NSHDSACASA-N	0	0	196.315	3.146	10	0		AGAERN
CCc1cccc2cc([C@@H](C)O)oc12	83819718	573659696	/nfs/dbraw/zinc/65/96/96/573659696.db2.gz	QHFAKMGYALEGMV-MRVPVSSYSA-N	0	0	190.242	3.049	10	0		AGAERN
CC(C)(C)[C@@](C)(F)c1ccccc1N	257842998	573659700	/nfs/dbraw/zinc/65/97/00/573659700.db2.gz	CHHJATOOUAPODM-LBPRGKRZSA-N	0	0	195.281	3.500	10	0		AGAERN
C[C@H](O)[C@H](F)CC1CCCCCC1	257843359	573662602	/nfs/dbraw/zinc/66/26/02/573662602.db2.gz	MXXOZZDJDFVGIP-GXSJLCMTSA-N	0	0	188.286	3.066	10	0		AGAERN
Cc1cc(C)c2cc([C@H](C)O)oc2c1	83815425	573662819	/nfs/dbraw/zinc/66/28/19/573662819.db2.gz	NFVLUFPUCSELJI-VIFPVBQESA-N	0	0	190.242	3.103	10	0		AGAERN
CCC(=O)c1cc2cc(F)ccc2o1	83815162	573662853	/nfs/dbraw/zinc/66/28/53/573662853.db2.gz	QWMLVFUCPRAJIV-UHFFFAOYSA-N	0	0	192.189	3.165	10	0		AGAERN
C=CC(C)=C=C[C@@H]1CCCC(=O)C1	224503184	573662930	/nfs/dbraw/zinc/66/29/30/573662930.db2.gz	GFRJIWSBMXONMB-QRIDDKLISA-N	0	0	176.259	3.033	10	0		AGAERN
CC1(C)CCC[C@@]1(O)C1CCCC1	86867351	573662981	/nfs/dbraw/zinc/66/29/81/573662981.db2.gz	BKKQQXXNOCFOKM-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1ccc2cc([C@@H](C)O)oc2c1C	83815492	573663003	/nfs/dbraw/zinc/66/30/03/573663003.db2.gz	IRMJDERRTWKPNR-SECBINFHSA-N	0	0	190.242	3.103	10	0		AGAERN
Cc1ccc(C)c2c1N[C@H]1CCC[C@H]21	238472642	573663039	/nfs/dbraw/zinc/66/30/39/573663039.db2.gz	FBGBENQLJONCPX-QWRGUYRKSA-N	0	0	187.286	3.365	10	0		AGAERN
Oc1ccc([C@H]2CCC[C@@H]2CF)cc1	259545753	573663118	/nfs/dbraw/zinc/66/31/18/573663118.db2.gz	CCJXRFIGYXEHFW-ZYHUDNBSSA-N	0	0	194.249	3.245	10	0		AGAERN
Cc1ccc2cc([C@H](C)O)oc2c1C	83815493	573663245	/nfs/dbraw/zinc/66/32/45/573663245.db2.gz	IRMJDERRTWKPNR-VIFPVBQESA-N	0	0	190.242	3.103	10	0		AGAERN
Nc1ccc(Cl)c2sccc12	96916796	573663464	/nfs/dbraw/zinc/66/34/64/573663464.db2.gz	IEZGUDJVUBQAKE-UHFFFAOYSA-N	0	0	183.663	3.137	10	0		AGAERN
CC[C@H](C)C[C@@](O)(CC)C(F)(F)F	43367788	573665155	/nfs/dbraw/zinc/66/51/55/573665155.db2.gz	MZDZGTHFMMJGHB-YUMQZZPRSA-N	0	0	198.228	3.126	10	0		AGAERN
Cc1c(Cl)cnc(C(F)F)c1F	238475109	573665581	/nfs/dbraw/zinc/66/55/81/573665581.db2.gz	HCPJPNZCVDZHCV-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
CCCCCNc1ccsc1	83823720	573665584	/nfs/dbraw/zinc/66/55/84/573665584.db2.gz	SWOJXXRSCNLGBD-UHFFFAOYSA-N	0	0	169.293	3.350	10	0		AGAERN
CC[C@H](C)[C@H]1CCc2ccccc2N1	83824005	573665717	/nfs/dbraw/zinc/66/57/17/573665717.db2.gz	FXVDJUVTOZNDOX-CMPLNLGQSA-N	0	0	189.302	3.459	10	0		AGAERN
CC(C)C(=O)[C@H]1CCCC1(C)C	86869229	573667146	/nfs/dbraw/zinc/66/71/46/573667146.db2.gz	VTCIWTFNEGIZIH-SECBINFHSA-N	0	0	168.280	3.038	10	0		AGAERN
CCSc1ccc(N)c(Cl)c1	83824811	573667153	/nfs/dbraw/zinc/66/71/53/573667153.db2.gz	DEOLKTPBOZUCNU-UHFFFAOYSA-N	0	0	187.695	3.034	10	0		AGAERN
Cc1cccc(-c2c[nH]c(=S)[nH]2)c1	83824307	573667333	/nfs/dbraw/zinc/66/73/33/573667333.db2.gz	ONTDNMPRSXPRGA-UHFFFAOYSA-N	0	0	190.271	3.048	10	0		AGAERN
C=C=C1CCCCCC[C@H]1[C@H](C)O	238474532	573668243	/nfs/dbraw/zinc/66/82/43/573668243.db2.gz	GJZJFANOGBAWHN-JQWIXIFHSA-N	0	0	180.291	3.049	10	0		AGAERN
Cc1ncc(Cl)c(C(F)F)c1C	238474904	573668282	/nfs/dbraw/zinc/66/82/82/573668282.db2.gz	GJRXTDVKXCHBJW-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
CC[C@@H](C)C[C@@](O)(CC)C(F)(F)F	43367787	573668372	/nfs/dbraw/zinc/66/83/72/573668372.db2.gz	MZDZGTHFMMJGHB-SFYZADRCSA-N	0	0	198.228	3.126	10	0		AGAERN
O=Cc1cccc([C@@H]2CCCS2)c1	257844464	573668415	/nfs/dbraw/zinc/66/84/15/573668415.db2.gz	NGFBRRDZMPKWKG-NSHDSACASA-N	0	0	192.283	3.067	10	0		AGAERN
Cc1noc2cc(-c3ccccc3)[nH]c12	238489446	573668435	/nfs/dbraw/zinc/66/84/35/573668435.db2.gz	FTLBGAZNLJNSRZ-UHFFFAOYSA-N	0	0	198.225	3.131	10	0		AGAERN
CC(C)c1nc2c(s1)CC[C@H]2C	144555627	573668525	/nfs/dbraw/zinc/66/85/25/573668525.db2.gz	BQAFHZCPONIANI-SSDOTTSWSA-N	0	0	181.304	3.316	10	0		AGAERN
C[C@@H](O)[C@H]1CCCC2=C1CCCC2	238467583	573675497	/nfs/dbraw/zinc/67/54/97/573675497.db2.gz	OWSCBMSOPIIACR-MWLCHTKSSA-N	0	0	180.291	3.038	10	0		AGAERN
Cc1ccccc1[C@@H](O)CC1CCC1	83840557	573675547	/nfs/dbraw/zinc/67/55/47/573675547.db2.gz	SAZBEOSRTVRVJB-ZDUSSCGKSA-N	0	0	190.286	3.219	10	0		AGAERN
Cc1ccc([C@H](O)CC2CCC2)cc1	83840433	573676181	/nfs/dbraw/zinc/67/61/81/573676181.db2.gz	FYWZFFXXSXGDKA-CYBMUJFWSA-N	0	0	190.286	3.219	10	0		AGAERN
Cc1cccc([C@H](O)CCC(C)C)c1	43374334	573675719	/nfs/dbraw/zinc/67/57/19/573675719.db2.gz	SPYXLKCOXBQRRQ-CYBMUJFWSA-N	0	0	192.302	3.465	10	0		AGAERN
CCC/C=C1/CCc2cc(N)ccc21	86883407	573675844	/nfs/dbraw/zinc/67/58/44/573675844.db2.gz	VJJUJFODLOQWCK-WMZJFQQLSA-N	0	0	187.286	3.399	10	0		AGAERN
C[C@@H](O)[C@H]1CC[C@@H](C(C)(C)C)CC1	238468317	573675910	/nfs/dbraw/zinc/67/59/10/573675910.db2.gz	FNBYRKVLUFZUKN-GMTAPVOTSA-N	0	0	184.323	3.220	10	0		AGAERN
Nc1ccccc1SCC1CCC1	83839262	573676030	/nfs/dbraw/zinc/67/60/30/573676030.db2.gz	PGOAPCYYIJCSTB-UHFFFAOYSA-N	0	0	193.315	3.161	10	0		AGAERN
Nc1ccc2c(c1)CC/C2=C\C1CC1	86883493	573676065	/nfs/dbraw/zinc/67/60/65/573676065.db2.gz	JUAJSAUHZWQXFA-JXMROGBWSA-N	0	0	185.270	3.008	10	0		AGAERN
C[C@@H]1CCC[C@H]([C@H](O)CC2CCC2)C1	83840704	573676070	/nfs/dbraw/zinc/67/60/70/573676070.db2.gz	XHXJVLUVILMPKJ-KGYLQXTDSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1=C2CCC[C@@H]2CCC(=O)[C@H]1C	238468039	573676136	/nfs/dbraw/zinc/67/61/36/573676136.db2.gz	NPIBSYYLNFIXBW-VHSXEESVSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1ccc2c(c1)N[C@@H](C)C[C@@H]2C	238469910	573678550	/nfs/dbraw/zinc/67/85/50/573678550.db2.gz	DFESBQGBLTWVSC-UWVGGRQHSA-N	0	0	175.275	3.303	10	0		AGAERN
O[C@H](CC1CCC1)c1ccccc1F	83840795	573678634	/nfs/dbraw/zinc/67/86/34/573678634.db2.gz	ULMGVCKFJBIQQU-GFCCVEGCSA-N	0	0	194.249	3.049	10	0		AGAERN
CC(C)n1ccc2nc(Cl)ccc21	258089126	573678733	/nfs/dbraw/zinc/67/87/33/573678733.db2.gz	MVWPSRLGOXSBHO-UHFFFAOYSA-N	0	0	194.665	3.271	10	0		AGAERN
C[C@@H]1Cc2c(ccc3ccccc23)N1	238468752	573678817	/nfs/dbraw/zinc/67/88/17/573678817.db2.gz	YHMNYLSHLCUEEK-SECBINFHSA-N	0	0	183.254	3.196	10	0		AGAERN
CCc1cccc(NCC2CCC2)c1	83838313	573678868	/nfs/dbraw/zinc/67/88/68/573678868.db2.gz	ANZVIYQWVMAYIN-UHFFFAOYSA-N	0	0	189.302	3.461	10	0		AGAERN
CC(C)SCc1ccc(F)c(N)c1	258079578	573678914	/nfs/dbraw/zinc/67/89/14/573678914.db2.gz	IDQVKTRCFOBIFT-UHFFFAOYSA-N	0	0	199.294	3.050	10	0		AGAERN
CC1=CSc2nc(Cl)ccc2N1	197454583	573679076	/nfs/dbraw/zinc/67/90/76/573679076.db2.gz	TWHDAERNGIYYAJ-UHFFFAOYSA-N	0	0	198.678	3.114	10	0		AGAERN
Cc1ccc2c(c1)[C@@H](C)C(C)(C)N2	258091663	573679099	/nfs/dbraw/zinc/67/90/99/573679099.db2.gz	ICLGPMOAYPRYRU-SECBINFHSA-N	0	0	175.275	3.303	10	0		AGAERN
Cc1cc(C)c(Cl)c([C@H](C)O)c1	108000452	573681360	/nfs/dbraw/zinc/68/13/60/573681360.db2.gz	LVQOVNISDWWXMR-QMMMGPOBSA-N	0	0	184.666	3.010	10	0		AGAERN
CC1CCC([C@H](O)CC2CCC2)CC1	83840713	573681439	/nfs/dbraw/zinc/68/14/39/573681439.db2.gz	AVRNSAPTQFWGNO-KGPNIALWSA-N	0	0	196.334	3.364	10	0		AGAERN
O[C@@H](CC1CCC1)c1ccc(F)cc1	83840411	573681532	/nfs/dbraw/zinc/68/15/32/573681532.db2.gz	HKNNUHUYWLOUJQ-LBPRGKRZSA-N	0	0	194.249	3.049	10	0		AGAERN
O=C(CC1CCC1)c1cccc(F)c1	83840019	573681568	/nfs/dbraw/zinc/68/15/68/573681568.db2.gz	QWSMUOGTVUEMFU-UHFFFAOYSA-N	0	0	192.233	3.199	10	0		AGAERN
CC[C@@H](C)[C@@H](O)Cc1csc(C)c1	393547605	573681884	/nfs/dbraw/zinc/68/18/84/573681884.db2.gz	JTWUVHWIOBLLCY-KCJUWKMLSA-N	0	0	198.331	3.006	10	0		AGAERN
C[C@@H](O)c1c(Cl)ccc2occc12	258090884	573681968	/nfs/dbraw/zinc/68/19/68/573681968.db2.gz	NZQZWQHACCGQLN-ZCFIWIBFSA-N	0	0	196.633	3.140	10	0		AGAERN
C[C@H]1CC[C@@](O)(C2=CCCCC2)C1	235634588	573685403	/nfs/dbraw/zinc/68/54/03/573685403.db2.gz	OUMAIJKHCANKEE-JQWIXIFHSA-N	0	0	180.291	3.038	10	0		AGAERN
CC[C@H](C)Nc1c(C)ccnc1Cl	83852204	573685421	/nfs/dbraw/zinc/68/54/21/573685421.db2.gz	DHDPTSBNXQGDQD-QMMMGPOBSA-N	0	0	198.697	3.254	10	0		AGAERN
CC[C@H](C)[C@@H](O)CC1(C)CCCC1	393548561	573685463	/nfs/dbraw/zinc/68/54/63/573685463.db2.gz	LTTOEWLYGXIAHW-QWRGUYRKSA-N	0	0	184.323	3.364	10	0		AGAERN
CC1(C)CC(=O)c2cc(Cl)ccc21	78946116	573685526	/nfs/dbraw/zinc/68/55/26/573685526.db2.gz	MUFMUQNWQZAMMW-UHFFFAOYSA-N	0	0	194.661	3.204	10	0		AGAERN
Cc1cn(CC2CCC2)c(C)c1C	83842138	573685578	/nfs/dbraw/zinc/68/55/78/573685578.db2.gz	QKUUJBAEGTXLQZ-UHFFFAOYSA-N	0	0	177.291	3.213	10	0		AGAERN
C/C=C(/C)[C@]1(C)Cc2ccccc2N1	237983443	573685775	/nfs/dbraw/zinc/68/57/75/573685775.db2.gz	FGOKEWRDEFLOEB-FSIMMPEJSA-N	0	0	187.286	3.380	10	0		AGAERN
CC1=C2CCC[C@H]2CCC(=O)[C@@H]1C	238470841	573685832	/nfs/dbraw/zinc/68/58/32/573685832.db2.gz	NPIBSYYLNFIXBW-ZJUUUORDSA-N	0	0	178.275	3.102	10	0		AGAERN
C/C=C(\C1=CCCCC1)[C@H](O)C(C)C	237988644	573686036	/nfs/dbraw/zinc/68/60/36/573686036.db2.gz	PKHJBDWZTZIGSW-YKAQBRKTSA-N	0	0	194.318	3.450	10	0		AGAERN
Cc1ccc(OCC2CCC2)c(C)c1	83842177	573687484	/nfs/dbraw/zinc/68/74/84/573687484.db2.gz	MYSBNUUUOSESFJ-UHFFFAOYSA-N	0	0	190.286	3.482	10	0		AGAERN
CCOCc1c[nH]c2cccc(C)c12	257847544	573690711	/nfs/dbraw/zinc/69/07/11/573690711.db2.gz	APYDKHYCBBLMNX-UHFFFAOYSA-N	0	0	189.258	3.013	10	0		AGAERN
CC[C@H](C)[C@H]1CCC=CCC[C@H]1O	393550250	573690968	/nfs/dbraw/zinc/69/09/68/573690968.db2.gz	OZUMHRJTSZSQKF-QJPTWQEYSA-N	0	0	182.307	3.140	10	0		AGAERN
C[C@@H]1c2cccc(F)c2NC1(C)C	258094381	573691937	/nfs/dbraw/zinc/69/19/37/573691937.db2.gz	IFIIUOSOFCFURH-SSDOTTSWSA-N	0	0	179.238	3.133	10	0		AGAERN
Cc1[nH]c2c(F)c(F)ccc2c1C	238479882	573692114	/nfs/dbraw/zinc/69/21/14/573692114.db2.gz	OGFKMLWZDVEHTE-UHFFFAOYSA-N	0	0	181.185	3.063	10	0		AGAERN
C[C@H]1c2cccc(F)c2NC1(C)C	258094382	573692299	/nfs/dbraw/zinc/69/22/99/573692299.db2.gz	IFIIUOSOFCFURH-ZETCQYMHSA-N	0	0	179.238	3.133	10	0		AGAERN
Cc1ccc2[nH]cc(-c3cc[nH]c3)c2c1	238494504	573693017	/nfs/dbraw/zinc/69/30/17/573693017.db2.gz	AAUFMTHKYLNWJF-UHFFFAOYSA-N	0	0	196.253	3.471	10	0		AGAERN
Nc1sccc1-c1ccc(F)cc1	258094391	573693108	/nfs/dbraw/zinc/69/31/08/573693108.db2.gz	JYZOCFXEYBLPQA-UHFFFAOYSA-N	0	0	193.246	3.136	10	0		AGAERN
CSc1c(C)cc(C)c(C=O)c1C	78971535	573693134	/nfs/dbraw/zinc/69/31/34/573693134.db2.gz	UXEKJIWCJGVYRL-UHFFFAOYSA-N	0	0	194.299	3.146	10	0		AGAERN
CC=C(C)Nc1ccc(C)cc1	237977710	573693208	/nfs/dbraw/zinc/69/32/08/573693208.db2.gz	WSNFZHUBJKOILW-WMZJFQQLSA-N	0	0	161.248	3.331	10	0		AGAERN
OC1(CCC2CC2)CCCCCC1	236479442	573693397	/nfs/dbraw/zinc/69/33/97/573693397.db2.gz	BDNYPMUVQQPOIT-UHFFFAOYSA-N	0	0	182.307	3.262	10	0		AGAERN
C[C@H]1CCC2=C1CCC(=O)C[C@H]2C	238481082	573693445	/nfs/dbraw/zinc/69/34/45/573693445.db2.gz	QOGJBDFANDULAU-DTWKUNHWSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1[nH]c2c(F)ccc(F)c2c1C	238480795	573693514	/nfs/dbraw/zinc/69/35/14/573693514.db2.gz	IWMUHWFQWGLXNF-UHFFFAOYSA-N	0	0	181.185	3.063	10	0		AGAERN
C/C=C(/C)[C@@H](C)Nc1ccccc1	237977862	573695019	/nfs/dbraw/zinc/69/50/19/573695019.db2.gz	JDKSPNGFUGTIKI-NEOSZVFXSA-N	0	0	175.275	3.453	10	0		AGAERN
C/C(Cl)=C/C[C@@H](O)c1ccccc1	238481025	573694494	/nfs/dbraw/zinc/69/44/94/573694494.db2.gz	UWXYQABETKXMNC-GXMKHXEJSA-N	0	0	196.677	3.253	10	0		AGAERN
C/C=C/C(C)=C/c1ccccc1CO	237996619	573696763	/nfs/dbraw/zinc/69/67/63/573696763.db2.gz	KZXYMQPNDQMDEB-YWAAFRSESA-N	0	0	188.270	3.158	10	0		AGAERN
C[C@H](F)c1cc(C=O)c(Cl)s1	257851275	573696823	/nfs/dbraw/zinc/69/68/23/573696823.db2.gz	OYZYMBRUYMMTKD-BYPYZUCNSA-N	0	0	192.642	3.245	10	0		AGAERN
C[C@H]1CCC2=C1CCC(=O)C[C@@H]2C	238481070	573696287	/nfs/dbraw/zinc/69/62/87/573696287.db2.gz	QOGJBDFANDULAU-IUCAKERBSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1=CCC[C@H](C)[C@@]12CCC(=O)C2	238481994	573696403	/nfs/dbraw/zinc/69/64/03/573696403.db2.gz	PRDNOXGWMSOITL-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1nc(N)oc1C1CCCCCC1	257851316	573696404	/nfs/dbraw/zinc/69/64/04/573696404.db2.gz	OZSHJFBLZUHKCR-UHFFFAOYSA-N	0	0	194.278	3.003	10	0		AGAERN
Cc1c(C(F)F)ncc(Cl)c1F	238481413	573696510	/nfs/dbraw/zinc/69/65/10/573696510.db2.gz	BMDXQSAESJSBKU-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
Clc1cccc(Oc2cnoc2)c1	258416307	573696536	/nfs/dbraw/zinc/69/65/36/573696536.db2.gz	JAAWRGZTQKECAF-UHFFFAOYSA-N	0	0	195.605	3.120	10	0		AGAERN
Cc1ccc(Cl)c2cnsc12	238483901	573703067	/nfs/dbraw/zinc/70/30/67/573703067.db2.gz	JXWFNNCNZYGVHH-UHFFFAOYSA-N	0	0	183.663	3.258	10	0		AGAERN
C/C=C/C(C)(C)[C@H](O)c1ccccc1	237996071	573702332	/nfs/dbraw/zinc/70/23/32/573702332.db2.gz	HHONSBKXCRDGLR-LHJMJDNXSA-N	0	0	190.286	3.322	10	0		AGAERN
CCc1ccsc1C(=O)C1CCC1	122151502	573703571	/nfs/dbraw/zinc/70/35/71/573703571.db2.gz	RALUKULSTCXVCG-UHFFFAOYSA-N	0	0	194.299	3.293	10	0		AGAERN
Nc1ccccc1[C@@H]1CCC(F)(F)C1	258099555	573703644	/nfs/dbraw/zinc/70/36/44/573703644.db2.gz	NRZXRTYZZBTETR-MRVPVSSYSA-N	0	0	197.228	3.172	10	0		AGAERN
CC(=O)/C=C(\C)c1csc(C)c1	381384111	573703767	/nfs/dbraw/zinc/70/37/67/573703767.db2.gz	PZKZSBFPRYCVRE-QPJJXVBHSA-N	0	0	180.272	3.049	10	0		AGAERN
Cc1ccc(-c2ncsc2C)cc1	108238220	573703804	/nfs/dbraw/zinc/70/38/04/573703804.db2.gz	MBVRNVDVJMRYAE-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
COCc1csc2cc(F)ccc12	258088584	573703857	/nfs/dbraw/zinc/70/38/57/573703857.db2.gz	RAMJJIPDODTKMH-UHFFFAOYSA-N	0	0	196.246	3.187	10	0		AGAERN
C[C@H]1Cc2cccc(C(C)(C)C)c2N1	238483824	573703892	/nfs/dbraw/zinc/70/38/92/573703892.db2.gz	JSTGVTGXOMFVQQ-VIFPVBQESA-N	0	0	189.302	3.341	10	0		AGAERN
Cc1cc2c(cc1C)NCCC=C2	238483591	573704000	/nfs/dbraw/zinc/70/40/00/573704000.db2.gz	LNWJRCMIKPJPKH-UHFFFAOYSA-N	0	0	173.259	3.132	10	0		AGAERN
O[C@H](C1=CCCCCCC1)C1CCC1	236525757	573704035	/nfs/dbraw/zinc/70/40/35/573704035.db2.gz	BMWQDSOHNCYZNV-CYBMUJFWSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@H](O)c1csc2cccc(F)c12	257849079	573704050	/nfs/dbraw/zinc/70/40/50/573704050.db2.gz	DQIBAPMFMITXRD-LURJTMIESA-N	0	0	196.246	3.094	10	0		AGAERN
C1=C(OC2CCC2)CCCCC1	238013006	573704157	/nfs/dbraw/zinc/70/41/57/573704157.db2.gz	BYTXEOJZAQVFGS-UHFFFAOYSA-N	0	0	166.264	3.404	10	0		AGAERN
CC1=CCC[C@@]12C(=O)CCC[C@@H]2C	238484168	573704226	/nfs/dbraw/zinc/70/42/26/573704226.db2.gz	RJTQYBVKQZCLPW-CABZTGNLSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1ccc(OC2CCCC2)c(F)c1	238483729	573704304	/nfs/dbraw/zinc/70/43/04/573704304.db2.gz	PHLCUBIIWOACGW-UHFFFAOYSA-N	0	0	194.249	3.456	10	0		AGAERN
C1=C(OC2CC2)CCCCC1	238012961	573704316	/nfs/dbraw/zinc/70/43/16/573704316.db2.gz	NEIJWOZBDXUNNZ-UHFFFAOYSA-N	0	0	152.237	3.013	10	0		AGAERN
Oc1ccccc1[C@@H]1CCCCS1	257849875	573705849	/nfs/dbraw/zinc/70/58/49/573705849.db2.gz	OPHHDJGZNJNILP-NSHDSACASA-N	0	0	194.299	3.350	10	0		AGAERN
CCn1nc(Cl)c2c(C)cccc21	257849863	573705923	/nfs/dbraw/zinc/70/59/23/573705923.db2.gz	OOXCPFHZXADYHQ-UHFFFAOYSA-N	0	0	194.665	3.018	10	0		AGAERN
c1cn2c(C3CCCC3)ncc2s1	75840787	573706518	/nfs/dbraw/zinc/70/65/18/573706518.db2.gz	DXWATJPXMITPJX-UHFFFAOYSA-N	0	0	192.287	3.053	10	0		AGAERN
O[C@@H]1CCCCC[C@@H]1C/C=C/Cl	236529904	573706015	/nfs/dbraw/zinc/70/60/15/573706015.db2.gz	BMQMJZZKYGNPRT-PSVJHUJZSA-N	0	0	188.698	3.070	10	0		AGAERN
Cc1ccccc1[C@@H](O)CCC1CC1	83936276	573706044	/nfs/dbraw/zinc/70/60/44/573706044.db2.gz	XABWKSYWFFDZPT-ZDUSSCGKSA-N	0	0	190.286	3.219	10	0		AGAERN
CC1(C)C(C(=O)C2CCC2)C1(C)C	122151762	573706082	/nfs/dbraw/zinc/70/60/82/573706082.db2.gz	BKOMPPOZKQDTSE-UHFFFAOYSA-N	0	0	180.291	3.038	10	0		AGAERN
Cc1cc(C)c(O)c([C@@H]2C=CCC2)c1	238484698	573706086	/nfs/dbraw/zinc/70/60/86/573706086.db2.gz	KFCUTPIDYYEHTI-LLVKDONJSA-N	0	0	188.270	3.443	10	0		AGAERN
CC[C@@H](O)/C(C)=C/[C@@H]1CC=C(C)CC1	135971173	573706089	/nfs/dbraw/zinc/70/60/89/573706089.db2.gz	XZSMHQUHZREMCJ-FWPSRMAWSA-N	0	0	194.318	3.450	10	0		AGAERN
Cc1scnc1-c1cccs1	108238314	573706216	/nfs/dbraw/zinc/70/62/16/573706216.db2.gz	PFZSCDCXEMIFCQ-UHFFFAOYSA-N	0	0	181.285	3.180	10	0		AGAERN
CC[C@@]1(C)Nc2cccc(O)c2[C@H]1C	258100712	573706320	/nfs/dbraw/zinc/70/63/20/573706320.db2.gz	IOFZXVYTMBQTST-PRHODGIISA-N	0	0	191.274	3.090	10	0		AGAERN
c1nc(C2CCCCC2)cs1	108238197	573706395	/nfs/dbraw/zinc/70/63/95/573706395.db2.gz	RUAAZEXQYJNLDB-UHFFFAOYSA-N	0	0	167.277	3.191	10	0		AGAERN
CCc1ccccc1C(C)C	75839314	573706421	/nfs/dbraw/zinc/70/64/21/573706421.db2.gz	ZAJYARZMPOEGLK-UHFFFAOYSA-N	0	0	148.249	3.372	10	0		AGAERN
CCc1ccccc1C1(O)CCCC1	75847024	573710780	/nfs/dbraw/zinc/71/07/80/573710780.db2.gz	QKVDYRIBEBPVAG-UHFFFAOYSA-N	0	0	190.286	3.011	10	0		AGAERN
Cc1c(Cl)cccc1[C@H](O)C(C)C	75853458	573711003	/nfs/dbraw/zinc/71/10/03/573711003.db2.gz	XNLGNOYXOSXQNA-LLVKDONJSA-N	0	0	198.693	3.338	10	0		AGAERN
Cc1c(Cl)cccc1[C@@H](O)C(C)C	75853459	573711139	/nfs/dbraw/zinc/71/11/39/573711139.db2.gz	XNLGNOYXOSXQNA-NSHDSACASA-N	0	0	198.693	3.338	10	0		AGAERN
COCc1cc2c(Cl)cccc2o1	258101704	573713990	/nfs/dbraw/zinc/71/39/90/573713990.db2.gz	SBYRWBTWCCDRRW-UHFFFAOYSA-N	0	0	196.633	3.233	10	0		AGAERN
O[C@H](CC1CC1)C1=CCCCCCC1	236556156	573713430	/nfs/dbraw/zinc/71/34/30/573713430.db2.gz	HQEOKTJSTLWRJC-CYBMUJFWSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@H]1CCCC[C@@H](CCO)C1(C)C	238492864	573713455	/nfs/dbraw/zinc/71/34/55/573713455.db2.gz	FOKMQAVFSZLDRR-QWRGUYRKSA-N	0	0	184.323	3.221	10	0		AGAERN
Cc1c(F)cccc1OC1CCC1	238493449	573713624	/nfs/dbraw/zinc/71/36/24/573713624.db2.gz	GXVWHFZDHBHVIR-UHFFFAOYSA-N	0	0	180.222	3.065	10	0		AGAERN
Nc1occc1-c1ccccc1Cl	258095042	573713711	/nfs/dbraw/zinc/71/37/11/573713711.db2.gz	KDLIONYZAMRLOZ-UHFFFAOYSA-N	0	0	193.633	3.182	10	0		AGAERN
CC(C)=C[C@@H]1C[C@]12CCCCC2=O	197527547	573719482	/nfs/dbraw/zinc/71/94/82/573719482.db2.gz	FZSHAZPLCVFLSW-ZYHUDNBSSA-N	0	0	178.275	3.102	10	0		AGAERN
CCCc1ccc2c(c1O)CCCC2	197521253	573719505	/nfs/dbraw/zinc/71/95/05/573719505.db2.gz	XBUFYFYTIXIIOD-UHFFFAOYSA-N	0	0	190.286	3.224	10	0		AGAERN
CCCC[C@@H](C)[C@@H](O)c1cc(C)co1	716118833	573719563	/nfs/dbraw/zinc/71/95/63/573719563.db2.gz	NFWYMCDJEWJZNC-ZYHUDNBSSA-N	0	0	196.290	3.448	10	0		AGAERN
Cc1ccc2[nH]cc(C3CC3)c2c1O	238494268	573718882	/nfs/dbraw/zinc/71/88/82/573718882.db2.gz	PDTOKKSXYYVPGB-UHFFFAOYSA-N	0	0	187.242	3.059	10	0		AGAERN
Cc1nc(C(F)F)c(F)cc1Cl	238493957	573718999	/nfs/dbraw/zinc/71/89/99/573718999.db2.gz	FOJHREUIEVWGIZ-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
CC(C)[NH2+][C@H](c1ccco1)C(C)(C)C	308681358	573721463	/nfs/dbraw/zinc/72/14/63/573721463.db2.gz	XQBIVGVSXIOZRX-LLVKDONJSA-N	0	0	195.306	3.365	10	0		AGAERN
CCC(C)(C)[C@@H](O)[C@@H](C)CC(C)C	393556126	573720854	/nfs/dbraw/zinc/72/08/54/573720854.db2.gz	NWOCNDRFTSLORI-QWRGUYRKSA-N	0	0	186.339	3.466	10	0		AGAERN
c1ccc2c(c1)NCC[C@@H]1CCC[C@H]21	238041535	573720892	/nfs/dbraw/zinc/72/08/92/573720892.db2.gz	CZJRXGUHOVBFLP-QWRGUYRKSA-N	0	0	187.286	3.386	10	0		AGAERN
C=CC1=CCC[C@@]12CCCC(=O)C2	238043342	573721141	/nfs/dbraw/zinc/72/11/41/573721141.db2.gz	BQEJGMIJWNXXEO-LBPRGKRZSA-N	0	0	176.259	3.022	10	0		AGAERN
C/C=C/[C@H]1c2c(O)cccc2C[C@@H]1C	238044661	573721230	/nfs/dbraw/zinc/72/12/30/573721230.db2.gz	MHTYUEZCINCZNO-DLSFUBIUSA-N	0	0	188.270	3.244	10	0		AGAERN
COc1cccc2cc(C3CC3)[nH]c12	83965953	573721331	/nfs/dbraw/zinc/72/13/31/573721331.db2.gz	DJOZTFMVCFWJJK-UHFFFAOYSA-N	0	0	187.242	3.054	10	0		AGAERN
Cc1[nH]c2ccccc2c1C(F)(F)F	238485572	573723920	/nfs/dbraw/zinc/72/39/20/573723920.db2.gz	COQVTYTZOITYFG-UHFFFAOYSA-N	0	0	199.175	3.495	10	0		AGAERN
Cc1cc(C)c2[nH]c(Cl)cc2c1	238495477	573723973	/nfs/dbraw/zinc/72/39/73/573723973.db2.gz	JVZNWFQVLXSCOG-UHFFFAOYSA-N	0	0	179.650	3.438	10	0		AGAERN
Cc1cc(Cl)c(C(F)F)nc1F	238495692	573724046	/nfs/dbraw/zinc/72/40/46/573724046.db2.gz	FHGUQONHCFDODU-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
Cc1cc(C(F)(F)F)ccc1CF	238495573	573724194	/nfs/dbraw/zinc/72/41/94/573724194.db2.gz	ZBGPDECUTJQGKX-UHFFFAOYSA-N	0	0	192.155	3.483	10	0		AGAERN
C[C@@H]1CC[C@H]([C@H]2CCCCC2=O)C1	256397293	573725001	/nfs/dbraw/zinc/72/50/01/573725001.db2.gz	XLNXBZQLRDSSLO-OUAUKWLOSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1ccc2c(N)ccc(C)c2c1	142976386	573725026	/nfs/dbraw/zinc/72/50/26/573725026.db2.gz	ISTSTPJZFLISSY-UHFFFAOYSA-N	0	0	171.243	3.039	10	0		AGAERN
C[C@@H]1CC[C@@H]([C@H]2CCCCC2=O)C1	256397290	573725090	/nfs/dbraw/zinc/72/50/90/573725090.db2.gz	XLNXBZQLRDSSLO-GMTAPVOTSA-N	0	0	180.291	3.182	10	0		AGAERN
CCc1ccc2[nH]c(C3CC3)nc2c1	124964294	573725237	/nfs/dbraw/zinc/72/52/37/573725237.db2.gz	QJNDWKCRNFTGBG-UHFFFAOYSA-N	0	0	186.258	3.003	10	0		AGAERN
COc1cccc2c1N[C@H](C)C[C@H]2C	257857719	573725305	/nfs/dbraw/zinc/72/53/05/573725305.db2.gz	QHDHVVDIGYLEBX-RKDXNWHRSA-N	0	0	191.274	3.003	10	0		AGAERN
C/C=C/[C@H](O)C[C@H]1CC=CC(C)(C)C1	238056608	573725352	/nfs/dbraw/zinc/72/53/52/573725352.db2.gz	QXUZNWJMZZLRNF-XCOQAZTISA-N	0	0	194.318	3.306	10	0		AGAERN
CC[C@H](C)Nc1ccc(C)c(OC)c1	690211609	573725430	/nfs/dbraw/zinc/72/54/30/573725430.db2.gz	HGEBWZMPCAFSHX-JTQLQIEISA-N	0	0	193.290	3.214	10	0		AGAERN
Cc1ccc2c(C3CC3)c[nH]c2c1F	238495247	573725478	/nfs/dbraw/zinc/72/54/78/573725478.db2.gz	VWOWAHKYAFRVKB-UHFFFAOYSA-N	0	0	189.233	3.493	10	0		AGAERN
CC(=O)C1(C)CCCCCCC1	238056249	573727812	/nfs/dbraw/zinc/72/78/12/573727812.db2.gz	QNAPDABMKRGHCG-UHFFFAOYSA-N	0	0	168.280	3.326	10	0		AGAERN
COc1cccc2c1N[C@H](C)C[C@@H]2C	257857715	573727841	/nfs/dbraw/zinc/72/78/41/573727841.db2.gz	QHDHVVDIGYLEBX-DTWKUNHWSA-N	0	0	191.274	3.003	10	0		AGAERN
Clc1cccc2c1C1(CCN2)CC1	257858361	573727864	/nfs/dbraw/zinc/72/78/64/573727864.db2.gz	QJBLUJPXKRSOOK-UHFFFAOYSA-N	0	0	193.677	3.187	10	0		AGAERN
C[C@H]1CCCCCC[C@H](C)C1=O	238487454	573728104	/nfs/dbraw/zinc/72/81/04/573728104.db2.gz	ZHAQMVQLHKELQG-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)(C)[C@@H]1CCC(=O)c2cccn21	83982287	573730486	/nfs/dbraw/zinc/73/04/86/573730486.db2.gz	JLTLUMWFKGRGSQ-NSHDSACASA-N	0	0	191.274	3.052	10	0		AGAERN
CC(=O)[C@H]1CCCCC[C@H](C)C1	238488178	573730941	/nfs/dbraw/zinc/73/09/41/573730941.db2.gz	TZVWRWLLIBYZBL-ONGXEEELSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1nc2c(C)c(F)ccc2s1	238488156	573731019	/nfs/dbraw/zinc/73/10/19/573731019.db2.gz	ZGXGZFLNJCILGX-UHFFFAOYSA-N	0	0	181.235	3.052	10	0		AGAERN
COCc1cc2cccc(Cl)c2o1	257853971	573735716	/nfs/dbraw/zinc/73/57/16/573735716.db2.gz	CNSRUPJRKIKNNZ-UHFFFAOYSA-N	0	0	196.633	3.233	10	0		AGAERN
O=C1CCCC=Cc2ccccc21	223427958	573735007	/nfs/dbraw/zinc/73/50/07/573735007.db2.gz	ISTABYCMGAFLDQ-QHHAFSJGSA-N	0	0	172.227	3.066	10	0		AGAERN
Cc1ccc2c(c1)C(C)(C)C=C2	238488750	573735034	/nfs/dbraw/zinc/73/50/34/573735034.db2.gz	NWRVVACRRQESJO-UHFFFAOYSA-N	0	0	158.244	3.299	10	0		AGAERN
Cc1cc(SC(F)(F)F)c(C)[nH]1	144783343	573735152	/nfs/dbraw/zinc/73/51/52/573735152.db2.gz	IRSFSWANNZVAFU-UHFFFAOYSA-N	0	0	195.209	3.243	10	0		AGAERN
C[C@@H](O)c1cc2cccc(F)c2s1	258114067	573735300	/nfs/dbraw/zinc/73/53/00/573735300.db2.gz	JGXSNLFZAQOPTJ-ZCFIWIBFSA-N	0	0	196.246	3.094	10	0		AGAERN
Cc1ccc2c(c1Cl)C(=O)CCC2	238489926	573735369	/nfs/dbraw/zinc/73/53/69/573735369.db2.gz	GJWNXFQTFKXUST-UHFFFAOYSA-N	0	0	194.661	3.167	10	0		AGAERN
C=CC1=CCCC(C)(C)C1	223386874	573735416	/nfs/dbraw/zinc/73/54/16/573735416.db2.gz	AGTRGSKCTHFNDR-UHFFFAOYSA-N	0	0	136.238	3.309	10	0		AGAERN
Cc1cc2c(F)c(F)ccc2o1	75926950	573735543	/nfs/dbraw/zinc/73/55/43/573735543.db2.gz	HGIZJMVRJJTPQH-UHFFFAOYSA-N	0	0	168.142	3.019	10	0		AGAERN
Cc1cc2c(F)c(F)ccc2s1	75926966	573736475	/nfs/dbraw/zinc/73/64/75/573736475.db2.gz	HLCRDQOLKPDFGK-UHFFFAOYSA-N	0	0	184.210	3.488	10	0		AGAERN
O[C@@H](c1cccc(C2CC2)c1)C1CC1	87012636	573736624	/nfs/dbraw/zinc/73/66/24/573736624.db2.gz	OSWFBPVTJGJAIW-CYBMUJFWSA-N	0	0	188.270	3.007	10	0		AGAERN
C/C=C(/C)C[C@@H](O)c1ccccc1	238061284	573744353	/nfs/dbraw/zinc/74/43/53/573744353.db2.gz	DBUKSFIXMOCNHX-UOLPYZNQSA-N	0	0	176.259	3.076	10	0		AGAERN
Oc1ccc2c3c1CCC[C@H]3CCC2	108300071	573744370	/nfs/dbraw/zinc/74/43/70/573744370.db2.gz	IOWVGECVWWCUSL-SECBINFHSA-N	0	0	188.270	3.148	10	0		AGAERN
Cc1ccccc1NCCCC(F)F	688741380	573744378	/nfs/dbraw/zinc/74/43/78/573744378.db2.gz	YTUJIENPZDXGAM-UHFFFAOYSA-N	0	0	199.244	3.452	10	0		AGAERN
CC(C)[C@H](O)c1ccc(C2CC2)cc1	87012714	573738297	/nfs/dbraw/zinc/73/82/97/573738297.db2.gz	UWJRYDUWBILFDP-ZDUSSCGKSA-N	0	0	190.286	3.253	10	0		AGAERN
Nc1ccc2c(Cl)csc2c1	108296380	573738504	/nfs/dbraw/zinc/73/85/04/573738504.db2.gz	SJURLMPOPONVAI-UHFFFAOYSA-N	0	0	183.663	3.137	10	0		AGAERN
Nc1ccc2scc(Cl)c2c1	108296383	573738742	/nfs/dbraw/zinc/73/87/42/573738742.db2.gz	STFIRHONXLYBBD-UHFFFAOYSA-N	0	0	183.663	3.137	10	0		AGAERN
CC(C)=CC[C@@H]1C(C)=C[C@H](O)C[C@@H]1C	238502510	573738852	/nfs/dbraw/zinc/73/88/52/573738852.db2.gz	FUEUSNCAYOEADN-RWMBFGLXSA-N	0	0	194.318	3.306	10	0		AGAERN
CC[C@H](O)c1ccc(C2CC2)cc1	87012781	573738886	/nfs/dbraw/zinc/73/88/86/573738886.db2.gz	PCLZKECFRZANFN-LBPRGKRZSA-N	0	0	176.259	3.007	10	0		AGAERN
Cc1ccc([C@@]2(O)CCC[C@H]2C)s1	84007237	573742449	/nfs/dbraw/zinc/74/24/49/573742449.db2.gz	XOQWQSBIRZOJDS-LDYMZIIASA-N	0	0	196.315	3.064	10	0		AGAERN
Cc1ccsc1[C@@H]1CCCCC1=O	87022711	573742475	/nfs/dbraw/zinc/74/24/75/573742475.db2.gz	BZVPQWQZPZDFHL-SECBINFHSA-N	0	0	194.299	3.283	10	0		AGAERN
Cc1ccsc1[C@@H]1CCC[C@H](O)C1	87023380	573742508	/nfs/dbraw/zinc/74/25/08/573742508.db2.gz	LEUHJCJZVLVIFK-ZJUUUORDSA-N	0	0	196.315	3.075	10	0		AGAERN
Cc1ccsc1[C@]1(O)CC[C@H](C)C1	87020777	573742540	/nfs/dbraw/zinc/74/25/40/573742540.db2.gz	DXIFLODLXZBVNJ-KWQFWETISA-N	0	0	196.315	3.064	10	0		AGAERN
Cc1ccc([C@@H]2CCCC(=O)C2)s1	84020467	573742615	/nfs/dbraw/zinc/74/26/15/573742615.db2.gz	NJPLDFZZDGNDBS-SECBINFHSA-N	0	0	194.299	3.283	10	0		AGAERN
Cc1ccc([C@H]2CCCC(=O)C2)s1	84020470	573742666	/nfs/dbraw/zinc/74/26/66/573742666.db2.gz	NJPLDFZZDGNDBS-VIFPVBQESA-N	0	0	194.299	3.283	10	0		AGAERN
CC[C@](O)(c1sccc1C)C(C)C	87020608	573742707	/nfs/dbraw/zinc/74/27/07/573742707.db2.gz	FOOBGJCEXLSMKP-LLVKDONJSA-N	0	0	198.331	3.310	10	0		AGAERN
Cc1ccc([C@@H]2CCC[C@H](O)C2)s1	84021167	573742720	/nfs/dbraw/zinc/74/27/20/573742720.db2.gz	KZMQBMRKMPEYFX-ZJUUUORDSA-N	0	0	196.315	3.075	10	0		AGAERN
CC[C@@H](C)[C@@](C)(O)c1ccc(C)s1	84006874	573742724	/nfs/dbraw/zinc/74/27/24/573742724.db2.gz	BWQPTGDEIOWLDV-LDYMZIIASA-N	0	0	198.331	3.310	10	0		AGAERN
Nc1ccc2c3c1CCC[C@H]3CCC2	108299602	573742873	/nfs/dbraw/zinc/74/28/73/573742873.db2.gz	GRHLOTUUFBSJTE-SECBINFHSA-N	0	0	187.286	3.025	10	0		AGAERN
CC[C@@](O)(c1ccc(C)s1)C1CC1	84007217	573742888	/nfs/dbraw/zinc/74/28/88/573742888.db2.gz	UIIWEFBFRIELTJ-NSHDSACASA-N	0	0	196.315	3.064	10	0		AGAERN
Cc1ccsc1[C@@H]1CCC[C@@H](O)C1	87023384	573742920	/nfs/dbraw/zinc/74/29/20/573742920.db2.gz	LEUHJCJZVLVIFK-NXEZZACHSA-N	0	0	196.315	3.075	10	0		AGAERN
CC[C@](O)(c1ccc(C)s1)C(C)C	84006881	573742938	/nfs/dbraw/zinc/74/29/38/573742938.db2.gz	FDLVEADTMAYDRA-LLVKDONJSA-N	0	0	198.331	3.310	10	0		AGAERN
Cc1ccsc1C(C)(C)C[C@@H](C)O	87023429	573742976	/nfs/dbraw/zinc/74/29/76/573742976.db2.gz	PVMKFIRHXUQXAZ-SECBINFHSA-N	0	0	198.331	3.105	10	0		AGAERN
Cc1ccc([C@]2(O)CCC[C@H]2C)s1	84007234	573742987	/nfs/dbraw/zinc/74/29/87/573742987.db2.gz	XOQWQSBIRZOJDS-KCJUWKMLSA-N	0	0	196.315	3.064	10	0		AGAERN
Cc1ccc([C@H]2CCCCC2=O)s1	84020193	573743053	/nfs/dbraw/zinc/74/30/53/573743053.db2.gz	UKBJKYMPNYUZPT-VIFPVBQESA-N	0	0	194.299	3.283	10	0		AGAERN
C[C@H]1Nc2ccccc2-c2cc[nH]c21	238501381	573743065	/nfs/dbraw/zinc/74/30/65/573743065.db2.gz	SQHFAXWYULXJEN-MRVPVSSYSA-N	0	0	184.242	3.168	10	0		AGAERN
Cc1ccsc1[C@H]1CCCCC1=O	87022714	573743079	/nfs/dbraw/zinc/74/30/79/573743079.db2.gz	BZVPQWQZPZDFHL-VIFPVBQESA-N	0	0	194.299	3.283	10	0		AGAERN
Nc1cc2c3c(c1)CCC[C@H]3CC=C2	108298232	573745266	/nfs/dbraw/zinc/74/52/66/573745266.db2.gz	SXHOKMHIEOUVDU-SECBINFHSA-N	0	0	185.270	3.106	10	0		AGAERN
Cc1ccsc1C(C)(C)C[C@H](C)O	87023430	573745337	/nfs/dbraw/zinc/74/53/37/573745337.db2.gz	PVMKFIRHXUQXAZ-VIFPVBQESA-N	0	0	198.331	3.105	10	0		AGAERN
CC[C@@](O)(c1sccc1C)C(C)C	87020605	573745362	/nfs/dbraw/zinc/74/53/62/573745362.db2.gz	FOOBGJCEXLSMKP-NSHDSACASA-N	0	0	198.331	3.310	10	0		AGAERN
Cc1cc2c(Cl)c(C)ccc2[nH]1	238500900	573745426	/nfs/dbraw/zinc/74/54/26/573745426.db2.gz	NFFGMTUNNOTFRS-UHFFFAOYSA-N	0	0	179.650	3.438	10	0		AGAERN
Cc1ncc(C2CCCC2)c(Cl)n1	258513751	573745484	/nfs/dbraw/zinc/74/54/84/573745484.db2.gz	LBEKETLLUQAKRC-UHFFFAOYSA-N	0	0	196.681	3.096	10	0		AGAERN
Cc1ccsc1[C@@]1(O)CC[C@H](C)C1	87020779	573745495	/nfs/dbraw/zinc/74/54/95/573745495.db2.gz	DXIFLODLXZBVNJ-GZMMTYOYSA-N	0	0	196.315	3.064	10	0		AGAERN
Cc1cc2c(Cl)ccc(F)c2[nH]1	238501185	573745574	/nfs/dbraw/zinc/74/55/74/573745574.db2.gz	VJDQBTMUHBUCTK-UHFFFAOYSA-N	0	0	183.613	3.269	10	0		AGAERN
Cc1c(C(F)F)cc(Cl)nc1F	238498006	573747405	/nfs/dbraw/zinc/74/74/05/573747405.db2.gz	BRLPPZRQDWRWSI-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
Cc1c(F)cnc(C(F)F)c1Cl	238496532	573750176	/nfs/dbraw/zinc/75/01/76/573750176.db2.gz	RFRSWOVWFZKKJS-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
C/C=C/[C@@H]1c2c(O)cccc2C[C@@H]1C	238064468	573750215	/nfs/dbraw/zinc/75/02/15/573750215.db2.gz	MHTYUEZCINCZNO-JAQYDWNVSA-N	0	0	188.270	3.244	10	0		AGAERN
Cc1ccc2c(c1)C(C)(C)C(=S)N2	238497826	573750362	/nfs/dbraw/zinc/75/03/62/573750362.db2.gz	XXAKIXFIPYODDV-UHFFFAOYSA-N	0	0	191.299	3.026	10	0		AGAERN
Cc1c(Cl)cc(C(F)F)nc1F	238497687	573750474	/nfs/dbraw/zinc/75/04/74/573750474.db2.gz	BMLJUYQIYWFACO-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
Cc1ccc2c(c1)C(C)(C)CC[C@@H]2O	238504810	573753270	/nfs/dbraw/zinc/75/32/70/573753270.db2.gz	LYLWFVLCMNRRGM-LBPRGKRZSA-N	0	0	190.286	3.100	10	0		AGAERN
Cc1cc(C)c2cccc-2c(C=O)c1	238498892	573753278	/nfs/dbraw/zinc/75/32/78/573753278.db2.gz	LFCFPQAIJVJLRS-UHFFFAOYSA-N	0	0	184.238	3.221	10	0		AGAERN
CC(=O)c1c(O)ccc(C(C)C)c1C	143326824	573753292	/nfs/dbraw/zinc/75/32/92/573753292.db2.gz	ORNXQZQHAIIRST-UHFFFAOYSA-N	0	0	192.258	3.027	10	0		AGAERN
Cc1cc2c(C)cccc2c(N)c1C	238498443	573753532	/nfs/dbraw/zinc/75/35/32/573753532.db2.gz	QGUQFTAMGNENTB-UHFFFAOYSA-N	0	0	185.270	3.347	10	0		AGAERN
Cc1cc(C)c2ccc(O)cc2c1	238498788	573753643	/nfs/dbraw/zinc/75/36/43/573753643.db2.gz	PWLJRJQJZLJULV-UHFFFAOYSA-N	0	0	172.227	3.162	10	0		AGAERN
Cc1cc2c(C)ccc(O)c2cc1C	238498400	573753970	/nfs/dbraw/zinc/75/39/70/573753970.db2.gz	URSAQAYRCJIDCT-UHFFFAOYSA-N	0	0	186.254	3.471	10	0		AGAERN
C/C=C1/CC[C@H]2CC(=O)CC[C@]12C	238077562	573759994	/nfs/dbraw/zinc/75/99/94/573759994.db2.gz	UTWKTQDNUZCLGG-VMXBDPKJSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1=CC[C@](CO)([C@@H](C)C(C)C)CC1	224648268	573760058	/nfs/dbraw/zinc/76/00/58/573760058.db2.gz	ZSJCFLFNSDPJTB-STQMWFEESA-N	0	0	196.334	3.387	10	0		AGAERN
C[C@@]12CC=CCC[C@H]1C(=O)CCC2	238506307	573760111	/nfs/dbraw/zinc/76/01/11/573760111.db2.gz	YLGVCBIUQMRWBA-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1cc2cc(C)c(Cl)cc2[nH]1	238506706	573760115	/nfs/dbraw/zinc/76/01/15/573760115.db2.gz	LLICRKYEWRRTHX-UHFFFAOYSA-N	0	0	179.650	3.438	10	0		AGAERN
Oc1ccc([C@@H]2CC[C@@H]2C(F)F)cc1	258120060	573760117	/nfs/dbraw/zinc/76/01/17/573760117.db2.gz	PKPLMPVRYDVPRT-UWVGGRQHSA-N	0	0	198.212	3.151	10	0		AGAERN
CC(=O)c1ccc([C@@H]2CC[C@@H]2F)cc1	259620180	573760180	/nfs/dbraw/zinc/76/01/80/573760180.db2.gz	FDDSVOGUMMGPIM-RYUDHWBXSA-N	0	0	192.233	3.105	10	0		AGAERN
Cc1cc(C(F)F)c(Cl)nc1C	238505081	573760218	/nfs/dbraw/zinc/76/02/18/573760218.db2.gz	GLMBIQZOGLURBB-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
C[C@@H]1CC(C)(C)c2cccc(F)c2N1	258120005	573760274	/nfs/dbraw/zinc/76/02/74/573760274.db2.gz	ZUPQYOHYRYRYHQ-MRVPVSSYSA-N	0	0	193.265	3.307	10	0		AGAERN
Cc1ccc(C)n1[C@@H]1CC=CCC1	84080572	573760363	/nfs/dbraw/zinc/76/03/63/573760363.db2.gz	CVOBZUXXDXNRIC-GFCCVEGCSA-N	0	0	175.275	3.386	10	0		AGAERN
Cc1ccc(CSC(C)C)c(N)c1	257868926	573760409	/nfs/dbraw/zinc/76/04/09/573760409.db2.gz	AEOVHQZQAKLCHG-UHFFFAOYSA-N	0	0	195.331	3.219	10	0		AGAERN
C[C@]12C=CCC[C@]1(C)CCC(=O)C2	238505580	573760419	/nfs/dbraw/zinc/76/04/19/573760419.db2.gz	KBSAHKQSDHJXBL-VXGBXAGGSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(=S)Nc1ccc2occc2c1	238086509	573763741	/nfs/dbraw/zinc/76/37/41/573763741.db2.gz	MAOMAOHGHXOSKU-UHFFFAOYSA-N	0	0	191.255	3.192	10	0		AGAERN
CC[C@H]1CCc2[nH]c(C(C)C)nc2C1	76090589	573763962	/nfs/dbraw/zinc/76/39/62/573763962.db2.gz	YHJDYTKIDSLBOD-VIFPVBQESA-N	0	0	192.306	3.048	10	0		AGAERN
C[C@@]12C=CCC[C@@]1(C)C(=O)CCC2	238507000	573763972	/nfs/dbraw/zinc/76/39/72/573763972.db2.gz	LFCCQRZZOAOZIC-RYUDHWBXSA-N	0	0	178.275	3.102	10	0		AGAERN
Oc1ccccc1[C@H]1CCC(F)(F)C1	258121804	573764296	/nfs/dbraw/zinc/76/42/96/573764296.db2.gz	PNMXKQUFTQVVEN-QMMMGPOBSA-N	0	0	198.212	3.295	10	0		AGAERN
Cc1ccc(C)n1[C@H]1CC=CCC1	84080571	573764308	/nfs/dbraw/zinc/76/43/08/573764308.db2.gz	CVOBZUXXDXNRIC-LBPRGKRZSA-N	0	0	175.275	3.386	10	0		AGAERN
Oc1ccccc1[C@@H]1CCC(F)(F)C1	258121801	573764338	/nfs/dbraw/zinc/76/43/38/573764338.db2.gz	PNMXKQUFTQVVEN-MRVPVSSYSA-N	0	0	198.212	3.295	10	0		AGAERN
Cc1cc2ccc(F)c(Cl)c2[nH]1	238510113	573767588	/nfs/dbraw/zinc/76/75/88/573767588.db2.gz	SGYHLMOVQZIYGR-UHFFFAOYSA-N	0	0	183.613	3.269	10	0		AGAERN
Cc1cc(Cl)cc2sncc12	238508841	573767686	/nfs/dbraw/zinc/76/76/86/573767686.db2.gz	BMFDMTQKPJJPSU-UHFFFAOYSA-N	0	0	183.663	3.258	10	0		AGAERN
Cc1ccc(C(F)(F)C2CC2)o1	258929276	573767726	/nfs/dbraw/zinc/76/77/26/573767726.db2.gz	AKTCACHHZUCBFV-UHFFFAOYSA-N	0	0	172.174	3.090	10	0		AGAERN
Cc1ccc(CC2CCCC2)c(N)c1	257870349	573767749	/nfs/dbraw/zinc/76/77/49/573767749.db2.gz	SXRDRFQMVKLFCA-UHFFFAOYSA-N	0	0	189.302	3.310	10	0		AGAERN
COc1ccc(C)cc1C(C)(F)F	258929056	573767907	/nfs/dbraw/zinc/76/79/07/573767907.db2.gz	AIFNAJZVRSRFOI-UHFFFAOYSA-N	0	0	186.201	3.115	10	0		AGAERN
CC(=O)CCC1=CCCCCC1	238093700	573767939	/nfs/dbraw/zinc/76/79/39/573767939.db2.gz	SZAYJMOYJPSIHP-UHFFFAOYSA-N	0	0	166.264	3.246	10	0		AGAERN
CC(C)(C)[C@H]1C[C@@H]1c1ccccc1N	238096554	573770238	/nfs/dbraw/zinc/77/02/38/573770238.db2.gz	XRKREAAZXWZZQS-MNOVXSKESA-N	0	0	189.302	3.418	10	0		AGAERN
CC(C)(C)[C@H]1C[C@@H]1c1ccsc1N	238096597	573770265	/nfs/dbraw/zinc/77/02/65/573770265.db2.gz	RIUMYOYQQJWKGB-BDAKNGLRSA-N	0	0	195.331	3.480	10	0		AGAERN
CCC[C@H](O)[C@H]1CCC[C@@H](CC)C1	122580509	573770445	/nfs/dbraw/zinc/77/04/45/573770445.db2.gz	HWHDYENRAZEWPX-WOPDTQHZSA-N	0	0	184.323	3.364	10	0		AGAERN
c1cc2ccc(C3CC3)cc2o1	238096823	573770565	/nfs/dbraw/zinc/77/05/65/573770565.db2.gz	VDBUKXCNROKDGJ-UHFFFAOYSA-N	0	0	158.200	3.310	10	0		AGAERN
Cc1c(O)cc2c(C)cccc2c1C	238509529	573770752	/nfs/dbraw/zinc/77/07/52/573770752.db2.gz	LMLSWINRZMNUBJ-UHFFFAOYSA-N	0	0	186.254	3.471	10	0		AGAERN
Cc1ccccc1-c1ncc(Cl)o1	258513914	573770758	/nfs/dbraw/zinc/77/07/58/573770758.db2.gz	LDENVTAYPBUEAQ-UHFFFAOYSA-N	0	0	193.633	3.303	10	0		AGAERN
Cc1cc2ccc(Cl)c(F)c2[nH]1	238509934	573770839	/nfs/dbraw/zinc/77/08/39/573770839.db2.gz	XCWAYNHHAMTDGQ-UHFFFAOYSA-N	0	0	183.613	3.269	10	0		AGAERN
C=Cc1cc2cc(C)ccc2[nH]1	238509167	573770920	/nfs/dbraw/zinc/77/09/20/573770920.db2.gz	ISCABZVNAZLZQA-UHFFFAOYSA-N	0	0	157.216	3.119	10	0		AGAERN
Cc1c(O)ccc2[nH]cc(C3CC3)c12	238509956	573771069	/nfs/dbraw/zinc/77/10/69/573771069.db2.gz	YWHVWPLJFXBFMR-UHFFFAOYSA-N	0	0	187.242	3.059	10	0		AGAERN
CC(C)c1cccc2[nH]ccc12	108365983	573772499	/nfs/dbraw/zinc/77/24/99/573772499.db2.gz	QUCKCRZJAZWQIM-UHFFFAOYSA-N	0	0	159.232	3.291	10	0		AGAERN
CC(C)CO[C@@H](C)c1ccc(N)cc1	40909092	573772567	/nfs/dbraw/zinc/77/25/67/573772567.db2.gz	HPFLFSWUARUDKY-JTQLQIEISA-N	0	0	193.290	3.002	10	0		AGAERN
CCOCc1c[nH]c2ccc(C)cc12	257874880	573773212	/nfs/dbraw/zinc/77/32/12/573773212.db2.gz	IZSDMJQCCPMQFH-UHFFFAOYSA-N	0	0	189.258	3.013	10	0		AGAERN
Cc1ccc([C@@H]2CC2(C)C)c(N)c1	238510629	573774150	/nfs/dbraw/zinc/77/41/50/573774150.db2.gz	OQNCMBWUYDFMEB-JTQLQIEISA-N	0	0	175.275	3.091	10	0		AGAERN
Cc1nc(C)c(C(F)F)cc1Cl	238510327	573774161	/nfs/dbraw/zinc/77/41/61/573774161.db2.gz	IOEBBZBEDIBNDI-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
Cc1cc(F)c2[nH]c(C3CC3)cc2c1	238511861	573774253	/nfs/dbraw/zinc/77/42/53/573774253.db2.gz	GKCVGGUHEIYJOT-UHFFFAOYSA-N	0	0	189.233	3.493	10	0		AGAERN
CC(C)CO[C@H](C)c1ccc(N)cc1	40909093	573774502	/nfs/dbraw/zinc/77/45/02/573774502.db2.gz	HPFLFSWUARUDKY-SNVBAGLBSA-N	0	0	193.290	3.002	10	0		AGAERN
Clc1ccc(Oc2ncco2)cc1	257874721	573774513	/nfs/dbraw/zinc/77/45/13/573774513.db2.gz	IWJDRFBJIJFEOH-UHFFFAOYSA-N	0	0	195.605	3.120	10	0		AGAERN
c1ccc2c(c1)NCCC1=C2CCC1	238099424	573776261	/nfs/dbraw/zinc/77/62/61/573776261.db2.gz	SFSREGUEGBCFFP-UHFFFAOYSA-N	0	0	185.270	3.440	10	0		AGAERN
Cc1cc(F)c2[nH]c3c(c2c1)CCC3	238511905	573776431	/nfs/dbraw/zinc/77/64/31/573776431.db2.gz	DIONDFNMHBKWHI-UHFFFAOYSA-N	0	0	189.233	3.104	10	0		AGAERN
Cc1cc(F)c2[nH]cc(C3CC3)c2c1	238511923	573776544	/nfs/dbraw/zinc/77/65/44/573776544.db2.gz	HOXOCDQVJJYLDX-UHFFFAOYSA-N	0	0	189.233	3.493	10	0		AGAERN
Cn1cc2ccc(C(F)(F)F)cc2c1	238513001	573776571	/nfs/dbraw/zinc/77/65/71/573776571.db2.gz	OQCGTDMZQXQSLU-UHFFFAOYSA-N	0	0	199.175	3.197	10	0		AGAERN
Clc1ccc2cc(C3CC3)[nH]c2n1	238512453	573776962	/nfs/dbraw/zinc/77/69/62/573776962.db2.gz	CAJRGRIIEWXMRE-UHFFFAOYSA-N	0	0	192.649	3.094	10	0		AGAERN
CNc1c(C)sc2ccccc12	259569698	573778333	/nfs/dbraw/zinc/77/83/33/573778333.db2.gz	SUHMMHJWKZVSGE-UHFFFAOYSA-N	0	0	177.272	3.251	10	0		AGAERN
CC1(C)[C@@H](CO)[C@@]1(C)CC1CCCC1	689822408	573778358	/nfs/dbraw/zinc/77/83/58/573778358.db2.gz	LRFCGVXKRCQPLM-DGCLKSJQSA-N	0	0	196.334	3.221	10	0		AGAERN
Fc1ccccc1C(F)(F)C1CC1	258937092	573778446	/nfs/dbraw/zinc/77/84/46/573778446.db2.gz	BTSHRDADALWQBQ-UHFFFAOYSA-N	0	0	186.176	3.328	10	0		AGAERN
CC(C)(C)[C@]1(C)C(=O)CC1(C)C	238107320	573778462	/nfs/dbraw/zinc/77/84/62/573778462.db2.gz	ICORYBFZCHSBND-NSHDSACASA-N	0	0	168.280	3.038	10	0		AGAERN
O=Cc1ccc2c(ccn2C2CCC2)c1	257875485	573778512	/nfs/dbraw/zinc/77/85/12/573778512.db2.gz	IZQLPRIAIITJLZ-UHFFFAOYSA-N	0	0	199.253	3.179	10	0		AGAERN
COCc1csc2cccc(C)c12	257875933	573778575	/nfs/dbraw/zinc/77/85/75/573778575.db2.gz	JGDXFFRZXKPYKQ-UHFFFAOYSA-N	0	0	192.283	3.356	10	0		AGAERN
CCCCC[C@@H](C)Nc1nc(C)co1	308735901	573778580	/nfs/dbraw/zinc/77/85/80/573778580.db2.gz	LJZRWGGYGNJEHQ-SECBINFHSA-N	0	0	196.294	3.364	10	0		AGAERN
CC[C@@H](C)CNc1ccnc(Cl)c1	122641304	573778918	/nfs/dbraw/zinc/77/89/18/573778918.db2.gz	QYXVTFQHKAQSFA-MRVPVSSYSA-N	0	0	198.697	3.193	10	0		AGAERN
CCOCc1cc2ccc(C)cc2[nH]1	257877127	573781077	/nfs/dbraw/zinc/78/10/77/573781077.db2.gz	JKDYSARJGRYMJS-UHFFFAOYSA-N	0	0	189.258	3.013	10	0		AGAERN
Cc1c(Cl)n(C)c2cccc(F)c12	257875746	573781213	/nfs/dbraw/zinc/78/12/13/573781213.db2.gz	DRNSVVVGLWAFLA-UHFFFAOYSA-N	0	0	197.640	3.279	10	0		AGAERN
CC(C)CO[C@@H](C)c1cccc(N)c1	40908426	573781440	/nfs/dbraw/zinc/78/14/40/573781440.db2.gz	ZXTWLZPQSHSUOA-JTQLQIEISA-N	0	0	193.290	3.002	10	0		AGAERN
CC(C)(C=C=C1CCCCC1)CO	238111613	573781633	/nfs/dbraw/zinc/78/16/33/573781633.db2.gz	REWIKJRIEZYSDM-UHFFFAOYSA-N	0	0	180.291	3.051	10	0		AGAERN
CCCCO[C@@H](C)c1cccc(N)c1	40908540	573781667	/nfs/dbraw/zinc/78/16/67/573781667.db2.gz	STRVEMNAUJAGLX-JTQLQIEISA-N	0	0	193.290	3.147	10	0		AGAERN
Cc1c(F)ccc2[nH]cc(C3CC3)c12	238503523	573781695	/nfs/dbraw/zinc/78/16/95/573781695.db2.gz	PMQWFTCTNINCAK-UHFFFAOYSA-N	0	0	189.233	3.493	10	0		AGAERN
CC(C)=C(C)C[C@H]1CCCC1=O	238112034	573781844	/nfs/dbraw/zinc/78/18/44/573781844.db2.gz	UDBGXKPRVANEFB-SNVBAGLBSA-N	0	0	166.264	3.102	10	0		AGAERN
Cc1cc(C)cc(OCC(C)C)c1	84147669	573783480	/nfs/dbraw/zinc/78/34/80/573783480.db2.gz	XQCNWSQDBOKGBO-UHFFFAOYSA-N	0	0	178.275	3.338	10	0		AGAERN
CC(=O)c1ccc2c(F)cccc2c1	108371594	573783487	/nfs/dbraw/zinc/78/34/87/573783487.db2.gz	DVWIKIBWUHUCPV-UHFFFAOYSA-N	0	0	188.201	3.182	10	0		AGAERN
CC(C)(CO)CC=C=C1CCCCC1	238112241	573783589	/nfs/dbraw/zinc/78/35/89/573783589.db2.gz	KPPUNGQZNKPCIQ-UHFFFAOYSA-N	0	0	194.318	3.441	10	0		AGAERN
Cc1coc(-c2ccc3c(c2)CCN3)c1	716175912	573783634	/nfs/dbraw/zinc/78/36/34/573783634.db2.gz	WOWQWMPZMHOQJS-UHFFFAOYSA-N	0	0	199.253	3.223	10	0		AGAERN
Cc1ccc2c(C)cc(C)c(O)c2c1	238516919	573787056	/nfs/dbraw/zinc/78/70/56/573787056.db2.gz	FEINMMACEFLNLI-UHFFFAOYSA-N	0	0	186.254	3.471	10	0		AGAERN
Cc1ccc(F)c2c(C3CC3)c[nH]c12	238503683	573786316	/nfs/dbraw/zinc/78/63/16/573786316.db2.gz	FAEJULGHUAAHKF-UHFFFAOYSA-N	0	0	189.233	3.493	10	0		AGAERN
C[C@H]1Nc2ccccc2Cn2cccc21	238500803	573786646	/nfs/dbraw/zinc/78/66/46/573786646.db2.gz	LTABSDPXAUJUDL-SNVBAGLBSA-N	0	0	198.269	3.023	10	0		AGAERN
CC(C)(C)/C=C(/CO)c1ccccc1	238114523	573786701	/nfs/dbraw/zinc/78/67/01/573786701.db2.gz	PLIUQMBHNCMIGC-XFXZXTDPSA-N	0	0	190.286	3.108	10	0		AGAERN
CCC/C=C/COCCCC	33840999	573786774	/nfs/dbraw/zinc/78/67/74/573786774.db2.gz	LXDQSUZPIXBWIQ-BQYQJAHWSA-N	0	0	156.269	3.159	10	0		AGAERN
CC(C)=C(CCO)c1cccc(C)c1	238114622	573786887	/nfs/dbraw/zinc/78/68/87/573786887.db2.gz	GRXIEVRFPVGYJW-UHFFFAOYSA-N	0	0	190.286	3.171	10	0		AGAERN
C/C=C(/c1ccccc1)[C@H](O)CCC	308439976	573792363	/nfs/dbraw/zinc/79/23/63/573792363.db2.gz	CGHWNDADSMVCGF-TWEXNZEWSA-N	0	0	190.286	3.251	10	0		AGAERN
CC1=CCC(=C(C)C)[C@H](CCO)C1	238119706	573792917	/nfs/dbraw/zinc/79/29/17/573792917.db2.gz	VWBCTNARUZCDJY-LLVKDONJSA-N	0	0	180.291	3.062	10	0		AGAERN
C[C@H](CCO)OC1=CCCCCCC1	308440398	573794085	/nfs/dbraw/zinc/79/40/85/573794085.db2.gz	FDMBFBGIXMAVIG-LLVKDONJSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)(C)[C@@H]1C=Nc2ccccc2N1	238104312	573794131	/nfs/dbraw/zinc/79/41/31/573794131.db2.gz	VLGHNTLHXHJAIA-NSHDSACASA-N	0	0	188.274	3.229	10	0		AGAERN
CC1=C(C)C=CC(CO)(C(C)C)C=C1	238103450	573793660	/nfs/dbraw/zinc/79/36/60/573793660.db2.gz	BGISGMSCPXXIJJ-UHFFFAOYSA-N	0	0	192.302	3.084	10	0		AGAERN
C/C=C/[C@H](C)C[C@@H](O)c1ccccc1	308442723	573793781	/nfs/dbraw/zinc/79/37/81/573793781.db2.gz	GXQJLLXBWRJFCF-LXDSGBGESA-N	0	0	190.286	3.322	10	0		AGAERN
CCC[C@@H](C)C(=O)c1cc(C)ccn1	233272214	573793941	/nfs/dbraw/zinc/79/39/41/573793941.db2.gz	YJPFYCQSMFGEFU-SNVBAGLBSA-N	0	0	191.274	3.009	10	0		AGAERN
CCSCc1cnc(C)n1C(C)C	258128563	573798946	/nfs/dbraw/zinc/79/89/46/573798946.db2.gz	JZPMUPWDGMGHFQ-UHFFFAOYSA-N	0	0	198.335	3.026	10	0		AGAERN
Cc1cc(C)c([C@H](C)[C@H](C)O)cc1C	87142060	573798991	/nfs/dbraw/zinc/79/89/91/573798991.db2.gz	FFBGYMYORYRYOS-NEPJUHHUSA-N	0	0	192.302	3.096	10	0		AGAERN
C=C/C(C)=C/C[C@@H](O)c1ccccc1	308443090	573799146	/nfs/dbraw/zinc/79/91/46/573799146.db2.gz	HQVPFTDGNGRKSR-YGNAEDSMSA-N	0	0	188.270	3.242	10	0		AGAERN
CC(C)[C@@H](O)C/C=C\c1ccccc1	308442820	573799154	/nfs/dbraw/zinc/79/91/54/573799154.db2.gz	HKEFIWMBYYRTEE-XURPKSDJSA-N	0	0	190.286	3.107	10	0		AGAERN
CC(=O)[C@@]12CCCC=C1CCCC2	238105395	573799231	/nfs/dbraw/zinc/79/92/31/573799231.db2.gz	ZWSNFMZUGVNNBH-LBPRGKRZSA-N	0	0	178.275	3.246	10	0		AGAERN
CCCC(=O)c1coc2ccccc12	122694018	573799422	/nfs/dbraw/zinc/79/94/22/573799422.db2.gz	QRWCZJXDJCUZLI-UHFFFAOYSA-N	0	0	188.226	3.416	10	0		AGAERN
C[C@@H]1CSc2c(Cl)cccc2N1	259191569	573799535	/nfs/dbraw/zinc/79/95/35/573799535.db2.gz	KFCRANJSKKDRBZ-ZCFIWIBFSA-N	0	0	199.706	3.246	10	0		AGAERN
C=Cc1ccc(-c2ccccn2)c(O)c1	35904682	573799635	/nfs/dbraw/zinc/79/96/35/573799635.db2.gz	ODBBJTVYHMSBMO-UHFFFAOYSA-N	0	0	197.237	3.097	10	0		AGAERN
CC(C)CC(=S)Nc1ccccc1	238126530	573800442	/nfs/dbraw/zinc/80/04/42/573800442.db2.gz	AZUHBPYEQAUZAX-UHFFFAOYSA-N	0	0	193.315	3.472	10	0		AGAERN
C[C@H]1CSc2c(Cl)cccc2N1	259191567	573799679	/nfs/dbraw/zinc/79/96/79/573799679.db2.gz	KFCRANJSKKDRBZ-LURJTMIESA-N	0	0	199.706	3.246	10	0		AGAERN
Cc1cc(C(F)F)nc(C)c1Cl	238514482	573799688	/nfs/dbraw/zinc/79/96/88/573799688.db2.gz	QFUNZRQNFWHYIF-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
Cc1cc(C2CCCCC2)nc(C)n1	259191437	573799741	/nfs/dbraw/zinc/79/97/41/573799741.db2.gz	VTVXFVLXERUXPL-UHFFFAOYSA-N	0	0	190.290	3.141	10	0		AGAERN
Cc1ccc2[nH]c(C(C)C)nc2c1C	76211233	573799880	/nfs/dbraw/zinc/79/98/80/573799880.db2.gz	FODUXTGFCBMMDN-UHFFFAOYSA-N	0	0	188.274	3.303	10	0		AGAERN
CCC(CC)Nc1ccc(F)c(N)c1	87156693	573800093	/nfs/dbraw/zinc/80/00/93/573800093.db2.gz	OEIOQMVTESXCTL-UHFFFAOYSA-N	0	0	196.269	3.008	10	0		AGAERN
Cc1ccc(N)c(N[C@@H](C)C(C)C)c1	87149525	573800107	/nfs/dbraw/zinc/80/01/07/573800107.db2.gz	DEFVTLBZYPLKBV-JTQLQIEISA-N	0	0	192.306	3.034	10	0		AGAERN
CCC(CC)CNc1c(C)noc1C	308748319	573800117	/nfs/dbraw/zinc/80/01/17/573800117.db2.gz	SMKIIWXVOPNRDN-UHFFFAOYSA-N	0	0	196.294	3.140	10	0		AGAERN
CCc1nc(C)c(C(F)(F)F)s1	259190262	573800120	/nfs/dbraw/zinc/80/01/20/573800120.db2.gz	GPXOPQGOXCTBHY-UHFFFAOYSA-N	0	0	195.209	3.033	10	0		AGAERN
CCC(CC)Nc1cc(C)ccc1N	87149466	573800130	/nfs/dbraw/zinc/80/01/30/573800130.db2.gz	WRFDBYTUQIFEHJ-UHFFFAOYSA-N	0	0	192.306	3.178	10	0		AGAERN
CCCCc1ccc2[nH]c(C)nc2c1	76209566	573800200	/nfs/dbraw/zinc/80/02/00/573800200.db2.gz	IIXAYSVKVSNHOA-UHFFFAOYSA-N	0	0	188.274	3.214	10	0		AGAERN
Cc1cc2ccsc2c(O)c1C	238514017	573800224	/nfs/dbraw/zinc/80/02/24/573800224.db2.gz	PGZCDIKCXAIAFC-UHFFFAOYSA-N	0	0	178.256	3.224	10	0		AGAERN
Cc1ccc(C(C)C)cc1C(C)(C)O	258131073	573800242	/nfs/dbraw/zinc/80/02/42/573800242.db2.gz	RLOULUDQBAGXRZ-UHFFFAOYSA-N	0	0	192.302	3.346	10	0		AGAERN
CC(=O)[C@]12CCCC[C@@H]1CC=C2C	238105731	573800407	/nfs/dbraw/zinc/80/04/07/573800407.db2.gz	VLGNHMKAXICJGU-VXGBXAGGSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)CC(=S)NC1CCCCC1	238126436	573800878	/nfs/dbraw/zinc/80/08/78/573800878.db2.gz	RJNYWOOWXCMWSS-UHFFFAOYSA-N	0	0	199.363	3.282	10	0		AGAERN
Cc1cc2cnsc2cc1Cl	238515396	573800880	/nfs/dbraw/zinc/80/08/80/573800880.db2.gz	UWCQFHBHZHFHOU-UHFFFAOYSA-N	0	0	183.663	3.258	10	0		AGAERN
CC(C)=C1C[C@]2(C)CC[C@H]1C(=O)C2	238124712	573800945	/nfs/dbraw/zinc/80/09/45/573800945.db2.gz	FRJICZDXRGBDAR-SKDRFNHKSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)[C@H](O)C/C=C\c1ccccc1	308442819	573800972	/nfs/dbraw/zinc/80/09/72/573800972.db2.gz	HKEFIWMBYYRTEE-OYVUYXNMSA-N	0	0	190.286	3.107	10	0		AGAERN
CCCC(F)(F)c1ccc(N)cc1	258953490	573801039	/nfs/dbraw/zinc/80/10/39/573801039.db2.gz	FNVLGYSCZOIGNG-UHFFFAOYSA-N	0	0	185.217	3.161	10	0		AGAERN
C[C@@H]1Cc2c(F)cccc2NC1(C)C	258128534	573801072	/nfs/dbraw/zinc/80/10/72/573801072.db2.gz	JYWNJPACJYCTJM-MRVPVSSYSA-N	0	0	193.265	3.208	10	0		AGAERN
Cc1ccc(N)c(NCCC(C)C)c1	87149486	573801207	/nfs/dbraw/zinc/80/12/07/573801207.db2.gz	NVYFNSWPQGFHTN-UHFFFAOYSA-N	0	0	192.306	3.035	10	0		AGAERN
Cc1ccc(N)c(NCC(C)(C)C)c1	87149792	573801298	/nfs/dbraw/zinc/80/12/98/573801298.db2.gz	LZZSWKPPGXFFBZ-UHFFFAOYSA-N	0	0	192.306	3.035	10	0		AGAERN
CC(C)(C)[C@H](CF)c1ccc(O)cc1	258132429	573802821	/nfs/dbraw/zinc/80/28/21/573802821.db2.gz	QJGOFBLZBKYTAL-LLVKDONJSA-N	0	0	196.265	3.491	10	0		AGAERN
CC(C)(C)S/C=C/Br	238127608	573802081	/nfs/dbraw/zinc/80/20/81/573802081.db2.gz	AMGSSXFTGPDYLJ-SNAWJCMRSA-N	0	0	195.125	3.384	10	0		AGAERN
Cc1cccc([C@H]2CC2(C)C)c1N	238514831	573802242	/nfs/dbraw/zinc/80/22/42/573802242.db2.gz	MAIGSRJRVLVNIH-SNVBAGLBSA-N	0	0	175.275	3.091	10	0		AGAERN
CC/C(=C\[C@@H](C)O)c1cccc(C)c1	389373281	573802378	/nfs/dbraw/zinc/80/23/78/573802378.db2.gz	ZEGWJMMHYKWVID-LWMMSDEHSA-N	0	0	190.286	3.169	10	0		AGAERN
CCC(CC)Nc1cc(N)ccc1F	87156688	573802496	/nfs/dbraw/zinc/80/24/96/573802496.db2.gz	GSLLGKOOBGDRCR-UHFFFAOYSA-N	0	0	196.269	3.008	10	0		AGAERN
CCC(C)(C)Nc1cc(C)ccc1N	87149528	573802546	/nfs/dbraw/zinc/80/25/46/573802546.db2.gz	ODPLVNOUJFLEMO-UHFFFAOYSA-N	0	0	192.306	3.178	10	0		AGAERN
CCC(C)(C)Oc1cc(C)ccc1N	87150513	573802552	/nfs/dbraw/zinc/80/25/52/573802552.db2.gz	KPHNRVWEVSIEGY-UHFFFAOYSA-N	0	0	193.290	3.145	10	0		AGAERN
CC/C(=C\[C@H](C)O)c1cccc(C)c1	389373283	573802558	/nfs/dbraw/zinc/80/25/58/573802558.db2.gz	ZEGWJMMHYKWVID-UTEVDWOZSA-N	0	0	190.286	3.169	10	0		AGAERN
CSCc1coc2cc(O)ccc12	258134191	573802697	/nfs/dbraw/zinc/80/26/97/573802697.db2.gz	VFDZUTRBJNSWDS-UHFFFAOYSA-N	0	0	194.255	3.001	10	0		AGAERN
CCC(CC)[C@H]1CCCCC1=O	87158145	573802762	/nfs/dbraw/zinc/80/27/62/573802762.db2.gz	QVMAJESUGRGOMJ-SNVBAGLBSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)=C1CCC2=C[C@H](O)CC[C@H]2C1	238128487	573802936	/nfs/dbraw/zinc/80/29/36/573802936.db2.gz	JZVSJBUSXKTMJG-WCQYABFASA-N	0	0	192.302	3.204	10	0		AGAERN
CC[C@H](C)OC(=O)c1csc(C)c1	393563409	573802939	/nfs/dbraw/zinc/80/29/39/573802939.db2.gz	KXPBDHMOLRSUIM-ZETCQYMHSA-N	0	0	198.287	3.012	10	0		AGAERN
CC(C)(C)[C@@H](CF)c1ccc(O)cc1	258132434	573803080	/nfs/dbraw/zinc/80/30/80/573803080.db2.gz	QJGOFBLZBKYTAL-NSHDSACASA-N	0	0	196.265	3.491	10	0		AGAERN
CNc1nc(C)c(CCC(C)C)s1	258952684	573803122	/nfs/dbraw/zinc/80/31/22/573803122.db2.gz	YZQGEEKFRXZLPD-UHFFFAOYSA-N	0	0	198.335	3.082	10	0		AGAERN
CCCC[C@H](O)/C=C/c1ccccc1	33844963	573803183	/nfs/dbraw/zinc/80/31/83/573803183.db2.gz	AOVMABJRZUKJSI-NHAQELONSA-N	0	0	190.286	3.251	10	0		AGAERN
Cc1ccc2c(C)c(O)ccc2c1C	238516664	573803225	/nfs/dbraw/zinc/80/32/25/573803225.db2.gz	CAWRQGJXYZRJCM-UHFFFAOYSA-N	0	0	186.254	3.471	10	0		AGAERN
Cc1cc(O)c2c(c1)C1CCC2CC1	238515708	573803343	/nfs/dbraw/zinc/80/33/43/573803343.db2.gz	GPDUGLCWTXGQFT-UHFFFAOYSA-N	0	0	188.270	3.455	10	0		AGAERN
Cc1ccc(N)c(SC(C)(C)C)c1	87150593	573803430	/nfs/dbraw/zinc/80/34/30/573803430.db2.gz	GQXKYICCLZFBJT-UHFFFAOYSA-N	0	0	195.331	3.468	10	0		AGAERN
Cc1cc(Cl)nc(C(F)F)c1C	238516251	573803531	/nfs/dbraw/zinc/80/35/31/573803531.db2.gz	TXJNOJYLGZGIKP-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
CCn1c(=S)[nH]c2ccc(C)cc21	87150788	573803658	/nfs/dbraw/zinc/80/36/58/573803658.db2.gz	XFYXLEFMBHKMAG-UHFFFAOYSA-N	0	0	192.287	3.027	10	0		AGAERN
Cc1ccc2c(C)c(C)[nH]c2c1F	238516124	573803670	/nfs/dbraw/zinc/80/36/70/573803670.db2.gz	IGOURYZMOSEVJH-UHFFFAOYSA-N	0	0	177.222	3.232	10	0		AGAERN
CC(C)=C1CCC2=C[C@@H](O)CC[C@@H]2C1	238128410	573803689	/nfs/dbraw/zinc/80/36/89/573803689.db2.gz	JZVSJBUSXKTMJG-YPMHNXCESA-N	0	0	192.302	3.204	10	0		AGAERN
Cc1ccc(N)c(N[C@H](C)C(C)C)c1	87149527	573803771	/nfs/dbraw/zinc/80/37/71/573803771.db2.gz	DEFVTLBZYPLKBV-SNVBAGLBSA-N	0	0	192.306	3.034	10	0		AGAERN
CCC(CC)[C@H]1C[C@H](C)CCC1=O	87158162	573805800	/nfs/dbraw/zinc/80/58/00/573805800.db2.gz	KUXWDFPFQAFTCE-MWLCHTKSSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(CC)[C@]1(O)CCC[C@@H](C)C1	87158307	573806726	/nfs/dbraw/zinc/80/67/26/573806726.db2.gz	XTVBOHLEAJVWIT-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(CC)[C@@H]1C[C@H](C)CC[C@@H]1O	87171665	573806732	/nfs/dbraw/zinc/80/67/32/573806732.db2.gz	OXKPCSBYBHLGMP-USWWRNFRSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1cc(O)c2[nH]cc(C3CC3)c2c1	238516160	573806744	/nfs/dbraw/zinc/80/67/44/573806744.db2.gz	ASQUNAQMXJKVMT-UHFFFAOYSA-N	0	0	187.242	3.059	10	0		AGAERN
CC(C)(C)/C=C1\C[C@@H]2CCC(=O)[C@@H]2C1	33844988	573805849	/nfs/dbraw/zinc/80/58/49/573805849.db2.gz	RDFQBUYFFVKJRJ-CJUJNCCTSA-N	0	0	192.302	3.348	10	0		AGAERN
CCN(C)c1c(C)c(C)cc(C)c1C	258957274	573806067	/nfs/dbraw/zinc/80/60/67/573806067.db2.gz	AKJVNEMPTHDWRM-UHFFFAOYSA-N	0	0	191.318	3.376	10	0		AGAERN
COCc1csc2ccc(F)cc12	258131718	573806196	/nfs/dbraw/zinc/80/61/96/573806196.db2.gz	VDXHOOOMCGCSRH-UHFFFAOYSA-N	0	0	196.246	3.187	10	0		AGAERN
CCCC[C@@H](O)/C=C/c1ccccc1	33844964	573806224	/nfs/dbraw/zinc/80/62/24/573806224.db2.gz	AOVMABJRZUKJSI-OCHBPSSRSA-N	0	0	190.286	3.251	10	0		AGAERN
CCC(CC)C1(O)CCCCC1	87158292	573806307	/nfs/dbraw/zinc/80/63/07/573806307.db2.gz	OPAFUZVALKCMML-UHFFFAOYSA-N	0	0	170.296	3.118	10	0		AGAERN
CCOC(=O)/C=C/C=C(\CC)C(C)C	308439158	573806429	/nfs/dbraw/zinc/80/64/29/573806429.db2.gz	CDCCSTFWKDOLMP-BIZFVBGRSA-N	0	0	196.290	3.098	10	0		AGAERN
CNc1ccc(CC2CCCC2)cc1	259197491	573806472	/nfs/dbraw/zinc/80/64/72/573806472.db2.gz	RQZUIJWBAHGLPZ-UHFFFAOYSA-N	0	0	189.302	3.461	10	0		AGAERN
Cc1cc(Cl)nc(C(F)F)c1F	238516667	573806479	/nfs/dbraw/zinc/80/64/79/573806479.db2.gz	REBWHTJKKXGBMC-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
CC(C)(/C=C\C1CCCCC1)CO	221995618	573806610	/nfs/dbraw/zinc/80/66/10/573806610.db2.gz	MRQCVVCESQCHPE-HJWRWDBZSA-N	0	0	182.307	3.141	10	0		AGAERN
O=C(CCC1CCC1)C1CCCC1	127267977	573809259	/nfs/dbraw/zinc/80/92/59/573809259.db2.gz	ZVLSYPSFLZGIAS-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
CCC(CC)[C@@H]1C[C@@H](C)CCC1=O	87158164	573809297	/nfs/dbraw/zinc/80/92/97/573809297.db2.gz	KUXWDFPFQAFTCE-ONGXEEELSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(CC)[C@@]1(O)CCCC1(C)C	87158966	573809379	/nfs/dbraw/zinc/80/93/79/573809379.db2.gz	BUJBCEKBUKJXRS-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
C=C/C=C\CCC[C@H](O)/C=C/C=C\C	308443614	573809430	/nfs/dbraw/zinc/80/94/30/573809430.db2.gz	IRXBAOKCNUPLFR-SMCDRLIUSA-N	0	0	192.302	3.392	10	0		AGAERN
CC1(C)[C@@H](O)C2=CCCCCCC[C@@H]21	308443691	573809498	/nfs/dbraw/zinc/80/94/98/573809498.db2.gz	ISKPKQNGYJKPQF-RYUDHWBXSA-N	0	0	194.318	3.284	10	0		AGAERN
CCC(CC)C(=O)CC(C)C	87169170	573809512	/nfs/dbraw/zinc/80/95/12/573809512.db2.gz	RWHQMXMQXPJVMN-UHFFFAOYSA-N	0	0	156.269	3.038	10	0		AGAERN
CCC(CC)[C@]1(O)CCCC[C@@H]1C	87158331	573809597	/nfs/dbraw/zinc/80/95/97/573809597.db2.gz	JNUUYLCCOIUEED-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@@H](C)C[C@@H]([NH2+]CC)C(F)F	233273362	573809948	/nfs/dbraw/zinc/80/99/48/573809948.db2.gz	GNJPQFLFLGCHKJ-RKDXNWHRSA-N	0	0	193.281	3.056	10	0		AGAERN
Fc1cccc(C2CCCCC2)n1	238530170	573810026	/nfs/dbraw/zinc/81/00/26/573810026.db2.gz	IMFKPWMQGYGHMV-UHFFFAOYSA-N	0	0	179.238	3.268	10	0		AGAERN
CCC(CC)[C@@H]1C[C@H](C)CCC1=O	87158160	573810029	/nfs/dbraw/zinc/81/00/29/573810029.db2.gz	KUXWDFPFQAFTCE-KOLCDFICSA-N	0	0	182.307	3.428	10	0		AGAERN
C/C=C/CCC(=O)C1CCCC1	127271826	573810039	/nfs/dbraw/zinc/81/00/39/573810039.db2.gz	IYAFBJVQMAFKNA-NSCUHMNNSA-N	0	0	166.264	3.102	10	0		AGAERN
Cc1csc2cc([C@H](C)O)ccc12	258141611	573812468	/nfs/dbraw/zinc/81/24/68/573812468.db2.gz	QLLLCRAQTFQENL-QMMMGPOBSA-N	0	0	192.283	3.263	10	0		AGAERN
CCC(CC)[C@H]1CCC(=O)[C@H]1C	87174559	573812481	/nfs/dbraw/zinc/81/24/81/573812481.db2.gz	BEJAXOMMSQAUPQ-WPRPVWTQSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)(C)[C@H](CF)c1ccccc1O	258140050	573811717	/nfs/dbraw/zinc/81/17/17/573811717.db2.gz	QZMYTRROHQJUNT-SNVBAGLBSA-N	0	0	196.265	3.491	10	0		AGAERN
CC1(C)[C@H](O)C2=CCCCCCC[C@H]21	308443692	573811736	/nfs/dbraw/zinc/81/17/36/573811736.db2.gz	ISKPKQNGYJKPQF-VXGBXAGGSA-N	0	0	194.318	3.284	10	0		AGAERN
CCC(CC)[C@H]1CCCC[C@H](O)C1	87175054	573811791	/nfs/dbraw/zinc/81/17/91/573811791.db2.gz	VZMKFDFGLRUVKP-RYUDHWBXSA-N	0	0	184.323	3.364	10	0		AGAERN
C=C/C=C/CCC[C@H](O)/C=C/C=C\C	308443612	573811849	/nfs/dbraw/zinc/81/18/49/573811849.db2.gz	IRXBAOKCNUPLFR-FWKUSQTASA-N	0	0	192.302	3.392	10	0		AGAERN
CCCC[C@@H](CC)C[C@H](O)C1CC1	43456366	573811927	/nfs/dbraw/zinc/81/19/27/573811927.db2.gz	ZVCAEHBIBQNKPR-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1ccc(SC(C)(C)O)cc1C	259198429	573811977	/nfs/dbraw/zinc/81/19/77/573811977.db2.gz	KIASXCRPEJXPBF-UHFFFAOYSA-N	0	0	196.315	3.124	10	0		AGAERN
CCC(CC)c1ccccc1CNO	258140893	573811994	/nfs/dbraw/zinc/81/19/94/573811994.db2.gz	SLIFBHXWAGBAGU-UHFFFAOYSA-N	0	0	193.290	3.069	10	0		AGAERN
CC[C@H](C)[C@@H](O)C(C)(C)C(C)(C)C	393564137	573812170	/nfs/dbraw/zinc/81/21/70/573812170.db2.gz	MOZSQWOZMVLCSL-VHSXEESVSA-N	0	0	186.339	3.466	10	0		AGAERN
CCC(CC)[C@H]1Cc2ccccc2N1	87174387	573812175	/nfs/dbraw/zinc/81/21/75/573812175.db2.gz	ZDWYIGYOAJAUCK-CYBMUJFWSA-N	0	0	189.302	3.459	10	0		AGAERN
CC(C)(C)[C@@H](CF)c1ccccc1O	258140047	573812256	/nfs/dbraw/zinc/81/22/56/573812256.db2.gz	QZMYTRROHQJUNT-JTQLQIEISA-N	0	0	196.265	3.491	10	0		AGAERN
CCC(CC)[C@@H]1CCCC[C@H](O)C1	87175052	573812264	/nfs/dbraw/zinc/81/22/64/573812264.db2.gz	VZMKFDFGLRUVKP-NEPJUHHUSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H](C)[C@H](O)C(C)(C)C(C)(C)C	393564138	573812383	/nfs/dbraw/zinc/81/23/83/573812383.db2.gz	MOZSQWOZMVLCSL-ZJUUUORDSA-N	0	0	186.339	3.466	10	0		AGAERN
C=C=Cc1cc(C(C)(C)C)ccc1O	238123463	573812396	/nfs/dbraw/zinc/81/23/96/573812396.db2.gz	NVCPHPRKNNEOQH-UHFFFAOYSA-N	0	0	188.270	3.488	10	0		AGAERN
Cc1cnc2c(c1)Oc1ccccc1N2	238514248	573819046	/nfs/dbraw/zinc/81/90/46/573819046.db2.gz	DHWGNRTVRZNBDU-UHFFFAOYSA-N	0	0	198.225	3.239	10	0		AGAERN
C=CC(=C)c1ccc(C(C)=O)cc1	238139373	573819203	/nfs/dbraw/zinc/81/92/03/573819203.db2.gz	XIOFCUFHYUEYQD-UHFFFAOYSA-N	0	0	172.227	3.088	10	0		AGAERN
CC(C)(C)C1=CCCCCC[C@H]1O	238137391	573819234	/nfs/dbraw/zinc/81/92/34/573819234.db2.gz	AXZUXSAZCWUXOE-LLVKDONJSA-N	0	0	182.307	3.284	10	0		AGAERN
C=Cc1ccc2c(c1)SCCC2	238135911	573819332	/nfs/dbraw/zinc/81/93/32/573819332.db2.gz	DNQXMMXWUHPZKZ-UHFFFAOYSA-N	0	0	176.284	3.368	10	0		AGAERN
Cc1cc(CCc2ccccc2)c[nH]1	238523896	573819341	/nfs/dbraw/zinc/81/93/41/573819341.db2.gz	VKGYGJXDYVFFRK-UHFFFAOYSA-N	0	0	185.270	3.108	10	0		AGAERN
CC(C)c1cc([C@@H](C)O)ccc1F	258147932	573820651	/nfs/dbraw/zinc/82/06/51/573820651.db2.gz	TWMIJWPFGNMIKX-MRVPVSSYSA-N	0	0	182.238	3.002	10	0		AGAERN
CC(C)(C)[C@H](CF)c1cccc(N)c1	258145577	573821391	/nfs/dbraw/zinc/82/13/91/573821391.db2.gz	ROGABZORCANQAC-LLVKDONJSA-N	0	0	195.281	3.368	10	0		AGAERN
CC(C)=CC(=S)NC1CCCCC1	238137804	573820675	/nfs/dbraw/zinc/82/06/75/573820675.db2.gz	GWTUVEXBVKEZOV-UHFFFAOYSA-N	0	0	197.347	3.202	10	0		AGAERN
CC(C)(C)[C@@H](CF)c1cccc(N)c1	258145579	573820942	/nfs/dbraw/zinc/82/09/42/573820942.db2.gz	ROGABZORCANQAC-NSHDSACASA-N	0	0	195.281	3.368	10	0		AGAERN
C=Cc1ccc([C@H]2CCC(=O)C2)cc1	238135067	573821062	/nfs/dbraw/zinc/82/10/62/573821062.db2.gz	TVMDTENRJNGFPC-LBPRGKRZSA-N	0	0	186.254	3.166	10	0		AGAERN
C=Cc1cccc([C@H]2CCC(=O)C2)c1	238137592	573821191	/nfs/dbraw/zinc/82/11/91/573821191.db2.gz	RTLIZAWOWPXULY-LBPRGKRZSA-N	0	0	186.254	3.166	10	0		AGAERN
C=Cc1cccc([C@H]2CCCC2=O)c1	238137671	573821217	/nfs/dbraw/zinc/82/12/17/573821217.db2.gz	CMEGUQUGWRUQPE-GFCCVEGCSA-N	0	0	186.254	3.166	10	0		AGAERN
C=Cc1cccc2c1C(=O)CCS2	238138637	573821241	/nfs/dbraw/zinc/82/12/41/573821241.db2.gz	KNKVZIDGBVJZLQ-UHFFFAOYSA-N	0	0	190.267	3.008	10	0		AGAERN
C=Cc1cccc2c1SCCC2	238138236	573821265	/nfs/dbraw/zinc/82/12/65/573821265.db2.gz	WTADTFWLSCVMPI-UHFFFAOYSA-N	0	0	176.284	3.368	10	0		AGAERN
Nc1cccc(/C(F)=C(/F)Cl)c1	198600245	573822457	/nfs/dbraw/zinc/82/24/57/573822457.db2.gz	HPJHTKRAUUDEPC-FPLPWBNLSA-N	0	0	189.592	3.073	10	0		AGAERN
O=C1CC(c2cccc3ccccc23)C1	87199177	573822562	/nfs/dbraw/zinc/82/25/62/573822562.db2.gz	OVLLSKWNTYXKSB-UHFFFAOYSA-N	0	0	196.249	3.286	10	0		AGAERN
C=Cc1ccc(-c2ccncc2)cc1	87198224	573822840	/nfs/dbraw/zinc/82/28/40/573822840.db2.gz	SKHJPMKBXYANGT-UHFFFAOYSA-N	0	0	181.238	3.392	10	0		AGAERN
C=Cc1sccc1Br	87198229	573823146	/nfs/dbraw/zinc/82/31/46/573823146.db2.gz	DBKZARIYGFQWMM-UHFFFAOYSA-N	0	0	189.077	3.154	10	0		AGAERN
Cc1cc(O)ccc1CCC(C)C	238129433	573824336	/nfs/dbraw/zinc/82/43/36/573824336.db2.gz	UCXKDKDSXHDERB-UHFFFAOYSA-N	0	0	178.275	3.289	10	0		AGAERN
Cc1cc2ccc3c(c2[nH]1)CCCC3	238525390	573824400	/nfs/dbraw/zinc/82/44/00/573824400.db2.gz	LAUFKQVKFODOFW-UHFFFAOYSA-N	0	0	185.270	3.355	10	0		AGAERN
Cc1cnc(Cl)c2sccc12	238524768	573824767	/nfs/dbraw/zinc/82/47/67/573824767.db2.gz	FRFQGDIKIKMVEX-UHFFFAOYSA-N	0	0	183.663	3.258	10	0		AGAERN
C/C=C(/C)CNc1cccc(OC)c1	308750183	573824998	/nfs/dbraw/zinc/82/49/98/573824998.db2.gz	UDTYSSLLCUKHTL-WMZJFQQLSA-N	0	0	191.274	3.073	10	0		AGAERN
CC(C)c1ccc(C2CC(O)C2)cc1	87200172	573825059	/nfs/dbraw/zinc/82/50/59/573825059.db2.gz	JFMMXJCUADKIEP-UHFFFAOYSA-N	0	0	190.286	3.048	10	0		AGAERN
Cc1cc(C)c(C2CC(=O)C2)c(C)c1	87199188	573825251	/nfs/dbraw/zinc/82/52/51/573825251.db2.gz	LHBAYJMWYNLFGR-UHFFFAOYSA-N	0	0	188.270	3.058	10	0		AGAERN
Cc1cnc(Cl)c2cc(F)ccc12	238524537	573825987	/nfs/dbraw/zinc/82/59/87/573825987.db2.gz	AINMNLPFCBVHJM-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
CCC1([C@H](O)C=C(C)C)CCCC1	122795271	573825541	/nfs/dbraw/zinc/82/55/41/573825541.db2.gz	YZNSHPSUFLOSIB-LLVKDONJSA-N	0	0	182.307	3.284	10	0		AGAERN
Cc1ccc(CCC(C)C)c(O)c1	238129089	573825556	/nfs/dbraw/zinc/82/55/56/573825556.db2.gz	PUBCBOAHKFJLIT-UHFFFAOYSA-N	0	0	178.275	3.289	10	0		AGAERN
Cc1cc2cc3ccccc3nc2[nH]1	238525301	573825559	/nfs/dbraw/zinc/82/55/59/573825559.db2.gz	GLEKLBRMXAVJNI-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
CC(C)=C1C[C@H]2CC(=O)C[C@@H](C1)C2	238129177	573825575	/nfs/dbraw/zinc/82/55/75/573825575.db2.gz	AGEADWNQWPQUGM-AOOOYVTPSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)CC1(C)CCC(=O)CC1	238130492	573825882	/nfs/dbraw/zinc/82/58/82/573825882.db2.gz	OUTOCENGGHDDHF-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@@H](c1ccccc1)[C@H](C)CO	308444953	573827204	/nfs/dbraw/zinc/82/72/04/573827204.db2.gz	KVDOOEAGXHOGPJ-DGCLKSJQSA-N	0	0	192.302	3.199	10	0		AGAERN
CCC[C@@H](C)CNc1c(C)noc1C	308752573	573827208	/nfs/dbraw/zinc/82/72/08/573827208.db2.gz	UZMKNPLCASUXOC-MRVPVSSYSA-N	0	0	196.294	3.140	10	0		AGAERN
Cc1nc(Nc2ccccc2)oc1C	238525888	573827355	/nfs/dbraw/zinc/82/73/55/573827355.db2.gz	ZFGQUQBUBMFACD-UHFFFAOYSA-N	0	0	188.230	3.035	10	0		AGAERN
Cc1cnc(Cl)c2cccc(F)c12	238524583	573827399	/nfs/dbraw/zinc/82/73/99/573827399.db2.gz	LSRVFNJDWMKTND-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
Cc1ccc2ccc(C=O)c-2c(C)c1	238527564	573829446	/nfs/dbraw/zinc/82/94/46/573829446.db2.gz	FLRWRXUUACKKEC-UHFFFAOYSA-N	0	0	184.238	3.221	10	0		AGAERN
Cc1cccc(N)c1[C@H]1CC1(C)C	238531606	573829474	/nfs/dbraw/zinc/82/94/74/573829474.db2.gz	BYSBLRQLCBEPEM-SECBINFHSA-N	0	0	175.275	3.091	10	0		AGAERN
CC(C)C[C@H]1CC[C@@H](C)CC1=O	238148661	573829492	/nfs/dbraw/zinc/82/94/92/573829492.db2.gz	FDWDTINGCGFVIS-NXEZZACHSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)(C)[C@@H](O)C[C@@H]1C[C@@H]2CC[C@H]1C2	238147605	573829539	/nfs/dbraw/zinc/82/95/39/573829539.db2.gz	NRFVVQVDADGEBN-RHYQMDGZSA-N	0	0	196.334	3.220	10	0		AGAERN
CC(=O)c1ccccc1[C@@H]1CC1(F)F	258150959	573829557	/nfs/dbraw/zinc/82/95/57/573829557.db2.gz	RZCQDGBDOZFINJ-JTQLQIEISA-N	0	0	196.196	3.012	10	0		AGAERN
Cc1ccc2ccc(C)c(N)c2c1	238527512	573829577	/nfs/dbraw/zinc/82/95/77/573829577.db2.gz	OEZAJEXGOHGPFM-UHFFFAOYSA-N	0	0	171.243	3.039	10	0		AGAERN
COc1ccc2c(c1)NC(C)(C)[C@@H]2C	258142076	573829778	/nfs/dbraw/zinc/82/97/78/573829778.db2.gz	KURCLCSOVJBYRU-MRVPVSSYSA-N	0	0	191.274	3.003	10	0		AGAERN
CC(=O)[C@@H]1C[C@@H]1C1CCCCCC1	84328320	573829796	/nfs/dbraw/zinc/82/97/96/573829796.db2.gz	URNPYRCZEMSYRS-NWDGAFQWSA-N	0	0	180.291	3.182	10	0		AGAERN
CC(=O)[C@H]1C[C@H]1C1CCCCCC1	84328328	573829850	/nfs/dbraw/zinc/82/98/50/573829850.db2.gz	URNPYRCZEMSYRS-NEPJUHHUSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1cccc(N)c1[C@@H]1C=CCC1	238531638	573829913	/nfs/dbraw/zinc/82/99/13/573829913.db2.gz	LCGBZZLGKJZDDP-SNVBAGLBSA-N	0	0	173.259	3.011	10	0		AGAERN
CC(C)=CCC[C@@]1(C)CCC1=O	238148389	573829940	/nfs/dbraw/zinc/82/99/40/573829940.db2.gz	IMQCXZFYFINBPY-NSHDSACASA-N	0	0	166.264	3.102	10	0		AGAERN
CC(=O)CCc1ccccc1C(C)C	308448969	573834575	/nfs/dbraw/zinc/83/45/75/573834575.db2.gz	AMIRJNFUSTWIGO-UHFFFAOYSA-N	0	0	190.286	3.332	10	0		AGAERN
CC(C)=CC[C@@H](O)c1cccc(C)c1	238154852	573834833	/nfs/dbraw/zinc/83/48/33/573834833.db2.gz	OVWBFIZMWXWMEI-CYBMUJFWSA-N	0	0	190.286	3.385	10	0		AGAERN
CC(=O)/C=C(\C)[C@@H]1CC2CCC1CC2	381609852	573834992	/nfs/dbraw/zinc/83/49/92/573834992.db2.gz	IGKMVGJLMZRHQW-HOZGXDFKSA-N	0	0	192.302	3.348	10	0		AGAERN
CC[C@@H](C)C1(O)CCCCCC1	84331901	573835016	/nfs/dbraw/zinc/83/50/16/573835016.db2.gz	WEGGEKVGDNLGJN-SNVBAGLBSA-N	0	0	170.296	3.118	10	0		AGAERN
Cc1cc(Cl)c2sncc2c1	238535284	573838540	/nfs/dbraw/zinc/83/85/40/573838540.db2.gz	HBJRVHIPGPAGEI-UHFFFAOYSA-N	0	0	183.663	3.258	10	0		AGAERN
CC(C)(C)[C@@H]1C[C@H]1c1ccsc1N	238157616	573838560	/nfs/dbraw/zinc/83/85/60/573838560.db2.gz	RIUMYOYQQJWKGB-DTWKUNHWSA-N	0	0	195.331	3.480	10	0		AGAERN
CC(C)C[C@@H]1CC[C@@H](C)C(=O)C1	238156578	573838570	/nfs/dbraw/zinc/83/85/70/573838570.db2.gz	HFYUXVMWJQNCPR-ZJUUUORDSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)(C)[C@@H]1C[C@H]1c1sccc1N	238157646	573838625	/nfs/dbraw/zinc/83/86/25/573838625.db2.gz	ZRKWWTFGSDOSLV-HTQZYQBOSA-N	0	0	195.331	3.480	10	0		AGAERN
CC(C)(C)[C@@H]1C[C@H]1c1cscc1N	238157630	573838778	/nfs/dbraw/zinc/83/87/78/573838778.db2.gz	TVDIVMNHVGCFIC-IONNQARKSA-N	0	0	195.331	3.480	10	0		AGAERN
Cc1cccc2sc(C3CC3)nc12	238535562	573838849	/nfs/dbraw/zinc/83/88/49/573838849.db2.gz	OXHYATVFKUZNMK-UHFFFAOYSA-N	0	0	189.283	3.482	10	0		AGAERN
Clc1cc(C2CCCCC2)cnn1	238535508	573839045	/nfs/dbraw/zinc/83/90/45/573839045.db2.gz	UHAWJZWOTDVESX-UHFFFAOYSA-N	0	0	196.681	3.178	10	0		AGAERN
CCCCc1ccc(/C=C\CO)cc1	308448449	573839073	/nfs/dbraw/zinc/83/90/73/573839073.db2.gz	ONEJZXCFBBENSL-XQRVVYSFSA-N	0	0	190.286	3.035	10	0		AGAERN
CC(C)=CC[C@@]1(C)CCCC[C@@H]1O	238156342	573839152	/nfs/dbraw/zinc/83/91/52/573839152.db2.gz	AYUKSHUHRTYQAJ-NWDGAFQWSA-N	0	0	182.307	3.284	10	0		AGAERN
C/C(=C/C=C\c1ccccc1)[C@@H](C)O	308449260	573839153	/nfs/dbraw/zinc/83/91/53/573839153.db2.gz	RSWOLBRJTOGNKY-PVOJCVBWSA-N	0	0	188.270	3.027	10	0		AGAERN
Cc1c(O)c(Cl)cc2c1CCCC2	238534990	573839188	/nfs/dbraw/zinc/83/91/88/573839188.db2.gz	ZKKDPWQIMVUPJD-UHFFFAOYSA-N	0	0	196.677	3.233	10	0		AGAERN
CC(C)=CCc1cc(C)ccc1N	238159105	573839939	/nfs/dbraw/zinc/83/99/39/573839939.db2.gz	AXTZLQDEEGISDO-UHFFFAOYSA-N	0	0	175.275	3.086	10	0		AGAERN
CC/C(=C\[C@H]1CCC[C@@H](C)C1)[N+](=O)[O-]	84341613	573839957	/nfs/dbraw/zinc/83/99/57/573839957.db2.gz	MCXBSEGMEFQPBY-PCYIOHOOSA-N	0	0	197.278	3.383	10	0		AGAERN
CC(C)(C)[C@H]1CCC[C@H](CO)CC1	84348392	573839983	/nfs/dbraw/zinc/83/99/83/573839983.db2.gz	JBNNXJVISKCWDU-QWRGUYRKSA-N	0	0	184.323	3.221	10	0		AGAERN
CC(C)=CC[C@H](O)c1cccs1	238157382	573840061	/nfs/dbraw/zinc/84/00/61/573840061.db2.gz	DVKHPTMFDFDTGL-VIFPVBQESA-N	0	0	182.288	3.138	10	0		AGAERN
CCCc1nccn1[C@H](C)CC(C)C	308450647	573840065	/nfs/dbraw/zinc/84/00/65/573840065.db2.gz	CEGOIZLHJCXXTJ-LLVKDONJSA-N	0	0	194.322	3.443	10	0		AGAERN
CC(C)=CC[C@]1(C)CCCC[C@H]1O	238158343	573840093	/nfs/dbraw/zinc/84/00/93/573840093.db2.gz	AYUKSHUHRTYQAJ-NEPJUHHUSA-N	0	0	182.307	3.284	10	0		AGAERN
C=Cc1c[nH]c2cc(Cl)ccc12	238535202	573840099	/nfs/dbraw/zinc/84/00/99/573840099.db2.gz	QWDJEHMRHPOKCM-UHFFFAOYSA-N	0	0	177.634	3.464	10	0		AGAERN
CC(C)=CC[C@H](O)c1cccc(C)c1	238157331	573840190	/nfs/dbraw/zinc/84/01/90/573840190.db2.gz	OVWBFIZMWXWMEI-ZDUSSCGKSA-N	0	0	190.286	3.385	10	0		AGAERN
CC(C)C[C@@H]1CC[C@H](C)CC1=O	238156799	573840226	/nfs/dbraw/zinc/84/02/26/573840226.db2.gz	FDWDTINGCGFVIS-UWVGGRQHSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@H](C)CC[C@@H](O)C1CCCC1	127396169	573840233	/nfs/dbraw/zinc/84/02/33/573840233.db2.gz	XGHNWNVIHJZYCL-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1cc(C)c2[nH]ccc2c1C	258516790	573840255	/nfs/dbraw/zinc/84/02/55/573840255.db2.gz	LUUGKJBUJMVNLR-UHFFFAOYSA-N	0	0	159.232	3.093	10	0		AGAERN
CC[C@@H](C)CC[C@@H](O)C1CCCC1	127395959	573840331	/nfs/dbraw/zinc/84/03/31/573840331.db2.gz	XGHNWNVIHJZYCL-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CC/C(=C\[C@H]1CCC[C@H](C)C1)[N+](=O)[O-]	84341609	573840395	/nfs/dbraw/zinc/84/03/95/573840395.db2.gz	MCXBSEGMEFQPBY-CWIHFQEBSA-N	0	0	197.278	3.383	10	0		AGAERN
CC(C)=CC[C@H](O)c1ccc(C)cc1	238157308	573840403	/nfs/dbraw/zinc/84/04/03/573840403.db2.gz	LLTZXXNHVAUPDN-ZDUSSCGKSA-N	0	0	190.286	3.385	10	0		AGAERN
CC(C)(C)[C@@H]1C[C@@H]1c1sccc1N	238156952	573840411	/nfs/dbraw/zinc/84/04/11/573840411.db2.gz	ZRKWWTFGSDOSLV-JGVFFNPUSA-N	0	0	195.331	3.480	10	0		AGAERN
Cc1cc(C)c(C(C)(C)C)c(C)c1N	238534590	573840468	/nfs/dbraw/zinc/84/04/68/573840468.db2.gz	MFRFYBCQRBICBQ-UHFFFAOYSA-N	0	0	191.318	3.492	10	0		AGAERN
CC(C)[C@@H]1C[C@@H]1c1ccc(O)cc1	238160313	573844198	/nfs/dbraw/zinc/84/41/98/573844198.db2.gz	DQSIYTROVVBTPT-NWDGAFQWSA-N	0	0	176.259	3.152	10	0		AGAERN
CC(C)C[C@H]1Nc2ccccc2CO1	238160464	573844290	/nfs/dbraw/zinc/84/42/90/573844290.db2.gz	PFSUOKNNOSSMHB-LBPRGKRZSA-N	0	0	191.274	3.001	10	0		AGAERN
Cc1nc(F)c(C(F)F)cc1Cl	238536746	573844389	/nfs/dbraw/zinc/84/43/89/573844389.db2.gz	GIZGMPUGJBXKSN-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
C/C=C\[C@H](C)c1c(N)ccc(F)c1F	222265949	573844619	/nfs/dbraw/zinc/84/46/19/573844619.db2.gz	KMXZKUHCNHWGLB-AVALRIAPSA-N	0	0	197.228	3.227	10	0		AGAERN
CC(C)Oc1cccc2ccncc12	238159493	573845800	/nfs/dbraw/zinc/84/58/00/573845800.db2.gz	PLMZTRHKZJARBO-UHFFFAOYSA-N	0	0	187.242	3.022	10	0		AGAERN
CCC(CC)C(=O)c1ccc(C)o1	43609158	573846049	/nfs/dbraw/zinc/84/60/49/573846049.db2.gz	JDVBTKGMHDKONC-UHFFFAOYSA-N	0	0	180.247	3.207	10	0		AGAERN
C[C@@H](O)CCC1CCCCCC1	84350554	573846179	/nfs/dbraw/zinc/84/61/79/573846179.db2.gz	KUKCIJJGNWAWHM-SNVBAGLBSA-N	0	0	170.296	3.118	10	0		AGAERN
CC(C)=CCc1ccc(O)cc1C	238159535	573846234	/nfs/dbraw/zinc/84/62/34/573846234.db2.gz	CLYWAIORJSBTBM-UHFFFAOYSA-N	0	0	176.259	3.209	10	0		AGAERN
CC(C)C[C@@H]1C[C@H]1c1cscc1N	238159451	573846265	/nfs/dbraw/zinc/84/62/65/573846265.db2.gz	QMKGOZXJIRESNQ-RKDXNWHRSA-N	0	0	195.331	3.480	10	0		AGAERN
CCSCCCCC[C@@H](O)CC	131359532	573846316	/nfs/dbraw/zinc/84/63/16/573846316.db2.gz	BPZHBXACQSTFBE-JTQLQIEISA-N	0	0	190.352	3.071	10	0		AGAERN
CC(C)C[C@H]1C[C@H]1c1ccsc1N	238152052	573849615	/nfs/dbraw/zinc/84/96/15/573849615.db2.gz	KTOOEVUPCCKMDO-WCBMZHEXSA-N	0	0	195.331	3.480	10	0		AGAERN
CC(C)C[C@H]1C[C@@H]1c1cscc1N	238151445	573849661	/nfs/dbraw/zinc/84/96/61/573849661.db2.gz	QMKGOZXJIRESNQ-IUCAKERBSA-N	0	0	195.331	3.480	10	0		AGAERN
C=C1C=C[C@@H]2C=C[C@@H]2/C1=C/Cl	238539784	573849674	/nfs/dbraw/zinc/84/96/74/573849674.db2.gz	CGLFEZVAGJZDDQ-FABCMWHDSA-N	0	0	164.635	3.037	10	0		AGAERN
CC(C)C[C@H]1C[C@@H]1c1ccsc1N	238151404	573848991	/nfs/dbraw/zinc/84/89/91/573848991.db2.gz	KTOOEVUPCCKMDO-WPRPVWTQSA-N	0	0	195.331	3.480	10	0		AGAERN
C/C=C\[C@H](O)[C@H]1[C@@H](C)CCCC1(C)C	308452105	573849008	/nfs/dbraw/zinc/84/90/08/573849008.db2.gz	SHEPIHCKFYQTTF-TYKHXYLKSA-N	0	0	196.334	3.386	10	0		AGAERN
CCC[C@H](C)[C@H](O)C(C1CC1)C1CC1	308452613	573849015	/nfs/dbraw/zinc/84/90/15/573849015.db2.gz	CVIDRCIKCYKFOM-ZANVPECISA-N	0	0	196.334	3.220	10	0		AGAERN
CCC[C@H](C)[C@@H](O)C(C1CC1)C1CC1	308452610	573849089	/nfs/dbraw/zinc/84/90/89/573849089.db2.gz	CVIDRCIKCYKFOM-TVQRCGJNSA-N	0	0	196.334	3.220	10	0		AGAERN
Cc1ccc2oc(C)c(C)c2c1O	238539095	573849332	/nfs/dbraw/zinc/84/93/32/573849332.db2.gz	DQEVGUSYNFEDJY-UHFFFAOYSA-N	0	0	176.215	3.064	10	0		AGAERN
CC(C)(C)[C@@H]1C=CC=Cc2nc[nH]c21	238150219	573849433	/nfs/dbraw/zinc/84/94/33/573849433.db2.gz	YPTIAUXHHQSWHY-SECBINFHSA-N	0	0	188.274	3.122	10	0		AGAERN
C=C1C=C[C@H]2C=C[C@@H]2/C1=C/Cl	238539764	573851278	/nfs/dbraw/zinc/85/12/78/573851278.db2.gz	CGLFEZVAGJZDDQ-PPLPVMGGSA-N	0	0	164.635	3.037	10	0		AGAERN
CNSc1ccc(C(C)(C)C)cc1	259212763	573850764	/nfs/dbraw/zinc/85/07/64/573850764.db2.gz	LNCFKPXUFWDSGM-UHFFFAOYSA-N	0	0	195.331	3.211	10	0		AGAERN
CC(C)(C)[C@@H]1CCCCc2nc[nH]c21	238153387	573850869	/nfs/dbraw/zinc/85/08/69/573850869.db2.gz	ROGSHVJRIQQWEO-SECBINFHSA-N	0	0	192.306	3.266	10	0		AGAERN
CCSCCCCC[C@H](O)CC	131359739	573850882	/nfs/dbraw/zinc/85/08/82/573850882.db2.gz	BPZHBXACQSTFBE-SNVBAGLBSA-N	0	0	190.352	3.071	10	0		AGAERN
CC(C)C[C@H]1C[C@H]1c1cscc1N	238152072	573850907	/nfs/dbraw/zinc/85/09/07/573850907.db2.gz	QMKGOZXJIRESNQ-DTWKUNHWSA-N	0	0	195.331	3.480	10	0		AGAERN
C=C1C=C[C@H]2C=C[C@H]2/C1=C/Cl	238539604	573850910	/nfs/dbraw/zinc/85/09/10/573850910.db2.gz	CGLFEZVAGJZDDQ-BQRMELFQSA-N	0	0	164.635	3.037	10	0		AGAERN
CNc1cccc(NCCC(C)C)c1	259212764	573850912	/nfs/dbraw/zinc/85/09/12/573850912.db2.gz	JVTGONCMFPJADH-UHFFFAOYSA-N	0	0	192.306	3.186	10	0		AGAERN
Cc1cccc(N)c1[C@@H]1CC1(C)C	238530761	573851016	/nfs/dbraw/zinc/85/10/16/573851016.db2.gz	BYSBLRQLCBEPEM-VIFPVBQESA-N	0	0	175.275	3.091	10	0		AGAERN
C=C1C=C[C@@H]2C=C[C@H]2/C1=C/Cl	238539624	573851110	/nfs/dbraw/zinc/85/11/10/573851110.db2.gz	CGLFEZVAGJZDDQ-BBYBQBAKSA-N	0	0	164.635	3.037	10	0		AGAERN
Cc1cc2cccc([C@H](C)O)c2s1	258155325	573853198	/nfs/dbraw/zinc/85/31/98/573853198.db2.gz	RHNMLQSRLLFEOF-QMMMGPOBSA-N	0	0	192.283	3.263	10	0		AGAERN
CSCc1coc2cccc(F)c12	258973365	573855199	/nfs/dbraw/zinc/85/51/99/573855199.db2.gz	YHLWIXRZEWPMNG-UHFFFAOYSA-N	0	0	196.246	3.435	10	0		AGAERN
CCC[C@H](O)/C=C\c1ccc(C)cc1	308455132	573855223	/nfs/dbraw/zinc/85/52/23/573855223.db2.gz	VMPKHYUJLRESRT-XPSMFNQNSA-N	0	0	190.286	3.169	10	0		AGAERN
Cc1c(F)ccc(OC(C)C)c1C	238154313	573854540	/nfs/dbraw/zinc/85/45/40/573854540.db2.gz	XBWKVPHFTJRJMC-UHFFFAOYSA-N	0	0	182.238	3.230	10	0		AGAERN
Cc1c(OC(C)C)ccc(F)c1F	238154443	573854563	/nfs/dbraw/zinc/85/45/63/573854563.db2.gz	JYLFFENBMJEVFF-UHFFFAOYSA-N	0	0	186.201	3.060	10	0		AGAERN
Cc1cc2cccc([C@@H](C)O)c2s1	258155321	573854711	/nfs/dbraw/zinc/85/47/11/573854711.db2.gz	RHNMLQSRLLFEOF-MRVPVSSYSA-N	0	0	192.283	3.263	10	0		AGAERN
Cc1ccnc(C[C@@H]2C=CCCC2)c1	238541824	573854825	/nfs/dbraw/zinc/85/48/25/573854825.db2.gz	LLXBJPLNRPBGSZ-GFCCVEGCSA-N	0	0	187.286	3.289	10	0		AGAERN
Cc1c(C)c(Cl)c(C)c(C)c1N	238541817	573854967	/nfs/dbraw/zinc/85/49/67/573854967.db2.gz	VVWZVMNIZMMNTG-UHFFFAOYSA-N	0	0	183.682	3.156	10	0		AGAERN
Cc1cc(F)c2ccsc2c1	238542253	573856312	/nfs/dbraw/zinc/85/63/12/573856312.db2.gz	GSCICSAWZZXXLP-UHFFFAOYSA-N	0	0	166.220	3.349	10	0		AGAERN
Cc1cc(C)c(N)c(NC(C)(C)C)c1	238541787	573856322	/nfs/dbraw/zinc/85/63/22/573856322.db2.gz	PMHLJFNOIZPVMA-UHFFFAOYSA-N	0	0	192.306	3.096	10	0		AGAERN
Cc1ccc2scc(C)c2c1O	238541935	573856446	/nfs/dbraw/zinc/85/64/46/573856446.db2.gz	OSRONEXBRAWEGW-UHFFFAOYSA-N	0	0	178.256	3.224	10	0		AGAERN
CCCCC[C@H]1C[C@@H](C)CC[C@@H]1O	43660100	573856553	/nfs/dbraw/zinc/85/65/53/573856553.db2.gz	OJFSLIZBUVIQMZ-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@]12CCCC1=Cc1ccccc1N2	238541887	573856610	/nfs/dbraw/zinc/85/66/10/573856610.db2.gz	GTQZDUYFBXHVSO-ZDUSSCGKSA-N	0	0	185.270	3.438	10	0		AGAERN
CCCCC[C@@H]1C[C@@H](C)CC[C@@H]1O	43660098	573856620	/nfs/dbraw/zinc/85/66/20/573856620.db2.gz	OJFSLIZBUVIQMZ-TUAOUCFPSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1ccnc(C[C@H]2C=CCCC2)c1	238541766	573856694	/nfs/dbraw/zinc/85/66/94/573856694.db2.gz	LLXBJPLNRPBGSZ-LBPRGKRZSA-N	0	0	187.286	3.289	10	0		AGAERN
C[C@]12CCC[C@@H]1c1ccccc1N2	238542945	573856768	/nfs/dbraw/zinc/85/67/68/573856768.db2.gz	MMENPXDLPJALFM-PWSUYJOCSA-N	0	0	173.259	3.138	10	0		AGAERN
CSCC(C)(C)c1cccc(O)c1	258155664	573856772	/nfs/dbraw/zinc/85/67/72/573856772.db2.gz	SKCSWUNYYODFSP-UHFFFAOYSA-N	0	0	196.315	3.033	10	0		AGAERN
CCOC(=O)/C=C/C=C(/C)C(C)(C)C	308455840	573856850	/nfs/dbraw/zinc/85/68/50/573856850.db2.gz	RFRKETSIVFAMSF-ZWOQCJTASA-N	0	0	196.290	3.098	10	0		AGAERN
Cc1cc2c([C@H](C)O)cccc2s1	258157811	573856871	/nfs/dbraw/zinc/85/68/71/573856871.db2.gz	RKDAXNHXBBYFCI-QMMMGPOBSA-N	0	0	192.283	3.263	10	0		AGAERN
CC[C@H](CCC(C)(C)C)[C@@H](C)O	43657299	573856888	/nfs/dbraw/zinc/85/68/88/573856888.db2.gz	YXQFTLHFLMHBAQ-NXEZZACHSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCC[C@H]1C[C@H](CC)CC[C@@H]1O	43660619	573856910	/nfs/dbraw/zinc/85/69/10/573856910.db2.gz	BAHMWZAHEUTJNO-WOPDTQHZSA-N	0	0	184.323	3.364	10	0		AGAERN
CC/C(C)=C/CCCC(C)=O	197061800	573857039	/nfs/dbraw/zinc/85/70/39/573857039.db2.gz	KWJJPIJTVVWUFK-VQHVLOKHSA-N	0	0	154.253	3.102	10	0		AGAERN
CC[C@]1(C)CNc2cc(C)ccc2N1	87261685	573857050	/nfs/dbraw/zinc/85/70/50/573857050.db2.gz	DAQZJGXXFHWYTF-GFCCVEGCSA-N	0	0	190.290	3.001	10	0		AGAERN
CCC[C@@H]1CNc2cc(C)ccc2N1	87261437	573857762	/nfs/dbraw/zinc/85/77/62/573857762.db2.gz	TZUYCBWRKBOOIT-SNVBAGLBSA-N	0	0	190.290	3.001	10	0		AGAERN
CC(C)c1ccc(CC[C@@H](C)O)cc1	43656764	573857058	/nfs/dbraw/zinc/85/70/58/573857058.db2.gz	LKKYKONZJIFZBH-LLVKDONJSA-N	0	0	192.302	3.123	10	0		AGAERN
CC[C@@]1(C)CNc2cc(C)ccc2N1	87261686	573857159	/nfs/dbraw/zinc/85/71/59/573857159.db2.gz	DAQZJGXXFHWYTF-LBPRGKRZSA-N	0	0	190.290	3.001	10	0		AGAERN
C[C@H](O)[C@@H](C)CCCc1ccccc1	43658767	573857180	/nfs/dbraw/zinc/85/71/80/573857180.db2.gz	YAPAYSATUVHIIB-RYUDHWBXSA-N	0	0	192.302	3.026	10	0		AGAERN
CCC[C@H]1CNc2cc(C)ccc2N1	87261438	573857256	/nfs/dbraw/zinc/85/72/56/573857256.db2.gz	TZUYCBWRKBOOIT-JTQLQIEISA-N	0	0	190.290	3.001	10	0		AGAERN
C=CSc1cc(C)cc(C)c1O	238544133	573857319	/nfs/dbraw/zinc/85/73/19/573857319.db2.gz	ZJHASCQNGUIQOM-UHFFFAOYSA-N	0	0	180.272	3.245	10	0		AGAERN
COc1cccc2c1[C@H](C)C(C)(C)N2	258157974	573857358	/nfs/dbraw/zinc/85/73/58/573857358.db2.gz	LQFNCXAPJNGHKI-QMMMGPOBSA-N	0	0	191.274	3.003	10	0		AGAERN
CC[C@@H](O)CCc1cc(C)cc(C)c1	43657832	573857367	/nfs/dbraw/zinc/85/73/67/573857367.db2.gz	NLWPZRPRWCAGLO-CYBMUJFWSA-N	0	0	192.302	3.007	10	0		AGAERN
COc1cccc2c1[C@@H](C)C(C)(C)N2	258157971	573857401	/nfs/dbraw/zinc/85/74/01/573857401.db2.gz	LQFNCXAPJNGHKI-MRVPVSSYSA-N	0	0	191.274	3.003	10	0		AGAERN
CC(C)[C@H]1C[C@@H]1c1cscc1N	238169098	573857460	/nfs/dbraw/zinc/85/74/60/573857460.db2.gz	MLSCJVCCNXNCDU-SFYZADRCSA-N	0	0	181.304	3.090	10	0		AGAERN
C=Cc1[nH]c2ccccc2c1C	238544088	573857522	/nfs/dbraw/zinc/85/75/22/573857522.db2.gz	MOOKMOVHBREGMV-UHFFFAOYSA-N	0	0	157.216	3.119	10	0		AGAERN
CCCCCC[C@@H](O)C(C)(C)C	43657509	573857540	/nfs/dbraw/zinc/85/75/40/573857540.db2.gz	RQBGLGUNEJMISI-SNVBAGLBSA-N	0	0	172.312	3.364	10	0		AGAERN
CC(C)=C[C@@]1(C)CCCC(=O)C1	238167391	573857593	/nfs/dbraw/zinc/85/75/93/573857593.db2.gz	AVQWWHCBDAYTRX-LLVKDONJSA-N	0	0	166.264	3.102	10	0		AGAERN
CCCCC[C@H]1C[C@H](C)CC[C@@H]1O	43660096	573857661	/nfs/dbraw/zinc/85/76/61/573857661.db2.gz	OJFSLIZBUVIQMZ-WOPDTQHZSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCCCC[C@@H]1CCC[C@@H]1O	43655887	573858005	/nfs/dbraw/zinc/85/80/05/573858005.db2.gz	CLWLVNYKXTVNCD-MNOVXSKESA-N	0	0	170.296	3.118	10	0		AGAERN
CC(C)CCC[C@@H](O)C(C)(C)C	43657507	573860042	/nfs/dbraw/zinc/86/00/42/573860042.db2.gz	KXAZSYBPGWMQLP-SNVBAGLBSA-N	0	0	172.312	3.220	10	0		AGAERN
C[C@H](CNc1ccccc1)CC(F)F	688726912	573860076	/nfs/dbraw/zinc/86/00/76/573860076.db2.gz	LIYKLELTAFRYPO-VIFPVBQESA-N	0	0	199.244	3.390	10	0		AGAERN
CC(C)[C@H]1C[C@@H]1c1sccc1N	238169114	573858024	/nfs/dbraw/zinc/85/80/24/573858024.db2.gz	LYCXEGGZXXHAKG-SFYZADRCSA-N	0	0	181.304	3.090	10	0		AGAERN
CCCCCC[C@H](O)C(C)(C)C	43657508	573858154	/nfs/dbraw/zinc/85/81/54/573858154.db2.gz	RQBGLGUNEJMISI-JTQLQIEISA-N	0	0	172.312	3.364	10	0		AGAERN
CCCCC[C@@H]1C[C@H](C)CC[C@@H]1O	43660095	573858194	/nfs/dbraw/zinc/85/81/94/573858194.db2.gz	OJFSLIZBUVIQMZ-UTUOFQBUSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H](O)[C@H](C)CCCc1ccccc1	43658768	573858310	/nfs/dbraw/zinc/85/83/10/573858310.db2.gz	YAPAYSATUVHIIB-NEPJUHHUSA-N	0	0	192.302	3.026	10	0		AGAERN
Clc1ccccc1Oc1ncco1	257890234	573858372	/nfs/dbraw/zinc/85/83/72/573858372.db2.gz	MDNNUIWSCLZAOK-UHFFFAOYSA-N	0	0	195.605	3.120	10	0		AGAERN
CC(C)Nc1cc2cccnc2s1	238168200	573860815	/nfs/dbraw/zinc/86/08/15/573860815.db2.gz	CFBMUVVPRVTADO-UHFFFAOYSA-N	0	0	192.287	3.117	10	0		AGAERN
C[C@@H]1CC[C@](O)(C(C)(C)C)[C@H](C)C1	84375336	573860818	/nfs/dbraw/zinc/86/08/18/573860818.db2.gz	OHDZYCNJUDTCGW-CKYFFXLPSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H]1CCCC[C@]1(O)C(C)(C)C	84375271	573860888	/nfs/dbraw/zinc/86/08/88/573860888.db2.gz	GCLRSEPRSBNJPK-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H]1CCC[C@](O)(C2CC2)CC1	84375409	573860929	/nfs/dbraw/zinc/86/09/29/573860929.db2.gz	UBZHFRQDAUNJTD-CMPLNLGQSA-N	0	0	182.307	3.118	10	0		AGAERN
CC1(C)CCC[C@](O)(C2CC2)CC1	84375414	573861288	/nfs/dbraw/zinc/86/12/88/573861288.db2.gz	NYFQVKMTSCVYRO-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
Fc1ccnc(C2CCCCC2)c1	238546807	573861469	/nfs/dbraw/zinc/86/14/69/573861469.db2.gz	ZOWGQVPMAWBNKP-UHFFFAOYSA-N	0	0	179.238	3.268	10	0		AGAERN
Cc1ccnc2ccc3[nH]ccc3c12	238547954	573861479	/nfs/dbraw/zinc/86/14/79/573861479.db2.gz	HOIAXLYZXKNLSP-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
CC[C@H]1CCCC[C@@]1(O)C(C)(C)C	84375273	573861524	/nfs/dbraw/zinc/86/15/24/573861524.db2.gz	GCLRSEPRSBNJPK-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)=CC[C@@H]1CC[C@H](C)C[C@@H]1O	256273483	573864255	/nfs/dbraw/zinc/86/42/55/573864255.db2.gz	FIHIXQVGBCOAHP-TUAOUCFPSA-N	0	0	182.307	3.140	10	0		AGAERN
CC[C@H](O)[C@H](C)c1ccc(C)c(F)c1	87285453	573864274	/nfs/dbraw/zinc/86/42/74/573864274.db2.gz	ODMXHPHEURJJMB-SKDRFNHKSA-N	0	0	196.265	3.009	10	0		AGAERN
C[C@@H]1S[C@@H](C)c2ccccc2C1=O	125318122	573864323	/nfs/dbraw/zinc/86/43/23/573864323.db2.gz	KIOTWYIRPLXYGX-YUMQZZPRSA-N	0	0	192.283	3.066	10	0		AGAERN
CC(=O)[C@@H]1C[C@]1(C)CC(C)(C)C	238171731	573864378	/nfs/dbraw/zinc/86/43/78/573864378.db2.gz	SQCKVBBQZONHQP-GXSJLCMTSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1cc(CC(C)C)ccc1C=O	238172079	573864418	/nfs/dbraw/zinc/86/44/18/573864418.db2.gz	NKFGACMHJGFNFG-UHFFFAOYSA-N	0	0	176.259	3.006	10	0		AGAERN
Cc1cc(O)c(CC(C)C)cc1C	238170454	573864895	/nfs/dbraw/zinc/86/48/95/573864895.db2.gz	IRURWVRXTYNXBL-UHFFFAOYSA-N	0	0	178.275	3.208	10	0		AGAERN
CC(C)[C@H]1C[C@H]1c1sccc1N	238171375	573864463	/nfs/dbraw/zinc/86/44/63/573864463.db2.gz	LYCXEGGZXXHAKG-HTQZYQBOSA-N	0	0	181.304	3.090	10	0		AGAERN
Cc1c(Cl)cnc(C(F)F)c1C	238540165	573864606	/nfs/dbraw/zinc/86/46/06/573864606.db2.gz	PWNFLCZGGJJBFX-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
c1ccc(N[C@@H]2C[C@@H]3CC[C@H]2C3)cc1	101616801	573871022	/nfs/dbraw/zinc/87/10/22/573871022.db2.gz	SFCLMYIWOIJNAD-NTZNESFSSA-N	0	0	187.286	3.287	10	0		AGAERN
C[C@H](Nc1ccccc1)c1ccoc1	87289378	573871039	/nfs/dbraw/zinc/87/10/39/573871039.db2.gz	KDTWBZXVJUTDIE-JTQLQIEISA-N	0	0	187.242	3.453	10	0		AGAERN
C[C@H]1CC[C@](O)(C2=CCCCCC2)C1	235661192	573871211	/nfs/dbraw/zinc/87/12/11/573871211.db2.gz	HMWXFNWYQWNYEO-WCQYABFASA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@@H]1CC(C)(C)Nc2cccc(O)c21	258169547	573871253	/nfs/dbraw/zinc/87/12/53/573871253.db2.gz	MFGANDXKGNYRRI-MRVPVSSYSA-N	0	0	191.274	3.090	10	0		AGAERN
Nc1ccc(F)c2ccc(Cl)cc12	258169895	573871328	/nfs/dbraw/zinc/87/13/28/573871328.db2.gz	UFKQRJIEFADARN-UHFFFAOYSA-N	0	0	195.624	3.215	10	0		AGAERN
Cc1cscc1[C@@H](O)CC(C)C	87288144	573871466	/nfs/dbraw/zinc/87/14/66/573871466.db2.gz	LYKQYWUNIYLNDS-JTQLQIEISA-N	0	0	184.304	3.136	10	0		AGAERN
CC(=C=C1CCCC[C@@H]1O)C(C)(C)C	238163952	573871545	/nfs/dbraw/zinc/87/15/45/573871545.db2.gz	QBBKTDQBROSAKU-ACGXKRRESA-N	0	0	194.318	3.439	10	0		AGAERN
CC(C)(C)[C@@]1(C)C(=O)CC1(C)C	238164903	573871652	/nfs/dbraw/zinc/87/16/52/573871652.db2.gz	ICORYBFZCHSBND-LLVKDONJSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1ccc(C)c([C@@H]2C=CCC2)c1N	238550306	573871691	/nfs/dbraw/zinc/87/16/91/573871691.db2.gz	FXOXKDFZFQHEDV-LLVKDONJSA-N	0	0	187.286	3.319	10	0		AGAERN
Nc1ccc(F)c2c(Cl)cccc12	258169918	573871830	/nfs/dbraw/zinc/87/18/30/573871830.db2.gz	UFRWWGNXPQLUQK-UHFFFAOYSA-N	0	0	195.624	3.215	10	0		AGAERN
CC(=C=C1CCCC[C@H]1O)C(C)(C)C	238163972	573872227	/nfs/dbraw/zinc/87/22/27/573872227.db2.gz	QBBKTDQBROSAKU-FFFFSGIJSA-N	0	0	194.318	3.439	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1cscc1C	87288201	573872376	/nfs/dbraw/zinc/87/23/76/573872376.db2.gz	BHCSOWVXXZBQGK-XCBNKYQSSA-N	0	0	184.304	3.136	10	0		AGAERN
Cc1cscc1[C@@H](O)C1CCCC1	87288170	573872410	/nfs/dbraw/zinc/87/24/10/573872410.db2.gz	RAZCSONTOBTKLU-NSHDSACASA-N	0	0	196.315	3.280	10	0		AGAERN
Cc1c[nH]c2c(=S)ccccc12	238555715	573872605	/nfs/dbraw/zinc/87/26/05/573872605.db2.gz	HIDHNPBAEPAZHX-UHFFFAOYSA-N	0	0	175.256	3.206	10	0		AGAERN
C[C@@H](Nc1ccccc1)c1ccoc1	87289379	573872841	/nfs/dbraw/zinc/87/28/41/573872841.db2.gz	KDTWBZXVJUTDIE-SNVBAGLBSA-N	0	0	187.242	3.453	10	0		AGAERN
C[C@H](O)C[C@@H](C)c1ccccc1Cl	84400763	573872980	/nfs/dbraw/zinc/87/29/80/573872980.db2.gz	RLXVDQTVQYKAOY-BDAKNGLRSA-N	0	0	198.693	3.214	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1cscc1C	87288204	573873830	/nfs/dbraw/zinc/87/38/30/573873830.db2.gz	BHCSOWVXXZBQGK-OIBJUYFYSA-N	0	0	184.304	3.136	10	0		AGAERN
CC1(C)C[C@](C)(C(C)(C)C)C1=O	238164999	573874469	/nfs/dbraw/zinc/87/44/69/573874469.db2.gz	IDROSPKPDJEPLV-NSHDSACASA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1cc(C(F)(F)F)cs1	80015547	573874500	/nfs/dbraw/zinc/87/45/00/573874500.db2.gz	ARVINJROPBLCKO-UHFFFAOYSA-N	0	0	166.167	3.075	10	0		AGAERN
CC(C)=C[C@@H]1CC(=O)C12CCCC2	238163867	573874974	/nfs/dbraw/zinc/87/49/74/573874974.db2.gz	PNKJXFVGLSFKHY-SNVBAGLBSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)(C)CC[C@@]1(C)[C@@H](CO)C1(C)C	308460662	573875149	/nfs/dbraw/zinc/87/51/49/573875149.db2.gz	GEJJVHLHCPVNCD-GWCFXTLKSA-N	0	0	198.350	3.467	10	0		AGAERN
Cc1ccc(C(=O)C2(C)CCCC2)o1	87315820	573875227	/nfs/dbraw/zinc/87/52/27/573875227.db2.gz	JCNDPIOMXUQOHV-UHFFFAOYSA-N	0	0	192.258	3.351	10	0		AGAERN
Nc1c(F)cccc1C1CCCC1	259575830	573875433	/nfs/dbraw/zinc/87/54/33/573875433.db2.gz	YFJKHLCCYIPOAV-UHFFFAOYSA-N	0	0	179.238	3.066	10	0		AGAERN
CC(=C/CO)/C=C/C1CCCCC1	238165112	573875458	/nfs/dbraw/zinc/87/54/58/573875458.db2.gz	SAPHLGSACAOQRS-OHFYBLQUSA-N	0	0	180.291	3.062	10	0		AGAERN
C[C@H]1Cc2ccc(F)cc2NC1(C)C	258169629	573875470	/nfs/dbraw/zinc/87/54/70/573875470.db2.gz	MFVGQJUWUUMBSO-QMMMGPOBSA-N	0	0	193.265	3.208	10	0		AGAERN
CC1(C(=O)c2ccccc2)CCCC1	87315742	573877165	/nfs/dbraw/zinc/87/71/65/573877165.db2.gz	VPQYFDCIAVDTDW-UHFFFAOYSA-N	0	0	188.270	3.450	10	0		AGAERN
CC(C)(C)CC[C@]1(C)[C@@H](CO)C1(C)C	308460663	573877349	/nfs/dbraw/zinc/87/73/49/573877349.db2.gz	GEJJVHLHCPVNCD-GXFFZTMASA-N	0	0	198.350	3.467	10	0		AGAERN
Clc1nc(-c2ccoc2)cs1	87307593	573877445	/nfs/dbraw/zinc/87/74/45/573877445.db2.gz	IVTIDHIMXJMHJC-UHFFFAOYSA-N	0	0	185.635	3.057	10	0		AGAERN
Cc1ccc(C(C)C)cc1C1(O)CC1	258171076	573877768	/nfs/dbraw/zinc/87/77/68/573877768.db2.gz	VUULKLZFNBOQDX-UHFFFAOYSA-N	0	0	190.286	3.100	10	0		AGAERN
CC1(C(=O)c2ccco2)CCCC1	87315814	573877822	/nfs/dbraw/zinc/87/78/22/573877822.db2.gz	RTOPLNKFIJSPHU-UHFFFAOYSA-N	0	0	178.231	3.043	10	0		AGAERN
CCc1ccsc1Cn1cccc1	87311275	573877980	/nfs/dbraw/zinc/87/79/80/573877980.db2.gz	GJKQRHRZFNWIBB-UHFFFAOYSA-N	0	0	191.299	3.160	10	0		AGAERN
CCc1nc2cc(C)c(C)cc2s1	197721054	573877992	/nfs/dbraw/zinc/87/79/92/573877992.db2.gz	DSPVLSRIKRKVOZ-UHFFFAOYSA-N	0	0	191.299	3.476	10	0		AGAERN
Clc1cc2c(cn1)CCCCC2	238553666	573879692	/nfs/dbraw/zinc/87/96/92/573879692.db2.gz	IUFAURVASGVIME-UHFFFAOYSA-N	0	0	181.666	3.004	10	0		AGAERN
CCC1([C@@H](O)c2cc[nH]c2)CCCC1	87318405	573879860	/nfs/dbraw/zinc/87/98/60/573879860.db2.gz	XIFGBVSJCPBNFE-NSHDSACASA-N	0	0	193.290	3.019	10	0		AGAERN
CC[C@H]1C[C@@]1(O)C1(CC)CCCC1	87329797	573880466	/nfs/dbraw/zinc/88/04/66/573880466.db2.gz	XRZKDAZKHAAEPH-JQWIXIFHSA-N	0	0	182.307	3.118	10	0		AGAERN
C=Cc1sc(C(C)C)nc1C	238178888	573880471	/nfs/dbraw/zinc/88/04/71/573880471.db2.gz	OBXNGBMYMCSFJA-UHFFFAOYSA-N	0	0	167.277	3.218	10	0		AGAERN
Cc1c[nH]c2c(C)cc(Cl)cc12	238556048	573880529	/nfs/dbraw/zinc/88/05/29/573880529.db2.gz	QDCQCMGCYABSQS-UHFFFAOYSA-N	0	0	179.650	3.438	10	0		AGAERN
CCSc1ccc(O)c(Cl)c1	80137049	573880610	/nfs/dbraw/zinc/88/06/10/573880610.db2.gz	VFCKRLZXSCCNAA-UHFFFAOYSA-N	0	0	188.679	3.158	10	0		AGAERN
CCC1([C@@H](O)C2=CCCC2)CCCC1	87318375	573880656	/nfs/dbraw/zinc/88/06/56/573880656.db2.gz	OTBIYNDZIFEOCK-LBPRGKRZSA-N	0	0	194.318	3.428	10	0		AGAERN
CC[C@@H]1C[C@]1(O)C1(CC)CCCC1	87329789	573880667	/nfs/dbraw/zinc/88/06/67/573880667.db2.gz	XRZKDAZKHAAEPH-ZYHUDNBSSA-N	0	0	182.307	3.118	10	0		AGAERN
CC1([C@@H](O)C2=CCCCC2)CCCC1	87318367	573880909	/nfs/dbraw/zinc/88/09/09/573880909.db2.gz	RKXZNFXVUOBQHF-LBPRGKRZSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)CC1(C2(O)CC2)CCCC1	87319093	573880925	/nfs/dbraw/zinc/88/09/25/573880925.db2.gz	RXPSBNVWEWDTAJ-UHFFFAOYSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(=O)C1(CC(C)C)CCCC1	87330913	573881096	/nfs/dbraw/zinc/88/10/96/573881096.db2.gz	FTDMDEJCTQOOHV-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1ccc(-c2[nH]ccc2C)cc1	80227548	573883867	/nfs/dbraw/zinc/88/38/67/573883867.db2.gz	UITMRIIDORSOBY-UHFFFAOYSA-N	0	0	171.243	3.299	10	0		AGAERN
CCC(=O)CCCc1ccc(C)cc1	41205046	573883266	/nfs/dbraw/zinc/88/32/66/573883266.db2.gz	KZYNICDKRQKBTR-UHFFFAOYSA-N	0	0	190.286	3.297	10	0		AGAERN
CCC(=O)CCc1ccc(C)cc1C	41205064	573883387	/nfs/dbraw/zinc/88/33/87/573883387.db2.gz	GCFJDOWDZGUJPK-UHFFFAOYSA-N	0	0	190.286	3.215	10	0		AGAERN
CCC(=O)[C@@H](C)Cc1ccccc1C	41205050	573883399	/nfs/dbraw/zinc/88/33/99/573883399.db2.gz	DNDWIXGWHAQUJE-NSHDSACASA-N	0	0	190.286	3.153	10	0		AGAERN
CCC1([C@@H](O)c2ccc[nH]2)CCCC1	87318394	573883518	/nfs/dbraw/zinc/88/35/18/573883518.db2.gz	JYYLZQYPYFGBNA-NSHDSACASA-N	0	0	193.290	3.019	10	0		AGAERN
CC(=O)[C@@H]1C=CCC[C@@H]1C(C)(C)C	205586516	573883548	/nfs/dbraw/zinc/88/35/48/573883548.db2.gz	IEQHGUPCNZAEDS-QWRGUYRKSA-N	0	0	180.291	3.204	10	0		AGAERN
C=CC1=C([C@@H](O)C(C)(C)C)CCCC1	238178818	573883558	/nfs/dbraw/zinc/88/35/58/573883558.db2.gz	RPYAYYLTJOJPIZ-GFCCVEGCSA-N	0	0	194.318	3.450	10	0		AGAERN
CC(C)CC1([C@]2(O)C[C@H]2C)CCCC1	87319103	573883702	/nfs/dbraw/zinc/88/37/02/573883702.db2.gz	JJDXKYVYJTWZFK-YPMHNXCESA-N	0	0	196.334	3.364	10	0		AGAERN
CC1([C@H](O)c2cccs2)CCCC1	87318281	573883768	/nfs/dbraw/zinc/88/37/68/573883768.db2.gz	AQMCMKQEKBIOLY-SNVBAGLBSA-N	0	0	196.315	3.362	10	0		AGAERN
CCC1([C@H](O)c2cc[nH]c2)CCCC1	87318403	573883829	/nfs/dbraw/zinc/88/38/29/573883829.db2.gz	XIFGBVSJCPBNFE-LLVKDONJSA-N	0	0	193.290	3.019	10	0		AGAERN
CC1=C[C@@H]2CCCC(=O)[C@]2(C)CC1	238178493	573883841	/nfs/dbraw/zinc/88/38/41/573883841.db2.gz	IEALSWNFTVEXSZ-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
COCc1coc2ccc(Cl)cc12	257893397	573885338	/nfs/dbraw/zinc/88/53/38/573885338.db2.gz	ADZSJNKGTGPDIR-UHFFFAOYSA-N	0	0	196.633	3.233	10	0		AGAERN
Cc1csc2c(Cl)c(N)ccc12	238554639	573885391	/nfs/dbraw/zinc/88/53/91/573885391.db2.gz	YSUQYXRPPQYXEI-UHFFFAOYSA-N	0	0	197.690	3.445	10	0		AGAERN
CCC(=O)[C@@H](C)Cc1cccc(C)c1	41205052	573885548	/nfs/dbraw/zinc/88/55/48/573885548.db2.gz	YTRVSPNAMAZUBG-NSHDSACASA-N	0	0	190.286	3.153	10	0		AGAERN
Cc1csc2c(C=O)cccc12	238554205	573885698	/nfs/dbraw/zinc/88/56/98/573885698.db2.gz	HPYJFJPGIJQGIY-UHFFFAOYSA-N	0	0	176.240	3.022	10	0		AGAERN
CCC(=O)CCCc1cccc(C)c1	41205044	573885764	/nfs/dbraw/zinc/88/57/64/573885764.db2.gz	AGCJNDJXAQDZAH-UHFFFAOYSA-N	0	0	190.286	3.297	10	0		AGAERN
Cc1ccc(-c2c[nH]cc2F)cc1	238554861	573885788	/nfs/dbraw/zinc/88/57/88/573885788.db2.gz	OKHDADKLERZHJL-UHFFFAOYSA-N	0	0	175.206	3.129	10	0		AGAERN
CCC[C@@H](C)[C@@H](O)c1cc(C)oc1C	233282152	573885849	/nfs/dbraw/zinc/88/58/49/573885849.db2.gz	YMZQXQZGECSMGR-PRHODGIISA-N	0	0	196.290	3.366	10	0		AGAERN
CCC[C@@H](C)Oc1cccc(C)c1N	233282159	573885882	/nfs/dbraw/zinc/88/58/82/573885882.db2.gz	CQXMJLHZHBYDTH-SNVBAGLBSA-N	0	0	193.290	3.145	10	0		AGAERN
Cc1csc2c(Cl)ccc(N)c12	238554919	573885913	/nfs/dbraw/zinc/88/59/13/573885913.db2.gz	VMIITKQZWJNQIY-UHFFFAOYSA-N	0	0	197.690	3.445	10	0		AGAERN
CC(C)CCC(=O)c1ccccc1F	41206655	573890032	/nfs/dbraw/zinc/89/00/32/573890032.db2.gz	RAHPXPQKTSRHDZ-UHFFFAOYSA-N	0	0	194.249	3.445	10	0		AGAERN
CC[C@@H](C)[C@H]1CCCCCC1=O	76596802	573889498	/nfs/dbraw/zinc/88/94/98/573889498.db2.gz	YLAKIJTZPUQZFR-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@H](C)[C@@H]1CCCCCC1=O	76596800	573889506	/nfs/dbraw/zinc/88/95/06/573889506.db2.gz	YLAKIJTZPUQZFR-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC1(C)C=CC=C[C@@H]1[C@@H](O)C(C)(C)C	238180907	573889694	/nfs/dbraw/zinc/88/96/94/573889694.db2.gz	FCMNYBQTFPNDOV-GHMZBOCLSA-N	0	0	194.318	3.162	10	0		AGAERN
CC1=C[C@]2(C)C(=O)CCCC[C@@H]2C1	238181036	573889795	/nfs/dbraw/zinc/88/97/95/573889795.db2.gz	NTUHSEDVDAMQNS-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@H](C)Cc1nc2ccccc2o1	102159230	573889835	/nfs/dbraw/zinc/88/98/35/573889835.db2.gz	SJDPBEXXJWTDPZ-VIFPVBQESA-N	0	0	189.258	3.416	10	0		AGAERN
CCC[C@H](CO)c1ccc(F)c(C)c1	41207365	573893181	/nfs/dbraw/zinc/89/31/81/573893181.db2.gz	ZSCUEROXMKHWOQ-LLVKDONJSA-N	0	0	196.265	3.010	10	0		AGAERN
CC1=C[C@H]([C@@H](O)c2ccccc2)CC1	238182360	573893182	/nfs/dbraw/zinc/89/31/82/573893182.db2.gz	BFLZUVHBONYVCV-OLZOCXBDSA-N	0	0	188.270	3.076	10	0		AGAERN
Cc1c(F)cnc2c(Cl)cccc12	257893995	573893240	/nfs/dbraw/zinc/89/32/40/573893240.db2.gz	XTGIYPYDRRSXMB-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
Cc1cnoc1-c1ccc(Cl)cc1	102159660	573893327	/nfs/dbraw/zinc/89/33/27/573893327.db2.gz	GEBHYWQXUCYZPX-UHFFFAOYSA-N	0	0	193.633	3.303	10	0		AGAERN
C=Cc1cc2cc(Cl)ccc2[nH]1	144956857	573893566	/nfs/dbraw/zinc/89/35/66/573893566.db2.gz	ZMYKKZDPZWVDGK-UHFFFAOYSA-N	0	0	177.634	3.464	10	0		AGAERN
CC(C)(C)[C@H](O)/C=C/c1cccs1	238181238	573893719	/nfs/dbraw/zinc/89/37/19/573893719.db2.gz	ZXPWBDLFXDNMLX-VQCYPWCPSA-N	0	0	196.315	3.168	10	0		AGAERN
CC1=C[C@]2(C)C(=O)CCCC[C@H]2C1	238181011	573893764	/nfs/dbraw/zinc/89/37/64/573893764.db2.gz	NTUHSEDVDAMQNS-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1=CC(C)=N[C@]1(C)c1ccccc1	197113426	573893807	/nfs/dbraw/zinc/89/38/07/573893807.db2.gz	LPKOIWVGGLDBBI-ZDUSSCGKSA-N	0	0	185.270	3.323	10	0		AGAERN
CC(C)=Cc1cc(F)ccc1C=O	238173854	573895276	/nfs/dbraw/zinc/89/52/76/573895276.db2.gz	ZNWMUYIWHUKWFO-UHFFFAOYSA-N	0	0	178.206	3.061	10	0		AGAERN
CC1=CC[C@]2(C)CCC(=O)[C@@H]2CC1	238174506	573895398	/nfs/dbraw/zinc/89/53/98/573895398.db2.gz	FGKCLDNPKCXGJU-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1=CC[C@]2(C)CCC(=O)C[C@@H]2C1	238174453	573896767	/nfs/dbraw/zinc/89/67/67/573896767.db2.gz	WQQXXEBAWLQFJT-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1(C)C=Nc2ccc(Cl)cc2N1	238173926	573895854	/nfs/dbraw/zinc/89/58/54/573895854.db2.gz	AQMZOVJSANKUFV-UHFFFAOYSA-N	0	0	194.665	3.246	10	0		AGAERN
CC(=O)Nc1ccsc1C=C(C)C	238174881	573895962	/nfs/dbraw/zinc/89/59/62/573895962.db2.gz	SCWVQFXHDSNTKC-UHFFFAOYSA-N	0	0	195.287	3.130	10	0		AGAERN
Cc1cc([C@](C)(O)C2(C)CC2)cs1	87365477	573896013	/nfs/dbraw/zinc/89/60/13/573896013.db2.gz	NKJWWVDWDMTDNL-NSHDSACASA-N	0	0	196.315	3.064	10	0		AGAERN
CC1=CC[C@]2(C)CCC(=O)[C@H]2CC1	238174522	573896367	/nfs/dbraw/zinc/89/63/67/573896367.db2.gz	FGKCLDNPKCXGJU-ZYHUDNBSSA-N	0	0	178.275	3.102	10	0		AGAERN
CCOCc1cc2cccc(F)c2o1	257901795	573896664	/nfs/dbraw/zinc/89/66/64/573896664.db2.gz	ODTVTBLZDKESMG-UHFFFAOYSA-N	0	0	194.205	3.108	10	0		AGAERN
Cc1cccc2c1NCCC(C)(C)N2	235764779	573897780	/nfs/dbraw/zinc/89/77/80/573897780.db2.gz	DIVIICJLKQEMQL-UHFFFAOYSA-N	0	0	190.290	3.001	10	0		AGAERN
C[C@@H]1CC[C@@](O)(C2CCCCC2)C1	80471612	573897879	/nfs/dbraw/zinc/89/78/79/573897879.db2.gz	QAUMDPDKMVDXHZ-PWSUYJOCSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@@H]1CCC[C@H]([C@](C)(O)C2(C)CC2)C1	87366063	573897915	/nfs/dbraw/zinc/89/79/15/573897915.db2.gz	XPYDFQOXVZNWJX-MDZLAQPJSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(=O)[C@@H]1CCCC2=C(CCC2)C1	238174813	573897965	/nfs/dbraw/zinc/89/79/65/573897965.db2.gz	RYIHZSPCNREVDV-LLVKDONJSA-N	0	0	178.275	3.246	10	0		AGAERN
CC1([C@@](C)(O)C2CCCCC2)CC1	87365781	573898155	/nfs/dbraw/zinc/89/81/55/573898155.db2.gz	JOIOFWYIQMRDEU-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(C)C(=O)c1coc2ccccc12	84450932	573898415	/nfs/dbraw/zinc/89/84/15/573898415.db2.gz	XLJUODYMAHWPAU-UHFFFAOYSA-N	0	0	188.226	3.272	10	0		AGAERN
C[C@H]1CC[C@@](O)(C2CCCCC2)C1	80471617	573898426	/nfs/dbraw/zinc/89/84/26/573898426.db2.gz	QAUMDPDKMVDXHZ-JQWIXIFHSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1cccc(C)c1C(=O)CC1CC1	235763676	573898527	/nfs/dbraw/zinc/89/85/27/573898527.db2.gz	RWFMCMDQPBLJJN-UHFFFAOYSA-N	0	0	188.270	3.286	10	0		AGAERN
Cc1ccc2c3c(cccc13)CC2	102281025	573898597	/nfs/dbraw/zinc/89/85/97/573898597.db2.gz	DCLKPYUQMXQPHZ-UHFFFAOYSA-N	0	0	168.239	3.247	10	0		AGAERN
Cc1ccsc1[C@](C)(O)C1(C)CC1	87365886	573900327	/nfs/dbraw/zinc/90/03/27/573900327.db2.gz	UZZWFZKXXMLRPP-NSHDSACASA-N	0	0	196.315	3.064	10	0		AGAERN
CCC(F)(F)c1cccc(C)c1	258991848	573900511	/nfs/dbraw/zinc/90/05/11/573900511.db2.gz	LHCWTSPYBPLCRK-UHFFFAOYSA-N	0	0	170.202	3.497	10	0		AGAERN
CC1([C@](C)(O)C2CCCCC2)CC1	87365779	573900704	/nfs/dbraw/zinc/90/07/04/573900704.db2.gz	JOIOFWYIQMRDEU-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
CC1(C(=O)c2ccccc2)CCC1	238190518	573902370	/nfs/dbraw/zinc/90/23/70/573902370.db2.gz	JIKQZXKNRGGYBT-UHFFFAOYSA-N	0	0	174.243	3.060	10	0		AGAERN
CCc1ccc(NCCSC)cc1	41580147	573904559	/nfs/dbraw/zinc/90/45/59/573904559.db2.gz	ZUGBMASMGOXJME-UHFFFAOYSA-N	0	0	195.331	3.024	10	0		AGAERN
CCCCC1=C2CCC[C@]2(C)C[C@@H]1O	222781816	573904945	/nfs/dbraw/zinc/90/49/45/573904945.db2.gz	SDZCLKSBPYCTMP-QWHCGFSZSA-N	0	0	194.318	3.428	10	0		AGAERN
CC1(C)CCC(=O)C(C)(C)CC1	238193138	573906213	/nfs/dbraw/zinc/90/62/13/573906213.db2.gz	QTBOXTMOTSLRHM-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCCC1=C2CCC[C@@]2(C)C[C@@H]1O	222781867	573906512	/nfs/dbraw/zinc/90/65/12/573906512.db2.gz	SDZCLKSBPYCTMP-STQMWFEESA-N	0	0	194.318	3.428	10	0		AGAERN
Cc1c(F)cnc2cc(Cl)ccc12	257904168	573906610	/nfs/dbraw/zinc/90/66/10/573906610.db2.gz	ZFIQSVRMKWDYIV-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
C[C@H](O)/C=C\c1ccc2ccccc2c1	308779815	573906629	/nfs/dbraw/zinc/90/66/29/573906629.db2.gz	NKJDVTPVPUZVCK-ZADCQDASSA-N	0	0	198.265	3.234	10	0		AGAERN
CC1=Nc2cc(O)ccc2C(C)(C)C1	238194989	573908446	/nfs/dbraw/zinc/90/84/46/573908446.db2.gz	JJKILAWPLQJAEJ-UHFFFAOYSA-N	0	0	189.258	3.166	10	0		AGAERN
C/C=C\[C@H](O)c1cccc2ccccc12	308780209	573909089	/nfs/dbraw/zinc/90/90/89/573909089.db2.gz	SCYXUYQIFHLPNM-OLVMAOTFSA-N	0	0	198.265	3.449	10	0		AGAERN
CC(C)Cc1cc2ccccn2c1	238183223	573910413	/nfs/dbraw/zinc/91/04/13/573910413.db2.gz	MJMWVGRUDNVUCN-UHFFFAOYSA-N	0	0	173.259	3.138	10	0		AGAERN
CC1C[C@@H](C)CC(=O)C[C@H](C)C1	238183394	573910477	/nfs/dbraw/zinc/91/04/77/573910477.db2.gz	QVFXQQCPXFRTRP-NXEZZACHSA-N	0	0	168.280	3.038	10	0		AGAERN
C/C(Cl)=C\C[C@@H](O)c1ccccc1	393570054	573910529	/nfs/dbraw/zinc/91/05/29/573910529.db2.gz	UWXYQABETKXMNC-MXMFLMJRSA-N	0	0	196.677	3.253	10	0		AGAERN
CC1=C[C@H]2CCCCC(=O)[C@@]2(C)C1	238183469	573910893	/nfs/dbraw/zinc/91/08/93/573910893.db2.gz	UNSJKCKECGSZJJ-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
c1cc(-c2ccc3c(c2)CCCC3)on1	259228951	573911180	/nfs/dbraw/zinc/91/11/80/573911180.db2.gz	MHBVJOVBVPPAKZ-UHFFFAOYSA-N	0	0	199.253	3.220	10	0		AGAERN
C[C@@H](O)c1coc2c(Cl)cccc12	257896424	573911339	/nfs/dbraw/zinc/91/13/39/573911339.db2.gz	LVJTYODMOBMWHY-ZCFIWIBFSA-N	0	0	196.633	3.140	10	0		AGAERN
Cc1ccc(CSC(C)C)c(O)c1	258179616	573911409	/nfs/dbraw/zinc/91/14/09/573911409.db2.gz	SJBANQIGWLOOFF-UHFFFAOYSA-N	0	0	196.315	3.342	10	0		AGAERN
Nc1cc(F)ccc1C1CCCC1	259580877	573911467	/nfs/dbraw/zinc/91/14/67/573911467.db2.gz	YSKCWPBFTGATFX-UHFFFAOYSA-N	0	0	179.238	3.066	10	0		AGAERN
Cc1[nH]c2ccccc2c1NC(C)C	76633233	573911482	/nfs/dbraw/zinc/91/14/82/573911482.db2.gz	DRJCTBFKHGUSTH-UHFFFAOYSA-N	0	0	188.274	3.297	10	0		AGAERN
Cc1ccc(C)c(Cn2cccc2)c1	84728314	573912872	/nfs/dbraw/zinc/91/28/72/573912872.db2.gz	AQVFHVDSEVCROM-UHFFFAOYSA-N	0	0	185.270	3.153	10	0		AGAERN
Clc1ccc(Cn2cccc2)s1	84728324	573913129	/nfs/dbraw/zinc/91/31/29/573913129.db2.gz	MAPZIQYFUOZEQF-UHFFFAOYSA-N	0	0	197.690	3.251	10	0		AGAERN
Nc1occc1-c1ccc(Cl)cc1	258179568	573913181	/nfs/dbraw/zinc/91/31/81/573913181.db2.gz	SIOPRTXENYAMHF-UHFFFAOYSA-N	0	0	193.633	3.182	10	0		AGAERN
CCC[C@@H](C)[C@](C)(O)CC1CCC1	233283777	573916537	/nfs/dbraw/zinc/91/65/37/573916537.db2.gz	FJYZYJLKJOPDIC-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(=O)c1cccc(C(C)(C)CF)c1	257899436	573916994	/nfs/dbraw/zinc/91/69/94/573916994.db2.gz	YNHQXRNJHKPUKU-UHFFFAOYSA-N	0	0	194.249	3.136	10	0		AGAERN
CCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1O	84837285	573917154	/nfs/dbraw/zinc/91/71/54/573917154.db2.gz	XCMYAJBROXWHCX-MXWKQRLJSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(=O)c1cccc2c1SC[C@H]2C	257898740	573918480	/nfs/dbraw/zinc/91/84/80/573918480.db2.gz	AJSVDNHYLXHEPY-SSDOTTSWSA-N	0	0	192.283	3.098	10	0		AGAERN
CCC[C@H](O)C1C[C@@H](C)C[C@H](C)C1	84836682	573918758	/nfs/dbraw/zinc/91/87/58/573918758.db2.gz	QHMWKRQRIJZUQV-NHCYSSNCSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(=O)[C@]12CCC=C[C@H]1CCCC2	238186260	573918838	/nfs/dbraw/zinc/91/88/38/573918838.db2.gz	NDICDAHAVIELOM-NWDGAFQWSA-N	0	0	178.275	3.102	10	0		AGAERN
C=C=C(CC)[C@H](O)c1ccc(C)cc1	238185829	573920276	/nfs/dbraw/zinc/92/02/76/573920276.db2.gz	LYQRXHGZJDWWEY-ZDUSSCGKSA-N	0	0	188.270	3.150	10	0		AGAERN
CC(C)c1c[nH]c(=S)n1[C@H]1C[C@H]1C	84859782	573920341	/nfs/dbraw/zinc/92/03/41/573920341.db2.gz	MQLZFULQHWECJR-SFYZADRCSA-N	0	0	196.319	3.250	10	0		AGAERN
CC1=C[C@@]2(CC=C1)CCCCC2=O	238185605	573920499	/nfs/dbraw/zinc/92/04/99/573920499.db2.gz	DUQJEFWNJNBCEE-LBPRGKRZSA-N	0	0	176.259	3.022	10	0		AGAERN
C[C@@H]1[C@@H](O)CC[C@@H]1CCC(C)(C)C	84876542	573920866	/nfs/dbraw/zinc/92/08/66/573920866.db2.gz	COZARAVSJPNLOF-AXFHLTTASA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@H]1C(=O)CC[C@@H]1CCC(C)(C)C	84870093	573920923	/nfs/dbraw/zinc/92/09/23/573920923.db2.gz	APDFMOFVNYEHGU-NXEZZACHSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)[C@@]12CCCC[C@@H]1CC=C2C	238186300	573921010	/nfs/dbraw/zinc/92/10/10/573921010.db2.gz	VLGNHMKAXICJGU-NEPJUHHUSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@H]1C(=O)CC[C@H]1SC1CCCC1	84869977	573921042	/nfs/dbraw/zinc/92/10/42/573921042.db2.gz	ZBOCZEYNMUDUJI-GZMMTYOYSA-N	0	0	198.331	3.030	10	0		AGAERN
CC(F)(F)c1c[nH]c2ccccc12	259005094	573921064	/nfs/dbraw/zinc/92/10/64/573921064.db2.gz	NJCCISKXKMFIPK-UHFFFAOYSA-N	0	0	181.185	3.280	10	0		AGAERN
O=C(CCC1CC1)C(C1CC1)C1CC1	308463827	573922084	/nfs/dbraw/zinc/92/20/84/573922084.db2.gz	HBZLNSMHFMGVMJ-UHFFFAOYSA-N	0	0	192.302	3.182	10	0		AGAERN
CC=C=C(CC)[C@@H](O)C1CCCCC1	238186533	573922187	/nfs/dbraw/zinc/92/21/87/573922187.db2.gz	QJEUMGHQOQVHOJ-AZMWARKLSA-N	0	0	194.318	3.439	10	0		AGAERN
C=C=C(CC)[C@@H](O)c1ccc(C)cc1	238185756	573922215	/nfs/dbraw/zinc/92/22/15/573922215.db2.gz	LYQRXHGZJDWWEY-CYBMUJFWSA-N	0	0	188.270	3.150	10	0		AGAERN
CC1CCC(C(=O)C2CCC2)CC1	84888087	573922326	/nfs/dbraw/zinc/92/23/26/573922326.db2.gz	LPKDABOTRANSNT-UHFFFAOYSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@]1(C)Nc2ccccc2C[C@@H]1C	258182175	573922572	/nfs/dbraw/zinc/92/25/72/573922572.db2.gz	MXRJLOGUYKHSCX-GWCFXTLKSA-N	0	0	189.302	3.459	10	0		AGAERN
FC(F)c1cc2ccccc2cn1	223577311	573922758	/nfs/dbraw/zinc/92/27/58/573922758.db2.gz	NNTWZHHDSNYEQG-UHFFFAOYSA-N	0	0	179.169	3.172	10	0		AGAERN
C[C@H]1C[C@@H](C(=O)C2CCC2)CC[C@H]1C	84888070	573923497	/nfs/dbraw/zinc/92/34/97/573923497.db2.gz	DQLQLCHGCFDGQC-SCVCMEIPSA-N	0	0	194.318	3.428	10	0		AGAERN
CCC1([C@H](O)c2ccccc2)CCC1	238198472	573923498	/nfs/dbraw/zinc/92/34/98/573923498.db2.gz	QUXMUWILFVQTJP-GFCCVEGCSA-N	0	0	190.286	3.300	10	0		AGAERN
CCC(F)(F)c1ccc(C)o1	259012868	573923677	/nfs/dbraw/zinc/92/36/77/573923677.db2.gz	OJMMRHACNPUAOV-UHFFFAOYSA-N	0	0	160.163	3.090	10	0		AGAERN
C/C(=C\c1cc(C)cc(Cl)c1)CO	395262255	573923800	/nfs/dbraw/zinc/92/38/00/573923800.db2.gz	JOBAWTHRDKFMHZ-RUDMXATFSA-N	0	0	196.677	3.044	10	0		AGAERN
CCOCc1coc2cc(C)ccc12	257900517	573923881	/nfs/dbraw/zinc/92/38/81/573923881.db2.gz	OBJUGFWMIRVQHY-UHFFFAOYSA-N	0	0	190.242	3.278	10	0		AGAERN
C[C@H]1C[C@H](C(=O)C2CCC2)CC[C@H]1C	84888075	573923999	/nfs/dbraw/zinc/92/39/99/573923999.db2.gz	DQLQLCHGCFDGQC-JFGNBEQYSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@@H]1C(=O)CC[C@@H]1CCC(C)(C)C	84870094	573924066	/nfs/dbraw/zinc/92/40/66/573924066.db2.gz	APDFMOFVNYEHGU-VHSXEESVSA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@H]1C(=O)CC[C@H]1CCC(C)(C)C	84870091	573924089	/nfs/dbraw/zinc/92/40/89/573924089.db2.gz	APDFMOFVNYEHGU-ZJUUUORDSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC1=C(c2ccccc2)C[C@H](O)C1	238200196	573929964	/nfs/dbraw/zinc/92/99/64/573929964.db2.gz	UPZVKXBTLZCPDY-GFCCVEGCSA-N	0	0	188.270	3.005	10	0		AGAERN
CCCC1=C(CC)[C@@H](O)C[C@@H](C)C1	238200302	573929972	/nfs/dbraw/zinc/92/99/72/573929972.db2.gz	QPMBKXSGLYAYSS-CABZTGNLSA-N	0	0	182.307	3.284	10	0		AGAERN
CCC1=C2CCCCC[C@@H]2CC[C@@H]1O	238200353	573930245	/nfs/dbraw/zinc/93/02/45/573930245.db2.gz	CDNZLPQASPMZQG-MFKMUULPSA-N	0	0	194.318	3.428	10	0		AGAERN
CCC1=C(c2ccccc2)C[C@@H](O)C1	238200180	573930267	/nfs/dbraw/zinc/93/02/67/573930267.db2.gz	UPZVKXBTLZCPDY-LBPRGKRZSA-N	0	0	188.270	3.005	10	0		AGAERN
Cc1ccc(NC[C@H](C)C(C)C)nc1	81070278	573930275	/nfs/dbraw/zinc/93/02/75/573930275.db2.gz	HNRBMJRKPQFCMU-NSHDSACASA-N	0	0	192.306	3.094	10	0		AGAERN
C/C(CO)=C(/C)CCCC(C)C	215475119	573930289	/nfs/dbraw/zinc/93/02/89/573930289.db2.gz	KVCULLJCMMHCGS-ZHACJKMWSA-N	0	0	170.296	3.141	10	0		AGAERN
Cc1ccc(Cl)c([C@H](C)CO)c1C	258182894	573930372	/nfs/dbraw/zinc/93/03/72/573930372.db2.gz	QYUAIPNYNUVDNI-MRVPVSSYSA-N	0	0	198.693	3.053	10	0		AGAERN
Nc1ccc(C(F)(F)C2CCC2)cc1	259015963	573930382	/nfs/dbraw/zinc/93/03/82/573930382.db2.gz	OXRUTHMVHMOPBS-UHFFFAOYSA-N	0	0	197.228	3.161	10	0		AGAERN
CC1(C)CC(=C2CCCCC2)[C@@H]1O	238198650	573930407	/nfs/dbraw/zinc/93/04/07/573930407.db2.gz	COMOZCOOMDRPGJ-NSHDSACASA-N	0	0	180.291	3.038	10	0		AGAERN
Cc1sccc1[C@@H](O)[C@H]1CC1(C)C	235815737	573931936	/nfs/dbraw/zinc/93/19/36/573931936.db2.gz	HLEPQERDKWUQTC-NXEZZACHSA-N	0	0	196.315	3.136	10	0		AGAERN
CC1(C)C=C2CCCCC[C@@H]2C1=O	238196972	573932460	/nfs/dbraw/zinc/93/24/60/573932460.db2.gz	DRVQOAHUFSYLBX-JTQLQIEISA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1cc(C(=O)[C@H]2CC2(C)C)c(C)o1	235813810	573932590	/nfs/dbraw/zinc/93/25/90/573932590.db2.gz	XDRHDWFQSMRGTQ-SNVBAGLBSA-N	0	0	192.258	3.125	10	0		AGAERN
Cc1ccc(C)n1C[C@H](C)C(C)C	81108903	573933600	/nfs/dbraw/zinc/93/36/00/573933600.db2.gz	LVJXNNUFXRCPCW-JTQLQIEISA-N	0	0	179.307	3.397	10	0		AGAERN
Cc1cccc(C2=CSC(=O)C2)c1	103628122	573933716	/nfs/dbraw/zinc/93/37/16/573933716.db2.gz	BOYXYTGMVMEEOE-UHFFFAOYSA-N	0	0	190.267	3.429	10	0		AGAERN
CC(C)C[C@@H](O)[C@H]1CCC[C@@H](C)C1	44980084	573936468	/nfs/dbraw/zinc/93/64/68/573936468.db2.gz	JNCABLBJJAPBIQ-GRYCIOLGSA-N	0	0	184.323	3.220	10	0		AGAERN
CC1(/C=C\Br)CCC1	686132315	573936735	/nfs/dbraw/zinc/93/67/35/573936735.db2.gz	AVKOPALBSSELTE-WAYWQWQTSA-N	0	0	175.069	3.085	10	0		AGAERN
CCN(C)c1ccc(C)c(C)c1C	259022026	573936754	/nfs/dbraw/zinc/93/67/54/573936754.db2.gz	HEPCQLWTMIFOHN-UHFFFAOYSA-N	0	0	177.291	3.068	10	0		AGAERN
COc1cccc(C(F)(F)C2CC2)c1	259018487	573936987	/nfs/dbraw/zinc/93/69/87/573936987.db2.gz	PKWNWPNXJFUBQC-UHFFFAOYSA-N	0	0	198.212	3.197	10	0		AGAERN
CCOC(=O)[C@@H]1CC[C@H](C)[C@@H](CC)C1	259586055	573936457	/nfs/dbraw/zinc/93/64/57/573936457.db2.gz	KVFRKGOUCDIGQG-GARJFASQSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)C[C@H](O)CCCC(F)(F)F	87523137	573938411	/nfs/dbraw/zinc/93/84/11/573938411.db2.gz	ABPOLBUGRSNPQD-MRVPVSSYSA-N	0	0	198.228	3.126	10	0		AGAERN
CC1=C2CCCCC[C@@](C)(CC1)[C@@H]2O	238215019	573938781	/nfs/dbraw/zinc/93/87/81/573938781.db2.gz	SDBXFLNKBPEPMG-OLZOCXBDSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)[C@@]1(C)CCC[C@@H](C)C1=O	238201373	573940421	/nfs/dbraw/zinc/94/04/21/573940421.db2.gz	DQFCCHLNJRLNGM-MWLCHTKSSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1sccc1[C@H](O)[C@H]1CC1(C)C	235821552	573939822	/nfs/dbraw/zinc/93/98/22/573939822.db2.gz	HLEPQERDKWUQTC-ZJUUUORDSA-N	0	0	196.315	3.136	10	0		AGAERN
CC(C)C1Cc2ccccc2C1	81201231	573940239	/nfs/dbraw/zinc/94/02/39/573940239.db2.gz	HOWRLXGUHZATCY-UHFFFAOYSA-N	0	0	160.260	3.057	10	0		AGAERN
CC1(C)CCCCC(C)(C)[C@H](O)C1	238201180	573940308	/nfs/dbraw/zinc/94/03/08/573940308.db2.gz	KUHLOYURHDABEV-SNVBAGLBSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC1=C2CCCC[C@@H]2CC[C@@H]1O	238200454	573940315	/nfs/dbraw/zinc/94/03/15/573940315.db2.gz	QBAMBFQSCXZVFT-SKDRFNHKSA-N	0	0	180.291	3.038	10	0		AGAERN
CCC(CC)C(=O)C(C1CC1)C1CC1	308469644	573942333	/nfs/dbraw/zinc/94/23/33/573942333.db2.gz	ISYMNGWBHBOAKG-UHFFFAOYSA-N	0	0	194.318	3.428	10	0		AGAERN
O=Cc1cccc([C@@H]2CCC2(F)F)c1	258186643	573942406	/nfs/dbraw/zinc/94/24/06/573942406.db2.gz	VMTBXMASHBUXNL-JTQLQIEISA-N	0	0	196.196	3.012	10	0		AGAERN
O[C@@H](CCCCCF)c1ccccc1	308469472	573942477	/nfs/dbraw/zinc/94/24/77/573942477.db2.gz	BDIAULQQFIDVCS-LBPRGKRZSA-N	0	0	196.265	3.250	10	0		AGAERN
CC(C)C(=O)[C@]1(C)CCC[C@H]1C	238203445	573943540	/nfs/dbraw/zinc/94/35/40/573943540.db2.gz	YSLWQEQUODINIT-MWLCHTKSSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCC1=C[C@H](C)CC(=O)CC1	238202336	573942936	/nfs/dbraw/zinc/94/29/36/573942936.db2.gz	MXQVFTDCLHDRHQ-VIFPVBQESA-N	0	0	166.264	3.102	10	0		AGAERN
O=Cc1cccc([C@H]2CCC2(F)F)c1	258186647	573942945	/nfs/dbraw/zinc/94/29/45/573942945.db2.gz	VMTBXMASHBUXNL-SNVBAGLBSA-N	0	0	196.196	3.012	10	0		AGAERN
Cc1ccc(C)c([C@@H](O)C2(C)CC2)c1	87549603	573943618	/nfs/dbraw/zinc/94/36/18/573943618.db2.gz	SPFWXQKUCACTPF-GFCCVEGCSA-N	0	0	190.286	3.137	10	0		AGAERN
CCC[C@H](C)Cn1cc(C)nc1CC	715077810	573943102	/nfs/dbraw/zinc/94/31/02/573943102.db2.gz	UFYUWZLJZISVKJ-JTQLQIEISA-N	0	0	194.322	3.190	10	0		AGAERN
CC(=C=C(C)CO)C=C=CC(C)(C)C	238203767	573943189	/nfs/dbraw/zinc/94/31/89/573943189.db2.gz	ZLKLDRADZOAQIW-UHFFFAOYSA-N	0	0	192.302	3.228	10	0		AGAERN
Cc1ccc(C(C)C)c2c1NCCC2	238202489	573943276	/nfs/dbraw/zinc/94/32/76/573943276.db2.gz	HVLMQVYTZDUYDY-UHFFFAOYSA-N	0	0	189.302	3.477	10	0		AGAERN
CC1(C)CCCC[C@H](O)CCC1	238203372	573943284	/nfs/dbraw/zinc/94/32/84/573943284.db2.gz	ZHTCVSZXINBPLE-JTQLQIEISA-N	0	0	170.296	3.118	10	0		AGAERN
C[C@H]1Cc2cc(F)ccc2NC1(C)C	258186352	573943343	/nfs/dbraw/zinc/94/33/43/573943343.db2.gz	NDZACEHHHZBQPX-QMMMGPOBSA-N	0	0	193.265	3.208	10	0		AGAERN
Cc1cc(C)cc([C@@H](O)C2(C)CC2)c1	87550112	573945172	/nfs/dbraw/zinc/94/51/72/573945172.db2.gz	WNLKSHMVHJYGSZ-GFCCVEGCSA-N	0	0	190.286	3.137	10	0		AGAERN
CCC1=Cc2ccccc2[C@@H](O)[C@H]1C	238201963	573944430	/nfs/dbraw/zinc/94/44/30/573944430.db2.gz	COEKBDUQWXTTRI-ZANVPECISA-N	0	0	188.270	3.163	10	0		AGAERN
CCC1=Cc2ccccc2[C@@H](O)[C@@H]1C	238201950	573944477	/nfs/dbraw/zinc/94/44/77/573944477.db2.gz	COEKBDUQWXTTRI-RNCFNFMXSA-N	0	0	188.270	3.163	10	0		AGAERN
Nc1cc(F)c2cccc(Cl)c2c1	258186621	573944548	/nfs/dbraw/zinc/94/45/48/573944548.db2.gz	VMDPHNQQQIVPFM-UHFFFAOYSA-N	0	0	195.624	3.215	10	0		AGAERN
CCc1ccc([C@H](O)C2(C)CC2)cc1	87550028	573944676	/nfs/dbraw/zinc/94/46/76/573944676.db2.gz	OZTDEXSTYYBXOO-LBPRGKRZSA-N	0	0	190.286	3.083	10	0		AGAERN
C[C@@H]1CCC[C@H](C(=O)C2(C)CC2)C1	87549277	573944734	/nfs/dbraw/zinc/94/47/34/573944734.db2.gz	LWEJHFHXXMDGRB-ZJUUUORDSA-N	0	0	180.291	3.182	10	0		AGAERN
CCC1=Cc2ccccc2[C@H](O)[C@H]1C	238202020	573944752	/nfs/dbraw/zinc/94/47/52/573944752.db2.gz	COEKBDUQWXTTRI-TVQRCGJNSA-N	0	0	188.270	3.163	10	0		AGAERN
C[C@H]1CCC[C@H](C(=O)C2(C)CC2)C1	87549278	573944754	/nfs/dbraw/zinc/94/47/54/573944754.db2.gz	LWEJHFHXXMDGRB-UWVGGRQHSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1cc(F)cc(C(=O)C2(C)CC2)c1	87549245	573944787	/nfs/dbraw/zinc/94/47/87/573944787.db2.gz	WCLGDULJRMQFKI-UHFFFAOYSA-N	0	0	192.233	3.117	10	0		AGAERN
Cc1ccc(C)c([C@H](O)C2(C)CC2)c1	87549602	573944813	/nfs/dbraw/zinc/94/48/13/573944813.db2.gz	SPFWXQKUCACTPF-LBPRGKRZSA-N	0	0	190.286	3.137	10	0		AGAERN
CC1CCC(C(=O)C2(C)CC2)CC1	87549135	573944866	/nfs/dbraw/zinc/94/48/66/573944866.db2.gz	YNTWXNMAHNNOQB-UHFFFAOYSA-N	0	0	180.291	3.182	10	0		AGAERN
CC1([C@@H](O)c2ccccc2Cl)CC1	87550407	573945097	/nfs/dbraw/zinc/94/50/97/573945097.db2.gz	SOVFAHJSTPOSJR-JTQLQIEISA-N	0	0	196.677	3.174	10	0		AGAERN
CCCC1=C[C@@H](C)CC(=O)CC1	238202059	573945403	/nfs/dbraw/zinc/94/54/03/573945403.db2.gz	MXQVFTDCLHDRHQ-SECBINFHSA-N	0	0	166.264	3.102	10	0		AGAERN
CCCCCCC(=O)C1(C)CC1	87549165	573945435	/nfs/dbraw/zinc/94/54/35/573945435.db2.gz	XOKONBCLYNIRDA-UHFFFAOYSA-N	0	0	168.280	3.326	10	0		AGAERN
CC1([C@@H](O)CC2CCCCC2)CC1	87550248	573945594	/nfs/dbraw/zinc/94/55/94/573945594.db2.gz	QLVQROPCMFZBBV-NSHDSACASA-N	0	0	182.307	3.118	10	0		AGAERN
CC1(C(=O)CC2CCCCC2)CC1	87549173	573945614	/nfs/dbraw/zinc/94/56/14/573945614.db2.gz	LDONJEOHBZACDI-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
CCC1=Cc2ccccc2[C@H](O)[C@@H]1C	238202006	573945621	/nfs/dbraw/zinc/94/56/21/573945621.db2.gz	COEKBDUQWXTTRI-NOZJJQNGSA-N	0	0	188.270	3.163	10	0		AGAERN
CC[C@@H](CC1CCCC1)C(C)=O	42375094	573945642	/nfs/dbraw/zinc/94/56/42/573945642.db2.gz	YBVWKKNMTTXEDP-NSHDSACASA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)C(=O)CCC1CCCC1	42375091	573945715	/nfs/dbraw/zinc/94/57/15/573945715.db2.gz	HSDNFKOCVMFIMF-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
C[C@@H]1Cc2cc(F)ccc2NC1(C)C	258186345	573945802	/nfs/dbraw/zinc/94/58/02/573945802.db2.gz	NDZACEHHHZBQPX-MRVPVSSYSA-N	0	0	193.265	3.208	10	0		AGAERN
CC(=C=C=C(C)CC(C)(C)C)CO	238203814	573945824	/nfs/dbraw/zinc/94/58/24/573945824.db2.gz	NZOVBTPVKNYIBJ-UHFFFAOYSA-N	0	0	180.291	3.062	10	0		AGAERN
CC1([C@H](O)CC2CCCCC2)CC1	87550246	573945828	/nfs/dbraw/zinc/94/58/28/573945828.db2.gz	QLVQROPCMFZBBV-LLVKDONJSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1cc(C(=O)C2(C)CC2)cs1	87549133	573945838	/nfs/dbraw/zinc/94/58/38/573945838.db2.gz	ONYHOJXFPZYPCU-UHFFFAOYSA-N	0	0	180.272	3.039	10	0		AGAERN
Cc1ccc([C@H](O)C2(C)CC2)c(C)c1	87550071	573945844	/nfs/dbraw/zinc/94/58/44/573945844.db2.gz	DXOLPBSFYFANAU-LBPRGKRZSA-N	0	0	190.286	3.137	10	0		AGAERN
CC[C@H](CC1CCCC1)C(C)=O	42375095	573945857	/nfs/dbraw/zinc/94/58/57/573945857.db2.gz	YBVWKKNMTTXEDP-LLVKDONJSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1ccc(C(=O)C2(C)CC2)s1	87548967	573945909	/nfs/dbraw/zinc/94/59/09/573945909.db2.gz	DDZWQFYTFYHPPZ-UHFFFAOYSA-N	0	0	180.272	3.039	10	0		AGAERN
CC1(C)CC=C(CO)C[C@H]2CCC=C21	238205519	573946830	/nfs/dbraw/zinc/94/68/30/573946830.db2.gz	KTDUHGOFNLDCIU-LLVKDONJSA-N	0	0	192.302	3.062	10	0		AGAERN
CC1(C)CC=C(CO)C[C@@H]2CCC=C21	238205505	573947441	/nfs/dbraw/zinc/94/74/41/573947441.db2.gz	KTDUHGOFNLDCIU-NSHDSACASA-N	0	0	192.302	3.062	10	0		AGAERN
Cc1cccc([C@H](O)C2(C)CC2)c1C	87549774	573946849	/nfs/dbraw/zinc/94/68/49/573946849.db2.gz	JKFRITYGEJNTIY-LBPRGKRZSA-N	0	0	190.286	3.137	10	0		AGAERN
Cc1cc(C)cc([C@H](O)C2(C)CC2)c1	87550111	573946896	/nfs/dbraw/zinc/94/68/96/573946896.db2.gz	WNLKSHMVHJYGSZ-LBPRGKRZSA-N	0	0	190.286	3.137	10	0		AGAERN
CCC[C@@H](C)Cn1cc(C)nc1CC	715077814	573946958	/nfs/dbraw/zinc/94/69/58/573946958.db2.gz	UFYUWZLJZISVKJ-SNVBAGLBSA-N	0	0	194.322	3.190	10	0		AGAERN
C/C=C\C[C@H](O)/C=C\c1ccccc1	216230062	573947030	/nfs/dbraw/zinc/94/70/30/573947030.db2.gz	YUMMTTZMEVBYOH-GYERFDINSA-N	0	0	188.270	3.027	10	0		AGAERN
CCOCc1coc2ccc(F)cc12	257914566	573947065	/nfs/dbraw/zinc/94/70/65/573947065.db2.gz	CMDABPRVAVUTSS-UHFFFAOYSA-N	0	0	194.205	3.108	10	0		AGAERN
CCOCc1cc2cc(F)ccc2o1	257914343	573947173	/nfs/dbraw/zinc/94/71/73/573947173.db2.gz	CJSMKXRLQKPLDI-UHFFFAOYSA-N	0	0	194.205	3.108	10	0		AGAERN
Cc1ccc2c(c1)NC(C)(C)[C@H](C)C2	258186280	573947284	/nfs/dbraw/zinc/94/72/84/573947284.db2.gz	NDUZJLFQINNQTK-SNVBAGLBSA-N	0	0	189.302	3.378	10	0		AGAERN
CCCn1nc(C(C)C)cc1Cl	85019236	573951051	/nfs/dbraw/zinc/95/10/51/573951051.db2.gz	NYOJZBZIRMQTOS-UHFFFAOYSA-N	0	0	186.686	3.070	10	0		AGAERN
Cc1nn(C2CCCC2)c(Cl)c1C	85019252	573951067	/nfs/dbraw/zinc/95/10/67/573951067.db2.gz	VDZMYQVOXBVYBQ-UHFFFAOYSA-N	0	0	198.697	3.268	10	0		AGAERN
COc1ccc(C(F)(F)C2CC2)cc1	259025383	573951071	/nfs/dbraw/zinc/95/10/71/573951071.db2.gz	QLNKIVNKXIKTFH-UHFFFAOYSA-N	0	0	198.212	3.197	10	0		AGAERN
CCc1cc(Cl)n([C@@H](C)CC)n1	85019465	573951084	/nfs/dbraw/zinc/95/10/84/573951084.db2.gz	LNMOJPXFCCJRSC-ZETCQYMHSA-N	0	0	186.686	3.070	10	0		AGAERN
CCc1cc(Cl)n([C@H](C)C2CC2)n1	85019585	573951120	/nfs/dbraw/zinc/95/11/20/573951120.db2.gz	KPMNVCYYMUYFDI-SSDOTTSWSA-N	0	0	198.697	3.070	10	0		AGAERN
CC(C)Cn1nc(C2CC2)cc1Cl	85018869	573951335	/nfs/dbraw/zinc/95/13/35/573951335.db2.gz	XMXKDXZCCZFNOU-UHFFFAOYSA-N	0	0	198.697	3.070	10	0		AGAERN
CC[C@H](C)n1ccc(C(C)(C)C)n1	85020379	573951340	/nfs/dbraw/zinc/95/13/40/573951340.db2.gz	MYBBASYYBOMPDZ-VIFPVBQESA-N	0	0	180.295	3.152	10	0		AGAERN
CC(C)[C@]1(C)CCCCCC1=O	238208150	573951378	/nfs/dbraw/zinc/95/13/78/573951378.db2.gz	QFQGGZJEIPJUMA-NSHDSACASA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H](C)n1ccc(C(C)(C)C)n1	85020377	573951473	/nfs/dbraw/zinc/95/14/73/573951473.db2.gz	MYBBASYYBOMPDZ-SECBINFHSA-N	0	0	180.295	3.152	10	0		AGAERN
FCCCCc1ccc(C2CC2)nc1	308471415	573951609	/nfs/dbraw/zinc/95/16/09/573951609.db2.gz	IDMNGSDOCGSZHH-UHFFFAOYSA-N	0	0	193.265	3.251	10	0		AGAERN
CCc1cc(Cl)n(C2CCCC2)n1	85019277	573953222	/nfs/dbraw/zinc/95/32/22/573953222.db2.gz	KSDLECJHGWUJHV-UHFFFAOYSA-N	0	0	198.697	3.214	10	0		AGAERN
CC1(C)C(=C=C2CCCCC2)[C@@H]1CO	238206564	573953255	/nfs/dbraw/zinc/95/32/55/573953255.db2.gz	IBQVBVFSMXPVGA-LBPRGKRZSA-N	0	0	192.302	3.051	10	0		AGAERN
Cc1ccc2c([C@H](C)O)csc2c1	257910459	573953296	/nfs/dbraw/zinc/95/32/96/573953296.db2.gz	NIFCDZFVDIOTAU-QMMMGPOBSA-N	0	0	192.283	3.263	10	0		AGAERN
CC(C)c1ccn(C2CCCC2)n1	85020321	573953298	/nfs/dbraw/zinc/95/32/98/573953298.db2.gz	NXRVKKROLCHSRF-UHFFFAOYSA-N	0	0	178.279	3.122	10	0		AGAERN
CC(C)C(C)(C)/C=C/Cl	238207465	573953309	/nfs/dbraw/zinc/95/33/09/573953309.db2.gz	LRNHAXFQIOJJQA-AATRIKPKSA-N	0	0	146.661	3.421	10	0		AGAERN
Cc1nn([C@@H](C)C2CC2)c(Cl)c1C	85019531	573953329	/nfs/dbraw/zinc/95/33/29/573953329.db2.gz	VUPZXMVNKJBHSG-QMMMGPOBSA-N	0	0	198.697	3.124	10	0		AGAERN
CC(C)C(C)(C)[C@H]1CCCC[C@@H]1O	238207282	573953338	/nfs/dbraw/zinc/95/33/38/573953338.db2.gz	IAVZOXVOMOBWCU-QWRGUYRKSA-N	0	0	184.323	3.220	10	0		AGAERN
CCCCNc1cc(N)c(C)cc1C	238208359	573953342	/nfs/dbraw/zinc/95/33/42/573953342.db2.gz	NHQYBTNITJBAOZ-UHFFFAOYSA-N	0	0	192.306	3.098	10	0		AGAERN
CC(C)C(C)(C)[Si](C)(C)[C@H](C)O	238207436	573953469	/nfs/dbraw/zinc/95/34/69/573953469.db2.gz	HUNWCFKJHPEKNE-SECBINFHSA-N	0	0	188.387	3.051	10	0		AGAERN
CC(C)[C@]1(C)C[C@H](O)CC(C)(C)C1	238208588	573953522	/nfs/dbraw/zinc/95/35/22/573953522.db2.gz	YHCQQIINIYPBRC-ZYHUDNBSSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC(CC)n1nc(C)cc1Cl	85019475	573953527	/nfs/dbraw/zinc/95/35/27/573953527.db2.gz	KBCMPALKDRFTJI-UHFFFAOYSA-N	0	0	186.686	3.206	10	0		AGAERN
CCCc1ccn(C2CCCCC2)n1	85020329	573953556	/nfs/dbraw/zinc/95/35/56/573953556.db2.gz	CZDRINCILNWHHN-UHFFFAOYSA-N	0	0	192.306	3.341	10	0		AGAERN
CCCC1=C2CCCC[C@H]2C(=O)C1	238207022	573953592	/nfs/dbraw/zinc/95/35/92/573953592.db2.gz	MIJOCHSYWSRTJI-LLVKDONJSA-N	0	0	178.275	3.246	10	0		AGAERN
CC(C)C(C)(C)[C@@H]1CCCC[C@H]1O	238207127	573953597	/nfs/dbraw/zinc/95/35/97/573953597.db2.gz	IAVZOXVOMOBWCU-GHMZBOCLSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)(C)n1nc(C2CC2)cc1Cl	85018814	573953625	/nfs/dbraw/zinc/95/36/25/573953625.db2.gz	WVUOCIDUIBAVLB-UHFFFAOYSA-N	0	0	198.697	3.169	10	0		AGAERN
Cc1ccc2c([C@@H](C)O)csc2c1	257910454	573953664	/nfs/dbraw/zinc/95/36/64/573953664.db2.gz	NIFCDZFVDIOTAU-MRVPVSSYSA-N	0	0	192.283	3.263	10	0		AGAERN
CCc1cc(Cl)n([C@H](C)CC)n1	85019467	573953686	/nfs/dbraw/zinc/95/36/86/573953686.db2.gz	LNMOJPXFCCJRSC-SSDOTTSWSA-N	0	0	186.686	3.070	10	0		AGAERN
Cc1cc(F)cc(C(=O)CC2CC2)c1	87580874	573953732	/nfs/dbraw/zinc/95/37/32/573953732.db2.gz	VBGJXQXWFLKJNY-UHFFFAOYSA-N	0	0	192.233	3.117	10	0		AGAERN
CC(C)n1ccc(-c2ccccc2)n1	85020274	573953796	/nfs/dbraw/zinc/95/37/96/573953796.db2.gz	MJGCGFDLYCPHRT-UHFFFAOYSA-N	0	0	186.258	3.131	10	0		AGAERN
C[C@@H](O)C[C@@H](C)OC1=CCCCCC1	216371714	573953886	/nfs/dbraw/zinc/95/38/86/573953886.db2.gz	FZPHOPBRSRPRFB-GHMZBOCLSA-N	0	0	198.306	3.010	10	0		AGAERN
O[C@@H](CC1CCCCC1)CC1CC1	87581464	573953909	/nfs/dbraw/zinc/95/39/09/573953909.db2.gz	VGDMPVZZGXPWQL-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1cc(C)cc(C(=O)CC2CC2)c1	87580891	573953959	/nfs/dbraw/zinc/95/39/59/573953959.db2.gz	ZQBUEIBJIVVTNU-UHFFFAOYSA-N	0	0	188.270	3.286	10	0		AGAERN
C[C@H]1CC(C(=O)CC2CC2)C[C@H](C)C1	87580674	573954040	/nfs/dbraw/zinc/95/40/40/573954040.db2.gz	OLJHIDBPYFFINV-NXEZZACHSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@H]1C[C@@H]([C@H](O)CC2CC2)CC[C@H]1C	87581391	573954043	/nfs/dbraw/zinc/95/40/43/573954043.db2.gz	HSUCVZJPNAPELF-RSLMWUCJSA-N	0	0	196.334	3.220	10	0		AGAERN
Cc1cccc([C@H](O)CC2CC2)c1C	87581162	573954048	/nfs/dbraw/zinc/95/40/48/573954048.db2.gz	VEARSMCVWQXTAA-CYBMUJFWSA-N	0	0	190.286	3.137	10	0		AGAERN
Cc1cccc([C@@H](O)CC2CC2)c1C	87581164	573955297	/nfs/dbraw/zinc/95/52/97/573955297.db2.gz	VEARSMCVWQXTAA-ZDUSSCGKSA-N	0	0	190.286	3.137	10	0		AGAERN
Cc1cc(C(C)C)cc([C@H](C)O)c1C	258189660	573954558	/nfs/dbraw/zinc/95/45/58/573954558.db2.gz	XIIWZSDRFODNID-NSHDSACASA-N	0	0	192.302	3.480	10	0		AGAERN
Cc1cc(C(C)C)cc([C@@H](C)O)c1C	258189658	573954608	/nfs/dbraw/zinc/95/46/08/573954608.db2.gz	XIIWZSDRFODNID-LLVKDONJSA-N	0	0	192.302	3.480	10	0		AGAERN
Cc1cc(C(=O)CC2CC2)cs1	87580825	573954696	/nfs/dbraw/zinc/95/46/96/573954696.db2.gz	ISDDUQZDGOZWBV-UHFFFAOYSA-N	0	0	180.272	3.039	10	0		AGAERN
Cc1cc(F)ccc1C(=O)CC1CC1	87580657	573955030	/nfs/dbraw/zinc/95/50/30/573955030.db2.gz	OQRNQRHGZPGLEE-UHFFFAOYSA-N	0	0	192.233	3.117	10	0		AGAERN
Cc1cc(C)cc([C@H](O)CC2CC2)c1	87581363	573955059	/nfs/dbraw/zinc/95/50/59/573955059.db2.gz	UMZPADBXQWETDA-CYBMUJFWSA-N	0	0	190.286	3.137	10	0		AGAERN
CC/C(F)=C(/F)[C@H](O)c1ccccc1	238210372	573955205	/nfs/dbraw/zinc/95/52/05/573955205.db2.gz	RYMASYFTROWSKM-DWOQACPDSA-N	0	0	198.212	3.281	10	0		AGAERN
OC/C(=C/C1CCC1)C1CCCCC1	87586630	573957159	/nfs/dbraw/zinc/95/71/59/573957159.db2.gz	TWQYIRWDPGYECB-LCYFTJDESA-N	0	0	194.318	3.286	10	0		AGAERN
CC(C)C[C@@]1(O)CCC[C@H](C2CC2)C1	81647326	573957176	/nfs/dbraw/zinc/95/71/76/573957176.db2.gz	ZDTHLQSIEDMPKM-STQMWFEESA-N	0	0	196.334	3.364	10	0		AGAERN
CC1(C)CC=C(OC2CC2)CC1	238209126	573957205	/nfs/dbraw/zinc/95/72/05/573957205.db2.gz	QIEXBSMHJMNERI-UHFFFAOYSA-N	0	0	166.264	3.259	10	0		AGAERN
CC1(C)CCCC2=C(CCC2)[C@H]1O	238209954	573957281	/nfs/dbraw/zinc/95/72/81/573957281.db2.gz	XEVOCWOXQKCZCJ-LLVKDONJSA-N	0	0	180.291	3.038	10	0		AGAERN
CCC[C@]1(O)CCC[C@H](C2CC2)C1	81646937	573957334	/nfs/dbraw/zinc/95/73/34/573957334.db2.gz	SGPHIPMGVJZBDW-RYUDHWBXSA-N	0	0	182.307	3.118	10	0		AGAERN
CCC[C@](C)(O)CC(CC)CC	127880893	573957795	/nfs/dbraw/zinc/95/77/95/573957795.db2.gz	DHPOWHHHZLWQOG-NSHDSACASA-N	0	0	172.312	3.364	10	0		AGAERN
CCC(CC)CC(=O)c1ccncc1	127885995	573957809	/nfs/dbraw/zinc/95/78/09/573957809.db2.gz	ZASGIACOISGBPO-UHFFFAOYSA-N	0	0	191.274	3.091	10	0		AGAERN
CCC[C@H](C)C[C@@H](CO)CC(C)C	85040084	573958685	/nfs/dbraw/zinc/95/86/85/573958685.db2.gz	KCTZOWOCKIPMHZ-RYUDHWBXSA-N	0	0	186.339	3.467	10	0		AGAERN
CCC=C(C)Nc1ccccc1	238215774	573958910	/nfs/dbraw/zinc/95/89/10/573958910.db2.gz	FXSWTKWHGGMCJN-YFHOEESVSA-N	0	0	161.248	3.412	10	0		AGAERN
CC1(CO)CCC(C(C)(C)C)CC1	85038308	573959188	/nfs/dbraw/zinc/95/91/88/573959188.db2.gz	CYAHEXKKRZIVIN-UHFFFAOYSA-N	0	0	184.323	3.221	10	0		AGAERN
CC(C)/C(=C(/F)CO)c1ccccc1	238216558	573962377	/nfs/dbraw/zinc/96/23/77/573962377.db2.gz	KSLSLJIFAPAOJX-QXMHVHEDSA-N	0	0	194.249	3.016	10	0		AGAERN
CC/C=C(/C)[C@@H](O)C1=CCCCC1	238215962	573962671	/nfs/dbraw/zinc/96/26/71/573962671.db2.gz	JPEZRLHHMJYYPJ-MQGYJPLLSA-N	0	0	180.291	3.204	10	0		AGAERN
Cc1cc(N)c(C)c2ccccc12	197148463	573962984	/nfs/dbraw/zinc/96/29/84/573962984.db2.gz	SJTLWNGIGFRNQY-UHFFFAOYSA-N	0	0	171.243	3.039	10	0		AGAERN
CC1=C(C)C[C@H]([C@@H](O)C(C)C)CC1	238216969	573963077	/nfs/dbraw/zinc/96/30/77/573963077.db2.gz	OKMJXWQDCSXVEA-NEPJUHHUSA-N	0	0	182.307	3.140	10	0		AGAERN
CC(C)C=CNc1ccccc1	238218925	573967519	/nfs/dbraw/zinc/96/75/19/573967519.db2.gz	UQBBXEFFOPWZFT-CMDGGOBGSA-N	0	0	161.248	3.268	10	0		AGAERN
CC(C)/C=C/C1(CO)CCCCC1	238218271	573967719	/nfs/dbraw/zinc/96/77/19/573967719.db2.gz	DTFIGJSOSVMIBL-RMKNXTFCSA-N	0	0	182.307	3.141	10	0		AGAERN
CC(C)c1cccc2c1C[C@@H](C)N2	238219866	573967800	/nfs/dbraw/zinc/96/78/00/573967800.db2.gz	ADULKISZJPPIGJ-SECBINFHSA-N	0	0	175.275	3.167	10	0		AGAERN
CC1=CCCC(=O)[C@@]2(C)CCC[C@@H]12	238228702	573969545	/nfs/dbraw/zinc/96/95/45/573969545.db2.gz	HIWGXDBMTLDUDV-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
CCC[C@H]1C[C@@H]1c1cscc1N	238228821	573969691	/nfs/dbraw/zinc/96/96/91/573969691.db2.gz	AJTVGESESLASSL-YUMQZZPRSA-N	0	0	181.304	3.234	10	0		AGAERN
CC1=CCC(=O)C(C)(C)CCC1	238227342	573969847	/nfs/dbraw/zinc/96/98/47/573969847.db2.gz	RFMQZHRTXWAJLX-UHFFFAOYSA-N	0	0	166.264	3.102	10	0		AGAERN
CC[C@@H]1[C@H]2C=C[C@H](C2)[C@H]1CC	104391324	573972103	/nfs/dbraw/zinc/97/21/03/573972103.db2.gz	FWTMRUUSZLTBHB-LMLFDSFASA-N	0	0	150.265	3.245	10	0		AGAERN
CC[C@@H]1[C@H]2C=C[C@H](C2)[C@@H]1CC	104391321	573972521	/nfs/dbraw/zinc/97/25/21/573972521.db2.gz	FWTMRUUSZLTBHB-CKIJPRSSSA-N	0	0	150.265	3.245	10	0		AGAERN
CCCc1ccc(CC)cc1	81914878	573972565	/nfs/dbraw/zinc/97/25/65/573972565.db2.gz	ADQDTIAWIXUACV-UHFFFAOYSA-N	0	0	148.249	3.202	10	0		AGAERN
CC(C)[C@@H]1CC=C(C[C@@H](C)O)CC1	238229471	573972834	/nfs/dbraw/zinc/97/28/34/573972834.db2.gz	WYXYRPRJURVTPV-ZYHUDNBSSA-N	0	0	182.307	3.140	10	0		AGAERN
CC(C)[C@@H]1CC=C(C[C@H](C)O)CC1	238229521	573974909	/nfs/dbraw/zinc/97/49/09/573974909.db2.gz	WYXYRPRJURVTPV-CMPLNLGQSA-N	0	0	182.307	3.140	10	0		AGAERN
CC1(c2cc3ccccc3[nH]2)CC1	104396563	573975088	/nfs/dbraw/zinc/97/50/88/573975088.db2.gz	YYELEODWOVIYJF-UHFFFAOYSA-N	0	0	171.243	3.219	10	0		AGAERN
CC1(C)C(=CCl)C1(C)C	238229923	573975392	/nfs/dbraw/zinc/97/53/92/573975392.db2.gz	MARHCIFAAKPQHZ-UHFFFAOYSA-N	0	0	144.645	3.175	10	0		AGAERN
CC(C)[C@H]1CCCC(=O)C1(C)C	238229817	573975408	/nfs/dbraw/zinc/97/54/08/573975408.db2.gz	SOODSYUICYUFOI-SECBINFHSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC[C@@H]1CC(=O)CC[C@@H](C)C1	238229530	573975635	/nfs/dbraw/zinc/97/56/35/573975635.db2.gz	QDZMLJXISWQVIZ-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)c1cc(C=O)cc(C(C)C)n1	238229193	573975907	/nfs/dbraw/zinc/97/59/07/573975907.db2.gz	JTVSKDLYMFBGLV-UHFFFAOYSA-N	0	0	191.274	3.141	10	0		AGAERN
Cc1cc(C)c(C)c([C@@H](O)C(C)C)c1	238220606	573976168	/nfs/dbraw/zinc/97/61/68/573976168.db2.gz	AZAUNSDIHHUPTQ-ZDUSSCGKSA-N	0	0	192.302	3.301	10	0		AGAERN
CC(C)[C@@H]1CCCC[C@H]1C[C@H](C)CO	256081222	573977819	/nfs/dbraw/zinc/97/78/19/573977819.db2.gz	FJLMKTWTPFOFCT-AVGNSLFASA-N	0	0	198.350	3.467	10	0		AGAERN
CC1(C)C[C@]2(CC23CCCCC3)[C@@H]1O	238221427	573977904	/nfs/dbraw/zinc/97/79/04/573977904.db2.gz	XWMWLVHLYTUXDN-MFKMUULPSA-N	0	0	194.318	3.118	10	0		AGAERN
Cc1ccc([C@@H](O)C(C)C)c(C)c1C	238220666	573978001	/nfs/dbraw/zinc/97/80/01/573978001.db2.gz	VNCLBDYHGMFRDX-ZDUSSCGKSA-N	0	0	192.302	3.301	10	0		AGAERN
CC1(C)C[C@]2(CC23CCCCC3)[C@H]1O	238221437	573978392	/nfs/dbraw/zinc/97/83/92/573978392.db2.gz	XWMWLVHLYTUXDN-GWCFXTLKSA-N	0	0	194.318	3.118	10	0		AGAERN
Cc1cc(C)c(C(C)C)c(C)c1N	238223222	573979687	/nfs/dbraw/zinc/97/96/87/573979687.db2.gz	KNIOSDLPJBTECB-UHFFFAOYSA-N	0	0	177.291	3.317	10	0		AGAERN
CC[C@@H](C)CC[C@H](O)CC(C)C	82080637	573983400	/nfs/dbraw/zinc/98/34/00/573983400.db2.gz	AVYRIYCVMVAMCW-MNOVXSKESA-N	0	0	172.312	3.220	10	0		AGAERN
Cc1cc(N)c(C(C)C)c(Cl)c1O	238224735	573983629	/nfs/dbraw/zinc/98/36/29/573983629.db2.gz	PAHASIKXQXTOPV-UHFFFAOYSA-N	0	0	199.681	3.060	10	0		AGAERN
CCC1(CC)CCC(C)(C)[C@@H](O)C1	238224512	573983647	/nfs/dbraw/zinc/98/36/47/573983647.db2.gz	FBUSBQHBHIENHK-JTQLQIEISA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1cc(O)c(C(C)C)c(Cl)c1N	238225066	573983672	/nfs/dbraw/zinc/98/36/72/573983672.db2.gz	NCLQPWRQRLADQS-UHFFFAOYSA-N	0	0	199.681	3.060	10	0		AGAERN
CCc1nc2c(C)cc(C)cc2s1	104459950	573986553	/nfs/dbraw/zinc/98/65/53/573986553.db2.gz	XEVXCJGUSGUIGT-UHFFFAOYSA-N	0	0	191.299	3.476	10	0		AGAERN
CCC[C@H]1C[C@H]1c1sccc1N	238230634	573986556	/nfs/dbraw/zinc/98/65/56/573986556.db2.gz	NKKZNNUITIHXBX-JGVFFNPUSA-N	0	0	181.304	3.234	10	0		AGAERN
CCC[C@@H]1CCCCCCC1=O	82053498	573985945	/nfs/dbraw/zinc/98/59/45/573985945.db2.gz	CMWJPWDLMKFILT-SNVBAGLBSA-N	0	0	168.280	3.326	10	0		AGAERN
CC1(C)c2ccccc2-c2[nH]ccc21	238230744	573986410	/nfs/dbraw/zinc/98/64/10/573986410.db2.gz	XGKPDZLTFDKDDW-UHFFFAOYSA-N	0	0	183.254	3.321	10	0		AGAERN
Cc1nc2c(C)ccc(C)c2s1	104460434	573986444	/nfs/dbraw/zinc/98/64/44/573986444.db2.gz	XJRSVFOXWKVEFJ-UHFFFAOYSA-N	0	0	177.272	3.222	10	0		AGAERN
CC1(C)CC[C@H](O)C2=C1CCCC2	238226700	573986450	/nfs/dbraw/zinc/98/64/50/573986450.db2.gz	WTDLTAWTOMKIOV-NSHDSACASA-N	0	0	180.291	3.038	10	0		AGAERN
CC1CCC(C(=O)c2ccco2)CC1	82193599	573986996	/nfs/dbraw/zinc/98/69/96/573986996.db2.gz	XIZHGAFUQBWYAW-UHFFFAOYSA-N	0	0	192.258	3.289	10	0		AGAERN
Cc1sc(Cl)nc1CC(C)C	104460479	573987354	/nfs/dbraw/zinc/98/73/54/573987354.db2.gz	GMAMGHPKAUBGFM-UHFFFAOYSA-N	0	0	189.711	3.303	10	0		AGAERN
O=C(CC1CCC1)c1ccc(F)cc1	82204694	573987447	/nfs/dbraw/zinc/98/74/47/573987447.db2.gz	NQQOLUFXFBTYIW-UHFFFAOYSA-N	0	0	192.233	3.199	10	0		AGAERN
CCC1(CC)[C@@H](C)C(=O)C1(C)C	238230478	573987516	/nfs/dbraw/zinc/98/75/16/573987516.db2.gz	DFYQOFULCBGQGY-QMMMGPOBSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1cc(O)c(Cl)cc1C(C)C	238230332	573987564	/nfs/dbraw/zinc/98/75/64/573987564.db2.gz	XZXBQTXOBUTQCN-UHFFFAOYSA-N	0	0	184.666	3.477	10	0		AGAERN
CCC(=O)[C@@H]1CCC2=C1CCCC2	238226177	573987664	/nfs/dbraw/zinc/98/76/64/573987664.db2.gz	KLUQZEBIGUKDKO-LLVKDONJSA-N	0	0	178.275	3.246	10	0		AGAERN
CC1CCC([C@@H](O)c2ccco2)CC1	82193656	573989579	/nfs/dbraw/zinc/98/95/79/573989579.db2.gz	USRXUVYWHYUISJ-RTYFJBAXSA-N	0	0	194.274	3.139	10	0		AGAERN
CCc1nc2c(C)cccc2s1	104457014	573989659	/nfs/dbraw/zinc/98/96/59/573989659.db2.gz	QRNATOIJPYJIQC-UHFFFAOYSA-N	0	0	177.272	3.167	10	0		AGAERN
CCc1nc2c(CC)cccc2s1	104458831	573989662	/nfs/dbraw/zinc/98/96/62/573989662.db2.gz	CQOOYORMTIZYCE-UHFFFAOYSA-N	0	0	191.299	3.421	10	0		AGAERN
CC1=CCCC[C@H](O)c2ccccc21	238230709	573989070	/nfs/dbraw/zinc/98/90/70/573989070.db2.gz	OBQDGOMZFIGRSB-ZDUSSCGKSA-N	0	0	188.270	3.307	10	0		AGAERN
CCCCCC1(O)CCCCC1	82116497	573989125	/nfs/dbraw/zinc/98/91/25/573989125.db2.gz	QKMOFWOJEZZHFD-UHFFFAOYSA-N	0	0	170.296	3.262	10	0		AGAERN
CCC[C@H]1C[C@H]1c1ccsc1N	238230608	573989263	/nfs/dbraw/zinc/98/92/63/573989263.db2.gz	KHZLNLRNQHHHCU-IONNQARKSA-N	0	0	181.304	3.234	10	0		AGAERN
CC1CCC([C@H](O)c2ccco2)CC1	82193654	573989421	/nfs/dbraw/zinc/98/94/21/573989421.db2.gz	USRXUVYWHYUISJ-CBINBANVSA-N	0	0	194.274	3.139	10	0		AGAERN
Cc1ccc([C@@]2(C)CCC(=O)C2)cc1	104456914	573989436	/nfs/dbraw/zinc/98/94/36/573989436.db2.gz	BKGHCDINFFMWNU-ZDUSSCGKSA-N	0	0	188.270	3.006	10	0		AGAERN
CCc1nc2ccc(C)cc2s1	104458106	573989498	/nfs/dbraw/zinc/98/94/98/573989498.db2.gz	DJXUMQYYDFNLSA-UHFFFAOYSA-N	0	0	177.272	3.167	10	0		AGAERN
CC1CCC([C@H](O)c2ccoc2)CC1	82193650	573990111	/nfs/dbraw/zinc/99/01/11/573990111.db2.gz	NCQPVBNQGQAKCC-CBINBANVSA-N	0	0	194.274	3.139	10	0		AGAERN
CC(C)c1cc(N)c(C(C)C)c(N)c1	238230987	573990115	/nfs/dbraw/zinc/99/01/15/573990115.db2.gz	PLQKJQHKKQZYCC-UHFFFAOYSA-N	0	0	192.306	3.098	10	0		AGAERN
CC1CCC(C(=O)c2ccoc2)CC1	82193601	573990138	/nfs/dbraw/zinc/99/01/38/573990138.db2.gz	NKHSYESQCMJQNO-UHFFFAOYSA-N	0	0	192.258	3.289	10	0		AGAERN
C/C=C/Cn1ccc2ccccc21	82184906	573990187	/nfs/dbraw/zinc/99/01/87/573990187.db2.gz	RZMWJZILWFNLOK-NSCUHMNNSA-N	0	0	171.243	3.217	10	0		AGAERN
CCSc1ccc2cc[nH]c2c1	82112792	573990395	/nfs/dbraw/zinc/99/03/95/573990395.db2.gz	KBMYQVPIGRMAEM-UHFFFAOYSA-N	0	0	177.272	3.280	10	0		AGAERN
Cc1ccccc1Nc1cccnc1	104464983	573990419	/nfs/dbraw/zinc/99/04/19/573990419.db2.gz	AGLLDRVVVSMSDK-UHFFFAOYSA-N	0	0	184.242	3.134	10	0		AGAERN
CC(C)C(=O)c1sccc1Cl	87620936	573990449	/nfs/dbraw/zinc/99/04/49/573990449.db2.gz	HTBTZTYDTZXEPJ-UHFFFAOYSA-N	0	0	188.679	3.240	10	0		AGAERN
CCC[C@](C)(O)c1csc(C)c1	87648709	573990526	/nfs/dbraw/zinc/99/05/26/573990526.db2.gz	PFHGRJQGLOJNOI-JTQLQIEISA-N	0	0	184.304	3.064	10	0		AGAERN
CC(C)[C@@H](O)c1sccc1Cl	87623001	573990649	/nfs/dbraw/zinc/99/06/49/573990649.db2.gz	HKTCQBSTDPLGEG-SSDOTTSWSA-N	0	0	190.695	3.091	10	0		AGAERN
CC(C)[C@H]1CC[C@@H](C)CC(=O)C1	238232604	573990652	/nfs/dbraw/zinc/99/06/52/573990652.db2.gz	LIDRUEMGEUEAEY-ZJUUUORDSA-N	0	0	168.280	3.038	10	0		AGAERN
CC1(C)C(O)C(C)(C)C(C)(C)C1(C)C	238233971	573990725	/nfs/dbraw/zinc/99/07/25/573990725.db2.gz	PYNIGSSUCHTXRN-UHFFFAOYSA-N	0	0	198.350	3.466	10	0		AGAERN
CCC[C@](C)(O)c1cc(C)ccc1F	87648839	573990816	/nfs/dbraw/zinc/99/08/16/573990816.db2.gz	RUAKSJVGLJXQOZ-LBPRGKRZSA-N	0	0	196.265	3.142	10	0		AGAERN
CCC[C@@](C)(O)C1CCCCC1	87648828	573992446	/nfs/dbraw/zinc/99/24/46/573992446.db2.gz	BEOBLTWSYKMGHH-LLVKDONJSA-N	0	0	170.296	3.118	10	0		AGAERN
CC1=CCC[C@H]1[C@H](O)c1ccccc1	238233004	573992485	/nfs/dbraw/zinc/99/24/85/573992485.db2.gz	CQXKHQHFVIAKKT-CHWSQXEVSA-N	0	0	188.270	3.076	10	0		AGAERN
C[C@@H]1CCc2c1[nH]c1c(C=O)cccc21	45813890	573992529	/nfs/dbraw/zinc/99/25/29/573992529.db2.gz	UILUEFWCUVDELH-MRVPVSSYSA-N	0	0	199.253	3.030	10	0		AGAERN
CCC[C@@](C)(O)c1cc(C)ccc1F	87648840	573992533	/nfs/dbraw/zinc/99/25/33/573992533.db2.gz	RUAKSJVGLJXQOZ-GFCCVEGCSA-N	0	0	196.265	3.142	10	0		AGAERN
CC1=CCC[C@]12CCCCCC2=O	238233342	573992656	/nfs/dbraw/zinc/99/26/56/573992656.db2.gz	UISXSXJOUSUMLA-GFCCVEGCSA-N	0	0	178.275	3.246	10	0		AGAERN
CC(C)[C@H](O)c1sccc1Cl	87622999	573992795	/nfs/dbraw/zinc/99/27/95/573992795.db2.gz	HKTCQBSTDPLGEG-ZETCQYMHSA-N	0	0	190.695	3.091	10	0		AGAERN
CC1=CCC[C@H]1[C@@H]1CCCCC1=O	238232994	573992816	/nfs/dbraw/zinc/99/28/16/573992816.db2.gz	WOBTYWMKDIVESL-MNOVXSKESA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1ccc(Cl)cc1-c1ncc[nH]1	104465531	573993024	/nfs/dbraw/zinc/99/30/24/573993024.db2.gz	ZWFJTPRARNQOEX-UHFFFAOYSA-N	0	0	192.649	3.039	10	0		AGAERN
CC1=CCC[C@]2(C)CCCC(=O)[C@H]12	238233509	573993086	/nfs/dbraw/zinc/99/30/86/573993086.db2.gz	INLREHUAHOMLET-NWDGAFQWSA-N	0	0	178.275	3.102	10	0		AGAERN
CCC(CC)CC(=O)C1(C)CC1	127924263	573993922	/nfs/dbraw/zinc/99/39/22/573993922.db2.gz	DSQZTAUAYDZQKS-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1c(Cl)c2ccccn2c1C	259262620	573993935	/nfs/dbraw/zinc/99/39/35/573993935.db2.gz	AWKAUXXJJWMJAI-UHFFFAOYSA-N	0	0	179.650	3.210	10	0		AGAERN
Cc1cc(Cl)c2[nH]c(C)cc2c1	104462196	573993506	/nfs/dbraw/zinc/99/35/06/573993506.db2.gz	YUJUDLWAESOMGD-UHFFFAOYSA-N	0	0	179.650	3.438	10	0		AGAERN
CCC(=O)[C@H]1CCC2=C1CCCC2	238233395	573993685	/nfs/dbraw/zinc/99/36/85/573993685.db2.gz	KLUQZEBIGUKDKO-NSHDSACASA-N	0	0	178.275	3.246	10	0		AGAERN
CC(=O)c1ccc(C(C)C)[nH]c1=S	238234368	573995277	/nfs/dbraw/zinc/99/52/77/573995277.db2.gz	WLZNCAFBQSQNHS-UHFFFAOYSA-N	0	0	195.287	3.070	10	0		AGAERN
CCC(CC)CC(=O)C1CCC1	127902146	573995140	/nfs/dbraw/zinc/99/51/40/573995140.db2.gz	DOULWIQEZBFTAN-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC(CC)CC(=O)CC1CC1	127924911	573997888	/nfs/dbraw/zinc/99/78/88/573997888.db2.gz	VKUZQOVRVPECCD-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)[C@H]1CC[C@H](C)CCC1=O	238236682	573997903	/nfs/dbraw/zinc/99/79/03/573997903.db2.gz	VAFHHZVJQMMSAT-VHSXEESVSA-N	0	0	168.280	3.038	10	0		AGAERN
FC(F)(F)SC1CCCC1	259265976	573997974	/nfs/dbraw/zinc/99/79/74/573997974.db2.gz	QLUMKLGVMAISNE-UHFFFAOYSA-N	0	0	170.199	3.182	10	0		AGAERN
CCCC1Nc2ccccc2C1=S	238235953	573998191	/nfs/dbraw/zinc/99/81/91/573998191.db2.gz	GYAXMCLUJBWBET-UHFFFAOYSA-N	0	0	191.299	3.409	10	0		AGAERN
CCCC(=O)[C@@H](C)c1cccc(F)c1	211792425	574000937	/nfs/dbraw/zinc/00/09/37/574000937.db2.gz	NBXPBLJMIJUEGV-VIFPVBQESA-N	0	0	194.249	3.298	10	0		AGAERN
CCCC(=O)[C@H](C)c1ccc(C)cc1	211792151	574000941	/nfs/dbraw/zinc/00/09/41/574000941.db2.gz	JKAKEMWTMMUBMK-LLVKDONJSA-N	0	0	190.286	3.468	10	0		AGAERN
CCC[C@@]1(C)CCC[C@@H](C)C1=O	238235921	574000321	/nfs/dbraw/zinc/00/03/21/574000321.db2.gz	JVJGEBWEBSLWOW-KOLCDFICSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@@]1(C)CCC[C@H](C)C1=O	238235961	574000667	/nfs/dbraw/zinc/00/06/67/574000667.db2.gz	JVJGEBWEBSLWOW-ONGXEEELSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1ccc(C(C)C)c2c1CCC2=O	238236752	574000701	/nfs/dbraw/zinc/00/07/01/574000701.db2.gz	LYGWOILDANUUNI-UHFFFAOYSA-N	0	0	188.270	3.247	10	0		AGAERN
CCCC(=O)[C@@H](C)c1cccc(C)c1	211792258	574000716	/nfs/dbraw/zinc/00/07/16/574000716.db2.gz	LPLOYECWMFPGMS-NSHDSACASA-N	0	0	190.286	3.468	10	0		AGAERN
CC[C@H](C)[C@H]1CCC[C@@H](C(=O)OC)C1	259591390	574002529	/nfs/dbraw/zinc/00/25/29/574002529.db2.gz	LJGWXRMKXLBPIL-GARJFASQSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC1=C(CC)[C@@H]2C(=O)CCC[C@H]12	238238071	574002754	/nfs/dbraw/zinc/00/27/54/574002754.db2.gz	QLWVFTCVEQPGQE-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1ccc(C(C)C)c([C@H](C)O)c1	238237611	574002816	/nfs/dbraw/zinc/00/28/16/574002816.db2.gz	JMMADKYJDCBFGU-JTQLQIEISA-N	0	0	178.275	3.172	10	0		AGAERN
CCC1=C(CC)[C@@H]2CCCC(=O)[C@H]12	238237906	574002826	/nfs/dbraw/zinc/00/28/26/574002826.db2.gz	QLWVFTCVEQPGQE-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
C1=C[C@H]2c3ccccc3NC[C@@H]2CC1	197869137	574002852	/nfs/dbraw/zinc/00/28/52/574002852.db2.gz	MSAPXSINAGEOOI-WDEREUQCSA-N	0	0	185.270	3.162	10	0		AGAERN
Cc1c(C(C)C)ccc(Cl)c1O	238238910	574002889	/nfs/dbraw/zinc/00/28/89/574002889.db2.gz	FXJMUGCSMXWZBS-UHFFFAOYSA-N	0	0	184.666	3.477	10	0		AGAERN
CCC[C@@]1(CC)CCCC(=O)C1	238237509	574002899	/nfs/dbraw/zinc/00/28/99/574002899.db2.gz	XGGAHQBHPAHZIZ-NSHDSACASA-N	0	0	168.280	3.326	10	0		AGAERN
CCCC(=O)[C@H](C)c1cccc(F)c1	211792500	574002951	/nfs/dbraw/zinc/00/29/51/574002951.db2.gz	NBXPBLJMIJUEGV-SECBINFHSA-N	0	0	194.249	3.298	10	0		AGAERN
CCCC(=O)[C@H](C)c1cccc(C)c1	211792331	574002956	/nfs/dbraw/zinc/00/29/56/574002956.db2.gz	LPLOYECWMFPGMS-LLVKDONJSA-N	0	0	190.286	3.468	10	0		AGAERN
CCC1=C(CC)[C@H]2C(=O)CCC[C@H]12	238237867	574003830	/nfs/dbraw/zinc/00/38/30/574003830.db2.gz	QLWVFTCVEQPGQE-ZYHUDNBSSA-N	0	0	178.275	3.102	10	0		AGAERN
Nc1cc(-c2ccccc2Cl)co1	258200684	574003980	/nfs/dbraw/zinc/00/39/80/574003980.db2.gz	VEQPUDHNBDEKSN-UHFFFAOYSA-N	0	0	193.633	3.182	10	0		AGAERN
Cc1ccc(C(C)C)c([C@@H](C)O)c1	238237577	574004098	/nfs/dbraw/zinc/00/40/98/574004098.db2.gz	JMMADKYJDCBFGU-SNVBAGLBSA-N	0	0	178.275	3.172	10	0		AGAERN
CCCCC1(C)CCC(=O)CC1	238237691	574004236	/nfs/dbraw/zinc/00/42/36/574004236.db2.gz	WRMSPRMVYBDFOU-UHFFFAOYSA-N	0	0	168.280	3.326	10	0		AGAERN
CC[C@H](C)[C@H]1CCC[C@H](C(=O)OC)C1	259591387	574004274	/nfs/dbraw/zinc/00/42/74/574004274.db2.gz	LJGWXRMKXLBPIL-DCAQKATOSA-N	0	0	198.306	3.012	10	0		AGAERN
C1=C[C@@H]2c3ccccc3NC[C@H]2CC1	197869127	574004811	/nfs/dbraw/zinc/00/48/11/574004811.db2.gz	MSAPXSINAGEOOI-MNOVXSKESA-N	0	0	185.270	3.162	10	0		AGAERN
CCC[C@@H]1c2c(O)cccc2C[C@@H]1C	238239310	574004820	/nfs/dbraw/zinc/00/48/20/574004820.db2.gz	RWFXOKWFRTZLHP-ONGXEEELSA-N	0	0	190.286	3.468	10	0		AGAERN
CC1=C(C)[C@H](O)CC1=C1CCCCC1	238245446	574004834	/nfs/dbraw/zinc/00/48/34/574004834.db2.gz	FSOWOEKVWGMZGE-CYBMUJFWSA-N	0	0	192.302	3.348	10	0		AGAERN
CCC1=CCC(C)(C)[C@@H](O)C1(C)C	238239912	574005324	/nfs/dbraw/zinc/00/53/24/574005324.db2.gz	GAXWWIGSGLCSAC-SNVBAGLBSA-N	0	0	182.307	3.140	10	0		AGAERN
COc1cc(Cl)c(Cl)cc1C	104487155	574006796	/nfs/dbraw/zinc/00/67/96/574006796.db2.gz	AYBNATFYSUGYSV-UHFFFAOYSA-N	0	0	191.057	3.310	10	0		AGAERN
Cc1ccc(C)n1C[C@H]1CCCS1	87669880	574007254	/nfs/dbraw/zinc/00/72/54/574007254.db2.gz	ZDFQJUGFSGXSPK-LLVKDONJSA-N	0	0	195.331	3.001	10	0		AGAERN
CC1=C(C)[C@@H](O)CC1=C1CCCCC1	238245434	574007274	/nfs/dbraw/zinc/00/72/74/574007274.db2.gz	FSOWOEKVWGMZGE-ZDUSSCGKSA-N	0	0	192.302	3.348	10	0		AGAERN
O=C(C1CCCC1)[C@H]1CCCCS1	87680692	574007298	/nfs/dbraw/zinc/00/72/98/574007298.db2.gz	MSBXVFRNGVGPIT-SNVBAGLBSA-N	0	0	198.331	3.031	10	0		AGAERN
CC(C)(C)[C@@](C)(F)c1ccc(N)cc1	258199990	574007300	/nfs/dbraw/zinc/00/73/00/574007300.db2.gz	WSBGCEPJWKOYGQ-LBPRGKRZSA-N	0	0	195.281	3.500	10	0		AGAERN
CC1=C(C)C[C@@]2(C)[C@H](O)CCC[C@@H]2C1	238246366	574009224	/nfs/dbraw/zinc/00/92/24/574009224.db2.gz	MIYDSBOEXNHKCN-JHJVBQTASA-N	0	0	194.318	3.284	10	0		AGAERN
CCCCCc1c[nH]c(C)c1	238246913	574009392	/nfs/dbraw/zinc/00/93/92/574009392.db2.gz	WGYQKGPODDAQIE-UHFFFAOYSA-N	0	0	151.253	3.056	10	0		AGAERN
CC1=C(C)C[C@]2(C)C(=O)CC[C@@H]2C1	238246353	574009514	/nfs/dbraw/zinc/00/95/14/574009514.db2.gz	VKBHBNXSPKUKIF-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1ccccc2cccc1-2	111333874	574009604	/nfs/dbraw/zinc/00/96/04/574009604.db2.gz	RVJUDUADOMIBMH-UHFFFAOYSA-N	0	0	142.201	3.100	10	0		AGAERN
c1cc2ccc1CCCCCC2	111343441	574009645	/nfs/dbraw/zinc/00/96/45/574009645.db2.gz	CKGMOHWMULOYEG-UHFFFAOYSA-N	0	0	160.260	3.346	10	0		AGAERN
CC1=CCc2c[nH]c3cccc1c23	238245827	574009729	/nfs/dbraw/zinc/00/97/29/574009729.db2.gz	KQJVFXFFVGNRQR-UHFFFAOYSA-N	0	0	169.227	3.127	10	0		AGAERN
CCCCCc1cc(C)c[nH]1	238247247	574009741	/nfs/dbraw/zinc/00/97/41/574009741.db2.gz	QHWLOSDQSMTHNN-UHFFFAOYSA-N	0	0	151.253	3.056	10	0		AGAERN
CCCCC/C=C/Cl	111336749	574010781	/nfs/dbraw/zinc/01/07/81/574010781.db2.gz	CLFJXJXGJWCBSU-VOTSOKGWSA-N	0	0	132.634	3.319	10	0		AGAERN
CC1=C(C)C[C@]2(C)[C@H](O)CCC[C@@H]2C1	238246746	574010798	/nfs/dbraw/zinc/01/07/98/574010798.db2.gz	MIYDSBOEXNHKCN-UPJWGTAASA-N	0	0	194.318	3.284	10	0		AGAERN
CC(C)C=C1CCCC1	111343558	574011293	/nfs/dbraw/zinc/01/12/93/574011293.db2.gz	DEZUGIRFUVKPNW-UHFFFAOYSA-N	0	0	124.227	3.143	10	0		AGAERN
CC1=C(C)C[C@@]2(C)C(=O)CC[C@@H]2C1	238246741	574011376	/nfs/dbraw/zinc/01/13/76/574011376.db2.gz	VKBHBNXSPKUKIF-ZYHUDNBSSA-N	0	0	178.275	3.102	10	0		AGAERN
Fc1ccc(Cl)c(Cl)c1F	111340360	574011694	/nfs/dbraw/zinc/01/16/94/574011694.db2.gz	HXQWFROUEVBXFE-UHFFFAOYSA-N	0	0	182.984	3.272	10	0		AGAERN
CC1=CCc2c1[nH]c1ccccc21	238245809	574011697	/nfs/dbraw/zinc/01/16/97/574011697.db2.gz	NARIFZIQCIZFBW-UHFFFAOYSA-N	0	0	169.227	3.127	10	0		AGAERN
CC1=C2CCCC(=O)[C@]2(C)CC=C1	224798945	574012137	/nfs/dbraw/zinc/01/21/37/574012137.db2.gz	NAYDMZGOMVNLDA-GFCCVEGCSA-N	0	0	176.259	3.022	10	0		AGAERN
CCC[C@@H]1c2c(O)cccc2C[C@H]1C	238240458	574012844	/nfs/dbraw/zinc/01/28/44/574012844.db2.gz	RWFXOKWFRTZLHP-KOLCDFICSA-N	0	0	190.286	3.468	10	0		AGAERN
Cc1ccc(C(C)C)c2c1C(=O)CC2	104498190	574012992	/nfs/dbraw/zinc/01/29/92/574012992.db2.gz	JNRMHGYJSQVMDG-UHFFFAOYSA-N	0	0	188.270	3.247	10	0		AGAERN
CCc1c(C)ccc2c1C(=O)CCC2	104499268	574013332	/nfs/dbraw/zinc/01/33/32/574013332.db2.gz	BGOWEYXQBPYQJS-UHFFFAOYSA-N	0	0	188.270	3.076	10	0		AGAERN
CC(C)(C)c1cccc2c1C(=O)CC2	104496987	574013494	/nfs/dbraw/zinc/01/34/94/574013494.db2.gz	TUVYRJTXDSDYLT-UHFFFAOYSA-N	0	0	188.270	3.113	10	0		AGAERN
Cc1cc(C)c(-c2ccno2)cc1C	259273890	574014388	/nfs/dbraw/zinc/01/43/88/574014388.db2.gz	OZMJMRGYPDOKIV-UHFFFAOYSA-N	0	0	187.242	3.267	10	0		AGAERN
C=Cc1cc(Cl)cnc1Cl	209790603	574014776	/nfs/dbraw/zinc/01/47/76/574014776.db2.gz	ALWYTFYBNYXXGS-UHFFFAOYSA-N	0	0	174.030	3.031	10	0		AGAERN
CCCC(C)(C)C1CCC(O)CC1	238248002	574014799	/nfs/dbraw/zinc/01/47/99/574014799.db2.gz	NROJQSZEGXWXEI-UHFFFAOYSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCc1cccc2c1C(=O)CCC2	104498209	574014956	/nfs/dbraw/zinc/01/49/56/574014956.db2.gz	YOEWGOBBKPCRGG-UHFFFAOYSA-N	0	0	188.270	3.158	10	0		AGAERN
Cl/C=C/C=C(Cl)Cl	111379301	574014959	/nfs/dbraw/zinc/01/49/59/574014959.db2.gz	PUFQCNYOVQTFSS-HNQUOIGGSA-N	0	0	157.427	3.058	10	0		AGAERN
CCc1ccnc2[nH]c3ccccc3c12	205408479	574016516	/nfs/dbraw/zinc/01/65/16/574016516.db2.gz	MLVRUBJDWFCNHK-UHFFFAOYSA-N	0	0	196.253	3.279	10	0		AGAERN
CCOC(=N)C1CCCCCCC1	87690603	574017780	/nfs/dbraw/zinc/01/77/80/574017780.db2.gz	HAINCPSZBJEIPQ-UHFFFAOYSA-N	0	0	183.295	3.361	10	0		AGAERN
O=C(CC1CCC1)[C@@H]1CCCCS1	87701691	574018034	/nfs/dbraw/zinc/01/80/34/574018034.db2.gz	OIHDCYNGIDISMR-NSHDSACASA-N	0	0	198.331	3.031	10	0		AGAERN
O[C@H](C1CCCCCCC1)C1CC1	87690121	574018167	/nfs/dbraw/zinc/01/81/67/574018167.db2.gz	DAIZIXHDRKHQBE-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
CCc1ccc([C@H](O)CC)cc1CC	128085995	574018314	/nfs/dbraw/zinc/01/83/14/574018314.db2.gz	SELYPGMFYPMGLI-CYBMUJFWSA-N	0	0	192.302	3.255	10	0		AGAERN
O=C1CCCc2ccc(C(F)F)cc21	104508071	574020141	/nfs/dbraw/zinc/02/01/41/574020141.db2.gz	BHEAIVUQCPLAHF-UHFFFAOYSA-N	0	0	196.196	3.143	10	0		AGAERN
CCOC(=O)C(C)=C(C(C)C)C(C)C	388679945	574020229	/nfs/dbraw/zinc/02/02/29/574020229.db2.gz	AAZMKDSHXNODIY-UHFFFAOYSA-N	0	0	198.306	3.178	10	0		AGAERN
Nc1ccc([C@@H]2C[C@H]3CC[C@@H]2C3)cc1	104505502	574020377	/nfs/dbraw/zinc/02/03/77/574020377.db2.gz	FOMRWCZMUDUMSQ-NDMJEZRESA-N	0	0	187.286	3.172	10	0		AGAERN
CCC(CC)c1cc(Cl)on1	87723968	574021730	/nfs/dbraw/zinc/02/17/30/574021730.db2.gz	SRDSQQGPPIURBY-UHFFFAOYSA-N	0	0	173.643	3.232	10	0		AGAERN
O=C1CCCc2cc(C(F)F)ccc21	104512604	574021772	/nfs/dbraw/zinc/02/17/72/574021772.db2.gz	RZIWWPINNTYDDC-UHFFFAOYSA-N	0	0	196.196	3.143	10	0		AGAERN
Cc1cc(Cl)c2c(c1)C(=O)CCC2	104510279	574021848	/nfs/dbraw/zinc/02/18/48/574021848.db2.gz	RCAIVYIRYZUHEU-UHFFFAOYSA-N	0	0	194.661	3.167	10	0		AGAERN
CCCCC[C@@H](C)Nc1ccccn1	49099585	574021875	/nfs/dbraw/zinc/02/18/75/574021875.db2.gz	JICVVWAOLBGQOL-LLVKDONJSA-N	0	0	192.306	3.462	10	0		AGAERN
Clc1cc(CC2CCCCC2)no1	87724051	574022039	/nfs/dbraw/zinc/02/20/39/574022039.db2.gz	PEGLJMQZVKJRBN-UHFFFAOYSA-N	0	0	199.681	3.451	10	0		AGAERN
Clc1cc(C2CCCCC2)no1	87724016	574022042	/nfs/dbraw/zinc/02/20/42/574022042.db2.gz	MQPUDYOQFLMBKJ-UHFFFAOYSA-N	0	0	185.654	3.376	10	0		AGAERN
CCCCCc1cc(Cl)on1	87723962	574022262	/nfs/dbraw/zinc/02/22/62/574022262.db2.gz	OWVHCHHXICJUBS-UHFFFAOYSA-N	0	0	173.643	3.061	10	0		AGAERN
CC[C@H](C)Oc1ccc2[nH]ccc2c1	87723371	574022475	/nfs/dbraw/zinc/02/24/75/574022475.db2.gz	JMJUUVTZWWHDFA-VIFPVBQESA-N	0	0	189.258	3.345	10	0		AGAERN
CC[C@@H](C)Oc1ccc2[nH]ccc2c1	87723369	574022485	/nfs/dbraw/zinc/02/24/85/574022485.db2.gz	JMJUUVTZWWHDFA-SECBINFHSA-N	0	0	189.258	3.345	10	0		AGAERN
CCC[C@@H](C)c1cc(Cl)on1	87723999	574022857	/nfs/dbraw/zinc/02/28/57/574022857.db2.gz	JKABQIMZWAKWHU-ZCFIWIBFSA-N	0	0	173.643	3.232	10	0		AGAERN
C/C=C/COc1ccc2[nH]ccc2c1	87723399	574022891	/nfs/dbraw/zinc/02/28/91/574022891.db2.gz	SHTFWGVWPRXEBB-NSCUHMNNSA-N	0	0	187.242	3.123	10	0		AGAERN
CCCCCC(=O)[C@@]1(C)CCCCO1	87761451	574025111	/nfs/dbraw/zinc/02/51/11/574025111.db2.gz	DICQVSWBSFNEDY-GFCCVEGCSA-N	0	0	198.306	3.095	10	0		AGAERN
Oc1cc(F)ccc1C1CCCC1	259279865	574025243	/nfs/dbraw/zinc/02/52/43/574025243.db2.gz	AFPXEUPZHKEGTB-UHFFFAOYSA-N	0	0	180.222	3.189	10	0		AGAERN
Nc1cc(C2CCCCCCC2)on1	85278603	574025431	/nfs/dbraw/zinc/02/54/31/574025431.db2.gz	CNKMUZUYLTXNDT-UHFFFAOYSA-N	0	0	194.278	3.085	10	0		AGAERN
CC(C)C(=O)[C@@H]1CCC(C)(C)C1	87770727	574028117	/nfs/dbraw/zinc/02/81/17/574028117.db2.gz	GXGFYWHFMRRVLY-SECBINFHSA-N	0	0	168.280	3.038	10	0		AGAERN
CC1(C)CC[C@@H](Nc2cccnc2)C1	87769202	574028195	/nfs/dbraw/zinc/02/81/95/574028195.db2.gz	MLBYWZVMNYQYAT-SNVBAGLBSA-N	0	0	190.290	3.072	10	0		AGAERN
CC1(C)CC[C@H](Nc2cccnc2)C1	87769201	574028458	/nfs/dbraw/zinc/02/84/58/574028458.db2.gz	MLBYWZVMNYQYAT-JTQLQIEISA-N	0	0	190.290	3.072	10	0		AGAERN
CCC(CC)[C@]1(O)CCC(C)(C)C1	87773116	574029033	/nfs/dbraw/zinc/02/90/33/574029033.db2.gz	JBQPBPYQEDIRDD-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)CC[C@@]1(O)CCC(C)(C)C1	87773155	574029076	/nfs/dbraw/zinc/02/90/76/574029076.db2.gz	IOUKSUZBFGZIOA-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)C[C@@]1(O)CCC(C)(C)C1	87773247	574029206	/nfs/dbraw/zinc/02/92/06/574029206.db2.gz	SVVXHJUTCZHGEG-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
FCCNc1cccc2ccccc12	87774556	574029225	/nfs/dbraw/zinc/02/92/25/574029225.db2.gz	OLRCKARAFVUVRT-UHFFFAOYSA-N	0	0	189.233	3.221	10	0		AGAERN
CCCC[C@]1(O)CCC(C)(C)C1	87773198	574029254	/nfs/dbraw/zinc/02/92/54/574029254.db2.gz	RCRLSFCSQNGKTE-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
Cc1ccc(NCCF)c(Cl)c1	87774698	574029273	/nfs/dbraw/zinc/02/92/73/574029273.db2.gz	KNRCLUDSJWYSFA-UHFFFAOYSA-N	0	0	187.645	3.030	10	0		AGAERN
Cc1c(Cl)cccc1NCCF	87774577	574029348	/nfs/dbraw/zinc/02/93/48/574029348.db2.gz	DZAHLDPRYHIAIO-UHFFFAOYSA-N	0	0	187.645	3.030	10	0		AGAERN
CC(C)c1cccc(NCCF)c1	87774703	574029394	/nfs/dbraw/zinc/02/93/94/574029394.db2.gz	YEKZCOISZPGGHU-UHFFFAOYSA-N	0	0	181.254	3.191	10	0		AGAERN
CC1(C)CC[C@](O)(c2ccsc2)C1	87773222	574029414	/nfs/dbraw/zinc/02/94/14/574029414.db2.gz	XZLNWFKBBAVOTJ-LLVKDONJSA-N	0	0	196.315	3.146	10	0		AGAERN
CC1(C)CC[C@](O)(c2cccs2)C1	87773126	574029520	/nfs/dbraw/zinc/02/95/20/574029520.db2.gz	SHMLNEJOQIXBOP-LLVKDONJSA-N	0	0	196.315	3.146	10	0		AGAERN
CC1(C)CC[C@@](O)(c2ccsc2)C1	87773223	574029537	/nfs/dbraw/zinc/02/95/37/574029537.db2.gz	XZLNWFKBBAVOTJ-NSHDSACASA-N	0	0	196.315	3.146	10	0		AGAERN
Cc1ccc(NCCF)cc1Cl	87774555	574029663	/nfs/dbraw/zinc/02/96/63/574029663.db2.gz	IPPALMNWOJKLCL-UHFFFAOYSA-N	0	0	187.645	3.030	10	0		AGAERN
CCCc1cc(O)ccc1C(C)C	143804125	574032042	/nfs/dbraw/zinc/03/20/42/574032042.db2.gz	INHGXWAHPCWNHX-UHFFFAOYSA-N	0	0	178.275	3.468	10	0		AGAERN
CC(C)(C)c1ccccc1NCCF	87775211	574032071	/nfs/dbraw/zinc/03/20/71/574032071.db2.gz	HEHWGMPHVYDHGV-UHFFFAOYSA-N	0	0	195.281	3.366	10	0		AGAERN
CCCc1sccc1NCC	143739732	574032185	/nfs/dbraw/zinc/03/21/85/574032185.db2.gz	VJPJLSHQWGCSRM-UHFFFAOYSA-N	0	0	169.293	3.132	10	0		AGAERN
CCC(C)(CC)c1ccc(N)cc1	143782403	574032239	/nfs/dbraw/zinc/03/22/39/574032239.db2.gz	MOEVBEBAFBMXKK-UHFFFAOYSA-N	0	0	177.291	3.347	10	0		AGAERN
CCC(CC)C[C@H](CC)[C@H](C)O	128285154	574032299	/nfs/dbraw/zinc/03/22/99/574032299.db2.gz	BPBGTUTYDIWBMX-ONGXEEELSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@@]1(C)C=Cc2ccccc2N1	143757071	574032417	/nfs/dbraw/zinc/03/24/17/574032417.db2.gz	AVSGANROQXWPIY-LBPRGKRZSA-N	0	0	173.259	3.294	10	0		AGAERN
CC1(C)CCC(C)(C)CC(=O)C1	197929733	574038820	/nfs/dbraw/zinc/03/88/20/574038820.db2.gz	HBBFOAGGBIKAQV-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1cc(F)cc(C(F)F)c1	112731897	574041296	/nfs/dbraw/zinc/04/12/96/574041296.db2.gz	UBYVQRSFCFOEOW-UHFFFAOYSA-N	0	0	160.138	3.072	10	0		AGAERN
CC(C)(C)Nc1ncc(Cl)s1	85351955	574043847	/nfs/dbraw/zinc/04/38/47/574043847.db2.gz	QVHGZXMIHGQDRX-UHFFFAOYSA-N	0	0	190.699	3.007	10	0		AGAERN
c1ccc2c(c1)N=C1CCCC[C@H]12	113207752	574047457	/nfs/dbraw/zinc/04/74/57/574047457.db2.gz	KPBVXYFKWJANIL-JTQLQIEISA-N	0	0	171.243	3.430	10	0		AGAERN
CC(C)=Cc1ccc(O)c(C)c1	113246916	574047459	/nfs/dbraw/zinc/04/74/59/574047459.db2.gz	YEZZCFBNLKKOCM-UHFFFAOYSA-N	0	0	162.232	3.124	10	0		AGAERN
Cc1ccc(Oc2ccncc2)cc1	113241510	574047568	/nfs/dbraw/zinc/04/75/68/574047568.db2.gz	SOHVMBQOQNOYCV-UHFFFAOYSA-N	0	0	185.226	3.182	10	0		AGAERN
CNc1cccc(SC(C)(C)C)n1	87850043	574047579	/nfs/dbraw/zinc/04/75/79/574047579.db2.gz	KJYDNSQQHQABMT-UHFFFAOYSA-N	0	0	196.319	3.014	10	0		AGAERN
CCc1cnc(-c2ccsc2)s1	113222217	574047720	/nfs/dbraw/zinc/04/77/20/574047720.db2.gz	MNFRHKKVZYMMAR-UHFFFAOYSA-N	0	0	195.312	3.434	10	0		AGAERN
Cc1cc2cccc(F)c2s1	113209765	574048118	/nfs/dbraw/zinc/04/81/18/574048118.db2.gz	OAEGPTIPKRETEB-UHFFFAOYSA-N	0	0	166.220	3.349	10	0		AGAERN
CCC[C@H](C)Nc1nccc(C)c1F	1161716827	760822108	/nfs/dbraw/zinc/82/21/08/760822108.db2.gz	NMXKEZGLVHHPEV-VIFPVBQESA-N	0	0	196.269	3.130	10	0		AGAERN
Cc1cc(NCC(C)(C)C)cnc1C	1161639253	760819017	/nfs/dbraw/zinc/81/90/17/760819017.db2.gz	NHUUTBXLUGQZDU-UHFFFAOYSA-N	0	0	192.306	3.156	10	0		AGAERN
CCc1cccc(NCC(C)(C)C)n1	1161642236	760819217	/nfs/dbraw/zinc/81/92/17/760819217.db2.gz	SNIJPZFTPUIHPN-UHFFFAOYSA-N	0	0	192.306	3.102	10	0		AGAERN
CC(C)CNc1cccc(C(C)C)n1	1161647144	760819951	/nfs/dbraw/zinc/81/99/51/760819951.db2.gz	LLYMCSQJRVJZPS-UHFFFAOYSA-N	0	0	192.306	3.273	10	0		AGAERN
CC(C)CNc1ccc(CF)cc1	1161647034	760819959	/nfs/dbraw/zinc/81/99/59/760819959.db2.gz	CMYFSAOTOLNOKD-UHFFFAOYSA-N	0	0	181.254	3.224	10	0		AGAERN
FC(F)CNc1ccccc1C1CC1	1161815706	760823496	/nfs/dbraw/zinc/82/34/96/760823496.db2.gz	NICUPVZZVMNYND-UHFFFAOYSA-N	0	0	197.228	3.241	10	0		AGAERN
CCCCNc1ccc(CF)cc1	1162204176	760827607	/nfs/dbraw/zinc/82/76/07/760827607.db2.gz	PXOPQSKJHHFOFV-UHFFFAOYSA-N	0	0	181.254	3.368	10	0		AGAERN
c1ccc(SCCCC2CC2)nc1	1164518564	760855905	/nfs/dbraw/zinc/85/59/05/760855905.db2.gz	MRFCVDPVOXFBOA-UHFFFAOYSA-N	0	0	193.315	3.364	10	0		AGAERN
C(CSC1CCC1)CC1CC1	1166211854	760859708	/nfs/dbraw/zinc/85/97/08/760859708.db2.gz	NDKZUYWSCYNNKG-UHFFFAOYSA-N	0	0	170.321	3.462	10	0		AGAERN
CC[C@H](C)Nc1ccc(CF)cc1	1168000205	760888616	/nfs/dbraw/zinc/88/86/16/760888616.db2.gz	RPWQWNAPEVNZSP-VIFPVBQESA-N	0	0	181.254	3.367	10	0		AGAERN
CC[C@H](C)Nc1cccc(C(C)C)n1	1168000354	760888690	/nfs/dbraw/zinc/88/86/90/760888690.db2.gz	UIFYAJHHNCRRKF-JTQLQIEISA-N	0	0	192.306	3.415	10	0		AGAERN
CC[C@@H](C)Nc1ccc(CF)cc1	1168000202	760888920	/nfs/dbraw/zinc/88/89/20/760888920.db2.gz	RPWQWNAPEVNZSP-SECBINFHSA-N	0	0	181.254	3.367	10	0		AGAERN
CC[C@@H](C)Nc1cccc(C(C)C)n1	1168000355	760889758	/nfs/dbraw/zinc/88/97/58/760889758.db2.gz	UIFYAJHHNCRRKF-SNVBAGLBSA-N	0	0	192.306	3.415	10	0		AGAERN
CCCNc1ccccc1C1CC1	1168136300	760894758	/nfs/dbraw/zinc/89/47/58/760894758.db2.gz	BBTBKVOTABTEOK-UHFFFAOYSA-N	0	0	175.275	3.386	10	0		AGAERN
CON(CCCC1CC1)CC(C)(C)C	1170062458	761000401	/nfs/dbraw/zinc/00/04/01/761000401.db2.gz	TZURPLYOJUFXFN-UHFFFAOYSA-N	0	0	199.338	3.086	10	0		AGAERN
CCCCCCN1OC2CCC1CC2	1175486722	761401769	/nfs/dbraw/zinc/40/17/69/761401769.db2.gz	YGASCVBYMGLDMN-UHFFFAOYSA-N	0	0	197.322	3.125	10	0		AGAERN
CCON(CC)[C@@H]1C=CCCCCC1	1175483546	761402194	/nfs/dbraw/zinc/40/21/94/761402194.db2.gz	CLPCQYLCPPSOQX-GFCCVEGCSA-N	0	0	197.322	3.149	10	0		AGAERN
CCON(CC)[C@H]1C=CCCCCC1	1175483547	761407051	/nfs/dbraw/zinc/40/70/51/761407051.db2.gz	CLPCQYLCPPSOQX-LBPRGKRZSA-N	0	0	197.322	3.149	10	0		AGAERN
CCN1c2ccc(Cl)cc2C[C@@H]1C	1177016463	761447151	/nfs/dbraw/zinc/44/71/51/761447151.db2.gz	YTOTWVFIIIPFNB-QMMMGPOBSA-N	0	0	195.693	3.111	10	0		AGAERN
CCN1c2ccc(Cl)cc2C[C@H]1C	1177016460	761450150	/nfs/dbraw/zinc/45/01/50/761450150.db2.gz	YTOTWVFIIIPFNB-MRVPVSSYSA-N	0	0	195.693	3.111	10	0		AGAERN
CCC(CC)Nc1cnc(C)c(C)c1	1183527891	761549539	/nfs/dbraw/zinc/54/95/39/761549539.db2.gz	XWCFQLRBTPDXLU-UHFFFAOYSA-N	0	0	192.306	3.299	10	0		AGAERN
CSc1ccc2c(c1)CC(C)(C)O2	1189852976	761594362	/nfs/dbraw/zinc/59/43/62/761594362.db2.gz	NNBXVVZKWOQWSB-UHFFFAOYSA-N	0	0	194.299	3.122	10	0		AGAERN
Cl/C=C\CSCc1ccccn1	1189832117	761595160	/nfs/dbraw/zinc/59/51/60/761595160.db2.gz	KLOQRGKUOWYAMV-HYXAFXHYSA-N	0	0	199.706	3.067	10	0		AGAERN
Cl/C=C/CSCc1ccccn1	1189832069	761596759	/nfs/dbraw/zinc/59/67/59/761596759.db2.gz	KLOQRGKUOWYAMV-HWKANZROSA-N	0	0	199.706	3.067	10	0		AGAERN
CCN(CC=C(C)C)c1ccccc1	1191937738	761607457	/nfs/dbraw/zinc/60/74/57/761607457.db2.gz	DRNHOMUBLBXSCG-UHFFFAOYSA-N	0	0	189.302	3.479	10	0		AGAERN
CCCN(c1ccccc1)C1CCC1	1196868705	761705656	/nfs/dbraw/zinc/70/56/56/761705656.db2.gz	AXLWSKMJHPETSI-UHFFFAOYSA-N	0	0	189.302	3.456	10	0		AGAERN
CCCN1c2ccccc2CC1(C)C	1196623650	761709920	/nfs/dbraw/zinc/70/99/20/761709920.db2.gz	RWYWUZAWCPSJRX-UHFFFAOYSA-N	0	0	189.302	3.238	10	0		AGAERN
Cc1cccc(O[C@@H]2C=CCC2)c1	1225241980	764295426	/nfs/dbraw/zinc/29/54/26/764295426.db2.gz	NUYMGGBKPPOGOG-LLVKDONJSA-N	0	0	174.243	3.092	10	0		AGAERN
Cc1cccc(O[C@H]2C=CCC2)c1	1225241981	764295576	/nfs/dbraw/zinc/29/55/76/764295576.db2.gz	NUYMGGBKPPOGOG-NSHDSACASA-N	0	0	174.243	3.092	10	0		AGAERN
CC[C@@H](C)Oc1cnc(Cl)c(C)c1	1225822444	764333409	/nfs/dbraw/zinc/33/34/09/764333409.db2.gz	LHVGAXRDXZYCNU-MRVPVSSYSA-N	0	0	199.681	3.221	10	0		AGAERN
CC[C@H](C)Oc1cnc(Cl)c(C)c1	1225822445	764335309	/nfs/dbraw/zinc/33/53/09/764335309.db2.gz	LHVGAXRDXZYCNU-QMMMGPOBSA-N	0	0	199.681	3.221	10	0		AGAERN
CC(C)c1ccccc1-c1cn[nH]c1	1240241491	764842170	/nfs/dbraw/zinc/84/21/70/764842170.db2.gz	RXXKCETVQLMQNA-UHFFFAOYSA-N	0	0	186.258	3.200	10	0		AGAERN
C=Cc1ccccc1-c1cnn(CC)c1	1240648801	764874701	/nfs/dbraw/zinc/87/47/01/764874701.db2.gz	HLRSSWPDNMSPLI-UHFFFAOYSA-N	0	0	198.269	3.213	10	0		AGAERN
C=Cc1ccc(-c2cnn(CC)c2)cc1	1240651080	764875723	/nfs/dbraw/zinc/87/57/23/764875723.db2.gz	RZPLGDGOGKBETE-UHFFFAOYSA-N	0	0	198.269	3.213	10	0		AGAERN
C=Cc1cccc(-c2cnn(CC)c2)c1	1240648686	764876580	/nfs/dbraw/zinc/87/65/80/764876580.db2.gz	BNLPUFBBKYNDDD-UHFFFAOYSA-N	0	0	198.269	3.213	10	0		AGAERN
Cc1c(F)cccc1-c1nccs1	1240729219	764881145	/nfs/dbraw/zinc/88/11/45/764881145.db2.gz	PKYBXXPOIUCEOK-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
C=Cc1ccc(OC(F)F)cc1F	1240830335	764893708	/nfs/dbraw/zinc/89/37/08/764893708.db2.gz	VTODQFUPLMDJKI-UHFFFAOYSA-N	0	0	188.148	3.070	10	0		AGAERN
C=Cc1ccc2c(c1)CCC(C)(C)O2	1240831788	764895906	/nfs/dbraw/zinc/89/59/06/764895906.db2.gz	UYDKRFUSUAVHMK-UHFFFAOYSA-N	0	0	188.270	3.433	10	0		AGAERN
C=Cc1ccc(OCC)cc1C	1240831635	764898217	/nfs/dbraw/zinc/89/82/17/764898217.db2.gz	OPXIBMFVVCPVPK-UHFFFAOYSA-N	0	0	162.232	3.037	10	0		AGAERN
CCc1ccccc1-c1cscn1	1241890432	764994081	/nfs/dbraw/zinc/99/40/81/764994081.db2.gz	BCRCENAOZRFNJX-UHFFFAOYSA-N	0	0	189.283	3.373	10	0		AGAERN
CCC(=O)CC1=CCC(C)(C)CC1	1249921552	765369898	/nfs/dbraw/zinc/36/98/98/765369898.db2.gz	VVAXDVXNQKDQBN-UHFFFAOYSA-N	0	0	180.291	3.492	10	0		AGAERN
CCc1c(F)cccc1SC	1249932468	765383647	/nfs/dbraw/zinc/38/36/47/765383647.db2.gz	OUISEFLRRLNBJN-UHFFFAOYSA-N	0	0	170.252	3.110	10	0		AGAERN
CC(C)CCc1cc(F)ccc1O	1249963740	765422770	/nfs/dbraw/zinc/42/27/70/765422770.db2.gz	DYBXJAYYEWLUGT-UHFFFAOYSA-N	0	0	182.238	3.120	10	0		AGAERN
Cc1ccc(O)cc1CCC(C)C	1249965363	765424556	/nfs/dbraw/zinc/42/45/56/765424556.db2.gz	MXFLTLBBIBHHNK-UHFFFAOYSA-N	0	0	178.275	3.289	10	0		AGAERN
CC(C)CCc1cc(O)cc(F)c1	1249964889	765425808	/nfs/dbraw/zinc/42/58/08/765425808.db2.gz	UABFODIGFFZPGH-UHFFFAOYSA-N	0	0	182.238	3.120	10	0		AGAERN
Cc1cc(O)cc(CCC(C)C)c1	1249965464	765426531	/nfs/dbraw/zinc/42/65/31/765426531.db2.gz	UYSYMYPSIRPVPU-UHFFFAOYSA-N	0	0	178.275	3.289	10	0		AGAERN
CC(C)CCc1cc(O)ccc1F	1249964507	765426743	/nfs/dbraw/zinc/42/67/43/765426743.db2.gz	JTGCKFBMXHZREH-UHFFFAOYSA-N	0	0	182.238	3.120	10	0		AGAERN
CC(C)CCc1cccc(O)c1F	1249965536	765427083	/nfs/dbraw/zinc/42/70/83/765427083.db2.gz	ZPWGBJUPWOEOTC-UHFFFAOYSA-N	0	0	182.238	3.120	10	0		AGAERN
CCCCc1csc(C(C)=O)c1	1249980336	765438145	/nfs/dbraw/zinc/43/81/45/765438145.db2.gz	YIEYFIQLAWIOSM-UHFFFAOYSA-N	0	0	182.288	3.293	10	0		AGAERN
CC(C)(C)Oc1ncccc1C1CC1	1250033278	765447402	/nfs/dbraw/zinc/44/74/02/765447402.db2.gz	ZDVAIUDECRXNJB-UHFFFAOYSA-N	0	0	191.274	3.136	10	0		AGAERN
c1ccc2c(CC3CC3)ccnc2c1	1250036632	765451427	/nfs/dbraw/zinc/45/14/27/765451427.db2.gz	YQTWCSSAQKKTBL-UHFFFAOYSA-N	0	0	183.254	3.187	10	0		AGAERN
CC(=O)c1cc(CC2CCC2)cs1	1250142605	766972387	/nfs/dbraw/zinc/97/23/87/766972387.db2.gz	ISYQAYDZTFKNSD-UHFFFAOYSA-N	0	0	194.299	3.293	10	0		AGAERN
CCc1nc2cc(Cl)c(C)cc2[nH]1	1250425641	767051205	/nfs/dbraw/zinc/05/12/05/767051205.db2.gz	LOKRJBULJOFNBG-UHFFFAOYSA-N	0	0	194.665	3.087	10	0		AGAERN
CCCCc1cc(O)ccc1C	20231085	560094051	/nfs/dbraw/zinc/09/40/51/560094051.db2.gz	OKLNGCVEHOKJIY-UHFFFAOYSA-N	0	0	164.248	3.043	10	0	biogenic,in-vitro	AGAERN
CCC(C)(CC)C(C)C	2018303	560185721	/nfs/dbraw/zinc/18/57/21/560185721.db2.gz	MMASVVOQIKCFJZ-UHFFFAOYSA-N	0	0	128.259	3.469	10	0	biogenic,in-vitro	AGAERN
CC/C=C\C/C=C\C/C=C\CCO	4641380	560198793	/nfs/dbraw/zinc/19/87/93/560198793.db2.gz	OFAUAWIRDOCHFP-PDBXOOCHSA-N	0	0	180.291	3.228	10	0	in-vitro	AGAERN
CC(C)=CCc1occc1C	5783246	560203134	/nfs/dbraw/zinc/20/31/34/560203134.db2.gz	UTSGPHXOHJSDBC-UHFFFAOYSA-N	0	0	150.221	3.097	10	0	biogenic,in-vitro	AGAERN
CCCC(CCC)NCC(F)(F)F	19807548	1169059872	/nfs/dbraw/zinc/05/98/72/1169059872.db2.gz	RVGMCBSGNMTYTH-UHFFFAOYSA-N	0	0	197.244	3.107	10	0		AGAERN
CCCNc1ccc(CCC)cc1	20557093	1169060764	/nfs/dbraw/zinc/06/07/64/1169060764.db2.gz	UGRIYDFULCPSIO-UHFFFAOYSA-N	0	0	177.291	3.461	10	0		AGAERN
CCCCc1ccccc1C(C)=O	33506032	1169064242	/nfs/dbraw/zinc/06/42/42/1169064242.db2.gz	PLPLNIPMXUXDTF-UHFFFAOYSA-N	0	0	176.259	3.232	10	0		AGAERN
CCCCc1ccc(OC)cc1OC	32162439	1169064444	/nfs/dbraw/zinc/06/44/44/1169064444.db2.gz	ABWZWFPWDXRRFS-UHFFFAOYSA-N	0	0	194.274	3.046	10	0		AGAERN
CCCc1ccc2cccnc2c1	32187979	1169064660	/nfs/dbraw/zinc/06/46/60/1169064660.db2.gz	COTJHRWDWDQJRQ-UHFFFAOYSA-N	0	0	171.243	3.187	10	0		AGAERN
CCc1cccc2ccsc12	32189438	1169065198	/nfs/dbraw/zinc/06/51/98/1169065198.db2.gz	SZNQHLOLUMHNIM-UHFFFAOYSA-N	0	0	162.257	3.464	10	0		AGAERN
CCCCc1c(OC)cccc1OC	32162420	1169065253	/nfs/dbraw/zinc/06/52/53/1169065253.db2.gz	HKRXKZXKXUTCQU-UHFFFAOYSA-N	0	0	194.274	3.046	10	0		AGAERN
CCc1cc(-c2ccccc2)ccc1N	33639625	1169065717	/nfs/dbraw/zinc/06/57/17/1169065717.db2.gz	UDFWKBMSUBGIKE-UHFFFAOYSA-N	0	0	197.281	3.498	10	0		AGAERN
Cc1ccc(Nc2cccnc2)cc1	32222569	1169065748	/nfs/dbraw/zinc/06/57/48/1169065748.db2.gz	VSMARCBHVFVKKN-UHFFFAOYSA-N	0	0	184.242	3.134	10	0		AGAERN
Cc1ccc(Cc2ccccc2)cc1N	32009556	1169066504	/nfs/dbraw/zinc/06/65/04/1169066504.db2.gz	RLBKNNOVCUUUGB-UHFFFAOYSA-N	0	0	197.281	3.168	10	0		AGAERN
CCCCc1ccccc1OC	32162413	1169066732	/nfs/dbraw/zinc/06/67/32/1169066732.db2.gz	ASJCVVGLGXVRGQ-UHFFFAOYSA-N	0	0	164.248	3.038	10	0		AGAERN
CCc1ccc(O)c(C(C)C)c1	28767118	1169066924	/nfs/dbraw/zinc/06/69/24/1169066924.db2.gz	HFXZXGVECOWQGS-UHFFFAOYSA-N	0	0	164.248	3.078	10	0		AGAERN
C=Cc1ccc(SC)cc1	32190458	1169066968	/nfs/dbraw/zinc/06/69/68/1169066968.db2.gz	GNYMDDZMQJEHQU-UHFFFAOYSA-N	0	0	150.246	3.052	10	0		AGAERN
Cc1ccc(-c2ncccc2C)cc1	33605248	1169067262	/nfs/dbraw/zinc/06/72/62/1169067262.db2.gz	RYRDKQYQAMRCHF-UHFFFAOYSA-N	0	0	183.254	3.365	10	0		AGAERN
CCC/C=C/CC(=O)C(C)(C)C	33841007	1169067953	/nfs/dbraw/zinc/06/79/53/1169067953.db2.gz	ONUWIVNZWHVOGZ-BQYQJAHWSA-N	0	0	168.280	3.348	10	0		AGAERN
Cc1sccc1C(C)C	33952123	1169068135	/nfs/dbraw/zinc/06/81/35/1169068135.db2.gz	WGCPSSWNXRAZOH-UHFFFAOYSA-N	0	0	140.251	3.180	10	0		AGAERN
c1ccc2ncc(-c3ccoc3)cc2c1	34077823	1169068454	/nfs/dbraw/zinc/06/84/54/1169068454.db2.gz	YJZHTWSWUMTIJS-UHFFFAOYSA-N	0	0	195.221	3.495	10	0		AGAERN
CC[C@H](C)c1cccc(OC)c1	34203997	1169068748	/nfs/dbraw/zinc/06/87/48/1169068748.db2.gz	VWYYEPCUSMYQPJ-VIFPVBQESA-N	0	0	164.248	3.209	10	0		AGAERN
CCO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	33961594	1169068766	/nfs/dbraw/zinc/06/87/66/1169068766.db2.gz	XZAREUVKALEUIS-QJPTWQEYSA-N	0	0	184.323	3.484	10	0		AGAERN
CC[C@H](C)c1ccsc1	33952127	1169068803	/nfs/dbraw/zinc/06/88/03/1169068803.db2.gz	BJFMQAVZFWVZJS-ZETCQYMHSA-N	0	0	140.251	3.262	10	0		AGAERN
CCc1cccc(OC(F)(F)F)c1	34155859	1169069047	/nfs/dbraw/zinc/06/90/47/1169069047.db2.gz	IBMCSFMDJXAVCS-UHFFFAOYSA-N	0	0	190.164	3.148	10	0		AGAERN
Cc1ccc(O)cc1Cc1ccccc1	34109248	1169069068	/nfs/dbraw/zinc/06/90/68/1169069068.db2.gz	CDMPKYXSYJDMAP-UHFFFAOYSA-N	0	0	198.265	3.291	10	0		AGAERN
CCCc1cscc1C	33952138	1169069480	/nfs/dbraw/zinc/06/94/80/1169069480.db2.gz	UMGBLEQUPHIBPK-UHFFFAOYSA-N	0	0	140.251	3.009	10	0		AGAERN
COCCc1ccc2sccc2c1	34188021	1169069490	/nfs/dbraw/zinc/06/94/90/1169069490.db2.gz	NALFZLKVEHBIGT-UHFFFAOYSA-N	0	0	192.283	3.090	10	0		AGAERN
Cc1cscc1C(C)C	33952124	1169069570	/nfs/dbraw/zinc/06/95/70/1169069570.db2.gz	ZMOXVLDQIPLUDA-UHFFFAOYSA-N	0	0	140.251	3.180	10	0		AGAERN
CC[C@@H](C)c1cccc(OC)c1	34203996	1169070320	/nfs/dbraw/zinc/07/03/20/1169070320.db2.gz	VWYYEPCUSMYQPJ-SECBINFHSA-N	0	0	164.248	3.209	10	0		AGAERN
CC[C@@H](C)c1ccsc1	33952126	1169070691	/nfs/dbraw/zinc/07/06/91/1169070691.db2.gz	BJFMQAVZFWVZJS-SSDOTTSWSA-N	0	0	140.251	3.262	10	0		AGAERN
Cc1ccc(-c2nc(C)cc(C)n2)cc1	34263672	1169070847	/nfs/dbraw/zinc/07/08/47/1169070847.db2.gz	JIYCVQLIRJPABS-UHFFFAOYSA-N	0	0	198.269	3.069	10	0		AGAERN
CCC(CC)Cc1ccc(O)cc1	34347260	1169071213	/nfs/dbraw/zinc/07/12/13/1169071213.db2.gz	UKJWAHQMLOLAJT-UHFFFAOYSA-N	0	0	178.275	3.371	10	0		AGAERN
COc1cccc(CC(C)(C)C)c1	34410199	1169071423	/nfs/dbraw/zinc/07/14/23/1169071423.db2.gz	GMYZXSUHBAJAPU-UHFFFAOYSA-N	0	0	178.275	3.284	10	0		AGAERN
CC(=O)c1ccc(CCC(C)C)cc1	34562539	1169071502	/nfs/dbraw/zinc/07/15/02/1169071502.db2.gz	ZGGVTPMFKDMMKH-UHFFFAOYSA-N	0	0	190.286	3.478	10	0		AGAERN
C1=C[C@H](OCc2ccccc2)CCC1	34541027	1169071903	/nfs/dbraw/zinc/07/19/03/1169071903.db2.gz	UBYHKDVMKZGYES-ZDUSSCGKSA-N	0	0	188.270	3.312	10	0		AGAERN
CCCCc1cccc(C(C)=O)c1	34530194	1169071928	/nfs/dbraw/zinc/07/19/28/1169071928.db2.gz	BXHWPFSKIOSJHS-UHFFFAOYSA-N	0	0	176.259	3.232	10	0		AGAERN
CCCO[C@H](CC#N)c1ccccc1	34484641	1169072566	/nfs/dbraw/zinc/07/25/66/1169072566.db2.gz	VCVNPOITTQMMNF-GFCCVEGCSA-N	0	0	189.258	3.068	10	0		AGAERN
CCCO[C@@H](CC#N)c1ccccc1	34484640	1169072595	/nfs/dbraw/zinc/07/25/95/1169072595.db2.gz	VCVNPOITTQMMNF-LBPRGKRZSA-N	0	0	189.258	3.068	10	0		AGAERN
C1=C[C@@H](OCc2ccccc2)CCC1	34541029	1169072625	/nfs/dbraw/zinc/07/26/25/1169072625.db2.gz	UBYHKDVMKZGYES-CYBMUJFWSA-N	0	0	188.270	3.312	10	0		AGAERN
COc1ncccc1-c1ccc(C)cc1	35243878	1169074778	/nfs/dbraw/zinc/07/47/78/1169074778.db2.gz	IGOYWDYMGIXMEP-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
Cc1occc1-c1ccccc1	38281561	1169080172	/nfs/dbraw/zinc/08/01/72/1169080172.db2.gz	KSXJDWPQYWPMDT-UHFFFAOYSA-N	0	0	158.200	3.255	10	0		AGAERN
CCO[C@@H]1C[C@H](C)CC[C@H]1C(C)C	38222354	1169080428	/nfs/dbraw/zinc/08/04/28/1169080428.db2.gz	XZAREUVKALEUIS-GRYCIOLGSA-N	0	0	184.323	3.484	10	0		AGAERN
CCCc1ccccc1OCC	39222181	1169081901	/nfs/dbraw/zinc/08/19/01/1169081901.db2.gz	JOKQVDKUGLMFLU-UHFFFAOYSA-N	0	0	164.248	3.038	10	0		AGAERN
CCc1ccccc1-c1ccccc1N	39254974	1169081960	/nfs/dbraw/zinc/08/19/60/1169081960.db2.gz	BOPNCTOGLOSZHP-UHFFFAOYSA-N	0	0	197.281	3.498	10	0		AGAERN
Cc1cc(Cc2ccccc2)cc(C)n1	39194016	1169082350	/nfs/dbraw/zinc/08/23/50/1169082350.db2.gz	MPBOXQBEXZMRLQ-UHFFFAOYSA-N	0	0	197.281	3.289	10	0		AGAERN
Cc1ccncc1CCc1ccccc1	39233036	1169082385	/nfs/dbraw/zinc/08/23/85/1169082385.db2.gz	AWLFVFGRSPUANH-UHFFFAOYSA-N	0	0	197.281	3.175	10	0		AGAERN
CNc1ccccc1-c1ccccc1O	39075272	1169082520	/nfs/dbraw/zinc/08/25/20/1169082520.db2.gz	ZOQDDOVCJXPQSR-UHFFFAOYSA-N	0	0	199.253	3.101	10	0		AGAERN
Cc1cc(C)cc(Nc2ccccn2)c1	38338976	1169082528	/nfs/dbraw/zinc/08/25/28/1169082528.db2.gz	FSTHGDCGMMTVTK-UHFFFAOYSA-N	0	0	198.269	3.442	10	0		AGAERN
CNc1ccccc1-c1ccc(O)cc1	39018352	1169083177	/nfs/dbraw/zinc/08/31/77/1169083177.db2.gz	NETFHPVRBVMYEN-UHFFFAOYSA-N	0	0	199.253	3.101	10	0		AGAERN
CCc1cccnc1Nc1ccccc1	39198876	1169083281	/nfs/dbraw/zinc/08/32/81/1169083281.db2.gz	QRCIBGNOWUPBOM-UHFFFAOYSA-N	0	0	198.269	3.388	10	0		AGAERN
Cc1ccc(Cc2ccc(O)cc2)cc1	38892064	1169083619	/nfs/dbraw/zinc/08/36/19/1169083619.db2.gz	GPLFFBUSCBMSNI-UHFFFAOYSA-N	0	0	198.265	3.291	10	0		AGAERN
CC[C@H](C)c1cc(OC)ccc1OC	38761656	1169083774	/nfs/dbraw/zinc/08/37/74/1169083774.db2.gz	CRPDVUBVRNFSCZ-VIFPVBQESA-N	0	0	194.274	3.217	10	0		AGAERN
Cc1cccc(Cc2ccccc2O)c1	38892060	1169084385	/nfs/dbraw/zinc/08/43/85/1169084385.db2.gz	OPPDGWIXIAVUSI-UHFFFAOYSA-N	0	0	198.265	3.291	10	0		AGAERN
COc1ccc(CC2=CCCC2)cc1	38811873	1169084735	/nfs/dbraw/zinc/08/47/35/1169084735.db2.gz	JJHCRNYHUVNAFH-UHFFFAOYSA-N	0	0	188.270	3.348	10	0		AGAERN
CCC[C@@H](C)Oc1ccccc1	39168259	1169085127	/nfs/dbraw/zinc/08/51/27/1169085127.db2.gz	LIJRCJHHPRMIEX-SNVBAGLBSA-N	0	0	164.248	3.254	10	0		AGAERN
Cc1cc(CC(C)(C)C)cc(C)n1	39642404	1169086404	/nfs/dbraw/zinc/08/64/04/1169086404.db2.gz	CKGXUHDBNWFRKN-UHFFFAOYSA-N	0	0	177.291	3.287	10	0		AGAERN
COc1ccc(C(C)C)cc1C	39641591	1169086556	/nfs/dbraw/zinc/08/65/56/1169086556.db2.gz	VGUIAFSYIXYAPP-UHFFFAOYSA-N	0	0	164.248	3.127	10	0		AGAERN
CCC[C@H](C)Oc1ccccc1	39647844	1169086779	/nfs/dbraw/zinc/08/67/79/1169086779.db2.gz	LIJRCJHHPRMIEX-JTQLQIEISA-N	0	0	164.248	3.254	10	0		AGAERN
COc1ccccc1-c1ccncc1C	39311032	1169086908	/nfs/dbraw/zinc/08/69/08/1169086908.db2.gz	PCBMPWFMRQADED-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
COc1ccc(-c2cccnc2)c(C)c1	47214232	1169090584	/nfs/dbraw/zinc/09/05/84/1169090584.db2.gz	BIDAQUQFTXSAED-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
COc1cc(C)ncc1-c1ccccc1	47211934	1169090650	/nfs/dbraw/zinc/09/06/50/1169090650.db2.gz	KAZSLLCQUBUXBC-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
CCCOc1ccccc1CCC	39261837	1169087752	/nfs/dbraw/zinc/08/77/52/1169087752.db2.gz	OYFZWCPVBBFKLX-UHFFFAOYSA-N	0	0	178.275	3.428	10	0		AGAERN
Cc1ccc(Nc2ccccc2)c(O)c1	39365819	1169087779	/nfs/dbraw/zinc/08/77/79/1169087779.db2.gz	BTACNYLRMDCRRD-UHFFFAOYSA-N	0	0	199.253	3.444	10	0		AGAERN
Cc1ccc(Nc2ccccc2O)cc1	39378561	1169087949	/nfs/dbraw/zinc/08/79/49/1169087949.db2.gz	RSLDKVHHFSHOQR-UHFFFAOYSA-N	0	0	199.253	3.444	10	0		AGAERN
c1ccc(-c2ccnc3[nH]ccc23)cc1	40420869	1169088093	/nfs/dbraw/zinc/08/80/93/1169088093.db2.gz	HZJDBCYRQSJNLZ-UHFFFAOYSA-N	0	0	194.237	3.230	10	0		AGAERN
COc1ncc(C)cc1-c1ccccc1	47211930	1169090573	/nfs/dbraw/zinc/09/05/73/1169090573.db2.gz	JIMASYDPWBQLLA-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
COc1ccc(C)cc1-c1cccnc1	47214208	1169090958	/nfs/dbraw/zinc/09/09/58/1169090958.db2.gz	NZMXRNDGCHYKOL-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
COc1ccc(-c2ccccc2)c(C)n1	47211936	1169091041	/nfs/dbraw/zinc/09/10/41/1169091041.db2.gz	USZIICFNMKUTPN-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
COc1ccc(-c2cccnc2)cc1C	47214226	1169091098	/nfs/dbraw/zinc/09/10/98/1169091098.db2.gz	BSBBCAIINMTYHE-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
COc1cc(C)ccc1-c1ccncc1	47214217	1169091145	/nfs/dbraw/zinc/09/11/45/1169091145.db2.gz	SXEOUEFQHPCRPE-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
COc1nc(C)ccc1-c1ccccc1	47211932	1169091277	/nfs/dbraw/zinc/09/12/77/1169091277.db2.gz	UMUKNRSGGNGAJK-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
COc1cc(-c2ccncc2)ccc1C	47214240	1169091370	/nfs/dbraw/zinc/09/13/70/1169091370.db2.gz	PYNJMOZGRQLIHD-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
COc1ccc(-c2ccncc2)c(C)c1	47214235	1169091390	/nfs/dbraw/zinc/09/13/90/1169091390.db2.gz	XLRFOZYDNXNXTL-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
COc1cc(-c2cccnc2)ccc1C	47214238	1169091467	/nfs/dbraw/zinc/09/14/67/1169091467.db2.gz	KXDJRUNQAKOAEX-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
COc1cc(C)cc(-c2cccnc2)c1	47214220	1169091493	/nfs/dbraw/zinc/09/14/93/1169091493.db2.gz	NVYBPNQETWNPMJ-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
COc1cc(C)cc(-c2ccncc2)c1	47214223	1169091562	/nfs/dbraw/zinc/09/15/62/1169091562.db2.gz	CNLFROZCBHZGGY-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
COc1cc(C)ccc1-c1cccnc1	47214214	1169091608	/nfs/dbraw/zinc/09/16/08/1169091608.db2.gz	ZHRJNNZVMHFODS-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
CC[C@@H](C)c1ccccc1F	59882002	1169098580	/nfs/dbraw/zinc/09/85/80/1169098580.db2.gz	ULLMHPXTZQWGTG-MRVPVSSYSA-N	0	0	152.212	3.339	10	0		AGAERN
CCCc1ccc(C)cc1C	80344901	1169103826	/nfs/dbraw/zinc/10/38/26/1169103826.db2.gz	HPAXKQMKDWCLGU-UHFFFAOYSA-N	0	0	148.249	3.256	10	0		AGAERN
CC[C@@H](C)c1cc(OC)cc(OC)c1	59997210	1169098026	/nfs/dbraw/zinc/09/80/26/1169098026.db2.gz	BDPYPZNUYAZAMF-SECBINFHSA-N	0	0	194.274	3.217	10	0		AGAERN
CC[C@H](C)c1cc(OC)cc(OC)c1	59997211	1169098158	/nfs/dbraw/zinc/09/81/58/1169098158.db2.gz	BDPYPZNUYAZAMF-VIFPVBQESA-N	0	0	194.274	3.217	10	0		AGAERN
CCc1ccc(OC)c2ccccc12	60249324	1169098788	/nfs/dbraw/zinc/09/87/88/1169098788.db2.gz	MCOSCCSVPFLZOD-UHFFFAOYSA-N	0	0	186.254	3.411	10	0		AGAERN
COc1ccnc(-c2ccccc2C)c1	59968726	1169099016	/nfs/dbraw/zinc/09/90/16/1169099016.db2.gz	LIKPEMAPDYHIAR-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
COc1cccc(C(C)C)c1C	60147413	1169099396	/nfs/dbraw/zinc/09/93/96/1169099396.db2.gz	VLALIZFXVWENNV-UHFFFAOYSA-N	0	0	164.248	3.127	10	0		AGAERN
Cc1cccc(-c2nccs2)c1C	60056003	1169099837	/nfs/dbraw/zinc/09/98/37/1169099837.db2.gz	VWHDKDFNWRCQCB-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
c1cc(-c2ccsc2)co1	59901648	1169100686	/nfs/dbraw/zinc/10/06/86/1169100686.db2.gz	XPBHLMONDLBMPF-UHFFFAOYSA-N	0	0	150.202	3.008	10	0		AGAERN
CC[C@H](C)c1ccccc1F	59882005	1169100860	/nfs/dbraw/zinc/10/08/60/1169100860.db2.gz	ULLMHPXTZQWGTG-QMMMGPOBSA-N	0	0	152.212	3.339	10	0		AGAERN
C=CCCCCCOC(C)C	79788388	1169102773	/nfs/dbraw/zinc/10/27/73/1169102773.db2.gz	MJRQSDPWQGCTDS-UHFFFAOYSA-N	0	0	156.269	3.158	10	0		AGAERN
CCc1ccc(Oc2ccccc2)nc1	80274380	1169103660	/nfs/dbraw/zinc/10/36/60/1169103660.db2.gz	YXJMWDXGXIGNNN-UHFFFAOYSA-N	0	0	199.253	3.436	10	0		AGAERN
CC[C@@H](C)c1ccc(OC)c(OC)c1	80169761	1169103839	/nfs/dbraw/zinc/10/38/39/1169103839.db2.gz	HHSCLIALLLJCEU-SECBINFHSA-N	0	0	194.274	3.217	10	0		AGAERN
CSc1cccc(C)c1Cl	79983115	1169103864	/nfs/dbraw/zinc/10/38/64/1169103864.db2.gz	VJBPDKWYSZGVPN-UHFFFAOYSA-N	0	0	172.680	3.370	10	0		AGAERN
CC[C@H](C)c1ccc(OC)c(OC)c1	80169762	1169103917	/nfs/dbraw/zinc/10/39/17/1169103917.db2.gz	HHSCLIALLLJCEU-VIFPVBQESA-N	0	0	194.274	3.217	10	0		AGAERN
CC(C)(C)c1cccc(F)c1	79162901	1169104734	/nfs/dbraw/zinc/10/47/34/1169104734.db2.gz	SEYVXKNLOLHDRF-UHFFFAOYSA-N	0	0	152.212	3.123	10	0		AGAERN
Fc1ccc(C2=CCCC2)cc1	79328639	1169104931	/nfs/dbraw/zinc/10/49/31/1169104931.db2.gz	WFQZFUSKFDJLAO-UHFFFAOYSA-N	0	0	162.207	3.393	10	0		AGAERN
CCCCc1cc(Cl)ccc1N	80545446	1169105377	/nfs/dbraw/zinc/10/53/77/1169105377.db2.gz	GQSBYQWJRGTQAH-UHFFFAOYSA-N	0	0	183.682	3.265	10	0		AGAERN
CC(C)=CCC(C)(C)C	80687350	1169105605	/nfs/dbraw/zinc/10/56/05/1169105605.db2.gz	HRQAGBJHQCEBBY-UHFFFAOYSA-N	0	0	126.243	3.389	10	0		AGAERN
C#CCc1ccc(Cl)cc1Cl	82013891	1169105789	/nfs/dbraw/zinc/10/57/89/1169105789.db2.gz	HNNQVNLVWCLBCR-UHFFFAOYSA-N	0	0	185.053	3.169	10	0		AGAERN
CCCc1cn(C)c2ccccc12	81173764	1169106865	/nfs/dbraw/zinc/10/68/65/1169106865.db2.gz	BEUHJTKJRCWYRK-UHFFFAOYSA-N	0	0	173.259	3.131	10	0		AGAERN
CCC[C@@H](C)Oc1ccc(F)cc1	81137620	1169107286	/nfs/dbraw/zinc/10/72/86/1169107286.db2.gz	RAGNTDRUFCHGIB-SECBINFHSA-N	0	0	182.238	3.393	10	0		AGAERN
CCCCc1ccsc1C	81135508	1169107527	/nfs/dbraw/zinc/10/75/27/1169107527.db2.gz	VSAXDPXEKAIBIE-UHFFFAOYSA-N	0	0	154.278	3.399	10	0		AGAERN
CCC[C@H](C)Oc1ccc(F)cc1	81137621	1169107709	/nfs/dbraw/zinc/10/77/09/1169107709.db2.gz	RAGNTDRUFCHGIB-VIFPVBQESA-N	0	0	182.238	3.393	10	0		AGAERN
Cc1ccc(C2CCC2)cc1	82182617	1169109991	/nfs/dbraw/zinc/10/99/91/1169109991.db2.gz	HSURIBOPHUVNMS-UHFFFAOYSA-N	0	0	146.233	3.263	10	0		AGAERN
CC(C)c1cc2ccc(F)cc2[nH]1	83963867	1169116583	/nfs/dbraw/zinc/11/65/83/1169116583.db2.gz	BJEKZEZCJDWMQX-UHFFFAOYSA-N	0	0	177.222	3.430	10	0		AGAERN
Cc1ccc2[nH]c(C3CC3)cc2c1	83963500	1169117849	/nfs/dbraw/zinc/11/78/49/1169117849.db2.gz	YFJHJZNDGCUKSS-UHFFFAOYSA-N	0	0	171.243	3.354	10	0		AGAERN
CC(C)/C=C/c1ccccc1	88244147	1169125273	/nfs/dbraw/zinc/12/52/73/1169125273.db2.gz	CEBRPXLXYCFYGU-CMDGGOBGSA-N	0	0	146.233	3.356	10	0		AGAERN
C#CCc1cc(Cl)cc(Cl)c1	88263234	1169126555	/nfs/dbraw/zinc/12/65/55/1169126555.db2.gz	KMCKBMPMOUPRBG-UHFFFAOYSA-N	0	0	185.053	3.169	10	0		AGAERN
CCc1ccccc1-c1cccc(N)c1	90161030	1169126673	/nfs/dbraw/zinc/12/66/73/1169126673.db2.gz	GIXRPTCZHIHGPP-UHFFFAOYSA-N	0	0	197.281	3.498	10	0		AGAERN
C#CCc1c(Cl)cccc1Cl	88263227	1169126920	/nfs/dbraw/zinc/12/69/20/1169126920.db2.gz	XMLKKNUFKXBSGZ-UHFFFAOYSA-N	0	0	185.053	3.169	10	0		AGAERN
Cc1c(F)ccc(Cl)c1Cl	90558049	1169127474	/nfs/dbraw/zinc/12/74/74/1169127474.db2.gz	BNDBNWZIQPVJGZ-UHFFFAOYSA-N	0	0	179.021	3.441	10	0		AGAERN
c1ccc(-c2cccc3c2COC3)cc1	90751513	1169127517	/nfs/dbraw/zinc/12/75/17/1169127517.db2.gz	HBFQMSGBLXZHTD-UHFFFAOYSA-N	0	0	196.249	3.384	10	0		AGAERN
Fc1ccccc1C1=CCCC1	90558679	1169128099	/nfs/dbraw/zinc/12/80/99/1169128099.db2.gz	VMFNJIUCHBXFAT-UHFFFAOYSA-N	0	0	162.207	3.393	10	0		AGAERN
CC[C@H](C)c1ccc2[nH]c(C)nc2c1	95924006	1169128571	/nfs/dbraw/zinc/12/85/71/1169128571.db2.gz	ZTNDATOLCMJXFK-QMMMGPOBSA-N	0	0	188.274	3.385	10	0		AGAERN
CC(C)Oc1cc(O)ccc1C(C)C	95710651	1169128717	/nfs/dbraw/zinc/12/87/17/1169128717.db2.gz	BUSFEVDYGOYDFL-UHFFFAOYSA-N	0	0	194.274	3.303	10	0		AGAERN
CC(C)Oc1cccc(OC2CC2)c1	95721197	1169129018	/nfs/dbraw/zinc/12/90/18/1169129018.db2.gz	DDGFTRNFVHEDNT-UHFFFAOYSA-N	0	0	192.258	3.015	10	0		AGAERN
CC(C)Oc1ccccc1OC1CC1	95720937	1169129053	/nfs/dbraw/zinc/12/90/53/1169129053.db2.gz	XGVZTOCYTREAIH-UHFFFAOYSA-N	0	0	192.258	3.015	10	0		AGAERN
C/C=C(\C)c1cccc(F)c1	95922100	1169129072	/nfs/dbraw/zinc/12/90/72/1169129072.db2.gz	CLLPQZXTWMZRLT-FPYGCLRLSA-N	0	0	150.196	3.249	10	0		AGAERN
CCc1cccc(C)c1OC1CC1	95722164	1169129073	/nfs/dbraw/zinc/12/90/73/1169129073.db2.gz	OKSTTWXDVDKOQZ-UHFFFAOYSA-N	0	0	176.259	3.099	10	0		AGAERN
CC(C)c1ccc(O)cc1Cl	95710425	1169129149	/nfs/dbraw/zinc/12/91/49/1169129149.db2.gz	JFHHZQIDWABJOL-UHFFFAOYSA-N	0	0	170.639	3.169	10	0		AGAERN
Cc1ccc(OC2CC2)c(Cl)c1	95721922	1169129174	/nfs/dbraw/zinc/12/91/74/1169129174.db2.gz	OAYQJFKNQGOLEN-UHFFFAOYSA-N	0	0	182.650	3.190	10	0		AGAERN
CC(C)Oc1ccc(OC2CC2)cc1	95727952	1169129232	/nfs/dbraw/zinc/12/92/32/1169129232.db2.gz	IITAYOCJDXPWDF-UHFFFAOYSA-N	0	0	192.258	3.015	10	0		AGAERN
C=Cc1cccc2occc12	95628573	1169129670	/nfs/dbraw/zinc/12/96/70/1169129670.db2.gz	VCWFHQXQSGDNJJ-UHFFFAOYSA-N	0	0	144.173	3.076	10	0		AGAERN
Cc1cc(Cl)cc(OC2CC2)c1	95720963	1169129788	/nfs/dbraw/zinc/12/97/88/1169129788.db2.gz	HDQMBTWGPGLURL-UHFFFAOYSA-N	0	0	182.650	3.190	10	0		AGAERN
Cc1ccc(Cl)cc1OC1CC1	95742121	1169129868	/nfs/dbraw/zinc/12/98/68/1169129868.db2.gz	ATEWTIQZJCYZSZ-UHFFFAOYSA-N	0	0	182.650	3.190	10	0		AGAERN
CC[C@@H](C)c1ccc2[nH]c(C)nc2c1	95924005	1169129878	/nfs/dbraw/zinc/12/98/78/1169129878.db2.gz	ZTNDATOLCMJXFK-MRVPVSSYSA-N	0	0	188.274	3.385	10	0		AGAERN
Cc1ccc(OC2CC2)cc1Cl	95721411	1169129921	/nfs/dbraw/zinc/12/99/21/1169129921.db2.gz	SRXXTTHSIYMSQK-UHFFFAOYSA-N	0	0	182.650	3.190	10	0		AGAERN
CC(C)c1cc(O)cc(Cl)c1	95710342	1169129954	/nfs/dbraw/zinc/12/99/54/1169129954.db2.gz	RIXWTIIPMOFQSR-UHFFFAOYSA-N	0	0	170.639	3.169	10	0		AGAERN
Cc1cc(Cl)ccc1OC1CC1	95742219	1169130104	/nfs/dbraw/zinc/13/01/04/1169130104.db2.gz	KNSWSNGRCAGESN-UHFFFAOYSA-N	0	0	182.650	3.190	10	0		AGAERN
CCc1ccc(Cl)c(OC2CC2)c1	95720716	1169130128	/nfs/dbraw/zinc/13/01/28/1169130128.db2.gz	UWCJYORBZPSBTN-UHFFFAOYSA-N	0	0	196.677	3.444	10	0		AGAERN
CC(C)c1ccc(OC2CC2)cc1	95725329	1169130363	/nfs/dbraw/zinc/13/03/63/1169130363.db2.gz	QXBMUWGWCWTBSS-UHFFFAOYSA-N	0	0	176.259	3.351	10	0		AGAERN
CC(C)Oc1c(O)cccc1C(C)C	95710555	1169130483	/nfs/dbraw/zinc/13/04/83/1169130483.db2.gz	YISHTYLNORVSRO-UHFFFAOYSA-N	0	0	194.274	3.303	10	0		AGAERN
Cc1cccc(Cl)c1OC1CC1	95724832	1169130691	/nfs/dbraw/zinc/13/06/91/1169130691.db2.gz	GCDVEPCXDCJLNB-UHFFFAOYSA-N	0	0	182.650	3.190	10	0		AGAERN
CC(C)c1c(O)cccc1Cl	95710292	1169131059	/nfs/dbraw/zinc/13/10/59/1169131059.db2.gz	ZTTHIHPIIIRMSZ-UHFFFAOYSA-N	0	0	170.639	3.169	10	0		AGAERN
CCCCc1cccc(OC)c1OC	96321200	1169132250	/nfs/dbraw/zinc/13/22/50/1169132250.db2.gz	TYEIKLOYVMBOAQ-UHFFFAOYSA-N	0	0	194.274	3.046	10	0		AGAERN
Cc1cccc(O[C@H](C)C(C)C)c1	98203836	1169132771	/nfs/dbraw/zinc/13/27/71/1169132771.db2.gz	MUDWVDVNDUEYCB-LLVKDONJSA-N	0	0	178.275	3.418	10	0		AGAERN
Clc1cccc(OC2CCC2)c1	96029190	1169132796	/nfs/dbraw/zinc/13/27/96/1169132796.db2.gz	RZUJXBLLXKNVGI-UHFFFAOYSA-N	0	0	182.650	3.271	10	0		AGAERN
Cc1cc(-c2cscc2C)ccn1	306328430	673915983	/nfs/dbraw/zinc/91/59/83/673915983.db2.gz	NLHVEEZWOZVQJI-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
CCCCCCC(=O)N(C)[C@@H](C)CC	90215857	673916709	/nfs/dbraw/zinc/91/67/09/673916709.db2.gz	GSPVRHCCUALHOH-NSHDSACASA-N	0	0	199.338	3.214	10	0		AGAERN
CC(=O)c1c(C)cccc1NC(C)C	306446399	673916714	/nfs/dbraw/zinc/91/67/14/673916714.db2.gz	UUYFGHDVKXCKNG-UHFFFAOYSA-N	0	0	191.274	3.018	10	0		AGAERN
CSCSc1cccc(F)c1	307204332	673918234	/nfs/dbraw/zinc/91/82/34/673918234.db2.gz	FQVNDJZFNAGYBA-UHFFFAOYSA-N	0	0	188.292	3.238	10	0		AGAERN
COc1ccccc1-c1ccc(C)cn1	104393530	1169139290	/nfs/dbraw/zinc/13/92/90/1169139290.db2.gz	OTESJFVZYLNQKH-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
Cc1cccc(-c2nc(C)cc(C)n2)c1	104457585	1169139673	/nfs/dbraw/zinc/13/96/73/1169139673.db2.gz	IQQDFNVFWHIZNM-UHFFFAOYSA-N	0	0	198.269	3.069	10	0		AGAERN
C=Cc1cnc(-c2ccc(C)cc2)nc1	104855959	1169139699	/nfs/dbraw/zinc/13/96/99/1169139699.db2.gz	QXBDWQKRRCUEKV-UHFFFAOYSA-N	0	0	196.253	3.095	10	0		AGAERN
Cc1cc(C)nc(-c2ccccc2C)n1	104457581	1169139975	/nfs/dbraw/zinc/13/99/75/1169139975.db2.gz	AMMIIOWTFRAHAJ-UHFFFAOYSA-N	0	0	198.269	3.069	10	0		AGAERN
Cc1cc(Cl)ncc1OCC(C)C	307443047	673920216	/nfs/dbraw/zinc/92/02/16/673920216.db2.gz	BAAPQSYCIBZRHQ-UHFFFAOYSA-N	0	0	199.681	3.078	10	0		AGAERN
COc1ccccc1-c1cncc(C)c1	104396635	1169140192	/nfs/dbraw/zinc/14/01/92/1169140192.db2.gz	VNWJCFXQXVLJAS-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
CCCC[C@H](C)OC(=O)c1ccco1	38325229	673920310	/nfs/dbraw/zinc/92/03/10/673920310.db2.gz	JAGIFDWBZBGRGH-VIFPVBQESA-N	0	0	196.246	3.015	10	0		AGAERN
CC(C)=CCCC(C)C	111344469	1169145165	/nfs/dbraw/zinc/14/51/65/1169145165.db2.gz	JDJYGSMZGYTCML-UHFFFAOYSA-N	0	0	126.243	3.389	10	0		AGAERN
CC(C)CC1=CCCC1	111343459	1169145428	/nfs/dbraw/zinc/14/54/28/1169145428.db2.gz	AVBOQKCRSALLCN-UHFFFAOYSA-N	0	0	124.227	3.143	10	0		AGAERN
CCCc1cc(C)cc(C)c1	111341202	1169145830	/nfs/dbraw/zinc/14/58/30/1169145830.db2.gz	NBICXWXPZRNMPF-UHFFFAOYSA-N	0	0	148.249	3.256	10	0	in-vitro	AGAERN
Cc1ccc(O[C@H](C)C(C)C)cc1	113247157	1169146984	/nfs/dbraw/zinc/14/69/84/1169146984.db2.gz	YWQIIPQDDNFLQD-LLVKDONJSA-N	0	0	178.275	3.418	10	0		AGAERN
Cc1cccc(Nc2ccccc2)n1	113351632	1169147286	/nfs/dbraw/zinc/14/72/86/1169147286.db2.gz	AHSPOVNPXMDIEL-UHFFFAOYSA-N	0	0	184.242	3.134	10	0		AGAERN
CCOCSc1cccc(C)c1	308141879	673926959	/nfs/dbraw/zinc/92/69/59/673926959.db2.gz	HUWSCXXEONCHMK-UHFFFAOYSA-N	0	0	182.288	3.081	10	0		AGAERN
Nc1ccc(C2=CCCCC2)c(F)c1	113366157	1169147545	/nfs/dbraw/zinc/14/75/45/1169147545.db2.gz	YRXXIKUVCMRGRW-UHFFFAOYSA-N	0	0	191.249	3.365	10	0		AGAERN
Cc1ccc(C(C)C)c(F)c1	113080706	1169148012	/nfs/dbraw/zinc/14/80/12/1169148012.db2.gz	AOSUJOJEKIDMFZ-UHFFFAOYSA-N	0	0	152.212	3.258	10	0		AGAERN
COc1ccccc1CC(C)(C)C	113055723	1169148064	/nfs/dbraw/zinc/14/80/64/1169148064.db2.gz	NLKKUMWNFZFZEC-UHFFFAOYSA-N	0	0	178.275	3.284	10	0		AGAERN
Cc1ccc(C(C)C)cc1F	113080734	1169148143	/nfs/dbraw/zinc/14/81/43/1169148143.db2.gz	FVVPJPAISNHAAD-UHFFFAOYSA-N	0	0	152.212	3.258	10	0		AGAERN
CCc1ccc(OC(C)C)c(F)c1	112940259	1169148359	/nfs/dbraw/zinc/14/83/59/1169148359.db2.gz	GPMOQNMGGOYQFQ-UHFFFAOYSA-N	0	0	182.238	3.175	10	0		AGAERN
C=Cc1ccccc1C(C)C	113014064	1169148779	/nfs/dbraw/zinc/14/87/79/1169148779.db2.gz	YBHWIVKIQYJYOH-UHFFFAOYSA-N	0	0	146.233	3.453	10	0		AGAERN
Cc1ccc(O[C@@H](C)C(C)C)cc1	113247158	1169148892	/nfs/dbraw/zinc/14/88/92/1169148892.db2.gz	YWQIIPQDDNFLQD-NSHDSACASA-N	0	0	178.275	3.418	10	0		AGAERN
Cc1cc(C(C)C)ccc1F	113080698	1169148851	/nfs/dbraw/zinc/14/88/51/1169148851.db2.gz	OARHOAIFBBGSLM-UHFFFAOYSA-N	0	0	152.212	3.258	10	0		AGAERN
CCc1ccc2sc(C)nc2c1	113889563	1169149443	/nfs/dbraw/zinc/14/94/43/1169149443.db2.gz	BQLVCDVQJCKKFC-UHFFFAOYSA-N	0	0	177.272	3.167	10	0		AGAERN
C=C(c1ccccc1)c1cccc(O)c1	114448059	1169152114	/nfs/dbraw/zinc/15/21/14/1169152114.db2.gz	WGMYGRJOPSQUIV-UHFFFAOYSA-N	0	0	196.249	3.454	10	0		AGAERN
CC[C@@H](C)c1cccc(F)c1	114574453	1169153078	/nfs/dbraw/zinc/15/30/78/1169153078.db2.gz	GWMLQHUKHGNRAS-MRVPVSSYSA-N	0	0	152.212	3.339	10	0		AGAERN
Cc1ccc(OC(F)(F)F)c(F)c1	114809071	1169153903	/nfs/dbraw/zinc/15/39/03/1169153903.db2.gz	MQOQQTDEMVLGDA-UHFFFAOYSA-N	0	0	194.127	3.033	10	0		AGAERN
CC[C@H](C)c1cccc(F)c1	114574456	1169154161	/nfs/dbraw/zinc/15/41/61/1169154161.db2.gz	GWMLQHUKHGNRAS-QMMMGPOBSA-N	0	0	152.212	3.339	10	0		AGAERN
CCC(C)(C)C(=O)OCC(C)(C)C	39017925	673933753	/nfs/dbraw/zinc/93/37/53/673933753.db2.gz	FHLKNFHDRFWHPV-UHFFFAOYSA-N	0	0	186.295	3.012	10	0		AGAERN
C=Cc1ccc(F)cc1C(F)(F)F	115302699	1169156424	/nfs/dbraw/zinc/15/64/24/1169156424.db2.gz	GUWPGOSTFOMXNO-UHFFFAOYSA-N	0	0	190.139	3.488	10	0		AGAERN
CCc1ccc(-c2cccnc2)cc1	116694042	1169156982	/nfs/dbraw/zinc/15/69/82/1169156982.db2.gz	YXSXEOMUGYPWNN-UHFFFAOYSA-N	0	0	183.254	3.311	10	0		AGAERN
Cc1ccc(N(C)CCC(C)C)cc1	725806111	673938187	/nfs/dbraw/zinc/93/81/87/673938187.db2.gz	ATOKMVNOATXFJN-UHFFFAOYSA-N	0	0	191.318	3.477	10	0		AGAERN
CCSCCCC(C)(F)F	219208795	673938547	/nfs/dbraw/zinc/93/85/47/673938547.db2.gz	PDVKDIQXSUCLNY-UHFFFAOYSA-N	0	0	168.252	3.175	10	0		AGAERN
COc1cc(Cl)ccc1C(C)C	117500202	1169159605	/nfs/dbraw/zinc/15/96/05/1169159605.db2.gz	DSQWCYFYTLMYJD-UHFFFAOYSA-N	0	0	184.666	3.472	10	0		AGAERN
CCCSCc1ncc(C)s1	159205458	673942134	/nfs/dbraw/zinc/94/21/34/673942134.db2.gz	CKYURHRXGYESIA-UHFFFAOYSA-N	0	0	187.333	3.095	10	0		AGAERN
CCCSC/C(Cl)=C\Cl	307793634	673943046	/nfs/dbraw/zinc/94/30/46/673943046.db2.gz	CBZHLKNRFBIPAU-GQCTYLIASA-N	0	0	185.119	3.449	10	0		AGAERN
CCCCSCCSCC	32163136	673951025	/nfs/dbraw/zinc/95/10/25/673951025.db2.gz	AYKPPPQPUFFULV-UHFFFAOYSA-N	0	0	178.366	3.273	10	0		AGAERN
Cc1cccc(N)c1Nc1ccccc1	125549359	1169172582	/nfs/dbraw/zinc/17/25/82/1169172582.db2.gz	FVOSFVQLBNRADV-UHFFFAOYSA-N	0	0	198.269	3.321	10	0		AGAERN
CC(C)n1ccc(C2CCCC2)n1	127551256	1169176074	/nfs/dbraw/zinc/17/60/74/1169176074.db2.gz	SNCWHQNZUNZZEL-UHFFFAOYSA-N	0	0	178.279	3.122	10	0		AGAERN
CC[C@H](C)Oc1ccc(F)cc1C	129315810	1169177338	/nfs/dbraw/zinc/17/73/38/1169177338.db2.gz	DJWANNOHQBIGSA-VIFPVBQESA-N	0	0	182.238	3.311	10	0		AGAERN
CC[C@@H](C)Oc1ccc(F)cc1C	129315617	1169177476	/nfs/dbraw/zinc/17/74/76/1169177476.db2.gz	DJWANNOHQBIGSA-SECBINFHSA-N	0	0	182.238	3.311	10	0		AGAERN
CC(C)(C)C(=O)CC1=CCCCC1	128215701	1169179984	/nfs/dbraw/zinc/17/99/84/1169179984.db2.gz	LMDUPEYURNORFU-UHFFFAOYSA-N	0	0	180.291	3.492	10	0		AGAERN
Cc1cc(C)c2nc(C3CC3)[nH]c2c1	131111323	1169181697	/nfs/dbraw/zinc/18/16/97/1169181697.db2.gz	WXSJGHWJXJSSBL-UHFFFAOYSA-N	0	0	186.258	3.057	10	0		AGAERN
CCCCSCc1ncc(C)o1	41392954	673961495	/nfs/dbraw/zinc/96/14/95/673961495.db2.gz	CHDIRGBIAHSRPX-UHFFFAOYSA-N	0	0	185.292	3.016	10	0		AGAERN
CC(C)(C)CCNc1cccc(N)c1	129944840	1169182571	/nfs/dbraw/zinc/18/25/71/1169182571.db2.gz	VCNXJNBOAMCVBD-UHFFFAOYSA-N	0	0	192.306	3.117	10	0		AGAERN
COC(=O)C=C(CC(C)C)CC(C)C	163858504	673965410	/nfs/dbraw/zinc/96/54/10/673965410.db2.gz	ILVLUPMBXDKRFO-UHFFFAOYSA-N	0	0	198.306	3.178	10	0		AGAERN
CCCCOC(=O)[C@@H](C)CC(C)C	166073006	673966345	/nfs/dbraw/zinc/96/63/45/673966345.db2.gz	WXLYGDVHKHMNCA-JTQLQIEISA-N	0	0	186.295	3.012	10	0		AGAERN
CCCCOC(=O)[C@H](C)CC(C)C	166073122	673966443	/nfs/dbraw/zinc/96/64/43/673966443.db2.gz	WXLYGDVHKHMNCA-SNVBAGLBSA-N	0	0	186.295	3.012	10	0		AGAERN
CC(C)(C)COC(=O)C1=CCCCC1	166826375	673967577	/nfs/dbraw/zinc/96/75/77/673967577.db2.gz	MBXPEPNRTLLWOZ-UHFFFAOYSA-N	0	0	196.290	3.076	10	0		AGAERN
CCCCOC(=O)[C@H]1CCCC1(C)C	228873659	673971032	/nfs/dbraw/zinc/97/10/32/673971032.db2.gz	BPOXVAFECCUSHJ-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
CCCCOC(=O)[C@@H]1CCCC1(C)C	228873649	673971068	/nfs/dbraw/zinc/97/10/68/673971068.db2.gz	BPOXVAFECCUSHJ-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
Fc1ccc(O[C@H]2C=CCCC2)cc1	136283773	1169193229	/nfs/dbraw/zinc/19/32/29/1169193229.db2.gz	SLRWMYMGXGGNAG-NSHDSACASA-N	0	0	192.233	3.313	10	0		AGAERN
C=Cc1cccc2c1CCCC2	137399064	1169193982	/nfs/dbraw/zinc/19/39/82/1169193982.db2.gz	HTZQBXGHRSZYEU-UHFFFAOYSA-N	0	0	158.244	3.208	10	0		AGAERN
CCc1cc(C)ccc1Cl	137391264	1169194075	/nfs/dbraw/zinc/19/40/75/1169194075.db2.gz	BLCHBUOTUOVJDB-UHFFFAOYSA-N	0	0	154.640	3.211	10	0		AGAERN
CCCC[C@H](C)OC(=O)CC(C)C	32167588	673973380	/nfs/dbraw/zinc/97/33/80/673973380.db2.gz	JPFNSHCQRCLUHR-JTQLQIEISA-N	0	0	186.295	3.154	10	0		AGAERN
Cc1cc(N)ccc1Cc1ccccc1	137185193	1169194215	/nfs/dbraw/zinc/19/42/15/1169194215.db2.gz	IQUPCNMLYRVPSC-UHFFFAOYSA-N	0	0	197.281	3.168	10	0		AGAERN
CCCC[C@@H](C)OC(=O)CC(C)C	32167585	673973432	/nfs/dbraw/zinc/97/34/32/673973432.db2.gz	JPFNSHCQRCLUHR-SNVBAGLBSA-N	0	0	186.295	3.154	10	0		AGAERN
O=C(CC1CC1)OC1CCCCCC1	914710475	673973629	/nfs/dbraw/zinc/97/36/29/673973629.db2.gz	UFYONOOIDDEIHC-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
CC=C(C)Nc1ccccc1	136784894	1169194510	/nfs/dbraw/zinc/19/45/10/1169194510.db2.gz	HKUAVFFHRNXLLF-YCRREMRBSA-N	0	0	147.221	3.022	10	0		AGAERN
CCCCc1cccc(F)c1F	136551588	1169195299	/nfs/dbraw/zinc/19/52/99/1169195299.db2.gz	LGPWCHJJOMKWOM-UHFFFAOYSA-N	0	0	170.202	3.307	10	0		AGAERN
Cc1ccccc1Nc1ncccc1C	136984957	1169195359	/nfs/dbraw/zinc/19/53/59/1169195359.db2.gz	CCTKPIXGMDSWON-UHFFFAOYSA-N	0	0	198.269	3.442	10	0		AGAERN
CC(C)Cc1cccc(F)c1F	136551631	1169195514	/nfs/dbraw/zinc/19/55/14/1169195514.db2.gz	LPRPCZWPRYPGRN-UHFFFAOYSA-N	0	0	170.202	3.163	10	0		AGAERN
Cc1ccc(C2CCCC2)c(O)c1	138759777	1169196985	/nfs/dbraw/zinc/19/69/85/1169196985.db2.gz	QATQNWVHZQWIEW-UHFFFAOYSA-N	0	0	176.259	3.358	10	0		AGAERN
CCO[C@@H](C)c1ccc(C)cc1C	138612274	1169197443	/nfs/dbraw/zinc/19/74/43/1169197443.db2.gz	QUYFLFORDWHJDA-NSHDSACASA-N	0	0	178.275	3.401	10	0		AGAERN
CC[C@H](C)c1cc(F)ccc1F	139343605	1169197540	/nfs/dbraw/zinc/19/75/40/1169197540.db2.gz	NIRXTMTULVBCPY-ZETCQYMHSA-N	0	0	170.202	3.478	10	0		AGAERN
CC[C@@H](C)c1cc(F)ccc1F	139343492	1169197578	/nfs/dbraw/zinc/19/75/78/1169197578.db2.gz	NIRXTMTULVBCPY-SSDOTTSWSA-N	0	0	170.202	3.478	10	0		AGAERN
CCO[C@H](C)c1ccc(C)cc1C	138612408	1169197838	/nfs/dbraw/zinc/19/78/38/1169197838.db2.gz	QUYFLFORDWHJDA-LLVKDONJSA-N	0	0	178.275	3.401	10	0		AGAERN
CCCCc1ccc(CO)c(Cl)c1	138687474	1169197920	/nfs/dbraw/zinc/19/79/20/1169197920.db2.gz	PYWMWCWGGFYDKX-UHFFFAOYSA-N	0	0	198.693	3.175	10	0		AGAERN
CC(C)c1c(F)ccc2[nH]ccc12	138302714	1169198019	/nfs/dbraw/zinc/19/80/19/1169198019.db2.gz	BLNPPAXZVRGTJI-UHFFFAOYSA-N	0	0	177.222	3.430	10	0		AGAERN
CC(C)Oc1ccc2cccnc2c1	139405000	1169198050	/nfs/dbraw/zinc/19/80/50/1169198050.db2.gz	FEGHODRAGABHCA-UHFFFAOYSA-N	0	0	187.242	3.022	10	0		AGAERN
CC(C)Oc1cncc2ccccc12	139395155	1169198449	/nfs/dbraw/zinc/19/84/49/1169198449.db2.gz	ZJMMFWMKQTYIOY-UHFFFAOYSA-N	0	0	187.242	3.022	10	0		AGAERN
C=Cc1cccc2ccc(C)nc12	138690442	1169198502	/nfs/dbraw/zinc/19/85/02/1169198502.db2.gz	LEUPFCDQAMPSGV-UHFFFAOYSA-N	0	0	169.227	3.186	10	0		AGAERN
CC[C@H](C)c1ccc(OCOC)cc1	140122314	1169199031	/nfs/dbraw/zinc/19/90/31/1169199031.db2.gz	XGROYIOTKWTJFB-JTQLQIEISA-N	0	0	194.274	3.183	10	0		AGAERN
C=Cc1ccc2c(c1)CCCC2	140349177	1169199476	/nfs/dbraw/zinc/19/94/76/1169199476.db2.gz	ZBPFHTNNYAOCTL-UHFFFAOYSA-N	0	0	158.244	3.208	10	0		AGAERN
Cc1cc(-c2ccncc2)cc(C)c1O	139715497	1169199499	/nfs/dbraw/zinc/19/94/99/1169199499.db2.gz	KNLLHOJUJXJQBJ-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
C=Cc1cccc(SC)c1	139643621	1169199782	/nfs/dbraw/zinc/19/97/82/1169199782.db2.gz	VTLWKWGJUIUPCD-UHFFFAOYSA-N	0	0	150.246	3.052	10	0		AGAERN
CC[C@H](C)c1cc(F)ccc1O	140197900	1169200104	/nfs/dbraw/zinc/20/01/04/1169200104.db2.gz	JOKFBACQOYTVMU-ZETCQYMHSA-N	0	0	168.211	3.045	10	0		AGAERN
Clc1cncc(OC2CCCC2)c1	140446978	1169201007	/nfs/dbraw/zinc/20/10/07/1169201007.db2.gz	IIQGWLLOODJPIQ-UHFFFAOYSA-N	0	0	197.665	3.056	10	0		AGAERN
Cc1ccc(Cc2ccccc2)cc1O	140440895	1169201255	/nfs/dbraw/zinc/20/12/55/1169201255.db2.gz	FTELZKAKVAVGSX-UHFFFAOYSA-N	0	0	198.265	3.291	10	0		AGAERN
C=Cc1ccnc(C(C)(C)C)c1	140286510	1169201513	/nfs/dbraw/zinc/20/15/13/1169201513.db2.gz	OTVQRQANEZGTRH-UHFFFAOYSA-N	0	0	161.248	3.022	10	0		AGAERN
C=Cc1cc(C)c2ccccc2n1	140474649	1169201845	/nfs/dbraw/zinc/20/18/45/1169201845.db2.gz	YTKATVMTXNHOCF-UHFFFAOYSA-N	0	0	169.227	3.186	10	0		AGAERN
CC[C@@H](C)c1ccc(OCOC)cc1	140122178	1169202148	/nfs/dbraw/zinc/20/21/48/1169202148.db2.gz	XGROYIOTKWTJFB-SNVBAGLBSA-N	0	0	194.274	3.183	10	0		AGAERN
CCCCc1c(O)cccc1Cl	140487422	1169202205	/nfs/dbraw/zinc/20/22/05/1169202205.db2.gz	VCTCDFYUEDHTBU-UHFFFAOYSA-N	0	0	184.666	3.388	10	0		AGAERN
CCc1ccccc1-c1ccccn1	141303444	1169202921	/nfs/dbraw/zinc/20/29/21/1169202921.db2.gz	GNDJWEKLPSUISJ-UHFFFAOYSA-N	0	0	183.254	3.311	10	0		AGAERN
Cc1cccc(Nc2ccccc2O)c1	141045253	1169203308	/nfs/dbraw/zinc/20/33/08/1169203308.db2.gz	IAGKEBNACOQUAP-UHFFFAOYSA-N	0	0	199.253	3.444	10	0		AGAERN
CSc1ccc(CC2CC2)cc1	141100794	1169203634	/nfs/dbraw/zinc/20/36/34/1169203634.db2.gz	YFZCKIWJUKVGCJ-UHFFFAOYSA-N	0	0	178.300	3.361	10	0		AGAERN
CC[C@@H](C)c1cc(OC)ccc1OC	140914842	1169203778	/nfs/dbraw/zinc/20/37/78/1169203778.db2.gz	CRPDVUBVRNFSCZ-SECBINFHSA-N	0	0	194.274	3.217	10	0		AGAERN
CCCc1ccc2cc[nH]c2c1	141102502	1169203842	/nfs/dbraw/zinc/20/38/42/1169203842.db2.gz	OGSMWGKOLRZVOK-UHFFFAOYSA-N	0	0	159.232	3.120	10	0		AGAERN
CC[C@@H](C)c1cc(C)cc(O)c1	141587478	1169203974	/nfs/dbraw/zinc/20/39/74/1169203974.db2.gz	XCLJSERQRNTSPQ-SECBINFHSA-N	0	0	164.248	3.214	10	0		AGAERN
CCc1cc2c(Cl)cccc2[nH]1	140805168	1169204136	/nfs/dbraw/zinc/20/41/36/1169204136.db2.gz	ZUOSQOMAPUQEDS-UHFFFAOYSA-N	0	0	179.650	3.384	10	0		AGAERN
Cc1ccc(O[C@@H]2C=CCCC2)cc1	141279280	1169204328	/nfs/dbraw/zinc/20/43/28/1169204328.db2.gz	IHHMIBMKNXALTO-GFCCVEGCSA-N	0	0	188.270	3.483	10	0		AGAERN
CCC(CC)Oc1cncc(Cl)c1	141589557	1169204707	/nfs/dbraw/zinc/20/47/07/1169204707.db2.gz	JWUPCLUHTUQDBC-UHFFFAOYSA-N	0	0	199.681	3.302	10	0		AGAERN
Cc1ccccc1Nc1ccccc1O	141041873	1169204831	/nfs/dbraw/zinc/20/48/31/1169204831.db2.gz	TWIRJXSANRWKKH-UHFFFAOYSA-N	0	0	199.253	3.444	10	0		AGAERN
Cc1cc(O)cc(Nc2ccccc2)c1	140920351	1169204900	/nfs/dbraw/zinc/20/49/00/1169204900.db2.gz	LAEDGIJUQQAYGH-UHFFFAOYSA-N	0	0	199.253	3.444	10	0		AGAERN
Cc1cc(-c2ccc(O)cc2)cc(C)n1	141680122	1169206594	/nfs/dbraw/zinc/20/65/94/1169206594.db2.gz	XUQNKPXCSHCQSU-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1cc(-c2ccccn2)cc(C)c1O	141752718	1169206786	/nfs/dbraw/zinc/20/67/86/1169206786.db2.gz	QVYIXCWOTGRLQZ-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1ccc(Oc2ccccc2)nc1	141763953	1169206945	/nfs/dbraw/zinc/20/69/45/1169206945.db2.gz	RNGKJAFRASIBEI-UHFFFAOYSA-N	0	0	185.226	3.182	10	0	in-vitro	AGAERN
CCc1cc(-c2ccc(O)cc2)ccn1	142428518	1169207831	/nfs/dbraw/zinc/20/78/31/1169207831.db2.gz	RFSZFWYPGMWMDJ-UHFFFAOYSA-N	0	0	199.253	3.017	10	0		AGAERN
CC(C)c1cccc2cnccc12	142295024	1169207980	/nfs/dbraw/zinc/20/79/80/1169207980.db2.gz	NSPUATVHBOPFRG-UHFFFAOYSA-N	0	0	171.243	3.358	10	0		AGAERN
CCc1ccc(-c2ccc(C)cn2)nc1	142000794	1169208389	/nfs/dbraw/zinc/20/83/89/1169208389.db2.gz	UDFUHDIYGCKFPV-UHFFFAOYSA-N	0	0	198.269	3.014	10	0		AGAERN
Cc1cc(C2CCCC2)ccc1O	142676479	1169209841	/nfs/dbraw/zinc/20/98/41/1169209841.db2.gz	UXYIMFQHAOJMFN-UHFFFAOYSA-N	0	0	176.259	3.358	10	0		AGAERN
COCc1ccc(CC(C)C)cc1	142918789	1169210624	/nfs/dbraw/zinc/21/06/24/1169210624.db2.gz	LZZGMJRZLUSPQK-UHFFFAOYSA-N	0	0	178.275	3.032	10	0		AGAERN
CCCc1ccccc1OC(F)F	142783620	1169210764	/nfs/dbraw/zinc/21/07/64/1169210764.db2.gz	BWWLZFGFGMJJEO-UHFFFAOYSA-N	0	0	186.201	3.241	10	0		AGAERN
CC[C@H](C)c1ccc(F)cc1F	143521648	1169212838	/nfs/dbraw/zinc/21/28/38/1169212838.db2.gz	PFQSVTOGCHXMOA-ZETCQYMHSA-N	0	0	170.202	3.478	10	0		AGAERN
Fc1ccnc(F)c1-c1ccccc1	143606904	1169213919	/nfs/dbraw/zinc/21/39/19/1169213919.db2.gz	ZEWAMWZBWYBTAG-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
CC(=O)Oc1ccc(C(C)C)c(C)c1	143323807	1169214246	/nfs/dbraw/zinc/21/42/46/1169214246.db2.gz	DDBMQWAAZQBRJJ-UHFFFAOYSA-N	0	0	192.258	3.044	10	0		AGAERN
CCc1cccc(F)c1Cl	143608988	1169214888	/nfs/dbraw/zinc/21/48/88/1169214888.db2.gz	DRQDJUYXDKAZSN-UHFFFAOYSA-N	0	0	158.603	3.042	10	0		AGAERN
C=CCOC(=O)[C@@H](CC)CCCCC	143220343	1169214929	/nfs/dbraw/zinc/21/49/29/1169214929.db2.gz	GPDOROJPVCJQKD-NSHDSACASA-N	0	0	198.306	3.322	10	0		AGAERN
C=CCOC(=O)[C@H](CC)CCCCC	143220119	1169215245	/nfs/dbraw/zinc/21/52/45/1169215245.db2.gz	GPDOROJPVCJQKD-LLVKDONJSA-N	0	0	198.306	3.322	10	0		AGAERN
CCc1ccc(F)cc1OC(C)C	143635042	1169215513	/nfs/dbraw/zinc/21/55/13/1169215513.db2.gz	GLCUWJOOGWRQOC-UHFFFAOYSA-N	0	0	182.238	3.175	10	0		AGAERN
Fc1cccc(-c2ccoc2)c1	144011366	1169216655	/nfs/dbraw/zinc/21/66/55/1169216655.db2.gz	CQQLYTDJSJQARP-UHFFFAOYSA-N	0	0	162.163	3.086	10	0		AGAERN
Cc1cc(CCC(C)C)ccc1O	144201111	1169216781	/nfs/dbraw/zinc/21/67/81/1169216781.db2.gz	RMOKZTCLTJOMIM-UHFFFAOYSA-N	0	0	178.275	3.289	10	0		AGAERN
CCc1cccc(-c2ccccn2)c1	144165625	1169217338	/nfs/dbraw/zinc/21/73/38/1169217338.db2.gz	NLWTVTQPVWREAA-UHFFFAOYSA-N	0	0	183.254	3.311	10	0		AGAERN
Cc1cc(F)nc(-c2ccccc2)c1	143819663	1169219245	/nfs/dbraw/zinc/21/92/45/1169219245.db2.gz	YFPOHADTRJRLAE-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
C=Cc1ccc2cc(C)ccc2n1	143856248	1169219549	/nfs/dbraw/zinc/21/95/49/1169219549.db2.gz	LSLINHIQASIDIY-UHFFFAOYSA-N	0	0	169.227	3.186	10	0		AGAERN
C=Cc1ccc(C(F)(F)F)cc1F	143864140	1169219833	/nfs/dbraw/zinc/21/98/33/1169219833.db2.gz	OZHUPUPFXNKIAG-UHFFFAOYSA-N	0	0	190.139	3.488	10	0		AGAERN
Cc1cc(-c2cccc(O)c2)cc(C)n1	144420370	1169220661	/nfs/dbraw/zinc/22/06/61/1169220661.db2.gz	ABQHUTCXNBHDQO-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
CCCOC(=O)C1CC(C(C)(C)C)C1	838413417	674006724	/nfs/dbraw/zinc/00/67/24/674006724.db2.gz	LAXQTGAQUDJBPA-UHFFFAOYSA-N	0	0	198.306	3.012	10	0		AGAERN
Cc1cccc(-c2cncs2)c1	144752375	1169221905	/nfs/dbraw/zinc/22/19/05/1169221905.db2.gz	OIQHUALJVFHZBL-UHFFFAOYSA-N	0	0	175.256	3.119	10	0		AGAERN
Cc1cc(Nc2ccccc2)ccc1O	144955932	1169221950	/nfs/dbraw/zinc/22/19/50/1169221950.db2.gz	BFKNOGJONDIQHG-UHFFFAOYSA-N	0	0	199.253	3.444	10	0		AGAERN
C#CCc1ccc2ccccc2c1	144749990	1169222886	/nfs/dbraw/zinc/22/28/86/1169222886.db2.gz	QAECTWRJMQMUGK-UHFFFAOYSA-N	0	0	166.223	3.016	10	0		AGAERN
CCOc1ccc(F)cc1C1CC1	144560716	1169223106	/nfs/dbraw/zinc/22/31/06/1169223106.db2.gz	YRFVSAOHDWGGDZ-UHFFFAOYSA-N	0	0	180.222	3.102	10	0		AGAERN
CC[C@@H](C)[C@H](C)Oc1cccc(O)c1	145539985	1169223773	/nfs/dbraw/zinc/22/37/73/1169223773.db2.gz	XOWZJACHPHDJBK-ZJUUUORDSA-N	0	0	194.274	3.206	10	0		AGAERN
Cc1ccnc(-c2ccsc2C)c1	145579565	1169223813	/nfs/dbraw/zinc/22/38/13/1169223813.db2.gz	ILSVYXAHTYYMAU-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
CC[C@H](C)[C@@H](C)Oc1cccc(O)c1	145539742	1169224584	/nfs/dbraw/zinc/22/45/84/1169224584.db2.gz	XOWZJACHPHDJBK-VHSXEESVSA-N	0	0	194.274	3.206	10	0		AGAERN
CC[C@@H](C)[C@@H](C)Oc1cccc(O)c1	145539570	1169225428	/nfs/dbraw/zinc/22/54/28/1169225428.db2.gz	XOWZJACHPHDJBK-NXEZZACHSA-N	0	0	194.274	3.206	10	0		AGAERN
C/C=C(/C)C(=O)OCC1(C)CCCC1	761015803	674007521	/nfs/dbraw/zinc/00/75/21/674007521.db2.gz	MXBUBPTZTIYGML-WMZJFQQLSA-N	0	0	196.290	3.076	10	0		AGAERN
CCc1cc(-c2cccc(O)c2)ccn1	145150427	1169226104	/nfs/dbraw/zinc/22/61/04/1169226104.db2.gz	LAXWBMCSPSHXRO-UHFFFAOYSA-N	0	0	199.253	3.017	10	0		AGAERN
CC[C@H](C)[C@H](C)Oc1cccc(O)c1	145540202	1169226298	/nfs/dbraw/zinc/22/62/98/1169226298.db2.gz	XOWZJACHPHDJBK-UWVGGRQHSA-N	0	0	194.274	3.206	10	0		AGAERN
CCN1CCC(C)(C)c2ccccc21	145060710	1169226684	/nfs/dbraw/zinc/22/66/84/1169226684.db2.gz	CWOCMNBFGQLUHW-UHFFFAOYSA-N	0	0	189.302	3.194	10	0		AGAERN
C/C=C(/C)C(=O)OC1CCCCCC1	770446103	674008818	/nfs/dbraw/zinc/00/88/18/674008818.db2.gz	QIHRHIQMGUBJDR-KMKOMSMNSA-N	0	0	196.290	3.219	10	0		AGAERN
C/C=C(\C)C(=O)OC1CCCCCC1	770446119	674008862	/nfs/dbraw/zinc/00/88/62/674008862.db2.gz	QIHRHIQMGUBJDR-XCVCLJGOSA-N	0	0	196.290	3.219	10	0		AGAERN
C=C[C@@H](C)Oc1cccc2cccnc12	145850749	1169228239	/nfs/dbraw/zinc/22/82/39/1169228239.db2.gz	SYIZXQGBDVBSMD-SNVBAGLBSA-N	0	0	199.253	3.188	10	0		AGAERN
CC/C=C/COC(=O)C(C)(C)C(C)C	784497964	674009548	/nfs/dbraw/zinc/00/95/48/674009548.db2.gz	HYOMNHLTRLMZOF-BQYQJAHWSA-N	0	0	198.306	3.178	10	0		AGAERN
Cc1ccc(CC(C)(C)C)cc1O	145685830	1169228307	/nfs/dbraw/zinc/22/83/07/1169228307.db2.gz	SMQBRXCEAGJCTJ-UHFFFAOYSA-N	0	0	178.275	3.289	10	0		AGAERN
CC/C=C\COC(=O)C(C)(C)C(C)C	784497967	674009642	/nfs/dbraw/zinc/00/96/42/674009642.db2.gz	HYOMNHLTRLMZOF-FPLPWBNLSA-N	0	0	198.306	3.178	10	0		AGAERN
C/C=C(/CC)C(=O)OCC1CCCC1	789230267	674009887	/nfs/dbraw/zinc/00/98/87/674009887.db2.gz	FNJSOFCPJIWBMT-JYOAFUTRSA-N	0	0	196.290	3.076	10	0		AGAERN
C=C[C@H](C)Oc1cccc2cccnc12	145850930	1169228682	/nfs/dbraw/zinc/22/86/82/1169228682.db2.gz	SYIZXQGBDVBSMD-JTQLQIEISA-N	0	0	199.253	3.188	10	0		AGAERN
C/C=C(\CC)C(=O)OCC1CCCC1	789230268	674010130	/nfs/dbraw/zinc/01/01/30/674010130.db2.gz	FNJSOFCPJIWBMT-QDEBKDIKSA-N	0	0	196.290	3.076	10	0		AGAERN
CC(C)c1ccc2c(c1)CCCO2	146167925	1169228928	/nfs/dbraw/zinc/22/89/28/1169228928.db2.gz	SNDMKSIPRARUFK-UHFFFAOYSA-N	0	0	176.259	3.135	10	0		AGAERN
CCC[C@](C)(CC)C(=O)OCC1CC1	796321867	674010507	/nfs/dbraw/zinc/01/05/07/674010507.db2.gz	CQGZSXLJIIDMLT-LBPRGKRZSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC[C@@](C)(CC)C(=O)OCC1CC1	796321864	674010680	/nfs/dbraw/zinc/01/06/80/674010680.db2.gz	CQGZSXLJIIDMLT-GFCCVEGCSA-N	0	0	198.306	3.156	10	0		AGAERN
C=Cc1cnc(C)c2ccccc12	146099573	1169229414	/nfs/dbraw/zinc/22/94/14/1169229414.db2.gz	CHODDSLADMSJJR-UHFFFAOYSA-N	0	0	169.227	3.186	10	0		AGAERN
Cc1cc(C)cc(C(C)(F)F)c1	145720101	1169230154	/nfs/dbraw/zinc/23/01/54/1169230154.db2.gz	ALAUZCMZMZBZFX-UHFFFAOYSA-N	0	0	170.202	3.415	10	0		AGAERN
Cc1c(F)cccc1CC1CC1	146354676	1169231435	/nfs/dbraw/zinc/23/14/35/1169231435.db2.gz	FVDIVVKTVYJWMS-UHFFFAOYSA-N	0	0	164.223	3.087	10	0		AGAERN
CCc1cc(C(C)C)ccc1OC	146276527	1169232055	/nfs/dbraw/zinc/23/20/55/1169232055.db2.gz	IUFINFIOFQNAKW-UHFFFAOYSA-N	0	0	178.275	3.381	10	0		AGAERN
COc1cccc(-c2ccc(C)cn2)c1	146246074	1169232092	/nfs/dbraw/zinc/23/20/92/1169232092.db2.gz	RUOFAHHWVALJFP-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
CC(C)=CCCC(F)(F)F	146881126	1169232963	/nfs/dbraw/zinc/23/29/63/1169232963.db2.gz	VKSCZPIDMBUBPZ-UHFFFAOYSA-N	0	0	152.159	3.295	10	0		AGAERN
CCCCC(=O)OCC1CC(C)(C)C1	802291423	674017087	/nfs/dbraw/zinc/01/70/87/674017087.db2.gz	DAPBSXYEMKPKHO-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
Cc1cc(C)cc(-c2cscn2)c1	146896480	1169233420	/nfs/dbraw/zinc/23/34/20/1169233420.db2.gz	WGZNTZBJJSGGME-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
C=C/C=C/CCn1ccnc1C(C)C	713716628	674015754	/nfs/dbraw/zinc/01/57/54/674015754.db2.gz	ICJKVLNCDPRSQN-AATRIKPKSA-N	0	0	190.290	3.139	10	0		AGAERN
C=C/C=C\CCn1ccnc1C(C)C	713716629	674016032	/nfs/dbraw/zinc/01/60/32/674016032.db2.gz	ICJKVLNCDPRSQN-WAYWQWQTSA-N	0	0	190.290	3.139	10	0		AGAERN
C#Cc1cccc(Cc2ccccc2)c1	146937716	1169235377	/nfs/dbraw/zinc/23/53/77/1169235377.db2.gz	JNUOVHNULVFKQM-UHFFFAOYSA-N	0	0	192.261	3.259	10	0		AGAERN
COc1ccc(-c2ccoc2)c(F)c1	757566770	674018264	/nfs/dbraw/zinc/01/82/64/674018264.db2.gz	NXMLJKZFVWVGNA-UHFFFAOYSA-N	0	0	192.189	3.094	10	0		AGAERN
Clc1ccc(C2=CCCCC2)nn1	757566157	674018745	/nfs/dbraw/zinc/01/87/45/674018745.db2.gz	LISKELSGKIDKFF-UHFFFAOYSA-N	0	0	194.665	3.087	10	0		AGAERN
CC(C)CCCCNc1nccs1	147632200	1169237238	/nfs/dbraw/zinc/23/72/38/1169237238.db2.gz	TZHHCPTUPLDZHO-UHFFFAOYSA-N	0	0	198.335	3.381	10	0		AGAERN
CC(C)Oc1ccc(C2CC2)cc1	147408521	1169237988	/nfs/dbraw/zinc/23/79/88/1169237988.db2.gz	SNYLTDZRQIRPBO-UHFFFAOYSA-N	0	0	176.259	3.351	10	0		AGAERN
COc1cc(Cl)cc(C(C)C)c1	147326824	1169238055	/nfs/dbraw/zinc/23/80/55/1169238055.db2.gz	BILDRFHXMJPKHY-UHFFFAOYSA-N	0	0	184.666	3.472	10	0		AGAERN
COc1c(C)cccc1C(C)C	147325205	1169238256	/nfs/dbraw/zinc/23/82/56/1169238256.db2.gz	QLCGCCXRCFHWLD-UHFFFAOYSA-N	0	0	164.248	3.127	10	0		AGAERN
COc1ccc(CC2CCC2)cc1	147470654	1169239228	/nfs/dbraw/zinc/23/92/28/1169239228.db2.gz	LTUOAKZAEVRZQA-UHFFFAOYSA-N	0	0	176.259	3.038	10	0		AGAERN
CCOc1ccc(NC=C(C)C)cc1	147302655	1169239284	/nfs/dbraw/zinc/23/92/84/1169239284.db2.gz	XKFLZGQWHVMQMV-UHFFFAOYSA-N	0	0	191.274	3.421	10	0		AGAERN
COc1ccc(C)c(C(C)C)c1	147328606	1169239326	/nfs/dbraw/zinc/23/93/26/1169239326.db2.gz	QYTSKEFXPJDSNY-UHFFFAOYSA-N	0	0	164.248	3.127	10	0		AGAERN
CCc1cccc(-c2cccc(=O)[nH]2)c1	148032375	1169239851	/nfs/dbraw/zinc/23/98/51/1169239851.db2.gz	MPJXVRFBWHNUMJ-UHFFFAOYSA-N	0	0	199.253	3.017	10	0		AGAERN
CCc1cccc(-c2ccccc2N)c1	147948179	1169239966	/nfs/dbraw/zinc/23/99/66/1169239966.db2.gz	HQZTXDGTNPOVHC-UHFFFAOYSA-N	0	0	197.281	3.498	10	0		AGAERN
CC(C)c1cc(Cl)cc(C#N)c1	147649209	1169241268	/nfs/dbraw/zinc/24/12/68/1169241268.db2.gz	DXMBDHYOUYSZPU-UHFFFAOYSA-N	0	0	179.650	3.335	10	0		AGAERN
C=Cc1ccc2[nH]c(C)c(C)c2c1	147636439	1169241341	/nfs/dbraw/zinc/24/13/41/1169241341.db2.gz	LXURIWRYHPEQRF-UHFFFAOYSA-N	0	0	171.243	3.428	10	0		AGAERN
Cc1coc(-c2ccccc2C=O)c1	716225137	674023855	/nfs/dbraw/zinc/02/38/55/674023855.db2.gz	PJGIBEGKNYBXOJ-UHFFFAOYSA-N	0	0	186.210	3.068	10	0		AGAERN
Cc1coc(-c2ccc(C=O)cc2)c1	716225135	674023924	/nfs/dbraw/zinc/02/39/24/674023924.db2.gz	PFTNXFQIURAWNX-UHFFFAOYSA-N	0	0	186.210	3.068	10	0		AGAERN
Cc1coc(-c2cccc(C=O)c2)c1	716221790	674024320	/nfs/dbraw/zinc/02/43/20/674024320.db2.gz	WYBBQUIIBOVTCG-UHFFFAOYSA-N	0	0	186.210	3.068	10	0		AGAERN
Cc1c(O)cccc1Cc1ccccc1	148161096	1169243495	/nfs/dbraw/zinc/24/34/95/1169243495.db2.gz	VWABHBWUNQRWAE-UHFFFAOYSA-N	0	0	198.265	3.291	10	0		AGAERN
Cc1c(-c2ccccc2)ccnc1F	148299795	1169244073	/nfs/dbraw/zinc/24/40/73/1169244073.db2.gz	RBTVRSCLWHFQIQ-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
CCC[C@@H]1C[C@H]1C(=O)OCC(C)(C)C	813064166	674028233	/nfs/dbraw/zinc/02/82/33/674028233.db2.gz	CMNNVYDPJJRHBD-NXEZZACHSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)CCc1ccc(O)c(F)c1	148285600	1169244614	/nfs/dbraw/zinc/24/46/14/1169244614.db2.gz	JFRYYBZASFPGTG-UHFFFAOYSA-N	0	0	182.238	3.120	10	0		AGAERN
C/C=C/[C@@]1(O)C=C[C@H](CCC)CC1	757057005	674027199	/nfs/dbraw/zinc/02/71/99/674027199.db2.gz	HREMZESOKBTHAO-RHFIQAJLSA-N	0	0	180.291	3.060	10	0		AGAERN
CC/C=C\COC(=O)CCCC1CC1	813063290	674028261	/nfs/dbraw/zinc/02/82/61/674028261.db2.gz	PTROGFNSJCUBSS-ARJAWSKDSA-N	0	0	196.290	3.076	10	0		AGAERN
C/C=C/[C@@]1(O)C=C[C@@H](CCC)CC1	757057004	674027458	/nfs/dbraw/zinc/02/74/58/674027458.db2.gz	HREMZESOKBTHAO-CNNIXMGKSA-N	0	0	180.291	3.060	10	0		AGAERN
C/C=C/[C@@]1(O)C=C[C@H](C(C)(C)C)CC1	757057012	674027465	/nfs/dbraw/zinc/02/74/65/674027465.db2.gz	ZCSQSRYYQQJDRK-PJKPIPPESA-N	0	0	194.318	3.306	10	0		AGAERN
C/C=C/[C@@]1(O)C=C[C@@H](C(C)(C)C)CC1	757057013	674027479	/nfs/dbraw/zinc/02/74/79/674027479.db2.gz	ZCSQSRYYQQJDRK-UCYCBVHCSA-N	0	0	194.318	3.306	10	0		AGAERN
CCc1ccc(OC)c(C(C)C)c1	148751079	1169245039	/nfs/dbraw/zinc/24/50/39/1169245039.db2.gz	ADHAXWGNBZWFIZ-UHFFFAOYSA-N	0	0	178.275	3.381	10	0		AGAERN
CCOc1ccccc1-c1ccncc1	148376862	1169245397	/nfs/dbraw/zinc/24/53/97/1169245397.db2.gz	UDDJEDZAIDLKLK-UHFFFAOYSA-N	0	0	199.253	3.147	10	0		AGAERN
COc1nccc(-c2ccccc2)c1C	148298551	1169245586	/nfs/dbraw/zinc/24/55/86/1169245586.db2.gz	SAZQUHGLCZTBHY-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
CC/C=C/COC(=O)CCCC1CC1	813063291	674028283	/nfs/dbraw/zinc/02/82/83/674028283.db2.gz	PTROGFNSJCUBSS-ONEGZZNKSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC/C=C/c1ccc(N)cc1	148629902	1169245733	/nfs/dbraw/zinc/24/57/33/1169245733.db2.gz	SLHJKVUYUQLTAT-SNAWJCMRSA-N	0	0	161.248	3.082	10	0		AGAERN
CCc1ccc(C(F)(F)F)cc1F	148598242	1169245792	/nfs/dbraw/zinc/24/57/92/1169245792.db2.gz	HROIVCWQHIHNTI-UHFFFAOYSA-N	0	0	192.155	3.407	10	0		AGAERN
CC(C)(C)COC(=O)CCCC1CC1	813065448	674028210	/nfs/dbraw/zinc/02/82/10/674028210.db2.gz	WWIFHAFKGWOWRA-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
C=Cc1ccc2[nH]cc(C)c2c1	148654468	1169245923	/nfs/dbraw/zinc/24/59/23/1169245923.db2.gz	OIKIZTOXCYFJPK-UHFFFAOYSA-N	0	0	157.216	3.119	10	0		AGAERN
CCCCc1cccc(Cl)c1N	149091947	1169246867	/nfs/dbraw/zinc/24/68/67/1169246867.db2.gz	XAGHOXOUWMKGSC-UHFFFAOYSA-N	0	0	183.682	3.265	10	0		AGAERN
C=Cc1cc(F)cc(C(F)(F)F)c1	149100966	1169247613	/nfs/dbraw/zinc/24/76/13/1169247613.db2.gz	YQOWTCZXFXQVKF-UHFFFAOYSA-N	0	0	190.139	3.488	10	0		AGAERN
CCc1ccc(F)c(C(F)(F)F)c1	149100267	1169248428	/nfs/dbraw/zinc/24/84/28/1169248428.db2.gz	SWTCNVDHZSCEDD-UHFFFAOYSA-N	0	0	192.155	3.407	10	0		AGAERN
C#CCc1csc2ccccc12	149110586	1169248853	/nfs/dbraw/zinc/24/88/53/1169248853.db2.gz	YNSNLNXXGQGRFI-UHFFFAOYSA-N	0	0	172.252	3.077	10	0		AGAERN
Cc1ccc(C2=CCCCC2)cn1	149705939	1169250784	/nfs/dbraw/zinc/25/07/84/1169250784.db2.gz	BSRLLWAWECSCLL-UHFFFAOYSA-N	0	0	173.259	3.347	10	0		AGAERN
COc1ccccc1-c1ccc(C)nc1	149852938	1169252227	/nfs/dbraw/zinc/25/22/27/1169252227.db2.gz	GWBZPXNEQKRCTP-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
COc1cccc(C=C(C)C)c1	149837283	1169252558	/nfs/dbraw/zinc/25/25/58/1169252558.db2.gz	LIEAVIIVVHFTNG-UHFFFAOYSA-N	0	0	162.232	3.118	10	0		AGAERN
Cc1cc(O)ccc1-c1cnccc1C	156786959	1169255745	/nfs/dbraw/zinc/25/57/45/1169255745.db2.gz	SIFYMCLXXZRVTN-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Fc1cc(F)nc(-c2ccccc2)c1	149935940	1169252959	/nfs/dbraw/zinc/25/29/59/1169252959.db2.gz	IGHUUDKUOCOOSZ-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
CCCCc1ccc(Cl)cc1N	149668300	1169253036	/nfs/dbraw/zinc/25/30/36/1169253036.db2.gz	KHHKHBFXTJLHRG-UHFFFAOYSA-N	0	0	183.682	3.265	10	0		AGAERN
CCc1cccc(Cl)c1C	149697802	1169253304	/nfs/dbraw/zinc/25/33/04/1169253304.db2.gz	WISMSDFORJERGX-UHFFFAOYSA-N	0	0	154.640	3.211	10	0		AGAERN
CCc1ccc(Cl)c(CC)c1	149789625	1169253494	/nfs/dbraw/zinc/25/34/94/1169253494.db2.gz	BTFNVVWXGXZDGI-UHFFFAOYSA-N	0	0	168.667	3.465	10	0		AGAERN
Cc1ccc(-c2ccc(O)c(C)c2)cn1	156730792	1169253953	/nfs/dbraw/zinc/25/39/53/1169253953.db2.gz	UHVNZJAOGXFFCL-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1ccc(CC(F)(F)F)c(C)c1	150291989	1169254481	/nfs/dbraw/zinc/25/44/81/1169254481.db2.gz	IACVLHBYEAVMRN-UHFFFAOYSA-N	0	0	188.192	3.408	10	0		AGAERN
Cc1cnccc1-c1ccc(O)cc1C	156784522	1169254621	/nfs/dbraw/zinc/25/46/21/1169254621.db2.gz	OWINGBJVZYSUNK-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
CCc1ccccc1-c1cccnc1	150307976	1169254765	/nfs/dbraw/zinc/25/47/65/1169254765.db2.gz	DPEYTCBKJOJCJM-UHFFFAOYSA-N	0	0	183.254	3.311	10	0		AGAERN
CCc1cccc(-c2cncc(O)c2)c1	156833238	1169255082	/nfs/dbraw/zinc/25/50/82/1169255082.db2.gz	LVKIKBPXHOTGES-UHFFFAOYSA-N	0	0	199.253	3.017	10	0		AGAERN
Cc1ccc(-c2ccc(O)cc2C)cn1	156731252	1169255097	/nfs/dbraw/zinc/25/50/97/1169255097.db2.gz	RBMYPIYXBBNVDW-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1ccc(O)c(-c2cnccc2C)c1	156786198	1169255817	/nfs/dbraw/zinc/25/58/17/1169255817.db2.gz	WJMAMLHLTCMXIH-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1ccc(CC(C)(C)C)cc1N	150014653	1169256463	/nfs/dbraw/zinc/25/64/63/1169256463.db2.gz	XYQOTNYLSBQQSL-UHFFFAOYSA-N	0	0	177.291	3.166	10	0		AGAERN
C=Cc1ccc2occc2c1	150329527	1169256863	/nfs/dbraw/zinc/25/68/63/1169256863.db2.gz	XBNTUYVBBSPJJH-UHFFFAOYSA-N	0	0	144.173	3.076	10	0	in-vitro	AGAERN
Cc1ccc(O)c(-c2ccc(C)nc2)c1	156730494	1169256902	/nfs/dbraw/zinc/25/69/02/1169256902.db2.gz	ZSHXFPJIKZACHQ-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1cc(-c2ccncc2C)ccc1O	156784082	1169257134	/nfs/dbraw/zinc/25/71/34/1169257134.db2.gz	CSGRVURHVHVLHR-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1ccc(-c2cncc(O)c2)cc1C	156706050	1169257233	/nfs/dbraw/zinc/25/72/33/1169257233.db2.gz	HMUQUSUKVVINJW-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
CCCCc1ccc(N)c(CC)c1	149973994	1169257193	/nfs/dbraw/zinc/25/71/93/1169257193.db2.gz	BZUFPQXZGALXFA-UHFFFAOYSA-N	0	0	177.291	3.174	10	0		AGAERN
Cc1cc(-c2cnccc2C)ccc1O	156786502	1169257441	/nfs/dbraw/zinc/25/74/41/1169257441.db2.gz	JNJUWTCQGARRSG-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1ccc(O)c(-c2ccncc2C)c1	156783758	1169257605	/nfs/dbraw/zinc/25/76/05/1169257605.db2.gz	FYFISRDNAJKRHJ-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1cncc(-c2cc(C)ccc2O)c1	156876106	1169259432	/nfs/dbraw/zinc/25/94/32/1169259432.db2.gz	DBUQIEMEANZOTN-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1cncc(-c2ccc(O)c(C)c2)c1	156876417	1169259485	/nfs/dbraw/zinc/25/94/85/1169259485.db2.gz	LMLCBLNCRHZMLE-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1cncc(-c2ccc(O)cc2C)c1	156876846	1169259561	/nfs/dbraw/zinc/25/95/61/1169259561.db2.gz	RTGIVHPILORSRN-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1ccc(N[C@@H](C)C(C)(C)C)nc1	162827988	1169264550	/nfs/dbraw/zinc/26/45/50/1169264550.db2.gz	GCDWLYLTCHNKLG-JTQLQIEISA-N	0	0	192.306	3.237	10	0		AGAERN
Cc1cccnc1N[C@@H](C)C(C)(C)C	162840626	1169264643	/nfs/dbraw/zinc/26/46/43/1169264643.db2.gz	CQZNDJJYMXSROP-JTQLQIEISA-N	0	0	192.306	3.237	10	0		AGAERN
CC[C@H](C)Nc1ccc(F)c(OC)c1	162884528	1169265692	/nfs/dbraw/zinc/26/56/92/1169265692.db2.gz	DQZHLWAQAURXGY-QMMMGPOBSA-N	0	0	197.253	3.045	10	0		AGAERN
C[C@H](Nc1cccc(N)c1)C(C)(C)C	162642668	1169265815	/nfs/dbraw/zinc/26/58/15/1169265815.db2.gz	NPPLWFBHSDPBSX-VIFPVBQESA-N	0	0	192.306	3.115	10	0		AGAERN
C[C@H](Nc1ncccc1F)C(C)(C)C	162835447	1169266265	/nfs/dbraw/zinc/26/62/65/1169266265.db2.gz	IMPDQGSCFQFGFN-QMMMGPOBSA-N	0	0	196.269	3.067	10	0		AGAERN
CC[C@@H](C)Nc1ccc(F)c(OC)c1	162884398	1169266457	/nfs/dbraw/zinc/26/64/57/1169266457.db2.gz	DQZHLWAQAURXGY-MRVPVSSYSA-N	0	0	197.253	3.045	10	0		AGAERN
C[C@H]1CCC[C@@H](Oc2cccnc2)C1	163015945	1169267446	/nfs/dbraw/zinc/26/74/46/1169267446.db2.gz	ZDTDINCXBFDWFW-WDEREUQCSA-N	0	0	191.274	3.039	10	0		AGAERN
C[C@H]1CCC[C@H](Oc2cccnc2)C1	163015710	1169268333	/nfs/dbraw/zinc/26/83/33/1169268333.db2.gz	ZDTDINCXBFDWFW-QWRGUYRKSA-N	0	0	191.274	3.039	10	0		AGAERN
C[C@@H]1CCC[C@@H](Oc2cccnc2)C1	163015820	1169268427	/nfs/dbraw/zinc/26/84/27/1169268427.db2.gz	ZDTDINCXBFDWFW-GHMZBOCLSA-N	0	0	191.274	3.039	10	0		AGAERN
CCCCCCn1cc(C)nc1CC	163192423	1169268516	/nfs/dbraw/zinc/26/85/16/1169268516.db2.gz	MBDOPTWQHZAAQS-UHFFFAOYSA-N	0	0	194.322	3.334	10	0		AGAERN
C[C@@H]1CCC[C@H](Oc2cccnc2)C1	163015636	1169268796	/nfs/dbraw/zinc/26/87/96/1169268796.db2.gz	ZDTDINCXBFDWFW-MNOVXSKESA-N	0	0	191.274	3.039	10	0		AGAERN
CCc1ccc(OC2CCC2)cc1	164338795	1169269243	/nfs/dbraw/zinc/26/92/43/1169269243.db2.gz	OIHRDMZROZGYMH-UHFFFAOYSA-N	0	0	176.259	3.180	10	0		AGAERN
C=Cc1ccc2nc(C)ccc2c1	164078514	1169270855	/nfs/dbraw/zinc/27/08/55/1169270855.db2.gz	NCJODDFKAZRQLO-UHFFFAOYSA-N	0	0	169.227	3.186	10	0		AGAERN
CC[C@@H](C)c1cc(F)cc(F)c1	165823200	1169273504	/nfs/dbraw/zinc/27/35/04/1169273504.db2.gz	DEZZIZKSKMCWDQ-SSDOTTSWSA-N	0	0	170.202	3.478	10	0		AGAERN
CC[C@H](C)c1cc(F)cc(F)c1	165823323	1169273918	/nfs/dbraw/zinc/27/39/18/1169273918.db2.gz	DEZZIZKSKMCWDQ-ZETCQYMHSA-N	0	0	170.202	3.478	10	0		AGAERN
Cc1sccc1-c1ccc(O)cc1	165920928	1169274213	/nfs/dbraw/zinc/27/42/13/1169274213.db2.gz	VURBHGRDNPQFLN-UHFFFAOYSA-N	0	0	190.267	3.429	10	0		AGAERN
N#CCCCc1coc2ccccc12	165765391	1169274898	/nfs/dbraw/zinc/27/48/98/1169274898.db2.gz	UFSDITWRMUVQRI-UHFFFAOYSA-N	0	0	185.226	3.279	10	0		AGAERN
Fc1ccccc1-c1ccoc1	165843701	1169275852	/nfs/dbraw/zinc/27/58/52/1169275852.db2.gz	ZKSANKHSKYEHRI-UHFFFAOYSA-N	0	0	162.163	3.086	10	0		AGAERN
CC(=O)c1cccc(CC(C)(C)C)c1	166964192	1169277911	/nfs/dbraw/zinc/27/79/11/1169277911.db2.gz	UDLXLRMGSSGPQB-UHFFFAOYSA-N	0	0	190.286	3.478	10	0		AGAERN
C/C=C(/C)C(=O)O[C@@H](CC)CCC	199447570	674059142	/nfs/dbraw/zinc/05/91/42/674059142.db2.gz	PGRIJRPYKDZIPV-MBACFSSFSA-N	0	0	184.279	3.075	10	0		AGAERN
CCCC(=O)OCC1CCCCCC1	199496879	674059181	/nfs/dbraw/zinc/05/91/81/674059181.db2.gz	DJPNRSLZMALPHI-UHFFFAOYSA-N	0	0	198.306	3.300	10	0		AGAERN
CC(=O)c1ccc(CC(C)(C)C)cc1	166965513	1169280008	/nfs/dbraw/zinc/28/00/08/1169280008.db2.gz	ZYWHLWBSXHIVRT-UHFFFAOYSA-N	0	0	190.286	3.478	10	0		AGAERN
Cc1cccc(-c2cc(C)nc(C)n2)c1	167269409	1169281219	/nfs/dbraw/zinc/28/12/19/1169281219.db2.gz	JOECOQHRLZXXKM-UHFFFAOYSA-N	0	0	198.269	3.069	10	0		AGAERN
CC[C@H](C)c1c(OC)cccc1OC	167052035	1169282661	/nfs/dbraw/zinc/28/26/61/1169282661.db2.gz	HPNZDGHYUDDJOA-VIFPVBQESA-N	0	0	194.274	3.217	10	0		AGAERN
C=Cc1ccc2nccc(C)c2c1	167353430	1169282745	/nfs/dbraw/zinc/28/27/45/1169282745.db2.gz	VPLDEUZEPCQNEI-UHFFFAOYSA-N	0	0	169.227	3.186	10	0		AGAERN
CC[C@@H](C)c1c(OC)cccc1OC	167051915	1169283361	/nfs/dbraw/zinc/28/33/61/1169283361.db2.gz	HPNZDGHYUDDJOA-SECBINFHSA-N	0	0	194.274	3.217	10	0		AGAERN
CCCc1ccc(Cl)cc1OC	167371780	1169285929	/nfs/dbraw/zinc/28/59/29/1169285929.db2.gz	OSLCCURZLLRWIC-UHFFFAOYSA-N	0	0	184.666	3.301	10	0		AGAERN
Cc1ccccc1Cc1ccc(O)cc1	167664974	1169286695	/nfs/dbraw/zinc/28/66/95/1169286695.db2.gz	XGXSAYZIOUXKFM-UHFFFAOYSA-N	0	0	198.265	3.291	10	0		AGAERN
C=Cc1cccc(C(C)(C)C)n1	167728086	1169286733	/nfs/dbraw/zinc/28/67/33/1169286733.db2.gz	RXSLNFHLOCSKPO-UHFFFAOYSA-N	0	0	161.248	3.022	10	0		AGAERN
CCc1ccc(F)c(OC(C)C)c1	168536182	1169289949	/nfs/dbraw/zinc/28/99/49/1169289949.db2.gz	OOAMDMPJGLAPSS-UHFFFAOYSA-N	0	0	182.238	3.175	10	0		AGAERN
CC(C)Oc1cccc2ncccc12	168781173	1169289963	/nfs/dbraw/zinc/28/99/63/1169289963.db2.gz	VZIDRHAEEIMARG-UHFFFAOYSA-N	0	0	187.242	3.022	10	0		AGAERN
Cc1ccc(OC(C)C)cc1Cl	168632850	1169291239	/nfs/dbraw/zinc/29/12/39/1169291239.db2.gz	JWZUXKLZCSCWEF-UHFFFAOYSA-N	0	0	184.666	3.436	10	0		AGAERN
Cc1cc(CC(C)C)cc(C)c1O	169042831	1169293178	/nfs/dbraw/zinc/29/31/78/1169293178.db2.gz	BQYKOBXFLJDVDB-UHFFFAOYSA-N	0	0	178.275	3.208	10	0		AGAERN
Cc1ccc(O)c(CC(C)(C)C)c1	168978474	1169293828	/nfs/dbraw/zinc/29/38/28/1169293828.db2.gz	OMNATUJQPMOABM-UHFFFAOYSA-N	0	0	178.275	3.289	10	0		AGAERN
CCc1cncc(-c2ccccc2)c1	169070204	1169293847	/nfs/dbraw/zinc/29/38/47/1169293847.db2.gz	DRZOOYMYAOIBLD-UHFFFAOYSA-N	0	0	183.254	3.311	10	0		AGAERN
O=C(CC1=CCCC1)c1ccccc1	196068197	1169294891	/nfs/dbraw/zinc/29/48/91/1169294891.db2.gz	RHYOGPKRNNKWFM-UHFFFAOYSA-N	0	0	186.254	3.370	10	0		AGAERN
c1ccc(-c2ccc3c(n2)CCC3)cc1	196356352	1169295409	/nfs/dbraw/zinc/29/54/09/1169295409.db2.gz	VNNFFQBNORLAJF-UHFFFAOYSA-N	0	0	195.265	3.237	10	0		AGAERN
CC(C)(C)N[P@@](C)(=O)C(C)(C)C	300980	674075907	/nfs/dbraw/zinc/07/59/07/674075907.db2.gz	GDQSPKMNNLMWSD-LBPRGKRZSA-N	0	0	191.255	3.081	10	0		AGAERN
CC(C)(C)N[P@](C)(=O)C(C)(C)C	300979	674075951	/nfs/dbraw/zinc/07/59/51/674075951.db2.gz	GDQSPKMNNLMWSD-GFCCVEGCSA-N	0	0	191.255	3.081	10	0		AGAERN
COc1ccc(O)cc1C1CCCC1	196423510	1169295571	/nfs/dbraw/zinc/29/55/71/1169295571.db2.gz	DXEAVGXEKMWMAU-UHFFFAOYSA-N	0	0	192.258	3.058	10	0		AGAERN
Cc1ccc(Cc2ccccc2)c(O)c1	196449124	1169295725	/nfs/dbraw/zinc/29/57/25/1169295725.db2.gz	GFKNCXXAEJJPNC-UHFFFAOYSA-N	0	0	198.265	3.291	10	0		AGAERN
Fc1cccc(C2=CCCC2)c1	196367271	1169295881	/nfs/dbraw/zinc/29/58/81/1169295881.db2.gz	KEZXWDBHSVLNMM-UHFFFAOYSA-N	0	0	162.207	3.393	10	0		AGAERN
C[C@H](O)c1ccc(CC(C)(C)C)cc1	196870915	1169296465	/nfs/dbraw/zinc/29/64/65/1169296465.db2.gz	NZDGZHTUVZUCSA-JTQLQIEISA-N	0	0	192.302	3.329	10	0		AGAERN
C[C@@H](O)c1ccc(CC(C)(C)C)cc1	196870920	1169296600	/nfs/dbraw/zinc/29/66/00/1169296600.db2.gz	NZDGZHTUVZUCSA-SNVBAGLBSA-N	0	0	192.302	3.329	10	0		AGAERN
CC[C@@H](C)c1cccc(OC)c1OC	197939410	1169296928	/nfs/dbraw/zinc/29/69/28/1169296928.db2.gz	SNSMNRSXMURDOX-SECBINFHSA-N	0	0	194.274	3.217	10	0		AGAERN
CC[C@H](C)c1cccc(OC)c1OC	197939415	1169297180	/nfs/dbraw/zinc/29/71/80/1169297180.db2.gz	SNSMNRSXMURDOX-VIFPVBQESA-N	0	0	194.274	3.217	10	0		AGAERN
CCCC(=O)O[C@@H]1CCC=CCCC1	38647637	674078691	/nfs/dbraw/zinc/07/86/91/674078691.db2.gz	XUEDLQFTUOWOOY-LLVKDONJSA-N	0	0	196.290	3.219	10	0		AGAERN
COc1ccc(F)c(CC(C)(C)C)c1	200144520	1169298893	/nfs/dbraw/zinc/29/88/93/1169298893.db2.gz	WXHZPYLMZWYOTK-UHFFFAOYSA-N	0	0	196.265	3.423	10	0		AGAERN
CCc1cc(OC(C)C)ccc1C	200176754	1169299153	/nfs/dbraw/zinc/29/91/53/1169299153.db2.gz	ZNGCKPKHKMGFQV-UHFFFAOYSA-N	0	0	178.275	3.345	10	0		AGAERN
Cc1ccc(-c2cncc(C)c2)cc1	200264126	1169299681	/nfs/dbraw/zinc/29/96/81/1169299681.db2.gz	GDMNRHFVLJCZPR-UHFFFAOYSA-N	0	0	183.254	3.365	10	0		AGAERN
CC(C)Cc1ccc(CO)c(Cl)c1	200059410	1169300019	/nfs/dbraw/zinc/30/00/19/1169300019.db2.gz	CBHPSRSFMLTCLF-UHFFFAOYSA-N	0	0	198.693	3.031	10	0		AGAERN
CCCC[C@H](C)C(=O)OCC1(C)CC1	800411782	674080715	/nfs/dbraw/zinc/08/07/15/674080715.db2.gz	OOWZFFPILQOZSS-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
CCCC[C@@H](C)C(=O)OCC1(C)CC1	800411784	674080874	/nfs/dbraw/zinc/08/08/74/674080874.db2.gz	OOWZFFPILQOZSS-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
Cc1ccc(-c2ccc(C)c(C)n2)cn1	201046379	1169300535	/nfs/dbraw/zinc/30/05/35/1169300535.db2.gz	CLULIJIYBDZFEJ-UHFFFAOYSA-N	0	0	198.269	3.069	10	0		AGAERN
CC(C)CC(=O)OCC1CC(C)(C)C1	802289733	674081553	/nfs/dbraw/zinc/08/15/53/674081553.db2.gz	KNJFZDHGKGSKCO-UHFFFAOYSA-N	0	0	198.306	3.012	10	0		AGAERN
CC1(C)CC(COC(=O)C(C)(C)C)C1	802295164	674081557	/nfs/dbraw/zinc/08/15/57/674081557.db2.gz	YSCYTBNIHRIMBD-UHFFFAOYSA-N	0	0	198.306	3.012	10	0		AGAERN
CC[C@H](C)C(=O)OCC1CC(C)(C)C1	802294751	674081632	/nfs/dbraw/zinc/08/16/32/674081632.db2.gz	MBQHFDMMIVJITM-VIFPVBQESA-N	0	0	198.306	3.012	10	0		AGAERN
CC[C@@H](C)C(=O)OCC1CC(C)(C)C1	802294750	674081667	/nfs/dbraw/zinc/08/16/67/674081667.db2.gz	MBQHFDMMIVJITM-SECBINFHSA-N	0	0	198.306	3.012	10	0		AGAERN
COc1ccnc(-c2ccc(C)cc2)c1	202199232	1169305245	/nfs/dbraw/zinc/30/52/45/1169305245.db2.gz	PEFOBGJDYTWDLW-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
CCCNc1ccc(C(C)(C)C)cn1	201098553	1169302357	/nfs/dbraw/zinc/30/23/57/1169302357.db2.gz	STWGJTZWXIQLHF-UHFFFAOYSA-N	0	0	192.306	3.201	10	0		AGAERN
Cc1cccc(-c2ccc(C)nc2C)n1	201047936	1169302386	/nfs/dbraw/zinc/30/23/86/1169302386.db2.gz	LUHMDOUMZKCKOO-UHFFFAOYSA-N	0	0	198.269	3.069	10	0		AGAERN
Cc1ccccc1-c1cc(F)ccn1	200780509	1169303536	/nfs/dbraw/zinc/30/35/36/1169303536.db2.gz	KNVRCPYAJYHGJM-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
COc1ccc(OC)c(C=C(C)C)c1	201818557	1169305302	/nfs/dbraw/zinc/30/53/02/1169305302.db2.gz	RBCAKMBIDPHFIU-UHFFFAOYSA-N	0	0	192.258	3.127	10	0		AGAERN
Cc1ccc(C)c(CC(F)(F)F)c1	204205941	1169311208	/nfs/dbraw/zinc/31/12/08/1169311208.db2.gz	MHUCVQYHNMFPGX-UHFFFAOYSA-N	0	0	188.192	3.408	10	0		AGAERN
CCc1cccc(-c2ccncc2)c1	204296737	1169311385	/nfs/dbraw/zinc/31/13/85/1169311385.db2.gz	JATGRWCXNYAHBL-UHFFFAOYSA-N	0	0	183.254	3.311	10	0		AGAERN
c1csc(CC2CCCCC2)n1	204250844	1169311484	/nfs/dbraw/zinc/31/14/84/1169311484.db2.gz	NHCMYORBPGTORD-UHFFFAOYSA-N	0	0	181.304	3.266	10	0		AGAERN
CCc1ccc(SC)cc1C	203956374	1169311513	/nfs/dbraw/zinc/31/15/13/1169311513.db2.gz	WIQRXIAOCLPRMF-UHFFFAOYSA-N	0	0	166.289	3.279	10	0		AGAERN
CCc1ccc(F)c(Cl)c1F	204316330	1169311766	/nfs/dbraw/zinc/31/17/66/1169311766.db2.gz	TZZBFCHMQYCIAV-UHFFFAOYSA-N	0	0	176.593	3.181	10	0		AGAERN
CCc1cc(F)cc(OC(C)C)c1	204304476	1169312197	/nfs/dbraw/zinc/31/21/97/1169312197.db2.gz	CQYFYKLMZUCSSZ-UHFFFAOYSA-N	0	0	182.238	3.175	10	0		AGAERN
CCOc1c(F)cc(C)cc1Cl	203978991	1169312436	/nfs/dbraw/zinc/31/24/36/1169312436.db2.gz	QNNUMOCFMFUZMT-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
CCc1c(F)ccc(Cl)c1F	203917958	1169312462	/nfs/dbraw/zinc/31/24/62/1169312462.db2.gz	JRBNKXFMWJVMLP-UHFFFAOYSA-N	0	0	176.593	3.181	10	0		AGAERN
CCc1ccc(OC(C)C)cc1F	204304561	1169313267	/nfs/dbraw/zinc/31/32/67/1169313267.db2.gz	JZEIBCZAZBTRQK-UHFFFAOYSA-N	0	0	182.238	3.175	10	0		AGAERN
CCc1cccc(OC(C)C)c1F	204378130	1169313788	/nfs/dbraw/zinc/31/37/88/1169313788.db2.gz	OHZVMIRWMKNSCK-UHFFFAOYSA-N	0	0	182.238	3.175	10	0		AGAERN
CCc1ccc(OC)c(OC(C)C)c1	204384278	1169313818	/nfs/dbraw/zinc/31/38/18/1169313818.db2.gz	MSBCVYPPLFIEHQ-UHFFFAOYSA-N	0	0	194.274	3.045	10	0		AGAERN
CCc1c(F)cccc1OC(C)C	204378163	1169314129	/nfs/dbraw/zinc/31/41/29/1169314129.db2.gz	AVAGSQSCYXWTIX-UHFFFAOYSA-N	0	0	182.238	3.175	10	0		AGAERN
CC[C@@H](C)c1ccc(F)c(F)c1	205172494	1169315076	/nfs/dbraw/zinc/31/50/76/1169315076.db2.gz	XWPZZPAQWXFCMW-SSDOTTSWSA-N	0	0	170.202	3.478	10	0		AGAERN
CCc1cc(OC(C)C)ccc1F	204382678	1169315466	/nfs/dbraw/zinc/31/54/66/1169315466.db2.gz	NPNNZFBEMONAPP-UHFFFAOYSA-N	0	0	182.238	3.175	10	0		AGAERN
CC(C)(C)Cc1cnn(C(C)(C)C)c1	204571724	1169315500	/nfs/dbraw/zinc/31/55/00/1169315500.db2.gz	HYYHGGJQDVXWED-UHFFFAOYSA-N	0	0	194.322	3.227	10	0		AGAERN
CC[C@H](C)c1ccc(F)c(F)c1	205172510	1169316502	/nfs/dbraw/zinc/31/65/02/1169316502.db2.gz	XWPZZPAQWXFCMW-ZETCQYMHSA-N	0	0	170.202	3.478	10	0		AGAERN
CCc1ccc(SC)c(F)c1	204384539	1169316851	/nfs/dbraw/zinc/31/68/51/1169316851.db2.gz	KETRTEQYTCREJG-UHFFFAOYSA-N	0	0	170.252	3.110	10	0		AGAERN
CCc1cc(F)c(Cl)c(F)c1	204631332	1169317343	/nfs/dbraw/zinc/31/73/43/1169317343.db2.gz	MQMYJGJILXPERH-UHFFFAOYSA-N	0	0	176.593	3.181	10	0		AGAERN
CCc1cc(F)c(F)cc1Cl	205281855	1169320232	/nfs/dbraw/zinc/32/02/32/1169320232.db2.gz	JJVNZDGGRLNARP-UHFFFAOYSA-N	0	0	176.593	3.181	10	0		AGAERN
CCO[C@H]1Cc2cccc3cccc1c23	205514340	1169320296	/nfs/dbraw/zinc/32/02/96/1169320296.db2.gz	SCQLKXRNVQCROJ-ZDUSSCGKSA-N	0	0	198.265	3.474	10	0		AGAERN
CCO[C@@H]1Cc2cccc3cccc1c23	205514325	1169320432	/nfs/dbraw/zinc/32/04/32/1169320432.db2.gz	SCQLKXRNVQCROJ-CYBMUJFWSA-N	0	0	198.265	3.474	10	0		AGAERN
C=Cc1ccc(C(C)(C)C)cn1	208351835	1169323043	/nfs/dbraw/zinc/32/30/43/1169323043.db2.gz	NBPLFKSTFGZWCL-UHFFFAOYSA-N	0	0	161.248	3.022	10	0		AGAERN
Cc1ccc(-c2cc(C)nc(C)n2)cc1	210562328	1169323839	/nfs/dbraw/zinc/32/38/39/1169323839.db2.gz	SHNAGHWVYZEVFI-UHFFFAOYSA-N	0	0	198.269	3.069	10	0		AGAERN
CCCc1nc2c(C)cc(C)cc2[nH]1	211169751	1169326379	/nfs/dbraw/zinc/32/63/79/1169326379.db2.gz	QDBBTPRTLXPTKN-UHFFFAOYSA-N	0	0	188.274	3.132	10	0		AGAERN
COc1cccc(-c2ccncc2C)c1	211378701	1169326884	/nfs/dbraw/zinc/32/68/84/1169326884.db2.gz	AZUROHDDQBYTAZ-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
CCc1cc2c(C)cccc2[nH]1	212074823	1169330175	/nfs/dbraw/zinc/33/01/75/1169330175.db2.gz	ZCBFNLIRQXDWAS-UHFFFAOYSA-N	0	0	159.232	3.039	10	0		AGAERN
Cc1cccc2[nH]c(C3CC3)cc12	212487266	1169330569	/nfs/dbraw/zinc/33/05/69/1169330569.db2.gz	ACIUBGFAYOYMOS-UHFFFAOYSA-N	0	0	171.243	3.354	10	0		AGAERN
COc1cccc2[nH]c(C(C)C)cc12	213413911	1169333525	/nfs/dbraw/zinc/33/35/25/1169333525.db2.gz	KJAOEFJEFUZCCQ-UHFFFAOYSA-N	0	0	189.258	3.300	10	0		AGAERN
c1cnc2[nH]cc(C3CCCC3)c2c1	213253187	1169333659	/nfs/dbraw/zinc/33/36/59/1169333659.db2.gz	ZTOMRVQNYBIYBS-UHFFFAOYSA-N	0	0	186.258	3.221	10	0		AGAERN
Fc1cccc(-c2cscn2)c1F	217519700	1169337052	/nfs/dbraw/zinc/33/70/52/1169337052.db2.gz	RASBJOKHGBQPBA-UHFFFAOYSA-N	0	0	197.209	3.088	10	0		AGAERN
Cc1sccc1CCCCF	218583088	1169343460	/nfs/dbraw/zinc/34/34/60/1169343460.db2.gz	PDOPWOHVAQXXLJ-UHFFFAOYSA-N	0	0	172.268	3.349	10	0		AGAERN
CC[C@H](C)Nc1cc(C)cc(Cl)n1	219739721	1169346274	/nfs/dbraw/zinc/34/62/74/1169346274.db2.gz	VUUBRPIWHSFYEA-QMMMGPOBSA-N	0	0	198.697	3.254	10	0		AGAERN
CCCCNc1cc(C)cc(Cl)n1	219739460	1169346890	/nfs/dbraw/zinc/34/68/90/1169346890.db2.gz	QPZYFEJHYUVGRW-UHFFFAOYSA-N	0	0	198.697	3.255	10	0		AGAERN
CC[C@@H](C)Nc1cc(C)cc(Cl)n1	219739647	1169347407	/nfs/dbraw/zinc/34/74/07/1169347407.db2.gz	VUUBRPIWHSFYEA-MRVPVSSYSA-N	0	0	198.697	3.254	10	0		AGAERN
Cc1cc(Cl)nc(NCC(C)C)c1	219739559	1169347433	/nfs/dbraw/zinc/34/74/33/1169347433.db2.gz	WIGCZBXZSZWSKW-UHFFFAOYSA-N	0	0	198.697	3.111	10	0		AGAERN
C=Cc1ccc2ccoc2c1	219983204	1169348692	/nfs/dbraw/zinc/34/86/92/1169348692.db2.gz	SSFYXFAESNSDJC-UHFFFAOYSA-N	0	0	144.173	3.076	10	0		AGAERN
c1nc2cc(C3CC3)ccc2s1	220761952	1169351088	/nfs/dbraw/zinc/35/10/88/1169351088.db2.gz	YHEZORXATMYAHQ-UHFFFAOYSA-N	0	0	175.256	3.174	10	0		AGAERN
Cc1ccccc1Cc1ccncc1C	221178183	1169351098	/nfs/dbraw/zinc/35/10/98/1169351098.db2.gz	AWOBNDIMAMVGAN-UHFFFAOYSA-N	0	0	197.281	3.289	10	0		AGAERN
COc1cccnc1-c1ccc(C)cc1	221844508	1169352508	/nfs/dbraw/zinc/35/25/08/1169352508.db2.gz	JCOYNUDZDPPOCH-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
Cc1cccc(-c2cc(F)ccn2)c1	222815438	1169359537	/nfs/dbraw/zinc/35/95/37/1169359537.db2.gz	ZEZNTWDNOHRNSS-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Fc1ccccc1OCCCC1CC1	223508867	1169361837	/nfs/dbraw/zinc/36/18/37/1169361837.db2.gz	WPSDMQVKFQREFV-UHFFFAOYSA-N	0	0	194.249	3.395	10	0		AGAERN
Cc1ccc(-c2cc(F)ccn2)cc1	224651787	1169365761	/nfs/dbraw/zinc/36/57/61/1169365761.db2.gz	NUUULLOSDHSCCS-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
CC1CCC(Oc2ccncc2)CC1	224239667	1169366268	/nfs/dbraw/zinc/36/62/68/1169366268.db2.gz	DLXHFXHCVCYSNS-UHFFFAOYSA-N	0	0	191.274	3.039	10	0		AGAERN
CC(C)[C@H](C)Oc1ccc(F)cc1	224922918	1169366924	/nfs/dbraw/zinc/36/69/24/1169366924.db2.gz	BTNUMCKSUFGXLA-VIFPVBQESA-N	0	0	182.238	3.249	10	0		AGAERN
CC(C)[C@@H](C)Oc1ccc(F)cc1	224923252	1169367210	/nfs/dbraw/zinc/36/72/10/1169367210.db2.gz	BTNUMCKSUFGXLA-SECBINFHSA-N	0	0	182.238	3.249	10	0		AGAERN
CCc1ccc(OC(C)C)c(C)c1	224986252	1169369533	/nfs/dbraw/zinc/36/95/33/1169369533.db2.gz	STJOHFJOBKFDAX-UHFFFAOYSA-N	0	0	178.275	3.345	10	0		AGAERN
Cc1cc(C(C)C)ccc1N(C)C	224994592	1169369672	/nfs/dbraw/zinc/36/96/72/1169369672.db2.gz	OWHCDAXHKCQKCP-UHFFFAOYSA-N	0	0	177.291	3.184	10	0		AGAERN
CC[C@H](C)c1cc(C)c(N)c(C)c1	225637086	1169371607	/nfs/dbraw/zinc/37/16/07/1169371607.db2.gz	XSECGCKMIZVTRA-QMMMGPOBSA-N	0	0	177.291	3.399	10	0		AGAERN
CC[C@@H](C)c1cc(C)c(N)c(C)c1	225637064	1169371873	/nfs/dbraw/zinc/37/18/73/1169371873.db2.gz	XSECGCKMIZVTRA-MRVPVSSYSA-N	0	0	177.291	3.399	10	0		AGAERN
CC(C)Oc1nsc2ccccc12	226206429	1169376450	/nfs/dbraw/zinc/37/64/50/1169376450.db2.gz	QRQVVTRWLJVFAK-UHFFFAOYSA-N	0	0	193.271	3.084	10	0		AGAERN
CC[C@@H](C)Oc1ccc(C)c(F)c1	226440212	1169377356	/nfs/dbraw/zinc/37/73/56/1169377356.db2.gz	DBCQBNJEEXASSE-SECBINFHSA-N	0	0	182.238	3.311	10	0		AGAERN
CC[C@H](C)Oc1ccc(C)c(F)c1	226440217	1169377949	/nfs/dbraw/zinc/37/79/49/1169377949.db2.gz	DBCQBNJEEXASSE-VIFPVBQESA-N	0	0	182.238	3.311	10	0		AGAERN
CCCCc1ccc(Cl)c(O)c1	229612345	1169391169	/nfs/dbraw/zinc/39/11/69/1169391169.db2.gz	PSPSPTLRVMNSDK-UHFFFAOYSA-N	0	0	184.666	3.388	10	0		AGAERN
Cc1cc(-c2ccc(O)cc2C)ccn1	229601091	1169391534	/nfs/dbraw/zinc/39/15/34/1169391534.db2.gz	WAYCLKSABQYFOS-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1cc(-c2ccc(O)c(C)c2)ccn1	229601110	1169392060	/nfs/dbraw/zinc/39/20/60/1169392060.db2.gz	VZAKRPFWMZHUHG-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1ccc(O)c(-c2ccnc(C)c2)c1	229601214	1169392519	/nfs/dbraw/zinc/39/25/19/1169392519.db2.gz	OOLDMFFHRZNLLU-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
CCC[C@H](C)Oc1ccnc(Cl)c1	230441800	1169397749	/nfs/dbraw/zinc/39/77/49/1169397749.db2.gz	DNNDODOAKJEIBT-QMMMGPOBSA-N	0	0	199.681	3.302	10	0		AGAERN
Fc1cccc(F)c1OC1CCCC1	230448399	1169397877	/nfs/dbraw/zinc/39/78/77/1169397877.db2.gz	LHUFTVBQLRQCFD-UHFFFAOYSA-N	0	0	198.212	3.286	10	0		AGAERN
CCC[C@H](CC)C(=O)O[C@@H](C)C1CC1	230546008	1169398259	/nfs/dbraw/zinc/39/82/59/1169398259.db2.gz	XHFVEVRYEYWMHA-UWVGGRQHSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC[C@@H](CC)C(=O)O[C@@H](C)C1CC1	230545966	1169398934	/nfs/dbraw/zinc/39/89/34/1169398934.db2.gz	XHFVEVRYEYWMHA-VHSXEESVSA-N	0	0	198.306	3.154	10	0		AGAERN
Cc1nc2cc(CC(C)C)ccc2[nH]1	230496879	1169399305	/nfs/dbraw/zinc/39/93/05/1169399305.db2.gz	JKNXYYRTZSIIPU-UHFFFAOYSA-N	0	0	188.274	3.070	10	0		AGAERN
CCC[C@@H](C)Oc1ccnc(Cl)c1	230441794	1169399521	/nfs/dbraw/zinc/39/95/21/1169399521.db2.gz	DNNDODOAKJEIBT-MRVPVSSYSA-N	0	0	199.681	3.302	10	0		AGAERN
c1ccc2c(-c3cnoc3)cccc2c1	230575826	1169400099	/nfs/dbraw/zinc/40/00/99/1169400099.db2.gz	VCTALQDEBCWXDF-UHFFFAOYSA-N	0	0	195.221	3.495	10	0		AGAERN
CC(C)Oc1ccc2cnccc2c1	230533158	1169400360	/nfs/dbraw/zinc/40/03/60/1169400360.db2.gz	RIQXGSMNHPFSDH-UHFFFAOYSA-N	0	0	187.242	3.022	10	0		AGAERN
CC(C)=CCOc1cc(F)ccc1C	230693100	1169401906	/nfs/dbraw/zinc/40/19/06/1169401906.db2.gz	CEAIMDURUMHSFZ-UHFFFAOYSA-N	0	0	194.249	3.479	10	0		AGAERN
CCc1ccc(C)c(OC(C)C)c1	231252573	1169402519	/nfs/dbraw/zinc/40/25/19/1169402519.db2.gz	NQXCNSPHKBELJI-UHFFFAOYSA-N	0	0	178.275	3.345	10	0		AGAERN
CSCCO[C@@H](C)c1ccccc1	231932382	1169405611	/nfs/dbraw/zinc/40/56/11/1169405611.db2.gz	SMYMRRCFKJJLEL-JTQLQIEISA-N	0	0	196.315	3.127	10	0		AGAERN
CC[C@H](C)Oc1cccc(C)c1F	232331305	1169406106	/nfs/dbraw/zinc/40/61/06/1169406106.db2.gz	RKAHGWYQYCGJFM-VIFPVBQESA-N	0	0	182.238	3.311	10	0		AGAERN
CC[C@@H](C)Oc1cccc(C)c1F	232331303	1169406401	/nfs/dbraw/zinc/40/64/01/1169406401.db2.gz	RKAHGWYQYCGJFM-SECBINFHSA-N	0	0	182.238	3.311	10	0		AGAERN
c1ccc(NCCC2CCC2)cc1	232159385	1169406754	/nfs/dbraw/zinc/40/67/54/1169406754.db2.gz	KBFALMXENNFJPP-UHFFFAOYSA-N	0	0	175.275	3.289	10	0		AGAERN
CCC(CC)Oc1cc(C)cc(O)c1	232397170	1169407083	/nfs/dbraw/zinc/40/70/83/1169407083.db2.gz	NMQODGCKBZSJKI-UHFFFAOYSA-N	0	0	194.274	3.268	10	0		AGAERN
CCCCNc1ccc(Cl)nc1C	232969200	1169408401	/nfs/dbraw/zinc/40/84/01/1169408401.db2.gz	VMRJGJMPGXFFAT-UHFFFAOYSA-N	0	0	198.697	3.255	10	0		AGAERN
CCC[C@@H](C)Oc1ccc(Cl)nc1	233281515	1169408557	/nfs/dbraw/zinc/40/85/57/1169408557.db2.gz	WCLOOGRBYJCQLK-MRVPVSSYSA-N	0	0	199.681	3.302	10	0		AGAERN
CCC[C@@H](C)Oc1cc(C)cc(O)c1	233279961	1169409803	/nfs/dbraw/zinc/40/98/03/1169409803.db2.gz	IJWAIQTWKWIMNT-SNVBAGLBSA-N	0	0	194.274	3.268	10	0		AGAERN
CCCCc1cc(C(C)=O)ccc1F	233008729	1169409939	/nfs/dbraw/zinc/40/99/39/1169409939.db2.gz	OJYTVVKPCZWTEE-UHFFFAOYSA-N	0	0	194.249	3.371	10	0		AGAERN
CCC(=O)Cc1ccc(C)cc1Cl	232926918	1169410492	/nfs/dbraw/zinc/41/04/92/1169410492.db2.gz	DCUDEBWMFVQTGI-UHFFFAOYSA-N	0	0	196.677	3.170	10	0		AGAERN
CCC[C@H](C)Oc1cccc(F)c1	233342978	1169411425	/nfs/dbraw/zinc/41/14/25/1169411425.db2.gz	MYTFMCKOHLRPSD-VIFPVBQESA-N	0	0	182.238	3.393	10	0		AGAERN
CCC[C@H](C)Oc1cccc(O)c1C	233343009	1169411934	/nfs/dbraw/zinc/41/19/34/1169411934.db2.gz	MPDGDYOOYXFRSR-VIFPVBQESA-N	0	0	194.274	3.268	10	0		AGAERN
CCC[C@H](C)Oc1cccnc1Cl	233343257	1169412185	/nfs/dbraw/zinc/41/21/85/1169412185.db2.gz	NHWZKRFKJBCKIC-QMMMGPOBSA-N	0	0	199.681	3.302	10	0		AGAERN
CCC[C@@H](C)Oc1cccc(O)c1C	233282335	1169412730	/nfs/dbraw/zinc/41/27/30/1169412730.db2.gz	MPDGDYOOYXFRSR-SECBINFHSA-N	0	0	194.274	3.268	10	0		AGAERN
CCC[C@@H](C)Oc1cccnc1Cl	233282578	1169412878	/nfs/dbraw/zinc/41/28/78/1169412878.db2.gz	NHWZKRFKJBCKIC-MRVPVSSYSA-N	0	0	199.681	3.302	10	0		AGAERN
CCC[C@H](C)Oc1ccc(Cl)nc1	233342158	1169413436	/nfs/dbraw/zinc/41/34/36/1169413436.db2.gz	WCLOOGRBYJCQLK-QMMMGPOBSA-N	0	0	199.681	3.302	10	0		AGAERN
CCC[C@@H](C)Oc1ccccc1F	233282533	1169413628	/nfs/dbraw/zinc/41/36/28/1169413628.db2.gz	LYSPHSFAXWRQFH-SECBINFHSA-N	0	0	182.238	3.393	10	0		AGAERN
CCC[C@H](C)Oc1cc(C)cc(O)c1	233340245	1169413646	/nfs/dbraw/zinc/41/36/46/1169413646.db2.gz	IJWAIQTWKWIMNT-JTQLQIEISA-N	0	0	194.274	3.268	10	0		AGAERN
CCC[C@H](C)Oc1ccccc1F	233343208	1169413812	/nfs/dbraw/zinc/41/38/12/1169413812.db2.gz	LYSPHSFAXWRQFH-VIFPVBQESA-N	0	0	182.238	3.393	10	0		AGAERN
CCC[C@@H](C)Oc1cccc(F)c1	233282288	1169413891	/nfs/dbraw/zinc/41/38/91/1169413891.db2.gz	MYTFMCKOHLRPSD-SECBINFHSA-N	0	0	182.238	3.393	10	0		AGAERN
CC[C@H](C)Oc1cccc(C)c1C	233983860	1169416142	/nfs/dbraw/zinc/41/61/42/1169416142.db2.gz	BANITTZLZUBRMY-JTQLQIEISA-N	0	0	178.275	3.481	10	0		AGAERN
c1cc2ccc(OC3CCC3)cc2[nH]1	238054534	1169417893	/nfs/dbraw/zinc/41/78/93/1169417893.db2.gz	YXQGVKNCQFWNMK-UHFFFAOYSA-N	0	0	187.242	3.099	10	0		AGAERN
c1cc2cc(OC3CCC3)ccc2o1	238054976	1169418564	/nfs/dbraw/zinc/41/85/64/1169418564.db2.gz	KBVXKULSDNEHIV-UHFFFAOYSA-N	0	0	188.226	3.364	10	0		AGAERN
c1cc2cc(OC3CCC3)ccc2[nH]1	238054439	1169418588	/nfs/dbraw/zinc/41/85/88/1169418588.db2.gz	FBQOWQKBZCNUGZ-UHFFFAOYSA-N	0	0	187.242	3.099	10	0		AGAERN
C=Cc1ccc(Nc2cccnc2)cc1	238134349	1169418871	/nfs/dbraw/zinc/41/88/71/1169418871.db2.gz	SQBXBYLDZXAEDM-UHFFFAOYSA-N	0	0	196.253	3.468	10	0		AGAERN
c1ccc2cc(OC3CC3)ccc2c1	238094406	1169419105	/nfs/dbraw/zinc/41/91/05/1169419105.db2.gz	HCPIKTHIQDLIHP-UHFFFAOYSA-N	0	0	184.238	3.381	10	0		AGAERN
C=C(OC1CCC1)c1ccccc1	238006464	1169419314	/nfs/dbraw/zinc/41/93/14/1169419314.db2.gz	ARYTXEZICDNHKG-UHFFFAOYSA-N	0	0	174.243	3.226	10	0		AGAERN
c1cc(OC2CCC2)c2cc[nH]c2c1	238053408	1169419444	/nfs/dbraw/zinc/41/94/44/1169419444.db2.gz	HSTDISKZLVEYBR-UHFFFAOYSA-N	0	0	187.242	3.099	10	0		AGAERN
CC(C)=CNc1cccnc1Cl	238160803	1169419530	/nfs/dbraw/zinc/41/95/30/1169419530.db2.gz	WMGZRXWIZRWACX-UHFFFAOYSA-N	0	0	182.654	3.071	10	0		AGAERN
c1cc(OC2CCC2)c2[nH]ccc2c1	238053547	1169419547	/nfs/dbraw/zinc/41/95/47/1169419547.db2.gz	ITXHGDMVXGZBLX-UHFFFAOYSA-N	0	0	187.242	3.099	10	0		AGAERN
COc1cc(C2CCCC2)ccc1O	238353794	1169420266	/nfs/dbraw/zinc/42/02/66/1169420266.db2.gz	ZYCMYRZICVNQQN-UHFFFAOYSA-N	0	0	192.258	3.058	10	0		AGAERN
Oc1cccc(Nc2ccsc2)c1	238680860	1169421265	/nfs/dbraw/zinc/42/12/65/1169421265.db2.gz	ZHWAHSHHIYRKLF-UHFFFAOYSA-N	0	0	191.255	3.197	10	0		AGAERN
Nc1ccc(C2CCCC2)c(F)c1	238637379	1169421367	/nfs/dbraw/zinc/42/13/67/1169421367.db2.gz	FYSYPHHTOXFJDK-UHFFFAOYSA-N	0	0	179.238	3.066	10	0		AGAERN
CC[C@@H](C)c1cc(CO)ccc1C	238798651	1169421744	/nfs/dbraw/zinc/42/17/44/1169421744.db2.gz	CNXUCKGFBQCIOR-SECBINFHSA-N	0	0	178.275	3.001	10	0		AGAERN
CC[C@@H](C)c1cc(C)c(CO)c(C)c1	238798631	1169421832	/nfs/dbraw/zinc/42/18/32/1169421832.db2.gz	UECKNMHHCYUYKC-SECBINFHSA-N	0	0	192.302	3.309	10	0		AGAERN
FC(F)c1ccc(OC2CC2)cc1	238659660	1169422218	/nfs/dbraw/zinc/42/22/18/1169422218.db2.gz	GLRSOVFTTVKZAZ-UHFFFAOYSA-N	0	0	184.185	3.165	10	0		AGAERN
c1ccc2cc(-c3cnoc3)ccc2c1	238687858	1169422880	/nfs/dbraw/zinc/42/28/80/1169422880.db2.gz	NZNJVMFLIFPVBR-UHFFFAOYSA-N	0	0	195.221	3.495	10	0		AGAERN
CC(C)OCc1coc2ccccc12	258997305	1169439191	/nfs/dbraw/zinc/43/91/91/1169439191.db2.gz	ZHKHSORLRRVANW-UHFFFAOYSA-N	0	0	190.242	3.358	10	0		AGAERN
CC(=O)c1ccccc1CC(C)(C)C	259638875	1169439237	/nfs/dbraw/zinc/43/92/37/1169439237.db2.gz	GMGZWYHUBBEEKW-UHFFFAOYSA-N	0	0	190.286	3.478	10	0		AGAERN
CCC(F)(F)c1ccccc1C	258960364	1169439691	/nfs/dbraw/zinc/43/96/91/1169439691.db2.gz	GPBSSSMJLMQAOS-UHFFFAOYSA-N	0	0	170.202	3.497	10	0		AGAERN
CC(C)(C)Cc1ccc(F)c(O)c1	259683552	1169440886	/nfs/dbraw/zinc/44/08/86/1169440886.db2.gz	JHZPMVGXSPZLCW-UHFFFAOYSA-N	0	0	182.238	3.120	10	0		AGAERN
CC(=O)c1cccc(CC2CCC2)c1	259712427	1169442195	/nfs/dbraw/zinc/44/21/95/1169442195.db2.gz	LGNMPGCYFPCOIQ-UHFFFAOYSA-N	0	0	188.270	3.232	10	0		AGAERN
CC(=O)c1ccccc1CC1CCC1	259844299	1169444095	/nfs/dbraw/zinc/44/40/95/1169444095.db2.gz	VWKGGWOWYFGDAJ-UHFFFAOYSA-N	0	0	188.270	3.232	10	0		AGAERN
CSc1ncc(C(C)C)n1C1CC1	306333074	1169472371	/nfs/dbraw/zinc/47/23/71/1169472371.db2.gz	DMSUGWAEFDXKAB-UHFFFAOYSA-N	0	0	196.319	3.063	10	0		AGAERN
Cc1cc(O)cc(O[C@H](C)C(C)C)c1	306539836	1169483303	/nfs/dbraw/zinc/48/33/03/1169483303.db2.gz	NZURGNJPSVYEPA-SNVBAGLBSA-N	0	0	194.274	3.124	10	0		AGAERN
Fc1cc(-c2ccccc2)cc(F)n1	306602528	1169484533	/nfs/dbraw/zinc/48/45/33/1169484533.db2.gz	WFEKTFVMABMARV-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
C=Cc1cc(F)c(OCC)cc1F	306687673	1169486996	/nfs/dbraw/zinc/48/69/96/1169486996.db2.gz	LTAKWFFYWMGQAZ-UHFFFAOYSA-N	0	0	184.185	3.007	10	0		AGAERN
COc1cccc(CC2=CCCC2)c1	306686048	1169487373	/nfs/dbraw/zinc/48/73/73/1169487373.db2.gz	JTOQRIOHFQSVSI-UHFFFAOYSA-N	0	0	188.270	3.348	10	0		AGAERN
Cc1cc(N)c(F)cc1C1=CCCC1	306702705	1169487530	/nfs/dbraw/zinc/48/75/30/1169487530.db2.gz	ARDYZMSMJFAWHW-UHFFFAOYSA-N	0	0	191.249	3.284	10	0		AGAERN
Cc1ccccc1-c1ccncc1C	306754973	1169489176	/nfs/dbraw/zinc/48/91/76/1169489176.db2.gz	OHCHKYGBSDQXMN-UHFFFAOYSA-N	0	0	183.254	3.365	10	0		AGAERN
Cc1c(F)ccnc1-c1ccccc1	306891305	1169491724	/nfs/dbraw/zinc/49/17/24/1169491724.db2.gz	HGAZRFHICLCNFF-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
CC[C@H](C)Oc1ccc(F)cc1F	306925071	1169492874	/nfs/dbraw/zinc/49/28/74/1169492874.db2.gz	LFCVLEQKRQEBHF-ZETCQYMHSA-N	0	0	186.201	3.142	10	0		AGAERN
CC[C@@H](C)Oc1ccc(F)cc1F	306925070	1169492948	/nfs/dbraw/zinc/49/29/48/1169492948.db2.gz	LFCVLEQKRQEBHF-SSDOTTSWSA-N	0	0	186.201	3.142	10	0		AGAERN
Cc1cc(-c2ccccc2)cc(F)n1	306912705	1169493652	/nfs/dbraw/zinc/49/36/52/1169493652.db2.gz	NMBMVCXYEHSULC-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
C=Cc1c(C)ncc2ccccc12	306944340	1169494563	/nfs/dbraw/zinc/49/45/63/1169494563.db2.gz	XRGAZKOBVQZKIA-UHFFFAOYSA-N	0	0	169.227	3.186	10	0		AGAERN
Cc1ccc(-c2ccccc2)nc1F	306941060	1169494583	/nfs/dbraw/zinc/49/45/83/1169494583.db2.gz	QKNBIDDAGDENAG-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
C=Cc1ccc2cnc(C)cc2c1	306942145	1169495442	/nfs/dbraw/zinc/49/54/42/1169495442.db2.gz	SAOHWJSCQDDLGU-UHFFFAOYSA-N	0	0	169.227	3.186	10	0		AGAERN
C=Cc1nc2ccccc2cc1C	307021871	1169497757	/nfs/dbraw/zinc/49/77/57/1169497757.db2.gz	CKTNKFBFDFFIGI-UHFFFAOYSA-N	0	0	169.227	3.186	10	0		AGAERN
Cc1c(F)cncc1-c1ccccc1	307061056	1169498894	/nfs/dbraw/zinc/49/88/94/1169498894.db2.gz	KJOCUPCJFRBDKU-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1cnc(F)cc1-c1ccccc1	307101638	1169504043	/nfs/dbraw/zinc/50/40/43/1169504043.db2.gz	ABBLHIQOQGGLJU-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1c(O)cccc1O[C@H](C)C(C)C	307364150	1169516167	/nfs/dbraw/zinc/51/61/67/1169516167.db2.gz	KLXFLQZVKQMPPM-SNVBAGLBSA-N	0	0	194.274	3.124	10	0		AGAERN
CC(C)=CCC1=CCCC1	307379295	1169517396	/nfs/dbraw/zinc/51/73/96/1169517396.db2.gz	XHCXFTCONKQQBS-UHFFFAOYSA-N	0	0	136.238	3.453	10	0		AGAERN
Cc1c(O)cccc1O[C@@H](C)C(C)C	307364149	1169517515	/nfs/dbraw/zinc/51/75/15/1169517515.db2.gz	KLXFLQZVKQMPPM-JTQLQIEISA-N	0	0	194.274	3.124	10	0		AGAERN
Clc1nccc(C2CC2)c1Cl	307399157	1169519709	/nfs/dbraw/zinc/51/97/09/1169519709.db2.gz	VOGMRKAJOUABRN-UHFFFAOYSA-N	0	0	188.057	3.266	10	0		AGAERN
Cc1nccc(-c2ccccc2)c1F	307433189	1169520406	/nfs/dbraw/zinc/52/04/06/1169520406.db2.gz	ZRHAASHIGCSLBP-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1cc(-c2ccccc2)c(F)cn1	307404367	1169520568	/nfs/dbraw/zinc/52/05/68/1169520568.db2.gz	BNEUNWPZOYPORD-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1ncc(C2CCCC2)s1	307493581	1169523550	/nfs/dbraw/zinc/52/35/50/1169523550.db2.gz	DZDDJSQRPKHCCR-UHFFFAOYSA-N	0	0	167.277	3.109	10	0		AGAERN
O=C(C=C1CCCC1)c1cccs1	307547656	1169525931	/nfs/dbraw/zinc/52/59/31/1169525931.db2.gz	UDTZDYZQWWGLSN-UHFFFAOYSA-N	0	0	192.283	3.431	10	0		AGAERN
Cc1cc2cc(C3CC3)ccc2[nH]1	307531202	1169526180	/nfs/dbraw/zinc/52/61/80/1169526180.db2.gz	TYGZTGOPTJHWAN-UHFFFAOYSA-N	0	0	171.243	3.354	10	0		AGAERN
Fc1nccc(-c2ccccc2)c1F	307609928	1169531469	/nfs/dbraw/zinc/53/14/69/1169531469.db2.gz	GBOCVKFFBFKGGV-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Cc1cccc(-c2ccsc2C)n1	307754103	1169544085	/nfs/dbraw/zinc/54/40/85/1169544085.db2.gz	YHAJYJBCPJYWQY-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
CCCCC[C@H](C)N(C)CC(F)F	308481029	1169550749	/nfs/dbraw/zinc/55/07/49/1169550749.db2.gz	NFXDUIMSGXYIFH-VIFPVBQESA-N	0	0	193.281	3.152	10	0		AGAERN
CCCCC[C@@H](C)N(C)CC(F)F	308481028	1169550787	/nfs/dbraw/zinc/55/07/87/1169550787.db2.gz	NFXDUIMSGXYIFH-SECBINFHSA-N	0	0	193.281	3.152	10	0		AGAERN
CC[C@H](C)[C@H](C)Oc1ccccc1N	319006822	1169555358	/nfs/dbraw/zinc/55/53/58/1169555358.db2.gz	OGRHWXNWBLODLO-UWVGGRQHSA-N	0	0	193.290	3.082	10	0		AGAERN
CC[C@@H](C)[C@H](C)Oc1ccc(F)nc1	320081097	1169555490	/nfs/dbraw/zinc/55/54/90/1169555490.db2.gz	OGBNSMFXHNRZBU-BDAKNGLRSA-N	0	0	197.253	3.034	10	0		AGAERN
CC[C@H](C)[C@@H](C)Oc1cccnc1F	320056039	1169555774	/nfs/dbraw/zinc/55/57/74/1169555774.db2.gz	LYTCHBSSDQUJLL-DTWKUNHWSA-N	0	0	197.253	3.034	10	0		AGAERN
CC[C@@H](C)[C@H](C)Oc1ccccc1N	319006824	1169555981	/nfs/dbraw/zinc/55/59/81/1169555981.db2.gz	OGRHWXNWBLODLO-ZJUUUORDSA-N	0	0	193.290	3.082	10	0		AGAERN
CC[C@H](C)[C@@H](C)Oc1ccc(F)nc1	320081100	1169556062	/nfs/dbraw/zinc/55/60/62/1169556062.db2.gz	OGBNSMFXHNRZBU-DTWKUNHWSA-N	0	0	197.253	3.034	10	0		AGAERN
CC[C@H](C)[C@H](C)Oc1ccc(F)nc1	320081103	1169556070	/nfs/dbraw/zinc/55/60/70/1169556070.db2.gz	OGBNSMFXHNRZBU-IUCAKERBSA-N	0	0	197.253	3.034	10	0		AGAERN
CC[C@@H](C)[C@H](C)Oc1ccccc1O	320265517	1169556095	/nfs/dbraw/zinc/55/60/95/1169556095.db2.gz	ZZZYSRYBHRTZDG-ZJUUUORDSA-N	0	0	194.274	3.206	10	0		AGAERN
CC[C@@H](C)[C@@H](C)Oc1cccnc1F	320056041	1169556193	/nfs/dbraw/zinc/55/61/93/1169556193.db2.gz	LYTCHBSSDQUJLL-RKDXNWHRSA-N	0	0	197.253	3.034	10	0		AGAERN
CC[C@@H](C)[C@@H](C)Oc1ccc(F)nc1	320081105	1169556241	/nfs/dbraw/zinc/55/62/41/1169556241.db2.gz	OGBNSMFXHNRZBU-RKDXNWHRSA-N	0	0	197.253	3.034	10	0		AGAERN
CC[C@H](C)[C@@H](C)Oc1ccc(O)cc1	320167949	1169556461	/nfs/dbraw/zinc/55/64/61/1169556461.db2.gz	LYYLUOFHXXOBJZ-VHSXEESVSA-N	0	0	194.274	3.206	10	0		AGAERN
CC[C@@H](C)[C@H](C)Oc1ccc(O)cc1	320167950	1169556471	/nfs/dbraw/zinc/55/64/71/1169556471.db2.gz	LYYLUOFHXXOBJZ-ZJUUUORDSA-N	0	0	194.274	3.206	10	0		AGAERN
CC[C@@H](C)[C@H](C)Oc1cccnc1F	320056038	1169556497	/nfs/dbraw/zinc/55/64/97/1169556497.db2.gz	LYTCHBSSDQUJLL-BDAKNGLRSA-N	0	0	197.253	3.034	10	0		AGAERN
CC[C@@H](C)[C@@H](C)Oc1ccc(O)cc1	320167946	1169556520	/nfs/dbraw/zinc/55/65/20/1169556520.db2.gz	LYYLUOFHXXOBJZ-NXEZZACHSA-N	0	0	194.274	3.206	10	0		AGAERN
CC[C@H](C)[C@@H](C)Oc1ccccc1N	319006823	1169556680	/nfs/dbraw/zinc/55/66/80/1169556680.db2.gz	OGRHWXNWBLODLO-VHSXEESVSA-N	0	0	193.290	3.082	10	0		AGAERN
CC[C@H](C)[C@@H](C)Oc1ccccc1O	320265516	1169556697	/nfs/dbraw/zinc/55/66/97/1169556697.db2.gz	ZZZYSRYBHRTZDG-VHSXEESVSA-N	0	0	194.274	3.206	10	0		AGAERN
CC[C@H](C)[C@H](C)Oc1ccccc1O	320265514	1169556816	/nfs/dbraw/zinc/55/68/16/1169556816.db2.gz	ZZZYSRYBHRTZDG-UWVGGRQHSA-N	0	0	194.274	3.206	10	0		AGAERN
CC[C@@H](C)[C@@H](C)Oc1ccccc1N	319006821	1169556921	/nfs/dbraw/zinc/55/69/21/1169556921.db2.gz	OGRHWXNWBLODLO-NXEZZACHSA-N	0	0	193.290	3.082	10	0		AGAERN
CC[C@H](C)[C@H](C)Oc1ccc(O)cc1	320167947	1169557077	/nfs/dbraw/zinc/55/70/77/1169557077.db2.gz	LYYLUOFHXXOBJZ-UWVGGRQHSA-N	0	0	194.274	3.206	10	0		AGAERN
CC[C@@H](C)[C@@H](C)Oc1ccccc1O	320265513	1169557216	/nfs/dbraw/zinc/55/72/16/1169557216.db2.gz	ZZZYSRYBHRTZDG-NXEZZACHSA-N	0	0	194.274	3.206	10	0		AGAERN
CC[C@H](C)[C@H](C)Oc1cccnc1F	320056040	1169557327	/nfs/dbraw/zinc/55/73/27/1169557327.db2.gz	LYTCHBSSDQUJLL-IUCAKERBSA-N	0	0	197.253	3.034	10	0		AGAERN
Cc1cccc(C)c1Cc1ccncc1	378854069	1169563748	/nfs/dbraw/zinc/56/37/48/1169563748.db2.gz	ILRXJLSZDVYPHK-UHFFFAOYSA-N	0	0	197.281	3.289	10	0		AGAERN
CCCC[C@H](C)N(C)CC(F)(F)F	379353988	1169572526	/nfs/dbraw/zinc/57/25/26/1169572526.db2.gz	HBXMVEFRSJMERC-QMMMGPOBSA-N	0	0	197.244	3.059	10	0		AGAERN
CCCC[C@@H](C)N(C)CC(F)(F)F	379353987	1169572870	/nfs/dbraw/zinc/57/28/70/1169572870.db2.gz	HBXMVEFRSJMERC-MRVPVSSYSA-N	0	0	197.244	3.059	10	0		AGAERN
CCCN(CC(F)(F)F)[C@H](C)CC	379389910	1169580378	/nfs/dbraw/zinc/58/03/78/1169580378.db2.gz	MPOBZXRQWMABLQ-MRVPVSSYSA-N	0	0	197.244	3.059	10	0		AGAERN
CCCN(CC(F)(F)F)[C@@H](C)CC	379389911	1169580365	/nfs/dbraw/zinc/58/03/65/1169580365.db2.gz	MPOBZXRQWMABLQ-QMMMGPOBSA-N	0	0	197.244	3.059	10	0		AGAERN
CCCC(CCC)c1nnc(C)o1	379410099	1169583186	/nfs/dbraw/zinc/58/31/86/1169583186.db2.gz	FLCIUSVLKRCMRD-UHFFFAOYSA-N	0	0	182.267	3.062	10	0		AGAERN
Cc1ccc(-c2cc(C)ccc2O)nc1	380106538	1169595643	/nfs/dbraw/zinc/59/56/43/1169595643.db2.gz	QWIRQTLNBAGGRS-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1ccncc1-c1cc(O)ccc1C	383472675	1169604164	/nfs/dbraw/zinc/60/41/64/1169604164.db2.gz	MNSPXIGXKSYKJE-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
CCC(=O)C/C=C/c1ccc(C)cc1	383550749	1169605355	/nfs/dbraw/zinc/60/53/55/1169605355.db2.gz	SHKJUYIIRWFVHL-SNAWJCMRSA-N	0	0	188.270	3.377	10	0		AGAERN
Cc1cncc(-c2cc(O)ccc2C)c1	383433390	1169605568	/nfs/dbraw/zinc/60/55/68/1169605568.db2.gz	CWUIMJMOFXNESA-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1ccc(-c2cc(O)ccc2C)cn1	383477309	1169605892	/nfs/dbraw/zinc/60/58/92/1169605892.db2.gz	NKHILKJIIVMIET-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1cc(-c2cc(O)ccc2C)ccn1	383452581	1169606438	/nfs/dbraw/zinc/60/64/38/1169606438.db2.gz	HXCNBJCBQKSHEO-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1cnccc1-c1cc(O)ccc1C	383464144	1169606535	/nfs/dbraw/zinc/60/65/35/1169606535.db2.gz	KJXMPPVWRPVUJA-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
CC=C(C)Nc1ccc(C)cc1	387604922	1169616010	/nfs/dbraw/zinc/61/60/10/1169616010.db2.gz	WSNFZHUBJKOILW-ONNFQVAWSA-N	0	0	161.248	3.331	10	0		AGAERN
CCC[C@H](C)N(CC)CC(F)(F)F	388294119	1169623672	/nfs/dbraw/zinc/62/36/72/1169623672.db2.gz	YQTUVUVVBYMNGL-QMMMGPOBSA-N	0	0	197.244	3.059	10	0		AGAERN
CCC[C@@H](C)N(CC)CC(F)(F)F	388294118	1169623828	/nfs/dbraw/zinc/62/38/28/1169623828.db2.gz	YQTUVUVVBYMNGL-MRVPVSSYSA-N	0	0	197.244	3.059	10	0		AGAERN
CC(C)CC[C@@H](C)N(C)CC(F)F	388624147	1169629704	/nfs/dbraw/zinc/62/97/04/1169629704.db2.gz	GLDISGDQGNXXCX-SECBINFHSA-N	0	0	193.281	3.008	10	0		AGAERN
CC(C)CC[C@H](C)N(C)CC(F)F	388624148	1169629861	/nfs/dbraw/zinc/62/98/61/1169629861.db2.gz	GLDISGDQGNXXCX-VIFPVBQESA-N	0	0	193.281	3.008	10	0		AGAERN
CC(C)C[C@@H](C)Oc1ccccc1O	388673716	1169631903	/nfs/dbraw/zinc/63/19/03/1169631903.db2.gz	HLEGGWOOMWKPKE-SNVBAGLBSA-N	0	0	194.274	3.206	10	0		AGAERN
CCc1cncc(Oc2ccccc2)c1	389716881	1169639471	/nfs/dbraw/zinc/63/94/71/1169639471.db2.gz	OEGSDVJJGOTUTF-UHFFFAOYSA-N	0	0	199.253	3.436	10	0		AGAERN
COc1cnccc1-c1ccc(C)cc1	389710554	1169639702	/nfs/dbraw/zinc/63/97/02/1169639702.db2.gz	MGFJRBLTGHPRMW-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
COc1ccc(-c2ccccc2)nc1C	396103954	1169656125	/nfs/dbraw/zinc/65/61/25/1169656125.db2.gz	ZAQDFSDUTAQVTL-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
Cc1ccc(C)c(Nc2ccccn2)c1	396147379	1169655170	/nfs/dbraw/zinc/65/51/70/1169655170.db2.gz	LGGVSTDNHZGOAM-UHFFFAOYSA-N	0	0	198.269	3.442	10	0		AGAERN
CCc1ccccc1Nc1cccnc1	396148207	1169655257	/nfs/dbraw/zinc/65/52/57/1169655257.db2.gz	MRQSJEKUULFSMG-UHFFFAOYSA-N	0	0	198.269	3.388	10	0		AGAERN
COc1cncc(-c2ccccc2)c1C	396102709	1169655286	/nfs/dbraw/zinc/65/52/86/1169655286.db2.gz	XBXOBUBWNNRIGG-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
c1cc(-c2ccncc2)c2ccoc2c1	396140450	1169655427	/nfs/dbraw/zinc/65/54/27/1169655427.db2.gz	YPRPOBFDCWFGFD-UHFFFAOYSA-N	0	0	195.221	3.495	10	0		AGAERN
COc1ccc(C)nc1-c1ccccc1	396094413	1169655489	/nfs/dbraw/zinc/65/54/89/1169655489.db2.gz	IVVAQBLZSLNABP-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
COc1cc(-c2ccccc2)cnc1C	396093980	1169655500	/nfs/dbraw/zinc/65/55/00/1169655500.db2.gz	IPHZUIHKPMKICA-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
COc1cnc(-c2ccccc2)c(C)c1	396103860	1169655657	/nfs/dbraw/zinc/65/56/57/1169655657.db2.gz	YRRZNFYZVJCAFH-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
CCOc1ccnc(-c2ccccc2)c1	396122645	1169655768	/nfs/dbraw/zinc/65/57/68/1169655768.db2.gz	XFXXQIFJRSZTME-UHFFFAOYSA-N	0	0	199.253	3.147	10	0		AGAERN
COc1cc(C)cc(-c2ccccc2)n1	396095076	1169656316	/nfs/dbraw/zinc/65/63/16/1169656316.db2.gz	KBUMNCDQLAHXER-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
COc1cnc(-c2ccccc2)cc1C	396098468	1169656882	/nfs/dbraw/zinc/65/68/82/1169656882.db2.gz	QHTNDASVCNZSJU-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
COc1cnc(C)c(-c2ccccc2)c1	396102737	1169657055	/nfs/dbraw/zinc/65/70/55/1169657055.db2.gz	XEVDPRCECUFFJA-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
Cc1ccc(C)c(Nc2cccnc2)c1	396154128	1169657342	/nfs/dbraw/zinc/65/73/42/1169657342.db2.gz	TWJCYAUDRLRMTE-UHFFFAOYSA-N	0	0	198.269	3.442	10	0		AGAERN
Cc1cc(C)cc(Nc2cccnc2)c1	396151163	1169657362	/nfs/dbraw/zinc/65/73/62/1169657362.db2.gz	QGWRUFMLZDZILI-UHFFFAOYSA-N	0	0	198.269	3.442	10	0		AGAERN
CCc1cc(C)cc(CC)c1NC#N	606261300	1169692058	/nfs/dbraw/zinc/69/20/58/1169692058.db2.gz	BHKNRPOCNVQQAT-UHFFFAOYSA-N	0	0	188.274	3.013	10	0		AGAERN
Cc1ccc(C)c(NCC(C)(F)F)c1	606273881	1169695274	/nfs/dbraw/zinc/69/52/74/1169695274.db2.gz	HEDZXHBOMBUDES-UHFFFAOYSA-N	0	0	199.244	3.371	10	0		AGAERN
Cc1cccc(C)c1NCC(C)(F)F	606273972	1169695279	/nfs/dbraw/zinc/69/52/79/1169695279.db2.gz	KQALTQGBFLXLLL-UHFFFAOYSA-N	0	0	199.244	3.371	10	0		AGAERN
CCCCC1=CCC2(CC1)OCCO2	700750721	1169701901	/nfs/dbraw/zinc/70/19/01/1169701901.db2.gz	ABQZUDLLONLNRH-UHFFFAOYSA-N	0	0	196.290	3.030	10	0		AGAERN
C[C@H]1CCCC[C@@H]1Oc1cccnc1	705007699	1169709178	/nfs/dbraw/zinc/70/91/78/1169709178.db2.gz	YHZPJOUCPPYFJQ-JQWIXIFHSA-N	0	0	191.274	3.039	10	0		AGAERN
C[C@@H]1CCCC[C@H]1Oc1cccnc1	705007701	1169707389	/nfs/dbraw/zinc/70/73/89/1169707389.db2.gz	YHZPJOUCPPYFJQ-ZYHUDNBSSA-N	0	0	191.274	3.039	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1Oc1cccnc1	705007700	1169708950	/nfs/dbraw/zinc/70/89/50/1169708950.db2.gz	YHZPJOUCPPYFJQ-PWSUYJOCSA-N	0	0	191.274	3.039	10	0		AGAERN
C[C@H]1CCCC[C@H]1Oc1cccnc1	705007698	1169709234	/nfs/dbraw/zinc/70/92/34/1169709234.db2.gz	YHZPJOUCPPYFJQ-CMPLNLGQSA-N	0	0	191.274	3.039	10	0		AGAERN
c1cc(-c2ccoc2)c2[nH]ccc2c1	705916439	1169711947	/nfs/dbraw/zinc/71/19/47/1169711947.db2.gz	XGJRHDHVTXSUDL-UHFFFAOYSA-N	0	0	183.210	3.428	10	0		AGAERN
c1cc(-c2ccoc2)c2cc[nH]c2c1	705949761	1169711957	/nfs/dbraw/zinc/71/19/57/1169711957.db2.gz	QBMZRJNKGTVOOS-UHFFFAOYSA-N	0	0	183.210	3.428	10	0		AGAERN
CNc1cccc(-c2ccc(C)cn2)c1	707887761	1169717572	/nfs/dbraw/zinc/71/75/72/1169717572.db2.gz	QPYXBVQNCLCAQL-UHFFFAOYSA-N	0	0	198.269	3.099	10	0		AGAERN
COc1cc(Cl)ccc1CC1CC1	709924073	1169726943	/nfs/dbraw/zinc/72/69/43/1169726943.db2.gz	VGQSCCYTQWWVFR-UHFFFAOYSA-N	0	0	196.677	3.301	10	0		AGAERN
CCc1cc(C)ccc1OC(C)C	709877176	1169727080	/nfs/dbraw/zinc/72/70/80/1169727080.db2.gz	HGMATAGUNLLDBV-UHFFFAOYSA-N	0	0	178.275	3.345	10	0		AGAERN
Fc1ccc(Cl)c(CC2CC2)c1	709863779	1169727287	/nfs/dbraw/zinc/72/72/87/1169727287.db2.gz	CSFGCTHAUDZKGE-UHFFFAOYSA-N	0	0	184.641	3.432	10	0		AGAERN
Fc1cccc(CC2CC2)c1Cl	709879647	1169727602	/nfs/dbraw/zinc/72/76/02/1169727602.db2.gz	WHAPZTIFYVTBAE-UHFFFAOYSA-N	0	0	184.641	3.432	10	0		AGAERN
CCc1cc(OC)ccc1C(C)C	709878962	1169727696	/nfs/dbraw/zinc/72/76/96/1169727696.db2.gz	USEXDONRVUJADR-UHFFFAOYSA-N	0	0	178.275	3.381	10	0		AGAERN
CCCCNc1ncc(Cl)cc1C	710039328	1169727886	/nfs/dbraw/zinc/72/78/86/1169727886.db2.gz	HQNMDBJEALGAOI-UHFFFAOYSA-N	0	0	198.697	3.255	10	0		AGAERN
Cc1ccc(CC2CC2)cc1F	709880113	1169727977	/nfs/dbraw/zinc/72/79/77/1169727977.db2.gz	ZLXBPRPRTSWXNT-UHFFFAOYSA-N	0	0	164.223	3.087	10	0		AGAERN
Cc1ccc(CC2CC2)c(F)c1	709878415	1169727993	/nfs/dbraw/zinc/72/79/93/1169727993.db2.gz	RXARLNMEJCGEGX-UHFFFAOYSA-N	0	0	164.223	3.087	10	0		AGAERN
CC[C@@H](C)c1ccc(C)c(CO)c1	712385035	1169729083	/nfs/dbraw/zinc/72/90/83/1169729083.db2.gz	JJPKBIYRHLTIJM-SECBINFHSA-N	0	0	178.275	3.001	10	0		AGAERN
CC[C@H](C)c1ccc(C)c(CO)c1	712385040	1169729896	/nfs/dbraw/zinc/72/98/96/1169729896.db2.gz	JJPKBIYRHLTIJM-VIFPVBQESA-N	0	0	178.275	3.001	10	0		AGAERN
C1=C(c2cccc3c2NCC3)CCC1	712164744	1169730892	/nfs/dbraw/zinc/73/08/92/1169730892.db2.gz	WPCUBCXIUBNLFX-UHFFFAOYSA-N	0	0	185.270	3.222	10	0		AGAERN
CNc1cccc(-c2cccnc2C)c1	715182573	1169736633	/nfs/dbraw/zinc/73/66/33/1169736633.db2.gz	WBGGCPKQRGIDAQ-UHFFFAOYSA-N	0	0	198.269	3.099	10	0		AGAERN
Cc1cc(-c2cccnc2C)ccc1O	715240100	1169736716	/nfs/dbraw/zinc/73/67/16/1169736716.db2.gz	MUAJUDKMQIISPU-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1ccc(O)c(-c2cccnc2C)c1	715239508	1169737831	/nfs/dbraw/zinc/73/78/31/1169737831.db2.gz	MBLBMHJUNANPCW-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1ccc(O)cc1-c1cccnc1C	715242261	1169740034	/nfs/dbraw/zinc/74/00/34/1169740034.db2.gz	VEGSUHHYNQTFHX-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1cc(O)ccc1-c1cccnc1C	715242216	1169740831	/nfs/dbraw/zinc/74/08/31/1169740831.db2.gz	UWFBFTUDISFROQ-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1ccc(-c2cccnc2C)c(O)c1	715242880	1169741162	/nfs/dbraw/zinc/74/11/62/1169741162.db2.gz	YFGPNPBQKSHWGF-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1cccc(C)c1-c1cncc(O)c1	717747614	1169747619	/nfs/dbraw/zinc/74/76/19/1169747619.db2.gz	ZKDFNFSQUPAQSL-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
CC(=O)[C@H](C)OC1CCCCCCC1	721143776	1169756480	/nfs/dbraw/zinc/75/64/80/1169756480.db2.gz	MCIMJGLKZMDSDT-NSHDSACASA-N	0	0	198.306	3.093	10	0		AGAERN
CC(=O)[C@@H](C)OC1CCCCCCC1	721143775	1169757618	/nfs/dbraw/zinc/75/76/18/1169757618.db2.gz	MCIMJGLKZMDSDT-LLVKDONJSA-N	0	0	198.306	3.093	10	0		AGAERN
CCC(=O)COC1CCCCCCC1	721143406	1169758143	/nfs/dbraw/zinc/75/81/43/1169758143.db2.gz	GSIQIMSOOMFZAG-UHFFFAOYSA-N	0	0	198.306	3.095	10	0		AGAERN
CCC(CC)Oc1ccnc(Cl)c1	721507736	1169761802	/nfs/dbraw/zinc/76/18/02/1169761802.db2.gz	FTPGTXQZTYJCRM-UHFFFAOYSA-N	0	0	199.681	3.302	10	0		AGAERN
CCC(CC)Oc1cccc(Cl)n1	721507251	1169762617	/nfs/dbraw/zinc/76/26/17/1169762617.db2.gz	DBUYXIJPCANTMU-UHFFFAOYSA-N	0	0	199.681	3.302	10	0		AGAERN
CCCc1cc(Cl)c(O)cc1F	722342007	1169765126	/nfs/dbraw/zinc/76/51/26/1169765126.db2.gz	SGZZRPDRONKADW-UHFFFAOYSA-N	0	0	188.629	3.137	10	0		AGAERN
COc1ccc(Cl)cc1CC1CC1	725397633	1169771507	/nfs/dbraw/zinc/77/15/07/1169771507.db2.gz	BDMQGUWEWQUYED-UHFFFAOYSA-N	0	0	196.677	3.301	10	0		AGAERN
Cc1cc(CC2CC2)ccc1N(C)C	725405036	1169773436	/nfs/dbraw/zinc/77/34/36/1169773436.db2.gz	IJNPMMSYDZAKDT-UHFFFAOYSA-N	0	0	189.302	3.014	10	0		AGAERN
CCC[C@](C)(CC)c1nnc(CC)o1	1118423114	1169784891	/nfs/dbraw/zinc/78/48/91/1169784891.db2.gz	DITJPQVFGMRLKZ-NSHDSACASA-N	0	0	196.294	3.100	10	0		AGAERN
CCC[C@@](C)(CC)c1nnc(CC)o1	1118423113	1169784922	/nfs/dbraw/zinc/78/49/22/1169784922.db2.gz	DITJPQVFGMRLKZ-LLVKDONJSA-N	0	0	196.294	3.100	10	0		AGAERN
Clc1cccc(O[C@@H]2C=CCC2)c1	1225230930	1169829322	/nfs/dbraw/zinc/82/93/22/1169829322.db2.gz	FYRCMHKVVVUSMP-SNVBAGLBSA-N	0	0	194.661	3.437	10	0		AGAERN
Clc1cccc(O[C@H]2C=CCC2)c1	1225230928	1169829342	/nfs/dbraw/zinc/82/93/42/1169829342.db2.gz	FYRCMHKVVVUSMP-JTQLQIEISA-N	0	0	194.661	3.437	10	0		AGAERN
Cc1ccc(O[C@H]2C=CCC2)cc1	1225260123	1169829976	/nfs/dbraw/zinc/82/99/76/1169829976.db2.gz	JDAGRMRGCBASGC-NSHDSACASA-N	0	0	174.243	3.092	10	0		AGAERN
Cc1ccc(O[C@@H]2C=CCC2)cc1	1225260116	1169830139	/nfs/dbraw/zinc/83/01/39/1169830139.db2.gz	JDAGRMRGCBASGC-LLVKDONJSA-N	0	0	174.243	3.092	10	0		AGAERN
CCCC[C@@H](CC)c1nnc(CC)o1	1255056378	1169901489	/nfs/dbraw/zinc/90/14/89/1169901489.db2.gz	ATYXQXKBAZPDCL-SECBINFHSA-N	0	0	196.294	3.316	10	0		AGAERN
CCCC[C@H](CC)c1nnc(CC)o1	1255056382	1169901916	/nfs/dbraw/zinc/90/19/16/1169901916.db2.gz	ATYXQXKBAZPDCL-VIFPVBQESA-N	0	0	196.294	3.316	10	0		AGAERN
CCCCCCc1nnc(C(C)C)o1	1256312915	1169966491	/nfs/dbraw/zinc/96/64/91/1169966491.db2.gz	DNOLMCNKSHMMSC-UHFFFAOYSA-N	0	0	196.294	3.316	10	0		AGAERN
CC/C=C(\C)c1nnc(CC(C)C)o1	1256399935	1169970049	/nfs/dbraw/zinc/97/00/49/1169970049.db2.gz	AVQKVTSVCMICOO-RMKNXTFCSA-N	0	0	194.278	3.081	10	0		AGAERN
CCC[C@@H](CC)N(C)CC(F)(F)F	1257256479	1169982355	/nfs/dbraw/zinc/98/23/55/1169982355.db2.gz	HWHGRCCETICDTC-MRVPVSSYSA-N	0	0	197.244	3.059	10	0		AGAERN
CCC[C@H](CC)N(C)CC(F)(F)F	1257256483	1169982619	/nfs/dbraw/zinc/98/26/19/1169982619.db2.gz	HWHGRCCETICDTC-QMMMGPOBSA-N	0	0	197.244	3.059	10	0		AGAERN
Cc1cccc2cc(Cl)ncc12	143561625	566266812	/nfs/dbraw/zinc/26/68/12/566266812.db2.gz	GAANULQDXTYTRN-UHFFFAOYSA-N	0	0	177.634	3.197	10	0		AGAERN
CCNc1cc(CC)ccc1CC	143685662	566267773	/nfs/dbraw/zinc/26/77/73/566267773.db2.gz	FHYMHEPSFREVSM-UHFFFAOYSA-N	0	0	177.291	3.243	10	0		AGAERN
CC[C@@H](C)c1csc([C@@H](C)OC)n1	157910599	566268506	/nfs/dbraw/zinc/26/85/06/566268506.db2.gz	ZFOLOLKKGBSABB-HTQZYQBOSA-N	0	0	199.319	3.364	10	0		AGAERN
CC[C@H](C)c1csc([C@@H](C)OC)n1	157910735	566268834	/nfs/dbraw/zinc/26/88/34/566268834.db2.gz	ZFOLOLKKGBSABB-JGVFFNPUSA-N	0	0	199.319	3.364	10	0		AGAERN
CC[C@H](C)c1csc([C@H](C)OC)n1	157911039	566269698	/nfs/dbraw/zinc/26/96/98/566269698.db2.gz	ZFOLOLKKGBSABB-YUMQZZPRSA-N	0	0	199.319	3.364	10	0		AGAERN
CC[C@@H](C)c1csc([C@H](C)OC)n1	157910896	566270341	/nfs/dbraw/zinc/27/03/41/566270341.db2.gz	ZFOLOLKKGBSABB-SFYZADRCSA-N	0	0	199.319	3.364	10	0		AGAERN
CCC[C@H](C)Sc1ccccn1	197471422	566276206	/nfs/dbraw/zinc/27/62/06/566276206.db2.gz	GIMHOSOOVJYRKO-VIFPVBQESA-N	0	0	181.304	3.362	10	0		AGAERN
CCC[C@@H](C)Sc1ccccn1	197471411	566275803	/nfs/dbraw/zinc/27/58/03/566275803.db2.gz	GIMHOSOOVJYRKO-SECBINFHSA-N	0	0	181.304	3.362	10	0		AGAERN
Cc1cccc2cnc(Cl)cc12	197837367	566276667	/nfs/dbraw/zinc/27/66/67/566276667.db2.gz	IFAZSRGMSSPFTD-UHFFFAOYSA-N	0	0	177.634	3.197	10	0		AGAERN
COc1ccc2c(c1)N[C@@H](C)C[C@H]2C	257856887	566289495	/nfs/dbraw/zinc/28/94/95/566289495.db2.gz	QDFXRACVTFEVFF-BDAKNGLRSA-N	0	0	191.274	3.003	10	0		AGAERN
COc1ccc2c(c1)N[C@@H](C)C[C@@H]2C	257856890	566289753	/nfs/dbraw/zinc/28/97/53/566289753.db2.gz	QDFXRACVTFEVFF-IUCAKERBSA-N	0	0	191.274	3.003	10	0		AGAERN
COc1ccc2c(c1)N[C@H](C)C[C@H]2C	257856892	566289780	/nfs/dbraw/zinc/28/97/80/566289780.db2.gz	QDFXRACVTFEVFF-RKDXNWHRSA-N	0	0	191.274	3.003	10	0		AGAERN
COc1ccc2c(c1)N[C@H](C)C[C@@H]2C	257856889	566289971	/nfs/dbraw/zinc/28/99/71/566289971.db2.gz	QDFXRACVTFEVFF-DTWKUNHWSA-N	0	0	191.274	3.003	10	0		AGAERN
CC[C@H](C)c1nnc(CCC(C)C)o1	1258256075	1170060730	/nfs/dbraw/zinc/06/07/30/1170060730.db2.gz	BSKGRXDANKQJQI-VIFPVBQESA-N	0	0	196.294	3.172	10	0		AGAERN
CC[C@@H](C)c1nnc(CCC(C)C)o1	1258256074	1170062294	/nfs/dbraw/zinc/06/22/94/1170062294.db2.gz	BSKGRXDANKQJQI-SECBINFHSA-N	0	0	196.294	3.172	10	0		AGAERN
Cc1nnc(C2CCCCCCC2)o1	1261426133	1170114963	/nfs/dbraw/zinc/11/49/63/1170114963.db2.gz	BWMRIINGRNQRKD-UHFFFAOYSA-N	0	0	194.278	3.206	10	0		AGAERN
CCCCC(=O)NCC[C@H](C)CCC	1288392320	1170169222	/nfs/dbraw/zinc/16/92/22/1170169222.db2.gz	QIOCLVQKZFIQKA-LLVKDONJSA-N	0	0	199.338	3.119	10	0		AGAERN
CCCCC(=O)NCC[C@@H](C)CCC	1288392321	1170170058	/nfs/dbraw/zinc/17/00/58/1170170058.db2.gz	QIOCLVQKZFIQKA-NSHDSACASA-N	0	0	199.338	3.119	10	0		AGAERN
C1=C[C@@H]2C[C@H]1C[C@H]2CSCC1CC1	1307351435	1170180958	/nfs/dbraw/zinc/18/09/58/1170180958.db2.gz	UFNJVPXRNXVCHF-TUAOUCFPSA-N	0	0	194.343	3.342	10	0		AGAERN
C1=C[C@@H]2C[C@H]1C[C@@H]2CSCC1CC1	1307351433	1170181181	/nfs/dbraw/zinc/18/11/81/1170181181.db2.gz	UFNJVPXRNXVCHF-QJPTWQEYSA-N	0	0	194.343	3.342	10	0		AGAERN
Cc1cc(CSCC2CC2)sn1	1307351555	1170181186	/nfs/dbraw/zinc/18/11/86/1170181186.db2.gz	UTDAURJZKULIFI-UHFFFAOYSA-N	0	0	199.344	3.095	10	0		AGAERN
CCCN1CCc2cc(C)c(C)cc21	1307756799	1170183415	/nfs/dbraw/zinc/18/34/15/1170183415.db2.gz	PWVJTDYTCHBARM-UHFFFAOYSA-N	0	0	189.302	3.076	10	0		AGAERN
CCON(CC)CC1CCCCCC1	1308012728	1170186892	/nfs/dbraw/zinc/18/68/92/1170186892.db2.gz	RPUDMKCKJJODLV-UHFFFAOYSA-N	0	0	199.338	3.230	10	0		AGAERN
Cc1cc(NCCC(C)C)cnc1C	1308918443	1170193306	/nfs/dbraw/zinc/19/33/06/1170193306.db2.gz	LXOOAOFNIORPHG-UHFFFAOYSA-N	0	0	192.306	3.156	10	0		AGAERN
CC/C=C(/C)c1nnc([C@H](C)CC)o1	1322254249	1170216851	/nfs/dbraw/zinc/21/68/51/1170216851.db2.gz	BHCPCGALFYUOKP-XZZQCUQZSA-N	0	0	194.278	3.396	10	0		AGAERN
CC/C=C(\C)c1nnc([C@@H](C)CC)o1	1322254247	1170215549	/nfs/dbraw/zinc/21/55/49/1170215549.db2.gz	BHCPCGALFYUOKP-INTFFVIUSA-N	0	0	194.278	3.396	10	0		AGAERN
CC[C@@H](C)c1nnc(C(C)(C)CC)o1	1322254929	1170215669	/nfs/dbraw/zinc/21/56/69/1170215669.db2.gz	FBPNLEUVZXNEOO-MRVPVSSYSA-N	0	0	196.294	3.271	10	0		AGAERN
CC[C@H](C)c1nnc(C(C)(C)CC)o1	1322254931	1170216958	/nfs/dbraw/zinc/21/69/58/1170216958.db2.gz	FBPNLEUVZXNEOO-QMMMGPOBSA-N	0	0	196.294	3.271	10	0		AGAERN
CC[C@H](C)c1nnc(C2CC=CC2)o1	1322497954	1170217038	/nfs/dbraw/zinc/21/70/38/1170217038.db2.gz	HZKALHHAOKWWNM-QMMMGPOBSA-N	0	0	192.262	3.017	10	0		AGAERN
CC/C=C(\C)c1nnc([C@H](C)CC)o1	1322254248	1170217141	/nfs/dbraw/zinc/21/71/41/1170217141.db2.gz	BHCPCGALFYUOKP-KGOFQHAKSA-N	0	0	194.278	3.396	10	0		AGAERN
CCCCCC[C@H](C)c1nnc(C)o1	1322108968	1170217491	/nfs/dbraw/zinc/21/74/91/1170217491.db2.gz	BVHHEPRDZCMNCF-VIFPVBQESA-N	0	0	196.294	3.452	10	0		AGAERN
CC[C@@H](C)c1nnc(C2CC=CC2)o1	1322497953	1170217799	/nfs/dbraw/zinc/21/77/99/1170217799.db2.gz	HZKALHHAOKWWNM-MRVPVSSYSA-N	0	0	192.262	3.017	10	0		AGAERN
CCCCCC[C@@H](C)c1nnc(C)o1	1322108965	1170217832	/nfs/dbraw/zinc/21/78/32/1170217832.db2.gz	BVHHEPRDZCMNCF-SECBINFHSA-N	0	0	196.294	3.452	10	0		AGAERN
CC/C=C(/C)c1nnc([C@@H](C)CC)o1	1322254246	1170217919	/nfs/dbraw/zinc/21/79/19/1170217919.db2.gz	BHCPCGALFYUOKP-FZGDARCMSA-N	0	0	194.278	3.396	10	0		AGAERN
CC[C@H](C)c1nnc(C2(C)CCC2)o1	1322887991	1170218719	/nfs/dbraw/zinc/21/87/19/1170218719.db2.gz	DHFNRXUVOOFRJU-QMMMGPOBSA-N	0	0	194.278	3.025	10	0		AGAERN
CC[C@@H](C)c1nnc(C2(C)CCC2)o1	1322887989	1170219337	/nfs/dbraw/zinc/21/93/37/1170219337.db2.gz	DHFNRXUVOOFRJU-MRVPVSSYSA-N	0	0	194.278	3.025	10	0		AGAERN
CC[C@@H](C)CCc1nnc(C(C)C)o1	1326968973	1170243877	/nfs/dbraw/zinc/24/38/77/1170243877.db2.gz	AQOUUHFWTGBSSA-SECBINFHSA-N	0	0	196.294	3.172	10	0		AGAERN
CC[C@H](C)CCc1nnc(C(C)C)o1	1326968975	1170244747	/nfs/dbraw/zinc/24/47/47/1170244747.db2.gz	AQOUUHFWTGBSSA-VIFPVBQESA-N	0	0	196.294	3.172	10	0		AGAERN
CC/C(C)=C(/C)c1nnc(C2CC2)o1	1327267311	1170247279	/nfs/dbraw/zinc/24/72/79/1170247279.db2.gz	HVUGRWKAZZWVHB-FPLPWBNLSA-N	0	0	192.262	3.150	10	0		AGAERN
CC/C(C)=C(\C)c1nnc(C2CC2)o1	1327267308	1170248528	/nfs/dbraw/zinc/24/85/28/1170248528.db2.gz	HVUGRWKAZZWVHB-BQYQJAHWSA-N	0	0	192.262	3.150	10	0		AGAERN
CC(C)CCCc1nnc(C(C)C)o1	1327837532	1170254348	/nfs/dbraw/zinc/25/43/48/1170254348.db2.gz	PEBBDPDSXIRCHW-UHFFFAOYSA-N	0	0	196.294	3.172	10	0		AGAERN
C/C=C(/C=C\c1nnc(CC)o1)CC	1327872167	1170255465	/nfs/dbraw/zinc/25/54/65/1170255465.db2.gz	HRWIISAQVOKCKL-TZRLODCYSA-N	0	0	192.262	3.002	10	0		AGAERN
C/C=C(/C=C/c1nnc(CC)o1)CC	1327872169	1170255627	/nfs/dbraw/zinc/25/56/27/1170255627.db2.gz	HRWIISAQVOKCKL-UQZXCRFKSA-N	0	0	192.262	3.002	10	0		AGAERN
CC(C)C[C@@H](C)c1nnc(C2CC2)o1	1327917544	1170257452	/nfs/dbraw/zinc/25/74/52/1170257452.db2.gz	MVVJEBQIZHYALQ-MRVPVSSYSA-N	0	0	194.278	3.097	10	0		AGAERN
CC(C)C[C@H](C)c1nnc(C2CC2)o1	1327917545	1170257584	/nfs/dbraw/zinc/25/75/84/1170257584.db2.gz	MVVJEBQIZHYALQ-QMMMGPOBSA-N	0	0	194.278	3.097	10	0		AGAERN
CC[C@@H](C)CS[C@@H]1CCSC1	1330272295	1170279357	/nfs/dbraw/zinc/27/93/57/1170279357.db2.gz	BVAGNQVDEBWEEW-RKDXNWHRSA-N	0	0	190.377	3.271	10	0		AGAERN
CC[C@H](C)CS[C@@H]1CCSC1	1330272293	1170279690	/nfs/dbraw/zinc/27/96/90/1170279690.db2.gz	BVAGNQVDEBWEEW-DTWKUNHWSA-N	0	0	190.377	3.271	10	0		AGAERN
CC[C@H](C)CS[C@H]1CCSC1	1330272294	1170279975	/nfs/dbraw/zinc/27/99/75/1170279975.db2.gz	BVAGNQVDEBWEEW-IUCAKERBSA-N	0	0	190.377	3.271	10	0		AGAERN
CC[C@@H](C)CS[C@H]1CCSC1	1330272292	1170280901	/nfs/dbraw/zinc/28/09/01/1170280901.db2.gz	BVAGNQVDEBWEEW-BDAKNGLRSA-N	0	0	190.377	3.271	10	0		AGAERN
CC(C)(C)/C=C/c1nnc(C2CC2)o1	1341230836	1170433892	/nfs/dbraw/zinc/43/38/92/1170433892.db2.gz	ZFWOEYNVGVFUFX-VOTSOKGWSA-N	0	0	192.262	3.006	10	0		AGAERN
CC(C)(C)/C=C\c1nnc(C2CC2)o1	1341230834	1170432726	/nfs/dbraw/zinc/43/27/26/1170432726.db2.gz	ZFWOEYNVGVFUFX-SREVYHEPSA-N	0	0	192.262	3.006	10	0		AGAERN
CC[C@@H](C)c1nnc([C@@H](C)C2CC2)o1	1341519647	1170436727	/nfs/dbraw/zinc/43/67/27/1170436727.db2.gz	GGKARNBPOPKWRG-SFYZADRCSA-N	0	0	194.278	3.097	10	0		AGAERN
CC[C@H](C)c1nnc([C@@H]2CC2(C)C)o1	1341539858	1170437125	/nfs/dbraw/zinc/43/71/25/1170437125.db2.gz	ZJWBXLNWKKFTRV-YUMQZZPRSA-N	0	0	194.278	3.097	10	0		AGAERN
CC[C@H](C)c1nnc([C@H](C)C2CC2)o1	1341519646	1170437729	/nfs/dbraw/zinc/43/77/29/1170437729.db2.gz	GGKARNBPOPKWRG-JGVFFNPUSA-N	0	0	194.278	3.097	10	0		AGAERN
CC[C@@H](C)c1nnc([C@H](C)C2CC2)o1	1341519645	1170437896	/nfs/dbraw/zinc/43/78/96/1170437896.db2.gz	GGKARNBPOPKWRG-HTQZYQBOSA-N	0	0	194.278	3.097	10	0		AGAERN
CC[C@@H](C)c1nnc([C@@H]2CC2(C)C)o1	1341539856	1170438482	/nfs/dbraw/zinc/43/84/82/1170438482.db2.gz	ZJWBXLNWKKFTRV-SFYZADRCSA-N	0	0	194.278	3.097	10	0		AGAERN
CC[C@H](C)c1nnc([C@@H](C)C2CC2)o1	1341519648	1170438523	/nfs/dbraw/zinc/43/85/23/1170438523.db2.gz	GGKARNBPOPKWRG-YUMQZZPRSA-N	0	0	194.278	3.097	10	0		AGAERN
CC(C)c1nnc(/C=C/C(C)(C)C)o1	1345614562	1170471877	/nfs/dbraw/zinc/47/18/77/1170471877.db2.gz	HDAQMJVFFBRREW-VOTSOKGWSA-N	0	0	194.278	3.252	10	0		AGAERN
CC(C)c1nnc(/C=C\C(C)(C)C)o1	1345614561	1170472135	/nfs/dbraw/zinc/47/21/35/1170472135.db2.gz	HDAQMJVFFBRREW-SREVYHEPSA-N	0	0	194.278	3.252	10	0		AGAERN
CC/C=C(/C)c1nnc(CC(C)C)o1	1345895500	1170473494	/nfs/dbraw/zinc/47/34/94/1170473494.db2.gz	AVQKVTSVCMICOO-TWGQIWQCSA-N	0	0	194.278	3.081	10	0		AGAERN
CC[C@H](C)c1nnc(C2=CCCC2)o1	1345854284	1170473683	/nfs/dbraw/zinc/47/36/83/1170473683.db2.gz	BUDOKPDCAWYONE-QMMMGPOBSA-N	0	0	192.262	3.150	10	0		AGAERN
CC[C@@H](C)c1nnc(C2=CCCC2)o1	1345854278	1170474799	/nfs/dbraw/zinc/47/47/99/1170474799.db2.gz	BUDOKPDCAWYONE-MRVPVSSYSA-N	0	0	192.262	3.150	10	0		AGAERN
CC/C(C)=C/c1nnc([C@H](C)CC)o1	1346662202	1170481953	/nfs/dbraw/zinc/48/19/53/1170481953.db2.gz	HTMWYTNNSCKZKU-FCZSHJHJSA-N	0	0	194.278	3.396	10	0		AGAERN
CC/C(C)=C/c1nnc([C@@H](C)CC)o1	1346662203	1170482186	/nfs/dbraw/zinc/48/21/86/1170482186.db2.gz	HTMWYTNNSCKZKU-FLOXNTQESA-N	0	0	194.278	3.396	10	0		AGAERN
CC/C(C)=C\c1nnc([C@@H](C)CC)o1	1346662204	1170482292	/nfs/dbraw/zinc/48/22/92/1170482292.db2.gz	HTMWYTNNSCKZKU-FUOZMLNRSA-N	0	0	194.278	3.396	10	0		AGAERN
CC/C(C)=C\c1nnc([C@H](C)CC)o1	1346662205	1170482296	/nfs/dbraw/zinc/48/22/96/1170482296.db2.gz	HTMWYTNNSCKZKU-UFGYOYAJSA-N	0	0	194.278	3.396	10	0		AGAERN
Cc1cc(OCCCC(C)C)ccn1	1348567391	1170504048	/nfs/dbraw/zinc/50/40/48/1170504048.db2.gz	FQPXJQBSGMFONH-UHFFFAOYSA-N	0	0	193.290	3.205	10	0		AGAERN
CC/C(C)=C/C(=O)OC1CCCCC1	1349674168	1170513645	/nfs/dbraw/zinc/51/36/45/1170513645.db2.gz	HHYQHTSKLSDMHS-MDZDMXLPSA-N	0	0	196.290	3.219	10	0		AGAERN
CC/C(C)=C\C(=O)OC1CCCCC1	1349674164	1170513887	/nfs/dbraw/zinc/51/38/87/1170513887.db2.gz	HHYQHTSKLSDMHS-KTKRTIGZSA-N	0	0	196.290	3.219	10	0		AGAERN
CCCCC(=O)NCCCCC(C)C	1354071276	1170545391	/nfs/dbraw/zinc/54/53/91/1170545391.db2.gz	RNXBUKKWELYXSD-UHFFFAOYSA-N	0	0	199.338	3.119	10	0		AGAERN
CCc1cc(SC)c(C)cc1OC	1459211755	1170574574	/nfs/dbraw/zinc/57/45/74/1170574574.db2.gz	KROAXMFMZPYENN-UHFFFAOYSA-N	0	0	196.315	3.288	10	0		AGAERN
CCc1ccc(N(CC)C(C)C)cc1	1460192917	1170576192	/nfs/dbraw/zinc/57/61/92/1170576192.db2.gz	GLUFQLNKPULIPS-UHFFFAOYSA-N	0	0	191.318	3.484	10	0		AGAERN
CCON(CC)C[C@@H]1CCCC[C@H]1C	1460644972	1170579088	/nfs/dbraw/zinc/57/90/88/1170579088.db2.gz	MUEZOXAIPMNTSP-NEPJUHHUSA-N	0	0	199.338	3.086	10	0		AGAERN
CCON(CC)C[C@H]1CCCC[C@@H]1C	1460644974	1170579377	/nfs/dbraw/zinc/57/93/77/1170579377.db2.gz	MUEZOXAIPMNTSP-NWDGAFQWSA-N	0	0	199.338	3.086	10	0		AGAERN
CCON(CC)C[C@@H]1CCCC[C@@H]1C	1460644977	1170579388	/nfs/dbraw/zinc/57/93/88/1170579388.db2.gz	MUEZOXAIPMNTSP-RYUDHWBXSA-N	0	0	199.338	3.086	10	0		AGAERN
CCON(CC)C[C@H]1CCCC[C@H]1C	1460644978	1170580029	/nfs/dbraw/zinc/58/00/29/1170580029.db2.gz	MUEZOXAIPMNTSP-VXGBXAGGSA-N	0	0	199.338	3.086	10	0		AGAERN
CCCCNc1ccc(OC)cc1F	1462505839	1170583773	/nfs/dbraw/zinc/58/37/73/1170583773.db2.gz	VNQKENICSFBTHE-UHFFFAOYSA-N	0	0	197.253	3.046	10	0		AGAERN
CCON(CC)CCC1=CCCCC1	1473727341	1170596873	/nfs/dbraw/zinc/59/68/73/1170596873.db2.gz	AWTAHNHVPIWCJY-UHFFFAOYSA-N	0	0	197.322	3.150	10	0		AGAERN
CC(C)CCCC(=O)OC1CCCC1	1530333961	1170641511	/nfs/dbraw/zinc/64/15/11/1170641511.db2.gz	NWLBEBDMGMADPP-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
CCON(CC)CCC(C)(C)CC	1560081062	1170660304	/nfs/dbraw/zinc/66/03/04/1170660304.db2.gz	RFDCUXOIPNDTBL-UHFFFAOYSA-N	0	0	187.327	3.086	10	0		AGAERN
CCN(c1ccc(C)cc1)C1CCC1	1560138782	1170660368	/nfs/dbraw/zinc/66/03/68/1170660368.db2.gz	QIVUNAZUNBDWCV-UHFFFAOYSA-N	0	0	189.302	3.374	10	0		AGAERN
CCON(CC)CCCC(C)(C)C	1560080703	1170660652	/nfs/dbraw/zinc/66/06/52/1170660652.db2.gz	JRTUVYREKQCEMD-UHFFFAOYSA-N	0	0	187.327	3.086	10	0		AGAERN
CC[C@@H](C)[C@H](C)Sc1cnccn1	1613562774	1170804381	/nfs/dbraw/zinc/80/43/81/1170804381.db2.gz	XKFOBSAUSWRAIP-BDAKNGLRSA-N	0	0	196.319	3.003	10	0		AGAERN
CC[C@H](C)[C@@H](C)Sc1cnccn1	1613562775	1170804692	/nfs/dbraw/zinc/80/46/92/1170804692.db2.gz	XKFOBSAUSWRAIP-DTWKUNHWSA-N	0	0	196.319	3.003	10	0		AGAERN
CC[C@@H](C)[C@@H](C)Sc1cnccn1	1613562777	1170804767	/nfs/dbraw/zinc/80/47/67/1170804767.db2.gz	XKFOBSAUSWRAIP-RKDXNWHRSA-N	0	0	196.319	3.003	10	0		AGAERN
CC[C@H](C)[C@H](C)Sc1cnccn1	1613562776	1170805069	/nfs/dbraw/zinc/80/50/69/1170805069.db2.gz	XKFOBSAUSWRAIP-IUCAKERBSA-N	0	0	196.319	3.003	10	0		AGAERN
CCON(CC)CCC(C)(C)C1CC1	1620512994	1170815089	/nfs/dbraw/zinc/81/50/89/1170815089.db2.gz	RAAJKMDPUPOMNO-UHFFFAOYSA-N	0	0	199.338	3.086	10	0		AGAERN
CCN(c1ccccc1)[C@H](C)C1CC1	1620497427	1170815287	/nfs/dbraw/zinc/81/52/87/1170815287.db2.gz	OAYRFUBQKAKZNO-LLVKDONJSA-N	0	0	189.302	3.311	10	0		AGAERN
CCCN(c1ccccc1)[C@@H]1C[C@@H]1C	1618461872	1170816056	/nfs/dbraw/zinc/81/60/56/1170816056.db2.gz	DXEZHYWIIJJCNK-WCQYABFASA-N	0	0	189.302	3.311	10	0		AGAERN
CCCN(c1ccccc1)[C@H]1C[C@H]1C	1618461873	1170816578	/nfs/dbraw/zinc/81/65/78/1170816578.db2.gz	DXEZHYWIIJJCNK-YPMHNXCESA-N	0	0	189.302	3.311	10	0		AGAERN
CCCN(c1ccccc1)[C@H]1C[C@@H]1C	1618461870	1170818342	/nfs/dbraw/zinc/81/83/42/1170818342.db2.gz	DXEZHYWIIJJCNK-AAEUAGOBSA-N	0	0	189.302	3.311	10	0		AGAERN
CCN(c1ccccc1)[C@@H](C)C1CC1	1620497428	1170818610	/nfs/dbraw/zinc/81/86/10/1170818610.db2.gz	OAYRFUBQKAKZNO-NSHDSACASA-N	0	0	189.302	3.311	10	0		AGAERN
CCCN(c1ccccc1)[C@@H]1C[C@H]1C	1618461871	1170819571	/nfs/dbraw/zinc/81/95/71/1170819571.db2.gz	DXEZHYWIIJJCNK-DGCLKSJQSA-N	0	0	189.302	3.311	10	0		AGAERN
CSCC(C)(C)C(C)C	1641418719	1170860042	/nfs/dbraw/zinc/86/00/42/1170860042.db2.gz	LGLFOQGGHUWSNP-UHFFFAOYSA-N	0	0	146.299	3.032	10	0		AGAERN
CC[C@@H](C)CN(C)c1ccccc1F	1642244603	1170860571	/nfs/dbraw/zinc/86/05/71/1170860571.db2.gz	YAXLOAMWFVPMBG-SNVBAGLBSA-N	0	0	195.281	3.308	10	0		AGAERN
CC[C@H](C)CN(C)c1ccccc1F	1642244602	1170863902	/nfs/dbraw/zinc/86/39/02/1170863902.db2.gz	YAXLOAMWFVPMBG-JTQLQIEISA-N	0	0	195.281	3.308	10	0		AGAERN
C=C/C=C\CCSc1ccncc1	1643746897	1170871711	/nfs/dbraw/zinc/87/17/11/1170871711.db2.gz	SNRRKEFGWHXKKM-ARJAWSKDSA-N	0	0	191.299	3.306	10	0		AGAERN
CC[C@@H](C)[C@@H](C)Sc1cccnn1	1643840136	1170872022	/nfs/dbraw/zinc/87/20/22/1170872022.db2.gz	HVLRSVPBSGFJGV-RKDXNWHRSA-N	0	0	196.319	3.003	10	0		AGAERN
C=C/C=C/CCSc1ccncc1	1643746898	1170872128	/nfs/dbraw/zinc/87/21/28/1170872128.db2.gz	SNRRKEFGWHXKKM-ONEGZZNKSA-N	0	0	191.299	3.306	10	0		AGAERN
CC[C@@H](C)[C@H](C)Sc1cccnn1	1643840133	1170872918	/nfs/dbraw/zinc/87/29/18/1170872918.db2.gz	HVLRSVPBSGFJGV-BDAKNGLRSA-N	0	0	196.319	3.003	10	0		AGAERN
CC[C@H](C)[C@@H](C)Sc1cccnn1	1643840134	1170873918	/nfs/dbraw/zinc/87/39/18/1170873918.db2.gz	HVLRSVPBSGFJGV-DTWKUNHWSA-N	0	0	196.319	3.003	10	0		AGAERN
CC[C@H](C)[C@H](C)Sc1cccnn1	1643840135	1170873960	/nfs/dbraw/zinc/87/39/60/1170873960.db2.gz	HVLRSVPBSGFJGV-IUCAKERBSA-N	0	0	196.319	3.003	10	0		AGAERN
C=C/C=C\CCSCC1CC1	1643958897	1170874370	/nfs/dbraw/zinc/87/43/70/1170874370.db2.gz	IDMTVBIZEBXWLF-ARJAWSKDSA-N	0	0	168.305	3.262	10	0		AGAERN
C=C/C=C/CCSCC1CC1	1643958898	1170874524	/nfs/dbraw/zinc/87/45/24/1170874524.db2.gz	IDMTVBIZEBXWLF-ONEGZZNKSA-N	0	0	168.305	3.262	10	0		AGAERN
C=C/C=C\CCN(C)c1ccsc1	1646537254	1170880111	/nfs/dbraw/zinc/88/01/11/1170880111.db2.gz	WKRXPSGEMYJGEH-PLNGDYQASA-N	0	0	193.315	3.317	10	0		AGAERN
C=C/C=C/CCN(C)c1ccsc1	1646537255	1170882299	/nfs/dbraw/zinc/88/22/99/1170882299.db2.gz	WKRXPSGEMYJGEH-SNAWJCMRSA-N	0	0	193.315	3.317	10	0		AGAERN
CC(C)=CCN(C)c1ccccc1C	1647840685	1170883020	/nfs/dbraw/zinc/88/30/20/1170883020.db2.gz	ITPJLGAUCIMUNG-UHFFFAOYSA-N	0	0	189.302	3.397	10	0		AGAERN
C1=C[C@@H]2C[C@H]1C[C@@H]2CSC1CCC1	1651996574	1170891817	/nfs/dbraw/zinc/89/18/17/1170891817.db2.gz	FVSVBMMGPGAKKJ-HBNTYKKESA-N	0	0	194.343	3.484	10	0		AGAERN
C1=C[C@@H]2C[C@H]1C[C@H]2CSC1CCC1	1651996573	1170895058	/nfs/dbraw/zinc/89/50/58/1170895058.db2.gz	FVSVBMMGPGAKKJ-AXFHLTTASA-N	0	0	194.343	3.484	10	0		AGAERN
CCc1cn(CCC(C)(C)CC)cn1	1652205443	1170895504	/nfs/dbraw/zinc/89/55/04/1170895504.db2.gz	GDSNKFUUIDORRP-UHFFFAOYSA-N	0	0	194.322	3.272	10	0		AGAERN
CC(C)Sc1nc(C(C)(C)C)co1	1652262177	1170896308	/nfs/dbraw/zinc/89/63/08/1170896308.db2.gz	CSIBVMXHMMZYGP-UHFFFAOYSA-N	0	0	199.319	3.473	10	0		AGAERN
CC[C@H](C)[C@@H](C)Sc1ncco1	1652807416	1170900550	/nfs/dbraw/zinc/90/05/50/1170900550.db2.gz	MGMWVZQQZCIATF-JGVFFNPUSA-N	0	0	185.292	3.201	10	0		AGAERN
CC[C@@H](C)[C@@H](C)Sc1ncco1	1652807415	1170901100	/nfs/dbraw/zinc/90/11/00/1170901100.db2.gz	MGMWVZQQZCIATF-HTQZYQBOSA-N	0	0	185.292	3.201	10	0		AGAERN
CC[C@@H](C)[C@H](C)Sc1ncco1	1652807417	1170901610	/nfs/dbraw/zinc/90/16/10/1170901610.db2.gz	MGMWVZQQZCIATF-SFYZADRCSA-N	0	0	185.292	3.201	10	0		AGAERN
C(CSCC1CC1)CC1CC1	1652858350	1170901987	/nfs/dbraw/zinc/90/19/87/1170901987.db2.gz	RPGCLGGUFNFCPH-UHFFFAOYSA-N	0	0	170.321	3.320	10	0		AGAERN
CC[C@H](C)[C@H](C)Sc1ncco1	1652807418	1170902056	/nfs/dbraw/zinc/90/20/56/1170902056.db2.gz	MGMWVZQQZCIATF-YUMQZZPRSA-N	0	0	185.292	3.201	10	0		AGAERN
CCSc1nc(C(C)(C)C)co1	1653138115	1170903765	/nfs/dbraw/zinc/90/37/65/1170903765.db2.gz	NUFVOQDQMSKDAV-UHFFFAOYSA-N	0	0	185.292	3.084	10	0		AGAERN
Cc1ccc(CSCC2CC2)o1	1653106277	1170907650	/nfs/dbraw/zinc/90/76/50/1170907650.db2.gz	PWXULECNWPVMTB-UHFFFAOYSA-N	0	0	182.288	3.231	10	0		AGAERN
CCCCc1ccc(N(C)CC)cc1	1653712469	1170911354	/nfs/dbraw/zinc/91/13/54/1170911354.db2.gz	FOWMDUKCEGQOEH-UHFFFAOYSA-N	0	0	191.318	3.485	10	0		AGAERN
C=C/C=C\CCN(CC(C)(C)C)OC	1654385491	1170913881	/nfs/dbraw/zinc/91/38/81/1170913881.db2.gz	FPWUKIUYLUTKPC-FPLPWBNLSA-N	0	0	197.322	3.028	10	0		AGAERN
C=C/C=C/CCN(CC(C)(C)C)OC	1654385490	1170914240	/nfs/dbraw/zinc/91/42/40/1170914240.db2.gz	FPWUKIUYLUTKPC-BQYQJAHWSA-N	0	0	197.322	3.028	10	0		AGAERN
C=C/C=C/CCN(C#N)c1ccccc1	1656336363	1170923760	/nfs/dbraw/zinc/92/37/60/1170923760.db2.gz	MBKCYMMSWMYHOL-ONEGZZNKSA-N	0	0	198.269	3.106	10	0		AGAERN
C=C/C=C\CCN(C#N)c1ccccc1	1656336362	1170924130	/nfs/dbraw/zinc/92/41/30/1170924130.db2.gz	MBKCYMMSWMYHOL-ARJAWSKDSA-N	0	0	198.269	3.106	10	0		AGAERN
C=COc1ccc(NCC(C)C)cc1	1658105030	1170928223	/nfs/dbraw/zinc/92/82/23/1170928223.db2.gz	IZKYSBZYPAXMIY-UHFFFAOYSA-N	0	0	191.274	3.277	10	0		AGAERN
CC(C)n1ccc2cc(Cl)cnc21	213816754	571672337	/nfs/dbraw/zinc/67/23/37/571672337.db2.gz	UKKAGULSSRLHNP-UHFFFAOYSA-N	0	0	194.665	3.271	10	0		AGAERN
CCc1cc(O)cc(C(C)C)c1OC	213794290	571672376	/nfs/dbraw/zinc/67/23/76/571672376.db2.gz	JWWIQMQXCUUUNF-UHFFFAOYSA-N	0	0	194.274	3.087	10	0		AGAERN
Oc1cccc(C2CCSCC2)c1	213808274	571672536	/nfs/dbraw/zinc/67/25/36/571672536.db2.gz	ZVQUNUWADIRSNM-UHFFFAOYSA-N	0	0	194.299	3.003	10	0		AGAERN
C/C=C\CNc1ccc(C)cc1C	379286418	571672914	/nfs/dbraw/zinc/67/29/14/571672914.db2.gz	NBUVLFLXIAJHLB-PLNGDYQASA-N	0	0	175.275	3.291	10	0		AGAERN
CC(=O)c1cc(Cl)cc2c1CCC2	213816484	571672920	/nfs/dbraw/zinc/67/29/20/571672920.db2.gz	KYZPKLXHDZNPAC-UHFFFAOYSA-N	0	0	194.661	3.031	10	0		AGAERN
Cc1[nH]c2cc(Cl)c(N)cc2c1C	213818475	571673177	/nfs/dbraw/zinc/67/31/77/571673177.db2.gz	JBDHBBCAZINCPN-UHFFFAOYSA-N	0	0	194.665	3.020	10	0		AGAERN
CCc1ccc(C(C)C)c(O)c1OC	213794380	571673543	/nfs/dbraw/zinc/67/35/43/571673543.db2.gz	UUEIANQJZAXAGO-UHFFFAOYSA-N	0	0	194.274	3.087	10	0		AGAERN
Cc1[nH]c2ccc(N)c(Cl)c2c1C	213818385	571673771	/nfs/dbraw/zinc/67/37/71/571673771.db2.gz	WBSXCWZLJRIOLQ-UHFFFAOYSA-N	0	0	194.665	3.020	10	0		AGAERN
CC(C)c1cc2nccc(Cl)c2[nH]1	213817015	571673882	/nfs/dbraw/zinc/67/38/82/571673882.db2.gz	BWKGBWWPFRHAAC-UHFFFAOYSA-N	0	0	194.665	3.340	10	0		AGAERN
CC(=O)c1ccc(C2CC2)c(Cl)c1	213816573	571673899	/nfs/dbraw/zinc/67/38/99/571673899.db2.gz	QZFCVBGHEFUPLB-UHFFFAOYSA-N	0	0	194.661	3.420	10	0		AGAERN
CCC(CC)c1ccc(OC)c(O)c1	213794211	571673911	/nfs/dbraw/zinc/67/39/11/571673911.db2.gz	CIMANXROEKPKDM-UHFFFAOYSA-N	0	0	194.274	3.304	10	0		AGAERN
CCC[C@H](O)C1C[C@@H](C)C[C@@H](C)C1	84836678	571674649	/nfs/dbraw/zinc/67/46/49/571674649.db2.gz	QHMWKRQRIJZUQV-MBYGNEARSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC[C@@H](O)C1C[C@@H](C)C[C@@H](C)C1	84836680	571675191	/nfs/dbraw/zinc/67/51/91/571675191.db2.gz	QHMWKRQRIJZUQV-AYLPWXGPSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@@H](O)C1C[C@@H](C)C[C@@H](C)C1	84836685	571675684	/nfs/dbraw/zinc/67/56/84/571675684.db2.gz	INRYMCWKAPTEEK-ZGVCCVRISA-N	0	0	198.350	3.466	10	0		AGAERN
C/C=C\Sc1ccc(C)o1	213827382	571675444	/nfs/dbraw/zinc/67/54/44/571675444.db2.gz	YLWWCWNELLFPJH-UTCJRWHESA-N	0	0	154.234	3.214	10	0		AGAERN
CCCC[C@@H](NC(C)C)C(F)(F)F	687715167	571675581	/nfs/dbraw/zinc/67/55/81/571675581.db2.gz	LBTXDXKLLNGHKL-MRVPVSSYSA-N	0	0	197.244	3.106	10	0		AGAERN
CC(C)C[C@@H](O)C1C[C@H](C)C[C@@H](C)C1	84836688	571675760	/nfs/dbraw/zinc/67/57/60/571675760.db2.gz	INRYMCWKAPTEEK-NQBHXWOUSA-N	0	0	198.350	3.466	10	0		AGAERN
C[C@H](C[C@]1(O)CC[C@@H]2C[C@@H]21)C(C)(C)C	710784382	571675855	/nfs/dbraw/zinc/67/58/55/571675855.db2.gz	DRFJDXAZHFXUDA-HNCHTBHHSA-N	0	0	196.334	3.220	10	0		AGAERN
C[C@H](C[C@]1(O)CC[C@H]2C[C@H]21)C(C)(C)C	710784383	571676173	/nfs/dbraw/zinc/67/61/73/571676173.db2.gz	DRFJDXAZHFXUDA-LSCVPOLPSA-N	0	0	196.334	3.220	10	0		AGAERN
CCCC[C@H](C)c1nc(C(C)C)n[nH]1	300999132	571676691	/nfs/dbraw/zinc/67/66/91/571676691.db2.gz	XQPSDOVWQYNRLJ-VIFPVBQESA-N	0	0	195.310	3.222	10	0		AGAERN
CC(C)=C[C@@H](CCO)c1ccccc1	34568234	571676945	/nfs/dbraw/zinc/67/69/45/571676945.db2.gz	WGZXHCIDWJTWQO-CYBMUJFWSA-N	0	0	190.286	3.119	10	0		AGAERN
CCCC[C@H](NC(C)C)C(F)(F)F	687715168	571677490	/nfs/dbraw/zinc/67/74/90/571677490.db2.gz	LBTXDXKLLNGHKL-QMMMGPOBSA-N	0	0	197.244	3.106	10	0		AGAERN
CCCC[C@@H](C)c1nc(C(C)C)n[nH]1	300999131	571677930	/nfs/dbraw/zinc/67/79/30/571677930.db2.gz	XQPSDOVWQYNRLJ-SECBINFHSA-N	0	0	195.310	3.222	10	0		AGAERN
CCCC[C@H](O)[C@@H]1CCC[C@H](C)C1	53787042	571678028	/nfs/dbraw/zinc/67/80/28/571678028.db2.gz	ZDJPFQVMHUVZOW-TUAOUCFPSA-N	0	0	184.323	3.364	10	0		AGAERN
C/C=C\c1ccc(C)c(C)c1O	213884227	571678239	/nfs/dbraw/zinc/67/82/39/571678239.db2.gz	MHZZUEHETMMXSI-PLNGDYQASA-N	0	0	162.232	3.042	10	0		AGAERN
CCCc1cc2cc(OC)ccc2[nH]1	21981619	571678607	/nfs/dbraw/zinc/67/86/07/571678607.db2.gz	ORLGHGJCMLYKNU-UHFFFAOYSA-N	0	0	189.258	3.129	10	0		AGAERN
C[C@@H]1CC(CC[C@@H](C)O)C[C@H](C)C1	84836759	571678613	/nfs/dbraw/zinc/67/86/13/571678613.db2.gz	WIMAHGRLJMMFBQ-FBTJUVTCSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)=C[C@H](CCO)c1ccccc1	34568236	571678737	/nfs/dbraw/zinc/67/87/37/571678737.db2.gz	WGZXHCIDWJTWQO-ZDUSSCGKSA-N	0	0	190.286	3.119	10	0		AGAERN
CCC(C)(C)[C@H]1CC[C@@H](C)C[C@@H]1O	84837286	571679830	/nfs/dbraw/zinc/67/98/30/571679830.db2.gz	XCMYAJBROXWHCX-VWYCJHECSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC(C)(C)[C@H]1CC[C@H](C)C[C@@H]1O	84837284	571680420	/nfs/dbraw/zinc/68/04/20/571680420.db2.gz	XCMYAJBROXWHCX-DCAQKATOSA-N	0	0	184.323	3.220	10	0		AGAERN
CO/C=C/C(C)=C/Oc1ccccc1	213882337	571680658	/nfs/dbraw/zinc/68/06/58/571680658.db2.gz	IXLZSMWNHAWITA-BNFZFUHLSA-N	0	0	190.242	3.129	10	0		AGAERN
CCC(=O)CC[C@H]1CCC[C@@H]1C	213871073	571680677	/nfs/dbraw/zinc/68/06/77/571680677.db2.gz	KOTZBKXCRLEXGF-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
CC/C=C\c1cc(OC)ccc1OC	200009917	571680687	/nfs/dbraw/zinc/68/06/87/571680687.db2.gz	SRAUUJIBBDQSRV-WAYWQWQTSA-N	0	0	192.258	3.127	10	0		AGAERN
CCC(=O)CC[C@H]1CCC[C@H]1C	213871136	571680753	/nfs/dbraw/zinc/68/07/53/571680753.db2.gz	KOTZBKXCRLEXGF-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC(=O)CC[C@@H]1CCC[C@@H]1C	213871014	571681676	/nfs/dbraw/zinc/68/16/76/571681676.db2.gz	KOTZBKXCRLEXGF-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC(/C=C\c1noc(C)c1N)CC	200008964	571682065	/nfs/dbraw/zinc/68/20/65/571682065.db2.gz	LXWIXULPKRQFDN-SREVYHEPSA-N	0	0	194.278	3.015	10	0		AGAERN
CCc1cc2c(Cl)c(O)ccc2[nH]1	213902795	571686216	/nfs/dbraw/zinc/68/62/16/571686216.db2.gz	BZVRAZDRGHAZFW-UHFFFAOYSA-N	0	0	195.649	3.089	10	0		AGAERN
C[C@H](O)CCC1C[C@@H](C)C[C@@H](C)C1	220387348	571687732	/nfs/dbraw/zinc/68/77/32/571687732.db2.gz	WIMAHGRLJMMFBQ-PSIUFMSWSA-N	0	0	184.323	3.220	10	0		AGAERN
CCc1cc(Cl)c2c(c1)NCCC2	213908577	571688966	/nfs/dbraw/zinc/68/89/66/571688966.db2.gz	DXJOIEBCDFWJBV-UHFFFAOYSA-N	0	0	195.693	3.261	10	0		AGAERN
CC1(C)CCc2cc(Cl)ccc2N1	138769626	571689021	/nfs/dbraw/zinc/68/90/21/571689021.db2.gz	CJZQVKJJBOZRSP-UHFFFAOYSA-N	0	0	195.693	3.477	10	0		AGAERN
CCCCC/C=C/C[C@H]1CCC(=O)O1	5510517	571689431	/nfs/dbraw/zinc/68/94/31/571689431.db2.gz	QFXOXDSHNXAFEY-MLRMMBSGSA-N	0	0	196.290	3.219	10	0	endogenous,in-man	AGAERN
CCCCC/C=C/C[C@@H]1CCC(=O)O1	5510509	571689633	/nfs/dbraw/zinc/68/96/33/571689633.db2.gz	QFXOXDSHNXAFEY-XUIVZRPNSA-N	0	0	196.290	3.219	10	0	endogenous,in-man	AGAERN
CCC(CC)c1ccc(CO)cc1F	213955246	571692486	/nfs/dbraw/zinc/69/24/86/571692486.db2.gz	LPZZENSCEMQPMW-UHFFFAOYSA-N	0	0	196.265	3.222	10	0		AGAERN
CC1(C)C=Cc2cc(F)ccc2N1	138770971	571693941	/nfs/dbraw/zinc/69/39/41/571693941.db2.gz	DVOMYAZQUDVGSZ-UHFFFAOYSA-N	0	0	177.222	3.043	10	0		AGAERN
CCC[C@@H](O)[C@H]1CCC[C@H](CC)C1	70565947	571694108	/nfs/dbraw/zinc/69/41/08/571694108.db2.gz	HWHDYENRAZEWPX-SDDRHHMPSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H]1CCC[C@H]([C@@H]2CCCC2=O)C1	70567383	571694623	/nfs/dbraw/zinc/69/46/23/571694623.db2.gz	CVTRMXMPFRVDCM-DCAQKATOSA-N	0	0	180.291	3.182	10	0		AGAERN
CCC[C@@H](O)[C@@H]1CCC[C@H](CC)C1	70565945	571694638	/nfs/dbraw/zinc/69/46/38/571694638.db2.gz	HWHDYENRAZEWPX-QJPTWQEYSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H]1CCC[C@@H]([C@@H]2CCCC2=O)C1	70567385	571694885	/nfs/dbraw/zinc/69/48/85/571694885.db2.gz	CVTRMXMPFRVDCM-AXFHLTTASA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1cccc(OC(C)(C)C)c1C	113209980	571695045	/nfs/dbraw/zinc/69/50/45/571695045.db2.gz	ZVBVHEPOIPIHNW-UHFFFAOYSA-N	0	0	178.275	3.481	10	0		AGAERN
CC[C@@H](CC(F)F)C[C@@H](O)C(C)C	687893941	571695093	/nfs/dbraw/zinc/69/50/93/571695093.db2.gz	ZPSIVJAWJMMGBU-RKDXNWHRSA-N	0	0	194.265	3.075	10	0		AGAERN
CC[C@H]1CCC[C@@H]([C@@H]2CCC[C@@H]2O)C1	70567353	571695132	/nfs/dbraw/zinc/69/51/32/571695132.db2.gz	HUDXRHAYTGHJGM-RNJOBUHISA-N	0	0	196.334	3.364	10	0		AGAERN
CCC[C@H](O)[C@@H]1CCC[C@H](CC)C1	70565944	571695481	/nfs/dbraw/zinc/69/54/81/571695481.db2.gz	HWHDYENRAZEWPX-TUAOUCFPSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](CC(F)F)C[C@@H](O)C(C)C	687893933	571695904	/nfs/dbraw/zinc/69/59/04/571695904.db2.gz	ZPSIVJAWJMMGBU-DTWKUNHWSA-N	0	0	194.265	3.075	10	0		AGAERN
CC[C@H]1CCC[C@H]([C@@H]2CCC[C@@H]2O)C1	70567351	571695961	/nfs/dbraw/zinc/69/59/61/571695961.db2.gz	HUDXRHAYTGHJGM-CYDGBPFRSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC[C@H](O)[C@H]1CCC[C@H](CC)C1	70565946	571696042	/nfs/dbraw/zinc/69/60/42/571696042.db2.gz	HWHDYENRAZEWPX-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H]1CCC[C@@H]([C@@H]2CCC[C@@H]2O)C1	70567352	571696237	/nfs/dbraw/zinc/69/62/37/571696237.db2.gz	HUDXRHAYTGHJGM-NDBYEHHHSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)(C)[C@@](C)(O)CCCC(F)F	687893945	571696907	/nfs/dbraw/zinc/69/69/07/571696907.db2.gz	ZPWYJNJWVKRELN-JTQLQIEISA-N	0	0	194.265	3.219	10	0		AGAERN
CC(C)(C)[C@](C)(O)CCCC(F)F	687893949	571696730	/nfs/dbraw/zinc/69/67/30/571696730.db2.gz	ZPWYJNJWVKRELN-SNVBAGLBSA-N	0	0	194.265	3.219	10	0		AGAERN
CC[C@H](CC(F)F)C[C@H](O)C(C)C	687893938	571696819	/nfs/dbraw/zinc/69/68/19/571696819.db2.gz	ZPSIVJAWJMMGBU-IUCAKERBSA-N	0	0	194.265	3.075	10	0		AGAERN
C[C@@H](O)c1ccc(C2CC2)c(Cl)c1	213988455	571698431	/nfs/dbraw/zinc/69/84/31/571698431.db2.gz	NANDEKQDJIAIQY-SSDOTTSWSA-N	0	0	196.677	3.271	10	0		AGAERN
CCC[NH2+][C@H](C)c1ccc([S-])cc1	70621119	571698025	/nfs/dbraw/zinc/69/80/25/571698025.db2.gz	KILDIFNKAPWQQR-SECBINFHSA-N	0	0	195.331	3.036	10	0		AGAERN
CC[C@H](C)[C@H](C)Nc1ccc(O)cc1	37131688	571698585	/nfs/dbraw/zinc/69/85/85/571698585.db2.gz	BRHDCRAFSSMRNS-UWVGGRQHSA-N	0	0	193.290	3.239	10	0		AGAERN
CC[C@@H](C)[C@@H](C)Nc1ccc(O)cc1	37131685	571699084	/nfs/dbraw/zinc/69/90/84/571699084.db2.gz	BRHDCRAFSSMRNS-NXEZZACHSA-N	0	0	193.290	3.239	10	0		AGAERN
CC(=O)Cc1c(Cl)ccc(C)c1C	213987909	571699340	/nfs/dbraw/zinc/69/93/40/571699340.db2.gz	ZARYXCPBCLMYEI-UHFFFAOYSA-N	0	0	196.677	3.088	10	0		AGAERN
CC[C@@H](C)[C@H](C)Nc1ccc(O)cc1	37131687	571699488	/nfs/dbraw/zinc/69/94/88/571699488.db2.gz	BRHDCRAFSSMRNS-ZJUUUORDSA-N	0	0	193.290	3.239	10	0		AGAERN
CCC[NH2+][C@@H](C)c1ccc([S-])cc1	70621118	571699776	/nfs/dbraw/zinc/69/97/76/571699776.db2.gz	KILDIFNKAPWQQR-VIFPVBQESA-N	0	0	195.331	3.036	10	0		AGAERN
C[C@@H](O)CCCCSC(C)(C)C	168346958	571699978	/nfs/dbraw/zinc/69/99/78/571699978.db2.gz	NJTLGORBWHQNIV-SECBINFHSA-N	0	0	190.352	3.069	10	0		AGAERN
C/C=C\CC(=O)[C@@H]1CCCC=C1C	214006742	571700165	/nfs/dbraw/zinc/70/01/65/571700165.db2.gz	WPIJQMICXHTCHP-DLRQAJBASA-N	0	0	178.275	3.268	10	0		AGAERN
C/C=C\CC(=O)[C@H]1CCCC=C1C	214006861	571700946	/nfs/dbraw/zinc/70/09/46/571700946.db2.gz	WPIJQMICXHTCHP-BYCRGOAPSA-N	0	0	178.275	3.268	10	0		AGAERN
CC[C@@H](CC(F)F)C[C@H](O)C(C)C	687893927	571701009	/nfs/dbraw/zinc/70/10/09/571701009.db2.gz	ZPSIVJAWJMMGBU-BDAKNGLRSA-N	0	0	194.265	3.075	10	0		AGAERN
CC/C=C\C/C=C/C=C/C(=O)OCC	13433788	571701537	/nfs/dbraw/zinc/70/15/37/571701537.db2.gz	KRCQDQXKPOKJOE-APXPRGKNSA-N	0	0	194.274	3.018	10	0	endogenous,in-man	AGAERN
C[C@H](O)CCCCSC(C)(C)C	168347035	571703478	/nfs/dbraw/zinc/70/34/78/571703478.db2.gz	NJTLGORBWHQNIV-VIFPVBQESA-N	0	0	190.352	3.069	10	0		AGAERN
C/C=C\CNc1cc(C)ccc1F	379287070	571711474	/nfs/dbraw/zinc/71/14/74/571711474.db2.gz	ZKPMADLELLFDFP-ARJAWSKDSA-N	0	0	179.238	3.122	10	0		AGAERN
Cc1ccc(C(F)(F)F)c(F)c1	95634762	571711581	/nfs/dbraw/zinc/71/15/81/571711581.db2.gz	RWMUVSDTKRNABJ-UHFFFAOYSA-N	0	0	177.120	3.027	10	0		AGAERN
CCOC(=O)c1cscc1C(C)C	132703021	571712500	/nfs/dbraw/zinc/71/25/00/571712500.db2.gz	OONABKOZSZENPH-UHFFFAOYSA-N	0	0	198.287	3.048	10	0		AGAERN
C/C=C\CNc1ccc(C)c(C)c1	379287023	571713278	/nfs/dbraw/zinc/71/32/78/571713278.db2.gz	YSRFNEMJQZJXNI-PLNGDYQASA-N	0	0	175.275	3.291	10	0		AGAERN
CCn1c(C(C)C)nc2ccccc21	572600	571718183	/nfs/dbraw/zinc/71/81/83/571718183.db2.gz	KCXAOXBKFGZPSG-UHFFFAOYSA-N	0	0	188.274	3.180	10	0		AGAERN
CC(=O)c1cc(Cl)c(C2CCC2)o1	214131758	571720766	/nfs/dbraw/zinc/72/07/66/571720766.db2.gz	QYVFABSLLAXIOZ-UHFFFAOYSA-N	0	0	198.649	3.403	10	0		AGAERN
CCc1ccc(Cl)cc1C(C)(C)O	214137383	571721716	/nfs/dbraw/zinc/72/17/16/571721716.db2.gz	SKZQXPNHQWXIJJ-UHFFFAOYSA-N	0	0	198.693	3.130	10	0		AGAERN
Cc1cc(Cl)c(C)c(C(C)(C)O)c1	214137735	571722020	/nfs/dbraw/zinc/72/20/20/571722020.db2.gz	HHCRPHFRILFYMZ-UHFFFAOYSA-N	0	0	198.693	3.184	10	0		AGAERN
CC[C@@H](C)c1ccc(CO)cc1Cl	214138194	571722453	/nfs/dbraw/zinc/72/24/53/571722453.db2.gz	QVDVWWQOEPESRA-MRVPVSSYSA-N	0	0	198.693	3.346	10	0		AGAERN
Cc1cc(C(C)(C)O)cc(Cl)c1C	214137648	571722590	/nfs/dbraw/zinc/72/25/90/571722590.db2.gz	UWKVEIJJALCNTF-UHFFFAOYSA-N	0	0	198.693	3.184	10	0		AGAERN
Cc1ccc(Cl)c(C(C)(C)O)c1C	214137463	571722939	/nfs/dbraw/zinc/72/29/39/571722939.db2.gz	PJUYWAXYIIOYQB-UHFFFAOYSA-N	0	0	198.693	3.184	10	0		AGAERN
CCCC[C@@H](C)C(=O)c1ccc[nH]1	301000705	571723008	/nfs/dbraw/zinc/72/30/08/571723008.db2.gz	XXLWXWNSIPLDLZ-SECBINFHSA-N	0	0	179.263	3.024	10	0		AGAERN
CCc1cc(Cl)cc(C(C)(C)O)c1	214137544	571723010	/nfs/dbraw/zinc/72/30/10/571723010.db2.gz	RGWBZYOKIXWDSL-UHFFFAOYSA-N	0	0	198.693	3.130	10	0		AGAERN
Cc1ccc(Cl)c(C)c1C(C)(C)O	214137895	571723181	/nfs/dbraw/zinc/72/31/81/571723181.db2.gz	CBFYHWNQJANJML-UHFFFAOYSA-N	0	0	198.693	3.184	10	0		AGAERN
CCCC[C@H](C)C(=O)c1ccc[nH]1	301000706	571723426	/nfs/dbraw/zinc/72/34/26/571723426.db2.gz	XXLWXWNSIPLDLZ-VIFPVBQESA-N	0	0	179.263	3.024	10	0		AGAERN
Cc1cc(C)c(Cl)c(C(C)(C)O)c1	214137812	571723438	/nfs/dbraw/zinc/72/34/38/571723438.db2.gz	SRMFZHKEQZTMLT-UHFFFAOYSA-N	0	0	198.693	3.184	10	0		AGAERN
CC[C@H](C)c1ccc(CO)cc1Cl	214138252	571723802	/nfs/dbraw/zinc/72/38/02/571723802.db2.gz	QVDVWWQOEPESRA-QMMMGPOBSA-N	0	0	198.693	3.346	10	0		AGAERN
CCS[C@@H]1CC[C@@H](n2cccc2)C1	233820110	571723998	/nfs/dbraw/zinc/72/39/98/571723998.db2.gz	FKTNBMFEKSYPPE-GHMZBOCLSA-N	0	0	195.331	3.335	10	0		AGAERN
CC1CC(CO)(C[C@H](C)C(C)(C)C)C1	710802705	571724498	/nfs/dbraw/zinc/72/44/98/571724498.db2.gz	KWHBLZQRHCZEAQ-AKJDGMEZSA-N	0	0	198.350	3.467	10	0		AGAERN
CC/C=C(\CC)[C@H](O)c1ccco1	139847327	571724638	/nfs/dbraw/zinc/72/46/38/571724638.db2.gz	YAMUWEAJBFMGMH-LAHYYIKRSA-N	0	0	180.247	3.059	10	0		AGAERN
CCNc1ccnc2cc(C)sc12	710801763	571724852	/nfs/dbraw/zinc/72/48/52/571724852.db2.gz	CMBILKZZSYVATM-UHFFFAOYSA-N	0	0	192.287	3.037	10	0		AGAERN
C/C=C\CNc1csc(C)c1	710802173	571724863	/nfs/dbraw/zinc/72/48/63/571724863.db2.gz	HWKRCRWCHXHGRM-ARJAWSKDSA-N	0	0	167.277	3.045	10	0		AGAERN
CCC[C@@H](COC)n1c(C)ccc1C	70659047	571724884	/nfs/dbraw/zinc/72/48/84/571724884.db2.gz	JIGPWEKXSZJMOE-LBPRGKRZSA-N	0	0	195.306	3.093	10	0		AGAERN
C/C=C/CNc1csc(C)c1	710802175	571724947	/nfs/dbraw/zinc/72/49/47/571724947.db2.gz	HWKRCRWCHXHGRM-ONEGZZNKSA-N	0	0	167.277	3.045	10	0		AGAERN
Cc1c[nH]c(-c2cc3ccccc3o2)n1	70653292	571725095	/nfs/dbraw/zinc/72/50/95/571725095.db2.gz	BTTHZPDFJYPQOH-UHFFFAOYSA-N	0	0	198.225	3.131	10	0		AGAERN
CC1CC(CO)(C[C@@H](C)C(C)(C)C)C1	710802706	571725573	/nfs/dbraw/zinc/72/55/73/571725573.db2.gz	KWHBLZQRHCZEAQ-QWKFWESOSA-N	0	0	198.350	3.467	10	0		AGAERN
CCS[C@@H]1CCC[C@@H]1n1cccc1	233818646	571725598	/nfs/dbraw/zinc/72/55/98/571725598.db2.gz	LIYYJXKRWRQJCE-WDEREUQCSA-N	0	0	195.331	3.335	10	0		AGAERN
CCC[C@H](COC)n1c(C)ccc1C	70659048	571725738	/nfs/dbraw/zinc/72/57/38/571725738.db2.gz	JIGPWEKXSZJMOE-GFCCVEGCSA-N	0	0	195.306	3.093	10	0		AGAERN
CCS[C@H]1CCC[C@@H]1n1cccc1	233825956	571726518	/nfs/dbraw/zinc/72/65/18/571726518.db2.gz	LIYYJXKRWRQJCE-QWRGUYRKSA-N	0	0	195.331	3.335	10	0		AGAERN
Cc1cccc(-c2cc(C)[nH]c2C=O)c1	214178832	571726986	/nfs/dbraw/zinc/72/69/86/571726986.db2.gz	NCKRUMSNURIMHL-UHFFFAOYSA-N	0	0	199.253	3.111	10	0		AGAERN
Cc1ccc(-c2cc(C)[nH]c2C=O)cc1	214178901	571727029	/nfs/dbraw/zinc/72/70/29/571727029.db2.gz	MBZXNUMCQFQCIM-UHFFFAOYSA-N	0	0	199.253	3.111	10	0		AGAERN
C[C@H](C[C@@]1(CO)C[C@H]1C)C(C)(C)C	710801337	571727478	/nfs/dbraw/zinc/72/74/78/571727478.db2.gz	UXJZYBJOMBDJHQ-FOGDFJRCSA-N	0	0	184.323	3.077	10	0		AGAERN
CCc1cc(C(C)(C)C)ccc1C=O	140110079	571727568	/nfs/dbraw/zinc/72/75/68/571727568.db2.gz	BXWADMYAKIWDFD-UHFFFAOYSA-N	0	0	190.286	3.359	10	0		AGAERN
CC(C)=CCCC1=CCCO1	140143101	571728109	/nfs/dbraw/zinc/72/81/09/571728109.db2.gz	PQAYYOABTJUTKX-UHFFFAOYSA-N	0	0	152.237	3.037	10	0		AGAERN
CCc1cc(-c2ccccc2)c(C=O)[nH]1	214178293	571728162	/nfs/dbraw/zinc/72/81/62/571728162.db2.gz	LISHVXQWZQQMTE-UHFFFAOYSA-N	0	0	199.253	3.057	10	0		AGAERN
CCCC[C@H](CCC)OC(=O)CC	140144292	571728488	/nfs/dbraw/zinc/72/84/88/571728488.db2.gz	DBOGDZMPZBITKJ-JTQLQIEISA-N	0	0	186.295	3.299	10	0		AGAERN
CCS[C@H]1CC[C@@H](n2cccc2)C1	233825410	571728512	/nfs/dbraw/zinc/72/85/12/571728512.db2.gz	FKTNBMFEKSYPPE-MNOVXSKESA-N	0	0	195.331	3.335	10	0		AGAERN
CC(C)(C)C/C=C/C(=O)OC(C)(C)C	140089153	571728684	/nfs/dbraw/zinc/72/86/84/571728684.db2.gz	GGYKEUCQUOKPDU-BQYQJAHWSA-N	0	0	198.306	3.321	10	0		AGAERN
C[C@H](F)CCSc1ccccc1N	214183540	571731334	/nfs/dbraw/zinc/73/13/34/571731334.db2.gz	OANADXKXWORELU-QMMMGPOBSA-N	0	0	199.294	3.109	10	0		AGAERN
C[C@H]1C[C@]1(CO)C[C@@H](C)C(C)(C)C	710801358	571729035	/nfs/dbraw/zinc/72/90/35/571729035.db2.gz	UXJZYBJOMBDJHQ-SCVCMEIPSA-N	0	0	184.323	3.077	10	0		AGAERN
Cc1cc(-c2ccccc2C)c(C=O)[nH]1	214178757	571729106	/nfs/dbraw/zinc/72/91/06/571729106.db2.gz	LNHQMARFPHVOAJ-UHFFFAOYSA-N	0	0	199.253	3.111	10	0		AGAERN
C[C@H](C[C@]1(CO)C[C@H]1C)C(C)(C)C	710801322	571729286	/nfs/dbraw/zinc/72/92/86/571729286.db2.gz	UXJZYBJOMBDJHQ-CKYFFXLPSA-N	0	0	184.323	3.077	10	0		AGAERN
CCC(C)(C)CC(=O)OC(C)(C)C	140179193	571729308	/nfs/dbraw/zinc/72/93/08/571729308.db2.gz	YXYKAKJECHGIOV-UHFFFAOYSA-N	0	0	186.295	3.154	10	0		AGAERN
CCCC[C@@H](CC)Cn1ccc(C)n1	70688185	571729569	/nfs/dbraw/zinc/72/95/69/571729569.db2.gz	RZGQDJPJXQCOGO-GFCCVEGCSA-N	0	0	194.322	3.408	10	0		AGAERN
CC(C)=CC/C=C\CCCCO	214185005	571729530	/nfs/dbraw/zinc/72/95/30/571729530.db2.gz	CAWKQDUEDLQNHW-HYXAFXHYSA-N	0	0	168.280	3.062	10	0		AGAERN
CCCC[C@H](CC)Cn1nccc1C	70688445	571729545	/nfs/dbraw/zinc/72/95/45/571729545.db2.gz	YATXUUUWCGDYLN-LBPRGKRZSA-N	0	0	194.322	3.408	10	0		AGAERN
CCCC[C@H](CC)Cn1ccc(C)n1	70688189	571729673	/nfs/dbraw/zinc/72/96/73/571729673.db2.gz	RZGQDJPJXQCOGO-LBPRGKRZSA-N	0	0	194.322	3.408	10	0		AGAERN
CCCC[C@@H](CC)Cn1nccc1C	70688443	571730070	/nfs/dbraw/zinc/73/00/70/571730070.db2.gz	YATXUUUWCGDYLN-GFCCVEGCSA-N	0	0	194.322	3.408	10	0		AGAERN
C[C@H](F)CCSc1ccc(N)cc1	214183320	571730129	/nfs/dbraw/zinc/73/01/29/571730129.db2.gz	LPLFEGBYBHSUDE-QMMMGPOBSA-N	0	0	199.294	3.109	10	0		AGAERN
C[C@@H](F)CCSc1cccc(N)c1	214183804	571730289	/nfs/dbraw/zinc/73/02/89/571730289.db2.gz	MZVDLKMODSENLM-MRVPVSSYSA-N	0	0	199.294	3.109	10	0		AGAERN
C[C@H](F)CCSc1cccc(N)c1	214183752	571730437	/nfs/dbraw/zinc/73/04/37/571730437.db2.gz	MZVDLKMODSENLM-QMMMGPOBSA-N	0	0	199.294	3.109	10	0		AGAERN
C[C@@H](F)CCSc1ccc(N)cc1	214183376	571730684	/nfs/dbraw/zinc/73/06/84/571730684.db2.gz	LPLFEGBYBHSUDE-MRVPVSSYSA-N	0	0	199.294	3.109	10	0		AGAERN
C[C@@H](F)CCSc1ccccc1N	214183597	571731458	/nfs/dbraw/zinc/73/14/58/571731458.db2.gz	OANADXKXWORELU-MRVPVSSYSA-N	0	0	199.294	3.109	10	0		AGAERN
CCC(CC)c1nc(C(C)=O)cs1	70848867	571733681	/nfs/dbraw/zinc/73/36/81/571733681.db2.gz	HHOAXWJAUMGAEM-UHFFFAOYSA-N	0	0	197.303	3.249	10	0		AGAERN
CC(C)CCC[C@@](C)(O)C1CCC1	393409995	571735039	/nfs/dbraw/zinc/73/50/39/571735039.db2.gz	IUJVYUXIKDLMCQ-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)C[C@H](C)Oc1ccccc1O	388673715	571735338	/nfs/dbraw/zinc/73/53/38/571735338.db2.gz	HLEGGWOOMWKPKE-JTQLQIEISA-N	0	0	194.274	3.206	10	0		AGAERN
CCC[C@H](C)C[C@H]1CCC(=O)C1	70738410	571745881	/nfs/dbraw/zinc/74/58/81/571745881.db2.gz	LLSLJLGGBOQHPX-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
O=C(C1CCC1)[C@H]1CCCCCS1	214263175	571739433	/nfs/dbraw/zinc/73/94/33/571739433.db2.gz	JMZSZUJXAHKUSN-SNVBAGLBSA-N	0	0	198.331	3.031	10	0		AGAERN
CC(=O)CCCCC(C)(C)C	70738792	571747366	/nfs/dbraw/zinc/74/73/66/571747366.db2.gz	KHLNQEIJPCPBOI-UHFFFAOYSA-N	0	0	156.269	3.182	10	0		AGAERN
Cc1ccc(N)c([C@@H]2C=CCCC2)c1	196066446	571737776	/nfs/dbraw/zinc/73/77/76/571737776.db2.gz	KXCGSYYABWJNTM-LLVKDONJSA-N	0	0	187.286	3.401	10	0		AGAERN
CCC[C@H](C)C(=O)Cc1ccccc1	38127059	571738129	/nfs/dbraw/zinc/73/81/29/571738129.db2.gz	NEZSYOGVSWGKKQ-NSHDSACASA-N	0	0	190.286	3.234	10	0		AGAERN
C=C/C=C\CCC=C(C)C	214261774	571738239	/nfs/dbraw/zinc/73/82/39/571738239.db2.gz	JZBYSXVJDANOLR-WAYWQWQTSA-N	0	0	136.238	3.475	10	0		AGAERN
Cc1cc(C)c(N)c([C@H]2C=CCC2)c1	196066382	571738918	/nfs/dbraw/zinc/73/89/18/571738918.db2.gz	KCPRHTGWNVBQDV-NSHDSACASA-N	0	0	187.286	3.319	10	0		AGAERN
Cc1ccc(N)c([C@H]2C=CCCC2)c1	196066435	571739504	/nfs/dbraw/zinc/73/95/04/571739504.db2.gz	KXCGSYYABWJNTM-NSHDSACASA-N	0	0	187.286	3.401	10	0		AGAERN
O=C(C1CCC1)[C@@H]1CCCCCS1	214263233	571740106	/nfs/dbraw/zinc/74/01/06/571740106.db2.gz	JMZSZUJXAHKUSN-JTQLQIEISA-N	0	0	198.331	3.031	10	0		AGAERN
CC(C)(C)PC(=O)C(C)(C)C	24737702	571740446	/nfs/dbraw/zinc/74/04/46/571740446.db2.gz	ASQCTCDUKWWZBB-UHFFFAOYSA-N	0	0	174.224	3.036	10	0		AGAERN
Cc1cc(C)c(N)c([C@@H]2C=CCC2)c1	196066390	571741086	/nfs/dbraw/zinc/74/10/86/571741086.db2.gz	KCPRHTGWNVBQDV-LLVKDONJSA-N	0	0	187.286	3.319	10	0		AGAERN
CCC(CC)[C@@H](O)CCC(F)(F)F	70917175	571741500	/nfs/dbraw/zinc/74/15/00/571741500.db2.gz	FPNXUXOYRYQXDR-QMMMGPOBSA-N	0	0	198.228	3.126	10	0		AGAERN
Cc1nc(Cl)cc2c1C=CCC2	196073355	571741544	/nfs/dbraw/zinc/74/15/44/571741544.db2.gz	MFYCEPPMZDNOKV-UHFFFAOYSA-N	0	0	179.650	3.003	10	0		AGAERN
C/C(=C\c1ccc(C)c(Cl)c1)CO	379347668	571741628	/nfs/dbraw/zinc/74/16/28/571741628.db2.gz	HTYBZYGNBMHTKE-VMPITWQZSA-N	0	0	196.677	3.044	10	0		AGAERN
CCC/C=C\CNc1ccccc1	214275328	571741783	/nfs/dbraw/zinc/74/17/83/571741783.db2.gz	ZRCXVUQKIIGSQF-YWEYNIOJSA-N	0	0	175.275	3.455	10	0		AGAERN
CC(=O)C[Si](C)(C)C(C)(C)C	196076485	571741796	/nfs/dbraw/zinc/74/17/96/571741796.db2.gz	GFPPGNWAXQBHLH-UHFFFAOYSA-N	0	0	172.344	3.084	10	0		AGAERN
CC(C)(C)CC(=O)CCC(F)(F)F	70915271	571741886	/nfs/dbraw/zinc/74/18/86/571741886.db2.gz	VAEWQMBPJJVNMF-UHFFFAOYSA-N	0	0	196.212	3.334	10	0		AGAERN
CC[C@@](O)(CCC(F)(F)F)C(C)C	70916957	571742069	/nfs/dbraw/zinc/74/20/69/571742069.db2.gz	IMDCLTUFSJFTNH-MRVPVSSYSA-N	0	0	198.228	3.126	10	0		AGAERN
CC(C)CC[C@@H](O)CCC(F)(F)F	70915671	571742110	/nfs/dbraw/zinc/74/21/10/571742110.db2.gz	LTFVYYRCLGMTFJ-MRVPVSSYSA-N	0	0	198.228	3.126	10	0		AGAERN
C[C@H]1CCC[C@H]([C@@H]2CCC(=O)C2)C1	70738391	571745359	/nfs/dbraw/zinc/74/53/59/571745359.db2.gz	VPVDXNJDCXQMHT-GARJFASQSA-N	0	0	180.291	3.182	10	0		AGAERN
C1=CCc2cc3ccccc3n2C=C1	140883337	571745042	/nfs/dbraw/zinc/74/50/42/571745042.db2.gz	OXBLTKUMOXNFOO-UHFFFAOYSA-N	0	0	181.238	3.224	10	0		AGAERN
O=C(CCC(F)(F)F)C1CCCC1	70915106	571742255	/nfs/dbraw/zinc/74/22/55/571742255.db2.gz	QBZZECOZUZTZOD-UHFFFAOYSA-N	0	0	194.196	3.088	10	0		AGAERN
CCC[C@H](C)[C@H](O)CCC(F)(F)F	70917388	571742268	/nfs/dbraw/zinc/74/22/68/571742268.db2.gz	HSGDCFUPWFVRCC-JGVFFNPUSA-N	0	0	198.228	3.126	10	0		AGAERN
CCC[C@@H](C)[C@H](O)CCC(F)(F)F	70917385	571742352	/nfs/dbraw/zinc/74/23/52/571742352.db2.gz	HSGDCFUPWFVRCC-HTQZYQBOSA-N	0	0	198.228	3.126	10	0		AGAERN
CC[C@H](F)CSC[C@@H](F)CC	168814615	571742399	/nfs/dbraw/zinc/74/23/99/571742399.db2.gz	QFBHECMVCAJSTC-YUMQZZPRSA-N	0	0	182.279	3.216	10	0		AGAERN
CCCCC[C@@H](O)CCC(F)(F)F	70917399	571742533	/nfs/dbraw/zinc/74/25/33/571742533.db2.gz	UHTJGBQGRDZPOY-MRVPVSSYSA-N	0	0	198.228	3.270	10	0		AGAERN
CC(C)CCC(=O)CCC(F)(F)F	70915129	571742565	/nfs/dbraw/zinc/74/25/65/571742565.db2.gz	WJZFFVOXYGTRLT-UHFFFAOYSA-N	0	0	196.212	3.334	10	0		AGAERN
CC[C@H](F)CSC[C@H](F)CC	168814528	571742613	/nfs/dbraw/zinc/74/26/13/571742613.db2.gz	QFBHECMVCAJSTC-OCAPTIKFSA-N	0	0	182.279	3.216	10	0		AGAERN
CC[C@H](C)[C@](C)(O)CCC(F)(F)F	70916946	571742896	/nfs/dbraw/zinc/74/28/96/571742896.db2.gz	NKVGPTUUMLFHNN-JGVFFNPUSA-N	0	0	198.228	3.126	10	0		AGAERN
CCC[C@@H](C)[C@@H](O)CCC(F)(F)F	70917389	571742856	/nfs/dbraw/zinc/74/28/56/571742856.db2.gz	HSGDCFUPWFVRCC-SFYZADRCSA-N	0	0	198.228	3.126	10	0		AGAERN
CC[C@@H](C)[C@@](C)(O)CCC(F)(F)F	70916948	571743089	/nfs/dbraw/zinc/74/30/89/571743089.db2.gz	NKVGPTUUMLFHNN-SFYZADRCSA-N	0	0	198.228	3.126	10	0		AGAERN
CC(C)(C)C[C@@H](O)CCC(F)(F)F	70915925	571743175	/nfs/dbraw/zinc/74/31/75/571743175.db2.gz	WLBPESFGKYDALK-ZETCQYMHSA-N	0	0	198.228	3.126	10	0		AGAERN
CC[C@](O)(CCC(F)(F)F)C(C)C	70916961	571743178	/nfs/dbraw/zinc/74/31/78/571743178.db2.gz	IMDCLTUFSJFTNH-QMMMGPOBSA-N	0	0	198.228	3.126	10	0		AGAERN
CCCCC[C@H](O)CCC(F)(F)F	70917396	571743213	/nfs/dbraw/zinc/74/32/13/571743213.db2.gz	UHTJGBQGRDZPOY-QMMMGPOBSA-N	0	0	198.228	3.270	10	0		AGAERN
CC[C@H](C)[C@@](C)(O)CCC(F)(F)F	70916952	571743241	/nfs/dbraw/zinc/74/32/41/571743241.db2.gz	NKVGPTUUMLFHNN-YUMQZZPRSA-N	0	0	198.228	3.126	10	0		AGAERN
CC(C)CC[C@H](O)CCC(F)(F)F	70915667	571743274	/nfs/dbraw/zinc/74/32/74/571743274.db2.gz	LTFVYYRCLGMTFJ-QMMMGPOBSA-N	0	0	198.228	3.126	10	0		AGAERN
Cc1ccc(C)n1[C@H]1C[C@H]2CC[C@@H]1C2	70711192	571743275	/nfs/dbraw/zinc/74/32/75/571743275.db2.gz	DXNDSLKRPYRXLQ-XQQFMLRXSA-N	0	0	189.302	3.466	10	0		AGAERN
CCC(CC)[C@H](O)CCC(F)(F)F	70917170	571743312	/nfs/dbraw/zinc/74/33/12/571743312.db2.gz	FPNXUXOYRYQXDR-MRVPVSSYSA-N	0	0	198.228	3.126	10	0		AGAERN
CCC[C@H](C)[C@@H](O)CCC(F)(F)F	70917393	571743348	/nfs/dbraw/zinc/74/33/48/571743348.db2.gz	HSGDCFUPWFVRCC-YUMQZZPRSA-N	0	0	198.228	3.126	10	0		AGAERN
Cc1ccc(C)n1[C@@H]1C[C@H]2CC[C@@H]1C2	70711191	571743390	/nfs/dbraw/zinc/74/33/90/571743390.db2.gz	DXNDSLKRPYRXLQ-YNEHKIRRSA-N	0	0	189.302	3.466	10	0		AGAERN
C[C@H]1CCc2c1[nH]c1ccccc21	138800987	571744336	/nfs/dbraw/zinc/74/43/36/571744336.db2.gz	SKTOZHWBDMGDDB-QMMMGPOBSA-N	0	0	171.243	3.218	10	0		AGAERN
CCCCCNc1ccc(O)cc1C	70735778	571744767	/nfs/dbraw/zinc/74/47/67/571744767.db2.gz	LLGZIALVMKBMBN-UHFFFAOYSA-N	0	0	193.290	3.303	10	0		AGAERN
CCC[C@@H](C)C[C@H]1CCC(=O)C1	70738408	571745212	/nfs/dbraw/zinc/74/52/12/571745212.db2.gz	LLSLJLGGBOQHPX-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@H](C)C[C@@H]1CCC(=O)C1	70738407	571745325	/nfs/dbraw/zinc/74/53/25/571745325.db2.gz	LLSLJLGGBOQHPX-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(=O)CC/C=C\c1ccc(F)cc1	140984373	571746051	/nfs/dbraw/zinc/74/60/51/571746051.db2.gz	HLVIKBMMMPBCCM-HYXAFXHYSA-N	0	0	192.233	3.208	10	0		AGAERN
C[C@H]1CCC[C@@H]([C@@H]2CCC(=O)C2)C1	70738395	571746167	/nfs/dbraw/zinc/74/61/67/571746167.db2.gz	VPVDXNJDCXQMHT-HBNTYKKESA-N	0	0	180.291	3.182	10	0		AGAERN
CCS[C@H]1CC[C@H](n2cccc2)C1	233852547	571746205	/nfs/dbraw/zinc/74/62/05/571746205.db2.gz	FKTNBMFEKSYPPE-QWRGUYRKSA-N	0	0	195.331	3.335	10	0		AGAERN
CCC[C@@H](C)C[C@@H]1CCC(=O)C1	70738406	571746346	/nfs/dbraw/zinc/74/63/46/571746346.db2.gz	LLSLJLGGBOQHPX-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(=O)CCCc1cc(C)ccc1C	70738690	571748190	/nfs/dbraw/zinc/74/81/90/571748190.db2.gz	QCDFMNMVXSFFGL-UHFFFAOYSA-N	0	0	190.286	3.215	10	0		AGAERN
CCCCC/C=C\CCCOC(C)=O	33838509	571746910	/nfs/dbraw/zinc/74/69/10/571746910.db2.gz	OVBJYGLPPVUWAV-FPLPWBNLSA-N	0	0	198.306	3.466	10	0	endogenous,in-man	AGAERN
CCCC/C(C)=C/CC(=O)OCC	38171399	571746981	/nfs/dbraw/zinc/74/69/81/571746981.db2.gz	XHNOQRNNBVTOCM-CSKARUKUSA-N	0	0	184.279	3.076	10	0		AGAERN
CCC(=O)CCC[C@H](C)CC	70739263	571746996	/nfs/dbraw/zinc/74/69/96/571746996.db2.gz	RSYKSARZNOFXRA-SECBINFHSA-N	0	0	156.269	3.182	10	0		AGAERN
CC[C@H](C)CCCC(=O)C1CC1	70739923	571747041	/nfs/dbraw/zinc/74/70/41/571747041.db2.gz	FLYZQJNKPYPDMG-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CNc1cc(Cl)cc(OC(C)C)c1	725442672	571748205	/nfs/dbraw/zinc/74/82/05/571748205.db2.gz	QFAYVPMBULNLPN-UHFFFAOYSA-N	0	0	199.681	3.169	10	0		AGAERN
CCC(=O)CCCC1CCCC1	70739176	571747147	/nfs/dbraw/zinc/74/71/47/571747147.db2.gz	UHHCWQIBINZVFA-UHFFFAOYSA-N	0	0	168.280	3.326	10	0		AGAERN
CC/C=C\COC(=O)CCCCC	33839585	571747198	/nfs/dbraw/zinc/74/71/98/571747198.db2.gz	ZZFNQLFGNVPSOG-VURMDHGXSA-N	0	0	184.279	3.076	10	0	endogenous,in-man	AGAERN
CC(C)CCCCC(=O)C1CC1	70739807	571747219	/nfs/dbraw/zinc/74/72/19/571747219.db2.gz	RPAOPNNXMZQWKV-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC(=O)CCc1cccc(C)c1C	70739185	571747336	/nfs/dbraw/zinc/74/73/36/571747336.db2.gz	ZQRVZHBLVKQQCR-UHFFFAOYSA-N	0	0	190.286	3.215	10	0		AGAERN
CC(=O)c1c(C)ccc(C)c1Cl	214317977	571747368	/nfs/dbraw/zinc/74/73/68/571747368.db2.gz	UDGIIYQFCAOFRL-UHFFFAOYSA-N	0	0	182.650	3.159	10	0		AGAERN
CCC(=O)CCc1ccc(F)c(C)c1	70739067	571747379	/nfs/dbraw/zinc/74/73/79/571747379.db2.gz	ZFQOHDXTOMQAIM-UHFFFAOYSA-N	0	0	194.249	3.046	10	0		AGAERN
CCC(=O)CCc1ccc(F)cc1C	70739239	571747453	/nfs/dbraw/zinc/74/74/53/571747453.db2.gz	HHGQUXGFARYGSU-UHFFFAOYSA-N	0	0	194.249	3.046	10	0		AGAERN
O=C(CCC1CC1)c1ccccc1	70740130	571747532	/nfs/dbraw/zinc/74/75/32/571747532.db2.gz	BBGNIBBDRGOGOE-UHFFFAOYSA-N	0	0	174.243	3.060	10	0		AGAERN
CCC(=O)CCCCc1ccsc1	70739159	571747552	/nfs/dbraw/zinc/74/75/52/571747552.db2.gz	QOUDFBIVULWJQY-UHFFFAOYSA-N	0	0	196.315	3.440	10	0		AGAERN
BrC1=C[C@H]2CC[C@@H](C1)C2	141078564	571747609	/nfs/dbraw/zinc/74/76/09/571747609.db2.gz	PCNOVRSCPYIJAF-NKWVEPMBSA-N	0	0	187.080	3.085	10	0		AGAERN
CCC(=O)CCc1cc(C)ccc1F	70739240	571747747	/nfs/dbraw/zinc/74/77/47/571747747.db2.gz	MENNGVYGZDTQBZ-UHFFFAOYSA-N	0	0	194.249	3.046	10	0		AGAERN
CC[C@@H](C)CCCC(=O)C(C)C	70739723	571747825	/nfs/dbraw/zinc/74/78/25/571747825.db2.gz	AYPGZOALJFMKNP-SNVBAGLBSA-N	0	0	170.296	3.428	10	0		AGAERN
CCS[C@@H]1CC[C@H](n2cccc2)C1	233851407	571748032	/nfs/dbraw/zinc/74/80/32/571748032.db2.gz	FKTNBMFEKSYPPE-WDEREUQCSA-N	0	0	195.331	3.335	10	0		AGAERN
CC[C@@H](C)Oc1cc(N)c(C)cc1C	233854803	571748039	/nfs/dbraw/zinc/74/80/39/571748039.db2.gz	MPEBMJXYTAYECL-SNVBAGLBSA-N	0	0	193.290	3.063	10	0		AGAERN
CCC(=O)CCC[C@@H](C)CC	70739265	571748452	/nfs/dbraw/zinc/74/84/52/571748452.db2.gz	RSYKSARZNOFXRA-VIFPVBQESA-N	0	0	156.269	3.182	10	0		AGAERN
CCc1ccc(CCCC(C)=O)s1	70738670	571748483	/nfs/dbraw/zinc/74/84/83/571748483.db2.gz	IMUBQSXLYZKLTF-UHFFFAOYSA-N	0	0	196.315	3.222	10	0		AGAERN
CC[C@@H](C)CCCC(=O)C1CC1	70739921	571748488	/nfs/dbraw/zinc/74/84/88/571748488.db2.gz	FLYZQJNKPYPDMG-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(=O)c1ccc(C)c(Cl)c1C	214317899	571748675	/nfs/dbraw/zinc/74/86/75/571748675.db2.gz	ICYATRGGRNGQBL-UHFFFAOYSA-N	0	0	182.650	3.159	10	0		AGAERN
CCC(=O)CCc1cc(F)ccc1C	70739141	571748785	/nfs/dbraw/zinc/74/87/85/571748785.db2.gz	ZIDQPLFHMKUQPH-UHFFFAOYSA-N	0	0	194.249	3.046	10	0		AGAERN
CCC(=O)CCCc1cccc(F)c1	70739065	571748959	/nfs/dbraw/zinc/74/89/59/571748959.db2.gz	XMPTVJSGPLWYBZ-UHFFFAOYSA-N	0	0	194.249	3.128	10	0		AGAERN
CC(C)=CCC[C@@H](C)CC1OCCO1	38235213	571748989	/nfs/dbraw/zinc/74/89/89/571748989.db2.gz	KCHXLUDCEMDEFL-LLVKDONJSA-N	0	0	198.306	3.132	10	0		AGAERN
CC(=O)CCCCc1ccsc1	70738741	571749123	/nfs/dbraw/zinc/74/91/23/571749123.db2.gz	AMRGHLODSQEHHO-UHFFFAOYSA-N	0	0	182.288	3.050	10	0		AGAERN
CC(=O)CCCc1ccc(C)c(C)c1	70738845	571749183	/nfs/dbraw/zinc/74/91/83/571749183.db2.gz	PZIFQBZXWAOFQJ-UHFFFAOYSA-N	0	0	190.286	3.215	10	0		AGAERN
C/C=C/[C@H](O)c1ccc2ccccc2c1	13828814	571749221	/nfs/dbraw/zinc/74/92/21/571749221.db2.gz	YSSJQZFPCKJMEN-IWZWCOEHSA-N	0	0	198.265	3.449	10	0		AGAERN
C/C=C/[C@@H](O)c1ccc2ccccc2c1	13828813	571749435	/nfs/dbraw/zinc/74/94/35/571749435.db2.gz	YSSJQZFPCKJMEN-JBQRSBCVSA-N	0	0	198.265	3.449	10	0		AGAERN
C[C@]1(Cl)CCCC=C1Cl	205055422	571749456	/nfs/dbraw/zinc/74/94/56/571749456.db2.gz	QDZCOLDVLRMEPP-ZETCQYMHSA-N	0	0	165.063	3.291	10	0		AGAERN
CCC[C@@H](O)CCC[C@@H](C)CC	70775262	571752140	/nfs/dbraw/zinc/75/21/40/571752140.db2.gz	VMSQHRCTSIBFAA-WDEREUQCSA-N	0	0	172.312	3.364	10	0		AGAERN
CCCC(=O)c1ccsc1C	205065026	571753975	/nfs/dbraw/zinc/75/39/75/571753975.db2.gz	IQGKTQDPQPODEC-UHFFFAOYSA-N	0	0	168.261	3.039	10	0		AGAERN
CCC[C@H](C)[C@]1(O)C[C@@H]2CCCC[C@@H]21	712390541	571752142	/nfs/dbraw/zinc/75/21/42/571752142.db2.gz	SXAGOJXSTJPUKS-ZDEQEGDKSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@H](C)Oc1cccc(C)c1C	233857335	571749868	/nfs/dbraw/zinc/74/98/68/571749868.db2.gz	BANITTZLZUBRMY-SNVBAGLBSA-N	0	0	178.275	3.481	10	0		AGAERN
O[C@]1(CCC2CC2)C[C@@H]2CCCC[C@@H]21	712391420	571749926	/nfs/dbraw/zinc/74/99/26/571749926.db2.gz	RDOOXOXKILPENM-RWMBFGLXSA-N	0	0	194.318	3.118	10	0		AGAERN
CCCc1c[nH]c2ccc(Cl)nc12	205012146	571750815	/nfs/dbraw/zinc/75/08/15/571750815.db2.gz	PBBWIBNGINBDGC-UHFFFAOYSA-N	0	0	194.665	3.169	10	0		AGAERN
CCSc1snc2ccccc12	138828170	571750944	/nfs/dbraw/zinc/75/09/44/571750944.db2.gz	KVMLLTJOOXDMKJ-UHFFFAOYSA-N	0	0	195.312	3.408	10	0		AGAERN
C=C=C(C)[C@@H](O)c1ccc(Cl)cc1	138846155	571750978	/nfs/dbraw/zinc/75/09/78/571750978.db2.gz	UBWYKRUKMHIYDB-LLVKDONJSA-N	0	0	194.661	3.105	10	0		AGAERN
C=Cc1cc2ccccc2cc1O	138827597	571751878	/nfs/dbraw/zinc/75/18/78/571751878.db2.gz	OBJJRQOTZGPZOS-UHFFFAOYSA-N	0	0	170.211	3.188	10	0		AGAERN
COc1cc(C)ccc1C(F)(F)F	205023214	571752045	/nfs/dbraw/zinc/75/20/45/571752045.db2.gz	YGACIAWJBHIRRO-UHFFFAOYSA-N	0	0	190.164	3.022	10	0		AGAERN
CCC[C@H](O)CCC[C@@H](C)CC	70775259	571752115	/nfs/dbraw/zinc/75/21/15/571752115.db2.gz	VMSQHRCTSIBFAA-QWRGUYRKSA-N	0	0	172.312	3.364	10	0		AGAERN
Cc1ccc(CCC[C@@H](C)O)cc1C	70770456	571752195	/nfs/dbraw/zinc/75/21/95/571752195.db2.gz	RUWKVENJDYBDKJ-GFCCVEGCSA-N	0	0	192.302	3.007	10	0		AGAERN
CCCCC[C@@]1(C)CCCC1=O	34996875	571752327	/nfs/dbraw/zinc/75/23/27/571752327.db2.gz	JJKWGCAJCPFUPM-NSHDSACASA-N	0	0	168.280	3.326	10	0		AGAERN
Cc1ccc(C)c(CCC[C@@H](C)O)c1	70770380	571752346	/nfs/dbraw/zinc/75/23/46/571752346.db2.gz	TUUHMIRIYIRNEA-GFCCVEGCSA-N	0	0	192.302	3.007	10	0		AGAERN
CCC[C@@H](O)CCC[C@H](C)CC	70775268	571752448	/nfs/dbraw/zinc/75/24/48/571752448.db2.gz	VMSQHRCTSIBFAA-GHMZBOCLSA-N	0	0	172.312	3.364	10	0		AGAERN
CC1=CCC(C)(C)c2ccc(N)cc21	138822705	571752453	/nfs/dbraw/zinc/75/24/53/571752453.db2.gz	GJUTZPNGEQTLLG-UHFFFAOYSA-N	0	0	187.286	3.353	10	0		AGAERN
CCCCC[C@H]1CCC[C@H](O)C1	70773558	571752467	/nfs/dbraw/zinc/75/24/67/571752467.db2.gz	LLRFGKHTSLUEKW-QWRGUYRKSA-N	0	0	170.296	3.118	10	0		AGAERN
C[C@@H](O)CCCc1cccc(Cl)c1	70770760	571752631	/nfs/dbraw/zinc/75/26/31/571752631.db2.gz	GIEJSSTYENWUBH-SECBINFHSA-N	0	0	198.693	3.044	10	0		AGAERN
Cc1ccc(CCC[C@H](C)O)cc1C	70770460	571752714	/nfs/dbraw/zinc/75/27/14/571752714.db2.gz	RUWKVENJDYBDKJ-LBPRGKRZSA-N	0	0	192.302	3.007	10	0		AGAERN
C[C@@H](O)CCCc1ccccc1Cl	70770266	571752717	/nfs/dbraw/zinc/75/27/17/571752717.db2.gz	PXWONHRUPMLUGM-SECBINFHSA-N	0	0	198.693	3.044	10	0		AGAERN
CC[C@@H]1CCCC[C@H]1CC[C@@H](C)O	70770895	571752753	/nfs/dbraw/zinc/75/27/53/571752753.db2.gz	QTOOLFNKZMHTOH-UTUOFQBUSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@H](C)C[C@H]1CCC[C@H](O)C1	70774662	571752856	/nfs/dbraw/zinc/75/28/56/571752856.db2.gz	IFPMKIIZHTVNMB-TUAOUCFPSA-N	0	0	184.323	3.364	10	0		AGAERN
C/C(=C\C(C)C)c1ccccc1N	141324340	571753121	/nfs/dbraw/zinc/75/31/21/571753121.db2.gz	BLPHHNLBVZYIAN-CSKARUKUSA-N	0	0	175.275	3.328	10	0		AGAERN
Cc1cc(C)cc(CCC[C@H](C)O)c1	70770378	571753122	/nfs/dbraw/zinc/75/31/22/571753122.db2.gz	YXTXANDGVZTNQL-LBPRGKRZSA-N	0	0	192.302	3.007	10	0		AGAERN
CCCCC[C@@H]1CCC[C@@H](O)C1	70773561	571753148	/nfs/dbraw/zinc/75/31/48/571753148.db2.gz	LLRFGKHTSLUEKW-GHMZBOCLSA-N	0	0	170.296	3.118	10	0		AGAERN
CC[C@H]1CCCC[C@@H]1CC[C@@H](C)O	70770893	571753157	/nfs/dbraw/zinc/75/31/57/571753157.db2.gz	QTOOLFNKZMHTOH-GRYCIOLGSA-N	0	0	184.323	3.364	10	0		AGAERN
CCc1ccc(CCC[C@@H](C)O)s1	70770799	571753189	/nfs/dbraw/zinc/75/31/89/571753189.db2.gz	DQWMKANVVCPSAJ-SECBINFHSA-N	0	0	198.331	3.014	10	0		AGAERN
CCCC[C@H](CC)CCCCO	70769899	571753205	/nfs/dbraw/zinc/75/32/05/571753205.db2.gz	VBLPSLZNVSZHNJ-NSHDSACASA-N	0	0	172.312	3.365	10	0	in-vitro	AGAERN
CCCC[C@@H](CC)CCCCO	70769893	571753269	/nfs/dbraw/zinc/75/32/69/571753269.db2.gz	VBLPSLZNVSZHNJ-LLVKDONJSA-N	0	0	172.312	3.365	10	0	in-vitro	AGAERN
CC[C@H]1CCC[C@H](CC[C@@H](C)O)C1	70770470	571753270	/nfs/dbraw/zinc/75/32/70/571753270.db2.gz	WSSLXPCTGWGRPX-GRYCIOLGSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@H](O)CCC[C@H](C)CC	70775265	571753277	/nfs/dbraw/zinc/75/32/77/571753277.db2.gz	VMSQHRCTSIBFAA-MNOVXSKESA-N	0	0	172.312	3.364	10	0		AGAERN
CC[C@H]1CCC[C@@H](CC[C@@H](C)O)C1	70770477	571753285	/nfs/dbraw/zinc/75/32/85/571753285.db2.gz	WSSLXPCTGWGRPX-WOPDTQHZSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@H](C)C[C@@H]1CCC[C@H](O)C1	70774656	571753333	/nfs/dbraw/zinc/75/33/33/571753333.db2.gz	IFPMKIIZHTVNMB-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1ccc(C)c(CCC[C@H](C)O)c1	70770383	571753354	/nfs/dbraw/zinc/75/33/54/571753354.db2.gz	TUUHMIRIYIRNEA-LBPRGKRZSA-N	0	0	192.302	3.007	10	0		AGAERN
Cc1cc(C)cc(CCC[C@@H](C)O)c1	70770375	571753404	/nfs/dbraw/zinc/75/34/04/571753404.db2.gz	YXTXANDGVZTNQL-GFCCVEGCSA-N	0	0	192.302	3.007	10	0		AGAERN
C=C/C(=C\NC(C)=O)CCCCCC	38338925	571753488	/nfs/dbraw/zinc/75/34/88/571753488.db2.gz	DZSPHZDIBSXVLV-ZRDIBKRKSA-N	0	0	195.306	3.163	10	0		AGAERN
CC[C@@H]1CCC[C@@H](CC[C@@H](C)O)C1	70770473	571753560	/nfs/dbraw/zinc/75/35/60/571753560.db2.gz	WSSLXPCTGWGRPX-UTUOFQBUSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@H](O)C[C@H](C)C(F)(F)F	141399745	571753603	/nfs/dbraw/zinc/75/36/03/571753603.db2.gz	PJRZEZIFUNWQMM-YUMQZZPRSA-N	0	0	198.228	3.126	10	0		AGAERN
C[C@@H](O)CCCc1ccc(Cl)cc1	70770756	571753639	/nfs/dbraw/zinc/75/36/39/571753639.db2.gz	HCSPZUVZRLTYJC-SECBINFHSA-N	0	0	198.693	3.044	10	0		AGAERN
C[C@H](O)CCCc1cccc(Cl)c1	70770758	571753655	/nfs/dbraw/zinc/75/36/55/571753655.db2.gz	GIEJSSTYENWUBH-VIFPVBQESA-N	0	0	198.693	3.044	10	0		AGAERN
CC[C@@H](C[C@@]1(C)CC1(F)F)C(C)=O	689340612	571753657	/nfs/dbraw/zinc/75/36/57/571753657.db2.gz	FBIGVERPWROMRI-IUCAKERBSA-N	0	0	190.233	3.037	10	0		AGAERN
C[C@H](O)CCCc1ccc(Cl)cc1	70770753	571753673	/nfs/dbraw/zinc/75/36/73/571753673.db2.gz	HCSPZUVZRLTYJC-VIFPVBQESA-N	0	0	198.693	3.044	10	0		AGAERN
C[C@H]1CC[C@@](O)([C@@H]2CCC[C@@H](C)C2)C1	70765009	571753690	/nfs/dbraw/zinc/75/36/90/571753690.db2.gz	DVALPYSWEFAVGF-XQHKEYJVSA-N	0	0	196.334	3.364	10	0		AGAERN
CCc1ccc(CCC[C@H](C)O)s1	70770803	571753703	/nfs/dbraw/zinc/75/37/03/571753703.db2.gz	DQWMKANVVCPSAJ-VIFPVBQESA-N	0	0	198.331	3.014	10	0		AGAERN
CC[C@H](C[C@]1(C)CC1(F)F)C(C)=O	689340613	571753731	/nfs/dbraw/zinc/75/37/31/571753731.db2.gz	FBIGVERPWROMRI-RKDXNWHRSA-N	0	0	190.233	3.037	10	0		AGAERN
CC[C@@H]1CCC[C@H](CC[C@@H](C)O)C1	70770467	571753770	/nfs/dbraw/zinc/75/37/70/571753770.db2.gz	WSSLXPCTGWGRPX-IJLUTSLNSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1CC[C@@H](C)O	70770886	571754009	/nfs/dbraw/zinc/75/40/09/571754009.db2.gz	QTOOLFNKZMHTOH-IJLUTSLNSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H](O)CCCc1ccccc1Cl	70770261	571754103	/nfs/dbraw/zinc/75/41/03/571754103.db2.gz	PXWONHRUPMLUGM-VIFPVBQESA-N	0	0	198.693	3.044	10	0		AGAERN
CC[C@H]1CCCC[C@H]1CC[C@@H](C)O	70770900	571754233	/nfs/dbraw/zinc/75/42/33/571754233.db2.gz	QTOOLFNKZMHTOH-WOPDTQHZSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H](O)CCCCC(C)(C)C	70777290	571755059	/nfs/dbraw/zinc/75/50/59/571755059.db2.gz	RXNNMIUYSYTPLZ-SNVBAGLBSA-N	0	0	172.312	3.364	10	0		AGAERN
CCCCC[C@H]1CCC[C@@H](O)C1	70773565	571754367	/nfs/dbraw/zinc/75/43/67/571754367.db2.gz	LLRFGKHTSLUEKW-WDEREUQCSA-N	0	0	170.296	3.118	10	0		AGAERN
CC[C@@H](O)CCCc1cccc(C)c1	70777512	571754729	/nfs/dbraw/zinc/75/47/29/571754729.db2.gz	RZSWMODMLVZEMY-CYBMUJFWSA-N	0	0	192.302	3.089	10	0		AGAERN
CC[C@H](O)CCc1cccc(C)c1C	70777269	571755818	/nfs/dbraw/zinc/75/58/18/571755818.db2.gz	VBAIHUGLOJQFMP-ZDUSSCGKSA-N	0	0	192.302	3.007	10	0		AGAERN
CCC[C@@H](C)CCC[C@@H](C)CO	15120220	571758233	/nfs/dbraw/zinc/75/82/33/571758233.db2.gz	VSLQJUZPZRSPIA-GHMZBOCLSA-N	0	0	172.312	3.221	10	0		AGAERN
CC(=O)C/C(C)=C\CC=C(C)C	214435183	571755155	/nfs/dbraw/zinc/75/51/55/571755155.db2.gz	LLPHCJKTUJMQEQ-YFHOEESVSA-N	0	0	166.264	3.268	10	0		AGAERN
CC[C@H](O)CC[C@@H]1CCC[C@H](C)C1	70777001	571755284	/nfs/dbraw/zinc/75/52/84/571755284.db2.gz	SVNHEDYCNSGNIU-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@@H](C)CCC[C@H](O)C1CC1	70779392	571755315	/nfs/dbraw/zinc/75/53/15/571755315.db2.gz	SRVSXGBSNUQKLR-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@@](O)(CC)c1ccccc1	38409892	571755379	/nfs/dbraw/zinc/75/53/79/571755379.db2.gz	DOEISVYWMMTHCD-ZDUSSCGKSA-N	0	0	192.302	3.474	10	0		AGAERN
CCC[C@H](C)CCC[C@@H](O)C1CC1	70779404	571755387	/nfs/dbraw/zinc/75/53/87/571755387.db2.gz	SRVSXGBSNUQKLR-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@H]1CCC[C@@H](CC[C@H](O)C2CC2)C1	70778698	571755398	/nfs/dbraw/zinc/75/53/98/571755398.db2.gz	XOPYBNJGYGTUCV-MDZLAQPJSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC[C@@H](C)CCC[C@@H](O)C1CC1	70779399	571755428	/nfs/dbraw/zinc/75/54/28/571755428.db2.gz	SRVSXGBSNUQKLR-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H](O)CCc1cccc(C)c1C	70777272	571755445	/nfs/dbraw/zinc/75/54/45/571755445.db2.gz	VBAIHUGLOJQFMP-CYBMUJFWSA-N	0	0	192.302	3.007	10	0		AGAERN
CC[C@@H](C[C@]1(C)CC1(F)F)C(C)=O	689340611	571755524	/nfs/dbraw/zinc/75/55/24/571755524.db2.gz	FBIGVERPWROMRI-DTWKUNHWSA-N	0	0	190.233	3.037	10	0		AGAERN
CC[C@H](O)CCCc1cccc(C)c1	70777511	571755637	/nfs/dbraw/zinc/75/56/37/571755637.db2.gz	RZSWMODMLVZEMY-ZDUSSCGKSA-N	0	0	192.302	3.089	10	0		AGAERN
CCCCC[C@H](O)c1ccc(C)o1	38251445	571755728	/nfs/dbraw/zinc/75/57/28/571755728.db2.gz	JLQWTRXOCGXGBL-JTQLQIEISA-N	0	0	182.263	3.202	10	0		AGAERN
CC[C@H](O)CCCc1ccccc1C	70777595	571755783	/nfs/dbraw/zinc/75/57/83/571755783.db2.gz	ZCDCSLSMAGDLSP-ZDUSSCGKSA-N	0	0	192.302	3.089	10	0		AGAERN
CC[C@H](O)CCCCC(C)(C)C	70777286	571755891	/nfs/dbraw/zinc/75/58/91/571755891.db2.gz	RXNNMIUYSYTPLZ-JTQLQIEISA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@@H](C)CCC[C@@H](O)CC	70777614	571755974	/nfs/dbraw/zinc/75/59/74/571755974.db2.gz	RVIQKAWYBPXOQH-MNOVXSKESA-N	0	0	172.312	3.364	10	0		AGAERN
CC[C@H](C)CCC[C@@H](O)C(C)C	70778252	571756025	/nfs/dbraw/zinc/75/60/25/571756025.db2.gz	NVWYDKGRLZEVAY-WDEREUQCSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@@H](O)CCCCc1cccs1	70777295	571756107	/nfs/dbraw/zinc/75/61/07/571756107.db2.gz	QHYQVDUHQMVXFL-SNVBAGLBSA-N	0	0	198.331	3.232	10	0		AGAERN
CC[C@H](C[C@@]1(C)CC1(F)F)C(C)=O	689340610	571756136	/nfs/dbraw/zinc/75/61/36/571756136.db2.gz	FBIGVERPWROMRI-BDAKNGLRSA-N	0	0	190.233	3.037	10	0		AGAERN
CC(C)=CCc1cc(Cl)ccc1N	205064550	571756169	/nfs/dbraw/zinc/75/61/69/571756169.db2.gz	LSKJYNPAZSHYKK-UHFFFAOYSA-N	0	0	195.693	3.431	10	0		AGAERN
CC(C)(C)CCCC[C@H](O)C1CC1	70779034	571756204	/nfs/dbraw/zinc/75/62/04/571756204.db2.gz	PFFQUZGYRGCDQU-NSHDSACASA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@H](C)CCC[C@H](O)CC	70777610	571756208	/nfs/dbraw/zinc/75/62/08/571756208.db2.gz	RVIQKAWYBPXOQH-WDEREUQCSA-N	0	0	172.312	3.364	10	0		AGAERN
CC[C@@H](C)CCC[C@H](O)C(C)C	70778238	571756284	/nfs/dbraw/zinc/75/62/84/571756284.db2.gz	NVWYDKGRLZEVAY-MNOVXSKESA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@@H](C)CCC[C@H](O)CC	70777607	571756289	/nfs/dbraw/zinc/75/62/89/571756289.db2.gz	RVIQKAWYBPXOQH-GHMZBOCLSA-N	0	0	172.312	3.364	10	0		AGAERN
CCc1ccc(C(F)(F)F)s1	205119807	571756348	/nfs/dbraw/zinc/75/63/48/571756348.db2.gz	DZCQZRSQVQEHAU-UHFFFAOYSA-N	0	0	180.194	3.329	10	0		AGAERN
CC[C@H](O)CCCC1CCCC1	70776942	571756456	/nfs/dbraw/zinc/75/64/56/571756456.db2.gz	FMKUBOGNEZTPKH-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
CCCC(=O)[C@@H](CC)CCC	15204812	571756487	/nfs/dbraw/zinc/75/64/87/571756487.db2.gz	JFIPVBXBRGWWJJ-VIFPVBQESA-N	0	0	156.269	3.182	10	0		AGAERN
CC[C@H](O)CCc1ccc(C)cc1C	70777205	571756527	/nfs/dbraw/zinc/75/65/27/571756527.db2.gz	RTPACAKLBXVOHP-ZDUSSCGKSA-N	0	0	192.302	3.007	10	0		AGAERN
C/C=C/c1cc(OC)c2ccccc2n1	14680298	571756600	/nfs/dbraw/zinc/75/66/00/571756600.db2.gz	IMBOAFRTQPDEDJ-ZZXKWVIFSA-N	0	0	199.253	3.277	10	0		AGAERN
CCC[C@H](C)CCC[C@H](O)C1CC1	70779395	571756668	/nfs/dbraw/zinc/75/66/68/571756668.db2.gz	SRVSXGBSNUQKLR-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](O)CCCCc1cccs1	70777293	571756684	/nfs/dbraw/zinc/75/66/84/571756684.db2.gz	QHYQVDUHQMVXFL-JTQLQIEISA-N	0	0	198.331	3.232	10	0		AGAERN
CC(C)(C)CCCC[C@@H](O)C1CC1	70779040	571756689	/nfs/dbraw/zinc/75/66/89/571756689.db2.gz	PFFQUZGYRGCDQU-LLVKDONJSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H](O)CCc1ccc(C)cc1C	70777208	571756698	/nfs/dbraw/zinc/75/66/98/571756698.db2.gz	RTPACAKLBXVOHP-CYBMUJFWSA-N	0	0	192.302	3.007	10	0		AGAERN
CC[C@@H](O)CCCC1CCCC1	70776945	571756706	/nfs/dbraw/zinc/75/67/06/571756706.db2.gz	FMKUBOGNEZTPKH-LLVKDONJSA-N	0	0	170.296	3.118	10	0		AGAERN
CC[C@@H](O)CCCCc1ccsc1	70777349	571756770	/nfs/dbraw/zinc/75/67/70/571756770.db2.gz	TVHCTBSTKOQTTF-LLVKDONJSA-N	0	0	198.331	3.232	10	0		AGAERN
CCC[C@H](C)CCC[C@@H](C)CO	15120221	571756820	/nfs/dbraw/zinc/75/68/20/571756820.db2.gz	VSLQJUZPZRSPIA-WDEREUQCSA-N	0	0	172.312	3.221	10	0		AGAERN
CC(C)CCCC[C@@H](O)C(C)C	70777715	571756881	/nfs/dbraw/zinc/75/68/81/571756881.db2.gz	YNPCRMLIRIKFPH-LLVKDONJSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@@H](O)CCCc1ccccc1C	70777599	571756951	/nfs/dbraw/zinc/75/69/51/571756951.db2.gz	ZCDCSLSMAGDLSP-CYBMUJFWSA-N	0	0	192.302	3.089	10	0		AGAERN
CC[C@H](O)CC[C@H]1CCC[C@H](C)C1	70777005	571757099	/nfs/dbraw/zinc/75/70/99/571757099.db2.gz	SVNHEDYCNSGNIU-TUAOUCFPSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)CCCC[C@H](O)C(C)C	70777709	571757219	/nfs/dbraw/zinc/75/72/19/571757219.db2.gz	YNPCRMLIRIKFPH-NSHDSACASA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@H](O)CCCc1ccc(C)cc1	70777150	571757223	/nfs/dbraw/zinc/75/72/23/571757223.db2.gz	NTOCFDOGZDKIDQ-ZDUSSCGKSA-N	0	0	192.302	3.089	10	0		AGAERN
CC(C)=CCC[C@H](C)/C=C/CCO	15119668	571757226	/nfs/dbraw/zinc/75/72/26/571757226.db2.gz	AAGOQEUDLIZPGA-WNPFHQFXSA-N	0	0	182.307	3.308	10	0		AGAERN
CC[C@H](O)CCCCc1ccsc1	70777346	571757262	/nfs/dbraw/zinc/75/72/62/571757262.db2.gz	TVHCTBSTKOQTTF-NSHDSACASA-N	0	0	198.331	3.232	10	0		AGAERN
CCC[C@H](C)CCC[C@@H](O)CC	70777618	571757275	/nfs/dbraw/zinc/75/72/75/571757275.db2.gz	RVIQKAWYBPXOQH-QWRGUYRKSA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@H](C)CCC[C@H](C)CO	15120223	571757311	/nfs/dbraw/zinc/75/73/11/571757311.db2.gz	VSLQJUZPZRSPIA-QWRGUYRKSA-N	0	0	172.312	3.221	10	0		AGAERN
CC/C=C(\C)C[C@@H](C)C(=O)CC	15120250	571757370	/nfs/dbraw/zinc/75/73/70/571757370.db2.gz	VMIHRSFDMSRUGK-TTZKWOQHSA-N	0	0	168.280	3.348	10	0		AGAERN
CC[C@@H](C)CCC[C@@H](O)C(C)C	70778247	571757377	/nfs/dbraw/zinc/75/73/77/571757377.db2.gz	NVWYDKGRLZEVAY-GHMZBOCLSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@@H](O)CCCc1ccc(C)cc1	70777155	571757434	/nfs/dbraw/zinc/75/74/34/571757434.db2.gz	NTOCFDOGZDKIDQ-CYBMUJFWSA-N	0	0	192.302	3.089	10	0		AGAERN
CC(C)[C@H](C)[C@]1(O)C[C@@H]2CCCC[C@H]21	712419154	571757489	/nfs/dbraw/zinc/75/74/89/571757489.db2.gz	NGSPRDUMVRMFFS-WUHRBBMRSA-N	0	0	196.334	3.220	10	0		AGAERN
C=C/C=C(\C)CC(=O)CC(C)C	15120151	571757734	/nfs/dbraw/zinc/75/77/34/571757734.db2.gz	MLXAHHZSXNMVJF-UXBLZVDNSA-N	0	0	166.264	3.124	10	0		AGAERN
CC[C@@H](C)Nc1cc(F)c(C)cc1F	233861031	571757765	/nfs/dbraw/zinc/75/77/65/571757765.db2.gz	LQLIWZOPJMAJCN-MRVPVSSYSA-N	0	0	199.244	3.484	10	0		AGAERN
CC(C)=CCCC(C)(C)CCO	14822718	571757953	/nfs/dbraw/zinc/75/79/53/571757953.db2.gz	ARPNHVJPUHEFQD-UHFFFAOYSA-N	0	0	170.296	3.141	10	0		AGAERN
CCC/C=C/C=C\C/C=C/CCO	15146210	571758003	/nfs/dbraw/zinc/75/80/03/571758003.db2.gz	KWVQYNPBWXUHHT-WHDSBHAISA-N	0	0	180.291	3.228	10	0		AGAERN
CCCC/C=C/CCC[C@@H](C)O	14825660	571758030	/nfs/dbraw/zinc/75/80/30/571758030.db2.gz	URTNVXMNWNBRFL-XUIVZRPNSA-N	0	0	170.296	3.284	10	0		AGAERN
C/C(=C\CCO)CCCC(C)C	15120246	571758060	/nfs/dbraw/zinc/75/80/60/571758060.db2.gz	OVGULUHJGJLDJI-DHZHZOJOSA-N	0	0	170.296	3.141	10	0		AGAERN
C=Cc1nccc2c1[nH]c1ccccc12	14829561	571758354	/nfs/dbraw/zinc/75/83/54/571758354.db2.gz	LJJLBBOBVWQQES-UHFFFAOYSA-N	0	0	194.237	3.359	10	0		AGAERN
CCCC(=O)[C@H](CC)CCC	15204811	571758557	/nfs/dbraw/zinc/75/85/57/571758557.db2.gz	JFIPVBXBRGWWJJ-SECBINFHSA-N	0	0	156.269	3.182	10	0		AGAERN
CC(C)[C@H](C)[C@]1(O)C[C@@H]2CCCC[C@@H]21	712419161	571758638	/nfs/dbraw/zinc/75/86/38/571758638.db2.gz	NGSPRDUMVRMFFS-ZDEQEGDKSA-N	0	0	196.334	3.220	10	0		AGAERN
CC[C@@H](C)Nc1cc(C)c(O)cc1C	233860815	571758740	/nfs/dbraw/zinc/75/87/40/571758740.db2.gz	WWVYMEVTKVIRTL-SNVBAGLBSA-N	0	0	193.290	3.219	10	0		AGAERN
C[C@H]1CCCc2ccc(Cl)cc2N1	113238702	571758902	/nfs/dbraw/zinc/75/89/02/571758902.db2.gz	LCTSKXIFSNXPIM-QMMMGPOBSA-N	0	0	195.693	3.477	10	0		AGAERN
CC(C)CCCCCCCCC(N)=O	14593909	571759166	/nfs/dbraw/zinc/75/91/66/571759166.db2.gz	QBXUVIKBDIUBIU-UHFFFAOYSA-N	0	0	199.338	3.249	10	0		AGAERN
CC[C@@H](C)[C@H](O)C1(C)CCCCC1	233862473	571759376	/nfs/dbraw/zinc/75/93/76/571759376.db2.gz	LENZBVOUXRNXPT-MNOVXSKESA-N	0	0	184.323	3.364	10	0		AGAERN
OCCC/C=C/c1cccc(Cl)c1	214478804	571759384	/nfs/dbraw/zinc/75/93/84/571759384.db2.gz	HQJJASYHNRSJPN-GORDUTHDSA-N	0	0	196.677	3.126	10	0		AGAERN
CC(C)[C@H](C)[C@]1(O)C[C@H]2CCCC[C@H]21	712419143	571759427	/nfs/dbraw/zinc/75/94/27/571759427.db2.gz	NGSPRDUMVRMFFS-UMSGYPCISA-N	0	0	196.334	3.220	10	0		AGAERN
Cc1ccc2c(c1)[nH]c1cc(O)ccc12	14489317	571759596	/nfs/dbraw/zinc/75/95/96/571759596.db2.gz	APAVSPUPFBJKBT-UHFFFAOYSA-N	0	0	197.237	3.335	10	0		AGAERN
CCCCC/C=C\[C@H](C)CCO	14591091	571759747	/nfs/dbraw/zinc/75/97/47/571759747.db2.gz	JDCKKTBNCHNHRR-TVRMLOFPSA-N	0	0	170.296	3.141	10	0		AGAERN
Cc1ccc2[nH]c3c(O)cccc3c2c1	14489312	571759897	/nfs/dbraw/zinc/75/98/97/571759897.db2.gz	MSADMADZWVQFFH-UHFFFAOYSA-N	0	0	197.237	3.335	10	0		AGAERN
C[C@@H]1CCCc2ccc(Cl)cc2N1	113238700	571759901	/nfs/dbraw/zinc/75/99/01/571759901.db2.gz	LCTSKXIFSNXPIM-MRVPVSSYSA-N	0	0	195.693	3.477	10	0		AGAERN
CCCCC/C=C\[C@@H](C)CCO	14591090	571759945	/nfs/dbraw/zinc/75/99/45/571759945.db2.gz	JDCKKTBNCHNHRR-SKVAFPRGSA-N	0	0	170.296	3.141	10	0		AGAERN
C/C=C\[C@@H](O)C1CCCCCCC1	379361097	571760800	/nfs/dbraw/zinc/76/08/00/571760800.db2.gz	CABLPVOIGDTVSX-YKSRWPRLSA-N	0	0	182.307	3.284	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1ccc(Cl)o1	233865834	571760572	/nfs/dbraw/zinc/76/05/72/571760572.db2.gz	MLRATKGGWBSNLU-MUWHJKNJSA-N	0	0	188.654	3.013	10	0		AGAERN
CCSc1c(F)cccc1C(C)=O	233865578	571760703	/nfs/dbraw/zinc/76/07/03/571760703.db2.gz	JVQDIRQCYMFONA-UHFFFAOYSA-N	0	0	198.262	3.140	10	0		AGAERN
CCCC[C@@H](C)[C@H](O)CC1CCC1	301003255	571761446	/nfs/dbraw/zinc/76/14/46/571761446.db2.gz	YIPBFNBPKLPAES-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1ccoc1Cl	233866056	571761550	/nfs/dbraw/zinc/76/15/50/571761550.db2.gz	JMYOIQYVQNXOCJ-SVRRBLITSA-N	0	0	188.654	3.013	10	0		AGAERN
CC(C)C[C@@H](C)Nc1cccc(N)c1	37264578	571761962	/nfs/dbraw/zinc/76/19/62/571761962.db2.gz	YJUBXTHOYALQIG-SNVBAGLBSA-N	0	0	192.306	3.115	10	0		AGAERN
CC[C@H](C)[C@H](C)[C@@H](C)[C@H](O)CC	142012202	571762533	/nfs/dbraw/zinc/76/25/33/571762533.db2.gz	OUNRQWCCFNKEOA-UKKRHICBSA-N	0	0	172.312	3.076	10	0		AGAERN
CC[C@@H](C)[C@@](C)(O)C1=CCCCC1	233879656	571765091	/nfs/dbraw/zinc/76/50/91/571765091.db2.gz	NXLNPCNSQTUNIA-ZYHUDNBSSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)C[C@H](C)Nc1cccc(N)c1	37264579	571763166	/nfs/dbraw/zinc/76/31/66/571763166.db2.gz	YJUBXTHOYALQIG-JTQLQIEISA-N	0	0	192.306	3.115	10	0		AGAERN
CCCC[C@@H](C)[C@@H](O)CC1CCC1	301003253	571763903	/nfs/dbraw/zinc/76/39/03/571763903.db2.gz	YIPBFNBPKLPAES-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1ccc(N[C@H](C)CC(C)C)nc1	37265075	571764110	/nfs/dbraw/zinc/76/41/10/571764110.db2.gz	DJMWPKGJCBZMBK-LLVKDONJSA-N	0	0	192.306	3.237	10	0		AGAERN
CCCC[C@H](C)[C@@H](O)CC1CCC1	301003251	571764182	/nfs/dbraw/zinc/76/41/82/571764182.db2.gz	YIPBFNBPKLPAES-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
O[C@H](CCC1CCCCC1)C1CC1	71007556	571764962	/nfs/dbraw/zinc/76/49/62/571764962.db2.gz	JKSBBUAQWDSNKS-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(C)(C)CCCC(=O)C1CC1	71002834	571765418	/nfs/dbraw/zinc/76/54/18/571765418.db2.gz	XVSJUSMUJGGJRJ-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCC(=O)CC(C)(C)CC	17672630	571765537	/nfs/dbraw/zinc/76/55/37/571765537.db2.gz	OARGMTDOSGKQOG-UHFFFAOYSA-N	0	0	156.269	3.182	10	0		AGAERN
CCC(C)(C)CCCC(C)=O	17620920	571765555	/nfs/dbraw/zinc/76/55/55/571765555.db2.gz	PEZIUQRYXLIYEK-UHFFFAOYSA-N	0	0	156.269	3.182	10	0		AGAERN
CC(C)c1ccc(-c2cnco2)cc1	145091567	571765642	/nfs/dbraw/zinc/76/56/42/571765642.db2.gz	QJSUIRFOPUGAJN-UHFFFAOYSA-N	0	0	187.242	3.465	10	0		AGAERN
CCC[C@H](C)CCC(=O)C1CC1	71002855	571765798	/nfs/dbraw/zinc/76/57/98/571765798.db2.gz	GHRPXVUHKSWJGQ-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
O[C@@H](CCC1CCCCC1)C1CC1	71007553	571766284	/nfs/dbraw/zinc/76/62/84/571766284.db2.gz	JKSBBUAQWDSNKS-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
CCC[C@@H](C)CCC(=O)C1CC1	71002853	571766599	/nfs/dbraw/zinc/76/65/99/571766599.db2.gz	GHRPXVUHKSWJGQ-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H](O)CC[C@@H](C)CC(C)C	301003023	571767687	/nfs/dbraw/zinc/76/76/87/571767687.db2.gz	XJGHLQWKMSUAFA-GHMZBOCLSA-N	0	0	172.312	3.220	10	0		AGAERN
COc1cc(C)cnc1-c1ccccc1	142165843	571767798	/nfs/dbraw/zinc/76/77/98/571767798.db2.gz	WHSZNCFAMHHZPX-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
C[C@H]1CNc2c(ccc3ccccc23)C1	71049570	571767817	/nfs/dbraw/zinc/76/78/17/571767817.db2.gz	KPZSQGDHYWDXLA-SNVBAGLBSA-N	0	0	197.281	3.444	10	0		AGAERN
CCC[C@H](C)[C@@H](O)[C@@H](C)CC(C)C	301003054	571767825	/nfs/dbraw/zinc/76/78/25/571767825.db2.gz	XKPCHIBCWWMKMA-SDDRHHMPSA-N	0	0	186.339	3.466	10	0		AGAERN
CCC[C@H](C)[C@H](O)[C@H](C)CC(C)C	301003056	571768022	/nfs/dbraw/zinc/76/80/22/571768022.db2.gz	XKPCHIBCWWMKMA-TUAOUCFPSA-N	0	0	186.339	3.466	10	0		AGAERN
C[C@@H](CC[C@@H](C)O)C1CCCCC1	113255206	571768435	/nfs/dbraw/zinc/76/84/35/571768435.db2.gz	GUKSAFUIKDBLMD-WDEREUQCSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@H](O)CC[C@@H](C)C1CCCCC1	113255203	571768826	/nfs/dbraw/zinc/76/88/26/571768826.db2.gz	GUKSAFUIKDBLMD-GHMZBOCLSA-N	0	0	184.323	3.364	10	0		AGAERN
O[C@@H]1CCCCCCCC[C@H]2C[C@H]21	210970138	571769188	/nfs/dbraw/zinc/76/91/88/571769188.db2.gz	CUKVAWSXONZWCG-QJPTWQEYSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(C)(C)CC[C@H](O)c1ccoc1	69946242	571769391	/nfs/dbraw/zinc/76/93/91/571769391.db2.gz	IRLPZQHGWWTBGG-JTQLQIEISA-N	0	0	182.263	3.139	10	0		AGAERN
CCC[C@H](C)[C@H](O)[C@@H](C)CC(C)C	301003055	571769419	/nfs/dbraw/zinc/76/94/19/571769419.db2.gz	XKPCHIBCWWMKMA-SRVKXCTJSA-N	0	0	186.339	3.466	10	0		AGAERN
C[C@@H]1CNc2c(ccc3ccccc23)C1	71049573	571769434	/nfs/dbraw/zinc/76/94/34/571769434.db2.gz	KPZSQGDHYWDXLA-JTQLQIEISA-N	0	0	197.281	3.444	10	0		AGAERN
C/C(=C/C1CCCCCC1)[C@H](C)O	379300275	571769621	/nfs/dbraw/zinc/76/96/21/571769621.db2.gz	KBBYWQNJSSTWGE-JUDLJHIGSA-N	0	0	182.307	3.284	10	0		AGAERN
CC[C@@H](O)CC[C@H](C)CC(C)C	301003025	571769804	/nfs/dbraw/zinc/76/98/04/571769804.db2.gz	XJGHLQWKMSUAFA-WDEREUQCSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCC[C@@H](CC)C/C=C/CO	38644815	571769944	/nfs/dbraw/zinc/76/99/44/571769944.db2.gz	JOUGWEAOYMZAGM-XUIVZRPNSA-N	0	0	170.296	3.141	10	0		AGAERN
C[C@H](O)CC[C@@H](C)C1CCCCC1	113255204	571770171	/nfs/dbraw/zinc/77/01/71/571770171.db2.gz	GUKSAFUIKDBLMD-MNOVXSKESA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H](O)CC[C@H](C)C1CCCCC1	113255207	571770320	/nfs/dbraw/zinc/77/03/20/571770320.db2.gz	GUKSAFUIKDBLMD-QWRGUYRKSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@H](C)[C@@H](O)[C@H](C)CC(C)C	301003053	571770737	/nfs/dbraw/zinc/77/07/37/571770737.db2.gz	XKPCHIBCWWMKMA-QJPTWQEYSA-N	0	0	186.339	3.466	10	0		AGAERN
CC(C)(C)CC[C@@H](O)c1ccoc1	69946244	571771191	/nfs/dbraw/zinc/77/11/91/571771191.db2.gz	IRLPZQHGWWTBGG-SNVBAGLBSA-N	0	0	182.263	3.139	10	0		AGAERN
C[C@@H](CC[C@@H](C)CO)c1ccccc1	142345359	571771718	/nfs/dbraw/zinc/77/17/18/571771718.db2.gz	UXHCJGHCDALECG-NEPJUHHUSA-N	0	0	192.302	3.199	10	0		AGAERN
C/C(=C/c1cc(C)sc1C)[C@H](C)O	379300610	571772492	/nfs/dbraw/zinc/77/24/92/571772492.db2.gz	OIZFMOJZLFSIIN-PGBBXKAQSA-N	0	0	196.315	3.149	10	0		AGAERN
CC(C)C[C@H](C)CC(=O)[C@@H]1C[C@@H]1C	301004821	571772639	/nfs/dbraw/zinc/77/26/39/571772639.db2.gz	XRZKHYAMIJLRJM-GARJFASQSA-N	0	0	182.307	3.284	10	0		AGAERN
C/C(=C/C1CCCCCC1)[C@@H](C)O	379300274	571772640	/nfs/dbraw/zinc/77/26/40/571772640.db2.gz	KBBYWQNJSSTWGE-DWOQACPDSA-N	0	0	182.307	3.284	10	0		AGAERN
C/C=C/CCc1cccc(F)c1F	142422635	571772795	/nfs/dbraw/zinc/77/27/95/571772795.db2.gz	BOODIHPSTCYEPK-NSCUHMNNSA-N	0	0	182.213	3.474	10	0		AGAERN
C/C(=C/c1cc(C)sc1C)[C@@H](C)O	379300612	571772836	/nfs/dbraw/zinc/77/28/36/571772836.db2.gz	OIZFMOJZLFSIIN-WILPJHFFSA-N	0	0	196.315	3.149	10	0		AGAERN
C/C=C\C(F)(F)[C@H](F)C(F)(F)F	142467699	571773117	/nfs/dbraw/zinc/77/31/17/571773117.db2.gz	BBYLPZLEQAXBJE-SWOZAWMQSA-N	0	0	192.102	3.098	10	0		AGAERN
CC[C@H](Nc1ccc(O)cc1)C(C)C	37316814	571773229	/nfs/dbraw/zinc/77/32/29/571773229.db2.gz	TXSMIJJMQQSMQM-LBPRGKRZSA-N	0	0	193.290	3.239	10	0		AGAERN
Cc1ccc(-c2cscn2)cc1C	1520033	571773627	/nfs/dbraw/zinc/77/36/27/571773627.db2.gz	DDCJFNVSCDPQMM-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
CC(C)C[C@H](C)CC(=O)[C@H]1C[C@@H]1C	301004818	571773658	/nfs/dbraw/zinc/77/36/58/571773658.db2.gz	XRZKHYAMIJLRJM-DCAQKATOSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)C[C@H](C)CC(=O)[C@@H]1C[C@H]1C	301004824	571773780	/nfs/dbraw/zinc/77/37/80/571773780.db2.gz	XRZKHYAMIJLRJM-HBNTYKKESA-N	0	0	182.307	3.284	10	0		AGAERN
Cc1ccc(-n2cccc2)c(Cl)c1	1519664	571773886	/nfs/dbraw/zinc/77/38/86/571773886.db2.gz	VKDATGWAEJIAHE-UHFFFAOYSA-N	0	0	191.661	3.439	10	0		AGAERN
CCCCCCNc1cnccc1C	70957262	571773988	/nfs/dbraw/zinc/77/39/88/571773988.db2.gz	QAKKVTSIBGVCFH-UHFFFAOYSA-N	0	0	192.306	3.382	10	0		AGAERN
CCCSCc1c(N)cccc1F	70962241	571774078	/nfs/dbraw/zinc/77/40/78/571774078.db2.gz	WDQPRBGPKAHXOC-UHFFFAOYSA-N	0	0	199.294	3.051	10	0		AGAERN
CC[C@@H](C)[C@](C)(O)C1=CCCCC1	233882391	571774125	/nfs/dbraw/zinc/77/41/25/571774125.db2.gz	NXLNPCNSQTUNIA-PWSUYJOCSA-N	0	0	182.307	3.284	10	0		AGAERN
CC/C(=C\CO)CCC=C(C)C	38949409	571774472	/nfs/dbraw/zinc/77/44/72/571774472.db2.gz	ZLIOZTOLHMSJSE-DHZHZOJOSA-N	0	0	168.280	3.062	10	0		AGAERN
CCC(C)(C)C[C@](C)(O)C(F)(F)F	142772739	571774672	/nfs/dbraw/zinc/77/46/72/571774672.db2.gz	SEGPDVVGYHNJST-QMMMGPOBSA-N	0	0	198.228	3.126	10	0		AGAERN
CC[C@@H](Nc1ccc(O)cc1)C(C)C	37316815	571774735	/nfs/dbraw/zinc/77/47/35/571774735.db2.gz	TXSMIJJMQQSMQM-GFCCVEGCSA-N	0	0	193.290	3.239	10	0		AGAERN
CNC(=S)C[C@@H](C)CCC=C(C)C	39039387	571774866	/nfs/dbraw/zinc/77/48/66/571774866.db2.gz	VEXFWOPCILHNAN-JTQLQIEISA-N	0	0	199.363	3.306	10	0		AGAERN
CCC(C)(C)C[C@@](C)(O)C(F)(F)F	142772559	571775105	/nfs/dbraw/zinc/77/51/05/571775105.db2.gz	SEGPDVVGYHNJST-MRVPVSSYSA-N	0	0	198.228	3.126	10	0		AGAERN
Cc1cncc(Oc2ccccc2)c1	27103822	571775142	/nfs/dbraw/zinc/77/51/42/571775142.db2.gz	JSPLRPPLJGKXEQ-UHFFFAOYSA-N	0	0	185.226	3.182	10	0		AGAERN
Cc1cccc([C@@](C)(O)CC(C)C)c1	37379424	571775163	/nfs/dbraw/zinc/77/51/63/571775163.db2.gz	LNBUZFOUYWWYEC-ZDUSSCGKSA-N	0	0	192.302	3.249	10	0		AGAERN
CC[C@]1(O)CCCC[C@H]1C(C)(C)C	37375816	571775206	/nfs/dbraw/zinc/77/52/06/571775206.db2.gz	TXYGPIUYAFWJQB-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
c1ccc2c(c1)sc1cccn12	1495609	571775215	/nfs/dbraw/zinc/77/52/15/571775215.db2.gz	XUOAXCULCGCUDL-UHFFFAOYSA-N	0	0	173.240	3.154	10	0		AGAERN
CC1CCC(O)(C2CCCC2)CC1	37375524	571775219	/nfs/dbraw/zinc/77/52/19/571775219.db2.gz	GPBTXVBCRVTEQM-UHFFFAOYSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@H](C)CC(=O)c1ccccc1	38890863	571775258	/nfs/dbraw/zinc/77/52/58/571775258.db2.gz	LNVGEESKMXEWAR-JTQLQIEISA-N	0	0	176.259	3.306	10	0		AGAERN
CC(C)[C@@]1(O)C[C@H](C)CC(C)(C)C1	37375543	571775312	/nfs/dbraw/zinc/77/53/12/571775312.db2.gz	MYPPXGVTVMBCMD-ZYHUDNBSSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@@H](C)Sc1cccc(F)c1N	37420667	571775355	/nfs/dbraw/zinc/77/53/55/571775355.db2.gz	JFBGCYIFTMGTBP-SSDOTTSWSA-N	0	0	199.294	3.299	10	0		AGAERN
OCCCCCC[C@@H]1CC1=C1CC1	38996137	571775802	/nfs/dbraw/zinc/77/58/02/571775802.db2.gz	BBFXLWQHCVFMHE-LLVKDONJSA-N	0	0	180.291	3.040	10	0		AGAERN
Cc1cccc(Cc2ccc(O)cc2)c1	38892062	571775970	/nfs/dbraw/zinc/77/59/70/571775970.db2.gz	ADCUQRHSYZUJND-UHFFFAOYSA-N	0	0	198.265	3.291	10	0		AGAERN
C[C@@H]1Nc2ccccc2C=C[C@H]1C	1608366	571776664	/nfs/dbraw/zinc/77/66/64/571776664.db2.gz	FTZPQOCWLKCEJP-ZJUUUORDSA-N	0	0	173.259	3.150	10	0		AGAERN
CCCCC[C@@H](O)/C=C/C(C)C	142760774	571776128	/nfs/dbraw/zinc/77/61/28/571776128.db2.gz	FRLJZELZQSJMJI-ANYFNZRUSA-N	0	0	170.296	3.140	10	0		AGAERN
CC[C@H](C)Sc1cccc(F)c1N	37420670	571776333	/nfs/dbraw/zinc/77/63/33/571776333.db2.gz	JFBGCYIFTMGTBP-ZETCQYMHSA-N	0	0	199.294	3.299	10	0		AGAERN
CC[C@@](C)(CO)C[C@H](C)CC(C)C	301012661	571785163	/nfs/dbraw/zinc/78/51/63/571785163.db2.gz	ZBUNNTACFFVNTG-VXGBXAGGSA-N	0	0	186.339	3.467	10	0		AGAERN
CCCC1(O)CCC(CC)CC1	37375627	571776466	/nfs/dbraw/zinc/77/64/66/571776466.db2.gz	YYFQTUUMDZNPPI-UHFFFAOYSA-N	0	0	170.296	3.118	10	0		AGAERN
CNC(=S)C[C@H](C)CCC=C(C)C	39039388	571776471	/nfs/dbraw/zinc/77/64/71/571776471.db2.gz	VEXFWOPCILHNAN-SNVBAGLBSA-N	0	0	199.363	3.306	10	0		AGAERN
C[C@H]1C=Cc2ccccc2N[C@H]1C	1608365	571776555	/nfs/dbraw/zinc/77/65/55/571776555.db2.gz	FTZPQOCWLKCEJP-UWVGGRQHSA-N	0	0	173.259	3.150	10	0		AGAERN
O[C@H]1CCCC/C1=C\c1ccccc1	1635668	571776608	/nfs/dbraw/zinc/77/66/08/571776608.db2.gz	ZKOAENWVLMOUPM-XSNHNAGMSA-N	0	0	188.270	3.005	10	0		AGAERN
CCC1CCC(O)(CC(C)C)CC1	37375636	571776764	/nfs/dbraw/zinc/77/67/64/571776764.db2.gz	MKJSVOJFBQHSCJ-UHFFFAOYSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@]1(O)CCCC[C@@H]1C(C)(C)C	37375811	571776909	/nfs/dbraw/zinc/77/69/09/571776909.db2.gz	TXYGPIUYAFWJQB-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1ccc(N[C@@H](C)C(C)C)c(N)c1	37401322	571776963	/nfs/dbraw/zinc/77/69/63/571776963.db2.gz	HIXOFFPMULNUBP-JTQLQIEISA-N	0	0	192.306	3.034	10	0		AGAERN
CC(C)C[C@](C)(O)c1ccccc1F	37379550	571777036	/nfs/dbraw/zinc/77/70/36/571777036.db2.gz	ZBIIOYYBKKNLCG-LBPRGKRZSA-N	0	0	196.265	3.079	10	0		AGAERN
COc1cc(F)cc(C(C)(C)C)c1	113263324	571777081	/nfs/dbraw/zinc/77/70/81/571777081.db2.gz	ODLGHEXXKZDXMP-UHFFFAOYSA-N	0	0	182.238	3.132	10	0		AGAERN
CCC(CC)Nc1cccc(F)c1N	37419148	571777094	/nfs/dbraw/zinc/77/70/94/571777094.db2.gz	KUTZOVNFERPDQQ-UHFFFAOYSA-N	0	0	196.269	3.008	10	0		AGAERN
Cc1cccc([C@](C)(O)CC(C)C)c1	37379421	571777123	/nfs/dbraw/zinc/77/71/23/571777123.db2.gz	LNBUZFOUYWWYEC-CYBMUJFWSA-N	0	0	192.302	3.249	10	0		AGAERN
CC(C)[C@]1(O)C[C@H](C)CC(C)(C)C1	37375539	571777130	/nfs/dbraw/zinc/77/71/30/571777130.db2.gz	MYPPXGVTVMBCMD-PWSUYJOCSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@H]1C[C@@H](C)[C@H](C)C[C@H]1C	1598932	571777187	/nfs/dbraw/zinc/77/71/87/571777187.db2.gz	VWWAILZUSKHANH-KYXWUPHJSA-N	0	0	140.270	3.325	10	0		AGAERN
CCCC1CCC(O)(C(C)C)CC1	37375503	571777192	/nfs/dbraw/zinc/77/71/92/571777192.db2.gz	PJGOEBIMSXKILP-UHFFFAOYSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(CC)Nc1ccc(C)cc1N	37401216	571777298	/nfs/dbraw/zinc/77/72/98/571777298.db2.gz	CPJQZPKHNGNFBX-UHFFFAOYSA-N	0	0	192.306	3.178	10	0		AGAERN
Cc1cc(C)c(NC(C)C)c(C)c1N	1597021	571777443	/nfs/dbraw/zinc/77/74/43/571777443.db2.gz	VDUDJVQJRWTHNE-UHFFFAOYSA-N	0	0	192.306	3.014	10	0		AGAERN
C[C@@H]1C=Cc2ccccc2N[C@@H]1C	1608368	571777467	/nfs/dbraw/zinc/77/74/67/571777467.db2.gz	FTZPQOCWLKCEJP-NXEZZACHSA-N	0	0	173.259	3.150	10	0		AGAERN
Cc1ccc(N[C@H](C)C(C)C)c(N)c1	37401323	571777481	/nfs/dbraw/zinc/77/74/81/571777481.db2.gz	HIXOFFPMULNUBP-SNVBAGLBSA-N	0	0	192.306	3.034	10	0		AGAERN
O[C@@H]1CCCC/C1=C\c1ccccc1	1635666	571777548	/nfs/dbraw/zinc/77/75/48/571777548.db2.gz	ZKOAENWVLMOUPM-RSKUSDAESA-N	0	0	188.270	3.005	10	0		AGAERN
CC(C)C[C@@](C)(O)c1ccccc1F	37379553	571777605	/nfs/dbraw/zinc/77/76/05/571777605.db2.gz	ZBIIOYYBKKNLCG-GFCCVEGCSA-N	0	0	196.265	3.079	10	0		AGAERN
CC(C)[C@]1(O)C[C@@H](C)CC(C)(C)C1	37375541	571777696	/nfs/dbraw/zinc/77/76/96/571777696.db2.gz	MYPPXGVTVMBCMD-JQWIXIFHSA-N	0	0	184.323	3.220	10	0		AGAERN
CCCC1CCC(O)(CC)CC1	37375501	571778143	/nfs/dbraw/zinc/77/81/43/571778143.db2.gz	DVALXOQKIDJGGG-UHFFFAOYSA-N	0	0	170.296	3.118	10	0		AGAERN
C[C@H]1C=Cc2ccccc2N[C@@H]1C	1608367	571778463	/nfs/dbraw/zinc/77/84/63/571778463.db2.gz	FTZPQOCWLKCEJP-VHSXEESVSA-N	0	0	173.259	3.150	10	0		AGAERN
CC[C@H](O)[C@@H](C)C[C@H](C)CC(C)C	301008239	571778552	/nfs/dbraw/zinc/77/85/52/571778552.db2.gz	YIBSNDJMHRVSPG-WOPDTQHZSA-N	0	0	186.339	3.466	10	0		AGAERN
CC[C@H]1C[C@H]1n1c(C)ccc1C	234146371	571779401	/nfs/dbraw/zinc/77/94/01/571779401.db2.gz	YSMWWRSFIJPBFP-WDEREUQCSA-N	0	0	163.264	3.076	10	0		AGAERN
CC(C)C[C@H](O)c1cccc(Cl)c1	37464575	571779603	/nfs/dbraw/zinc/77/96/03/571779603.db2.gz	IMIRVYQCTNSVDW-NSHDSACASA-N	0	0	198.693	3.420	10	0		AGAERN
CC(C)C[C@@H](O)c1cccc(Cl)c1	37464577	571779900	/nfs/dbraw/zinc/77/99/00/571779900.db2.gz	IMIRVYQCTNSVDW-LLVKDONJSA-N	0	0	198.693	3.420	10	0		AGAERN
CCCC[C@H](C)c1noc(N)c1CC	301007729	571779969	/nfs/dbraw/zinc/77/99/69/571779969.db2.gz	ZFUOLVHYMKSMPR-QMMMGPOBSA-N	0	0	196.294	3.113	10	0		AGAERN
CCc1ccc(C(=O)[C@@H]2CC2(C)C)o1	234145634	571780417	/nfs/dbraw/zinc/78/04/17/571780417.db2.gz	ZPRYKNXOCSAEKZ-VIFPVBQESA-N	0	0	192.258	3.071	10	0		AGAERN
CCCC[C@@H](C)c1noc(N)c1CC	301007728	571780779	/nfs/dbraw/zinc/78/07/79/571780779.db2.gz	ZFUOLVHYMKSMPR-MRVPVSSYSA-N	0	0	196.294	3.113	10	0		AGAERN
CC[C@H](O)[C@H](C)C[C@H](C)CC(C)C	301008238	571780835	/nfs/dbraw/zinc/78/08/35/571780835.db2.gz	YIBSNDJMHRVSPG-UTUOFQBUSA-N	0	0	186.339	3.466	10	0		AGAERN
CC1=C(C)[C@@](C)(Cl)[C@]1(C)Cl	1714892	571783314	/nfs/dbraw/zinc/78/33/14/571783314.db2.gz	QJHFTVCGJZFLCW-HTQZYQBOSA-N	0	0	179.090	3.331	10	0		AGAERN
Cc1cccc([C@H](O)CC(C)C)c1	37465307	571780988	/nfs/dbraw/zinc/78/09/88/571780988.db2.gz	PDWFANLREIVKOO-GFCCVEGCSA-N	0	0	178.275	3.075	10	0		AGAERN
CC(C)SCCCC(=O)C(C)C	142879083	571781665	/nfs/dbraw/zinc/78/16/65/571781665.db2.gz	DEBRFOHHPJDMCQ-UHFFFAOYSA-N	0	0	188.336	3.133	10	0		AGAERN
CC(=O)CC(C)(C)CC1=CCCC1	401091714	571781982	/nfs/dbraw/zinc/78/19/82/571781982.db2.gz	WDAOGYAFHVHGFL-UHFFFAOYSA-N	0	0	180.291	3.492	10	0		AGAERN
Cc1c(O)ccc(C(C)C)c1C	140122300	571782021	/nfs/dbraw/zinc/78/20/21/571782021.db2.gz	CSXUXXZAYYNXHA-UHFFFAOYSA-N	0	0	164.248	3.132	10	0		AGAERN
CC(C)C[C@H](C)/C=C(/CO)C(C)C	301010058	571782344	/nfs/dbraw/zinc/78/23/44/571782344.db2.gz	YPPCTKCXNIPTEU-ZWIPKHHJSA-N	0	0	184.323	3.243	10	0		AGAERN
CCc1ccc(C(=O)[C@H]2CC2(C)C)o1	234148784	571782769	/nfs/dbraw/zinc/78/27/69/571782769.db2.gz	ZPRYKNXOCSAEKZ-SECBINFHSA-N	0	0	192.258	3.071	10	0		AGAERN
c1ccc2c3csccc-3nc2c1	1754851	571783160	/nfs/dbraw/zinc/78/31/60/571783160.db2.gz	PSXMFTWFQLWQNG-UHFFFAOYSA-N	0	0	185.251	3.401	10	0		AGAERN
CC(=O)c1c(C)cc(C)cc1C	100221209	571783268	/nfs/dbraw/zinc/78/32/68/571783268.db2.gz	NFZHCZLKXDNPEI-UHFFFAOYSA-N	0	0	162.232	3.141	10	0		AGAERN
C[C@@H]1CC(C)(C)c2ccccc21	1747464	571783289	/nfs/dbraw/zinc/78/32/89/571783289.db2.gz	CPLBLNGVYBSVPU-SECBINFHSA-N	0	0	160.260	3.471	10	0		AGAERN
CC(C)C[C@@H](C)/C=C(/CO)C(C)C	301010057	571783429	/nfs/dbraw/zinc/78/34/29/571783429.db2.gz	YPPCTKCXNIPTEU-HBZGRHIISA-N	0	0	184.323	3.243	10	0		AGAERN
CCCCCc1c(C)noc1C	39113268	571783469	/nfs/dbraw/zinc/78/34/69/571783469.db2.gz	SSVCSNWFKKQQRP-UHFFFAOYSA-N	0	0	167.252	3.024	10	0		AGAERN
CCCC[C@H](C)C(=O)CCSC	301009830	571783584	/nfs/dbraw/zinc/78/35/84/571783584.db2.gz	ZRNYNBOYGHKBAE-VIFPVBQESA-N	0	0	188.336	3.135	10	0		AGAERN
c1ccc(-c2cccc3c[nH]nc23)cc1	169073146	571783662	/nfs/dbraw/zinc/78/36/62/571783662.db2.gz	UJIXVUOVVGDZGA-UHFFFAOYSA-N	0	0	194.237	3.230	10	0		AGAERN
CC[C@@H]([NH2+]C)c1c(C)cc(C)cc1F	233894488	571783818	/nfs/dbraw/zinc/78/38/18/571783818.db2.gz	KALKFVABERLRRH-LLVKDONJSA-N	0	0	195.281	3.113	10	0		AGAERN
C/C=C(\C)C(=O)O[C@H](C)CCCC	143097032	571783921	/nfs/dbraw/zinc/78/39/21/571783921.db2.gz	PLFAXMZOTWDECF-OLKPEBQYSA-N	0	0	184.279	3.075	10	0		AGAERN
CCOc1c(C)c(C)c(O)c(C)c1C	1765152	571783941	/nfs/dbraw/zinc/78/39/41/571783941.db2.gz	JPPRYQPIFSMAHB-UHFFFAOYSA-N	0	0	194.274	3.025	10	0		AGAERN
Cc1nc2c(C)cccc2c2c1CCC2	39112621	571784138	/nfs/dbraw/zinc/78/41/38/571784138.db2.gz	VDRKZKVVVDCPEX-UHFFFAOYSA-N	0	0	197.281	3.340	10	0		AGAERN
c1ccc2c(c1)Cc1ccsc1C2	1763583	571784149	/nfs/dbraw/zinc/78/41/49/571784149.db2.gz	HPQKAEDCRFAPFP-UHFFFAOYSA-N	0	0	186.279	3.243	10	0		AGAERN
CC(C)C[C@H](C)c1nc(C=O)cs1	301012112	571784258	/nfs/dbraw/zinc/78/42/58/571784258.db2.gz	YYJJVAAEFOOJAY-QMMMGPOBSA-N	0	0	197.303	3.105	10	0		AGAERN
CC(C)C[C@H](C)C[C@H](O)[C@@H]1C[C@H]1C	301013729	571784275	/nfs/dbraw/zinc/78/42/75/571784275.db2.gz	ZEQZHYAGZMSNIG-QCNOEVLYSA-N	0	0	184.323	3.076	10	0		AGAERN
CCCCCCC1CC1	1765367	571784327	/nfs/dbraw/zinc/78/43/27/571784327.db2.gz	AOJZSYZUFZULLN-UHFFFAOYSA-N	0	0	126.243	3.367	10	0		AGAERN
CC(C)C[C@@H](C)c1nc(C=O)cs1	301012111	571784427	/nfs/dbraw/zinc/78/44/27/571784427.db2.gz	YYJJVAAEFOOJAY-MRVPVSSYSA-N	0	0	197.303	3.105	10	0		AGAERN
CC[C@](C)(CO)C[C@@H](C)CC(C)C	301012660	571784437	/nfs/dbraw/zinc/78/44/37/571784437.db2.gz	ZBUNNTACFFVNTG-RYUDHWBXSA-N	0	0	186.339	3.467	10	0		AGAERN
CC(C)[C@@]1(O)CC(C)(C)CC[C@@H]1C	713012931	571784460	/nfs/dbraw/zinc/78/44/60/571784460.db2.gz	LWKDEKZJEWJRHE-JQWIXIFHSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H]1C[C@@H]1n1c(C)ccc1C	234161569	571784535	/nfs/dbraw/zinc/78/45/35/571784535.db2.gz	YSMWWRSFIJPBFP-QWRGUYRKSA-N	0	0	163.264	3.076	10	0		AGAERN
CC(C)[C@]1(O)CC(C)(C)CC[C@@H]1C	713012928	571784542	/nfs/dbraw/zinc/78/45/42/571784542.db2.gz	LWKDEKZJEWJRHE-CMPLNLGQSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H](F)[C@H](F)Cc1ccccc1	143024149	571784612	/nfs/dbraw/zinc/78/46/12/571784612.db2.gz	XNLVSTAEFNAWJK-WDEREUQCSA-N	0	0	184.229	3.315	10	0		AGAERN
CC(C)[C@]1(O)CC(C)(C)CC[C@H]1C	713012937	571784725	/nfs/dbraw/zinc/78/47/25/571784725.db2.gz	LWKDEKZJEWJRHE-ZYHUDNBSSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(=O)OC(C)(C)CCC1CCCC1	39112675	571784758	/nfs/dbraw/zinc/78/47/58/571784758.db2.gz	AZQDQQRNAGQKMB-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
CC(C)C[C@@H](C)CC1(CO)CCC1	301014244	571784869	/nfs/dbraw/zinc/78/48/69/571784869.db2.gz	ZHGWDXDVERJUJI-LLVKDONJSA-N	0	0	184.323	3.221	10	0		AGAERN
CC1=C(C)[C@](C)(Cl)[C@@]1(C)Cl	1714891	571785000	/nfs/dbraw/zinc/78/50/00/571785000.db2.gz	QJHFTVCGJZFLCW-YUMQZZPRSA-N	0	0	179.090	3.331	10	0		AGAERN
CC1(C)CC[C@]2(C)CCCC[C@@H]2[C@H]1O	1730043	571785011	/nfs/dbraw/zinc/78/50/11/571785011.db2.gz	TWAKZSCHVDAMDF-WZRBSPASSA-N	0	0	196.334	3.364	10	0		AGAERN
O[C@H](c1cccc2ccccc12)C1CC1	39149083	571785460	/nfs/dbraw/zinc/78/54/60/571785460.db2.gz	KXIMJLZBKMYPOT-AWEZNQCLSA-N	0	0	198.265	3.283	10	0		AGAERN
CC/C=C\c1cc(OC)cc(OC)c1	200010648	571788048	/nfs/dbraw/zinc/78/80/48/571788048.db2.gz	SIDLTZPTUXQRAZ-WAYWQWQTSA-N	0	0	192.258	3.127	10	0		AGAERN
CC[C@](C)(CO)C[C@H](C)CC(C)C	301012658	571785479	/nfs/dbraw/zinc/78/54/79/571785479.db2.gz	ZBUNNTACFFVNTG-NEPJUHHUSA-N	0	0	186.339	3.467	10	0		AGAERN
CC(C)[C@@]1(O)CC(C)(C)CC[C@H]1C	713012934	571785483	/nfs/dbraw/zinc/78/54/83/571785483.db2.gz	LWKDEKZJEWJRHE-PWSUYJOCSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@H](C)C[C@H](O)[C@@H]1C[C@@H]1C	301013731	571785977	/nfs/dbraw/zinc/78/59/77/571785977.db2.gz	ZEQZHYAGZMSNIG-YFKTTZPYSA-N	0	0	184.323	3.076	10	0		AGAERN
Cc1cccc(C2CCCC2)c1O	1995278	571786162	/nfs/dbraw/zinc/78/61/62/571786162.db2.gz	DYQPZDLXQPYGSU-UHFFFAOYSA-N	0	0	176.259	3.358	10	0		AGAERN
CC[C@@](C)(CO)C[C@@H](C)CC(C)C	301012659	571786308	/nfs/dbraw/zinc/78/63/08/571786308.db2.gz	ZBUNNTACFFVNTG-NWDGAFQWSA-N	0	0	186.339	3.467	10	0		AGAERN
CC[C@@H](C)c1cc(F)ccc1O	140197745	571786489	/nfs/dbraw/zinc/78/64/89/571786489.db2.gz	JOKFBACQOYTVMU-SSDOTTSWSA-N	0	0	168.211	3.045	10	0		AGAERN
C=CSc1c[nH]c2ccccc12	1842301	571787530	/nfs/dbraw/zinc/78/75/30/571787530.db2.gz	GGHNHDGOUIQIIP-UHFFFAOYSA-N	0	0	175.256	3.404	10	0		AGAERN
CC(C)C[C@H](C)CC1(CO)CCC1	301014246	571786605	/nfs/dbraw/zinc/78/66/05/571786605.db2.gz	ZHGWDXDVERJUJI-NSHDSACASA-N	0	0	184.323	3.221	10	0		AGAERN
CCc1occc1C(=O)C1CCCC1	234164589	571786656	/nfs/dbraw/zinc/78/66/56/571786656.db2.gz	MGKRFHWAYYQHJV-UHFFFAOYSA-N	0	0	192.258	3.215	10	0		AGAERN
CC(C)C[C@H](C)C[C@H](O)[C@H]1C[C@@H]1C	301013728	571786666	/nfs/dbraw/zinc/78/66/66/571786666.db2.gz	ZEQZHYAGZMSNIG-BJDJZHNGSA-N	0	0	184.323	3.076	10	0		AGAERN
CCC(=O)[C@@H]1CCC(C)=C(C)C1	140165544	571786813	/nfs/dbraw/zinc/78/68/13/571786813.db2.gz	BSDJPKUVYABDJR-SNVBAGLBSA-N	0	0	166.264	3.102	10	0		AGAERN
CC(C)C[C@H](C)C[C@H](O)[C@H]1C[C@H]1C	301013730	571786843	/nfs/dbraw/zinc/78/68/43/571786843.db2.gz	ZEQZHYAGZMSNIG-USZNOCQGSA-N	0	0	184.323	3.076	10	0		AGAERN
Cc1cc2c(cn1)[nH]c1ccccc12	27522843	571786950	/nfs/dbraw/zinc/78/69/50/571786950.db2.gz	XOHBPUCYRSORIZ-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
Cl/C=C/CC/C=C/Cl	1843766	571787320	/nfs/dbraw/zinc/78/73/20/571787320.db2.gz	KZSQSHDPERNPBZ-GGWOSOGESA-N	0	0	151.036	3.272	10	0		AGAERN
CC(C)=CC1SCCCS1	140180961	571787420	/nfs/dbraw/zinc/78/74/20/571787420.db2.gz	VYKNUZFTUOHQPQ-UHFFFAOYSA-N	0	0	174.334	3.149	10	0		AGAERN
CC/C=C(/CC)[C@H](O)c1ccco1	39147963	571787709	/nfs/dbraw/zinc/78/77/09/571787709.db2.gz	YAMUWEAJBFMGMH-WDDYJBPVSA-N	0	0	180.247	3.059	10	0		AGAERN
C[C@H](O)CC[C@@H](C)CC(C)(C)C	143199600	571787748	/nfs/dbraw/zinc/78/77/48/571787748.db2.gz	HJDYAZHFBAUEKT-ZJUUUORDSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCc1ccccc1C	1849987	571787805	/nfs/dbraw/zinc/78/78/05/571787805.db2.gz	NUJILYKLNKQOOX-UHFFFAOYSA-N	0	0	148.249	3.338	10	0		AGAERN
OCCCCCCCCCCF	2040785	571790234	/nfs/dbraw/zinc/79/02/34/571790234.db2.gz	MEGBNFNBKNPNQO-UHFFFAOYSA-N	0	0	176.275	3.069	10	0		AGAERN
CCCCCCn1cccc1	39219775	571790833	/nfs/dbraw/zinc/79/08/33/571790833.db2.gz	TWNRLKOVDHZJIU-UHFFFAOYSA-N	0	0	151.253	3.068	10	0		AGAERN
CC/C=C(/CC)[C@@H](O)c1ccco1	39147964	571788291	/nfs/dbraw/zinc/78/82/91/571788291.db2.gz	YAMUWEAJBFMGMH-DHHDDZJSSA-N	0	0	180.247	3.059	10	0		AGAERN
CC(C)=Cc1c[nH]c(C(=O)C(C)C)c1	140120119	571788351	/nfs/dbraw/zinc/78/83/51/571788351.db2.gz	UNXNJJIURGFXMD-UHFFFAOYSA-N	0	0	191.274	3.277	10	0		AGAERN
CCCCCC[C@H]1CCC[C@@H]1O	39147778	571788383	/nfs/dbraw/zinc/78/83/83/571788383.db2.gz	CLWLVNYKXTVNCD-QWRGUYRKSA-N	0	0	170.296	3.118	10	0		AGAERN
Cc1cccc(NC(C)(C)C)c1	2006369	571788452	/nfs/dbraw/zinc/78/84/52/571788452.db2.gz	HSWVXQUVZGSPNW-UHFFFAOYSA-N	0	0	163.264	3.205	10	0		AGAERN
CCC[C@@]1(C)SC[C@@H](C)S1	2021182	571788530	/nfs/dbraw/zinc/78/85/30/571788530.db2.gz	OHERLQGXFAEJFW-SFYZADRCSA-N	0	0	176.350	3.371	10	0		AGAERN
Cc1cc(N=O)c(C(C)C)cc1O	37625874	571788646	/nfs/dbraw/zinc/78/86/46/571788646.db2.gz	MLOSYSBSANNXEA-UHFFFAOYSA-N	0	0	179.219	3.222	10	0		AGAERN
CCc1cccc(CC)c1C	2013418	571788663	/nfs/dbraw/zinc/78/86/63/571788663.db2.gz	XZZNTLNFQVAKFD-UHFFFAOYSA-N	0	0	148.249	3.120	10	0		AGAERN
C[C@H]1CCCC2(C1)SCCS2	2017973	571788716	/nfs/dbraw/zinc/78/87/16/571788716.db2.gz	DRMWUPZSFHATQE-QMMMGPOBSA-N	0	0	188.361	3.373	10	0		AGAERN
c1ccc(-c2noc3ccccc23)cc1	39220436	571788900	/nfs/dbraw/zinc/78/89/00/571788900.db2.gz	POCCWZYCZJRTQM-UHFFFAOYSA-N	0	0	195.221	3.495	10	0		AGAERN
Cc1ccc2c(c1)[C@@H](C)CC2	2018195	571788985	/nfs/dbraw/zinc/78/89/85/571788985.db2.gz	UVRVNMDNGVIBGM-VIFPVBQESA-N	0	0	146.233	3.045	10	0		AGAERN
CCSc1ccc(CC)s1	37625627	571789016	/nfs/dbraw/zinc/78/90/16/571789016.db2.gz	WJAKCFYEAJXITQ-UHFFFAOYSA-N	0	0	172.318	3.423	10	0		AGAERN
CCc1[nH]c(CC)c(CC)c1C	37624102	571789180	/nfs/dbraw/zinc/78/91/80/571789180.db2.gz	LQPGZDHRYOHQET-UHFFFAOYSA-N	0	0	165.280	3.010	10	0		AGAERN
CSc1ccc(SC)c(C)c1	37627727	571789193	/nfs/dbraw/zinc/78/91/93/571789193.db2.gz	KGDFWSMUVNDTRK-UHFFFAOYSA-N	0	0	184.329	3.439	10	0		AGAERN
CC(Cl)(Cl)C(C)(Cl)Cl	2019148	571789258	/nfs/dbraw/zinc/78/92/58/571789258.db2.gz	WSPZFVOCHITLIY-UHFFFAOYSA-N	0	0	195.904	3.374	10	0		AGAERN
C/C(=C\CO)c1cccc(C(C)C)c1	140229740	571789338	/nfs/dbraw/zinc/78/93/38/571789338.db2.gz	OYNCNTZYYVUPKP-YRNVUSSQSA-N	0	0	190.286	3.206	10	0		AGAERN
C[C@H]1CC(C)(C)c2ccccc21	2036003	571789364	/nfs/dbraw/zinc/78/93/64/571789364.db2.gz	CPLBLNGVYBSVPU-VIFPVBQESA-N	0	0	160.260	3.471	10	0		AGAERN
C[C@@H]1CCCC2(C1)SCCS2	2017974	571789428	/nfs/dbraw/zinc/78/94/28/571789428.db2.gz	DRMWUPZSFHATQE-MRVPVSSYSA-N	0	0	188.361	3.373	10	0		AGAERN
Cl/C=C/S/C=C/Cl	37628834	571789441	/nfs/dbraw/zinc/78/94/41/571789441.db2.gz	WGOUMKIUCDHRRV-ZPUQHVIOSA-N	0	0	155.049	3.140	10	0		AGAERN
CC(C)(C)C1CCC(=CCO)CC1	140202650	571789576	/nfs/dbraw/zinc/78/95/76/571789576.db2.gz	DDWUQPKPYCEPRN-UHFFFAOYSA-N	0	0	182.307	3.141	10	0		AGAERN
Cc1cc(-c2ccccc2)c(C)[nH]1	37624129	571789580	/nfs/dbraw/zinc/78/95/80/571789580.db2.gz	WFTAVFQPIMSRIV-UHFFFAOYSA-N	0	0	171.243	3.299	10	0		AGAERN
CCCCc1cc(Cl)ccc1O	2016890	571789677	/nfs/dbraw/zinc/78/96/77/571789677.db2.gz	COSYXLHTXXMVGM-UHFFFAOYSA-N	0	0	184.666	3.388	10	0		AGAERN
CC[C@H]1CCCC1(C)C	2003133	571789711	/nfs/dbraw/zinc/78/97/11/571789711.db2.gz	RXPIHZJWAFCHEJ-QMMMGPOBSA-N	0	0	126.243	3.223	10	0		AGAERN
CC[C@@H]1CCCC1(C)C	2003135	571789731	/nfs/dbraw/zinc/78/97/31/571789731.db2.gz	RXPIHZJWAFCHEJ-MRVPVSSYSA-N	0	0	126.243	3.223	10	0		AGAERN
CCC[C@@]1(C)SC[C@H](C)S1	2021184	571789841	/nfs/dbraw/zinc/78/98/41/571789841.db2.gz	OHERLQGXFAEJFW-YUMQZZPRSA-N	0	0	176.350	3.371	10	0		AGAERN
CCC[C@]1(C)SC[C@@H](C)S1	2021183	571789886	/nfs/dbraw/zinc/78/98/86/571789886.db2.gz	OHERLQGXFAEJFW-HTQZYQBOSA-N	0	0	176.350	3.371	10	0		AGAERN
CCCCc1cccc(C)c1	2039418	571790024	/nfs/dbraw/zinc/79/00/24/571790024.db2.gz	OAPCPUDMDJIBOQ-UHFFFAOYSA-N	0	0	148.249	3.338	10	0		AGAERN
CC(C)[C@@H](C)C(=O)[C@H](C)C(C)C	39245289	571790178	/nfs/dbraw/zinc/79/01/78/571790178.db2.gz	ZBMSFKXADBICML-NXEZZACHSA-N	0	0	170.296	3.140	10	0		AGAERN
CC[C@H]1CCC[C@@H]([C@@H]2CC[C@@H](O)C2)C1	227229457	571790298	/nfs/dbraw/zinc/79/02/98/571790298.db2.gz	ABCVRZHYLAXUML-UMSGYPCISA-N	0	0	196.334	3.364	10	0		AGAERN
C=C(Cl)/C(Cl)=C/Cl	2003381	571790316	/nfs/dbraw/zinc/79/03/16/571790316.db2.gz	MESXUXRSZSSKIO-RQOWECAXSA-N	0	0	157.427	3.058	10	0		AGAERN
Cc1ccc2c(C)ccc(C)c2c1O	2009994	571790441	/nfs/dbraw/zinc/79/04/41/571790441.db2.gz	AZPMPNRMONDTQN-UHFFFAOYSA-N	0	0	186.254	3.471	10	0		AGAERN
CCC[C@]1(C)SC[C@H](C)S1	2021185	571790473	/nfs/dbraw/zinc/79/04/73/571790473.db2.gz	OHERLQGXFAEJFW-JGVFFNPUSA-N	0	0	176.350	3.371	10	0		AGAERN
CCC(CC)C(C)(C)C	2018304	571790725	/nfs/dbraw/zinc/79/07/25/571790725.db2.gz	CLZCPQKGOAXOJT-UHFFFAOYSA-N	0	0	128.259	3.469	10	0		AGAERN
CC[C@@H]1CCC[C@@H]([C@@H]2CC[C@@H](O)C2)C1	227229453	571791088	/nfs/dbraw/zinc/79/10/88/571791088.db2.gz	ABCVRZHYLAXUML-FDYHWXHSSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1=C(C)C[C@H]2CCCC(=O)[C@H]2C1	140211487	571791107	/nfs/dbraw/zinc/79/11/07/571791107.db2.gz	AEIPEOCAJQLDDB-MNOVXSKESA-N	0	0	178.275	3.102	10	0		AGAERN
CCCC[C@@](O)(CC)CCC	39218381	571791284	/nfs/dbraw/zinc/79/12/84/571791284.db2.gz	OYBUBRUQIKTRET-SNVBAGLBSA-N	0	0	158.285	3.118	10	0		AGAERN
CCCCCC/C(C)=C/CCO	39224697	571791309	/nfs/dbraw/zinc/79/13/09/571791309.db2.gz	MCSCOLZRRLKASB-PKNBQFBNSA-N	0	0	170.296	3.286	10	0		AGAERN
C/C=C/[C@@H](C)c1cc(F)c(F)cc1N	140215452	571791340	/nfs/dbraw/zinc/79/13/40/571791340.db2.gz	SBGSUUNFMKGQAR-KGGZQZJCSA-N	0	0	197.228	3.227	10	0		AGAERN
OC1CC[C@@H]2CCCCC[C@H]2CC1	37634298	571791345	/nfs/dbraw/zinc/79/13/45/571791345.db2.gz	UEHDVZPMCXIGJZ-QWRGUYRKSA-N	0	0	182.307	3.118	10	0		AGAERN
C=C(c1ccccc1)c1ccccc1O	39208732	571791348	/nfs/dbraw/zinc/79/13/48/571791348.db2.gz	QYPBOXRMLFPDEQ-UHFFFAOYSA-N	0	0	196.249	3.454	10	0		AGAERN
c1ccc2c(c1)ccc1cccn12	37637313	571791725	/nfs/dbraw/zinc/79/17/25/571791725.db2.gz	XLIQPEZVRBALDD-UHFFFAOYSA-N	0	0	167.211	3.093	10	0		AGAERN
CC(C)[C@H]1C[C@@H](C)n2cccc21	37633401	571791414	/nfs/dbraw/zinc/79/14/14/571791414.db2.gz	LURCNTBNORLRLA-NXEZZACHSA-N	0	0	163.264	3.192	10	0		AGAERN
CC1=CC[C@]2(C)CCCC(=O)[C@]12C	140211642	571791430	/nfs/dbraw/zinc/79/14/30/571791430.db2.gz	ZGSVUQHRAGQAHJ-RYUDHWBXSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)[C@@H]1C[C@H](C)n2cccc21	37633407	571791670	/nfs/dbraw/zinc/79/16/70/571791670.db2.gz	LURCNTBNORLRLA-UWVGGRQHSA-N	0	0	163.264	3.192	10	0		AGAERN
CC(C)[C@@H]1C[C@@H](C)n2cccc21	37633405	571792306	/nfs/dbraw/zinc/79/23/06/571792306.db2.gz	LURCNTBNORLRLA-ZJUUUORDSA-N	0	0	163.264	3.192	10	0		AGAERN
CCSCc1c[nH]c2ccccc12	37632748	571792373	/nfs/dbraw/zinc/79/23/73/571792373.db2.gz	SUSKDKNZJKQYSR-UHFFFAOYSA-N	0	0	191.299	3.421	10	0		AGAERN
CC(C)[C@H]1C[C@H](C)n2cccc21	37633403	571793212	/nfs/dbraw/zinc/79/32/12/571793212.db2.gz	LURCNTBNORLRLA-VHSXEESVSA-N	0	0	163.264	3.192	10	0		AGAERN
c1ccc2c(c1)SN(C1CC1)S2	27653047	571793256	/nfs/dbraw/zinc/79/32/56/571793256.db2.gz	SXROMADKRRRNLL-UHFFFAOYSA-N	0	0	195.312	3.179	10	0		AGAERN
CC1=CC(=C(C)C)CCC1	86034071	571793909	/nfs/dbraw/zinc/79/39/09/571793909.db2.gz	BXZMJUJBUSHRMV-UHFFFAOYSA-N	0	0	136.238	3.453	10	0	endogenous,in-man	AGAERN
CC[C@@H](C)Sc1cccc(N)c1	37668167	571794218	/nfs/dbraw/zinc/79/42/18/571794218.db2.gz	QARVSNRNAMJKGU-MRVPVSSYSA-N	0	0	181.304	3.159	10	0		AGAERN
C[C@@H](C(=O)C(C)(C)C)C(C)(C)C	116888525	571796444	/nfs/dbraw/zinc/79/64/44/571796444.db2.gz	SGMXJDXUIPKUSN-QMMMGPOBSA-N	0	0	170.296	3.284	10	0		AGAERN
CC[C@@](O)(c1cccc(C)c1)C(C)C	37755301	571797552	/nfs/dbraw/zinc/79/75/52/571797552.db2.gz	OKXLWZBDKZQWTI-ZDUSSCGKSA-N	0	0	192.302	3.249	10	0		AGAERN
Fc1ccc2cncc(Cl)c2c1	116892493	571797858	/nfs/dbraw/zinc/79/78/58/571797858.db2.gz	UORWTZYYTNAMNF-UHFFFAOYSA-N	0	0	181.597	3.027	10	0		AGAERN
CC[C@H](C)[C@@](C)(O)c1cccc(F)c1	37745661	571797908	/nfs/dbraw/zinc/79/79/08/571797908.db2.gz	UVYBFHIBDPGQCY-JOYOIKCWSA-N	0	0	196.265	3.079	10	0		AGAERN
Cc1cc(C)cc([C@H](O)CC(C)C)c1	37746050	571797943	/nfs/dbraw/zinc/79/79/43/571797943.db2.gz	CWJCIDIQIVKYNB-CYBMUJFWSA-N	0	0	192.302	3.383	10	0		AGAERN
CC[C@](O)(c1cccc(F)c1)C(C)C	37755310	571797977	/nfs/dbraw/zinc/79/79/77/571797977.db2.gz	KXOGPGKJXWJZGO-GFCCVEGCSA-N	0	0	196.265	3.079	10	0		AGAERN
CC[C@H](C)[C@@](C)(O)c1ccc(F)cc1	37745657	571798379	/nfs/dbraw/zinc/79/83/79/571798379.db2.gz	BEUFUCSUMZCIPK-JOYOIKCWSA-N	0	0	196.265	3.079	10	0		AGAERN
CC[C@H](C)[C@](C)(O)c1ccc(F)cc1	37745655	571798615	/nfs/dbraw/zinc/79/86/15/571798615.db2.gz	BEUFUCSUMZCIPK-CABZTGNLSA-N	0	0	196.265	3.079	10	0		AGAERN
CC[C@H](C)[C@](C)(O)c1cccc(F)c1	37745659	571798620	/nfs/dbraw/zinc/79/86/20/571798620.db2.gz	UVYBFHIBDPGQCY-CABZTGNLSA-N	0	0	196.265	3.079	10	0		AGAERN
CC[C@@H](C)[C@@](C)(O)c1ccc(C)cc1	37745644	571798697	/nfs/dbraw/zinc/79/86/97/571798697.db2.gz	VHDQLVDZDOSHML-DGCLKSJQSA-N	0	0	192.302	3.249	10	0		AGAERN
CC[C@@H](C)[C@@](C)(O)c1cccc(C)c1	37745648	571798867	/nfs/dbraw/zinc/79/88/67/571798867.db2.gz	RPSGPFOMHIVIQU-DGCLKSJQSA-N	0	0	192.302	3.249	10	0		AGAERN
CC(C)C[C@H](O)[C@H]1C[C@H]2CC[C@H](C2)C1	710869893	571798957	/nfs/dbraw/zinc/79/89/57/571798957.db2.gz	GVUUNWNKAGFZSY-RNJOBUHISA-N	0	0	196.334	3.220	10	0		AGAERN
CC[C@H](C)[C@@](C)(O)c1ccc(C)cc1	37745645	571799112	/nfs/dbraw/zinc/79/91/12/571799112.db2.gz	VHDQLVDZDOSHML-WCQYABFASA-N	0	0	192.302	3.249	10	0		AGAERN
CC[C@@H](C)[C@](C)(O)c1cccc(F)c1	37745658	571799168	/nfs/dbraw/zinc/79/91/68/571799168.db2.gz	UVYBFHIBDPGQCY-SKDRFNHKSA-N	0	0	196.265	3.079	10	0		AGAERN
CC(C)C[C@H](O)[C@@H]1C[C@H]2CC[C@H](C2)C1	710869887	571799188	/nfs/dbraw/zinc/79/91/88/571799188.db2.gz	GVUUNWNKAGFZSY-LOWDOPEQSA-N	0	0	196.334	3.220	10	0		AGAERN
CC[C@H](C)[C@@](C)(O)c1cccc(C)c1	37745649	571799284	/nfs/dbraw/zinc/79/92/84/571799284.db2.gz	RPSGPFOMHIVIQU-WCQYABFASA-N	0	0	192.302	3.249	10	0		AGAERN
CC(C)C[C@@H](O)[C@@H]1C[C@H]2CC[C@H](C2)C1	710869890	571799367	/nfs/dbraw/zinc/79/93/67/571799367.db2.gz	GVUUNWNKAGFZSY-MROQNXINSA-N	0	0	196.334	3.220	10	0		AGAERN
CC[C@@](O)(C(C)C)C1CCCCC1	37755276	571799383	/nfs/dbraw/zinc/79/93/83/571799383.db2.gz	BMXQKGPJGLRQRD-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)C[C@@H](O)[C@H]1C[C@H]2CC[C@H](C2)C1	710869896	571799473	/nfs/dbraw/zinc/79/94/73/571799473.db2.gz	GVUUNWNKAGFZSY-YVECIDJPSA-N	0	0	196.334	3.220	10	0		AGAERN
CC[C@H](C)[C@](C)(O)c1cccc(C)c1	37745647	571799578	/nfs/dbraw/zinc/79/95/78/571799578.db2.gz	RPSGPFOMHIVIQU-AAEUAGOBSA-N	0	0	192.302	3.249	10	0		AGAERN
Cc1cc(C)cc([C@H](O)C(C)(C)C)c1	37746072	571799589	/nfs/dbraw/zinc/79/95/89/571799589.db2.gz	LYDQJHXILVIQFU-LBPRGKRZSA-N	0	0	192.302	3.383	10	0		AGAERN
CC[C@](O)(c1cccc(C)c1)C(C)C	37755302	571799689	/nfs/dbraw/zinc/79/96/89/571799689.db2.gz	OKXLWZBDKZQWTI-CYBMUJFWSA-N	0	0	192.302	3.249	10	0		AGAERN
CC[C@@](O)(c1cccc(F)c1)C(C)C	37755309	571799709	/nfs/dbraw/zinc/79/97/09/571799709.db2.gz	KXOGPGKJXWJZGO-LBPRGKRZSA-N	0	0	196.265	3.079	10	0		AGAERN
CC[C@H](C)[C@](C)(O)c1ccc(C)cc1	37745643	571799897	/nfs/dbraw/zinc/79/98/97/571799897.db2.gz	VHDQLVDZDOSHML-AAEUAGOBSA-N	0	0	192.302	3.249	10	0		AGAERN
CC[C@](O)(C(C)C)C1CCCCC1	37755275	571799901	/nfs/dbraw/zinc/79/99/01/571799901.db2.gz	BMXQKGPJGLRQRD-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)(C)C[C@H](CO)C(C)(C)C	39279373	571799885	/nfs/dbraw/zinc/79/98/85/571799885.db2.gz	KTWWBHKQTKVWRQ-SECBINFHSA-N	0	0	172.312	3.077	10	0		AGAERN
Cc1cc(C)cc([C@@H](O)C(C)(C)C)c1	37746073	571799979	/nfs/dbraw/zinc/79/99/79/571799979.db2.gz	LYDQJHXILVIQFU-GFCCVEGCSA-N	0	0	192.302	3.383	10	0		AGAERN
CC[C@@H](C)[C@](C)(O)c1cccc(C)c1	37745646	571799999	/nfs/dbraw/zinc/79/99/99/571799999.db2.gz	RPSGPFOMHIVIQU-YPMHNXCESA-N	0	0	192.302	3.249	10	0		AGAERN
CC[C@@H](C)[C@](C)(O)c1ccc(F)cc1	37745654	571800001	/nfs/dbraw/zinc/80/00/01/571800001.db2.gz	BEUFUCSUMZCIPK-SKDRFNHKSA-N	0	0	196.265	3.079	10	0		AGAERN
CC[C@@H](C)[C@](C)(O)c1ccc(C)cc1	37745642	571800052	/nfs/dbraw/zinc/80/00/52/571800052.db2.gz	VHDQLVDZDOSHML-YPMHNXCESA-N	0	0	192.302	3.249	10	0		AGAERN
CC[C@@H](C)[C@@](C)(O)c1ccc(F)cc1	37745656	571800076	/nfs/dbraw/zinc/80/00/76/571800076.db2.gz	BEUFUCSUMZCIPK-BXKDBHETSA-N	0	0	196.265	3.079	10	0		AGAERN
C[C@H]1CCC[C@@H](n2cccc2)[C@@H]1C	35120273	571800229	/nfs/dbraw/zinc/80/02/29/571800229.db2.gz	BWSUHGOYWHLBKF-QJPTWQEYSA-N	0	0	177.291	3.485	10	0		AGAERN
O=CC(O)c1cccc2ccccc12	687801812	571802687	/nfs/dbraw/zinc/80/26/87/571802687.db2.gz	CVFBJFWVNGZEGC-WQLSENKSSA-N	0	0	186.210	3.254	10	0		AGAERN
C[C@](O)(CCC1CC1)c1cccs1	235723964	571801046	/nfs/dbraw/zinc/80/10/46/571801046.db2.gz	PIOZLFKMJXROEM-NSHDSACASA-N	0	0	196.315	3.146	10	0		AGAERN
C[C@](O)(CCC1CC1)CC1CCC1	235723315	571801476	/nfs/dbraw/zinc/80/14/76/571801476.db2.gz	FSEYERVXJWXRDA-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
CCSCCCNc1ccccc1	39316494	571801528	/nfs/dbraw/zinc/80/15/28/571801528.db2.gz	YDJJJMVUIYQYHU-UHFFFAOYSA-N	0	0	195.331	3.242	10	0		AGAERN
CC1=C(C)[C@@H](C)[C@@H](C)CC1	2600044	571801592	/nfs/dbraw/zinc/80/15/92/571801592.db2.gz	YWAFHBGOWLIDJQ-CBAPKCEASA-N	0	0	138.254	3.389	10	0		AGAERN
C[C@](O)(CCC1CC1)c1ccccc1	235723867	571803221	/nfs/dbraw/zinc/80/32/21/571803221.db2.gz	IOJSYTPVQBTRKG-ZDUSSCGKSA-N	0	0	190.286	3.084	10	0		AGAERN
Cc1ccc([C@H]([NH3+])CCC(C)(C)C)o1	74243085	571805264	/nfs/dbraw/zinc/80/52/64/571805264.db2.gz	ZIDLIPWEVVJXFD-SNVBAGLBSA-N	0	0	195.306	3.414	10	0		AGAERN
C[C@H]1CCC[C@H](n2cccc2)[C@@H]1C	35120269	571803447	/nfs/dbraw/zinc/80/34/47/571803447.db2.gz	BWSUHGOYWHLBKF-TUAOUCFPSA-N	0	0	177.291	3.485	10	0		AGAERN
CCc1c2c(nc3ccccc13)CCC2	38276477	571803966	/nfs/dbraw/zinc/80/39/66/571803966.db2.gz	FCFVFGOKPVUDIT-UHFFFAOYSA-N	0	0	197.281	3.286	10	0		AGAERN
C[C@H]1C[C@H](C)C(C)(C)C1	2600031	571804631	/nfs/dbraw/zinc/80/46/31/571804631.db2.gz	AVBGIJNNMIBMQG-YUMQZZPRSA-N	0	0	126.243	3.079	10	0		AGAERN
Cc1ccc([C@@H]([NH3+])CCC(C)(C)C)o1	74243086	571804822	/nfs/dbraw/zinc/80/48/22/571804822.db2.gz	ZIDLIPWEVVJXFD-JTQLQIEISA-N	0	0	195.306	3.414	10	0		AGAERN
CCCCC[C@@H]1C[C@H](C)CC[C@H]1O	250827501	571805078	/nfs/dbraw/zinc/80/50/78/571805078.db2.gz	OJFSLIZBUVIQMZ-IJLUTSLNSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCCC[C@@H]1C[C@@H](C)CC[C@H]1O	250827503	571805695	/nfs/dbraw/zinc/80/56/95/571805695.db2.gz	OJFSLIZBUVIQMZ-QJPTWQEYSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)(C)CCC[C@@H](N)C(F)(F)F	74239857	571806575	/nfs/dbraw/zinc/80/65/75/571806575.db2.gz	KIALKRKBVORCOX-SSDOTTSWSA-N	0	0	197.244	3.092	10	0		AGAERN
C[C@H]1[C@@H](O)CC[C@@H]1CCC(C)(C)C	84876540	571807329	/nfs/dbraw/zinc/80/73/29/571807329.db2.gz	COZARAVSJPNLOF-MXWKQRLJSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)CCCCCC[C@H](C)O	113290160	571807715	/nfs/dbraw/zinc/80/77/15/571807715.db2.gz	MVHZJCNHMXHIEN-NSHDSACASA-N	0	0	172.312	3.364	10	0		AGAERN
CC(C)CCCCCC[C@@H](C)O	113290158	571808658	/nfs/dbraw/zinc/80/86/58/571808658.db2.gz	MVHZJCNHMXHIEN-LLVKDONJSA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@H](C)C[C@@H](C(C)C)[C@H](C)O	251237176	571808783	/nfs/dbraw/zinc/80/87/83/571808783.db2.gz	AAXXCSIAJMWQHB-SRVKXCTJSA-N	0	0	186.339	3.466	10	0		AGAERN
C/C=C/[C@@H](C)c1cc(C)ccc1O	3164021	571809538	/nfs/dbraw/zinc/80/95/38/571809538.db2.gz	REEVSMMNDPUOFK-ORAHPGNNSA-N	0	0	176.259	3.380	10	0		AGAERN
CC(C)C(=O)C[C@H](C)c1ccccc1	39348729	571813146	/nfs/dbraw/zinc/81/31/46/571813146.db2.gz	PRXJUXAVKICJCL-NSHDSACASA-N	0	0	190.286	3.405	10	0		AGAERN
C/C=C/[C@H](C)c1cc(C)ccc1O	3164025	571810214	/nfs/dbraw/zinc/81/02/14/571810214.db2.gz	REEVSMMNDPUOFK-YEZKRMTDSA-N	0	0	176.259	3.380	10	0		AGAERN
CCCC[C@@H]1C[C@@H](CC)CC[C@H]1O	251249399	571810422	/nfs/dbraw/zinc/81/04/22/571810422.db2.gz	BAHMWZAHEUTJNO-QJPTWQEYSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@H](C)C[C@H](CC)[C@H](C)O	251249331	571810832	/nfs/dbraw/zinc/81/08/32/571810832.db2.gz	BNEXOCRUAQAPJV-DCAQKATOSA-N	0	0	172.312	3.220	10	0		AGAERN
CCc1scnc1-c1ccccc1	3624476	571811356	/nfs/dbraw/zinc/81/13/56/571811356.db2.gz	LNGMWMFCNKYANI-UHFFFAOYSA-N	0	0	189.283	3.373	10	0		AGAERN
CCCC[C@@H]1C[C@H](CC)CC[C@H]1O	251249396	571812017	/nfs/dbraw/zinc/81/20/17/571812017.db2.gz	BAHMWZAHEUTJNO-IJLUTSLNSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@H](C)C[C@@H](CC)[C@H](C)O	251249336	571812232	/nfs/dbraw/zinc/81/22/32/571812232.db2.gz	BNEXOCRUAQAPJV-GARJFASQSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCC(=S)Nc1ccc(F)cc1	3607544	571813145	/nfs/dbraw/zinc/81/31/45/571813145.db2.gz	MRWAICBXUCOEMW-UHFFFAOYSA-N	0	0	197.278	3.365	10	0		AGAERN
c1ccc2c(c1)NC1=C(CCCC1)N2	3953311	571817052	/nfs/dbraw/zinc/81/70/52/571817052.db2.gz	OBPNWDGQNVMBIF-UHFFFAOYSA-N	0	0	186.258	3.310	10	0		AGAERN
c1ccc2c(c1)C[C@@H](C1CCCC1)N2	3715067	571815534	/nfs/dbraw/zinc/81/55/34/571815534.db2.gz	NUWLOKGYWJWIQU-ZDUSSCGKSA-N	0	0	187.286	3.213	10	0		AGAERN
Oc1cccc2c3c(oc12)CCCC3	3897079	571815660	/nfs/dbraw/zinc/81/56/60/571815660.db2.gz	FXNDDXOPFLEXRG-UHFFFAOYSA-N	0	0	188.226	3.017	10	0		AGAERN
CC/C=C(\C)C(=O)OCCCCC	113691865	571815757	/nfs/dbraw/zinc/81/57/57/571815757.db2.gz	HHGJEADGTDYTCK-CSKARUKUSA-N	0	0	184.279	3.076	10	0		AGAERN
CC(=O)/C=C\c1sccc1Cl	394036980	571815869	/nfs/dbraw/zinc/81/58/69/571815869.db2.gz	ANNWVOPVYBPQGD-IHWYPQMZSA-N	0	0	186.663	3.004	10	0		AGAERN
CC(C)(C)[C@@H]1Cc2cc(F)ccc2N1	3700539	571817461	/nfs/dbraw/zinc/81/74/61/571817461.db2.gz	JZROKUGQUGWTCZ-NSHDSACASA-N	0	0	193.265	3.208	10	0		AGAERN
CCC[C@H](C)C[C@@H]1CCCC[C@H]1O	251293090	571815914	/nfs/dbraw/zinc/81/59/14/571815914.db2.gz	HYXOOXXTYAVDCV-SDDRHHMPSA-N	0	0	184.323	3.364	10	0		AGAERN
CC/C=C(/C)C(=O)OCCCCC	113691863	571816333	/nfs/dbraw/zinc/81/63/33/571816333.db2.gz	HHGJEADGTDYTCK-NTMALXAHSA-N	0	0	184.279	3.076	10	0		AGAERN
CC(C)(C)[C@@H]1Cc2cccc(F)c2N1	3699723	571816509	/nfs/dbraw/zinc/81/65/09/571816509.db2.gz	LFWMMJFLVHMDAE-JTQLQIEISA-N	0	0	193.265	3.208	10	0		AGAERN
CCC[C@H](C)C[C@H]1CCCC[C@H]1O	251293085	571816741	/nfs/dbraw/zinc/81/67/41/571816741.db2.gz	HYXOOXXTYAVDCV-QJPTWQEYSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)(C)[C@H]1Cc2cc(F)ccc2N1	3700538	571817553	/nfs/dbraw/zinc/81/75/53/571817553.db2.gz	JZROKUGQUGWTCZ-LLVKDONJSA-N	0	0	193.265	3.208	10	0		AGAERN
CC(C)(C)[C@H]1Cc2cccc(F)c2N1	3699722	571817569	/nfs/dbraw/zinc/81/75/69/571817569.db2.gz	LFWMMJFLVHMDAE-SNVBAGLBSA-N	0	0	193.265	3.208	10	0		AGAERN
CCCCC/C=C(/C)C(=O)OCC	113691862	571817590	/nfs/dbraw/zinc/81/75/90/571817590.db2.gz	SWPHJOSYKWMQGV-KTKRTIGZSA-N	0	0	184.279	3.076	10	0		AGAERN
CCc1cccc2ccc(OC)cc12	6371720	571819084	/nfs/dbraw/zinc/81/90/84/571819084.db2.gz	IZOJENZMNYQGIR-UHFFFAOYSA-N	0	0	186.254	3.411	10	0		AGAERN
CCCC[C@]1(CC)[C@@H](CO)C1(C)C	301031660	571819165	/nfs/dbraw/zinc/81/91/65/571819165.db2.gz	VDVXUDPCNZVBLF-CMPLNLGQSA-N	0	0	184.323	3.221	10	0		AGAERN
CCCC[C@@]1(CC)[C@@H](CO)C1(C)C	301031661	571819638	/nfs/dbraw/zinc/81/96/38/571819638.db2.gz	VDVXUDPCNZVBLF-JQWIXIFHSA-N	0	0	184.323	3.221	10	0		AGAERN
CCCCC[C@]1(C)[C@@H](CO)C1(C)C	301031386	571819916	/nfs/dbraw/zinc/81/99/16/571819916.db2.gz	UZIQLGFMHGFNGK-CMPLNLGQSA-N	0	0	184.323	3.221	10	0		AGAERN
CCCCC[C@@]1(C)[C@@H](CO)C1(C)C	301031388	571820081	/nfs/dbraw/zinc/82/00/81/571820081.db2.gz	UZIQLGFMHGFNGK-JQWIXIFHSA-N	0	0	184.323	3.221	10	0		AGAERN
CCCC[C@@]1(CC)[C@H](CO)C1(C)C	301031662	571820108	/nfs/dbraw/zinc/82/01/08/571820108.db2.gz	VDVXUDPCNZVBLF-PWSUYJOCSA-N	0	0	184.323	3.221	10	0		AGAERN
Cc1cnccc1-c1ccc(F)cc1	144626062	571820277	/nfs/dbraw/zinc/82/02/77/571820277.db2.gz	DSDGXBYXXWCEJQ-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1ccc(CC(=O)C(C)(C)C)cc1	37992351	571820458	/nfs/dbraw/zinc/82/04/58/571820458.db2.gz	FWVKDGWFCVUMSI-UHFFFAOYSA-N	0	0	190.286	3.153	10	0		AGAERN
CCCC[C@]1(CC)[C@H](CO)C1(C)C	301031663	571820543	/nfs/dbraw/zinc/82/05/43/571820543.db2.gz	VDVXUDPCNZVBLF-ZYHUDNBSSA-N	0	0	184.323	3.221	10	0		AGAERN
CCCCC[C@@]1(C)[C@H](CO)C1(C)C	301031390	571820825	/nfs/dbraw/zinc/82/08/25/571820825.db2.gz	UZIQLGFMHGFNGK-PWSUYJOCSA-N	0	0	184.323	3.221	10	0		AGAERN
CCCCCC(=O)O[C@@H](C)C(C)C	113698872	571821160	/nfs/dbraw/zinc/82/11/60/571821160.db2.gz	XIVRNJNYZKGBGP-JTQLQIEISA-N	0	0	186.295	3.154	10	0		AGAERN
CCCCCC(=O)O[C@H](C)C(C)C	113698874	571821680	/nfs/dbraw/zinc/82/16/80/571821680.db2.gz	XIVRNJNYZKGBGP-SNVBAGLBSA-N	0	0	186.295	3.154	10	0		AGAERN
CCCCC[C@]1(C)[C@H](CO)C1(C)C	301031392	571822111	/nfs/dbraw/zinc/82/21/11/571822111.db2.gz	UZIQLGFMHGFNGK-ZYHUDNBSSA-N	0	0	184.323	3.221	10	0		AGAERN
CC1=NC(C)(C)[C@H]2CC[C@@H](C)C[C@@H]2O1	4272313	571823783	/nfs/dbraw/zinc/82/37/83/571823783.db2.gz	LQCDMDCZVVVXFB-MIMYLULJSA-N	0	0	195.306	3.018	10	0		AGAERN
CC1=NC(C)(C)[C@@H]2CC[C@@H](C)C[C@H]2O1	4272310	571824073	/nfs/dbraw/zinc/82/40/73/571824073.db2.gz	LQCDMDCZVVVXFB-FBIMIBRVSA-N	0	0	195.306	3.018	10	0		AGAERN
Cc1cccc2c(C=O)ccc(C)c12	78372971	571824985	/nfs/dbraw/zinc/82/49/85/571824985.db2.gz	RZJVEUVKSGGPLQ-UHFFFAOYSA-N	0	0	184.238	3.269	10	0		AGAERN
CCc1ccc(C(C)=O)c(Cl)c1	83188052	571826705	/nfs/dbraw/zinc/82/67/05/571826705.db2.gz	ZQWAVLVCNFZSMH-UHFFFAOYSA-N	0	0	182.650	3.105	10	0		AGAERN
C[C@H](O)CCCCCC(C)(C)C	78272016	571827202	/nfs/dbraw/zinc/82/72/02/571827202.db2.gz	LWXDXMATRHUURT-JTQLQIEISA-N	0	0	172.312	3.364	10	0		AGAERN
Cc1ccc(C)c2c1CC[C@@H](C)C2=O	4896495	571827297	/nfs/dbraw/zinc/82/72/97/571827297.db2.gz	PKGVLPASJKWUPK-SNVBAGLBSA-N	0	0	188.270	3.068	10	0		AGAERN
CC(C)[C@@H]1C[C@H](C(C)C)CC[C@@H]1O	4692348	571827680	/nfs/dbraw/zinc/82/76/80/571827680.db2.gz	DHKUSCSRSVCWJM-WOPDTQHZSA-N	0	0	184.323	3.076	10	0		AGAERN
CC[C@H](C)c1c[nH]c([C@H](C)CC)n1	39407241	571829312	/nfs/dbraw/zinc/82/93/12/571829312.db2.gz	DWSYJUFPJSRPIP-DTWKUNHWSA-N	0	0	180.295	3.437	10	0		AGAERN
CC(C)CCCOc1ccc(O)cc1	78203127	571830230	/nfs/dbraw/zinc/83/02/30/571830230.db2.gz	WTWGMFRZUWBVAE-UHFFFAOYSA-N	0	0	194.274	3.207	10	0		AGAERN
CC[C@H](C)c1c[nH]c([C@@H](C)CC)n1	39407239	571830899	/nfs/dbraw/zinc/83/08/99/571830899.db2.gz	DWSYJUFPJSRPIP-IUCAKERBSA-N	0	0	180.295	3.437	10	0		AGAERN
CC[C@@H](C)c1c[nH]c([C@H](C)CC)n1	39407240	571831222	/nfs/dbraw/zinc/83/12/22/571831222.db2.gz	DWSYJUFPJSRPIP-RKDXNWHRSA-N	0	0	180.295	3.437	10	0		AGAERN
CC1=CC[C@H](C)[C@H](C)[C@@]12C=C[C@H](C)O2	100779588	571831246	/nfs/dbraw/zinc/83/12/46/571831246.db2.gz	WYTVJTNOJJKEEQ-XYJRDEOASA-N	0	0	192.302	3.322	10	0	endogenous,in-man	AGAERN
CC1=CC[C@H](C)[C@H](C)[C@@]12C=C[C@@H](C)O2	100779591	571831254	/nfs/dbraw/zinc/83/12/54/571831254.db2.gz	WYTVJTNOJJKEEQ-ZBAXXZLZSA-N	0	0	192.302	3.322	10	0	endogenous,in-man	AGAERN
CC1=CC[C@H](C)[C@H](C)[C@]12C=C[C@H](C)O2	100779593	571831268	/nfs/dbraw/zinc/83/12/68/571831268.db2.gz	WYTVJTNOJJKEEQ-BQUFFADESA-N	0	0	192.302	3.322	10	0	endogenous,in-man	AGAERN
CC1=CC[C@H](C)[C@H](C)[C@]12C=C[C@@H](C)O2	100779594	571831329	/nfs/dbraw/zinc/83/13/29/571831329.db2.gz	WYTVJTNOJJKEEQ-RYDUCSDGSA-N	0	0	192.302	3.322	10	0	endogenous,in-man	AGAERN
CCCCCC[C@@H]1CS1	4977944	571832065	/nfs/dbraw/zinc/83/20/65/571832065.db2.gz	FUCNFCAABRZCTR-MRVPVSSYSA-N	0	0	144.283	3.072	10	0		AGAERN
CC(C)c1ccc(OCCF)cc1	78108062	571831567	/nfs/dbraw/zinc/83/15/67/571831567.db2.gz	VFCHJHMEMNRERE-UHFFFAOYSA-N	0	0	182.238	3.158	10	0		AGAERN
CC[C@H](C)c1nc([C@H](C)CC)c[nH]1	39407238	571831625	/nfs/dbraw/zinc/83/16/25/571831625.db2.gz	DWSYJUFPJSRPIP-BDAKNGLRSA-N	0	0	180.295	3.437	10	0		AGAERN
Cc1ccc(C(C)C)c(O)c1N=O	5002584	571832107	/nfs/dbraw/zinc/83/21/07/571832107.db2.gz	ZIVFZUHBEOTVPG-UHFFFAOYSA-N	0	0	179.219	3.222	10	0		AGAERN
CC1=Nc2ccccc2N[C@H](C)[C@@H]1C	5124684	571832222	/nfs/dbraw/zinc/83/22/22/571832222.db2.gz	DSXJUUVMAJERMI-DTWKUNHWSA-N	0	0	188.274	3.229	10	0		AGAERN
CC1=Nc2ccccc2N[C@@H](C)[C@@H]1C	5124682	571832394	/nfs/dbraw/zinc/83/23/94/571832394.db2.gz	DSXJUUVMAJERMI-IUCAKERBSA-N	0	0	188.274	3.229	10	0		AGAERN
C[C@@H]1CCCC[C@H]1C(=O)OC(C)(C)C	60315022	571832397	/nfs/dbraw/zinc/83/23/97/571832397.db2.gz	KNZCCZGPUIWYIH-NXEZZACHSA-N	0	0	198.306	3.154	10	0		AGAERN
CC1=Nc2ccccc2N[C@H](C)[C@H]1C	5124683	571832775	/nfs/dbraw/zinc/83/27/75/571832775.db2.gz	DSXJUUVMAJERMI-RKDXNWHRSA-N	0	0	188.274	3.229	10	0		AGAERN
CCC/C=C\[C@@H](O)c1ccccc1	78754085	571832888	/nfs/dbraw/zinc/83/28/88/571832888.db2.gz	MZYMGCVVRUCFLC-DUWGPSABSA-N	0	0	176.259	3.076	10	0		AGAERN
CCCCc1c[nH]c(CCCC)n1	39407236	571833416	/nfs/dbraw/zinc/83/34/16/571833416.db2.gz	CIKKWSATWSYOHV-UHFFFAOYSA-N	0	0	180.295	3.095	10	0		AGAERN
CCOC(=O)[C@@H]1CCCC[C@H]1C(C)C	143579703	571833140	/nfs/dbraw/zinc/83/31/40/571833140.db2.gz	NZVZKCSKNQIYQQ-WDEREUQCSA-N	0	0	198.306	3.012	10	0		AGAERN
CC1=Nc2ccccc2N[C@@H](C)[C@H]1C	5124681	571833880	/nfs/dbraw/zinc/83/38/80/571833880.db2.gz	DSXJUUVMAJERMI-BDAKNGLRSA-N	0	0	188.274	3.229	10	0		AGAERN
CCC/C=C\[C@H](O)c1ccccc1	78754072	571833928	/nfs/dbraw/zinc/83/39/28/571833928.db2.gz	MZYMGCVVRUCFLC-JSJZCHLLSA-N	0	0	176.259	3.076	10	0		AGAERN
CC1(C)CC[C@]2(C)CCCC[C@H]2[C@@H]1O	5201634	571834224	/nfs/dbraw/zinc/83/42/24/571834224.db2.gz	TWAKZSCHVDAMDF-GVXVVHGQSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1ccnc2[nH]c3ccccc3c12	5161416	571834277	/nfs/dbraw/zinc/83/42/77/571834277.db2.gz	MIOULEPPXLEANT-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
CC(C)(C)CC(=O)CC1=CCCC1	401142365	571834551	/nfs/dbraw/zinc/83/45/51/571834551.db2.gz	HHTJNWXOWOKQST-UHFFFAOYSA-N	0	0	180.291	3.492	10	0		AGAERN
OCCCC1CCCCCCC1	5189248	571834644	/nfs/dbraw/zinc/83/46/44/571834644.db2.gz	JJMLCEXBCWMAQR-UHFFFAOYSA-N	0	0	170.296	3.119	10	0		AGAERN
CC(=O)c1ccc(O)c(C)c1C(C)C	206381271	571835089	/nfs/dbraw/zinc/83/50/89/571835089.db2.gz	JPYSFYIKLLVGKW-UHFFFAOYSA-N	0	0	192.258	3.027	10	0		AGAERN
CC[C@H](C)C[C@@]1(CC)[C@H](CO)C1(C)C	301038664	571837809	/nfs/dbraw/zinc/83/78/09/571837809.db2.gz	YEZXVSZWLQLOAZ-LOWVWBTDSA-N	0	0	198.350	3.467	10	0		AGAERN
CC(=O)CCC[C@H]1CCC[C@H]1C	214556324	571835592	/nfs/dbraw/zinc/83/55/92/571835592.db2.gz	HIZKAGYTTNGPCY-MWLCHTKSSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(=O)CCC[C@H]1CCC[C@@H]1C	214556382	571835695	/nfs/dbraw/zinc/83/56/95/571835695.db2.gz	HIZKAGYTTNGPCY-GXSJLCMTSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCC[C@@H]1Cc2ccccc2N1	38234405	571836017	/nfs/dbraw/zinc/83/60/17/571836017.db2.gz	KYBSSUXAGLHRPQ-LLVKDONJSA-N	0	0	175.275	3.213	10	0		AGAERN
CCCCSCc1ccccc1O	34585820	571836052	/nfs/dbraw/zinc/83/60/52/571836052.db2.gz	OLYZVRQOZIBTGN-UHFFFAOYSA-N	0	0	196.315	3.426	10	0		AGAERN
CC(=O)CCC[C@@H]1CCC[C@@H]1C	214556431	571836220	/nfs/dbraw/zinc/83/62/20/571836220.db2.gz	HIZKAGYTTNGPCY-ONGXEEELSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)=C1Sc2ccccc2N1C	5137946	571836236	/nfs/dbraw/zinc/83/62/36/571836236.db2.gz	JWIINRRTBOURGR-UHFFFAOYSA-N	0	0	191.299	3.480	10	0		AGAERN
C=CC(=C)c1cc(Cl)ccc1O	38234553	571836635	/nfs/dbraw/zinc/83/66/35/571836635.db2.gz	QMORMGJNESQOSM-UHFFFAOYSA-N	0	0	180.634	3.245	10	0		AGAERN
Cc1ccc2c(c1)C=CC(C)(C)O2	38234383	571836706	/nfs/dbraw/zinc/83/67/06/571836706.db2.gz	VZJJHUVTIRTFPT-UHFFFAOYSA-N	0	0	174.243	3.179	10	0		AGAERN
CC(=O)OC/C=C1\CCCC(C)(C)C1	5161142	571836611	/nfs/dbraw/zinc/83/66/11/571836611.db2.gz	VETKXRAMNAWPAN-IZZDOVSWSA-N	0	0	196.290	3.076	10	0		AGAERN
CCCC1([C@@H](O)c2cocc2C)CC1	385372145	571836763	/nfs/dbraw/zinc/83/67/63/571836763.db2.gz	XPWPTZCYDDHSTN-NSHDSACASA-N	0	0	194.274	3.202	10	0		AGAERN
CCCC[C@@H]1C(=O)CCC[C@H]1C	38234255	571836802	/nfs/dbraw/zinc/83/68/02/571836802.db2.gz	MCHRZIKCUNCBTR-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@H](C)C[C@@]1(CC)[C@@H](CO)C1(C)C	301038663	571837043	/nfs/dbraw/zinc/83/70/43/571837043.db2.gz	YEZXVSZWLQLOAZ-GVXVVHGQSA-N	0	0	198.350	3.467	10	0		AGAERN
CSc1cscc1SC	38234452	571837239	/nfs/dbraw/zinc/83/72/39/571837239.db2.gz	LCTMUKRQVFWKTD-UHFFFAOYSA-N	0	0	176.331	3.192	10	0		AGAERN
Cc1c[nH]c2c1CCc1ccccc1-2	38220680	571838002	/nfs/dbraw/zinc/83/80/02/571838002.db2.gz	GEVSGDZUTSNQHN-UHFFFAOYSA-N	0	0	183.254	3.089	10	0		AGAERN
C=C=C(CC)[C@@H](O)C1CCCCC1	38266122	571838982	/nfs/dbraw/zinc/83/89/82/571838982.db2.gz	FVWUZWKSIUPSLO-GFCCVEGCSA-N	0	0	180.291	3.049	10	0		AGAERN
Cc1ccc([C@H]2C=CCC2)c(O)c1	38251308	571839208	/nfs/dbraw/zinc/83/92/08/571839208.db2.gz	OCKSURNWCXFUTQ-JTQLQIEISA-N	0	0	174.243	3.134	10	0		AGAERN
CC[C@H]1C=Cc2ccccc2NC1	5499965	571839573	/nfs/dbraw/zinc/83/95/73/571839573.db2.gz	KBPDAVZMTGTTJY-JTQLQIEISA-N	0	0	173.259	3.152	10	0		AGAERN
C=C=C(CC)[C@H](O)C1CCCCC1	38266120	571839806	/nfs/dbraw/zinc/83/98/06/571839806.db2.gz	FVWUZWKSIUPSLO-LBPRGKRZSA-N	0	0	180.291	3.049	10	0		AGAERN
CCC(=O)CC[C@@H]1CCC[C@H]1C	34589073	571841762	/nfs/dbraw/zinc/84/17/62/571841762.db2.gz	KOTZBKXCRLEXGF-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
C=COc1ccc(-c2ccc[nH]2)cc1	5495143	571840371	/nfs/dbraw/zinc/84/03/71/571840371.db2.gz	SMBOALSYWIHOGT-UHFFFAOYSA-N	0	0	185.226	3.204	10	0		AGAERN
Cc1ccnc2c1[nH]c1ccccc12	28088219	571840549	/nfs/dbraw/zinc/84/05/49/571840549.db2.gz	RMNVEHMFGIVBEN-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
C[C@H](O)CC(=C(F)F)c1ccccc1	38301897	571841038	/nfs/dbraw/zinc/84/10/38/571841038.db2.gz	OLRUUARICYOEPN-QMMMGPOBSA-N	0	0	198.212	3.065	10	0		AGAERN
CCC[C@@H](C)CCCCCCO	34589184	571841243	/nfs/dbraw/zinc/84/12/43/571841243.db2.gz	JIGSUZNTMMIYAJ-LLVKDONJSA-N	0	0	172.312	3.365	10	0	in-vitro	AGAERN
ClC(Cl)=Cc1ccco1	38301541	571841394	/nfs/dbraw/zinc/84/13/94/571841394.db2.gz	JFWALRNRSZUXFT-UHFFFAOYSA-N	0	0	163.003	3.056	10	0		AGAERN
CC1=C2CCC(=O)C[C@]2(C)CCC1	38282409	571841455	/nfs/dbraw/zinc/84/14/55/571841455.db2.gz	XYRQSRFHRLMWEU-LBPRGKRZSA-N	0	0	178.275	3.246	10	0		AGAERN
C[C@@H](O)CC(=C(F)F)c1ccccc1	38301898	571841783	/nfs/dbraw/zinc/84/17/83/571841783.db2.gz	OLRUUARICYOEPN-MRVPVSSYSA-N	0	0	198.212	3.065	10	0		AGAERN
CC[C@@H]1C=Cc2ccccc2NC1	5500030	571841851	/nfs/dbraw/zinc/84/18/51/571841851.db2.gz	KBPDAVZMTGTTJY-SNVBAGLBSA-N	0	0	173.259	3.152	10	0		AGAERN
CC(=O)S[C@H](C)c1ccccc1	38282446	571842005	/nfs/dbraw/zinc/84/20/05/571842005.db2.gz	CNJYZHYDDJHXGK-MRVPVSSYSA-N	0	0	180.272	3.027	10	0		AGAERN
CCC[C@H](C)CCCCCCO	34589186	571842312	/nfs/dbraw/zinc/84/23/12/571842312.db2.gz	JIGSUZNTMMIYAJ-NSHDSACASA-N	0	0	172.312	3.365	10	0	in-vitro	AGAERN
CC(=O)c1cccc(NC(C)(C)C)c1	38283394	571842498	/nfs/dbraw/zinc/84/24/98/571842498.db2.gz	YKJQXRONVAYSEY-UHFFFAOYSA-N	0	0	191.274	3.100	10	0		AGAERN
Cc1ccccc1/C(=C\CO)C(C)C	38283385	571842613	/nfs/dbraw/zinc/84/26/13/571842613.db2.gz	QQZZWRZRYGIDNP-WQLSENKSSA-N	0	0	190.286	3.027	10	0		AGAERN
CC[C@@H]1CCCC[C@H]1C1(O)CC(C)C1	233914760	571842658	/nfs/dbraw/zinc/84/26/58/571842658.db2.gz	DZCLXECXBWIEQA-QZQSVVMZSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@H](O)c1scc(C)c1Cl	233913057	571843134	/nfs/dbraw/zinc/84/31/34/571843134.db2.gz	YNWAFVLJOHTKAI-ZCFIWIBFSA-N	0	0	190.695	3.153	10	0		AGAERN
CC(C)[C@@H](CCCC(F)F)[C@@H](C)O	687849811	571843181	/nfs/dbraw/zinc/84/31/81/571843181.db2.gz	MACWLJMSGRTLQE-RKDXNWHRSA-N	0	0	194.265	3.075	10	0		AGAERN
Clc1ccnc(-c2cccs2)c1	118776690	571843387	/nfs/dbraw/zinc/84/33/87/571843387.db2.gz	BLMMTYYRYUBYSE-UHFFFAOYSA-N	0	0	195.674	3.464	10	0		AGAERN
CC[C@H](C)c1ccccc1OC	5651439	571843487	/nfs/dbraw/zinc/84/34/87/571843487.db2.gz	XGEOZYQKQHPUFZ-VIFPVBQESA-N	0	0	164.248	3.209	10	0		AGAERN
COc1ccc2c(c1)CCC[C@H]2C	38324983	571843657	/nfs/dbraw/zinc/84/36/57/571843657.db2.gz	ZWHPNHBMKJDFAL-SECBINFHSA-N	0	0	176.259	3.135	10	0		AGAERN
Cc1ccc2[nH]c3cnccc3c2c1	38523402	571848386	/nfs/dbraw/zinc/84/83/86/571848386.db2.gz	KNDZQHBNGMYRCU-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
CC(C)C[C@@H](O)CCCCC(F)F	687849296	571843888	/nfs/dbraw/zinc/84/38/88/571843888.db2.gz	KOXWZPPKTRLHES-VIFPVBQESA-N	0	0	194.265	3.219	10	0		AGAERN
CCSC(=S)c1cc(C)[nH]c1C	38325267	571843963	/nfs/dbraw/zinc/84/39/63/571843963.db2.gz	RRMVMQSIQYHWSB-UHFFFAOYSA-N	0	0	199.344	3.060	10	0		AGAERN
CC(C)C[C@H](O)CCCCC(F)F	687849292	571844025	/nfs/dbraw/zinc/84/40/25/571844025.db2.gz	KOXWZPPKTRLHES-SECBINFHSA-N	0	0	194.265	3.219	10	0		AGAERN
Cc1ccc(C)c(-c2ccc[nH]2)c1	5682226	571844056	/nfs/dbraw/zinc/84/40/56/571844056.db2.gz	WWBHXOAXNKDEQZ-UHFFFAOYSA-N	0	0	171.243	3.299	10	0		AGAERN
CCC(=O)O[C@@H]1C[C@H](C)CC(C)(C)C1	5710995	571844086	/nfs/dbraw/zinc/84/40/86/571844086.db2.gz	YVDQNZNDUJCCJU-VHSXEESVSA-N	0	0	198.306	3.154	10	0		AGAERN
CC[C@]1(C)[C@@H](C)C(=O)C=C(C)[C@@H]1C	5651657	571844164	/nfs/dbraw/zinc/84/41/64/571844164.db2.gz	NWRKGLAPSUFTME-NHCYSSNCSA-N	0	0	180.291	3.204	10	0		AGAERN
Cc1c(C(C)C)nnc2ccccc12	38337627	571844216	/nfs/dbraw/zinc/84/42/16/571844216.db2.gz	PLVZUEGYQRQVLV-UHFFFAOYSA-N	0	0	186.258	3.062	10	0		AGAERN
CC(C)C1N=Nc2ccccc2[C@H]1C	38337657	571844238	/nfs/dbraw/zinc/84/42/38/571844238.db2.gz	WAXDKTXICRPYQN-SECBINFHSA-N	0	0	188.274	3.228	10	0		AGAERN
CC(C)C1N=Nc2ccccc2[C@@H]1C	38337658	571844334	/nfs/dbraw/zinc/84/43/34/571844334.db2.gz	WAXDKTXICRPYQN-VIFPVBQESA-N	0	0	188.274	3.228	10	0		AGAERN
CNc1ccc(C(C)(C)C)s1	5642630	571844378	/nfs/dbraw/zinc/84/43/78/571844378.db2.gz	JCMLHTBENKCYDY-UHFFFAOYSA-N	0	0	169.293	3.087	10	0		AGAERN
C/C=C\CSc1ccc(N)c(F)c1	211612035	571844484	/nfs/dbraw/zinc/84/44/84/571844484.db2.gz	UUANSPRSCIKCAF-IHWYPQMZSA-N	0	0	197.278	3.076	10	0		AGAERN
CC(C)[C@H](CCCC(F)F)[C@H](C)O	687849809	571844570	/nfs/dbraw/zinc/84/45/70/571844570.db2.gz	MACWLJMSGRTLQE-IUCAKERBSA-N	0	0	194.265	3.075	10	0		AGAERN
CCc1cc[nH]c1-c1cccs1	5667190	571844591	/nfs/dbraw/zinc/84/45/91/571844591.db2.gz	GGZYHSRQMPKJCJ-UHFFFAOYSA-N	0	0	177.272	3.306	10	0		AGAERN
CC[C@H](C[C@H](C)CC(F)F)[C@H](C)O	687855076	571848377	/nfs/dbraw/zinc/84/83/77/571848377.db2.gz	DPHJDGDABZZBJM-XHNCKOQMSA-N	0	0	194.265	3.075	10	0		AGAERN
CC(C)[C@@H](CCCC(F)F)[C@H](C)O	687849807	571844634	/nfs/dbraw/zinc/84/46/34/571844634.db2.gz	MACWLJMSGRTLQE-DTWKUNHWSA-N	0	0	194.265	3.075	10	0		AGAERN
CCc1ccc(-c2ccccc2)[nH]1	5716116	571844677	/nfs/dbraw/zinc/84/46/77/571844677.db2.gz	XDXPOGUNVDBTHC-UHFFFAOYSA-N	0	0	171.243	3.244	10	0		AGAERN
COC(=O)CCCC=C1CCCCC1	34589982	571844696	/nfs/dbraw/zinc/84/46/96/571844696.db2.gz	ALGAKGXZDRGJLZ-UHFFFAOYSA-N	0	0	196.290	3.220	10	0		AGAERN
CC(C)[C@H](CCCC(F)F)[C@@H](C)O	687849802	571844942	/nfs/dbraw/zinc/84/49/42/571844942.db2.gz	MACWLJMSGRTLQE-BDAKNGLRSA-N	0	0	194.265	3.075	10	0		AGAERN
CC/C(C)=C/CC/C(C)=C\CCO	200033849	571844975	/nfs/dbraw/zinc/84/49/75/571844975.db2.gz	PZJYOYWEUMBZJB-WSWPAOCJSA-N	0	0	182.307	3.452	10	0		AGAERN
CCCCC1=CCC(=O)CCC1	38363076	571845083	/nfs/dbraw/zinc/84/50/83/571845083.db2.gz	SHZPZPNAUWRIEI-UHFFFAOYSA-N	0	0	166.264	3.246	10	0		AGAERN
CC[C@@H](C)c1ccccc1OC	5651109	571845100	/nfs/dbraw/zinc/84/51/00/571845100.db2.gz	XGEOZYQKQHPUFZ-SECBINFHSA-N	0	0	164.248	3.209	10	0		AGAERN
c1ccc2c(c1)cn1ccccc21	38324917	571845161	/nfs/dbraw/zinc/84/51/61/571845161.db2.gz	NBLJBUXLOFEXBS-UHFFFAOYSA-N	0	0	167.211	3.093	10	0		AGAERN
CC1(C)C=Nc2cc(Cl)ccc2N1	38312752	571845189	/nfs/dbraw/zinc/84/51/89/571845189.db2.gz	FCXXYBFZUXSORC-UHFFFAOYSA-N	0	0	194.665	3.246	10	0		AGAERN
CCc1cc[nH]c1-c1ccccc1	5667185	571845333	/nfs/dbraw/zinc/84/53/33/571845333.db2.gz	NXJBHJDFCYDKDT-UHFFFAOYSA-N	0	0	171.243	3.244	10	0		AGAERN
Cc1cc2c(C)c(C)sc2cc1N	28395669	571845890	/nfs/dbraw/zinc/84/58/90/571845890.db2.gz	DGSJTBVANZVQMW-UHFFFAOYSA-N	0	0	191.299	3.409	10	0		AGAERN
Cc1ccsc1CC(C)C	38415860	571846107	/nfs/dbraw/zinc/84/61/07/571846107.db2.gz	RZUXCXVPQXRSCO-UHFFFAOYSA-N	0	0	154.278	3.255	10	0		AGAERN
Cc1ccc(C(C)c2ccc(C)[nH]2)[nH]1	5750253	571846329	/nfs/dbraw/zinc/84/63/29/571846329.db2.gz	AFQRKAJKEAXBNT-UHFFFAOYSA-N	0	0	188.274	3.111	10	0		AGAERN
CC(C)OC1=CCCCCC1	38391962	571846352	/nfs/dbraw/zinc/84/63/52/571846352.db2.gz	XCWYCALQVSPZAP-UHFFFAOYSA-N	0	0	154.253	3.259	10	0		AGAERN
CCC(C)(C)c1cc(C)ccc1O	5818946	571846396	/nfs/dbraw/zinc/84/63/96/571846396.db2.gz	HSFXPWKQBDHWCN-UHFFFAOYSA-N	0	0	178.275	3.388	10	0		AGAERN
CC1=CC[C@H]([C@@H](C)/C=C/CO)C1(C)C	38416530	571846418	/nfs/dbraw/zinc/84/64/18/571846418.db2.gz	AEQSCDVGVNEZQF-SKNSLPIRSA-N	0	0	194.318	3.163	10	0		AGAERN
C=C/C=C/C1=C(C)[C@H](O)CCC1(C)C	38363507	571846428	/nfs/dbraw/zinc/84/64/28/571846428.db2.gz	NFAMGHLMLLAFQR-NNNHXZLVSA-N	0	0	192.302	3.226	10	0		AGAERN
C=C/C=C/C1=C(C)[C@@H](O)CCC1(C)C	38363506	571846609	/nfs/dbraw/zinc/84/66/09/571846609.db2.gz	NFAMGHLMLLAFQR-SYTKJHMZSA-N	0	0	192.302	3.226	10	0		AGAERN
CCC[C@@H](O)CC[C@@H](C)CC(F)F	687854229	571846998	/nfs/dbraw/zinc/84/69/98/571846998.db2.gz	BHMGKEUERJWOQL-RKDXNWHRSA-N	0	0	194.265	3.219	10	0		AGAERN
CC1=CC[C@@H]([C@H](C)/C=C/CO)C1(C)C	38416533	571847164	/nfs/dbraw/zinc/84/71/64/571847164.db2.gz	AEQSCDVGVNEZQF-SXGMEYSMSA-N	0	0	194.318	3.163	10	0		AGAERN
CC1=CC[C@@H]([C@@H](C)/C=C/CO)C1(C)C	38416531	571847199	/nfs/dbraw/zinc/84/71/99/571847199.db2.gz	AEQSCDVGVNEZQF-FANORHCKSA-N	0	0	194.318	3.163	10	0		AGAERN
CC1=CC[C@@H](/C=C/C[C@@H](C)O)C1(C)C	5767227	571847354	/nfs/dbraw/zinc/84/73/54/571847354.db2.gz	CVCLDEPKPXKLLE-ONYUAGEFSA-N	0	0	194.318	3.306	10	0		AGAERN
CC[C@H](C[C@@H](C)CC(F)F)[C@@H](C)O	687855075	571847359	/nfs/dbraw/zinc/84/73/59/571847359.db2.gz	DPHJDGDABZZBJM-IWSPIJDZSA-N	0	0	194.265	3.075	10	0		AGAERN
CC1=CC[C@H](C/C=C/[C@@H](C)O)C1(C)C	5767096	571847391	/nfs/dbraw/zinc/84/73/91/571847391.db2.gz	URNLHHLCLTVYHH-AIIUZBJTSA-N	0	0	194.318	3.306	10	0		AGAERN
CC1=CC[C@H]([C@H](C)/C=C/CO)C1(C)C	38416532	571847589	/nfs/dbraw/zinc/84/75/89/571847589.db2.gz	AEQSCDVGVNEZQF-PLWSPRCSSA-N	0	0	194.318	3.163	10	0		AGAERN
CCC[C@H](O)CC[C@H](C)CC(F)F	687854227	571847692	/nfs/dbraw/zinc/84/76/92/571847692.db2.gz	BHMGKEUERJWOQL-IUCAKERBSA-N	0	0	194.265	3.219	10	0		AGAERN
CCC[C@@H](O)CC[C@H](C)CC(F)F	687854224	571847945	/nfs/dbraw/zinc/84/79/45/571847945.db2.gz	BHMGKEUERJWOQL-DTWKUNHWSA-N	0	0	194.265	3.219	10	0		AGAERN
CC[C@H](C[C@@H](C)CC(F)F)[C@H](C)O	687855073	571847962	/nfs/dbraw/zinc/84/79/62/571847962.db2.gz	DPHJDGDABZZBJM-HRDYMLBCSA-N	0	0	194.265	3.075	10	0		AGAERN
CC(=O)C1(CCC2CCCC2)CC1	300719037	571848052	/nfs/dbraw/zinc/84/80/52/571848052.db2.gz	ARXLPHWYUMKVLA-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
CC(C)CCC[C@H]1CCCC1=O	5759050	571848061	/nfs/dbraw/zinc/84/80/61/571848061.db2.gz	IGEXYHSUUVTDLS-JTQLQIEISA-N	0	0	168.280	3.182	10	0		AGAERN
C[C@@](CO)(CCC1CCCC1)C1CC1	300719065	571848137	/nfs/dbraw/zinc/84/81/37/571848137.db2.gz	ATADKJCFSXUOFH-ZDUSSCGKSA-N	0	0	196.334	3.365	10	0		AGAERN
CC1=CC[C@H](/C=C/C[C@@H](C)O)C1(C)C	5767074	571848203	/nfs/dbraw/zinc/84/82/03/571848203.db2.gz	CVCLDEPKPXKLLE-BAEOLTKYSA-N	0	0	194.318	3.306	10	0		AGAERN
CC(C)[C@@H](O)CCCC1=CCCC1	400364045	571848314	/nfs/dbraw/zinc/84/83/14/571848314.db2.gz	BVDLRPGFKSOSGU-LBPRGKRZSA-N	0	0	182.307	3.284	10	0		AGAERN
CC[C@H](C[C@H](C)CC(F)F)[C@@H](C)O	687855072	571848335	/nfs/dbraw/zinc/84/83/35/571848335.db2.gz	DPHJDGDABZZBJM-DJLDLDEBSA-N	0	0	194.265	3.075	10	0		AGAERN
CC[C@@H]1CCC[C@@H](C2(O)CC(C)C2)C1	233916607	571848826	/nfs/dbraw/zinc/84/88/26/571848826.db2.gz	YJCGLWOHJDZAFP-QZQSVVMZSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)c1cc(C(C)C)c(O)cc1O	38523676	571848877	/nfs/dbraw/zinc/84/88/77/571848877.db2.gz	ATSSDICPUSGNHX-UHFFFAOYSA-N	0	0	194.274	3.345	10	0		AGAERN
CC(C)[C@@H](CO)CCC1CCCC1	300719000	571848930	/nfs/dbraw/zinc/84/89/30/571848930.db2.gz	AQGKLHBANZACEM-GFCCVEGCSA-N	0	0	184.323	3.221	10	0		AGAERN
CCC[C@H](O)CC[C@@H](C)CC(F)F	687854219	571848961	/nfs/dbraw/zinc/84/89/61/571848961.db2.gz	BHMGKEUERJWOQL-BDAKNGLRSA-N	0	0	194.265	3.219	10	0		AGAERN
CCCC[C@](C)(O)CCCC(F)F	687853462	571849234	/nfs/dbraw/zinc/84/92/34/571849234.db2.gz	ALTYHTYCOGQLON-JTQLQIEISA-N	0	0	194.265	3.363	10	0		AGAERN
C[C@](CO)(CCC1CCCC1)C1CC1	300719064	571849818	/nfs/dbraw/zinc/84/98/18/571849818.db2.gz	ATADKJCFSXUOFH-CYBMUJFWSA-N	0	0	196.334	3.365	10	0		AGAERN
CCCCC(=O)[C@H]1CC=CCC1	34593194	571850013	/nfs/dbraw/zinc/85/00/13/571850013.db2.gz	IHMSDHKBLNJXHT-JTQLQIEISA-N	0	0	166.264	3.102	10	0		AGAERN
CC1(C)CCCC2=C1CC(=O)CC2	38523326	571850084	/nfs/dbraw/zinc/85/00/84/571850084.db2.gz	GQAIIAKEMJZLEA-UHFFFAOYSA-N	0	0	178.275	3.246	10	0		AGAERN
CC[C@@H]1CCC[C@]1(O)C1=CCCCC1	233919834	571850092	/nfs/dbraw/zinc/85/00/92/571850092.db2.gz	MJIFTDBTNNHYDO-DGCLKSJQSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)[C@H](CO)CCC1CCCC1	300719001	571850163	/nfs/dbraw/zinc/85/01/63/571850163.db2.gz	AQGKLHBANZACEM-LBPRGKRZSA-N	0	0	184.323	3.221	10	0		AGAERN
CC(C)[C@H](O)CCCC1=CCCC1	400364043	571850231	/nfs/dbraw/zinc/85/02/31/571850231.db2.gz	BVDLRPGFKSOSGU-GFCCVEGCSA-N	0	0	182.307	3.284	10	0		AGAERN
CCCC[C@@](C)(O)CCCC(F)F	687853464	571850258	/nfs/dbraw/zinc/85/02/58/571850258.db2.gz	ALTYHTYCOGQLON-SNVBAGLBSA-N	0	0	194.265	3.363	10	0		AGAERN
CCc1cc(O)c2ccccc2c1	38523189	571850428	/nfs/dbraw/zinc/85/04/28/571850428.db2.gz	TXXQNKDYOXGLQS-UHFFFAOYSA-N	0	0	172.227	3.108	10	0		AGAERN
CC[C@]12CC(=O)CC[C@H]1CC=C2C	38434193	571850505	/nfs/dbraw/zinc/85/05/05/571850505.db2.gz	NFLRAJOSWLPLLE-ZYHUDNBSSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@@H](O)[C@@H](C)CCC1CCCC1	300720404	571850631	/nfs/dbraw/zinc/85/06/31/571850631.db2.gz	BHBUBRFCICJZHN-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
C/C=C/CSc1ccc(OC)cc1	144354121	571850690	/nfs/dbraw/zinc/85/06/90/571850690.db2.gz	UDRBTVDZWJVJRP-ONEGZZNKSA-N	0	0	194.299	3.363	10	0		AGAERN
CC(C)[C@H](O)CC[C@@H](C)CC(F)F	687855315	571850744	/nfs/dbraw/zinc/85/07/44/571850744.db2.gz	FUYRQQQIBDGQRB-RKDXNWHRSA-N	0	0	194.265	3.075	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1C1(O)CC(C)C1	233924534	571850932	/nfs/dbraw/zinc/85/09/32/571850932.db2.gz	DZCLXECXBWIEQA-QBHFIFKDSA-N	0	0	196.334	3.364	10	0		AGAERN
CCc1c(C)cc(C)c(CC)c1O	28767979	571852229	/nfs/dbraw/zinc/85/22/29/571852229.db2.gz	FKHCUBYZJXPEPX-UHFFFAOYSA-N	0	0	178.275	3.134	10	0		AGAERN
CC(C)[C@H](O)CC[C@H](C)CC(F)F	687855313	571850995	/nfs/dbraw/zinc/85/09/95/571850995.db2.gz	FUYRQQQIBDGQRB-DTWKUNHWSA-N	0	0	194.265	3.075	10	0		AGAERN
CC[C@@H]1C[C@@H]1n1c(C)ccc1C	233924994	571851119	/nfs/dbraw/zinc/85/11/19/571851119.db2.gz	YSMWWRSFIJPBFP-MNOVXSKESA-N	0	0	163.264	3.076	10	0		AGAERN
CC(C)[C@@H](O)CC[C@@H](C)CC(F)F	687855309	571851276	/nfs/dbraw/zinc/85/12/76/571851276.db2.gz	FUYRQQQIBDGQRB-BDAKNGLRSA-N	0	0	194.265	3.075	10	0		AGAERN
CC(C)[C@@H](O)CC[C@H](C)CC(F)F	687855314	571851388	/nfs/dbraw/zinc/85/13/88/571851388.db2.gz	FUYRQQQIBDGQRB-IUCAKERBSA-N	0	0	194.265	3.075	10	0		AGAERN
CC[C@H](O)[C@H](C)CCC1CCCC1	300720406	571851505	/nfs/dbraw/zinc/85/15/05/571851505.db2.gz	BHBUBRFCICJZHN-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC1=C[C@H]2CC(C)(C)OC[C@@H]2C[C@@H]1C	38645354	571851628	/nfs/dbraw/zinc/85/16/28/571851628.db2.gz	HIHXXYCXFIAFGQ-SRVKXCTJSA-N	0	0	194.318	3.404	10	0		AGAERN
CCCCC(=O)[C@@H]1CC=CCC1	34593195	571852165	/nfs/dbraw/zinc/85/21/65/571852165.db2.gz	IHMSDHKBLNJXHT-SNVBAGLBSA-N	0	0	166.264	3.102	10	0		AGAERN
CC1CCC([C@H](C)[C@@H](C)CO)CC1	38636409	571852186	/nfs/dbraw/zinc/85/21/86/571852186.db2.gz	JADYNECLVZHQIE-LVFLEHKBSA-N	0	0	184.323	3.077	10	0		AGAERN
CC(C)c1[nH]c(=S)[nH]c1C(C)C	38583708	571852509	/nfs/dbraw/zinc/85/25/09/571852509.db2.gz	RDVWPFIFVNKJCR-UHFFFAOYSA-N	0	0	184.308	3.319	10	0		AGAERN
CC(C)CC[C@@H](O)CCCC(F)F	687860533	571855019	/nfs/dbraw/zinc/85/50/19/571855019.db2.gz	VUBYTCXETKCUMV-VIFPVBQESA-N	0	0	194.265	3.219	10	0		AGAERN
CCCC(=O)O[C@H]1CCC=CCCC1	38647634	571852634	/nfs/dbraw/zinc/85/26/34/571852634.db2.gz	XUEDLQFTUOWOOY-NSHDSACASA-N	0	0	196.290	3.219	10	0		AGAERN
CCC(F)(F)c1cccc(F)c1	144182975	571852780	/nfs/dbraw/zinc/85/27/80/571852780.db2.gz	SUEHXLYCEHKBOW-UHFFFAOYSA-N	0	0	174.165	3.328	10	0		AGAERN
CC1CCC([C@H](C)[C@H](C)CO)CC1	38636413	571852781	/nfs/dbraw/zinc/85/27/81/571852781.db2.gz	JADYNECLVZHQIE-BFUDSRACSA-N	0	0	184.323	3.077	10	0		AGAERN
CC[C@@H](O)[C@H](C)CCC1CCCC1	300720407	571852860	/nfs/dbraw/zinc/85/28/60/571852860.db2.gz	BHBUBRFCICJZHN-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CC1CCC([C@@H](C)[C@@H](C)CO)CC1	38636407	571852920	/nfs/dbraw/zinc/85/29/20/571852920.db2.gz	JADYNECLVZHQIE-YECOWLKZSA-N	0	0	184.323	3.077	10	0		AGAERN
CC[C@@H](C)c1cc(C)ccc1O	5922759	571852946	/nfs/dbraw/zinc/85/29/46/571852946.db2.gz	ZWZHDBGKMXOIIE-SECBINFHSA-N	0	0	164.248	3.214	10	0		AGAERN
CC[C@H](O)[C@@H](C)CCC1CCCC1	300720405	571853027	/nfs/dbraw/zinc/85/30/27/571853027.db2.gz	BHBUBRFCICJZHN-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@H]1CCCN1c1ccc(Cl)cc1	5934279	571853169	/nfs/dbraw/zinc/85/31/69/571853169.db2.gz	CWQXWIMWSOMCHT-SECBINFHSA-N	0	0	195.693	3.329	10	0		AGAERN
CC(C)C(=O)O[C@@H]1CCC=CCCC1	38647643	571853171	/nfs/dbraw/zinc/85/31/71/571853171.db2.gz	WDZBGDCYTPOXNK-LLVKDONJSA-N	0	0	196.290	3.075	10	0		AGAERN
CC(C)C(=O)O[C@H]1CCC=CCCC1	38647640	571853310	/nfs/dbraw/zinc/85/33/10/571853310.db2.gz	WDZBGDCYTPOXNK-NSHDSACASA-N	0	0	196.290	3.075	10	0		AGAERN
CC[C@H](CC(F)F)C[C@@H](C)[C@@H](C)O	687859852	571853412	/nfs/dbraw/zinc/85/34/12/571853412.db2.gz	BPDSVCDQQBMQCN-HLTSFMKQSA-N	0	0	194.265	3.075	10	0		AGAERN
CC(C)CC[C@H](O)CCCC(F)F	687860532	571853542	/nfs/dbraw/zinc/85/35/42/571853542.db2.gz	VUBYTCXETKCUMV-SECBINFHSA-N	0	0	194.265	3.219	10	0		AGAERN
CCC/C(C)=C/Br	116965273	571853679	/nfs/dbraw/zinc/85/36/79/571853679.db2.gz	XHHOBXRZXSISEL-AATRIKPKSA-N	0	0	163.058	3.085	10	0		AGAERN
CC[C@@H](C)C[C@@H](O)CCCC(F)F	687861499	571853783	/nfs/dbraw/zinc/85/37/83/571853783.db2.gz	ZSJPIHSRSGRZHW-BDAKNGLRSA-N	0	0	194.265	3.219	10	0		AGAERN
CC[C@@H](CC[C@H](O)CC)CC(F)F	687859746	571853945	/nfs/dbraw/zinc/85/39/45/571853945.db2.gz	AKKJVCWSMIGOPC-DTWKUNHWSA-N	0	0	194.265	3.219	10	0		AGAERN
CC[C@H](C)c1cc(C)ccc1O	5925484	571853988	/nfs/dbraw/zinc/85/39/88/571853988.db2.gz	ZWZHDBGKMXOIIE-VIFPVBQESA-N	0	0	164.248	3.214	10	0		AGAERN
CC1=CC(C)(C)[C@H]([C@@H](C)/C=C/CO)C1	38672472	571853995	/nfs/dbraw/zinc/85/39/95/571853995.db2.gz	YUTFUXHJMOGDAM-WTIVYXKASA-N	0	0	194.318	3.163	10	0		AGAERN
CC[C@H](CC(F)F)C[C@H](C)[C@H](C)O	687859850	571854108	/nfs/dbraw/zinc/85/41/08/571854108.db2.gz	BPDSVCDQQBMQCN-CIUDSAMLSA-N	0	0	194.265	3.075	10	0		AGAERN
CCc1[nH]c2c(Cl)nccc2c1C	116969584	571854132	/nfs/dbraw/zinc/85/41/32/571854132.db2.gz	FCKSZGMPSBCKJU-UHFFFAOYSA-N	0	0	194.665	3.087	10	0		AGAERN
Cc1cc(C2CC2)nc2ccccc12	5930796	571854177	/nfs/dbraw/zinc/85/41/77/571854177.db2.gz	LXHXKQVMXKRVFC-UHFFFAOYSA-N	0	0	183.254	3.421	10	0		AGAERN
CC[C@H](O)CC[C@@H](CC)CC(F)F	687859745	571854181	/nfs/dbraw/zinc/85/41/81/571854181.db2.gz	AKKJVCWSMIGOPC-BDAKNGLRSA-N	0	0	194.265	3.219	10	0		AGAERN
CC[C@H](CC(F)F)C[C@@H](C)[C@H](C)O	687859854	571854251	/nfs/dbraw/zinc/85/42/51/571854251.db2.gz	BPDSVCDQQBMQCN-VGMNWLOBSA-N	0	0	194.265	3.075	10	0		AGAERN
CC1=CC(C)(C)[C@H]([C@H](C)/C=C/CO)C1	38672475	571854282	/nfs/dbraw/zinc/85/42/82/571854282.db2.gz	YUTFUXHJMOGDAM-AIIUZBJTSA-N	0	0	194.318	3.163	10	0		AGAERN
CC[C@@H](O)CC[C@@H](CC)CC(F)F	687859748	571854293	/nfs/dbraw/zinc/85/42/93/571854293.db2.gz	AKKJVCWSMIGOPC-RKDXNWHRSA-N	0	0	194.265	3.219	10	0		AGAERN
CCc1cccc2cccc(O)c12	38760510	571854318	/nfs/dbraw/zinc/85/43/18/571854318.db2.gz	GJCBFROUQBVCFF-UHFFFAOYSA-N	0	0	172.227	3.108	10	0		AGAERN
CCSC(=O)Nc1ccccc1C	5921813	571854382	/nfs/dbraw/zinc/85/43/82/571854382.db2.gz	GASUYEPBLTXVIL-UHFFFAOYSA-N	0	0	195.287	3.280	10	0		AGAERN
C[C@@](O)(CCC1CCCC1)C1CC1	300720760	571854421	/nfs/dbraw/zinc/85/44/21/571854421.db2.gz	BLUCUXMZDZKVDW-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@H](CC(F)F)C[C@H](C)[C@@H](C)O	687859855	571854445	/nfs/dbraw/zinc/85/44/45/571854445.db2.gz	BPDSVCDQQBMQCN-YIZRAAEISA-N	0	0	194.265	3.075	10	0		AGAERN
CC1=CC(C)(C)[C@@H]([C@H](C)/C=C/CO)C1	38672477	571854489	/nfs/dbraw/zinc/85/44/89/571854489.db2.gz	YUTFUXHJMOGDAM-IEVRTODYSA-N	0	0	194.318	3.163	10	0		AGAERN
CC[C@H](O)CC[C@H](CC)CC(F)F	687859747	571854512	/nfs/dbraw/zinc/85/45/12/571854512.db2.gz	AKKJVCWSMIGOPC-IUCAKERBSA-N	0	0	194.265	3.219	10	0		AGAERN
CC[C@@H]1C[C@@]1(O)C1(C)CCCCC1	233930421	571854532	/nfs/dbraw/zinc/85/45/32/571854532.db2.gz	BTSWLZOTORALBQ-PWSUYJOCSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@H]1CCCN1c1ccc(Cl)cc1	5934460	571854671	/nfs/dbraw/zinc/85/46/71/571854671.db2.gz	CWQXWIMWSOMCHT-VIFPVBQESA-N	0	0	195.693	3.329	10	0		AGAERN
CCc1cc2ccccc2c(O)c1C	38672147	571854708	/nfs/dbraw/zinc/85/47/08/571854708.db2.gz	JPXNJTYLXDUXDM-UHFFFAOYSA-N	0	0	186.254	3.416	10	0		AGAERN
CC1=CC(C)(C)[C@@H]([C@@H](C)/C=C/CO)C1	38672474	571854896	/nfs/dbraw/zinc/85/48/96/571854896.db2.gz	YUTFUXHJMOGDAM-CYLBZQBVSA-N	0	0	194.318	3.163	10	0		AGAERN
CC[C@H](C)C[C@@H](O)CCCC(F)F	687861514	571854906	/nfs/dbraw/zinc/85/49/06/571854906.db2.gz	ZSJPIHSRSGRZHW-IUCAKERBSA-N	0	0	194.265	3.219	10	0		AGAERN
CC[C@@H]1C[C@]1(O)C1(C)CCCCC1	233930251	571854978	/nfs/dbraw/zinc/85/49/78/571854978.db2.gz	BTSWLZOTORALBQ-ZYHUDNBSSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@@H]1CCC[C@@]1(O)C1=CCCCC1	233926041	571854949	/nfs/dbraw/zinc/85/49/49/571854949.db2.gz	MJIFTDBTNNHYDO-YPMHNXCESA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@@H]1CC[C@@H](C(C)(C)C2CC2)C(=O)C1	38672470	571854953	/nfs/dbraw/zinc/85/49/53/571854953.db2.gz	JAOOHQPVSNYUTI-MWLCHTKSSA-N	0	0	194.318	3.428	10	0		AGAERN
CCc1cccc(CC)c1N=O	5956633	571854959	/nfs/dbraw/zinc/85/49/59/571854959.db2.gz	JHQKOZCKWDZBNY-UHFFFAOYSA-N	0	0	163.220	3.209	10	0		AGAERN
CC[C@@H](C)C[C@H](O)CCCC(F)F	687861515	571855121	/nfs/dbraw/zinc/85/51/21/571855121.db2.gz	ZSJPIHSRSGRZHW-RKDXNWHRSA-N	0	0	194.265	3.219	10	0		AGAERN
CC[C@H](C)C[C@H](O)CCCC(F)F	687861512	571855124	/nfs/dbraw/zinc/85/51/24/571855124.db2.gz	ZSJPIHSRSGRZHW-DTWKUNHWSA-N	0	0	194.265	3.219	10	0		AGAERN
C[C@@H](C(=O)c1ccccc1)C1CCC1	144493235	571855329	/nfs/dbraw/zinc/85/53/29/571855329.db2.gz	YRQBKXJYJNGYCY-SNVBAGLBSA-N	0	0	188.270	3.306	10	0		AGAERN
Cc1c(O)ccc(C(C)(C)C)c1C	6068812	571855745	/nfs/dbraw/zinc/85/57/45/571855745.db2.gz	OXPSEZLCVXHNQE-UHFFFAOYSA-N	0	0	178.275	3.307	10	0		AGAERN
Cc1cc(-c2cccc(O)c2)cnc1C	687805531	571855789	/nfs/dbraw/zinc/85/57/89/571855789.db2.gz	AOHFTEFDWYPSRL-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
O[C@@]1(CCC2CC2)C[C@H]2CC[C@H](C2)C1	711003445	571855816	/nfs/dbraw/zinc/85/58/16/571855816.db2.gz	VDCGDSMYAQYQQM-CLLJXQQHSA-N	0	0	194.318	3.118	10	0		AGAERN
CCC(C)(C)[C@@H](O)CCCC(F)F	687858974	571855853	/nfs/dbraw/zinc/85/58/53/571855853.db2.gz	QZSRKRQPNMAYBI-QMMMGPOBSA-N	0	0	194.265	3.219	10	0		AGAERN
C/C=C\CSc1cc(C)ccc1N	211615731	571857233	/nfs/dbraw/zinc/85/72/33/571857233.db2.gz	YZRSZKJJUYOWRU-ARJAWSKDSA-N	0	0	193.315	3.245	10	0		AGAERN
CCOC(=O)/C=C/C=C(/CC)C(C)C	300722587	571855909	/nfs/dbraw/zinc/85/59/09/571855909.db2.gz	CDCCSTFWKDOLMP-BGZVTZOUSA-N	0	0	196.290	3.098	10	0		AGAERN
CC(C)C(=O)C(C)(C)C(C)(C)C	196100891	571855883	/nfs/dbraw/zinc/85/58/83/571855883.db2.gz	ZZFNRBCCYRXMMN-UHFFFAOYSA-N	0	0	170.296	3.284	10	0		AGAERN
CCC(C)(C)[C@H](O)CCCC(F)F	687858972	571856079	/nfs/dbraw/zinc/85/60/79/571856079.db2.gz	QZSRKRQPNMAYBI-MRVPVSSYSA-N	0	0	194.265	3.219	10	0		AGAERN
O[C@]1(CCC2CC2)C[C@H]2CC[C@H](C2)C1	711003447	571856107	/nfs/dbraw/zinc/85/61/07/571856107.db2.gz	VDCGDSMYAQYQQM-ITGUQSILSA-N	0	0	194.318	3.118	10	0		AGAERN
C[C@](O)(CCC1CCCC1)C1CC1	300720761	571856307	/nfs/dbraw/zinc/85/63/07/571856307.db2.gz	BLUCUXMZDZKVDW-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
CC1=CCCC(C)(C)[C@]12C=C[C@H](C)O2	6037326	571856413	/nfs/dbraw/zinc/85/64/13/571856413.db2.gz	BXVWNVFSJFBMTG-AAEUAGOBSA-N	0	0	192.302	3.466	10	0		AGAERN
C=Cc1ccc(C=C)s1	38880217	571859608	/nfs/dbraw/zinc/85/96/08/571859608.db2.gz	ANMWIHGTNVYQTJ-UHFFFAOYSA-N	0	0	136.219	3.034	10	0		AGAERN
COC1=C2CCCC[C@@H]2CCC1	5997702	571856871	/nfs/dbraw/zinc/85/68/71/571856871.db2.gz	JWGZDJQGJGEAAT-SECBINFHSA-N	0	0	166.264	3.261	10	0		AGAERN
Cc1ccc(CCc2ccccc2)[nH]1	38810497	571856920	/nfs/dbraw/zinc/85/69/20/571856920.db2.gz	BIHMKRSIIXLBJW-UHFFFAOYSA-N	0	0	185.270	3.108	10	0		AGAERN
CC(C)=CCOCc1ccccc1	38810333	571856963	/nfs/dbraw/zinc/85/69/63/571856963.db2.gz	ZVASGJZYKNLXPW-UHFFFAOYSA-N	0	0	176.259	3.169	10	0		AGAERN
C=C=C1CCC[C@@]12CCCC(=O)C2	38810331	571857149	/nfs/dbraw/zinc/85/71/49/571857149.db2.gz	BBZVZYYHAALHMI-LBPRGKRZSA-N	0	0	176.259	3.011	10	0		AGAERN
CCOC(=O)CCCC/C=C\C(C)C	144388332	571857169	/nfs/dbraw/zinc/85/71/69/571857169.db2.gz	IXHFFNCBURGATB-CLFYSBASSA-N	0	0	198.306	3.322	10	0		AGAERN
CC1=C[C@H](C)[C@H](/C=C/[C@@H](C)O)[C@H](C)C1	6030625	571857537	/nfs/dbraw/zinc/85/75/37/571857537.db2.gz	WQTLBWPUJXRBIN-YVZBSQEFSA-N	0	0	194.318	3.162	10	0		AGAERN
Cc1cccc2c1[nH]c1cc[nH+]cc12	29062439	571857740	/nfs/dbraw/zinc/85/77/40/571857740.db2.gz	GBVZKBJPCWBDLR-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
O=C1N=C2CCCCCCC2CS1	196101671	571857810	/nfs/dbraw/zinc/85/78/10/571857810.db2.gz	MZHYVJNGYLNNKU-UHFFFAOYSA-N	0	0	197.303	3.051	10	0		AGAERN
C[Si](C)(C)CC(=O)c1ccccc1	196108757	571858079	/nfs/dbraw/zinc/85/80/79/571858079.db2.gz	GWVVTQDMPPQSOC-UHFFFAOYSA-N	0	0	192.334	3.208	10	0		AGAERN
Cc1c2c(c3[nH]ccc3c1C)CCC2	38810496	571858092	/nfs/dbraw/zinc/85/80/92/571858092.db2.gz	NWRYWYIKVNJQNC-UHFFFAOYSA-N	0	0	185.270	3.273	10	0		AGAERN
CC1=CCCC(C)(C)[C@@]12C=C[C@@H](C)O2	6030610	571858096	/nfs/dbraw/zinc/85/80/96/571858096.db2.gz	BXVWNVFSJFBMTG-DGCLKSJQSA-N	0	0	192.302	3.466	10	0		AGAERN
Cc1cccc2[nH]c3cc[nH+]cc3c12	29062236	571858370	/nfs/dbraw/zinc/85/83/70/571858370.db2.gz	MTMBXSVAWSELBN-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
C=C=C1CCC[C@]12CCCC(=O)C2	38810332	571858435	/nfs/dbraw/zinc/85/84/35/571858435.db2.gz	BBZVZYYHAALHMI-GFCCVEGCSA-N	0	0	176.259	3.011	10	0		AGAERN
Nc1cccc(/C=C\c2ccccc2)c1	111331795	571858467	/nfs/dbraw/zinc/85/84/67/571858467.db2.gz	STNDIHAVRCIBCC-KTKRTIGZSA-N	0	0	195.265	3.439	10	0		AGAERN
Cc1cc(C)c2ccccc2c1O	6069790	571858502	/nfs/dbraw/zinc/85/85/02/571858502.db2.gz	NVXQODPCHCPVPB-UHFFFAOYSA-N	0	0	172.227	3.162	10	0		AGAERN
CC1=C[C@@H](C)C[C@@]2(CCCC2=O)C1	38854116	571859563	/nfs/dbraw/zinc/85/95/63/571859563.db2.gz	SCCKEPWFQOEQET-SKDRFNHKSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@@H]1CCC[C@H](C2(O)CC(C)C2)C1	233932508	571858619	/nfs/dbraw/zinc/85/86/19/571858619.db2.gz	YJCGLWOHJDZAFP-QBHFIFKDSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@@H](O)C1(CCC2CCCC2)CC1	300727562	571858921	/nfs/dbraw/zinc/85/89/21/571858921.db2.gz	DPJDOPGUJORAHR-SNVBAGLBSA-N	0	0	182.307	3.118	10	0		AGAERN
C=Cc1cccc([C@@H](C)CC)n1	38864943	571859123	/nfs/dbraw/zinc/85/91/23/571859123.db2.gz	YIYXZTVGDYDDSW-VIFPVBQESA-N	0	0	161.248	3.238	10	0		AGAERN
c1ccc(Cc2cccs2)cc1	6096692	571859185	/nfs/dbraw/zinc/85/91/85/571859185.db2.gz	VPGIYLLXBOUILV-UHFFFAOYSA-N	0	0	174.268	3.339	10	0		AGAERN
CC1=C[C@@H](C)C[C@]2(CCCC2=O)C1	38854122	571859198	/nfs/dbraw/zinc/85/91/98/571859198.db2.gz	SCCKEPWFQOEQET-BXKDBHETSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1ccc(Oc2cccnc2)cc1	38887026	571859237	/nfs/dbraw/zinc/85/92/37/571859237.db2.gz	XEVBKELBUKSBCX-UHFFFAOYSA-N	0	0	185.226	3.182	10	0		AGAERN
CC[C@]1(Cl)[C@@H](C)C1(C)C	138915803	571859241	/nfs/dbraw/zinc/85/92/41/571859241.db2.gz	LELZGEZWVGFKFC-XPUUQOCRSA-N	0	0	146.661	3.050	10	0		AGAERN
C1=COc2ccc3ccccc3c2C1	38880108	571859378	/nfs/dbraw/zinc/85/93/78/571859378.db2.gz	MEVMWRNRTAJXOW-UHFFFAOYSA-N	0	0	182.222	3.288	10	0		AGAERN
C[C@H](O)C1(CCC2CCCC2)CC1	300727560	571859380	/nfs/dbraw/zinc/85/93/80/571859380.db2.gz	DPJDOPGUJORAHR-JTQLQIEISA-N	0	0	182.307	3.118	10	0		AGAERN
c1cc2c3c(cccc3c1)SC2	6094960	571859403	/nfs/dbraw/zinc/85/94/03/571859403.db2.gz	IYDLVGAUNGFUNX-UHFFFAOYSA-N	0	0	172.252	3.446	10	0		AGAERN
Cc1nc2c(ccc3sccc32)[nH]1	6160701	571859423	/nfs/dbraw/zinc/85/94/23/571859423.db2.gz	MVHXTTHWQRRVCZ-UHFFFAOYSA-N	0	0	188.255	3.086	10	0		AGAERN
Cc1ccc2c(c1)[nH]c1cc[nH+]cc12	29062224	571859437	/nfs/dbraw/zinc/85/94/37/571859437.db2.gz	QTWOOHZREJHVJR-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
Cc1cc(C(C)(C)C)cc(O)c1C	6069960	571859880	/nfs/dbraw/zinc/85/98/80/571859880.db2.gz	MFGVECVSIDQTGH-UHFFFAOYSA-N	0	0	178.275	3.307	10	0		AGAERN
Cc1ccc2c(c1)NCCCCS2	38873277	571860837	/nfs/dbraw/zinc/86/08/37/571860837.db2.gz	VJKCMRZXCJTVRJ-UHFFFAOYSA-N	0	0	193.315	3.293	10	0		AGAERN
CC[C@@]1(Cl)[C@@H](C)C1(C)C	138915932	571860021	/nfs/dbraw/zinc/86/00/21/571860021.db2.gz	LELZGEZWVGFKFC-POYBYMJQSA-N	0	0	146.661	3.050	10	0		AGAERN
O=Cc1cccc(C2=C(F)CCC2)c1	38854827	571860063	/nfs/dbraw/zinc/86/00/63/571860063.db2.gz	UXACNZAQSBHVJT-UHFFFAOYSA-N	0	0	190.217	3.364	10	0		AGAERN
Cl/C=C\CC/C=C/Cl	111374320	571860120	/nfs/dbraw/zinc/86/01/20/571860120.db2.gz	KZSQSHDPERNPBZ-CIIODKQPSA-N	0	0	151.036	3.272	10	0		AGAERN
Cl/C=C\CC/C=C\Cl	111374318	571860207	/nfs/dbraw/zinc/86/02/07/571860207.db2.gz	KZSQSHDPERNPBZ-GLIMQPGKSA-N	0	0	151.036	3.272	10	0		AGAERN
CC(C)=C[C@@H](C)[NH2+]Cc1ccccc1	38866030	571860274	/nfs/dbraw/zinc/86/02/74/571860274.db2.gz	HQJKTFKSYXXBCC-GFCCVEGCSA-N	0	0	189.302	3.131	10	0		AGAERN
Cl/C=C\C=C\C=C\Cl	111374863	571861305	/nfs/dbraw/zinc/86/13/05/571861305.db2.gz	GJACSAMFFJCNDX-PDADCAGHSA-N	0	0	149.020	3.048	10	0		AGAERN
CC1=C[C@H](C)C[C@]2(CCCC2=O)C1	38854119	571860496	/nfs/dbraw/zinc/86/04/96/571860496.db2.gz	SCCKEPWFQOEQET-JOYOIKCWSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1ccc(C(C)(C)C)c(O)c1C	6070727	571860511	/nfs/dbraw/zinc/86/05/11/571860511.db2.gz	SIINAHBZNVOMMM-UHFFFAOYSA-N	0	0	178.275	3.307	10	0		AGAERN
CC(C)=C[C@H](C)[NH2+]Cc1ccccc1	38866028	571861317	/nfs/dbraw/zinc/86/13/17/571861317.db2.gz	HQJKTFKSYXXBCC-LBPRGKRZSA-N	0	0	189.302	3.131	10	0		AGAERN
CCCCC/C=C\Br	111380246	571860591	/nfs/dbraw/zinc/86/05/91/571860591.db2.gz	XNCAEAZUROUZKT-SREVYHEPSA-N	0	0	177.085	3.475	10	0		AGAERN
Cl/C=C\C=C(Cl)Cl	111379298	571860600	/nfs/dbraw/zinc/86/06/00/571860600.db2.gz	PUFQCNYOVQTFSS-IWQZZHSRSA-N	0	0	157.427	3.058	10	0		AGAERN
CC1=C[C@H](C)C[C@@]2(CCCC2=O)C1	38854114	571860718	/nfs/dbraw/zinc/86/07/18/571860718.db2.gz	SCCKEPWFQOEQET-CABZTGNLSA-N	0	0	178.275	3.102	10	0		AGAERN
O=Cc1ccccc1CC1CCCC1	38880987	571860744	/nfs/dbraw/zinc/86/07/44/571860744.db2.gz	WNCFSOGVHWIQNY-UHFFFAOYSA-N	0	0	188.270	3.232	10	0		AGAERN
Cc1csc2sccc12	6072123	571860827	/nfs/dbraw/zinc/86/08/27/571860827.db2.gz	WXWSIAKSWKGSQX-UHFFFAOYSA-N	0	0	154.259	3.271	10	0		AGAERN
O=Cc1ccc(CC2CCCC2)cc1	38880989	571861380	/nfs/dbraw/zinc/86/13/80/571861380.db2.gz	HPRQXUGJVLNHTE-UHFFFAOYSA-N	0	0	188.270	3.232	10	0		AGAERN
CCCc1ccc2ccc(C)cn12	196111373	571861406	/nfs/dbraw/zinc/86/14/06/571861406.db2.gz	JLOWUOHFHDKTNZ-UHFFFAOYSA-N	0	0	173.259	3.200	10	0		AGAERN
ONc1cccc(-c2ccccc2)c1	6116761	571861478	/nfs/dbraw/zinc/86/14/78/571861478.db2.gz	XJKZOAGQMDVYBE-UHFFFAOYSA-N	0	0	185.226	3.155	10	0		AGAERN
CCC[C@](C)(c1ccccc1)[C@@H](C)O	144625284	571861517	/nfs/dbraw/zinc/86/15/17/571861517.db2.gz	OPBXCCLMRSZJOV-YPMHNXCESA-N	0	0	192.302	3.125	10	0		AGAERN
Cc1ccccc1C=C(F)F	138942969	571861597	/nfs/dbraw/zinc/86/15/97/571861597.db2.gz	SOXULKLRNRZDKU-UHFFFAOYSA-N	0	0	154.159	3.232	10	0		AGAERN
CC[C@@]1(Cl)[C@H](C)C1(C)C	138915683	571861710	/nfs/dbraw/zinc/86/17/10/571861710.db2.gz	LELZGEZWVGFKFC-HTRCEHHLSA-N	0	0	146.661	3.050	10	0		AGAERN
C[C@H]1C[C@H](C)c2ccccc2C1=O	38890584	571862051	/nfs/dbraw/zinc/86/20/51/571862051.db2.gz	FEIQNGGEDGOZJI-IUCAKERBSA-N	0	0	174.243	3.013	10	0		AGAERN
CCCCC[C@@H]1C[C@H]1C/C=C\CO	144583130	571862338	/nfs/dbraw/zinc/86/23/38/571862338.db2.gz	XHYRDXCRUCFCAR-GKKDLHFNSA-N	0	0	182.307	3.141	10	0		AGAERN
CC[C@@H]1CCNc2c(C)cccc2N1	233935220	571862566	/nfs/dbraw/zinc/86/25/66/571862566.db2.gz	JNCKURFLSPJJON-SNVBAGLBSA-N	0	0	190.290	3.001	10	0		AGAERN
C[C@@H]1C[C@@H](C)c2ccccc2C1=O	38890587	571862614	/nfs/dbraw/zinc/86/26/14/571862614.db2.gz	FEIQNGGEDGOZJI-RKDXNWHRSA-N	0	0	174.243	3.013	10	0		AGAERN
C/C=C/CC[C@@H]1CCCCC1=O	38916127	571862707	/nfs/dbraw/zinc/86/27/07/571862707.db2.gz	UVUMDYLLZYHGCJ-VMZHVLLKSA-N	0	0	166.264	3.102	10	0		AGAERN
CCC(=O)C1(CC)CCCCC1	138978202	571862777	/nfs/dbraw/zinc/86/27/77/571862777.db2.gz	PBFKTFSLFZJTNP-UHFFFAOYSA-N	0	0	168.280	3.326	10	0		AGAERN
Cc1cccc(C)c1C=Cc1c[nH]cn1	111438870	571862974	/nfs/dbraw/zinc/86/29/74/571862974.db2.gz	CEJIOWSNAMQKOC-SREVYHEPSA-N	0	0	198.269	3.197	10	0		AGAERN
CC(C)c1cc2c(o1)CCCC2	38949243	571863130	/nfs/dbraw/zinc/86/31/30/571863130.db2.gz	HSGSSUMWHNJZMP-UHFFFAOYSA-N	0	0	164.248	3.282	10	0		AGAERN
Cc1cc(=S)cc(C)s1	38888241	571863156	/nfs/dbraw/zinc/86/31/56/571863156.db2.gz	FOLKHVLRCROMNZ-UHFFFAOYSA-N	0	0	156.275	3.094	10	0		AGAERN
COc1ccc2[nH]c(C(C)C)cc2c1	38916583	571863269	/nfs/dbraw/zinc/86/32/69/571863269.db2.gz	NWCQRINPYALBHU-UHFFFAOYSA-N	0	0	189.258	3.300	10	0		AGAERN
CCC/C=C\C[C@@H]1CCCC1=O	111422712	571863317	/nfs/dbraw/zinc/86/33/17/571863317.db2.gz	XXQYRQXKTWEIFQ-UMCURTJPSA-N	0	0	166.264	3.102	10	0		AGAERN
C[C@H]1C[C@@H](C)c2ccccc2C1=O	38890582	571863323	/nfs/dbraw/zinc/86/33/23/571863323.db2.gz	FEIQNGGEDGOZJI-BDAKNGLRSA-N	0	0	174.243	3.013	10	0		AGAERN
Cc1cccc(F)c1OC(C)(C)C	144743965	571863608	/nfs/dbraw/zinc/86/36/08/571863608.db2.gz	LTXNNFWBWUFJJQ-UHFFFAOYSA-N	0	0	182.238	3.311	10	0		AGAERN
CC(C)[C@@H](O)c1occ2ccccc12	139003489	571863853	/nfs/dbraw/zinc/86/38/53/571863853.db2.gz	AAQAKBPFYXNJMO-LLVKDONJSA-N	0	0	190.242	3.122	10	0		AGAERN
C[C@H]1C[C@@H](C)C(=O)c2ccccc21	38890589	571864082	/nfs/dbraw/zinc/86/40/82/571864082.db2.gz	FEIQNGGEDGOZJI-DTWKUNHWSA-N	0	0	174.243	3.013	10	0		AGAERN
CC1=C[C@]2(C)CCCC(=O)[C@@H]2CC1	138991118	571864169	/nfs/dbraw/zinc/86/41/69/571864169.db2.gz	FPCVOYFRQWQVBC-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
C/C=C/CC[C@H]1CCCCC1=O	38916128	571864253	/nfs/dbraw/zinc/86/42/53/571864253.db2.gz	UVUMDYLLZYHGCJ-PBKGFPTLSA-N	0	0	166.264	3.102	10	0		AGAERN
COC(=O)[C@@H](C(C)C)C1CCCCC1	144650496	571864297	/nfs/dbraw/zinc/86/42/97/571864297.db2.gz	AMSAMWFRKIGTIK-NSHDSACASA-N	0	0	198.306	3.012	10	0		AGAERN
CC1=CC[C@H](C(C)C)C(=O)C1	100264791	571864434	/nfs/dbraw/zinc/86/44/34/571864434.db2.gz	SHDJVFIEQIJODV-SECBINFHSA-N	0	0	152.237	3.051	10	0		AGAERN
CC1=CC[C@@H](C(C)C)C(=O)C1	100264794	571864611	/nfs/dbraw/zinc/86/46/11/571864611.db2.gz	SHDJVFIEQIJODV-VIFPVBQESA-N	0	0	152.237	3.051	10	0		AGAERN
CC(C)[C@H]1CC[C@H](C)CC1=O	100264944	571864642	/nfs/dbraw/zinc/86/46/42/571864642.db2.gz	CCJSKHHLZKFPGH-DTWKUNHWSA-N	0	0	154.253	3.130	10	0		AGAERN
Cc1c(O)cc(Cl)c(Cl)c1C	38950560	571864692	/nfs/dbraw/zinc/86/46/92/571864692.db2.gz	NXNBMTYFHMFHQH-UHFFFAOYSA-N	0	0	191.057	3.316	10	0		AGAERN
CC(C)[C@@H]1CC[C@@H](C)CC1=O	100264947	571864708	/nfs/dbraw/zinc/86/47/08/571864708.db2.gz	CCJSKHHLZKFPGH-BDAKNGLRSA-N	0	0	154.253	3.130	10	0		AGAERN
CCCC(=O)[C@H](C)C1CCCC1	211706665	571864715	/nfs/dbraw/zinc/86/47/15/571864715.db2.gz	FBGKIMFPOSGKJM-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)[C@@H]1CC[C@H](C)CC1=O	100264948	571864872	/nfs/dbraw/zinc/86/48/72/571864872.db2.gz	CCJSKHHLZKFPGH-IUCAKERBSA-N	0	0	154.253	3.130	10	0		AGAERN
CCOC(=O)/C=C/C=C(\C)[C@@H](C)CC	300731354	571864887	/nfs/dbraw/zinc/86/48/87/571864887.db2.gz	FRKPSGHUBBNBHQ-LQRBKRAVSA-N	0	0	196.290	3.098	10	0		AGAERN
CC1=C(CO)C(C)(C)C(C)(C)C1(C)C	38974031	571865017	/nfs/dbraw/zinc/86/50/17/571865017.db2.gz	ARUBMCMKHJJVDG-UHFFFAOYSA-N	0	0	196.334	3.387	10	0		AGAERN
CC(C)[C@H](O)c1occ2ccccc12	139003404	571865129	/nfs/dbraw/zinc/86/51/29/571865129.db2.gz	AAQAKBPFYXNJMO-NSHDSACASA-N	0	0	190.242	3.122	10	0		AGAERN
CCC/C=C\C[C@H]1CCCC1=O	111422715	571865151	/nfs/dbraw/zinc/86/51/51/571865151.db2.gz	XXQYRQXKTWEIFQ-LWTINBJPSA-N	0	0	166.264	3.102	10	0		AGAERN
Oc1ccc(C2CCSCC2)cc1	38973959	571865101	/nfs/dbraw/zinc/86/51/01/571865101.db2.gz	AJRXFOPUHRHBDQ-UHFFFAOYSA-N	0	0	194.299	3.003	10	0		AGAERN
CC1=CCCCc2ccccc21	138981727	571865195	/nfs/dbraw/zinc/86/51/95/571865195.db2.gz	RCEOPVKCVUKPJJ-UHFFFAOYSA-N	0	0	158.244	3.426	10	0		AGAERN
C1CCC(CCNOC2CCCC2)C1	300732981	571865493	/nfs/dbraw/zinc/86/54/93/571865493.db2.gz	GGGMXRIZZPMGDV-UHFFFAOYSA-N	0	0	197.322	3.031	10	0		AGAERN
CCCC(=O)[C@@H](C)C1CCCC1	211706584	571865552	/nfs/dbraw/zinc/86/55/52/571865552.db2.gz	FBGKIMFPOSGKJM-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
FCSc1ccc2ccccc2n1	38950725	571865983	/nfs/dbraw/zinc/86/59/83/571865983.db2.gz	CCMUVQMXPAIGED-UHFFFAOYSA-N	0	0	193.246	3.254	10	0		AGAERN
CCOC(=O)/C=C/C=C(\C)[C@H](C)CC	300731353	571865990	/nfs/dbraw/zinc/86/59/90/571865990.db2.gz	FRKPSGHUBBNBHQ-DXLLLYIJSA-N	0	0	196.290	3.098	10	0		AGAERN
Oc1ccccc1CCC=C1CC1	38973373	571866001	/nfs/dbraw/zinc/86/60/01/571866001.db2.gz	DEUVOTUCXNKMPS-UHFFFAOYSA-N	0	0	174.243	3.045	10	0		AGAERN
C[C@@H]1CCCC(=O)c2ccccc21	139052725	571866103	/nfs/dbraw/zinc/86/61/03/571866103.db2.gz	QRHYLZDHIMGOFE-SECBINFHSA-N	0	0	174.243	3.157	10	0		AGAERN
CC(C)(C)Oc1ccc(F)c(F)c1	144706631	571866119	/nfs/dbraw/zinc/86/61/19/571866119.db2.gz	YHQCEKMFMSYPMM-UHFFFAOYSA-N	0	0	186.201	3.142	10	0		AGAERN
Cc1cccc(-c2cc(Cl)on2)c1	38950740	571866552	/nfs/dbraw/zinc/86/65/52/571866552.db2.gz	JKKNCTWVIYGILU-UHFFFAOYSA-N	0	0	193.633	3.303	10	0		AGAERN
CC(C)C[C@H](C)C[C@H]1CC[C@H](O)C1	300738052	571867041	/nfs/dbraw/zinc/86/70/41/571867041.db2.gz	ALXKNGPZCGIAHM-TUAOUCFPSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@H]1Cc2ccccc2NC1(C)C	38996007	571867163	/nfs/dbraw/zinc/86/71/63/571867163.db2.gz	ZBHHZYLYNZYQHB-VIFPVBQESA-N	0	0	175.275	3.069	10	0		AGAERN
CCC[C@H](CO)C[C@@H](C)CC(C)C	300736437	571867279	/nfs/dbraw/zinc/86/72/79/571867279.db2.gz	AECHPIZWQYDIQG-RYUDHWBXSA-N	0	0	186.339	3.467	10	0		AGAERN
CC[C@@H]1C[C@H]1[C@@H](O)CC(C)(C)C(C)C	713127548	571867301	/nfs/dbraw/zinc/86/73/01/571867301.db2.gz	IJOCDKNKVJMNNB-UTUOFQBUSA-N	0	0	198.350	3.466	10	0		AGAERN
COc1cccc2sc(C)cc12	38996076	571867319	/nfs/dbraw/zinc/86/73/19/571867319.db2.gz	MRJRPLSIILCKMW-UHFFFAOYSA-N	0	0	178.256	3.218	10	0		AGAERN
CCC[C@@H](CO)C[C@H](C)CC(C)C	300736440	571867394	/nfs/dbraw/zinc/86/73/94/571867394.db2.gz	AECHPIZWQYDIQG-VXGBXAGGSA-N	0	0	186.339	3.467	10	0		AGAERN
CC(=O)c1ccc2ccc(F)cc2c1	38996324	571867429	/nfs/dbraw/zinc/86/74/29/571867429.db2.gz	UXFZUFVOHYDZLR-UHFFFAOYSA-N	0	0	188.201	3.182	10	0		AGAERN
CC[C@@H]1C[C@@H]1[C@@H](O)CC(C)(C)C(C)C	713127549	571867479	/nfs/dbraw/zinc/86/74/79/571867479.db2.gz	IJOCDKNKVJMNNB-WOPDTQHZSA-N	0	0	198.350	3.466	10	0		AGAERN
C[C@H]1CCCC(=O)c2ccccc21	139052818	571867667	/nfs/dbraw/zinc/86/76/67/571867667.db2.gz	QRHYLZDHIMGOFE-VIFPVBQESA-N	0	0	174.243	3.157	10	0		AGAERN
CCCCNc1c[nH]c2ccccc12	139047182	571867686	/nfs/dbraw/zinc/86/76/86/571867686.db2.gz	KBMVHFXETFOUDP-UHFFFAOYSA-N	0	0	188.274	3.380	10	0		AGAERN
CCC[C@H](CO)C[C@H](C)CC(C)C	300736431	571867731	/nfs/dbraw/zinc/86/77/31/571867731.db2.gz	AECHPIZWQYDIQG-NEPJUHHUSA-N	0	0	186.339	3.467	10	0		AGAERN
CN(C)c1ccc(C(C)(C)C)c(F)c1	144794816	571867834	/nfs/dbraw/zinc/86/78/34/571867834.db2.gz	MDFCMIUBDMVVSF-UHFFFAOYSA-N	0	0	195.281	3.189	10	0		AGAERN
CC(C)C[C@H](C)C[C@H](C)[C@@H](C)O	300739512	571870094	/nfs/dbraw/zinc/87/00/94/571870094.db2.gz	ARHRAJHAQHBTCQ-GARJFASQSA-N	0	0	172.312	3.076	10	0		AGAERN
CC(C)C[C@H](C)C[C@H]1CC[C@@H](O)C1	300738047	571868073	/nfs/dbraw/zinc/86/80/73/571868073.db2.gz	ALXKNGPZCGIAHM-QJPTWQEYSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@@H]1Cc2ccccc2NC1(C)C	38996006	571868210	/nfs/dbraw/zinc/86/82/10/571868210.db2.gz	ZBHHZYLYNZYQHB-SECBINFHSA-N	0	0	175.275	3.069	10	0		AGAERN
CC(C)C[C@H](C)CNc1nccs1	300736879	571868365	/nfs/dbraw/zinc/86/83/65/571868365.db2.gz	AGEQTQBFALUXJE-VIFPVBQESA-N	0	0	198.335	3.237	10	0		AGAERN
Cc1cccc2nn(C(C)(C)C)cc12	205406515	571868430	/nfs/dbraw/zinc/86/84/30/571868430.db2.gz	RTRDUWPRIZJFKE-UHFFFAOYSA-N	0	0	188.274	3.100	10	0		AGAERN
CC(C)C[C@@H](C)CNc1nccs1	300736876	571868526	/nfs/dbraw/zinc/86/85/26/571868526.db2.gz	AGEQTQBFALUXJE-SECBINFHSA-N	0	0	198.335	3.237	10	0		AGAERN
CCOC(=O)/C=C/C=C(\C)CC(C)C	300738093	571868549	/nfs/dbraw/zinc/86/85/49/571868549.db2.gz	HRBGMGHIUHACNM-JMFBPXTISA-N	0	0	196.290	3.098	10	0		AGAERN
CC(C)(Cl)c1cccs1	39017391	571868810	/nfs/dbraw/zinc/86/88/10/571868810.db2.gz	UAOXJEZWJPRACU-UHFFFAOYSA-N	0	0	160.669	3.222	10	0		AGAERN
CCC[C@@H](CO)C[C@@H](C)CC(C)C	300736434	571868903	/nfs/dbraw/zinc/86/89/03/571868903.db2.gz	AECHPIZWQYDIQG-NWDGAFQWSA-N	0	0	186.339	3.467	10	0		AGAERN
C[C@@H](CCC1CCCC1)C[C@@H](C)O	300735910	571868912	/nfs/dbraw/zinc/86/89/12/571868912.db2.gz	HDWWYSKVWBPAGF-WDEREUQCSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H](O)C[C@H](C)CCC1CCCC1	300735908	571868963	/nfs/dbraw/zinc/86/89/63/571868963.db2.gz	HDWWYSKVWBPAGF-MNOVXSKESA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1cc(C)c2occc2c1C	39017388	571869025	/nfs/dbraw/zinc/86/90/25/571869025.db2.gz	UVBVZHLMRWLMAU-UHFFFAOYSA-N	0	0	160.216	3.358	10	0		AGAERN
OCC[C@]12CCCC=C1CCCC2	38996134	571869039	/nfs/dbraw/zinc/86/90/39/571869039.db2.gz	KGJSIBRIPNGLRN-GFCCVEGCSA-N	0	0	180.291	3.040	10	0		AGAERN
OCC[C@@]12CCCC=C1CCCC2	38996133	571869057	/nfs/dbraw/zinc/86/90/57/571869057.db2.gz	KGJSIBRIPNGLRN-LBPRGKRZSA-N	0	0	180.291	3.040	10	0		AGAERN
C[C@H](O)C[C@@H](C)CCC1CCCC1	300735909	571869449	/nfs/dbraw/zinc/86/94/49/571869449.db2.gz	HDWWYSKVWBPAGF-QWRGUYRKSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1cc(O)c(C(C)C)c(Cl)c1	6521561	571869588	/nfs/dbraw/zinc/86/95/88/571869588.db2.gz	RPTBHWFXUBPYRT-UHFFFAOYSA-N	0	0	184.666	3.477	10	0		AGAERN
Clc1cccc(-c2cc[nH]c2)c1	196135111	571870235	/nfs/dbraw/zinc/87/02/35/571870235.db2.gz	NIHIBFROJBUVCR-UHFFFAOYSA-N	0	0	177.634	3.335	10	0		AGAERN
CCC(=O)c1cc(C)ccc1CC	39038648	571870504	/nfs/dbraw/zinc/87/05/04/571870504.db2.gz	BOCRUEXSSBYIFU-UHFFFAOYSA-N	0	0	176.259	3.150	10	0		AGAERN
CC/C=C\C/C=C\CCCOCOC	713785744	571870536	/nfs/dbraw/zinc/87/05/36/571870536.db2.gz	DUYBUSGGPUTDQY-UTOQUPLUSA-N	0	0	198.306	3.300	10	0		AGAERN
CC(C)C[C@H](C)C[C@H](C)[C@H](C)O	300739510	571870582	/nfs/dbraw/zinc/87/05/82/571870582.db2.gz	ARHRAJHAQHBTCQ-DCAQKATOSA-N	0	0	172.312	3.076	10	0		AGAERN
CCC(CC)[C@]1(O)C[C@H]2CC[C@H](C2)C1	711036676	571871034	/nfs/dbraw/zinc/87/10/34/571871034.db2.gz	VJORGTRGBIKYRB-PTEHBNRSSA-N	0	0	196.334	3.364	10	0		AGAERN
CSc1cc2c(cc1Cl)NCC2	39018367	571871168	/nfs/dbraw/zinc/87/11/68/571871168.db2.gz	DBQMGUNMSRSHOS-UHFFFAOYSA-N	0	0	199.706	3.030	10	0		AGAERN
CC(C)C[C@H](C)C[C@@H](C)[C@H](C)O	300739508	571871471	/nfs/dbraw/zinc/87/14/71/571871471.db2.gz	ARHRAJHAQHBTCQ-AXFHLTTASA-N	0	0	172.312	3.076	10	0		AGAERN
Cc1c[nH]c2c1cnc1ccccc12	139067030	571871472	/nfs/dbraw/zinc/87/14/72/571871472.db2.gz	NCYZLJXDBAIIFM-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
CC(C)C(F)(F)C(C)(C)C	144881484	571871473	/nfs/dbraw/zinc/87/14/73/571871473.db2.gz	OQAWBSVENGVTJX-UHFFFAOYSA-N	0	0	150.212	3.324	10	0		AGAERN
CCCCn1cc(C)c(C)c1C	39038400	571871491	/nfs/dbraw/zinc/87/14/91/571871491.db2.gz	NFUYWYDQWVWTNT-UHFFFAOYSA-N	0	0	165.280	3.213	10	0		AGAERN
Cc1ccc(Cc2ccccc2)o1	39038549	571871549	/nfs/dbraw/zinc/87/15/49/571871549.db2.gz	SYTLHTWKVXPUKK-UHFFFAOYSA-N	0	0	172.227	3.179	10	0		AGAERN
Cl/C=C/Sc1ccccc1	39038571	571871646	/nfs/dbraw/zinc/87/16/46/571871646.db2.gz	VFVNQEUFXKOCNW-VOTSOKGWSA-N	0	0	170.664	3.489	10	0		AGAERN
CC(C)CCC1C[C@H](C)C(O)[C@@H](C)C1	139065442	571871898	/nfs/dbraw/zinc/87/18/98/571871898.db2.gz	IYCAAVOUGBNPPO-ZSVAQUKISA-N	0	0	198.350	3.466	10	0		AGAERN
Cc1cc2c3c([nH]c2s1)CCCC3	196129028	571872344	/nfs/dbraw/zinc/87/23/44/571872344.db2.gz	DLWDCTYGBVTRQK-UHFFFAOYSA-N	0	0	191.299	3.417	10	0		AGAERN
CN(C1=CCCC1)c1ccccc1	205426190	571872570	/nfs/dbraw/zinc/87/25/70/571872570.db2.gz	RAMNFTKKGHOHPJ-UHFFFAOYSA-N	0	0	173.259	3.191	10	0		AGAERN
CC1(C)CSC(=S)C1(C)C	29571802	571872722	/nfs/dbraw/zinc/87/27/22/571872722.db2.gz	CIGXROXOPFTWHF-UHFFFAOYSA-N	0	0	174.334	3.113	10	0		AGAERN
C[C@H]1C[C@H]1C(=O)CCC1CCCC1	300749900	571872869	/nfs/dbraw/zinc/87/28/69/571872869.db2.gz	KTFPQMZCURJLPF-GXSJLCMTSA-N	0	0	180.291	3.182	10	0		AGAERN
CC(C)=C1C(=S)Nc2ccccc21	6720815	571872989	/nfs/dbraw/zinc/87/29/89/571872989.db2.gz	GVMBDTYYNCPBNW-UHFFFAOYSA-N	0	0	189.283	3.233	10	0		AGAERN
CC[C@](C)(CO)CCC1CCCC1	300749052	571873020	/nfs/dbraw/zinc/87/30/20/571873020.db2.gz	KJWNHLNTZJSAIL-LBPRGKRZSA-N	0	0	184.323	3.365	10	0		AGAERN
CC[C@@](C)(CO)CCC1CCCC1	300749051	571873083	/nfs/dbraw/zinc/87/30/83/571873083.db2.gz	KJWNHLNTZJSAIL-GFCCVEGCSA-N	0	0	184.323	3.365	10	0		AGAERN
CC(C)(C)CCCC1(O)CCC1	300749635	571873625	/nfs/dbraw/zinc/87/36/25/571873625.db2.gz	FWHKYRBFVHKXPV-UHFFFAOYSA-N	0	0	170.296	3.118	10	0		AGAERN
Cc1cccc(Nc2ccc(O)cc2)c1	111936098	571873963	/nfs/dbraw/zinc/87/39/63/571873963.db2.gz	QYCSTVXNOIMUBN-UHFFFAOYSA-N	0	0	199.253	3.444	10	0		AGAERN
O[C@@H](CCC1CC1)CC1=CCCC1	400454949	571874648	/nfs/dbraw/zinc/87/46/48/571874648.db2.gz	QCJMZKXODHEZCI-LBPRGKRZSA-N	0	0	180.291	3.038	10	0		AGAERN
O=C(C1=C(O)CCC1)C(Cl)Cl	39055151	571874984	/nfs/dbraw/zinc/87/49/84/571874984.db2.gz	OOFNPYQVJIXRDT-UHFFFAOYSA-N	0	0	195.045	3.187	10	0		AGAERN
C[C@@H]1C[C@@H]1C(=O)CCC1CCCC1	300749902	571875016	/nfs/dbraw/zinc/87/50/16/571875016.db2.gz	KTFPQMZCURJLPF-KOLCDFICSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@H]1C[C@@H]1C(=O)CCC1CCCC1	300749905	571875275	/nfs/dbraw/zinc/87/52/75/571875275.db2.gz	KTFPQMZCURJLPF-ONGXEEELSA-N	0	0	180.291	3.182	10	0		AGAERN
C/C(Cl)=C/CNc1ccccc1	6854871	571875593	/nfs/dbraw/zinc/87/55/93/571875593.db2.gz	ZQCWTXVPTCDDBN-CLFYSBASSA-N	0	0	181.666	3.241	10	0		AGAERN
O=C(CCC1CCCCC1)C(F)F	300750255	571876193	/nfs/dbraw/zinc/87/61/93/571876193.db2.gz	KVRMYIGARRPHHY-UHFFFAOYSA-N	0	0	190.233	3.181	10	0		AGAERN
C[C@@H](O)[C@H](C)CCCC(C)(C)C	300746081	571876338	/nfs/dbraw/zinc/87/63/38/571876338.db2.gz	CSRCBPUHHPVIMK-NXEZZACHSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@H](CO)CCC1CCCC1	300750346	571876389	/nfs/dbraw/zinc/87/63/89/571876389.db2.gz	KXPBJOBOHUMPGC-LBPRGKRZSA-N	0	0	184.323	3.365	10	0		AGAERN
C[C@@H](CCCC(C)(C)C)[C@@H](C)O	300746084	571876415	/nfs/dbraw/zinc/87/64/15/571876415.db2.gz	CSRCBPUHHPVIMK-VHSXEESVSA-N	0	0	172.312	3.220	10	0		AGAERN
CC1=CCCC(C)(C)[C@H]1/C=C\[C@H](C)O	220826325	571876611	/nfs/dbraw/zinc/87/66/11/571876611.db2.gz	PWDOJWCZWKWKSE-XPOJSHTGSA-N	0	0	194.318	3.306	10	0		AGAERN
C[C@H](O)[C@@H](C)CCCC(C)(C)C	300746083	571876665	/nfs/dbraw/zinc/87/66/65/571876665.db2.gz	CSRCBPUHHPVIMK-UWVGGRQHSA-N	0	0	172.312	3.220	10	0		AGAERN
C[C@@H](C1CC1)[C@@H](O)CCC1CCCC1	300746275	571876888	/nfs/dbraw/zinc/87/68/88/571876888.db2.gz	JMPVIEDKWNHDCA-GWCFXTLKSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC[C@@H](CO)CCC1CCCC1	300750342	571877150	/nfs/dbraw/zinc/87/71/50/571877150.db2.gz	KXPBJOBOHUMPGC-GFCCVEGCSA-N	0	0	184.323	3.365	10	0		AGAERN
C[C@H](O)[C@H](C)CCCC(C)(C)C	300746085	571877218	/nfs/dbraw/zinc/87/72/18/571877218.db2.gz	CSRCBPUHHPVIMK-ZJUUUORDSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCCC(=O)[C@@H](C)CSC	300745608	571877533	/nfs/dbraw/zinc/87/75/33/571877533.db2.gz	CPRPMKHDDUROPS-VIFPVBQESA-N	0	0	188.336	3.135	10	0		AGAERN
C[C@H](C1CC1)[C@@H](O)CCC1CCCC1	300746277	571877680	/nfs/dbraw/zinc/87/76/80/571877680.db2.gz	JMPVIEDKWNHDCA-MFKMUULPSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1(C(=O)CCC2CCCC2)CC1	300742766	571877684	/nfs/dbraw/zinc/87/76/84/571877684.db2.gz	IUWDRXDGMGJCDK-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
CC[C@@H]1CC[C@](O)(C2=CCCCC2)C1	233940322	571877693	/nfs/dbraw/zinc/87/76/93/571877693.db2.gz	DAVGJHPNEKEYHQ-DGCLKSJQSA-N	0	0	194.318	3.428	10	0		AGAERN
CCCCCC(=O)[C@H](C)CSC	300745606	571877771	/nfs/dbraw/zinc/87/77/71/571877771.db2.gz	CPRPMKHDDUROPS-SECBINFHSA-N	0	0	188.336	3.135	10	0		AGAERN
CCC/C=C\CC(C)(C)C(C)=O	213893719	571877820	/nfs/dbraw/zinc/87/78/20/571877820.db2.gz	BRSVSYJUDLSREX-FPLPWBNLSA-N	0	0	168.280	3.348	10	0		AGAERN
C[C@@H](O)CCCC1CCCCC1	70770566	571881146	/nfs/dbraw/zinc/88/11/46/571881146.db2.gz	RSKOXWMBNZQRAN-SNVBAGLBSA-N	0	0	170.296	3.118	10	0		AGAERN
CCCC/C(C)=C\[C@@H](O)C(F)(F)F	207130449	571878401	/nfs/dbraw/zinc/87/84/01/571878401.db2.gz	BCFIJOFFWSBSAB-NFXKFNAJSA-N	0	0	196.212	3.046	10	0		AGAERN
CCCCc1cccc(OC)c1	2579405	571878499	/nfs/dbraw/zinc/87/84/99/571878499.db2.gz	MBSSCIJIRKKVFU-UHFFFAOYSA-N	0	0	164.248	3.038	10	0		AGAERN
C[C@@H]1C[C@H]1[C@@H](O)CCC1CCCCC1	300751605	571878546	/nfs/dbraw/zinc/87/85/46/571878546.db2.gz	LHLVOFGAFVBQNQ-RTXFEEFZSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@@H]1C[C@@H]1[C@@H](O)CCC1CCCCC1	300751607	571878953	/nfs/dbraw/zinc/87/89/53/571878953.db2.gz	LHLVOFGAFVBQNQ-WXHSDQCUSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)C(=O)CCCCc1ccco1	41206700	571879051	/nfs/dbraw/zinc/87/90/51/571879051.db2.gz	MECJGKCCDWAPDO-UHFFFAOYSA-N	0	0	194.274	3.218	10	0		AGAERN
C[C@@H]1C[C@H]1[C@H](O)CCC1CCCCC1	300751603	571879227	/nfs/dbraw/zinc/87/92/27/571879227.db2.gz	LHLVOFGAFVBQNQ-RAIGVLPGSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(=O)[C@@H]1CC(C(C)C)=CC=C1C	205510240	571880091	/nfs/dbraw/zinc/88/00/91/571880091.db2.gz	ZULYBNXJIBDZLB-GFCCVEGCSA-N	0	0	178.275	3.124	10	0		AGAERN
CC(=O)[C@H]1CC(C(C)C)=CC=C1C	205510227	571880146	/nfs/dbraw/zinc/88/01/46/571880146.db2.gz	ZULYBNXJIBDZLB-LBPRGKRZSA-N	0	0	178.275	3.124	10	0		AGAERN
C/C=C/c1cc(OC)c(C)cc1OC	39074977	571880492	/nfs/dbraw/zinc/88/04/92/571880492.db2.gz	WFGVENXCFFYSTH-AATRIKPKSA-N	0	0	192.258	3.045	10	0		AGAERN
CC1([C@H](O)CCC2CCCC2)CC1	300757228	571880573	/nfs/dbraw/zinc/88/05/73/571880573.db2.gz	MWOAAXVKMGPWAZ-LLVKDONJSA-N	0	0	182.307	3.118	10	0		AGAERN
OCC1(CCC2CCCCC2)CC1	300754979	571880781	/nfs/dbraw/zinc/88/07/81/571880781.db2.gz	MEVUSFXXRMQOTL-UHFFFAOYSA-N	0	0	182.307	3.119	10	0		AGAERN
CNc1cccnc1C1=CCCCC1	39074879	571881658	/nfs/dbraw/zinc/88/16/58/571881658.db2.gz	NKAIJTVNFOBROA-UHFFFAOYSA-N	0	0	188.274	3.081	10	0		AGAERN
CCC[C@](C)(O)C[C@H](C)CC(F)F	687875109	571880927	/nfs/dbraw/zinc/88/09/27/571880927.db2.gz	CJROYXFRLSQYME-SCZZXKLOSA-N	0	0	194.265	3.219	10	0		AGAERN
C[C@H](O)CCCC1CCCCC1	70770562	571881101	/nfs/dbraw/zinc/88/11/01/571881101.db2.gz	RSKOXWMBNZQRAN-JTQLQIEISA-N	0	0	170.296	3.118	10	0		AGAERN
Cc1ccc(-c2ccccc2)o1	38282187	571881208	/nfs/dbraw/zinc/88/12/08/571881208.db2.gz	PQYQNYWJAXBMEL-UHFFFAOYSA-N	0	0	158.200	3.255	10	0		AGAERN
C/C(=C\Sc1ccccc1)[C@H](C)O	39075082	571881349	/nfs/dbraw/zinc/88/13/49/571881349.db2.gz	BNUOYQCNPINDLV-DDXVTDLHSA-N	0	0	194.299	3.063	10	0		AGAERN
C/C(=C\Sc1ccccc1)[C@@H](C)O	39075083	571881366	/nfs/dbraw/zinc/88/13/66/571881366.db2.gz	BNUOYQCNPINDLV-AAXQSMANSA-N	0	0	194.299	3.063	10	0		AGAERN
CCC(CC)(CO)CCCC(F)F	687874767	571881511	/nfs/dbraw/zinc/88/15/11/571881511.db2.gz	BCXIOMXZAQEOGS-UHFFFAOYSA-N	0	0	194.265	3.221	10	0		AGAERN
CCCCC/C=C\CC[C@H](C)O	34596571	571881513	/nfs/dbraw/zinc/88/15/13/571881513.db2.gz	ACLYYRRLHKOHAO-TVRMLOFPSA-N	0	0	170.296	3.284	10	0		AGAERN
CC1([C@@H](O)CCC2CCCC2)CC1	300757231	571882151	/nfs/dbraw/zinc/88/21/51/571882151.db2.gz	MWOAAXVKMGPWAZ-NSHDSACASA-N	0	0	182.307	3.118	10	0		AGAERN
CCCCCC[C@H](O)c1nccs1	39018364	571882349	/nfs/dbraw/zinc/88/23/49/571882349.db2.gz	BXYHWQFQNCZKBR-VIFPVBQESA-N	0	0	199.319	3.147	10	0		AGAERN
C[C@H](O)[C@H](C)CCC1CCCCC1	300755429	571882513	/nfs/dbraw/zinc/88/25/13/571882513.db2.gz	MJPOQSQTMIGHLL-MNOVXSKESA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@H](O)[C@H](C)CCC1CCCCC1	300755428	571882565	/nfs/dbraw/zinc/88/25/65/571882565.db2.gz	MJPOQSQTMIGHLL-GHMZBOCLSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H](O)[C@@H](C)CCC1CCCCC1	300755430	571882659	/nfs/dbraw/zinc/88/26/59/571882659.db2.gz	MJPOQSQTMIGHLL-QWRGUYRKSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@@](C)(O)C[C@H](C)CC(F)F	687875102	571882828	/nfs/dbraw/zinc/88/28/28/571882828.db2.gz	CJROYXFRLSQYME-PSASIEDQSA-N	0	0	194.265	3.219	10	0		AGAERN
CCC[C@@](C)(O)C[C@@H](C)CC(F)F	687875116	571882980	/nfs/dbraw/zinc/88/29/80/571882980.db2.gz	CJROYXFRLSQYME-WCBMZHEXSA-N	0	0	194.265	3.219	10	0		AGAERN
C[C@@H](CCC1CCCCC1)[C@@H](C)O	300755431	571883026	/nfs/dbraw/zinc/88/30/26/571883026.db2.gz	MJPOQSQTMIGHLL-WDEREUQCSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1nc(C(F)(F)F)ccc1Cl	113752000	571883293	/nfs/dbraw/zinc/88/32/93/571883293.db2.gz	FRLSSXGYFYMFPX-UHFFFAOYSA-N	0	0	195.571	3.062	10	0		AGAERN
c1ccc2c(c1)c1cccc3c1n2-3	39082167	571885070	/nfs/dbraw/zinc/88/50/70/571885070.db2.gz	QBUDAXBMKIXWSG-UHFFFAOYSA-N	0	0	165.195	3.097	10	0		AGAERN
CCC[C@@](C)(CO)CCCC(F)F	687875708	571885309	/nfs/dbraw/zinc/88/53/09/571885309.db2.gz	FYIJEYLPGHJWBX-SNVBAGLBSA-N	0	0	194.265	3.221	10	0		AGAERN
CC(C)C[C@H](CO)CCCC(F)F	687875303	571885415	/nfs/dbraw/zinc/88/54/15/571885415.db2.gz	DEWPLIUAHKUWHB-SECBINFHSA-N	0	0	194.265	3.076	10	0		AGAERN
CC[C@@H]1CC[C@@](O)(C2=CCCCC2)C1	233951895	571885418	/nfs/dbraw/zinc/88/54/18/571885418.db2.gz	DAVGJHPNEKEYHQ-YPMHNXCESA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)(C)[C@H](CO)CCCC(F)F	687875360	571886117	/nfs/dbraw/zinc/88/61/17/571886117.db2.gz	DMXPCPDOVNCLBS-QMMMGPOBSA-N	0	0	194.265	3.076	10	0		AGAERN
CCC[C@](C)(CO)CCCC(F)F	687875706	571886143	/nfs/dbraw/zinc/88/61/43/571886143.db2.gz	FYIJEYLPGHJWBX-JTQLQIEISA-N	0	0	194.265	3.221	10	0		AGAERN
CCC(O)(CC)C[C@H](C)CC(F)F	687875691	571886163	/nfs/dbraw/zinc/88/61/63/571886163.db2.gz	FUFRKBXXAMXCCF-MRVPVSSYSA-N	0	0	194.265	3.219	10	0		AGAERN
CC(C)C[C@@H](CO)CCCC(F)F	687875309	571886464	/nfs/dbraw/zinc/88/64/64/571886464.db2.gz	DEWPLIUAHKUWHB-VIFPVBQESA-N	0	0	194.265	3.076	10	0		AGAERN
CC(C)(C)[C@@H](CO)CCCC(F)F	687875359	571886469	/nfs/dbraw/zinc/88/64/69/571886469.db2.gz	DMXPCPDOVNCLBS-MRVPVSSYSA-N	0	0	194.265	3.076	10	0		AGAERN
Cc1cc(C)c(C(C)C)cc1N	39103887	571886751	/nfs/dbraw/zinc/88/67/51/571886751.db2.gz	OHMFCMGHUDJUTK-UHFFFAOYSA-N	0	0	163.264	3.009	10	0		AGAERN
CC(C)n1cccc2cccc1-2	39103590	571886996	/nfs/dbraw/zinc/88/69/96/571886996.db2.gz	IYQNGLQBIDGRIX-UHFFFAOYSA-N	0	0	159.232	3.174	10	0		AGAERN
CCC[C@](C)(O)C[C@@H](C)CC(F)F	687875120	571887288	/nfs/dbraw/zinc/88/72/88/571887288.db2.gz	CJROYXFRLSQYME-WPRPVWTQSA-N	0	0	194.265	3.219	10	0		AGAERN
CC(C)C[C@@H]1S[C@@H]1C(C)C	39103541	571887309	/nfs/dbraw/zinc/88/73/09/571887309.db2.gz	QNVBKGZOCPBZRI-DTWKUNHWSA-N	0	0	158.310	3.173	10	0		AGAERN
CCC(O)(CC)C[C@@H](C)CC(F)F	687875692	571887553	/nfs/dbraw/zinc/88/75/53/571887553.db2.gz	FUFRKBXXAMXCCF-QMMMGPOBSA-N	0	0	194.265	3.219	10	0		AGAERN
C[C@H](C(=O)CC1CC1)c1ccccc1	235410101	571887627	/nfs/dbraw/zinc/88/76/27/571887627.db2.gz	NOELBTQHRHXDKH-JTQLQIEISA-N	0	0	188.270	3.159	10	0		AGAERN
Cc1ccc(C(C)C)c(O)c1C	39103939	571887707	/nfs/dbraw/zinc/88/77/07/571887707.db2.gz	DTCVWQAPCDRBKX-UHFFFAOYSA-N	0	0	164.248	3.132	10	0		AGAERN
Cc1cc(C)c(C(C)C)cc1O	39103964	571888060	/nfs/dbraw/zinc/88/80/60/571888060.db2.gz	ZNPTYDKWMGSQRD-UHFFFAOYSA-N	0	0	164.248	3.132	10	0		AGAERN
CC(C)C[C@H]1S[C@@H]1C(C)C	39103540	571888457	/nfs/dbraw/zinc/88/84/57/571888457.db2.gz	QNVBKGZOCPBZRI-RKDXNWHRSA-N	0	0	158.310	3.173	10	0		AGAERN
CC(C)C[C@@H](O)C[C@@H](C)CC(F)F	687876939	571888630	/nfs/dbraw/zinc/88/86/30/571888630.db2.gz	KRZDCCRXCAEYCR-RKDXNWHRSA-N	0	0	194.265	3.075	10	0		AGAERN
C[C@H](CC(F)F)C[C@@H](O)C(C)(C)C	687879118	571897206	/nfs/dbraw/zinc/89/72/06/571897206.db2.gz	SBXIHJKPENWFLD-JGVFFNPUSA-N	0	0	194.265	3.075	10	0		AGAERN
CC(C)C[C@@H](C)[C@H](O)CC1(C)CC1	401236387	571888850	/nfs/dbraw/zinc/88/88/50/571888850.db2.gz	FWBQFIRKQIASSR-GHMZBOCLSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)(C)[C@H]1CC=C(CCO)CC1	196381905	571888929	/nfs/dbraw/zinc/88/89/29/571888929.db2.gz	JIKXCRREPXWGSE-NSHDSACASA-N	0	0	182.307	3.141	10	0		AGAERN
CC(C)C[C@H](O)C[C@H](C)CC(F)F	687876938	571888962	/nfs/dbraw/zinc/88/89/62/571888962.db2.gz	KRZDCCRXCAEYCR-IUCAKERBSA-N	0	0	194.265	3.075	10	0		AGAERN
CC[C@@H](C)c1cc(C(C)C)[nH]n1	39104070	571889022	/nfs/dbraw/zinc/88/90/22/571889022.db2.gz	LGBXQGUVHJRHAL-MRVPVSSYSA-N	0	0	166.268	3.047	10	0		AGAERN
CC(C)C[C@@H](O)C[C@H](C)CC(F)F	687876937	571889034	/nfs/dbraw/zinc/88/90/34/571889034.db2.gz	KRZDCCRXCAEYCR-DTWKUNHWSA-N	0	0	194.265	3.075	10	0		AGAERN
CC(C)C[C@@H](C)[C@@H](O)CC1(C)CC1	401236388	571889324	/nfs/dbraw/zinc/88/93/24/571889324.db2.gz	FWBQFIRKQIASSR-MNOVXSKESA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@H](C)[C@H](O)CC1(C)CC1	401236390	571889327	/nfs/dbraw/zinc/88/93/27/571889327.db2.gz	FWBQFIRKQIASSR-WDEREUQCSA-N	0	0	184.323	3.220	10	0		AGAERN
CC1=CO[C@H]2CCCc3occ1c32	39111320	571889388	/nfs/dbraw/zinc/88/93/88/571889388.db2.gz	VMKWOGWTCXYGOS-VIFPVBQESA-N	0	0	176.215	3.048	10	0		AGAERN
CC(C)C[C@H](O)C[C@@H](C)CC(F)F	687876936	571889741	/nfs/dbraw/zinc/88/97/41/571889741.db2.gz	KRZDCCRXCAEYCR-BDAKNGLRSA-N	0	0	194.265	3.075	10	0		AGAERN
CCC/C(=C\C(C)(C)C)CCO	34599251	571889837	/nfs/dbraw/zinc/88/98/37/571889837.db2.gz	MATGIPIMLSADDB-MDZDMXLPSA-N	0	0	170.296	3.141	10	0		AGAERN
CC[C@H](C)c1cc(C(C)C)[nH]n1	39104071	571890094	/nfs/dbraw/zinc/89/00/94/571890094.db2.gz	LGBXQGUVHJRHAL-QMMMGPOBSA-N	0	0	166.268	3.047	10	0		AGAERN
CC1=CO[C@@H]2CCCc3occ1c32	39111321	571890131	/nfs/dbraw/zinc/89/01/31/571890131.db2.gz	VMKWOGWTCXYGOS-SECBINFHSA-N	0	0	176.215	3.048	10	0		AGAERN
CC[C@]1(C(C)C)CCCC(=O)C1	39104248	571890297	/nfs/dbraw/zinc/89/02/97/571890297.db2.gz	VQVUXFQVYGSCJO-NSHDSACASA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)c1ccc(C(C)C)n1C	39104051	571890443	/nfs/dbraw/zinc/89/04/43/571890443.db2.gz	VCZKROWIUHDWAD-UHFFFAOYSA-N	0	0	165.280	3.272	10	0		AGAERN
CCCc1cc(C)c2c(c1O)CCC2	196386196	571890486	/nfs/dbraw/zinc/89/04/86/571890486.db2.gz	JXRPUERTRFSHFS-UHFFFAOYSA-N	0	0	190.286	3.142	10	0		AGAERN
CC[C@@]1(C(C)C)CCCC(=O)C1	39104249	571890524	/nfs/dbraw/zinc/89/05/24/571890524.db2.gz	VQVUXFQVYGSCJO-LLVKDONJSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)c1cc(O)cc2c1C=CC2	39104721	571890986	/nfs/dbraw/zinc/89/09/86/571890986.db2.gz	JZHTXFMPMDDELT-UHFFFAOYSA-N	0	0	174.243	3.085	10	0		AGAERN
CCCc1cc(O)c(C)c2c1CCC2	196386181	571891026	/nfs/dbraw/zinc/89/10/26/571891026.db2.gz	LUKYJYDLBWEJAL-UHFFFAOYSA-N	0	0	190.286	3.142	10	0		AGAERN
CC(C)C[C@H](C)[C@@H](O)CC1(C)CC1	401236389	571891051	/nfs/dbraw/zinc/89/10/51/571891051.db2.gz	FWBQFIRKQIASSR-QWRGUYRKSA-N	0	0	184.323	3.220	10	0		AGAERN
O=C1C2(CCCC2)CC12CCCC2	196381613	571891080	/nfs/dbraw/zinc/89/10/80/571891080.db2.gz	UDZDOGUHZFHGES-UHFFFAOYSA-N	0	0	178.275	3.080	10	0		AGAERN
CC(C)[C@@]1(O)C[C@H]2CC[C@]1(C)C2(C)C	39112532	571891353	/nfs/dbraw/zinc/89/13/53/571891353.db2.gz	WRYCEHHBLDISRG-RTXFEEFZSA-N	0	0	196.334	3.220	10	0		AGAERN
CC[C@H]1CC(C)=CC[C@@]12CCCC2=O	39112238	571891428	/nfs/dbraw/zinc/89/14/28/571891428.db2.gz	CETJGHKROKBFLC-AAEUAGOBSA-N	0	0	192.302	3.492	10	0		AGAERN
CC[C@@H]1CC(C)=CC[C@]12CCC[C@@H]2O	39112436	571891449	/nfs/dbraw/zinc/89/14/49/571891449.db2.gz	SLPJFYJCDVWMOT-FRRDWIJNSA-N	0	0	194.318	3.284	10	0		AGAERN
CC1=C[C@H](C)[C@@]2(CC1)CC[C@@H](C)C2=O	39112235	571891483	/nfs/dbraw/zinc/89/14/83/571891483.db2.gz	RTUWBMZXPWXKEI-NTZNESFSSA-N	0	0	192.302	3.348	10	0		AGAERN
CC[C@@H](C)[C@@H](F)C(=O)c1ccccc1	39055159	571891550	/nfs/dbraw/zinc/89/15/50/571891550.db2.gz	ZXBUAQSKMUQAMD-MWLCHTKSSA-N	0	0	194.249	3.254	10	0		AGAERN
CC(C)(C)Nc1ccc(N=O)cc1	39116756	571891559	/nfs/dbraw/zinc/89/15/59/571891559.db2.gz	UQJWZLFPIZDBMH-UHFFFAOYSA-N	0	0	178.235	3.295	10	0		AGAERN
Cc1ccccc1-c1cccn1C	139150698	571892654	/nfs/dbraw/zinc/89/26/54/571892654.db2.gz	DCLINNOYNDJDTL-UHFFFAOYSA-N	0	0	171.243	3.001	10	0		AGAERN
CCS[C@H](C)OCc1ccccc1	196393381	571891645	/nfs/dbraw/zinc/89/16/45/571891645.db2.gz	VLIBNIYPYFHNAQ-SNVBAGLBSA-N	0	0	196.315	3.302	10	0		AGAERN
CCS[C@@H](C)OCc1ccccc1	196393373	571892077	/nfs/dbraw/zinc/89/20/77/571892077.db2.gz	VLIBNIYPYFHNAQ-JTQLQIEISA-N	0	0	196.315	3.302	10	0		AGAERN
CC[C@H](C)[C@@H](F)C(=O)c1ccccc1	39055158	571892274	/nfs/dbraw/zinc/89/22/74/571892274.db2.gz	ZXBUAQSKMUQAMD-GXSJLCMTSA-N	0	0	194.249	3.254	10	0		AGAERN
CC[C@@H]1CC=C[C@@H](C)[C@@]12CCCC2=O	39112243	571892448	/nfs/dbraw/zinc/89/24/48/571892448.db2.gz	VGKTWDYMGFEXOB-WZRBSPASSA-N	0	0	192.302	3.348	10	0		AGAERN
CC[C@@H]1CC(C)=CC[C@@]12CCC[C@@H]2O	39112434	571892462	/nfs/dbraw/zinc/89/24/62/571892462.db2.gz	SLPJFYJCDVWMOT-AGIUHOORSA-N	0	0	194.318	3.284	10	0		AGAERN
CC1=C[C@H](C)[C@]2(CC1)CC[C@@H](C)C2=O	39112233	571892524	/nfs/dbraw/zinc/89/25/24/571892524.db2.gz	RTUWBMZXPWXKEI-MDZLAQPJSA-N	0	0	192.302	3.348	10	0		AGAERN
CC(=O)[C@@H]1CC=C2CCCC[C@H]2C1	139147827	571892525	/nfs/dbraw/zinc/89/25/25/571892525.db2.gz	URZBCOSJAUGMIK-NEPJUHHUSA-N	0	0	178.275	3.102	10	0		AGAERN
CCC1=NC(C)(C)CC2(CCCC2)O1	39112501	571892542	/nfs/dbraw/zinc/89/25/42/571892542.db2.gz	BBPJWYTXXZNHMQ-UHFFFAOYSA-N	0	0	195.306	3.307	10	0		AGAERN
CC[C@@H]1CC(C)=CC[C@]12CCCC2=O	39112239	571892913	/nfs/dbraw/zinc/89/29/13/571892913.db2.gz	CETJGHKROKBFLC-DGCLKSJQSA-N	0	0	192.302	3.492	10	0		AGAERN
CC1=C[C@H](C)[C@@]2(CC1)CC[C@H](C)C2=O	39112236	571893166	/nfs/dbraw/zinc/89/31/66/571893166.db2.gz	RTUWBMZXPWXKEI-GMXVVIOVSA-N	0	0	192.302	3.348	10	0		AGAERN
CC(=O)[C@H]1CC=C2CCCC[C@H]2C1	139147940	571893264	/nfs/dbraw/zinc/89/32/64/571893264.db2.gz	URZBCOSJAUGMIK-RYUDHWBXSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)=CCCc1ccc(O)cc1	39116626	571893276	/nfs/dbraw/zinc/89/32/76/571893276.db2.gz	PBVKHACPAVBXHD-UHFFFAOYSA-N	0	0	176.259	3.291	10	0		AGAERN
CC1=C[C@H](C)[C@]2(CC1)CC[C@H](C)C2=O	39112234	571893406	/nfs/dbraw/zinc/89/34/06/571893406.db2.gz	RTUWBMZXPWXKEI-GVXVVHGQSA-N	0	0	192.302	3.348	10	0		AGAERN
CSCC(=O)CCCC(C)(C)C	300762547	571893458	/nfs/dbraw/zinc/89/34/58/571893458.db2.gz	NDAMMJQMBSVIOZ-UHFFFAOYSA-N	0	0	188.336	3.135	10	0		AGAERN
CCC[C@@H](CC)Nc1ccnc(F)c1	227643185	571899424	/nfs/dbraw/zinc/89/94/24/571899424.db2.gz	BLGVJLJLRJHLFI-SECBINFHSA-N	0	0	196.269	3.211	10	0		AGAERN
CC(=O)[C@@H]1CC=C2CCCC[C@@H]2C1	139147570	571893918	/nfs/dbraw/zinc/89/39/18/571893918.db2.gz	URZBCOSJAUGMIK-VXGBXAGGSA-N	0	0	178.275	3.102	10	0		AGAERN
CCOc1cc2cc[nH]c2cc1Cl	39117480	571894063	/nfs/dbraw/zinc/89/40/63/571894063.db2.gz	HIBNFSXNXVRUOF-UHFFFAOYSA-N	0	0	195.649	3.220	10	0		AGAERN
CCCCn1ccccc1=S	39124642	571894094	/nfs/dbraw/zinc/89/40/94/571894094.db2.gz	ZVNSFBXJPWSLJN-UHFFFAOYSA-N	0	0	167.277	3.018	10	0		AGAERN
O[C@@H](C(F)=C(F)F)C1CCCCC1	39117370	571894103	/nfs/dbraw/zinc/89/41/03/571894103.db2.gz	LQAOTNVIMIPDSC-MRVPVSSYSA-N	0	0	194.196	3.005	10	0		AGAERN
CCc1cccc2c(OC)cccc12	39119963	571894190	/nfs/dbraw/zinc/89/41/90/571894190.db2.gz	QCRBTWAYYFGTPE-UHFFFAOYSA-N	0	0	186.254	3.411	10	0		AGAERN
C=C/C(=C/NC(C)=O)CCCCCC	100292599	571899483	/nfs/dbraw/zinc/89/94/83/571899483.db2.gz	DZSPHZDIBSXVLV-BENRWUELSA-N	0	0	195.306	3.163	10	0		AGAERN
O[C@H](C(F)=C(F)F)C1CCCCC1	39117368	571894509	/nfs/dbraw/zinc/89/45/09/571894509.db2.gz	LQAOTNVIMIPDSC-QMMMGPOBSA-N	0	0	194.196	3.005	10	0		AGAERN
CCCC[C@H](O)c1ccc(Cl)o1	300059768	571894544	/nfs/dbraw/zinc/89/45/44/571894544.db2.gz	UUWMEEMWZLOKQX-ZETCQYMHSA-N	0	0	188.654	3.157	10	0		AGAERN
COc1ccc2c(c1)[C@H](C)CCCN2	196396834	571894783	/nfs/dbraw/zinc/89/47/83/571894783.db2.gz	SEYRYNNPAYFZCL-SECBINFHSA-N	0	0	191.274	3.004	10	0		AGAERN
S=c1[nH]cc(C2=CCCCC2)[nH]1	39132857	571899550	/nfs/dbraw/zinc/89/95/50/571899550.db2.gz	FBRIQEWTOAFYQN-UHFFFAOYSA-N	0	0	180.276	3.030	10	0		AGAERN
COc1ccc2c(c1)[C@@H](C)CCCN2	196396842	571895759	/nfs/dbraw/zinc/89/57/59/571895759.db2.gz	SEYRYNNPAYFZCL-VIFPVBQESA-N	0	0	191.274	3.004	10	0		AGAERN
Cc1ccc(OCCC(C)C)cc1N	32008797	571896323	/nfs/dbraw/zinc/89/63/23/571896323.db2.gz	GGLSVSJBUPIIPY-UHFFFAOYSA-N	0	0	193.290	3.002	10	0		AGAERN
C[C@@H](CC(F)F)C[C@@H](O)C(C)(C)C	687879117	571896642	/nfs/dbraw/zinc/89/66/42/571896642.db2.gz	SBXIHJKPENWFLD-HTQZYQBOSA-N	0	0	194.265	3.075	10	0		AGAERN
CCCCC[C@](C)(O)CC1CC1	229745112	571896800	/nfs/dbraw/zinc/89/68/00/571896800.db2.gz	WCPUCYARZKCPKI-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
C[C@@H](CC(F)F)C[C@H](O)C(C)(C)C	687879119	571897370	/nfs/dbraw/zinc/89/73/70/571897370.db2.gz	SBXIHJKPENWFLD-SFYZADRCSA-N	0	0	194.265	3.075	10	0		AGAERN
Cc1cccc(CC(=O)CC(C)C)c1	32008311	571897514	/nfs/dbraw/zinc/89/75/14/571897514.db2.gz	RKFMRIOWPNGTDS-UHFFFAOYSA-N	0	0	190.286	3.153	10	0		AGAERN
CCC[C@H](C)C[C@](C)(O)CC1CC1	229747543	571897993	/nfs/dbraw/zinc/89/79/93/571897993.db2.gz	BMNBRYQZZDDLPE-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H](CC(F)F)C[C@H](O)C(C)(C)C	687879120	571898215	/nfs/dbraw/zinc/89/82/15/571898215.db2.gz	SBXIHJKPENWFLD-YUMQZZPRSA-N	0	0	194.265	3.075	10	0		AGAERN
CCCc1n[nH]c2c1CCC2	39133964	571899063	/nfs/dbraw/zinc/89/90/63/571899063.db2.gz	AZWQSMZBSYKBEP-VIFPVBQESA-N	0	0	150.225	3.059	10	0		AGAERN
CCCC[C@@H](O)C[C@@H](C)CC(F)F	687880062	571899082	/nfs/dbraw/zinc/89/90/82/571899082.db2.gz	WCBAKHMTVKFNSA-RKDXNWHRSA-N	0	0	194.265	3.219	10	0		AGAERN
CCCC[C@@H](O)C[C@H](C)CC(F)F	687880060	571899968	/nfs/dbraw/zinc/89/99/68/571899968.db2.gz	WCBAKHMTVKFNSA-DTWKUNHWSA-N	0	0	194.265	3.219	10	0		AGAERN
CC(C)Cc1ccc(N=O)cc1	39133629	571900306	/nfs/dbraw/zinc/90/03/06/571900306.db2.gz	MCAMQUFQEWSGIK-UHFFFAOYSA-N	0	0	163.220	3.283	10	0		AGAERN
CCC1CCC(C(=O)OC(C)C)CC1	145286581	571900339	/nfs/dbraw/zinc/90/03/39/571900339.db2.gz	LEBMGONQDBDEJE-UHFFFAOYSA-N	0	0	198.306	3.154	10	0		AGAERN
CCSC[C@@H](C)n1c(C)ccc1C	219601188	571900352	/nfs/dbraw/zinc/90/03/52/571900352.db2.gz	HMTUNWPTDVSSTB-LLVKDONJSA-N	0	0	197.347	3.419	10	0		AGAERN
Cc1cc(C)c(N=O)c(C)c1C	39133639	571900372	/nfs/dbraw/zinc/90/03/72/571900372.db2.gz	COUUPXBRSFOUIK-UHFFFAOYSA-N	0	0	163.220	3.318	10	0		AGAERN
Br/C=C/[C@@H]1C[C@@H]2C=C[C@H]1C2	687728252	571900585	/nfs/dbraw/zinc/90/05/85/571900585.db2.gz	CYNGRPPSJAMPKA-GYPDQYIGSA-N	0	0	199.091	3.107	10	0		AGAERN
CCCC[C@H](O)C[C@@H](C)CC(F)F	687880059	571900791	/nfs/dbraw/zinc/90/07/91/571900791.db2.gz	WCBAKHMTVKFNSA-BDAKNGLRSA-N	0	0	194.265	3.219	10	0		AGAERN
CCC[C@H](CC)Nc1ccnc(F)c1	227643187	571901199	/nfs/dbraw/zinc/90/11/99/571901199.db2.gz	BLGVJLJLRJHLFI-VIFPVBQESA-N	0	0	196.269	3.211	10	0		AGAERN
CCCCCc1noc(C)c1C	39113262	571901399	/nfs/dbraw/zinc/90/13/99/571901399.db2.gz	ZVIJPJXBTUQIJA-UHFFFAOYSA-N	0	0	167.252	3.024	10	0		AGAERN
CCCC[C@H](O)C[C@H](C)CC(F)F	687880061	571901516	/nfs/dbraw/zinc/90/15/16/571901516.db2.gz	WCBAKHMTVKFNSA-IUCAKERBSA-N	0	0	194.265	3.219	10	0		AGAERN
C[C@@H]1CC[C@H]2Nc3ccccc3[C@H]2C1	8581431	571901653	/nfs/dbraw/zinc/90/16/53/571901653.db2.gz	SODRAWBDYLZLOQ-IRUJWGPZSA-N	0	0	187.286	3.384	10	0		AGAERN
CCCc1n[nH]c2c1CCC2	39133965	571901655	/nfs/dbraw/zinc/90/16/55/571901655.db2.gz	AZWQSMZBSYKBEP-SECBINFHSA-N	0	0	150.225	3.059	10	0		AGAERN
CCCCCn1c(C)ccc1C	32165483	571901816	/nfs/dbraw/zinc/90/18/16/571901816.db2.gz	USQGYTGFFUAGPL-UHFFFAOYSA-N	0	0	165.280	3.295	10	0		AGAERN
CCC(=CC[C@@H](C)CCO)CC	5767995	571902005	/nfs/dbraw/zinc/90/20/05/571902005.db2.gz	XSFCJNDQFKISFC-SNVBAGLBSA-N	0	0	170.296	3.141	10	0		AGAERN
CCCC[C@H]1COc2cscc2O1	113793821	571902081	/nfs/dbraw/zinc/90/20/81/571902081.db2.gz	NNIKSVAOFGELNT-QMMMGPOBSA-N	0	0	198.287	3.078	10	0		AGAERN
Cc1cc(C)c2cc(C)oc2c1	39136345	571902324	/nfs/dbraw/zinc/90/23/24/571902324.db2.gz	CTYOJQLRNDIWNO-UHFFFAOYSA-N	0	0	160.216	3.358	10	0		AGAERN
Cc1cc2ccc(C)c(C)c2o1	39136460	571902454	/nfs/dbraw/zinc/90/24/54/571902454.db2.gz	FAPJXVLQJKZYPR-UHFFFAOYSA-N	0	0	160.216	3.358	10	0		AGAERN
CC[C@H](C)c1ccc(C)c(N)c1	39136162	571902944	/nfs/dbraw/zinc/90/29/44/571902944.db2.gz	SUAVWPSXEROBGI-QMMMGPOBSA-N	0	0	163.264	3.091	10	0		AGAERN
CC[C@@H](C)c1ccc(C)c(N)c1	39136161	571903034	/nfs/dbraw/zinc/90/30/34/571903034.db2.gz	SUAVWPSXEROBGI-MRVPVSSYSA-N	0	0	163.264	3.091	10	0		AGAERN
C[C@@](O)(CCC1CC1)CC1CCC1	235426373	571903553	/nfs/dbraw/zinc/90/35/53/571903553.db2.gz	FSEYERVXJWXRDA-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
CC1=CCCC(C)(C)[C@@H]1CCCO	39148037	571903559	/nfs/dbraw/zinc/90/35/59/571903559.db2.gz	UNEMEOZKDQWLEX-LLVKDONJSA-N	0	0	182.307	3.141	10	0		AGAERN
CC1=CCCC(C)(C)[C@H]1CCCO	39148038	571903365	/nfs/dbraw/zinc/90/33/65/571903365.db2.gz	UNEMEOZKDQWLEX-NSHDSACASA-N	0	0	182.307	3.141	10	0		AGAERN
Cc1cc2c(C)ccc(C)c2o1	39136289	571903629	/nfs/dbraw/zinc/90/36/29/571903629.db2.gz	FDYSDFFZVPFRGD-UHFFFAOYSA-N	0	0	160.216	3.358	10	0		AGAERN
C[C@@](O)(CCC1CC1)c1ccccc1	235427768	571903934	/nfs/dbraw/zinc/90/39/34/571903934.db2.gz	IOJSYTPVQBTRKG-CYBMUJFWSA-N	0	0	190.286	3.084	10	0		AGAERN
C[C@@](O)(CCC1CC1)c1cccs1	235428006	571904519	/nfs/dbraw/zinc/90/45/19/571904519.db2.gz	PIOZLFKMJXROEM-LLVKDONJSA-N	0	0	196.315	3.146	10	0		AGAERN
Cc1c(C=O)ccc2ccc(F)cc12	39168742	571904971	/nfs/dbraw/zinc/90/49/71/571904971.db2.gz	GJZXCQIJNJSOIV-UHFFFAOYSA-N	0	0	188.201	3.100	10	0		AGAERN
CCC[C@@H]1CC(=O)CC(C)(C)C1	39168334	571905617	/nfs/dbraw/zinc/90/56/17/571905617.db2.gz	SVWCJQYYHPTAQR-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC1(C)Cc2ccccc2NC1(C)C	39148272	571905843	/nfs/dbraw/zinc/90/58/43/571905843.db2.gz	VUKCKSATCUFSGJ-UHFFFAOYSA-N	0	0	189.302	3.459	10	0		AGAERN
Cc1cc2oc(C)c(C)c2cc1O	39168471	571905856	/nfs/dbraw/zinc/90/58/56/571905856.db2.gz	KRNZJQALAQCTSH-UHFFFAOYSA-N	0	0	176.215	3.064	10	0		AGAERN
CCC[C@H]1CC(=O)CC(C)(C)C1	39168335	571905934	/nfs/dbraw/zinc/90/59/34/571905934.db2.gz	SVWCJQYYHPTAQR-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CCc1occc1[C@@H](O)C1CCCC1	234265196	571906323	/nfs/dbraw/zinc/90/63/23/571906323.db2.gz	ZSNFSOKVADFFMO-LBPRGKRZSA-N	0	0	194.274	3.066	10	0		AGAERN
c1ccc2c3c([nH]c2c1)SCCC3	39189760	571906828	/nfs/dbraw/zinc/90/68/28/571906828.db2.gz	FLINPXGBCJVMNM-UHFFFAOYSA-N	0	0	189.283	3.206	10	0		AGAERN
CC(C)Cc1cc2ccccc2[nH]1	39188656	571907497	/nfs/dbraw/zinc/90/74/97/571907497.db2.gz	KPJIFTXAZLGSPP-UHFFFAOYSA-N	0	0	173.259	3.366	10	0		AGAERN
Cc1cc2ccc3cccnc3c2[nH]1	39190690	571907127	/nfs/dbraw/zinc/90/71/27/571907127.db2.gz	KFYPHALDDOOZFS-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
Cc1cc(N=O)c(O)c(C(C)(C)C)c1	39199093	571907134	/nfs/dbraw/zinc/90/71/34/571907134.db2.gz	KLXOANCTENWKLR-UHFFFAOYSA-N	0	0	193.246	3.396	10	0		AGAERN
CC1=CCCCCC(=O)CCC1	379324701	571907187	/nfs/dbraw/zinc/90/71/87/571907187.db2.gz	HNZRUPSHKQVDJN-UHFFFAOYSA-N	0	0	166.264	3.246	10	0		AGAERN
Cc1cc2ccc(O)cc2cc1C	39190713	571907303	/nfs/dbraw/zinc/90/73/03/571907303.db2.gz	IPELRBKDSIGNSI-UHFFFAOYSA-N	0	0	172.227	3.162	10	0		AGAERN
Cc1cc2cccc(C)c2o1	39191707	571907522	/nfs/dbraw/zinc/90/75/22/571907522.db2.gz	VEUMMZPESXCKAI-UHFFFAOYSA-N	0	0	146.189	3.050	10	0		AGAERN
C[C@@H]1C(=O)CC(C)(C)CC1(C)C	39190952	571907463	/nfs/dbraw/zinc/90/74/63/571907463.db2.gz	ICDULWBNJIMWDY-MRVPVSSYSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCCC/C=C(\C)[C@@H](O)CC	59626393	571907474	/nfs/dbraw/zinc/90/74/74/571907474.db2.gz	FGYRJHXJMWIBKO-USKTWTLRSA-N	0	0	170.296	3.284	10	0		AGAERN
CCCCC/C=C(\C)[C@H](O)CC	59626388	571907481	/nfs/dbraw/zinc/90/74/81/571907481.db2.gz	FGYRJHXJMWIBKO-PBQZMEPESA-N	0	0	170.296	3.284	10	0		AGAERN
c1ccc2c3c([nH]c2c1)CCCS3	39194169	571907486	/nfs/dbraw/zinc/90/74/86/571907486.db2.gz	VCRKISRHXKYFBU-UHFFFAOYSA-N	0	0	189.283	3.206	10	0		AGAERN
CCCCc1cc2ccccn2c1	39191597	571907489	/nfs/dbraw/zinc/90/74/89/571907489.db2.gz	LFYGZTYYDMPEHU-UHFFFAOYSA-N	0	0	173.259	3.282	10	0		AGAERN
COc1cc2ccsc2cc1C	39192806	571907564	/nfs/dbraw/zinc/90/75/64/571907564.db2.gz	JPCWACUXSHAWEC-UHFFFAOYSA-N	0	0	178.256	3.218	10	0		AGAERN
COc1cc2sccc2cc1C	39192800	571907650	/nfs/dbraw/zinc/90/76/50/571907650.db2.gz	PTLHTECLFJRDRX-UHFFFAOYSA-N	0	0	178.256	3.218	10	0		AGAERN
C[C@H]1C(=O)CC(C)(C)CC1(C)C	39190953	571907770	/nfs/dbraw/zinc/90/77/70/571907770.db2.gz	ICDULWBNJIMWDY-QMMMGPOBSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)/C(C)=C\c1ccc(C)s1	379322891	571907803	/nfs/dbraw/zinc/90/78/03/571907803.db2.gz	MEMZJMGSYAKRBH-SREVYHEPSA-N	0	0	180.272	3.049	10	0		AGAERN
Cc1ccc(C)c(-c2ccccc2)n1	39188673	571907888	/nfs/dbraw/zinc/90/78/88/571907888.db2.gz	WJHHBYMHCAMMBS-UHFFFAOYSA-N	0	0	183.254	3.365	10	0		AGAERN
C/C(=C/Cl)C[C@@H]1CCCC[C@H]1O	379323935	571907927	/nfs/dbraw/zinc/90/79/27/571907927.db2.gz	UOKAWVKXJBCURV-ZTXJHGQBSA-N	0	0	188.698	3.070	10	0		AGAERN
C/C=C/Cc1cc(C)ccc1NC	39202235	571907932	/nfs/dbraw/zinc/90/79/32/571907932.db2.gz	YRBKURJJEYNIRH-SNAWJCMRSA-N	0	0	175.275	3.155	10	0		AGAERN
COc1cccc2[nH]c(C3CC3)cc12	39185288	571908119	/nfs/dbraw/zinc/90/81/19/571908119.db2.gz	JOBQCFHATLTTJC-UHFFFAOYSA-N	0	0	187.242	3.054	10	0		AGAERN
C/C(=C/Cl)C[C@@H]1CCCC[C@@H]1O	379323934	571908334	/nfs/dbraw/zinc/90/83/34/571908334.db2.gz	UOKAWVKXJBCURV-OWSSEVEYSA-N	0	0	188.698	3.070	10	0		AGAERN
C/C=C/Cc1c(C)cccc1NC	39202237	571908387	/nfs/dbraw/zinc/90/83/87/571908387.db2.gz	CLTWNUSPTWLFAH-SNAWJCMRSA-N	0	0	175.275	3.155	10	0		AGAERN
CC/C=C/CNc1ccccc1	39201339	571908401	/nfs/dbraw/zinc/90/84/01/571908401.db2.gz	GWLROVDQFZWUTC-XVNBXDOJSA-N	0	0	161.248	3.065	10	0		AGAERN
CCCCOc1ccc(NCC)cc1	39189828	571908511	/nfs/dbraw/zinc/90/85/11/571908511.db2.gz	SYHXHLOSKQHFQL-UHFFFAOYSA-N	0	0	193.290	3.297	10	0		AGAERN
Cc1ccc2c(n1)[nH]c1ccccc12	39204076	571909866	/nfs/dbraw/zinc/90/98/66/571909866.db2.gz	QWJBYKXXNQWCJC-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
c1cc2c3c(ccc2[nH]1)CCCC3	39213422	571910398	/nfs/dbraw/zinc/91/03/98/571910398.db2.gz	ZVMVQBXBXLIWBW-UHFFFAOYSA-N	0	0	171.243	3.047	10	0		AGAERN
c1cc2cc3c(cc2[nH]1)CCCC3	39213423	571910418	/nfs/dbraw/zinc/91/04/18/571910418.db2.gz	WBXTYGOPSPPOQN-UHFFFAOYSA-N	0	0	171.243	3.047	10	0		AGAERN
CC[C@@H](C)Oc1ccc(C)cc1C	39212745	571910773	/nfs/dbraw/zinc/91/07/73/571910773.db2.gz	GQIIUWSZXBYQRX-LLVKDONJSA-N	0	0	178.275	3.481	10	0		AGAERN
CC(C)=CCc1cccc(C)c1O	39208652	571910825	/nfs/dbraw/zinc/91/08/25/571910825.db2.gz	WWUYJANHYBSHDZ-UHFFFAOYSA-N	0	0	176.259	3.209	10	0		AGAERN
CC(C)=CCC(=O)c1ccccc1	39214267	571910846	/nfs/dbraw/zinc/91/08/46/571910846.db2.gz	VDTLQEZXJNRBJP-UHFFFAOYSA-N	0	0	174.243	3.226	10	0		AGAERN
CC[C@H](CCC1CCCC1)[C@H](C)O	300771010	571910849	/nfs/dbraw/zinc/91/08/49/571910849.db2.gz	PRFLSIWSRRDFCZ-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)c1cc2c(O)cccc2o1	39204665	571910883	/nfs/dbraw/zinc/91/08/83/571910883.db2.gz	KHNKQSYYXHHHQO-UHFFFAOYSA-N	0	0	176.215	3.262	10	0		AGAERN
COc1c(C)ccc2c(C)c(C)[nH]c12	39216222	571910904	/nfs/dbraw/zinc/91/09/04/571910904.db2.gz	NAYZMGFPOVYXAB-UHFFFAOYSA-N	0	0	189.258	3.102	10	0		AGAERN
C[C@H](C[C@@H]1CCCC1=O)C(C)(C)C	711182399	571911466	/nfs/dbraw/zinc/91/14/66/571911466.db2.gz	RJHCMMFRLFOPDC-ZJUUUORDSA-N	0	0	182.307	3.428	10	0		AGAERN
CCCC[C@H]1CCC[C@H](C)C1=O	39237041	571911952	/nfs/dbraw/zinc/91/19/52/571911952.db2.gz	BJQCZCARVYHHOV-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@H]1CCC(=O)c2ccccc21	39221225	571911954	/nfs/dbraw/zinc/91/19/54/571911954.db2.gz	RCPPTZGHLZLDMB-VIFPVBQESA-N	0	0	174.243	3.157	10	0		AGAERN
CCCn1cc(C)c2ccccc21	39237358	571911956	/nfs/dbraw/zinc/91/19/56/571911956.db2.gz	QQGFXZRGQADSNC-UHFFFAOYSA-N	0	0	173.259	3.360	10	0		AGAERN
CCC(C)(C)Nc1ccccc1	39233775	571911777	/nfs/dbraw/zinc/91/17/77/571911777.db2.gz	GFJVNESVZAIIJL-UHFFFAOYSA-N	0	0	163.264	3.287	10	0		AGAERN
CC(C)=COCc1ccccc1	39236580	571911816	/nfs/dbraw/zinc/91/18/16/571911816.db2.gz	LYFWIYBTLVPPJZ-UHFFFAOYSA-N	0	0	162.232	3.127	10	0		AGAERN
CCCc1cc(N)c2ccccc2c1	39238236	571912066	/nfs/dbraw/zinc/91/20/66/571912066.db2.gz	JRVQUGAZEUTXQV-UHFFFAOYSA-N	0	0	185.270	3.375	10	0		AGAERN
CCCC[C@H]1CCC[C@@H](C)C1=O	39237043	571912171	/nfs/dbraw/zinc/91/21/71/571912171.db2.gz	BJQCZCARVYHHOV-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H](C)c1ccc(C)o1	39233612	571912176	/nfs/dbraw/zinc/91/21/76/571912176.db2.gz	RFJODUXMXSBKHG-SSDOTTSWSA-N	0	0	138.210	3.102	10	0		AGAERN
CC1(CC(=O)CCC(F)(F)F)CC1	401299038	571912510	/nfs/dbraw/zinc/91/25/10/571912510.db2.gz	CSVHRSSXBJDPIQ-UHFFFAOYSA-N	0	0	194.196	3.088	10	0		AGAERN
CC[C@@H](CCC1CCCC1)[C@H](C)O	300771012	571912285	/nfs/dbraw/zinc/91/22/85/571912285.db2.gz	PRFLSIWSRRDFCZ-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H]1CCC(=O)c2ccccc21	39221223	571912306	/nfs/dbraw/zinc/91/23/06/571912306.db2.gz	RCPPTZGHLZLDMB-SECBINFHSA-N	0	0	174.243	3.157	10	0		AGAERN
CCCC[C@@H]1CCC[C@H](C)C1=O	39237040	571912390	/nfs/dbraw/zinc/91/23/90/571912390.db2.gz	BJQCZCARVYHHOV-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCC[C@@H]1CCC[C@@H](C)C1=O	39237042	571912614	/nfs/dbraw/zinc/91/26/14/571912614.db2.gz	BJQCZCARVYHHOV-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
c1cc2c[nH]c3ccccc3c-2c1	39225300	571912643	/nfs/dbraw/zinc/91/26/43/571912643.db2.gz	AVTRHIASEDSPOZ-UHFFFAOYSA-N	0	0	167.211	3.273	10	0		AGAERN
COc1ccccc1C=C(C)C	39222177	571913060	/nfs/dbraw/zinc/91/30/60/571913060.db2.gz	HMUITPMEJBPWCN-UHFFFAOYSA-N	0	0	162.232	3.118	10	0		AGAERN
CC(C)c1cnc2ccccc2c1	39237061	571912785	/nfs/dbraw/zinc/91/27/85/571912785.db2.gz	XLSPUCCTJJFXSW-UHFFFAOYSA-N	0	0	171.243	3.358	10	0		AGAERN
CC(=O)CCCCC1CCCC1	36469412	571913007	/nfs/dbraw/zinc/91/30/07/571913007.db2.gz	IVPZKBXOMYXQGG-UHFFFAOYSA-N	0	0	168.280	3.326	10	0		AGAERN
CC1(c2ccc(O)cc2)CCCC1	39222344	571913074	/nfs/dbraw/zinc/91/30/74/571913074.db2.gz	XQDKIMZRWNYNOI-UHFFFAOYSA-N	0	0	176.259	3.224	10	0		AGAERN
CCc1ccc(O)c2ccccc12	39221221	571913549	/nfs/dbraw/zinc/91/35/49/571913549.db2.gz	GBVHCGKQBBXKQZ-UHFFFAOYSA-N	0	0	172.227	3.108	10	0		AGAERN
CCC/C=C\COc1ccccc1O	36466849	571913275	/nfs/dbraw/zinc/91/32/75/571913275.db2.gz	RZDBWOOYRPKEGC-DAXSKMNVSA-N	0	0	192.258	3.127	10	0		AGAERN
C/C=C\[C@@H](CCCC)CC(C)=O	206722827	571913293	/nfs/dbraw/zinc/91/32/93/571913293.db2.gz	FFSVNIZUTAJXFB-XOIDGJRKSA-N	0	0	168.280	3.348	10	0		AGAERN
C1=C[C@@H]2C[C@H]1C[C@H]2CNc1ccccc1	687729281	571913426	/nfs/dbraw/zinc/91/34/26/571913426.db2.gz	GTZPXNKIRYPRGU-XQQFMLRXSA-N	0	0	199.297	3.311	10	0		AGAERN
CCCC/C=C/CCCC(C)=O	36404313	571913436	/nfs/dbraw/zinc/91/34/36/571913436.db2.gz	VDAWGQHQGFRCBE-VOTSOKGWSA-N	0	0	168.280	3.492	10	0		AGAERN
CC[C@@H](CCC1CCCC1)[C@@H](C)O	300771014	571913684	/nfs/dbraw/zinc/91/36/84/571913684.db2.gz	PRFLSIWSRRDFCZ-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@H]1Cc2c(ccc3ccccc23)[C@@H]1O	36420409	571913739	/nfs/dbraw/zinc/91/37/39/571913739.db2.gz	RUBFEGSKABOQBU-YMTOWFKASA-N	0	0	198.265	3.065	10	0		AGAERN
CSC1=Nc2ccccc2CCC1	39245048	571914112	/nfs/dbraw/zinc/91/41/12/571914112.db2.gz	WVBIBARAHAPZRT-UHFFFAOYSA-N	0	0	191.299	3.416	10	0		AGAERN
C[C@@H]1Cc2c(ccc3ccccc23)[C@H]1O	36420411	571914116	/nfs/dbraw/zinc/91/41/16/571914116.db2.gz	RUBFEGSKABOQBU-OTYXRUKQSA-N	0	0	198.265	3.065	10	0		AGAERN
c1ccc2c3c(ccc2c1)OCCC3	39249460	571914243	/nfs/dbraw/zinc/91/42/43/571914243.db2.gz	QMNBEQHZLNSGGB-UHFFFAOYSA-N	0	0	184.238	3.165	10	0		AGAERN
CC[C@H](CCC1CCCC1)[C@@H](C)O	300771017	571914279	/nfs/dbraw/zinc/91/42/79/571914279.db2.gz	PRFLSIWSRRDFCZ-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)=CCc1cc(C)ccc1O	39245157	571914490	/nfs/dbraw/zinc/91/44/90/571914490.db2.gz	AYYLFIXOSLEFKR-UHFFFAOYSA-N	0	0	176.259	3.209	10	0		AGAERN
C/C=C/C=C/Cc1ccc(O)cc1	39249483	571914514	/nfs/dbraw/zinc/91/45/14/571914514.db2.gz	XUVQLSCWJXRBRW-MQQKCMAXSA-N	0	0	174.243	3.067	10	0		AGAERN
C[C@H]1Cc2c(ccc3ccccc23)[C@@H]1O	36420410	571914617	/nfs/dbraw/zinc/91/46/17/571914617.db2.gz	RUBFEGSKABOQBU-LKFCYVNXSA-N	0	0	198.265	3.065	10	0		AGAERN
C[C@H]1Cc2c(ccc3ccccc23)[C@H]1O	36420412	571914750	/nfs/dbraw/zinc/91/47/50/571914750.db2.gz	RUBFEGSKABOQBU-XPTSAGLGSA-N	0	0	198.265	3.065	10	0		AGAERN
CCC(C)(C)c1cccc(C)c1O	39238814	571914824	/nfs/dbraw/zinc/91/48/24/571914824.db2.gz	NWDYSGDVOAWIKO-UHFFFAOYSA-N	0	0	178.275	3.388	10	0		AGAERN
C[C@@H]1C[C@H]1[C@H](O)CCCC(C)(C)C	300773017	571914860	/nfs/dbraw/zinc/91/48/60/571914860.db2.gz	ACNJIGDCUCCOHH-GMTAPVOTSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1ccc2cc(Cl)cnc2c1	39245889	571915059	/nfs/dbraw/zinc/91/50/59/571915059.db2.gz	OYLGZOYIJRLLAW-UHFFFAOYSA-N	0	0	177.634	3.197	10	0		AGAERN
CC(=O)/C=C\C1(C)CCCCCC1	394756204	571915080	/nfs/dbraw/zinc/91/50/80/571915080.db2.gz	RGTKXZSXAOAGLN-YFHOEESVSA-N	0	0	180.291	3.492	10	0		AGAERN
C/C(=C/C[C@H]1CC[C@H](C)C1(C)C)CO	139322524	571916030	/nfs/dbraw/zinc/91/60/30/571916030.db2.gz	WNFFALOIJUMLCA-OUONCDGISA-N	0	0	196.334	3.387	10	0		AGAERN
C/C=C/[C@H](C)Nc1ccccc1	39243913	571915145	/nfs/dbraw/zinc/91/51/45/571915145.db2.gz	HYDCNLRVDPZUPE-HTZNOQTFSA-N	0	0	161.248	3.063	10	0		AGAERN
C/C=C/[C@@H](C)Nc1ccccc1	39243912	571915190	/nfs/dbraw/zinc/91/51/90/571915190.db2.gz	HYDCNLRVDPZUPE-KFEJWOFMSA-N	0	0	161.248	3.063	10	0		AGAERN
CCCCc1cc(C)c(C)o1	39242483	571915194	/nfs/dbraw/zinc/91/51/94/571915194.db2.gz	VSQXEOUBYXNQOW-UHFFFAOYSA-N	0	0	152.237	3.239	10	0		AGAERN
CCCc1ccc(=S)[nH]c1C	39245349	571915202	/nfs/dbraw/zinc/91/52/02/571915202.db2.gz	FPBYOICTNBFZDM-UHFFFAOYSA-N	0	0	167.277	3.005	10	0		AGAERN
Cc1ccc(NC(=S)C(C)C)cc1	39247820	571915211	/nfs/dbraw/zinc/91/52/11/571915211.db2.gz	WXGJZCUJLKKRCS-UHFFFAOYSA-N	0	0	193.315	3.390	10	0		AGAERN
CSC1=Nc2ccccc2SC1	39245049	571915274	/nfs/dbraw/zinc/91/52/74/571915274.db2.gz	BPSJFZSPCRRJMA-UHFFFAOYSA-N	0	0	195.312	3.185	10	0		AGAERN
C[C@@H]1c2ccccc2C(=O)C1(C)C	39248207	571915438	/nfs/dbraw/zinc/91/54/38/571915438.db2.gz	NFLQHKRQYWMPPC-MRVPVSSYSA-N	0	0	174.243	3.013	10	0		AGAERN
CC[C@H](C[C@H](C)O)C1CCCCC1	36466704	571915560	/nfs/dbraw/zinc/91/55/60/571915560.db2.gz	YDGZPCWRKWAAEQ-WDEREUQCSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H]1c2ccccc2C(=O)C1(C)C	39248209	571915717	/nfs/dbraw/zinc/91/57/17/571915717.db2.gz	NFLQHKRQYWMPPC-QMMMGPOBSA-N	0	0	174.243	3.013	10	0		AGAERN
CC(=O)[C@]1(C)CC[C@H]1CC(C)C	139339193	571915915	/nfs/dbraw/zinc/91/59/15/571915915.db2.gz	IDHLXQHSCCRETC-QWRGUYRKSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@@](F)(C[NH3+])CCCC(C)(C)C	300773792	571915964	/nfs/dbraw/zinc/91/59/64/571915964.db2.gz	AFJWAGKYSWBXSX-NSHDSACASA-N	0	0	189.318	3.280	10	0		AGAERN
O=C1CCC/C=C/CCCCC1	39254805	571916152	/nfs/dbraw/zinc/91/61/52/571916152.db2.gz	APSIMXOOBYPNOA-HNQUOIGGSA-N	0	0	166.264	3.246	10	0		AGAERN
CC/C=C/c1cccs1	113410406	571916641	/nfs/dbraw/zinc/91/66/41/571916641.db2.gz	MGQQXYGYPQLUJP-HWKANZROSA-N	0	0	138.235	3.171	10	0		AGAERN
Cc1ccccc1Sc1ccc[nH]1	139329326	571916276	/nfs/dbraw/zinc/91/62/76/571916276.db2.gz	JWNCVVPZEYZGEF-UHFFFAOYSA-N	0	0	189.283	3.474	10	0		AGAERN
CC(=O)[C@@H]1CCCC2=C1CCCC2	39256698	571916376	/nfs/dbraw/zinc/91/63/76/571916376.db2.gz	OYZIXFMXNGMDSX-NSHDSACASA-N	0	0	178.275	3.246	10	0		AGAERN
C[C@@H]1C[C@@H]1[C@@H](O)CCCC(C)(C)C	300773023	571916385	/nfs/dbraw/zinc/91/63/85/571916385.db2.gz	ACNJIGDCUCCOHH-VWYCJHECSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(=O)[C@H]1CCC2=C(CCCC2)C1	39256701	571916443	/nfs/dbraw/zinc/91/64/43/571916443.db2.gz	VPPXKTBCHJFHCW-NSHDSACASA-N	0	0	178.275	3.246	10	0		AGAERN
CC[C@@H](C)Oc1ccc(F)cc1	39259703	571916506	/nfs/dbraw/zinc/91/65/06/571916506.db2.gz	CMVSARCQPICNRH-MRVPVSSYSA-N	0	0	168.211	3.003	10	0		AGAERN
CC(=O)[C@H]1CCCC2=C1CCCC2	39256699	571916563	/nfs/dbraw/zinc/91/65/63/571916563.db2.gz	OYZIXFMXNGMDSX-LLVKDONJSA-N	0	0	178.275	3.246	10	0		AGAERN
C[C@@H]1C[C@H]1[C@@H](O)CCCC(C)(C)C	300773020	571917007	/nfs/dbraw/zinc/91/70/07/571917007.db2.gz	ACNJIGDCUCCOHH-MXWKQRLJSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@@H]1C[C@@H]1[C@H](O)CCCC(C)(C)C	300773021	571917229	/nfs/dbraw/zinc/91/72/29/571917229.db2.gz	ACNJIGDCUCCOHH-OUAUKWLOSA-N	0	0	184.323	3.220	10	0		AGAERN
CC1(C)CCCCCCCC1=O	39259020	571917309	/nfs/dbraw/zinc/91/73/09/571917309.db2.gz	BVJHWVXZSMOSRR-UHFFFAOYSA-N	0	0	168.280	3.326	10	0		AGAERN
CC(=O)[C@@H]1CCC2=C(CCCC2)C1	39256700	571917328	/nfs/dbraw/zinc/91/73/28/571917328.db2.gz	VPPXKTBCHJFHCW-LLVKDONJSA-N	0	0	178.275	3.246	10	0		AGAERN
CC[C@](F)(C[NH3+])CCCC(C)(C)C	300773790	571917397	/nfs/dbraw/zinc/91/73/97/571917397.db2.gz	AFJWAGKYSWBXSX-LLVKDONJSA-N	0	0	189.318	3.280	10	0		AGAERN
CNc1cc(C)c2ccccc2c1	39261865	571917505	/nfs/dbraw/zinc/91/75/05/571917505.db2.gz	SYKAULCSTSYVAT-UHFFFAOYSA-N	0	0	171.243	3.190	10	0		AGAERN
CC/C(=C\C1CCCCC1)[N+](=O)[O-]	39260961	571917608	/nfs/dbraw/zinc/91/76/08/571917608.db2.gz	NVEYADOYZZYKDQ-CSKARUKUSA-N	0	0	183.251	3.137	10	0		AGAERN
CC(=O)[C@@]1(C)CC[C@H]1CC(C)C	139339415	571917621	/nfs/dbraw/zinc/91/76/21/571917621.db2.gz	IDHLXQHSCCRETC-WDEREUQCSA-N	0	0	168.280	3.038	10	0		AGAERN
C/C(=C/C[C@H]1CC[C@@H](C)C1(C)C)CO	139322395	571917746	/nfs/dbraw/zinc/91/77/46/571917746.db2.gz	WNFFALOIJUMLCA-XAPDAFRNSA-N	0	0	196.334	3.387	10	0		AGAERN
Cc1ccc2ccc3[nH]cnc3c2c1	39256516	571917759	/nfs/dbraw/zinc/91/77/59/571917759.db2.gz	JTSMIMFODHIWMR-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
CC1(C)CCC(=O)c2ccsc21	39258965	571918004	/nfs/dbraw/zinc/91/80/04/571918004.db2.gz	FPRZFRCXVFHNIE-UHFFFAOYSA-N	0	0	180.272	3.002	10	0		AGAERN
CC[C@H](C)Oc1ccc(F)cc1	39259704	571918015	/nfs/dbraw/zinc/91/80/15/571918015.db2.gz	CMVSARCQPICNRH-QMMMGPOBSA-N	0	0	168.211	3.003	10	0		AGAERN
Cc1cc([C@@H]2C=CCC2)ccc1O	39271517	571919315	/nfs/dbraw/zinc/91/93/15/571919315.db2.gz	NVQZSPGETORFMM-SNVBAGLBSA-N	0	0	174.243	3.134	10	0		AGAERN
Cc1ccc(Sc2ccc[nH]2)cc1	139345022	571918380	/nfs/dbraw/zinc/91/83/80/571918380.db2.gz	WZLWGDJAHHFGRW-UHFFFAOYSA-N	0	0	189.283	3.474	10	0		AGAERN
Cn1c2sccc2c2ccsc21	39268923	571918659	/nfs/dbraw/zinc/91/86/59/571918659.db2.gz	AZTBCYMKPMSXEI-UHFFFAOYSA-N	0	0	193.296	3.455	10	0		AGAERN
Cc1cccc(Nc2ccccn2)c1	39269695	571918666	/nfs/dbraw/zinc/91/86/66/571918666.db2.gz	OMQYPTWMALFUKY-UHFFFAOYSA-N	0	0	184.242	3.134	10	0		AGAERN
CCOCc1c(C)[nH]c2ccccc12	39270207	571919283	/nfs/dbraw/zinc/91/92/83/571919283.db2.gz	ZZNNAEKLSFPWKC-UHFFFAOYSA-N	0	0	189.258	3.013	10	0		AGAERN
Cc1cc([C@@H]2C=CCC2)cc(C)c1O	39271519	571918897	/nfs/dbraw/zinc/91/88/97/571918897.db2.gz	VNBJODGDTMNXPQ-LLVKDONJSA-N	0	0	188.270	3.443	10	0		AGAERN
C=C(Cl)c1ccc(Cl)nc1C	39271140	571919499	/nfs/dbraw/zinc/91/94/99/571919499.db2.gz	IMSGRTCQAWWVPK-UHFFFAOYSA-N	0	0	188.057	3.253	10	0		AGAERN
COc1ccc(C)cc1-c1ccncc1	47214211	571919854	/nfs/dbraw/zinc/91/98/54/571919854.db2.gz	FCRCICZIQYLILB-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
CC(C)(C)C(C)(CO)C(C)(C)C	39279371	571919865	/nfs/dbraw/zinc/91/98/65/571919865.db2.gz	WWQNKZRSSQKDKS-UHFFFAOYSA-N	0	0	172.312	3.077	10	0		AGAERN
CSc1[nH]c2ccccc2c1C	39269037	571919791	/nfs/dbraw/zinc/91/97/91/571919791.db2.gz	KXKSPFGVKUHIAX-UHFFFAOYSA-N	0	0	177.272	3.198	10	0		AGAERN
Cc1ccc(C)c2c(O)cccc12	39275370	571920141	/nfs/dbraw/zinc/92/01/41/571920141.db2.gz	SZGLAUOUFLJQJA-UHFFFAOYSA-N	0	0	172.227	3.162	10	0		AGAERN
CC1=C2CCC(=O)C[C@@]2(C)CCC1	39268234	571920287	/nfs/dbraw/zinc/92/02/87/571920287.db2.gz	XYRQSRFHRLMWEU-GFCCVEGCSA-N	0	0	178.275	3.246	10	0		AGAERN
c1ccc(CSc2ccc[nH]2)cc1	39263638	571920347	/nfs/dbraw/zinc/92/03/47/571920347.db2.gz	AZWCBFXNQYGLPG-UHFFFAOYSA-N	0	0	189.283	3.307	10	0		AGAERN
Cc1cc([C@H]2C=CCC2)ccc1O	39271516	571920676	/nfs/dbraw/zinc/92/06/76/571920676.db2.gz	NVQZSPGETORFMM-JTQLQIEISA-N	0	0	174.243	3.134	10	0		AGAERN
CC(=O)[C@H]1CC[C@@H](C(C)(C)C)C1	139413469	571920956	/nfs/dbraw/zinc/92/09/56/571920956.db2.gz	MSQFZTUDVYIFBT-VHSXEESVSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCC[C@H]1CC(=O)C[C@H](C)C1	39343137	571921026	/nfs/dbraw/zinc/92/10/26/571921026.db2.gz	LHRQCMMUTUBJTL-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
C[C@H]1SCCCNc2ccccc21	39316520	571921689	/nfs/dbraw/zinc/92/16/89/571921689.db2.gz	PJIZWXXUGQWZDG-SECBINFHSA-N	0	0	193.315	3.296	10	0		AGAERN
Cc1cc(C(C)(C)C)cc(C)c1C=O	39318094	571921893	/nfs/dbraw/zinc/92/18/93/571921893.db2.gz	IKZRZEFDLUBNHN-UHFFFAOYSA-N	0	0	190.286	3.413	10	0		AGAERN
c1ccc2c(c1)cc1ccccn12	39319718	571922025	/nfs/dbraw/zinc/92/20/25/571922025.db2.gz	VUVGMQNYJPPCCC-UHFFFAOYSA-N	0	0	167.211	3.093	10	0		AGAERN
C[C@@H]1SCCCNc2ccccc21	39316521	571922044	/nfs/dbraw/zinc/92/20/44/571922044.db2.gz	PJIZWXXUGQWZDG-VIFPVBQESA-N	0	0	193.315	3.296	10	0		AGAERN
Cc1ccccc1Nc1ccccn1	39331410	571922309	/nfs/dbraw/zinc/92/23/09/571922309.db2.gz	KOWHVFVCORLCID-UHFFFAOYSA-N	0	0	184.242	3.134	10	0		AGAERN
CCCC[C@H]1CC(=O)C[C@@H](C)C1	39343134	571922383	/nfs/dbraw/zinc/92/23/83/571922383.db2.gz	LHRQCMMUTUBJTL-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCC[C@@H]1CC(=O)C[C@@H](C)C1	39343135	571922559	/nfs/dbraw/zinc/92/25/59/571922559.db2.gz	LHRQCMMUTUBJTL-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1sc(Cl)cc1Cl	39321843	571922655	/nfs/dbraw/zinc/92/26/55/571922655.db2.gz	WHBPJMPTOYZRFS-UHFFFAOYSA-N	0	0	167.060	3.363	10	0		AGAERN
CCCC[C@@H]1CC(=O)C[C@H](C)C1	39343138	571922694	/nfs/dbraw/zinc/92/26/94/571922694.db2.gz	LHRQCMMUTUBJTL-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
Fc1ccc2c(c1)[C@@H]1CCCC[C@@H]1N2	39343752	571922925	/nfs/dbraw/zinc/92/29/25/571922925.db2.gz	XMBSZMVTVFCHDR-ONGXEEELSA-N	0	0	191.249	3.277	10	0		AGAERN
O=Nc1cccc2ccccc12	30728401	571922934	/nfs/dbraw/zinc/92/29/34/571922934.db2.gz	HXOPMUIUKYURIC-UHFFFAOYSA-N	0	0	157.172	3.238	10	0	in-vitro	AGAERN
CCc1[nH]c2ccccc2c1CC	39372207	571924215	/nfs/dbraw/zinc/92/42/15/571924215.db2.gz	YGHNVBCKDSZFTO-UHFFFAOYSA-N	0	0	173.259	3.293	10	0		AGAERN
Cc1cccc([C@@H]2C=CCCC2)c1N	39368500	571924287	/nfs/dbraw/zinc/92/42/87/571924287.db2.gz	AWVQQXQGAXOLBA-LLVKDONJSA-N	0	0	187.286	3.401	10	0		AGAERN
Cc1cnc(-c2ccc(O)cc2)c(C)c1	687808376	571924650	/nfs/dbraw/zinc/92/46/50/571924650.db2.gz	NPAXJOBHRHFTLM-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1cccc([C@H]2C=CCCC2)c1N	39368499	571925033	/nfs/dbraw/zinc/92/50/33/571925033.db2.gz	AWVQQXQGAXOLBA-NSHDSACASA-N	0	0	187.286	3.401	10	0		AGAERN
COc1cccc(C(C)(C)C)c1OC	39347480	571925339	/nfs/dbraw/zinc/92/53/39/571925339.db2.gz	MZPUYDKIHQUSMU-UHFFFAOYSA-N	0	0	194.274	3.001	10	0		AGAERN
OCc1cccc(C2=C(F)CCC2)c1	196146424	571925346	/nfs/dbraw/zinc/92/53/46/571925346.db2.gz	MXDCYJMCBOTFPA-UHFFFAOYSA-N	0	0	192.233	3.043	10	0		AGAERN
CC(C)c1c(C=O)[nH]c2ccccc12	39381756	571925427	/nfs/dbraw/zinc/92/54/27/571925427.db2.gz	WWNBMLOLUPECJR-UHFFFAOYSA-N	0	0	187.242	3.104	10	0		AGAERN
Cc1cnc(-c2cccc(O)c2)c(C)c1	687808377	571925442	/nfs/dbraw/zinc/92/54/42/571925442.db2.gz	YZNIMTKVLNGSOR-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
CCc1cc2cccc(Cl)c2[nH]1	196148377	571925831	/nfs/dbraw/zinc/92/58/31/571925831.db2.gz	KCDOSCWXOHCBDW-UHFFFAOYSA-N	0	0	179.650	3.384	10	0		AGAERN
CC[C@H]1C(=O)CC(C)(C)C[C@@H]1C	39399871	571926787	/nfs/dbraw/zinc/92/67/87/571926787.db2.gz	DOKDNTOHNOOUAQ-DTWKUNHWSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@H]1C(=O)CC(C)(C)C[C@H]1C	39399868	571926798	/nfs/dbraw/zinc/92/67/98/571926798.db2.gz	DOKDNTOHNOOUAQ-RKDXNWHRSA-N	0	0	168.280	3.038	10	0		AGAERN
CCOC(=O)/C=C/C=C(\C)C(C)(C)C	300778768	571926869	/nfs/dbraw/zinc/92/68/69/571926869.db2.gz	RFRKETSIVFAMSF-FIFLTTCUSA-N	0	0	196.290	3.098	10	0		AGAERN
CC[C@@H]1C(=O)CC(C)(C)C[C@H]1C	39399870	571927019	/nfs/dbraw/zinc/92/70/19/571927019.db2.gz	DOKDNTOHNOOUAQ-BDAKNGLRSA-N	0	0	168.280	3.038	10	0		AGAERN
CC1(C)CCC[C@]2(C)[C@@H](O)CCC[C@H]12	196142219	571927035	/nfs/dbraw/zinc/92/70/35/571927035.db2.gz	XEXHTLZDQKEMHI-MDZLAQPJSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1cc2ncc(C)c(C)c2cc1C	39408318	571927089	/nfs/dbraw/zinc/92/70/89/571927089.db2.gz	YRYAMDQDHSYARZ-UHFFFAOYSA-N	0	0	185.270	3.468	10	0		AGAERN
CC[C@@H]1C(=O)CC(C)(C)C[C@@H]1C	39399873	571927125	/nfs/dbraw/zinc/92/71/25/571927125.db2.gz	DOKDNTOHNOOUAQ-IUCAKERBSA-N	0	0	168.280	3.038	10	0		AGAERN
C/C1=C/CCCCC(=O)CCC1	39390880	571927211	/nfs/dbraw/zinc/92/72/11/571927211.db2.gz	HNZRUPSHKQVDJN-POHAHGRESA-N	0	0	166.264	3.246	10	0		AGAERN
CC(C)(C)CCC[C@](C)(O)C1CC1	300791371	571927492	/nfs/dbraw/zinc/92/74/92/571927492.db2.gz	CKSWMHTTXCDTTM-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)(C)Oc1nc2ccccc2o1	39401606	571927881	/nfs/dbraw/zinc/92/78/81/571927881.db2.gz	NOQCRQAVECHJIO-UHFFFAOYSA-N	0	0	191.230	3.005	10	0		AGAERN
CCc1cc(Cl)c(N)c(Cl)c1	39401990	571928062	/nfs/dbraw/zinc/92/80/62/571928062.db2.gz	IDCOAQJASQBWRR-UHFFFAOYSA-N	0	0	190.073	3.138	10	0		AGAERN
C[C@@H]1CCC[C@@](O)(c2ccsc2)C1	39434026	571928422	/nfs/dbraw/zinc/92/84/22/571928422.db2.gz	UGNSVQRMIQFAIW-KOLCDFICSA-N	0	0	196.315	3.146	10	0		AGAERN
CC[C@@H](CO)CCCC(C)(C)C	300790761	571928488	/nfs/dbraw/zinc/92/84/88/571928488.db2.gz	XWKFMTUQJFYWBH-SNVBAGLBSA-N	0	0	172.312	3.221	10	0		AGAERN
c1ccc2c(c1)sc1c[nH]cc12	196157683	571928536	/nfs/dbraw/zinc/92/85/36/571928536.db2.gz	PPBCSRIEDYBEOT-UHFFFAOYSA-N	0	0	173.240	3.383	10	0		AGAERN
CC/C(=C\CO)c1cccc(Cl)c1	687681994	571928604	/nfs/dbraw/zinc/92/86/04/571928604.db2.gz	HBSYNCFFMBRNQY-RMKNXTFCSA-N	0	0	196.677	3.126	10	0		AGAERN
C[C@@H]1CCC[C@](O)(c2ccsc2)C1	39434024	571928897	/nfs/dbraw/zinc/92/88/97/571928897.db2.gz	UGNSVQRMIQFAIW-MWLCHTKSSA-N	0	0	196.315	3.146	10	0		AGAERN
CCSc1ccc(CC)cc1O	39419482	571928927	/nfs/dbraw/zinc/92/89/27/571928927.db2.gz	QDSPKGYIZNBAHC-UHFFFAOYSA-N	0	0	182.288	3.067	10	0		AGAERN
CC(C)=Cc1cccc(C)c1O	39604118	571933726	/nfs/dbraw/zinc/93/37/26/571933726.db2.gz	VXHAHKCYZKDIBF-UHFFFAOYSA-N	0	0	162.232	3.124	10	0		AGAERN
CC1CC(O)(CCCC(C)(C)C)C1	300793223	571929066	/nfs/dbraw/zinc/92/90/66/571929066.db2.gz	CSFPFZQQAUSVJL-UHFFFAOYSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](CO)CCCC(C)(C)C	300790760	571929228	/nfs/dbraw/zinc/92/92/28/571929228.db2.gz	XWKFMTUQJFYWBH-JTQLQIEISA-N	0	0	172.312	3.221	10	0		AGAERN
c1ccc2c(c1)NC[C@H]1CCCC[C@@H]21	39476201	571929318	/nfs/dbraw/zinc/92/93/18/571929318.db2.gz	FVYMIIXEOZUDRL-GHMZBOCLSA-N	0	0	187.286	3.386	10	0		AGAERN
OCC1CCCCCCCCC1	39432429	571929418	/nfs/dbraw/zinc/92/94/18/571929418.db2.gz	RCNFLHIGXJZJTB-UHFFFAOYSA-N	0	0	170.296	3.119	10	0		AGAERN
Cc1cc(O)c2c(c1C)CCCCC2	39420221	571929463	/nfs/dbraw/zinc/92/94/63/571929463.db2.gz	RLUWNSZKHIMOOT-UHFFFAOYSA-N	0	0	190.286	3.278	10	0		AGAERN
c1ccc2c(c1)NC[C@H]1CCCC[C@H]21	39476203	571930426	/nfs/dbraw/zinc/93/04/26/571930426.db2.gz	FVYMIIXEOZUDRL-MNOVXSKESA-N	0	0	187.286	3.386	10	0		AGAERN
CC(C)(C)CCC[C@@](C)(O)C1CC1	300791370	571929575	/nfs/dbraw/zinc/92/95/75/571929575.db2.gz	CKSWMHTTXCDTTM-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)=CCc1ccc([C@H](C)O)cc1	39424882	571929722	/nfs/dbraw/zinc/92/97/22/571929722.db2.gz	SOYMIIWJUYAODY-NSHDSACASA-N	0	0	190.286	3.249	10	0		AGAERN
CC1(C)CCCCC(C)(C)C1=O	39424367	571929741	/nfs/dbraw/zinc/92/97/41/571929741.db2.gz	JLKIAKRBHSJJCQ-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCC[C@@H]1CCCCCC1=O	39476639	571929878	/nfs/dbraw/zinc/92/98/78/571929878.db2.gz	UENGQMOTDCLRTI-SNVBAGLBSA-N	0	0	168.280	3.326	10	0		AGAERN
C[C@@H](c1ccccc1)c1cccnc1	39473921	571930298	/nfs/dbraw/zinc/93/02/98/571930298.db2.gz	QSWLESBOZBYNRI-NSHDSACASA-N	0	0	183.254	3.233	10	0		AGAERN
c1ccc2c(c1)NC[C@@H]1CCCC[C@H]21	39476207	571930307	/nfs/dbraw/zinc/93/03/07/571930307.db2.gz	FVYMIIXEOZUDRL-QWRGUYRKSA-N	0	0	187.286	3.386	10	0		AGAERN
CC/C(=C\CO)c1ccccc1Cl	687681992	571930382	/nfs/dbraw/zinc/93/03/82/571930382.db2.gz	ATTSEWMYKSEINX-VQHVLOKHSA-N	0	0	196.677	3.126	10	0		AGAERN
C/C=C1/CCC(=O)C12CCCCC2	39432439	571930387	/nfs/dbraw/zinc/93/03/87/571930387.db2.gz	JEIOEEVGESLDDA-SGAXSIHGSA-N	0	0	178.275	3.246	10	0		AGAERN
CC/C(=C\CO)c1ccc(Cl)cc1	687681996	571930393	/nfs/dbraw/zinc/93/03/93/571930393.db2.gz	LOWPGHJISQSKOD-VQHVLOKHSA-N	0	0	196.677	3.126	10	0		AGAERN
c1ccc2cc3c[nH]cc3cc2c1	39474067	571930422	/nfs/dbraw/zinc/93/04/22/571930422.db2.gz	HDWLTFIPCUUUDU-UHFFFAOYSA-N	0	0	167.211	3.321	10	0		AGAERN
CC(C)=CCc1ccc([C@@H](C)O)cc1	39424883	571930486	/nfs/dbraw/zinc/93/04/86/571930486.db2.gz	SOYMIIWJUYAODY-LLVKDONJSA-N	0	0	190.286	3.249	10	0		AGAERN
CC(C)=Cc1c(C)ccc(C)c1O	39419860	571930490	/nfs/dbraw/zinc/93/04/90/571930490.db2.gz	GKLANDPTGTZNGL-UHFFFAOYSA-N	0	0	176.259	3.432	10	0		AGAERN
CC1=C[C@]2(C)CCC(=O)[C@@]2(C)CC1	196158576	571930667	/nfs/dbraw/zinc/93/06/67/571930667.db2.gz	MCQRNXUWAUVZQM-NWDGAFQWSA-N	0	0	178.275	3.102	10	0		AGAERN
CCc1ccc([C@@H](O)[C@H](C)CC)s1	40242697	571930729	/nfs/dbraw/zinc/93/07/29/571930729.db2.gz	DNVIIWFEMMJUAU-KCJUWKMLSA-N	0	0	198.331	3.390	10	0		AGAERN
CCCC[C@H]1CCCCCC1=O	39476641	571930792	/nfs/dbraw/zinc/93/07/92/571930792.db2.gz	UENGQMOTDCLRTI-JTQLQIEISA-N	0	0	168.280	3.326	10	0		AGAERN
C[C@H](c1ccccc1)c1cccnc1	39473922	571930882	/nfs/dbraw/zinc/93/08/82/571930882.db2.gz	QSWLESBOZBYNRI-LLVKDONJSA-N	0	0	183.254	3.233	10	0		AGAERN
CC1=C[C@@]2(C)CCC(=O)[C@@]2(C)CC1	196158582	571930970	/nfs/dbraw/zinc/93/09/70/571930970.db2.gz	MCQRNXUWAUVZQM-VXGBXAGGSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@H](C(=O)C(C)(C)C)c1ccccc1	39422824	571930978	/nfs/dbraw/zinc/93/09/78/571930978.db2.gz	QZJXYOGAZYAYDK-JTQLQIEISA-N	0	0	190.286	3.405	10	0		AGAERN
C[C@@H](C(=O)C(C)(C)C)c1ccccc1	39422825	571931014	/nfs/dbraw/zinc/93/10/14/571931014.db2.gz	QZJXYOGAZYAYDK-SNVBAGLBSA-N	0	0	190.286	3.405	10	0		AGAERN
CC1=C[C@]2(C)CCC(=O)[C@]2(C)CC1	196158562	571931105	/nfs/dbraw/zinc/93/11/05/571931105.db2.gz	MCQRNXUWAUVZQM-RYUDHWBXSA-N	0	0	178.275	3.102	10	0		AGAERN
C/C=C1\CCC(=O)C12CCCCC2	39432437	571931138	/nfs/dbraw/zinc/93/11/38/571931138.db2.gz	JEIOEEVGESLDDA-WTDSWWLTSA-N	0	0	178.275	3.246	10	0		AGAERN
CC1=C[C@@]2(C)CCC(=O)[C@]2(C)CC1	196158568	571931156	/nfs/dbraw/zinc/93/11/56/571931156.db2.gz	MCQRNXUWAUVZQM-NEPJUHHUSA-N	0	0	178.275	3.102	10	0		AGAERN
c1ccc2c(c1)NC[C@@H]1CCCC[C@@H]21	39476205	571931164	/nfs/dbraw/zinc/93/11/64/571931164.db2.gz	FVYMIIXEOZUDRL-WDEREUQCSA-N	0	0	187.286	3.386	10	0		AGAERN
C[C@H]1CCC[C@](O)(c2ccsc2)C1	39434025	571931189	/nfs/dbraw/zinc/93/11/89/571931189.db2.gz	UGNSVQRMIQFAIW-GXSJLCMTSA-N	0	0	196.315	3.146	10	0		AGAERN
CCCCCC[C@H](O)C=C(F)F	34618357	571931876	/nfs/dbraw/zinc/93/18/76/571931876.db2.gz	VPMLFGDRNLMEMW-QMMMGPOBSA-N	0	0	178.222	3.098	10	0		AGAERN
CC(C)=CCc1ccc(O)c(C)c1	39602791	571932462	/nfs/dbraw/zinc/93/24/62/571932462.db2.gz	SYZGWPZWHVXOMI-UHFFFAOYSA-N	0	0	176.259	3.209	10	0		AGAERN
CCCCC1(CCCC)CCC(=O)O1	38611097	571932252	/nfs/dbraw/zinc/93/22/52/571932252.db2.gz	KZEKELDMLDBVFV-UHFFFAOYSA-N	0	0	198.306	3.443	10	0	endogenous,in-man	AGAERN
CC[C@H](CC(F)F)C[C@@H](CC)CO	687898502	571932383	/nfs/dbraw/zinc/93/23/83/571932383.db2.gz	BWTWSQCKELZNJT-DTWKUNHWSA-N	0	0	194.265	3.076	10	0		AGAERN
C/C=C/CCC(=O)CCCC	39617211	571932510	/nfs/dbraw/zinc/93/25/10/571932510.db2.gz	YUFSOUSMKJPHHQ-HWKANZROSA-N	0	0	154.253	3.102	10	0		AGAERN
Oc1ccccc1C=C(Cl)Cl	39601220	571933004	/nfs/dbraw/zinc/93/30/04/571933004.db2.gz	PLUAWAXWGIKHJI-UHFFFAOYSA-N	0	0	189.041	3.168	10	0		AGAERN
CC[C@@H](CO)C[C@@H](CC)CC(F)F	687898504	571933458	/nfs/dbraw/zinc/93/34/58/571933458.db2.gz	BWTWSQCKELZNJT-RKDXNWHRSA-N	0	0	194.265	3.076	10	0		AGAERN
CCC(C)(C)C(=O)C(C)(C)CC	113817257	571933567	/nfs/dbraw/zinc/93/35/67/571933567.db2.gz	BJNASNZFXHMMCX-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
Oc1ccc([C@@H]2C=CCCC2)cc1	39644158	571936889	/nfs/dbraw/zinc/93/68/89/571936889.db2.gz	UKMXDNASRAIBMA-SNVBAGLBSA-N	0	0	174.243	3.216	10	0		AGAERN
CC[C@H](CO)C[C@@H](CC)CC(F)F	687898501	571933784	/nfs/dbraw/zinc/93/37/84/571933784.db2.gz	BWTWSQCKELZNJT-BDAKNGLRSA-N	0	0	194.265	3.076	10	0		AGAERN
CC[C@H](CO)C[C@H](CC)CC(F)F	687898503	571934251	/nfs/dbraw/zinc/93/42/51/571934251.db2.gz	BWTWSQCKELZNJT-IUCAKERBSA-N	0	0	194.265	3.076	10	0		AGAERN
CC[C@H](C)c1ccc(Cl)nc1	39644049	571934838	/nfs/dbraw/zinc/93/48/38/571934838.db2.gz	AJXBOLQOORFSMX-ZETCQYMHSA-N	0	0	169.655	3.249	10	0		AGAERN
Cc1cc(O)c(C)c2ccccc12	39641830	571934869	/nfs/dbraw/zinc/93/48/69/571934869.db2.gz	INBDACYHPDXEOQ-UHFFFAOYSA-N	0	0	172.227	3.162	10	0		AGAERN
CC(C)CC1CCC([C@@H](C)O)CC1	39640609	571934989	/nfs/dbraw/zinc/93/49/89/571934989.db2.gz	KTDFDNNHCRKASX-VOMCLLRMSA-N	0	0	184.323	3.220	10	0		AGAERN
CCCCCC[C@@H](O)C=C(F)F	34618359	571935126	/nfs/dbraw/zinc/93/51/26/571935126.db2.gz	VPMLFGDRNLMEMW-MRVPVSSYSA-N	0	0	178.222	3.098	10	0		AGAERN
Clc1ccc2c(c1)N1CCC2CC1	39984676	571939597	/nfs/dbraw/zinc/93/95/97/571939597.db2.gz	LEDQKLZAXXMIMV-UHFFFAOYSA-N	0	0	193.677	3.037	10	0		AGAERN
CCOC(=O)[C@H]1[C@H](C)CCCC1(C)C	79329663	571935386	/nfs/dbraw/zinc/93/53/86/571935386.db2.gz	TUEUDXZEBRMJEV-NXEZZACHSA-N	0	0	198.306	3.012	10	0		AGAERN
Cc1cccc2c(O)ccc(C)c12	39641832	571935407	/nfs/dbraw/zinc/93/54/07/571935407.db2.gz	QVLNGVZKBZLFMC-UHFFFAOYSA-N	0	0	172.227	3.162	10	0		AGAERN
CCCCc1ccc(C(F)F)cn1	34618582	571935498	/nfs/dbraw/zinc/93/54/98/571935498.db2.gz	UAZWTJYGHLNHHT-UHFFFAOYSA-N	0	0	185.217	3.362	10	0		AGAERN
Cc1ccc(Cn2cccc2C)cc1	148398707	571935422	/nfs/dbraw/zinc/93/54/22/571935422.db2.gz	WQNADRDRAYNWJY-UHFFFAOYSA-N	0	0	185.270	3.153	10	0		AGAERN
C=Cc1nc(C(C)(C)C)cs1	167739607	571935427	/nfs/dbraw/zinc/93/54/27/571935427.db2.gz	MPHXNXLLOKVFTR-UHFFFAOYSA-N	0	0	167.277	3.084	10	0		AGAERN
COc1ccc2c(c1)CCC[C@@H]2C	39641597	571935564	/nfs/dbraw/zinc/93/55/64/571935564.db2.gz	ZWHPNHBMKJDFAL-VIFPVBQESA-N	0	0	176.259	3.135	10	0		AGAERN
CCCCc1cccnc1Cl	39649031	571935855	/nfs/dbraw/zinc/93/58/55/571935855.db2.gz	KBIHOMKCDSUHEI-UHFFFAOYSA-N	0	0	169.655	3.078	10	0		AGAERN
CC(=O)[C@@H](C)[C@@H](C)c1ccccc1	39643907	571936086	/nfs/dbraw/zinc/93/60/86/571936086.db2.gz	GIMAGMSJRGGXMF-VHSXEESVSA-N	0	0	176.259	3.015	10	0		AGAERN
CC(C)CC1CCC([C@H](C)O)CC1	39640611	571936180	/nfs/dbraw/zinc/93/61/80/571936180.db2.gz	KTDFDNNHCRKASX-UNXYVOJBSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(=O)[C@@H](C)[C@H](C)c1ccccc1	39643908	571936710	/nfs/dbraw/zinc/93/67/10/571936710.db2.gz	GIMAGMSJRGGXMF-UWVGGRQHSA-N	0	0	176.259	3.015	10	0		AGAERN
CC(=O)[C@H](C)[C@@H](C)c1ccccc1	39643905	571936742	/nfs/dbraw/zinc/93/67/42/571936742.db2.gz	GIMAGMSJRGGXMF-NXEZZACHSA-N	0	0	176.259	3.015	10	0		AGAERN
CC(=O)[C@H](C)[C@H](C)c1ccccc1	39643906	571936809	/nfs/dbraw/zinc/93/68/09/571936809.db2.gz	GIMAGMSJRGGXMF-ZJUUUORDSA-N	0	0	176.259	3.015	10	0		AGAERN
CC(C)[C@@H](CO)CCCC(C)(C)C	300802584	571937150	/nfs/dbraw/zinc/93/71/50/571937150.db2.gz	DVKBOAGXEWVJFX-LLVKDONJSA-N	0	0	186.339	3.467	10	0		AGAERN
Cc1cccnc1Oc1ccccc1	39647264	571937281	/nfs/dbraw/zinc/93/72/81/571937281.db2.gz	ZUPVXZCJNODNIH-UHFFFAOYSA-N	0	0	185.226	3.182	10	0		AGAERN
Oc1ccc([C@H]2C=CCCC2)cc1	39644157	571937305	/nfs/dbraw/zinc/93/73/05/571937305.db2.gz	UKMXDNASRAIBMA-JTQLQIEISA-N	0	0	174.243	3.216	10	0		AGAERN
CC(C)[C@H](CO)CCCC(C)(C)C	300802585	571937633	/nfs/dbraw/zinc/93/76/33/571937633.db2.gz	DVKBOAGXEWVJFX-NSHDSACASA-N	0	0	186.339	3.467	10	0		AGAERN
CC1(C[C@H](O)CCC2CCC2)CC1	401407844	571937924	/nfs/dbraw/zinc/93/79/24/571937924.db2.gz	PBLHHBGASDKZSF-LLVKDONJSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@@](C)(O)c1c(C)cc(C)cc1F	233965537	571938151	/nfs/dbraw/zinc/93/81/51/571938151.db2.gz	NVHRCZCSLAESTL-GFCCVEGCSA-N	0	0	196.265	3.060	10	0		AGAERN
CCCCc1ccccc1[C@@H](O)CC	39120350	571938532	/nfs/dbraw/zinc/93/85/32/571938532.db2.gz	QALWPMBUPQJOST-ZDUSSCGKSA-N	0	0	192.302	3.473	10	0		AGAERN
CC1(C)C[C@H]1[C@@H](O)CCC1CCCC1	300804390	571939197	/nfs/dbraw/zinc/93/91/97/571939197.db2.gz	WCAGGCZAQAHBPD-RYUDHWBXSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1(C[C@@H](O)CCC2CCC2)CC1	401407845	571939325	/nfs/dbraw/zinc/93/93/25/571939325.db2.gz	PBLHHBGASDKZSF-NSHDSACASA-N	0	0	182.307	3.118	10	0		AGAERN
CCC[C@@H](C)Sc1cccc(=O)[nH]1	39117108	571939560	/nfs/dbraw/zinc/93/95/60/571939560.db2.gz	OQKLZOCVNRMKOW-MRVPVSSYSA-N	0	0	197.303	3.068	10	0		AGAERN
COc1cccc(-c2cccc(C)c2)n1	200042592	571939566	/nfs/dbraw/zinc/93/95/66/571939566.db2.gz	JCEJQNJBASTERF-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
CC1(C)C[C@H]1[C@H](O)CCC1CCCC1	300804387	571939783	/nfs/dbraw/zinc/93/97/83/571939783.db2.gz	WCAGGCZAQAHBPD-NWDGAFQWSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC/C=C/COc1ccccc1O	200044318	571939954	/nfs/dbraw/zinc/93/99/54/571939954.db2.gz	RZDBWOOYRPKEGC-QPJJXVBHSA-N	0	0	192.258	3.127	10	0		AGAERN
CCCC(=O)O[C@H](C)c1cccs1	221154167	571940083	/nfs/dbraw/zinc/94/00/83/571940083.db2.gz	VRNWSBRHFQZTQE-MRVPVSSYSA-N	0	0	198.287	3.152	10	0		AGAERN
CCC(=O)CC[C@@H]1CCC(F)(F)C1	300804858	571940259	/nfs/dbraw/zinc/94/02/59/571940259.db2.gz	DJSYWUNVQOZMGJ-MRVPVSSYSA-N	0	0	190.233	3.181	10	0		AGAERN
O=C1CC=C(C2=CCCCC2)CC1	687684545	571940279	/nfs/dbraw/zinc/94/02/79/571940279.db2.gz	KYNZZGNEQJBYLP-UHFFFAOYSA-N	0	0	176.259	3.166	10	0		AGAERN
CCCCCSc1cccc(=O)[nH]1	39117106	571940712	/nfs/dbraw/zinc/94/07/12/571940712.db2.gz	BBDIAFRQLKRDER-UHFFFAOYSA-N	0	0	197.303	3.070	10	0		AGAERN
CC(C)(C)C[C@H](O)[C@@H]1[C@H]2CCCC[C@H]21	713135947	571940726	/nfs/dbraw/zinc/94/07/26/571940726.db2.gz	XSJBCEHQCYQLJW-WHOHXGKFSA-N	0	0	196.334	3.220	10	0		AGAERN
CCC(=O)CC[C@H]1CCC(F)(F)C1	300804863	571941181	/nfs/dbraw/zinc/94/11/81/571941181.db2.gz	DJSYWUNVQOZMGJ-QMMMGPOBSA-N	0	0	190.233	3.181	10	0		AGAERN
CCC[C@H](C)Sc1cccc(=O)[nH]1	39117110	571940843	/nfs/dbraw/zinc/94/08/43/571940843.db2.gz	OQKLZOCVNRMKOW-QMMMGPOBSA-N	0	0	197.303	3.068	10	0		AGAERN
CCc1occc1[C@H](O)C1CCCC1	234293697	571941393	/nfs/dbraw/zinc/94/13/93/571941393.db2.gz	ZSNFSOKVADFFMO-GFCCVEGCSA-N	0	0	194.274	3.066	10	0		AGAERN
CC1(C)C[C@@H]1[C@@H](O)CCC1CCCC1	300804385	571941427	/nfs/dbraw/zinc/94/14/27/571941427.db2.gz	WCAGGCZAQAHBPD-NEPJUHHUSA-N	0	0	196.334	3.364	10	0		AGAERN
CCCCc1ccccc1[C@H](O)CC	39120348	571941437	/nfs/dbraw/zinc/94/14/37/571941437.db2.gz	QALWPMBUPQJOST-CYBMUJFWSA-N	0	0	192.302	3.473	10	0		AGAERN
CC1(C)C[C@@H]1[C@H](O)CCC1CCCC1	300804391	571941440	/nfs/dbraw/zinc/94/14/40/571941440.db2.gz	WCAGGCZAQAHBPD-VXGBXAGGSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@H]1CCC[C@]1(O)CC(C)(C)C	713145919	571941804	/nfs/dbraw/zinc/94/18/04/571941804.db2.gz	OZMOVCDPSJCVPV-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)(C)CCCOc1cccnc1	300806036	571942017	/nfs/dbraw/zinc/94/20/17/571942017.db2.gz	FEWGYXUSBKZAGQ-UHFFFAOYSA-N	0	0	193.290	3.287	10	0		AGAERN
CC[C@H]1CCC[C@]1(O)CC(C)(C)C	713145918	571942141	/nfs/dbraw/zinc/94/21/41/571942141.db2.gz	OZMOVCDPSJCVPV-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H]1CCC[C@@]1(O)CC(C)(C)C	713145920	571942368	/nfs/dbraw/zinc/94/23/68/571942368.db2.gz	OZMOVCDPSJCVPV-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1ccoc1[C@@H](O)CC(C)(C)C	713145821	571942933	/nfs/dbraw/zinc/94/29/33/571942933.db2.gz	MWHVZDNUYKMUTH-VIFPVBQESA-N	0	0	182.263	3.058	10	0		AGAERN
CC[C@H]1CCC[C@@]1(O)CC(C)(C)C	713145917	571942949	/nfs/dbraw/zinc/94/29/49/571942949.db2.gz	OZMOVCDPSJCVPV-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](CC(F)F)CC(C)(C)CO	687901301	571943198	/nfs/dbraw/zinc/94/31/98/571943198.db2.gz	OCWAXUUJAUTOIU-MRVPVSSYSA-N	0	0	194.265	3.076	10	0		AGAERN
CCC[C@](O)(CC(C)(C)C)C1CC1	713144393	571943663	/nfs/dbraw/zinc/94/36/63/571943663.db2.gz	BEDCZPAGKQLEAH-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@@](O)(CC(C)(C)C)C1CC1	713144392	571943688	/nfs/dbraw/zinc/94/36/88/571943688.db2.gz	BEDCZPAGKQLEAH-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC1CC(c2nc3ccccc3[nH]2)C1	148780102	571943818	/nfs/dbraw/zinc/94/38/18/571943818.db2.gz	RLLAQFBBHZKKPL-UHFFFAOYSA-N	0	0	186.258	3.076	10	0		AGAERN
CC(C)[C@H](C)Nc1cccc(F)c1F	40229992	571944490	/nfs/dbraw/zinc/94/44/90/571944490.db2.gz	LIFGGECNQAKDAC-QMMMGPOBSA-N	0	0	199.244	3.421	10	0		AGAERN
CC(C)C1CCC([C@H](C)CO)CC1	31352028	571944509	/nfs/dbraw/zinc/94/45/09/571944509.db2.gz	XZAQOBPFWUNKMM-VOMCLLRMSA-N	0	0	184.323	3.077	10	0		AGAERN
CC(=O)c1csc2ccsc12	196405159	571944517	/nfs/dbraw/zinc/94/45/17/571944517.db2.gz	KIHBZLVGYJMRHY-UHFFFAOYSA-N	0	0	182.269	3.165	10	0		AGAERN
CC[C@@H](Nc1cccnc1F)C(C)C	401452495	571944810	/nfs/dbraw/zinc/94/48/10/571944810.db2.gz	XKPIHCCOZCXRCL-SECBINFHSA-N	0	0	196.269	3.067	10	0		AGAERN
Cc1cc(C)c(C(C)C)c(C)c1O	196403942	571944873	/nfs/dbraw/zinc/94/48/73/571944873.db2.gz	QFBQDUOGWIRZIB-UHFFFAOYSA-N	0	0	178.275	3.441	10	0		AGAERN
CC[C@H](C)CNc1ccc(C)c(O)c1	233974562	571945309	/nfs/dbraw/zinc/94/53/09/571945309.db2.gz	VLKDIAODPSFYGN-VIFPVBQESA-N	0	0	193.290	3.159	10	0		AGAERN
CC[C@@]1(C)Cc2ccc(C)cc2N1	196409102	571945180	/nfs/dbraw/zinc/94/51/80/571945180.db2.gz	NKVIOQODHFIILW-LBPRGKRZSA-N	0	0	175.275	3.132	10	0		AGAERN
c1ccc2c(C3CC3)ccnc2c1	196405120	571945531	/nfs/dbraw/zinc/94/55/31/571945531.db2.gz	MOMWNTUNSGBJED-UHFFFAOYSA-N	0	0	169.227	3.112	10	0		AGAERN
C[C@H](Nc1cccc(F)c1F)C1CC1	40230041	571945651	/nfs/dbraw/zinc/94/56/51/571945651.db2.gz	BUYODFLMDBLTCO-ZETCQYMHSA-N	0	0	197.228	3.175	10	0		AGAERN
CC1(C)CCCc2cc(C=O)ccc21	31362284	571945872	/nfs/dbraw/zinc/94/58/72/571945872.db2.gz	RWGORSOHMJJWQB-UHFFFAOYSA-N	0	0	188.270	3.113	10	0		AGAERN
CC(C)[C@@H](C)Nc1cccc(F)c1F	40229991	571946151	/nfs/dbraw/zinc/94/61/51/571946151.db2.gz	LIFGGECNQAKDAC-MRVPVSSYSA-N	0	0	199.244	3.421	10	0		AGAERN
CC(C)(C)C[C@]1(O)CCC(C)(C)C1	713146503	571946335	/nfs/dbraw/zinc/94/63/35/571946335.db2.gz	SNGBLUXGUUACKS-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](Nc1cccnc1F)C(C)C	401452496	571946358	/nfs/dbraw/zinc/94/63/58/571946358.db2.gz	XKPIHCCOZCXRCL-VIFPVBQESA-N	0	0	196.269	3.067	10	0		AGAERN
CC(C)(C)C[C@@]1(O)CCC(C)(C)C1	713146505	571946605	/nfs/dbraw/zinc/94/66/05/571946605.db2.gz	SNGBLUXGUUACKS-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC/C=C(\CCC)COC(C)=O	31351229	571946671	/nfs/dbraw/zinc/94/66/71/571946671.db2.gz	DOKHOJPVBMMDKY-FMIVXFBMSA-N	0	0	198.306	3.466	10	0		AGAERN
Cc1ccc([C@@H](O)C2CCCC2)s1	40242265	571947026	/nfs/dbraw/zinc/94/70/26/571947026.db2.gz	FITTUKHFPSLSKJ-NSHDSACASA-N	0	0	196.315	3.280	10	0		AGAERN
Cc1ccc([C@H](O)C2CCCC2)s1	40242264	571947126	/nfs/dbraw/zinc/94/71/26/571947126.db2.gz	FITTUKHFPSLSKJ-LLVKDONJSA-N	0	0	196.315	3.280	10	0		AGAERN
CC1CC([C@@H](O)CC(C)(C)C(C)C)C1	713147170	571947247	/nfs/dbraw/zinc/94/72/47/571947247.db2.gz	DGZNBTBLABXJCC-MCIGGMRASA-N	0	0	198.350	3.466	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1cc(C)ccc1C	40248289	571947262	/nfs/dbraw/zinc/94/72/62/571947262.db2.gz	AZIJYFLNXZCBEM-ZWNOBZJWSA-N	0	0	192.302	3.383	10	0		AGAERN
CC[C@@H](C)[C@](C)(O)c1cccs1	40237556	571947291	/nfs/dbraw/zinc/94/72/91/571947291.db2.gz	REMGCAAMWDUJSO-SCZZXKLOSA-N	0	0	184.304	3.002	10	0		AGAERN
CC[C@H](C)[C@H](O)c1cc(C)ccc1C	40248288	571947311	/nfs/dbraw/zinc/94/73/11/571947311.db2.gz	AZIJYFLNXZCBEM-GWCFXTLKSA-N	0	0	192.302	3.383	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1ccc(C)s1	40242162	571947426	/nfs/dbraw/zinc/94/74/26/571947426.db2.gz	SPBACTRJZXJCMW-XCBNKYQSSA-N	0	0	184.304	3.136	10	0		AGAERN
CC[C@H](C)[C@H](O)c1ccc(C)cc1C	40245817	571947458	/nfs/dbraw/zinc/94/74/58/571947458.db2.gz	HFTOIFDLOVOYQI-GWCFXTLKSA-N	0	0	192.302	3.383	10	0		AGAERN
CC[C@@](O)(c1cccs1)C(C)C	40237564	571947505	/nfs/dbraw/zinc/94/75/05/571947505.db2.gz	WWLSHRMKAXQJPH-JTQLQIEISA-N	0	0	184.304	3.002	10	0		AGAERN
C[C@@H]1CCC[C@@](O)(c2cccs2)C1	40237417	571947565	/nfs/dbraw/zinc/94/75/65/571947565.db2.gz	IZPLQTLMBVBUTB-KOLCDFICSA-N	0	0	196.315	3.146	10	0		AGAERN
CC(C)C1CCC([C@@H](C)CO)CC1	31352025	571947728	/nfs/dbraw/zinc/94/77/28/571947728.db2.gz	XZAQOBPFWUNKMM-UNXYVOJBSA-N	0	0	184.323	3.077	10	0		AGAERN
Cc1cc([C@H](O)[C@@H]2C[C@@H]2C)c(C)s1	40257355	571947902	/nfs/dbraw/zinc/94/79/02/571947902.db2.gz	CWRDDDMSQRCKOQ-PTHKFVFGSA-N	0	0	196.315	3.054	10	0		AGAERN
C[C@H]1CCC[C@](O)(c2cccs2)C1	40237415	571947998	/nfs/dbraw/zinc/94/79/98/571947998.db2.gz	IZPLQTLMBVBUTB-GXSJLCMTSA-N	0	0	196.315	3.146	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1ccc(Cl)cc1	40243843	571948071	/nfs/dbraw/zinc/94/80/71/571948071.db2.gz	CMPMLFUZGIOIMC-KCJUWKMLSA-N	0	0	198.693	3.420	10	0		AGAERN
CC(C)C(C)(C)C[C@H](O)[C@]1(C)C[C@H]1C	713147770	571948240	/nfs/dbraw/zinc/94/82/40/571948240.db2.gz	GCTKZUQUMYDFNW-NTZNESFSSA-N	0	0	198.350	3.466	10	0		AGAERN
CC[C@](O)(c1cccs1)C(C)C	40237566	571948272	/nfs/dbraw/zinc/94/82/72/571948272.db2.gz	WWLSHRMKAXQJPH-SNVBAGLBSA-N	0	0	184.304	3.002	10	0		AGAERN
C[C@@H]1CCC[C@](O)(c2cccs2)C1	40237413	571948340	/nfs/dbraw/zinc/94/83/40/571948340.db2.gz	IZPLQTLMBVBUTB-MWLCHTKSSA-N	0	0	196.315	3.146	10	0		AGAERN
Cc1cc([C@H](O)CC(C)C)c(C)s1	40257158	571948388	/nfs/dbraw/zinc/94/83/88/571948388.db2.gz	IVOBEOFGZZZNNM-LLVKDONJSA-N	0	0	198.331	3.444	10	0		AGAERN
CC(C)C(C)(C)C[C@H](O)[C@@]1(C)C[C@H]1C	713147769	571948424	/nfs/dbraw/zinc/94/84/24/571948424.db2.gz	GCTKZUQUMYDFNW-MDZLAQPJSA-N	0	0	198.350	3.466	10	0		AGAERN
Cc1ccc([C@H](O)C(C)(C)C)c(C)c1	40245908	571948670	/nfs/dbraw/zinc/94/86/70/571948670.db2.gz	PXKCTIHTKYOUBI-LBPRGKRZSA-N	0	0	192.302	3.383	10	0		AGAERN
CC[C@H](C)[C@H](O)c1cc(C)sc1C	40257201	571948674	/nfs/dbraw/zinc/94/86/74/571948674.db2.gz	UWNOTKKZNQVRGE-CPCISQLKSA-N	0	0	198.331	3.444	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1cc(C)ccc1C	40248290	571948748	/nfs/dbraw/zinc/94/87/48/571948748.db2.gz	AZIJYFLNXZCBEM-GXFFZTMASA-N	0	0	192.302	3.383	10	0		AGAERN
C[C@H]1CCC[C@@](O)(c2cccs2)C1	40237419	571948834	/nfs/dbraw/zinc/94/88/34/571948834.db2.gz	IZPLQTLMBVBUTB-ONGXEEELSA-N	0	0	196.315	3.146	10	0		AGAERN
CCC(=O)C(C)(C)CC(C)(C)C	113445153	571948847	/nfs/dbraw/zinc/94/88/47/571948847.db2.gz	KQSNDNJMDRPELT-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
Cc1ccc([C@@H](O)C(C)(C)C)cc1C	40241819	571948865	/nfs/dbraw/zinc/94/88/65/571948865.db2.gz	AMASXEXYWSIMEF-GFCCVEGCSA-N	0	0	192.302	3.383	10	0		AGAERN
CC[C@@H](C)C(=O)c1ccc(Cl)o1	233976007	571948930	/nfs/dbraw/zinc/94/89/30/571948930.db2.gz	WZMNNRBKSZXVNY-ZCFIWIBFSA-N	0	0	186.638	3.162	10	0		AGAERN
CC[C@H](C)[C@](C)(O)c1cccs1	40237558	571949010	/nfs/dbraw/zinc/94/90/10/571949010.db2.gz	REMGCAAMWDUJSO-WPRPVWTQSA-N	0	0	184.304	3.002	10	0		AGAERN
CC[C@@H](O)c1c(C)c(C)cc(C)c1C	40248785	571949114	/nfs/dbraw/zinc/94/91/14/571949114.db2.gz	UFCREVPEDRWFGS-GFCCVEGCSA-N	0	0	192.302	3.364	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1cc(C)sc1C	40257204	571949129	/nfs/dbraw/zinc/94/91/29/571949129.db2.gz	UWNOTKKZNQVRGE-WRWORJQWSA-N	0	0	198.331	3.444	10	0		AGAERN
CC[C@H](C)[C@H](O)c1ccc(C)s1	40242163	571949168	/nfs/dbraw/zinc/94/91/68/571949168.db2.gz	SPBACTRJZXJCMW-XVKPBYJWSA-N	0	0	184.304	3.136	10	0		AGAERN
Cc1cc([C@@H](O)CC(C)C)c(C)s1	40257160	571949211	/nfs/dbraw/zinc/94/92/11/571949211.db2.gz	IVOBEOFGZZZNNM-NSHDSACASA-N	0	0	198.331	3.444	10	0		AGAERN
CC[C@@H](C)[C@@](C)(O)c1cccs1	40237560	571949326	/nfs/dbraw/zinc/94/93/26/571949326.db2.gz	REMGCAAMWDUJSO-PSASIEDQSA-N	0	0	184.304	3.002	10	0		AGAERN
Cc1cc2cc(N)ccc2n1C(C)C	140499573	571949497	/nfs/dbraw/zinc/94/94/97/571949497.db2.gz	PXHGIFQJLBSORZ-UHFFFAOYSA-N	0	0	188.274	3.113	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1ccc(C)cc1C	40245818	571949517	/nfs/dbraw/zinc/94/95/17/571949517.db2.gz	HFTOIFDLOVOYQI-ZWNOBZJWSA-N	0	0	192.302	3.383	10	0		AGAERN
Cc1cc([C@@H](O)C2CCC2)c(C)s1	40257374	571949627	/nfs/dbraw/zinc/94/96/27/571949627.db2.gz	YXVPFUZPJBDLDZ-NSHDSACASA-N	0	0	196.315	3.198	10	0		AGAERN
Cc1ccc([C@@H](O)C(C)(C)C)s1	40242273	571949897	/nfs/dbraw/zinc/94/98/97/571949897.db2.gz	ZASCDPQEXDJPLV-SECBINFHSA-N	0	0	184.304	3.136	10	0		AGAERN
CC[C@H]1CNc2cc(C)cc(C)c2C1	11633236	571949953	/nfs/dbraw/zinc/94/99/53/571949953.db2.gz	TZCJSAZQCLSXNM-LLVKDONJSA-N	0	0	189.302	3.298	10	0		AGAERN
CC[C@H](C)[C@@](C)(O)c1cccs1	40237562	571949956	/nfs/dbraw/zinc/94/99/56/571949956.db2.gz	REMGCAAMWDUJSO-WCBMZHEXSA-N	0	0	184.304	3.002	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1cc(C)sc1C	40257199	571950079	/nfs/dbraw/zinc/95/00/79/571950079.db2.gz	UWNOTKKZNQVRGE-HQJQHLMTSA-N	0	0	198.331	3.444	10	0		AGAERN
CC(=O)c1cccc2c(F)cccc12	34421428	571950089	/nfs/dbraw/zinc/95/00/89/571950089.db2.gz	QOSSMMMAXRWUOP-UHFFFAOYSA-N	0	0	188.201	3.182	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1ccc(C)cc1C	40245816	571950090	/nfs/dbraw/zinc/95/00/90/571950090.db2.gz	HFTOIFDLOVOYQI-MFKMUULPSA-N	0	0	192.302	3.383	10	0		AGAERN
CC1CC([C@H](O)CC(C)(C)C(C)C)C1	713147168	571950145	/nfs/dbraw/zinc/95/01/45/571950145.db2.gz	DGZNBTBLABXJCC-HTAVTVPLSA-N	0	0	198.350	3.466	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1ccc(C)s1	40242164	571950194	/nfs/dbraw/zinc/95/01/94/571950194.db2.gz	SPBACTRJZXJCMW-GMSGAONNSA-N	0	0	184.304	3.136	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1cc(C)ccc1C	40248287	571950197	/nfs/dbraw/zinc/95/01/97/571950197.db2.gz	AZIJYFLNXZCBEM-MFKMUULPSA-N	0	0	192.302	3.383	10	0		AGAERN
Cc1cc(C)c(O)c(N=O)c1C	687751673	571950202	/nfs/dbraw/zinc/95/02/02/571950202.db2.gz	UHFREABUTGXYIR-UHFFFAOYSA-N	0	0	164.184	3.154	10	0		AGAERN
CC[C@H]1CNc2cc(C)c(C)cc2C1	11633240	571950208	/nfs/dbraw/zinc/95/02/08/571950208.db2.gz	CLMKMMVHIBHRFA-LLVKDONJSA-N	0	0	189.302	3.298	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1ccc(Cl)cc1	40243845	571950226	/nfs/dbraw/zinc/95/02/26/571950226.db2.gz	CMPMLFUZGIOIMC-LDYMZIIASA-N	0	0	198.693	3.420	10	0		AGAERN
CC(C)c1cccc2c1NC[C@H](C)C2	11633206	571950359	/nfs/dbraw/zinc/95/03/59/571950359.db2.gz	DONDLRMCEVMWLI-SNVBAGLBSA-N	0	0	189.302	3.414	10	0		AGAERN
CC[C@H]1CNc2c(C)ccc(C)c2C1	11633238	571950568	/nfs/dbraw/zinc/95/05/68/571950568.db2.gz	PJVGQWLSAKBRLT-LLVKDONJSA-N	0	0	189.302	3.298	10	0		AGAERN
Cc1ccc2c(c1)C[C@@H](C(C)C)CN2	11633296	571950797	/nfs/dbraw/zinc/95/07/97/571950797.db2.gz	ZBWWIAYKCJXRHW-GFCCVEGCSA-N	0	0	189.302	3.235	10	0		AGAERN
CC[C@@H]1CNc2c(C)cc(C)cc2C1	11633241	571950688	/nfs/dbraw/zinc/95/06/88/571950688.db2.gz	XXRXCYFYCMAYLL-NSHDSACASA-N	0	0	189.302	3.298	10	0		AGAERN
CC(C)c1cccc2c1NC[C@@H](C)C2	11633205	571951460	/nfs/dbraw/zinc/95/14/60/571951460.db2.gz	DONDLRMCEVMWLI-JTQLQIEISA-N	0	0	189.302	3.414	10	0		AGAERN
c1coc(C2SCCCS2)c1	39074826	571951486	/nfs/dbraw/zinc/95/14/86/571951486.db2.gz	CPFCAVHGVHEJQO-UHFFFAOYSA-N	0	0	186.301	3.148	10	0		AGAERN
C=Cc1ccc(Cc2ccccc2)[nH]1	139523292	571951521	/nfs/dbraw/zinc/95/15/21/571951521.db2.gz	WALQMNYXEPXOOR-UHFFFAOYSA-N	0	0	183.254	3.249	10	0		AGAERN
CC1=C[C@@]2(CC1)C(=O)CCC[C@H]2C	139569837	571951682	/nfs/dbraw/zinc/95/16/82/571951682.db2.gz	LGLDUYIWEYSASE-ZYHUDNBSSA-N	0	0	178.275	3.102	10	0		AGAERN
F[C@@H]1CCCC[C@H]1Nc1ccccc1	139540435	571951850	/nfs/dbraw/zinc/95/18/50/571951850.db2.gz	VMWVRFYCKDZWPY-VXGBXAGGSA-N	0	0	193.265	3.379	10	0		AGAERN
Nc1c(Cl)cc(F)c2ccccc12	139576379	571951997	/nfs/dbraw/zinc/95/19/97/571951997.db2.gz	WVLNFJQTKJCZRB-UHFFFAOYSA-N	0	0	195.624	3.215	10	0		AGAERN
CC[C@H](C)[C@H](O)[C@H](C)C(C)(C)C	113889633	571952778	/nfs/dbraw/zinc/95/27/78/571952778.db2.gz	JJSKTLOGCLHMOX-GUBZILKMSA-N	0	0	172.312	3.076	10	0		AGAERN
CCc1cccc2c1NC[C@H](CC)C2	11633264	571952468	/nfs/dbraw/zinc/95/24/68/571952468.db2.gz	NFPXRKZPSSFRES-SNVBAGLBSA-N	0	0	189.302	3.243	10	0		AGAERN
CC[C@H](C)[C@H](O)[C@@H](C)C(C)(C)C	113889629	571952516	/nfs/dbraw/zinc/95/25/16/571952516.db2.gz	JJSKTLOGCLHMOX-AEJSXWLSSA-N	0	0	172.312	3.076	10	0		AGAERN
CC[C@H]1CNc2c(C)cc(C)cc2C1	11633242	571952640	/nfs/dbraw/zinc/95/26/40/571952640.db2.gz	XXRXCYFYCMAYLL-LLVKDONJSA-N	0	0	189.302	3.298	10	0		AGAERN
CC(C)[C@@H]1CC=Cc2cccn21	39081508	571952819	/nfs/dbraw/zinc/95/28/19/571952819.db2.gz	GRARCVDBIWXSEH-NSHDSACASA-N	0	0	161.248	3.102	10	0		AGAERN
CC[C@H]1CNc2c(ccc(C)c2C)C1	11633278	571952647	/nfs/dbraw/zinc/95/26/47/571952647.db2.gz	RMIVGJKSILUNGF-LLVKDONJSA-N	0	0	189.302	3.298	10	0		AGAERN
Cc1cccc2c1NC[C@H](C(C)C)C2	11633292	571952721	/nfs/dbraw/zinc/95/27/21/571952721.db2.gz	UZAQQJAVXABIFL-GFCCVEGCSA-N	0	0	189.302	3.235	10	0		AGAERN
Cc1cccc2c1NC[C@@H](C(C)C)C2	11633291	571952785	/nfs/dbraw/zinc/95/27/85/571952785.db2.gz	UZAQQJAVXABIFL-LBPRGKRZSA-N	0	0	189.302	3.235	10	0		AGAERN
CC(C)c1ccc2c(c1)C[C@H](C)CN2	11633207	571952801	/nfs/dbraw/zinc/95/28/01/571952801.db2.gz	VNUPZHIYVQONDC-JTQLQIEISA-N	0	0	189.302	3.414	10	0		AGAERN
Cc1ccc2c(c1)C[C@H](C(C)C)CN2	11633295	571952938	/nfs/dbraw/zinc/95/29/38/571952938.db2.gz	ZBWWIAYKCJXRHW-LBPRGKRZSA-N	0	0	189.302	3.235	10	0		AGAERN
CCc1csc(C(F)(F)F)c1	140588593	571953559	/nfs/dbraw/zinc/95/35/59/571953559.db2.gz	ZXJDBJOGMVLOQV-UHFFFAOYSA-N	0	0	180.194	3.329	10	0		AGAERN
Cc1ccc2[nH]c(Cl)cc2c1	139622547	571953608	/nfs/dbraw/zinc/95/36/08/571953608.db2.gz	YZPSYLKGNNEXMD-UHFFFAOYSA-N	0	0	165.623	3.130	10	0		AGAERN
Cc1cc(O)c(-c2cccnc2)cc1C	34632842	571954257	/nfs/dbraw/zinc/95/42/57/571954257.db2.gz	AXFJANUFWXXUTF-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
C=C(C1=CCC1)c1ccccc1O	139587211	571954375	/nfs/dbraw/zinc/95/43/75/571954375.db2.gz	ZUALIPALHVIPMP-UHFFFAOYSA-N	0	0	172.227	3.126	10	0		AGAERN
CC(C)C[C@@H](C)C1=CCC(=O)CC1	687687834	571954735	/nfs/dbraw/zinc/95/47/35/571954735.db2.gz	GWJIGWVACHWTLU-SNVBAGLBSA-N	0	0	180.291	3.348	10	0		AGAERN
CCCC[C@@H](C)c1ccc(O)cc1O	113899325	571954949	/nfs/dbraw/zinc/95/49/49/571954949.db2.gz	FWCKHFTXEFRAIE-SECBINFHSA-N	0	0	194.274	3.392	10	0		AGAERN
CC(C)C[C@H](C)C1=CCC(=O)CC1	687687833	571955385	/nfs/dbraw/zinc/95/53/85/571955385.db2.gz	GWJIGWVACHWTLU-JTQLQIEISA-N	0	0	180.291	3.348	10	0		AGAERN
c1ccc2c(-c3ccon3)cccc2c1	79848892	571955444	/nfs/dbraw/zinc/95/54/44/571955444.db2.gz	AGXJPDBQYASJSB-UHFFFAOYSA-N	0	0	195.221	3.495	10	0		AGAERN
CCCC[C@H](C)c1ccc(O)cc1O	113899326	571955491	/nfs/dbraw/zinc/95/54/91/571955491.db2.gz	FWCKHFTXEFRAIE-VIFPVBQESA-N	0	0	194.274	3.392	10	0		AGAERN
CC[C@H](C)[C@@H](c1ccccc1)[C@@H](C)O	79887627	571955601	/nfs/dbraw/zinc/95/56/01/571955601.db2.gz	YSIUSZQHCHHPOA-DMDPSCGWSA-N	0	0	192.302	3.197	10	0		AGAERN
Cc1cc(N)ccc1NCC(C)(C)C	40494623	571955824	/nfs/dbraw/zinc/95/58/24/571955824.db2.gz	CNJZBCRYFATNAT-UHFFFAOYSA-N	0	0	192.306	3.035	10	0		AGAERN
CC[C@H]1CNc2ccc(Cl)cc2C1	11987450	571957331	/nfs/dbraw/zinc/95/73/31/571957331.db2.gz	WMRBYKSEINEALA-MRVPVSSYSA-N	0	0	195.693	3.334	10	0		AGAERN
CC[C@H](C)[C@H](c1ccccc1)[C@@H](C)O	79887637	571956123	/nfs/dbraw/zinc/95/61/23/571956123.db2.gz	YSIUSZQHCHHPOA-LOWVWBTDSA-N	0	0	192.302	3.197	10	0		AGAERN
CC(C)[C@@H]1CNc2cc(F)ccc2C1	11987570	571956196	/nfs/dbraw/zinc/95/61/96/571956196.db2.gz	VDJFGARHCLLZEV-JTQLQIEISA-N	0	0	193.265	3.066	10	0		AGAERN
CCc1cc(Cl)cc2cnoc12	140626766	571956292	/nfs/dbraw/zinc/95/62/92/571956292.db2.gz	KCGJVPONIUFIAD-UHFFFAOYSA-N	0	0	181.622	3.044	10	0		AGAERN
CCCCCCOc1cccnc1	79679513	571956367	/nfs/dbraw/zinc/95/63/67/571956367.db2.gz	UHMHBLNZCLNTJN-UHFFFAOYSA-N	0	0	179.263	3.041	10	0		AGAERN
CC[C@H]1CNc2cc(Cl)ccc2C1	11987447	571956637	/nfs/dbraw/zinc/95/66/37/571956637.db2.gz	RVRFAWYUTLRAAT-MRVPVSSYSA-N	0	0	195.693	3.334	10	0		AGAERN
CCc1c(C)cc(OC)c(C)c1C	34475190	571956642	/nfs/dbraw/zinc/95/66/42/571956642.db2.gz	OQIHNXGBOHIDHW-UHFFFAOYSA-N	0	0	178.275	3.183	10	0		AGAERN
Cc1cc2c(cc1Cl)C[C@H](C)CN2	11987383	571956655	/nfs/dbraw/zinc/95/66/55/571956655.db2.gz	JNXSXNNSDLPQSF-ZETCQYMHSA-N	0	0	195.693	3.253	10	0		AGAERN
Cc1ccc(Cl)c2c1NC[C@H](C)C2	11987373	571956843	/nfs/dbraw/zinc/95/68/43/571956843.db2.gz	WJQORZUSIFDNBK-SSDOTTSWSA-N	0	0	195.693	3.253	10	0		AGAERN
Cc1c(Cl)ccc2c1NC[C@H](C)C2	11987369	571957005	/nfs/dbraw/zinc/95/70/05/571957005.db2.gz	QKNKRSAIQMZZHY-SSDOTTSWSA-N	0	0	195.693	3.253	10	0		AGAERN
Cc1cc2c(cc1Cl)NC[C@@H](C)C2	11987375	571958132	/nfs/dbraw/zinc/95/81/32/571958132.db2.gz	WCTSKMQYWMYKCY-ZETCQYMHSA-N	0	0	195.693	3.253	10	0		AGAERN
Cc1ccc2c(c1)C(C)(C)[C@@H](C)N2	34470206	571957708	/nfs/dbraw/zinc/95/77/08/571957708.db2.gz	ZQPABZNKGKTAKY-SECBINFHSA-N	0	0	175.275	3.087	10	0		AGAERN
CC[C@@H]1CNc2ccc(Cl)cc2C1	11987449	571957776	/nfs/dbraw/zinc/95/77/76/571957776.db2.gz	WMRBYKSEINEALA-QMMMGPOBSA-N	0	0	195.693	3.334	10	0		AGAERN
Cc1cc(Cl)cc2c1NC[C@H](C)C2	11987359	571958433	/nfs/dbraw/zinc/95/84/33/571958433.db2.gz	AFPXLXQJGGFPHU-SSDOTTSWSA-N	0	0	195.693	3.253	10	0		AGAERN
CCC(OCC(C)C)OCC(C)C	80019935	571958500	/nfs/dbraw/zinc/95/85/00/571958500.db2.gz	USYFLBOYMYXIBN-UHFFFAOYSA-N	0	0	188.311	3.068	10	0		AGAERN
Cc1cc2c(cc1Cl)C[C@@H](C)CN2	11987386	571958744	/nfs/dbraw/zinc/95/87/44/571958744.db2.gz	JNXSXNNSDLPQSF-SSDOTTSWSA-N	0	0	195.693	3.253	10	0		AGAERN
CC(C)(C)C[C@H](O)C(C1CC1)C1CC1	713155369	571958745	/nfs/dbraw/zinc/95/87/45/571958745.db2.gz	SQVCBPLYKBXQHJ-NSHDSACASA-N	0	0	196.334	3.220	10	0		AGAERN
CC(C)[C@H]1CNc2c(F)cccc2C1	11987569	571958881	/nfs/dbraw/zinc/95/88/81/571958881.db2.gz	VKPZUMVOJYPFNJ-SNVBAGLBSA-N	0	0	193.265	3.066	10	0		AGAERN
CC(C)[C@@H]1CNc2c(F)cccc2C1	11987567	571958990	/nfs/dbraw/zinc/95/89/90/571958990.db2.gz	VKPZUMVOJYPFNJ-JTQLQIEISA-N	0	0	193.265	3.066	10	0		AGAERN
CCC[C@H](C)Oc1ccc(C)c(N)c1	300817695	571959082	/nfs/dbraw/zinc/95/90/82/571959082.db2.gz	AFDLPFDKKORLJI-JTQLQIEISA-N	0	0	193.290	3.145	10	0		AGAERN
CC[C@@H]1CNc2cc(Cl)ccc2C1	11987444	571959158	/nfs/dbraw/zinc/95/91/58/571959158.db2.gz	RVRFAWYUTLRAAT-QMMMGPOBSA-N	0	0	195.693	3.334	10	0		AGAERN
Cc1ccc(Cl)c2c1NC[C@@H](C)C2	11987371	571959273	/nfs/dbraw/zinc/95/92/73/571959273.db2.gz	WJQORZUSIFDNBK-ZETCQYMHSA-N	0	0	195.693	3.253	10	0		AGAERN
C/C=C/CCc1ccc(OC)cc1	34492074	571959339	/nfs/dbraw/zinc/95/93/39/571959339.db2.gz	YAJWTQZEDNMEEV-ONEGZZNKSA-N	0	0	176.259	3.204	10	0		AGAERN
CCSc1ccc(C(C)=O)s1	31893652	571959564	/nfs/dbraw/zinc/95/95/64/571959564.db2.gz	ACNJWTFNVKXPJC-UHFFFAOYSA-N	0	0	186.301	3.063	10	0		AGAERN
CCC[C@@H](C)Oc1ccc(C)c(N)c1	300817698	571959888	/nfs/dbraw/zinc/95/98/88/571959888.db2.gz	AFDLPFDKKORLJI-SNVBAGLBSA-N	0	0	193.290	3.145	10	0		AGAERN
Cc1cc(C)c2c(c1)NCCCC2	31889022	571960167	/nfs/dbraw/zinc/96/01/67/571960167.db2.gz	NFJZXHSECVMGKA-UHFFFAOYSA-N	0	0	175.275	3.052	10	0		AGAERN
C[C@@H](Oc1cccnc1)c1ccccc1	80276036	571960179	/nfs/dbraw/zinc/96/01/79/571960179.db2.gz	NRAPBWCJYVOMNU-LLVKDONJSA-N	0	0	199.253	3.222	10	0		AGAERN
C/C(=C/c1cccc2ccccc12)CO	80358622	571960579	/nfs/dbraw/zinc/96/05/79/571960579.db2.gz	VSHXOYCQOPQPPV-LUAWRHEFSA-N	0	0	198.265	3.235	10	0		AGAERN
O=C(CCCC1CCCC1)C1CC1	80384628	571960774	/nfs/dbraw/zinc/96/07/74/571960774.db2.gz	FYICSCJUBJZFBX-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
CC[C@@H](C)Sc1cccc(F)n1	40712346	571961783	/nfs/dbraw/zinc/96/17/83/571961783.db2.gz	CJVRNKZYEAEXQR-SSDOTTSWSA-N	0	0	185.267	3.111	10	0		AGAERN
CCc1ccc(CC(C)C)cc1N	32007036	571961904	/nfs/dbraw/zinc/96/19/04/571961904.db2.gz	PGPMVILANOVDAD-UHFFFAOYSA-N	0	0	177.291	3.030	10	0		AGAERN
CC[C@H](C)Sc1cccc(F)n1	40712347	571961934	/nfs/dbraw/zinc/96/19/34/571961934.db2.gz	CJVRNKZYEAEXQR-ZETCQYMHSA-N	0	0	185.267	3.111	10	0		AGAERN
CCOC(=O)/C=C/C=C/C(CC)CC	300821925	571961960	/nfs/dbraw/zinc/96/19/60/571961960.db2.gz	ZGSKVCQEHQXGIF-FIFLTTCUSA-N	0	0	196.290	3.098	10	0		AGAERN
CC(C)c1ccc([C@H](O)C(C)C)cc1	32008588	571961987	/nfs/dbraw/zinc/96/19/87/571961987.db2.gz	KJKGXTKTCHMNAQ-CYBMUJFWSA-N	0	0	192.302	3.499	10	0		AGAERN
C[C@H](Oc1cccnc1)c1ccccc1	80276031	571962480	/nfs/dbraw/zinc/96/24/80/571962480.db2.gz	NRAPBWCJYVOMNU-NSHDSACASA-N	0	0	199.253	3.222	10	0		AGAERN
O[C@H](c1cccs1)C1CCCCC1	32009411	571962298	/nfs/dbraw/zinc/96/22/98/571962298.db2.gz	HOLAPZNLQDHKQJ-NSHDSACASA-N	0	0	196.315	3.362	10	0		AGAERN
CC(C)c1ccc([C@@H](O)C(C)C)cc1	32008590	571962753	/nfs/dbraw/zinc/96/27/53/571962753.db2.gz	KJKGXTKTCHMNAQ-ZDUSSCGKSA-N	0	0	192.302	3.499	10	0		AGAERN
CCCCCCC1=C(C)CC(=O)O1	687816123	571963473	/nfs/dbraw/zinc/96/34/73/571963473.db2.gz	XBAGPPUVWYTQTD-UHFFFAOYSA-N	0	0	182.263	3.178	10	0		AGAERN
O[C@H](CCCC1CCCC1)C1CC1	80478389	571963492	/nfs/dbraw/zinc/96/34/92/571963492.db2.gz	ICCWHWDTUBGHSK-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@@H](OC(C)(C)C)c1cccc(N)c1	40908495	571963742	/nfs/dbraw/zinc/96/37/42/571963742.db2.gz	ABFCAKZCSNIXSG-SECBINFHSA-N	0	0	193.290	3.145	10	0		AGAERN
O[C@@H](CCCC1CCCC1)C1CC1	80478386	571963759	/nfs/dbraw/zinc/96/37/59/571963759.db2.gz	ICCWHWDTUBGHSK-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
CCCCCC[C@H]1CC[C@H](O)C1	80475730	571963821	/nfs/dbraw/zinc/96/38/21/571963821.db2.gz	KCRLHHSPRTYAHC-QWRGUYRKSA-N	0	0	170.296	3.118	10	0		AGAERN
CCCCCC[C@@H]1CC[C@H](O)C1	80475727	571963868	/nfs/dbraw/zinc/96/38/68/571963868.db2.gz	KCRLHHSPRTYAHC-MNOVXSKESA-N	0	0	170.296	3.118	10	0		AGAERN
CCc1c(O)cccc1C(C)(C)C	59666766	571963994	/nfs/dbraw/zinc/96/39/94/571963994.db2.gz	VBISDJDBMWVNLR-UHFFFAOYSA-N	0	0	178.275	3.252	10	0		AGAERN
CCS[C@H](C)c1ccc(N)cc1	40909315	571964126	/nfs/dbraw/zinc/96/41/26/571964126.db2.gz	JYCXYDRDMORNMU-MRVPVSSYSA-N	0	0	181.304	3.083	10	0		AGAERN
CCS[C@@H](C)c1cccc(N)c1	40908648	571964147	/nfs/dbraw/zinc/96/41/47/571964147.db2.gz	UYDDWARRVRZSIL-QMMMGPOBSA-N	0	0	181.304	3.083	10	0		AGAERN
CC(C)C[C@H](C)COc1cccnc1	300820128	571964230	/nfs/dbraw/zinc/96/42/30/571964230.db2.gz	AYKWNHUYQANPJF-NSHDSACASA-N	0	0	193.290	3.143	10	0		AGAERN
CCS[C@@H](C)c1ccc(N)cc1	40909314	571964440	/nfs/dbraw/zinc/96/44/40/571964440.db2.gz	JYCXYDRDMORNMU-QMMMGPOBSA-N	0	0	181.304	3.083	10	0		AGAERN
CC(C)C[C@H](C)C[C@@H](O)[C@@H](C)C1CC1	300823213	571964470	/nfs/dbraw/zinc/96/44/70/571964470.db2.gz	BGCGOVFJUYWITH-GMXVVIOVSA-N	0	0	198.350	3.466	10	0		AGAERN
CCCC[C@H]1CCCCC(=O)C1	32135620	571964554	/nfs/dbraw/zinc/96/45/54/571964554.db2.gz	GFPSZYZCCVSIOE-JTQLQIEISA-N	0	0	168.280	3.326	10	0		AGAERN
CCCC[C@@]1(C)CCCC(=O)C1	32135625	571964621	/nfs/dbraw/zinc/96/46/21/571964621.db2.gz	LRZIMYVFZMSTKI-NSHDSACASA-N	0	0	168.280	3.326	10	0		AGAERN
CC(C)C[C@@H](C)COc1cccnc1	300820122	571964710	/nfs/dbraw/zinc/96/47/10/571964710.db2.gz	AYKWNHUYQANPJF-LLVKDONJSA-N	0	0	193.290	3.143	10	0		AGAERN
Nc1ccc(C2C=CC=CC=C2)cc1	32133021	571964729	/nfs/dbraw/zinc/96/47/29/571964729.db2.gz	FWLVMYVWZGRACE-UHFFFAOYSA-N	0	0	183.254	3.035	10	0		AGAERN
C[C@H](OC(C)(C)C)c1cccc(N)c1	40908494	571964745	/nfs/dbraw/zinc/96/47/45/571964745.db2.gz	ABFCAKZCSNIXSG-VIFPVBQESA-N	0	0	193.290	3.145	10	0		AGAERN
CCC[C@@H](C)O[C@H](C)CCC	59684796	571964974	/nfs/dbraw/zinc/96/49/74/571964974.db2.gz	UVEFRWMGQRNNDB-NXEZZACHSA-N	0	0	158.285	3.380	10	0		AGAERN
O[C@H](C1=CCCCC1)c1ccccc1	32131534	571964870	/nfs/dbraw/zinc/96/48/70/571964870.db2.gz	HXTPVTCKOJGELA-ZDUSSCGKSA-N	0	0	188.270	3.220	10	0		AGAERN
CC(C)S[C@@H](C)c1ccc(N)cc1	40909358	571964939	/nfs/dbraw/zinc/96/49/39/571964939.db2.gz	UPOFSCYMYNJCRH-VIFPVBQESA-N	0	0	195.331	3.471	10	0		AGAERN
CCC[C@H](C)O[C@@H](C)CCC	59684790	571965042	/nfs/dbraw/zinc/96/50/42/571965042.db2.gz	UVEFRWMGQRNNDB-UWVGGRQHSA-N	0	0	158.285	3.380	10	0		AGAERN
CC(C)C[C@H](C)C[C@H]1CCC[C@@H]1O	300823362	571965031	/nfs/dbraw/zinc/96/50/31/571965031.db2.gz	GGHVDLKFSDNYOT-TUAOUCFPSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1cnn(C2CCCCCC2)c1	40928723	571965239	/nfs/dbraw/zinc/96/52/39/571965239.db2.gz	SKBYOCQTVGNQKR-UHFFFAOYSA-N	0	0	178.279	3.087	10	0		AGAERN
CC(C)C[C@H](C)C[C@@H]1CCC[C@@H]1O	300823360	571965275	/nfs/dbraw/zinc/96/52/75/571965275.db2.gz	GGHVDLKFSDNYOT-SRVKXCTJSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@H](C)C[C@H](O)[C@@H](C)C1CC1	300823215	571965287	/nfs/dbraw/zinc/96/52/87/571965287.db2.gz	BGCGOVFJUYWITH-GVXVVHGQSA-N	0	0	198.350	3.466	10	0		AGAERN
CCC[C@H](O)CCCCC(C)C	80476603	571965423	/nfs/dbraw/zinc/96/54/23/571965423.db2.gz	OEYJAKXSTMGBCD-NSHDSACASA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@H](C)O[C@H](C)CCC	59684785	571965463	/nfs/dbraw/zinc/96/54/63/571965463.db2.gz	UVEFRWMGQRNNDB-AOOOYVTPSA-N	0	0	158.285	3.380	10	0		AGAERN
CC(C)C[C@H](C)C[C@H]1CCC[C@H]1O	300823356	571965892	/nfs/dbraw/zinc/96/58/92/571965892.db2.gz	GGHVDLKFSDNYOT-QJPTWQEYSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@H](C)C[C@@H](O)[C@H](C)C1CC1	300823211	571965573	/nfs/dbraw/zinc/96/55/73/571965573.db2.gz	BGCGOVFJUYWITH-DMDPSCGWSA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)(C)CCc1ccccn1	32132809	571965814	/nfs/dbraw/zinc/96/58/14/571965814.db2.gz	UDKWYRGEQAXLSD-UHFFFAOYSA-N	0	0	163.264	3.060	10	0		AGAERN
CCCCCC[C@H]1CC[C@@H](O)C1	80475740	571965942	/nfs/dbraw/zinc/96/59/42/571965942.db2.gz	KCRLHHSPRTYAHC-WDEREUQCSA-N	0	0	170.296	3.118	10	0		AGAERN
CCCC[C@@H]1CCCCC(=O)C1	32135619	571965993	/nfs/dbraw/zinc/96/59/93/571965993.db2.gz	GFPSZYZCCVSIOE-SNVBAGLBSA-N	0	0	168.280	3.326	10	0		AGAERN
CCCCCCC(=O)c1ccc[nH]1	39277990	571966051	/nfs/dbraw/zinc/96/60/51/571966051.db2.gz	NYYLLQUGWKHSDK-UHFFFAOYSA-N	0	0	179.263	3.168	10	0		AGAERN
Cc1ccc(NC(C)(C)C)cc1	32146857	571966164	/nfs/dbraw/zinc/96/61/64/571966164.db2.gz	XVOOKSRPDMBTAI-UHFFFAOYSA-N	0	0	163.264	3.205	10	0		AGAERN
CCCC[C@@H]1CCCS1	32149959	571966846	/nfs/dbraw/zinc/96/68/46/571966846.db2.gz	NBPQJOLVXAKDFK-MRVPVSSYSA-N	0	0	144.283	3.072	10	0		AGAERN
CCc1ccc(-c2ccco2)cc1N	41048866	571966290	/nfs/dbraw/zinc/96/62/90/571966290.db2.gz	SDASFYCNWWZDHJ-UHFFFAOYSA-N	0	0	187.242	3.091	10	0		AGAERN
C[C@@]1(c2ccc(Cl)s2)CCO1	219302872	571966468	/nfs/dbraw/zinc/96/64/68/571966468.db2.gz	IOUIDHYGDJYWOP-QMMMGPOBSA-N	0	0	188.679	3.037	10	0		AGAERN
CCCCC(=O)[C@H]1CCC(F)(F)C1	300827532	571966822	/nfs/dbraw/zinc/96/68/22/571966822.db2.gz	DYIRZFIDRDNVFY-QMMMGPOBSA-N	0	0	190.233	3.181	10	0		AGAERN
Cc1cc(-c2ccc(N)cc2)c(C)o1	41048919	571966806	/nfs/dbraw/zinc/96/68/06/571966806.db2.gz	LAOPMAOLUMXRFS-UHFFFAOYSA-N	0	0	187.242	3.146	10	0		AGAERN
CCCc1ccc(CC)s1	32154140	571966872	/nfs/dbraw/zinc/96/68/72/571966872.db2.gz	DXZDTEKFDJNGCS-UHFFFAOYSA-N	0	0	154.278	3.263	10	0		AGAERN
CCCC[C@H]1CCCS1	32149964	571966897	/nfs/dbraw/zinc/96/68/97/571966897.db2.gz	NBPQJOLVXAKDFK-QMMMGPOBSA-N	0	0	144.283	3.072	10	0		AGAERN
CC1=C(CCCO)C(C)(C)CCC1	32149146	571966925	/nfs/dbraw/zinc/96/69/25/571966925.db2.gz	OWIZBHRKPGPVJL-UHFFFAOYSA-N	0	0	182.307	3.286	10	0		AGAERN
CC(C)(C)CC[C@H](O)Cc1ccco1	300827703	571967020	/nfs/dbraw/zinc/96/70/20/571967020.db2.gz	HVSKLSQDTNLAJB-JTQLQIEISA-N	0	0	196.290	3.009	10	0		AGAERN
Cc1ccc(SC(C)(C)C)cn1	32151854	571967110	/nfs/dbraw/zinc/96/71/10/571967110.db2.gz	JKXJDOBWRNBBMA-UHFFFAOYSA-N	0	0	181.304	3.281	10	0		AGAERN
CCCCOc1c(C)cccc1C	32147029	571967202	/nfs/dbraw/zinc/96/72/02/571967202.db2.gz	IWKOUBZMAKVMFW-UHFFFAOYSA-N	0	0	178.275	3.482	10	0		AGAERN
Cc1ccc(SC(C)(C)C)nc1	32152066	571967393	/nfs/dbraw/zinc/96/73/93/571967393.db2.gz	OUDGLQWZPAJMRA-UHFFFAOYSA-N	0	0	181.304	3.281	10	0		AGAERN
Cc1cc(N)c(-c2ccco2)cc1C	41048860	571967528	/nfs/dbraw/zinc/96/75/28/571967528.db2.gz	SLWDSDKZKUGGJZ-UHFFFAOYSA-N	0	0	187.242	3.146	10	0		AGAERN
Cc1ccncc1SC(C)(C)C	32151850	571967599	/nfs/dbraw/zinc/96/75/99/571967599.db2.gz	WPQGKFHEPSYERL-UHFFFAOYSA-N	0	0	181.304	3.281	10	0		AGAERN
CCCCc1cnc(CC)s1	32154560	571967605	/nfs/dbraw/zinc/96/76/05/571967605.db2.gz	ATVJLCAAVVLNRV-UHFFFAOYSA-N	0	0	169.293	3.048	10	0		AGAERN
CC(C)(C)SCc1ccccn1	32152489	571967564	/nfs/dbraw/zinc/96/75/64/571967564.db2.gz	MUYGHECDSGHWQJ-UHFFFAOYSA-N	0	0	181.304	3.113	10	0		AGAERN
Cc1ccc(C)c(C[C@@]2(C)CCO2)c1	219318413	571967995	/nfs/dbraw/zinc/96/79/95/571967995.db2.gz	SWVBKABURIFFMM-CYBMUJFWSA-N	0	0	190.286	3.025	10	0		AGAERN
CC(C)(C)CC[C@@H](O)Cc1ccco1	300827704	571968009	/nfs/dbraw/zinc/96/80/09/571968009.db2.gz	HVSKLSQDTNLAJB-SNVBAGLBSA-N	0	0	196.290	3.009	10	0		AGAERN
CC(C)(C)Sc1ccccc1O	32153622	571968013	/nfs/dbraw/zinc/96/80/13/571968013.db2.gz	JSCBTLZZTGFKJR-UHFFFAOYSA-N	0	0	182.288	3.283	10	0		AGAERN
Cc1ccnc(SC(C)(C)C)c1	32152089	571968111	/nfs/dbraw/zinc/96/81/11/571968111.db2.gz	UMFTWNMVMWXPBI-UHFFFAOYSA-N	0	0	181.304	3.281	10	0		AGAERN
Cc1ccc(-c2cccc(N)c2C)o1	41048887	571968249	/nfs/dbraw/zinc/96/82/49/571968249.db2.gz	GCOTZFLPKNCEMD-UHFFFAOYSA-N	0	0	187.242	3.146	10	0		AGAERN
CC1=CC=C2C(C)(C)CC[C@H](O)[C@]12C	32174268	571968392	/nfs/dbraw/zinc/96/83/92/571968392.db2.gz	ZQDTVBVAVWEDGP-WCQYABFASA-N	0	0	192.302	3.060	10	0		AGAERN
O[C@@H]1CCCC=C(c2ccccc2)C1	32157947	571968395	/nfs/dbraw/zinc/96/83/95/571968395.db2.gz	MSTJXCRCLFAVET-CYBMUJFWSA-N	0	0	188.270	3.005	10	0		AGAERN
CC1(C)CCC[C@@]2(C)C(=O)CC=C12	32172967	571969092	/nfs/dbraw/zinc/96/90/92/571969092.db2.gz	GXSVQZVTXJFCJO-GFCCVEGCSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1ccc(C)n1CC(C)(C)C	32165481	571968598	/nfs/dbraw/zinc/96/85/98/571968598.db2.gz	VUBLUIUTDPCCKH-UHFFFAOYSA-N	0	0	165.280	3.151	10	0		AGAERN
O[C@H]1CCCC=C(c2ccccc2)C1	32157950	571968625	/nfs/dbraw/zinc/96/86/25/571968625.db2.gz	MSTJXCRCLFAVET-ZDUSSCGKSA-N	0	0	188.270	3.005	10	0		AGAERN
CC1=CC=C2C(C)(C)CC[C@@H](O)[C@@]12C	32174263	571968657	/nfs/dbraw/zinc/96/86/57/571968657.db2.gz	ZQDTVBVAVWEDGP-YPMHNXCESA-N	0	0	192.302	3.060	10	0		AGAERN
CCSC(CC)SCC	32163228	571968695	/nfs/dbraw/zinc/96/86/95/571968695.db2.gz	JZLJYGACXAEBDF-UHFFFAOYSA-N	0	0	164.339	3.229	10	0		AGAERN
CC(C)(C)c1cccc(Cl)c1N	32155186	571968698	/nfs/dbraw/zinc/96/86/98/571968698.db2.gz	SSKOQDSCQVSEGT-UHFFFAOYSA-N	0	0	183.682	3.220	10	0		AGAERN
CC(C)(C)CNc1cccc(F)c1F	41051471	571968731	/nfs/dbraw/zinc/96/87/31/571968731.db2.gz	PDZWZCSOLREUNF-UHFFFAOYSA-N	0	0	199.244	3.423	10	0		AGAERN
CC1=CC=C2C(C)(C)CC[C@@H](O)[C@]12C	32174267	571968806	/nfs/dbraw/zinc/96/88/06/571968806.db2.gz	ZQDTVBVAVWEDGP-DGCLKSJQSA-N	0	0	192.302	3.060	10	0		AGAERN
CC1=CC=C2C(C)(C)CC[C@H](O)[C@@]12C	32174265	571969159	/nfs/dbraw/zinc/96/91/59/571969159.db2.gz	ZQDTVBVAVWEDGP-AAEUAGOBSA-N	0	0	192.302	3.060	10	0		AGAERN
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[C@H](O)CC(C)(C)C	713166548	571969271	/nfs/dbraw/zinc/96/92/71/571969271.db2.gz	BLMWVYGGHHVICO-YBXAARCKSA-N	0	0	196.334	3.076	10	0		AGAERN
Cc1ccc(-c2ccc(N)cc2C)o1	41048877	571969302	/nfs/dbraw/zinc/96/93/02/571969302.db2.gz	QUQPJNBBTTYDLA-UHFFFAOYSA-N	0	0	187.242	3.146	10	0		AGAERN
CC/C(C)=C/C[C@H](C)/C(C)=C/CO	59724840	571969340	/nfs/dbraw/zinc/96/93/40/571969340.db2.gz	MBJNLCTZRSETAT-KRBZDLOQSA-N	0	0	182.307	3.308	10	0		AGAERN
CC[C@@H](C)SC(C)(C)C	32163119	571969522	/nfs/dbraw/zinc/96/95/22/571969522.db2.gz	GARAYLGABNDHRH-SSDOTTSWSA-N	0	0	146.299	3.317	10	0		AGAERN
CCSCc1cccs1	32163100	571969584	/nfs/dbraw/zinc/96/95/84/571969584.db2.gz	AFCJCLDOMXGCMV-UHFFFAOYSA-N	0	0	158.291	3.001	10	0		AGAERN
Cc1cccc(CSC(C)(C)C)n1	32178691	571970018	/nfs/dbraw/zinc/97/00/18/571970018.db2.gz	OBBGLTSIKZVHGI-UHFFFAOYSA-N	0	0	195.331	3.422	10	0		AGAERN
CCC(=O)Cc1c(C)ccc(C)c1C	32169262	571970021	/nfs/dbraw/zinc/97/00/21/571970021.db2.gz	BWOLPMJHUMORCW-UHFFFAOYSA-N	0	0	190.286	3.133	10	0		AGAERN
CC1(C)CCC[C@]2(C)C(=O)CC=C12	32172968	571970059	/nfs/dbraw/zinc/97/00/59/571970059.db2.gz	GXSVQZVTXJFCJO-LBPRGKRZSA-N	0	0	178.275	3.102	10	0		AGAERN
CCc1cc(C)c2ccccc2n1	32209424	571970689	/nfs/dbraw/zinc/97/06/89/571970689.db2.gz	QBNLBNFHGKXQIA-UHFFFAOYSA-N	0	0	171.243	3.106	10	0		AGAERN
Cc1cc(C)c2cccc(O)c2c1	32211000	571971120	/nfs/dbraw/zinc/97/11/20/571971120.db2.gz	ZMYBSCDKKBZCTM-UHFFFAOYSA-N	0	0	172.227	3.162	10	0		AGAERN
CCCc1cccc2ccoc12	164942349	571971433	/nfs/dbraw/zinc/97/14/33/571971433.db2.gz	VOFCIPLPLRHICN-UHFFFAOYSA-N	0	0	160.216	3.385	10	0		AGAERN
Cc1cc(C)c(-c2ccccc2)[nH]1	32210285	571971493	/nfs/dbraw/zinc/97/14/93/571971493.db2.gz	TWPJGSLVOKTKDT-UHFFFAOYSA-N	0	0	171.243	3.299	10	0		AGAERN
COC(=O)[C@@H]1CCC[C@@H](C)[C@@H](C)CC1	32216967	571971701	/nfs/dbraw/zinc/97/17/01/571971701.db2.gz	CDNUCKKSTZFTEG-OUAUKWLOSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)=CC[C@H](O)c1ccccc1	32218378	571971788	/nfs/dbraw/zinc/97/17/88/571971788.db2.gz	NTBNCURUHABURS-LBPRGKRZSA-N	0	0	176.259	3.076	10	0		AGAERN
CC(C)(C)c1ccc(OCCF)cc1	80858797	571971824	/nfs/dbraw/zinc/97/18/24/571971824.db2.gz	YXWFGCSOKTUCIA-UHFFFAOYSA-N	0	0	196.265	3.332	10	0		AGAERN
CC(C)(C)CO[C@@H]1C=CCCC1	32225700	571973125	/nfs/dbraw/zinc/97/31/25/571973125.db2.gz	JNXNRLOWPYSNAY-SNVBAGLBSA-N	0	0	168.280	3.158	10	0		AGAERN
Cc1ccc(Cl)nc1C(C)C	219380325	571973198	/nfs/dbraw/zinc/97/31/98/571973198.db2.gz	UHKKVISXXXVWCO-UHFFFAOYSA-N	0	0	169.655	3.167	10	0		AGAERN
CC[C@]1(C)CC[C@@H](O)C[C@@H]1C(C)C	32225835	571973247	/nfs/dbraw/zinc/97/32/47/571973247.db2.gz	CTKVDOQLOAITKR-IJLUTSLNSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1ccc(C)c2c1C(=O)CC[C@H]2C	32223345	571973424	/nfs/dbraw/zinc/97/34/24/571973424.db2.gz	DMPOAOWJGROLNP-SECBINFHSA-N	0	0	188.270	3.383	10	0		AGAERN
C/C(=C/c1ccccc1)[C@H](C)[C@H](C)O	388663048	571973719	/nfs/dbraw/zinc/97/37/19/571973719.db2.gz	DEURSJDJCDHPES-XJNROGLQSA-N	0	0	190.286	3.107	10	0		AGAERN
CC[C@@]1(C)CC[C@H](O)C[C@@H]1C(C)C	32225836	571973734	/nfs/dbraw/zinc/97/37/34/571973734.db2.gz	CTKVDOQLOAITKR-TUAOUCFPSA-N	0	0	184.323	3.220	10	0		AGAERN
C/C=C\COc1ccc(C)c(C)c1	388663103	571973750	/nfs/dbraw/zinc/97/37/50/571973750.db2.gz	VZFISOYUTUVQHU-PLNGDYQASA-N	0	0	176.259	3.258	10	0		AGAERN
COc1ccc(O)c(C2CCCC2)c1	196423497	571973852	/nfs/dbraw/zinc/97/38/52/571973852.db2.gz	JLHGOPBDOFSAGS-UHFFFAOYSA-N	0	0	192.258	3.058	10	0		AGAERN
c1ccc2[nH]c([C@H]3CCCO3)cc2c1	32223038	571973867	/nfs/dbraw/zinc/97/38/67/571973867.db2.gz	NHXNUFZTWXFKMD-GFCCVEGCSA-N	0	0	187.242	3.019	10	0		AGAERN
Cc1cc(N=O)c(-c2ccccc2)[nH]1	32222836	571973954	/nfs/dbraw/zinc/97/39/54/571973954.db2.gz	NOMVJJIKEIAXSS-UHFFFAOYSA-N	0	0	186.214	3.388	10	0		AGAERN
Oc1ccc(C2C=CC=CC=C2)cc1	32222555	571974093	/nfs/dbraw/zinc/97/40/93/571974093.db2.gz	ADJMYENFFLWKGT-UHFFFAOYSA-N	0	0	184.238	3.158	10	0		AGAERN
CCCCC[C@@H](C)SC	32223623	571974537	/nfs/dbraw/zinc/97/45/37/571974537.db2.gz	PXVHLVQEVACWLZ-MRVPVSSYSA-N	0	0	146.299	3.318	10	0		AGAERN
C=C=C(C(C)C)[C@H](O)c1ccccc1	139730342	571974329	/nfs/dbraw/zinc/97/43/29/571974329.db2.gz	HZANUWKGQYSXLW-CYBMUJFWSA-N	0	0	188.270	3.087	10	0		AGAERN
CCC1=C(C)CC[C@@]1(C)C(C)=O	32226099	571974706	/nfs/dbraw/zinc/97/47/06/571974706.db2.gz	NVARHWHQJWQHDX-NSHDSACASA-N	0	0	166.264	3.102	10	0		AGAERN
c1ccc2nc3sccc3cc2c1	32222763	571974459	/nfs/dbraw/zinc/97/44/59/571974459.db2.gz	AIWIVJNRSOBFST-UHFFFAOYSA-N	0	0	185.251	3.450	10	0		AGAERN
Cc1ccc(C)c2c1C(=O)CC[C@@H]2C	32223348	571974452	/nfs/dbraw/zinc/97/44/52/571974452.db2.gz	DMPOAOWJGROLNP-VIFPVBQESA-N	0	0	188.270	3.383	10	0		AGAERN
CCCCC[C@H](C)SC	32223625	571974572	/nfs/dbraw/zinc/97/45/72/571974572.db2.gz	PXVHLVQEVACWLZ-QMMMGPOBSA-N	0	0	146.299	3.318	10	0		AGAERN
CC(C)(C)CO[C@H]1C=CCCC1	32225699	571974692	/nfs/dbraw/zinc/97/46/92/571974692.db2.gz	JNXNRLOWPYSNAY-JTQLQIEISA-N	0	0	168.280	3.158	10	0		AGAERN
C=C=C(C(C)C)[C@@H](O)c1ccccc1	139730480	571974779	/nfs/dbraw/zinc/97/47/79/571974779.db2.gz	HZANUWKGQYSXLW-ZDUSSCGKSA-N	0	0	188.270	3.087	10	0		AGAERN
CC1=CC[C@@H](/C=C/C[C@H](C)O)C1(C)C	139767774	571974942	/nfs/dbraw/zinc/97/49/42/571974942.db2.gz	CVCLDEPKPXKLLE-GAEWNOSXSA-N	0	0	194.318	3.306	10	0		AGAERN
CC1=CCC[C@@]2(C)C(=O)CCC[C@@H]12	196430234	571974977	/nfs/dbraw/zinc/97/49/77/571974977.db2.gz	YZACMEAWVUXCNY-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@]1([C@H](O)c2ccccc2)C=CCC1	139717972	571975808	/nfs/dbraw/zinc/97/58/08/571975808.db2.gz	GZJFLEKXATUYSK-OLZOCXBDSA-N	0	0	188.270	3.076	10	0		AGAERN
CC1=CCC[C@@]2(C)C(=O)CCC[C@H]12	196430216	571975223	/nfs/dbraw/zinc/97/52/23/571975223.db2.gz	YZACMEAWVUXCNY-ZYHUDNBSSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1ccc(Cl)o1	233988776	571975401	/nfs/dbraw/zinc/97/54/01/571975401.db2.gz	MLRATKGGWBSNLU-HZGVNTEJSA-N	0	0	188.654	3.013	10	0		AGAERN
C=COc1cccc2c(O)cccc12	139736423	571975403	/nfs/dbraw/zinc/97/54/03/571975403.db2.gz	VLSYAHXVDGGKSA-UHFFFAOYSA-N	0	0	186.210	3.068	10	0		AGAERN
Cc1ccnn1CCCC(C)(C)C	300830509	571975981	/nfs/dbraw/zinc/97/59/81/571975981.db2.gz	IERYPCOTRTWBBX-UHFFFAOYSA-N	0	0	180.295	3.018	10	0		AGAERN
CC1=CC[C@@H]2C(=O)CCCC[C@H]2C1	139796531	571975622	/nfs/dbraw/zinc/97/56/22/571975622.db2.gz	KKMUVUVPRCGZOP-QWRGUYRKSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)C[C@H](C)C[C@H](O)[C@@H]1CC1(C)C	300830707	571975902	/nfs/dbraw/zinc/97/59/02/571975902.db2.gz	BYWDZBNZNBWOMS-SRVKXCTJSA-N	0	0	198.350	3.466	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1ccoc1Cl	233989388	571976006	/nfs/dbraw/zinc/97/60/06/571976006.db2.gz	JMYOIQYVQNXOCJ-HTRCEHHLSA-N	0	0	188.654	3.013	10	0		AGAERN
CC1=CCC[C@]2(C)C(=O)CCC[C@H]12	196430224	571976069	/nfs/dbraw/zinc/97/60/69/571976069.db2.gz	YZACMEAWVUXCNY-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
Fc1cc(Cl)c2ccccc2n1	32298496	571976121	/nfs/dbraw/zinc/97/61/21/571976121.db2.gz	WGXXKIPCZQQLGO-UHFFFAOYSA-N	0	0	181.597	3.027	10	0		AGAERN
Cc1c(Cl)cccc1OC(C)C	139826190	571976404	/nfs/dbraw/zinc/97/64/04/571976404.db2.gz	KQIHJAOHNMZFRN-UHFFFAOYSA-N	0	0	184.666	3.436	10	0		AGAERN
C/C(=C\C[C@H]1CCCC1(C)C)CO	139805640	571976448	/nfs/dbraw/zinc/97/64/48/571976448.db2.gz	RYAHIOOYTSBIOI-CDCCAWJDSA-N	0	0	182.307	3.141	10	0		AGAERN
CC1=Cc2[nH]c3ccccc3c2C1	139748242	571976621	/nfs/dbraw/zinc/97/66/21/571976621.db2.gz	PVEXKFOEQQIALA-UHFFFAOYSA-N	0	0	169.227	3.127	10	0		AGAERN
CC(C)C[C@H](C)C[C@@H](O)[C@H]1CC1(C)C	300830704	571976668	/nfs/dbraw/zinc/97/66/68/571976668.db2.gz	BYWDZBNZNBWOMS-QJPTWQEYSA-N	0	0	198.350	3.466	10	0		AGAERN
Cc1ccc(CC(C)(C)C)c(O)c1	139889920	571977062	/nfs/dbraw/zinc/97/70/62/571977062.db2.gz	MIYKPNIGWRULFH-UHFFFAOYSA-N	0	0	178.275	3.289	10	0		AGAERN
Cc1c(Cl)ccc2occc12	139873178	571976986	/nfs/dbraw/zinc/97/69/86/571976986.db2.gz	RARARZUMNJVYAC-UHFFFAOYSA-N	0	0	166.607	3.395	10	0		AGAERN
Cc1cc2cccc(Cl)c2o1	196426125	571977161	/nfs/dbraw/zinc/97/71/61/571977161.db2.gz	WHFXGBXGLWFTGR-UHFFFAOYSA-N	0	0	166.607	3.395	10	0		AGAERN
CCn1cnc2cc3ccccc3cc21	39416031	571977254	/nfs/dbraw/zinc/97/72/54/571977254.db2.gz	WVBTWGYHYANUGF-UHFFFAOYSA-N	0	0	196.253	3.209	10	0		AGAERN
CCCC[C@H](CC)C(=O)CC	39398503	571977311	/nfs/dbraw/zinc/97/73/11/571977311.db2.gz	SDZRQBILIBWSQL-VIFPVBQESA-N	0	0	156.269	3.182	10	0		AGAERN
CCCC[C@@H](CC)C(=O)CC	39398502	571977482	/nfs/dbraw/zinc/97/74/82/571977482.db2.gz	SDZRQBILIBWSQL-SECBINFHSA-N	0	0	156.269	3.182	10	0		AGAERN
C=Cc1cscc1C=C	32302576	571977518	/nfs/dbraw/zinc/97/75/18/571977518.db2.gz	HBZZGDHDOZPHLJ-UHFFFAOYSA-N	0	0	136.219	3.034	10	0		AGAERN
CC[C@H](C)[C@@H](O)C1(C)CCCCC1	233987872	571977628	/nfs/dbraw/zinc/97/76/28/571977628.db2.gz	LENZBVOUXRNXPT-WDEREUQCSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1ccc(-c2ccc(C)[nH]2)cc1	41168422	571978235	/nfs/dbraw/zinc/97/82/35/571978235.db2.gz	ILPJRMBIJFINED-UHFFFAOYSA-N	0	0	171.243	3.299	10	0		AGAERN
CC(C)C[C@@H](C)C[C@H](O)C1(C)CC1	300838581	571978304	/nfs/dbraw/zinc/97/83/04/571978304.db2.gz	CWMMVBRVKMILFW-MNOVXSKESA-N	0	0	184.323	3.220	10	0		AGAERN
CCCC(=O)C[C@H](C)CC(C)C	300834871	571978396	/nfs/dbraw/zinc/97/83/96/571978396.db2.gz	CMUUWWUQIXRVAQ-SNVBAGLBSA-N	0	0	170.296	3.428	10	0		AGAERN
Cc1cccc(-c2ccc(C)[nH]2)c1	41168420	571978479	/nfs/dbraw/zinc/97/84/79/571978479.db2.gz	GDABKRWGZKDJOC-UHFFFAOYSA-N	0	0	171.243	3.299	10	0		AGAERN
CCCC(=O)C[C@@H](C)CC(C)C	300834869	571978532	/nfs/dbraw/zinc/97/85/32/571978532.db2.gz	CMUUWWUQIXRVAQ-JTQLQIEISA-N	0	0	170.296	3.428	10	0		AGAERN
CC(C)C[C@H](C)C[C@H](O)[C@H]1CC1(C)C	300830709	571978579	/nfs/dbraw/zinc/97/85/79/571978579.db2.gz	BYWDZBNZNBWOMS-TUAOUCFPSA-N	0	0	198.350	3.466	10	0		AGAERN
CC1=CC[C@H]2CCC(=O)[C@]2(C)CC1	209280022	571978613	/nfs/dbraw/zinc/97/86/13/571978613.db2.gz	FIRSRDZUVVQXSG-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)C[C@H](C)C[C@@H](O)C1(C)CC1	300838584	571979194	/nfs/dbraw/zinc/97/91/94/571979194.db2.gz	CWMMVBRVKMILFW-WDEREUQCSA-N	0	0	184.323	3.220	10	0		AGAERN
CC1=CC[C@H]2CCC(=O)[C@@]2(C)CC1	209280056	571979216	/nfs/dbraw/zinc/97/92/16/571979216.db2.gz	FIRSRDZUVVQXSG-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@H](C)[C@@H](O)[C@H](C)CC(C)C	300830786	571979240	/nfs/dbraw/zinc/97/92/40/571979240.db2.gz	BZKQZSOHGWBHLO-HBNTYKKESA-N	0	0	172.312	3.076	10	0		AGAERN
CC(C)C[C@H](C)C[C@H](O)C1(C)CC1	300838583	571979269	/nfs/dbraw/zinc/97/92/69/571979269.db2.gz	CWMMVBRVKMILFW-QWRGUYRKSA-N	0	0	184.323	3.220	10	0		AGAERN
CSC[C@@H](C)CNc1ccccc1	300838634	571979534	/nfs/dbraw/zinc/97/95/34/571979534.db2.gz	GHSKZSGITRBJNF-JTQLQIEISA-N	0	0	195.331	3.098	10	0		AGAERN
CC(C)c1ccc2c(c1)C(=O)[C@H](C)C2	41204218	571980034	/nfs/dbraw/zinc/98/00/34/571980034.db2.gz	WQMYPDSAFDCWDP-SECBINFHSA-N	0	0	188.270	3.185	10	0		AGAERN
Cc1ccc(C)c(OC(F)F)c1C	41203425	571980675	/nfs/dbraw/zinc/98/06/75/571980675.db2.gz	MUUVTDCNOIWQIU-UHFFFAOYSA-N	0	0	186.201	3.213	10	0		AGAERN
CC[C@H]1CC(=O)c2cc(C)cc(C)c21	41204232	571980187	/nfs/dbraw/zinc/98/01/87/571980187.db2.gz	LPPOSCKGPMRJDO-JTQLQIEISA-N	0	0	188.270	3.383	10	0		AGAERN
CC1=CC[C@@H]2CCC(=O)[C@]2(C)CC1	209279994	571980233	/nfs/dbraw/zinc/98/02/33/571980233.db2.gz	FIRSRDZUVVQXSG-ZYHUDNBSSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1cc(C)c(OC(F)F)cc1C	41203428	571980283	/nfs/dbraw/zinc/98/02/83/571980283.db2.gz	TVFUBSKJZMGXTQ-UHFFFAOYSA-N	0	0	186.201	3.213	10	0		AGAERN
CC(C)C[C@H](C)CC1=C[C@@H](O)CC1	300837892	571980482	/nfs/dbraw/zinc/98/04/82/571980482.db2.gz	CVFHCLUHFJLVRS-JQWIXIFHSA-N	0	0	182.307	3.140	10	0		AGAERN
CC(C)CC[C@@H](CO)c1ccccc1	81136540	571980685	/nfs/dbraw/zinc/98/06/85/571980685.db2.gz	YSXYVKSGEPXTOW-ZDUSSCGKSA-N	0	0	192.302	3.199	10	0		AGAERN
CC[C@@H]1CC(=O)c2c(C)ccc(C)c21	41204234	571980536	/nfs/dbraw/zinc/98/05/36/571980536.db2.gz	QLTLJXRPMNLGRQ-SNVBAGLBSA-N	0	0	188.270	3.383	10	0		AGAERN
CC[C@@]1(C)CNc2c(C)cc(C)cc21	233997947	571980648	/nfs/dbraw/zinc/98/06/48/571980648.db2.gz	ORDMNXBQYAIMHG-ZDUSSCGKSA-N	0	0	189.302	3.397	10	0		AGAERN
CC[C@H](C)[C@@H]1CNc2ccccc2C1	233994522	571981328	/nfs/dbraw/zinc/98/13/28/571981328.db2.gz	FIEVNDSNMPAODJ-JQWIXIFHSA-N	0	0	189.302	3.317	10	0		AGAERN
CC[C@H](C)Nc1cc(F)c(C)cc1F	233994351	571981293	/nfs/dbraw/zinc/98/12/93/571981293.db2.gz	LQLIWZOPJMAJCN-QMMMGPOBSA-N	0	0	199.244	3.484	10	0		AGAERN
CC[C@H](C)[C@H]1CNc2ccccc2C1	233994261	571981382	/nfs/dbraw/zinc/98/13/82/571981382.db2.gz	FIEVNDSNMPAODJ-CMPLNLGQSA-N	0	0	189.302	3.317	10	0		AGAERN
CC(C)C[C@H](C)CC1=C[C@H](O)CC1	300837891	571981579	/nfs/dbraw/zinc/98/15/79/571981579.db2.gz	CVFHCLUHFJLVRS-CMPLNLGQSA-N	0	0	182.307	3.140	10	0		AGAERN
CC(C)C[C@@H](C)CC1=C[C@@H](O)CC1	300837893	571981586	/nfs/dbraw/zinc/98/15/86/571981586.db2.gz	CVFHCLUHFJLVRS-PWSUYJOCSA-N	0	0	182.307	3.140	10	0		AGAERN
CC[C@H](C)[C@H](O)[C@@H]1CC(C)=C[C@@H](C)C1	233994335	571981616	/nfs/dbraw/zinc/98/16/16/571981616.db2.gz	UUFQCTRJJNKKRG-IXOXFDKPSA-N	0	0	196.334	3.386	10	0		AGAERN
CCCC[C@@H](C)C(=O)CC(C)C	300842082	571981724	/nfs/dbraw/zinc/98/17/24/571981724.db2.gz	AANAGKLAVAJKKH-SNVBAGLBSA-N	0	0	170.296	3.428	10	0		AGAERN
CC(C)C[C@H](C)CC(=O)C(F)(F)F	300840172	571982504	/nfs/dbraw/zinc/98/25/04/571982504.db2.gz	DCOWNXMUVMBGEM-ZETCQYMHSA-N	0	0	196.212	3.190	10	0		AGAERN
CCC[C@H]1C[C@]1(O)CCC(C)(C)C	300840909	571982017	/nfs/dbraw/zinc/98/20/17/571982017.db2.gz	JTOYLQRFDPHCQM-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@@H]1C[C@]1(O)CCC(C)(C)C	300840917	571982110	/nfs/dbraw/zinc/98/21/10/571982110.db2.gz	JTOYLQRFDPHCQM-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H](CO)c1ccc(C(C)(C)C)cc1	41206043	571982234	/nfs/dbraw/zinc/98/22/34/571982234.db2.gz	YLFCIWOYXJYESM-SNVBAGLBSA-N	0	0	192.302	3.080	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1ccoc1Cl	233995351	571982237	/nfs/dbraw/zinc/98/22/37/571982237.db2.gz	JMYOIQYVQNXOCJ-POYBYMJQSA-N	0	0	188.654	3.013	10	0		AGAERN
CC[C@H](CO)c1c(C)cc(C)cc1C	41206070	571982241	/nfs/dbraw/zinc/98/22/41/571982241.db2.gz	BHQHKXQUHHSANG-GFCCVEGCSA-N	0	0	192.302	3.098	10	0		AGAERN
CC(C)[C@@H]1CC(=O)c2cc(F)ccc21	41205850	571982266	/nfs/dbraw/zinc/98/22/66/571982266.db2.gz	WYYBFJAPTXOWKC-JTQLQIEISA-N	0	0	192.233	3.152	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1ccc(Cl)o1	233994733	571982477	/nfs/dbraw/zinc/98/24/77/571982477.db2.gz	MLRATKGGWBSNLU-IMTBSYHQSA-N	0	0	188.654	3.013	10	0		AGAERN
CC[C@@]1(C)CNc2c(C)cccc2N1	233997975	571982487	/nfs/dbraw/zinc/98/24/87/571982487.db2.gz	FNIYPLCRJQVJBU-LBPRGKRZSA-N	0	0	190.290	3.001	10	0		AGAERN
CCC[C@@H]1C[C@@]1(O)CCC(C)(C)C	300840915	571982637	/nfs/dbraw/zinc/98/26/37/571982637.db2.gz	JTOYLQRFDPHCQM-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H](CO)c1c(C)cc(C)cc1C	41206069	571982778	/nfs/dbraw/zinc/98/27/78/571982778.db2.gz	BHQHKXQUHHSANG-LBPRGKRZSA-N	0	0	192.302	3.098	10	0		AGAERN
Cc1ccc([C@@H](CO)C(C)C)cc1C	41206044	571982844	/nfs/dbraw/zinc/98/28/44/571982844.db2.gz	QPHCGVBSDFSMCT-ZDUSSCGKSA-N	0	0	192.302	3.035	10	0		AGAERN
Cc1cc(C)c2c(c1)OC(C)(C)C=C2	34549584	571982848	/nfs/dbraw/zinc/98/28/48/571982848.db2.gz	XZTNHYHSTPXJMV-UHFFFAOYSA-N	0	0	188.270	3.488	10	0		AGAERN
Cc1cc(SC(F)F)ccc1F	41205826	571982945	/nfs/dbraw/zinc/98/29/45/571982945.db2.gz	OVBMZNUCYKDEER-UHFFFAOYSA-N	0	0	192.205	3.449	10	0		AGAERN
CCC(CC)COc1cccc(F)n1	300844129	571982969	/nfs/dbraw/zinc/98/29/69/571982969.db2.gz	KIRSTQKVLYTDFM-UHFFFAOYSA-N	0	0	197.253	3.036	10	0		AGAERN
CC(C)C[C@@H](C)CCC(=O)C1CC1	300843342	571982998	/nfs/dbraw/zinc/98/29/98/571982998.db2.gz	DLLPTZGXKGOMGL-JTQLQIEISA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)C[C@H](C)CC(=O)C1CC1	300843458	571983030	/nfs/dbraw/zinc/98/30/30/571983030.db2.gz	DMQDLSFIMSGYIU-VIFPVBQESA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@@H]1CC(=O)c2cc(Cl)ccc21	41206910	571983072	/nfs/dbraw/zinc/98/30/72/571983072.db2.gz	PUPSOUXRYJYSNI-SSDOTTSWSA-N	0	0	194.661	3.420	10	0		AGAERN
Cc1ccc(OCC(C)(C)C)c(N)c1	41206514	571983081	/nfs/dbraw/zinc/98/30/81/571983081.db2.gz	HMSSKDGRBVOXTN-UHFFFAOYSA-N	0	0	193.290	3.002	10	0		AGAERN
Cc1cc(C)c([C@H](C)CCO)c(C)c1	41206072	571983185	/nfs/dbraw/zinc/98/31/85/571983185.db2.gz	QKLLFXBLDOZXSK-SNVBAGLBSA-N	0	0	192.302	3.098	10	0		AGAERN
Cc1ccc([C@H](CO)C(C)C)cc1C	41206045	571983549	/nfs/dbraw/zinc/98/35/49/571983549.db2.gz	QPHCGVBSDFSMCT-CYBMUJFWSA-N	0	0	192.302	3.035	10	0		AGAERN
CCC(=O)c1cccc(C(C)C)c1O	41205941	571983450	/nfs/dbraw/zinc/98/34/50/571983450.db2.gz	WHZSAYJIRWWBOZ-UHFFFAOYSA-N	0	0	192.258	3.108	10	0		AGAERN
Cc1cc(C)c(C)c([C@H](C)CO)c1C	41206074	571983500	/nfs/dbraw/zinc/98/35/00/571983500.db2.gz	LQDFVEORIXSABS-SNVBAGLBSA-N	0	0	192.302	3.016	10	0		AGAERN
Cc1ccc(C)c([C@@H](CO)C(C)C)c1	41206016	571983592	/nfs/dbraw/zinc/98/35/92/571983592.db2.gz	BINARTUYPVCDNN-ZDUSSCGKSA-N	0	0	192.302	3.035	10	0		AGAERN
CCCCOc1c(C)cc(C)cc1N	41206516	571983578	/nfs/dbraw/zinc/98/35/78/571983578.db2.gz	ZNLVWZLHVUANOZ-UHFFFAOYSA-N	0	0	193.290	3.065	10	0		AGAERN
CC(C)C[C@@H]1C[C@H]1[C@H](O)CC(C)(C)C	713169709	571983683	/nfs/dbraw/zinc/98/36/83/571983683.db2.gz	PGRWXNXBPMMYPH-IJLUTSLNSA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)C[C@@H]1C[C@H]1[C@@H](O)CC(C)(C)C	713169715	571983816	/nfs/dbraw/zinc/98/38/16/571983816.db2.gz	PGRWXNXBPMMYPH-UTUOFQBUSA-N	0	0	198.350	3.466	10	0		AGAERN
Cc1ccc([C@H](CO)C(C)C)c(C)c1	41206025	571983848	/nfs/dbraw/zinc/98/38/48/571983848.db2.gz	VMXBAMSNVSWWBD-CYBMUJFWSA-N	0	0	192.302	3.035	10	0		AGAERN
CCCC(=O)c1cccc(Cl)c1O	41209585	571983850	/nfs/dbraw/zinc/98/38/50/571983850.db2.gz	RENBIONVADIWOL-UHFFFAOYSA-N	0	0	198.649	3.028	10	0		AGAERN
CC(C)C[C@@H]1C[C@@H]1[C@@H](O)CC(C)(C)C	713169724	571984077	/nfs/dbraw/zinc/98/40/77/571984077.db2.gz	PGRWXNXBPMMYPH-WOPDTQHZSA-N	0	0	198.350	3.466	10	0		AGAERN
CCC(CC)Oc1ccc(C)c(N)c1	300848513	571984309	/nfs/dbraw/zinc/98/43/09/571984309.db2.gz	GQXOWIBVDZMFHA-UHFFFAOYSA-N	0	0	193.290	3.145	10	0		AGAERN
CCCC[C@@H](C)c1nc(Cl)no1	300844710	571984484	/nfs/dbraw/zinc/98/44/84/571984484.db2.gz	AHXCLOIASNBEAI-ZCFIWIBFSA-N	0	0	188.658	3.017	10	0		AGAERN
CC(C)C[C@@H](C)CC(=O)C1CC1	300843457	571984765	/nfs/dbraw/zinc/98/47/65/571984765.db2.gz	DMQDLSFIMSGYIU-SECBINFHSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCCSC/C=C/Cl	41392990	571985218	/nfs/dbraw/zinc/98/52/18/571985218.db2.gz	SUQKIUYXSYXODK-SNAWJCMRSA-N	0	0	164.701	3.272	10	0		AGAERN
CC(C)[C@@]1(C)CC(C)(C)N=N1	39103274	571985406	/nfs/dbraw/zinc/98/54/06/571985406.db2.gz	LVJWCVXSEHLZMW-SECBINFHSA-N	0	0	154.257	3.036	10	0		AGAERN
C/C=C\c1ccc(CC)cc1	149028480	571986075	/nfs/dbraw/zinc/98/60/75/571986075.db2.gz	MKJOTWMWLNTTJM-HYXAFXHYSA-N	0	0	146.233	3.282	10	0		AGAERN
CC(C)=CCc1ccc(N)c(Cl)c1	196169122	571986085	/nfs/dbraw/zinc/98/60/85/571986085.db2.gz	HFCPHABNVMLETQ-UHFFFAOYSA-N	0	0	195.693	3.431	10	0		AGAERN
CC[C@@H]1CC(=O)c2cccc(C)c21	196163347	571986201	/nfs/dbraw/zinc/98/62/01/571986201.db2.gz	LXSSIQSPDYWNJA-SECBINFHSA-N	0	0	174.243	3.075	10	0		AGAERN
CC[C@@H](C)N(CC(F)(F)F)C(C)C	114038239	571986209	/nfs/dbraw/zinc/98/62/09/571986209.db2.gz	BBPKSHICVYBPRR-MRVPVSSYSA-N	0	0	197.244	3.058	10	0		AGAERN
CCCC[C@@H](C)c1nnc(Cl)o1	300856071	571986774	/nfs/dbraw/zinc/98/67/74/571986774.db2.gz	BUMQJNLARXTWQM-ZCFIWIBFSA-N	0	0	188.658	3.017	10	0		AGAERN
CC(C)C[C@H](C)[C@H](O)c1ccsc1	300853733	571986832	/nfs/dbraw/zinc/98/68/32/571986832.db2.gz	FQFXLFLQVMSBPJ-ONGXEEELSA-N	0	0	198.331	3.464	10	0		AGAERN
CC[C@H](C)N(CC(F)(F)F)C(C)C	114038240	571986861	/nfs/dbraw/zinc/98/68/61/571986861.db2.gz	BBPKSHICVYBPRR-QMMMGPOBSA-N	0	0	197.244	3.058	10	0		AGAERN
Cc1cncc(-c2sccc2C)c1	13607163	571986876	/nfs/dbraw/zinc/98/68/76/571986876.db2.gz	FQIYCUHXINPNFT-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
CC(C)C[C@@H](C)C[C@H](O)CC1CC1	300853746	571986919	/nfs/dbraw/zinc/98/69/19/571986919.db2.gz	FQHKHEOPEFSTMI-PWSUYJOCSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC(CC)[C@H](O)[C@H](C)CC(C)C	300851243	571987493	/nfs/dbraw/zinc/98/74/93/571987493.db2.gz	FIIKKNRRDIRJMV-ZYHUDNBSSA-N	0	0	186.339	3.466	10	0		AGAERN
CCC(CC)[C@H](O)[C@@H](C)CC(C)C	300851235	571987047	/nfs/dbraw/zinc/98/70/47/571987047.db2.gz	FIIKKNRRDIRJMV-CMPLNLGQSA-N	0	0	186.339	3.466	10	0		AGAERN
CCC(CC)[C@@H](O)[C@H](C)CC(C)C	300851240	571988152	/nfs/dbraw/zinc/98/81/52/571988152.db2.gz	FIIKKNRRDIRJMV-PWSUYJOCSA-N	0	0	186.339	3.466	10	0		AGAERN
CCCC(C)(C)c1ccc(O)cc1O	196161171	571987393	/nfs/dbraw/zinc/98/73/93/571987393.db2.gz	XHSKYVQMQWNCAT-UHFFFAOYSA-N	0	0	194.274	3.176	10	0		AGAERN
CC(C)=CCc1ccccc1C=O	196161127	571987489	/nfs/dbraw/zinc/98/74/89/571987489.db2.gz	OCSYHXIXRDIURJ-UHFFFAOYSA-N	0	0	174.243	3.008	10	0		AGAERN
Cc1cncc(-c2ccsc2)c1	13607165	571987666	/nfs/dbraw/zinc/98/76/66/571987666.db2.gz	RLRUVKPUJIHPCF-UHFFFAOYSA-N	0	0	175.256	3.119	10	0		AGAERN
CC(C)C[C@@H](C)C[C@@H](O)CC1CC1	300853750	571987836	/nfs/dbraw/zinc/98/78/36/571987836.db2.gz	FQHKHEOPEFSTMI-ZYHUDNBSSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@H](C)C[C@@H](O)CC1CC1	300853738	571987886	/nfs/dbraw/zinc/98/78/86/571987886.db2.gz	FQHKHEOPEFSTMI-CMPLNLGQSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC(CC)Nc1ccn(C(C)C)n1	300852059	571988259	/nfs/dbraw/zinc/98/82/59/571988259.db2.gz	HLEDBORLXBAEBL-UHFFFAOYSA-N	0	0	195.310	3.065	10	0		AGAERN
CC(C)C[C@@H](C)CC(C)(C)CO	300856271	571987897	/nfs/dbraw/zinc/98/78/97/571987897.db2.gz	FXKGVQGNTOGJCB-SNVBAGLBSA-N	0	0	172.312	3.077	10	0		AGAERN
CC(C)=CCc1cccc(Cl)c1N	196169173	571987905	/nfs/dbraw/zinc/98/79/05/571987905.db2.gz	UTWRBINSUMAWCE-UHFFFAOYSA-N	0	0	195.693	3.431	10	0		AGAERN
CCCC[C@H](C)c1nnc(Cl)o1	300856069	571987918	/nfs/dbraw/zinc/98/79/18/571987918.db2.gz	BUMQJNLARXTWQM-LURJTMIESA-N	0	0	188.658	3.017	10	0		AGAERN
CC(C)(C)C[C@H]1CCCC(=O)C1	196163046	571987981	/nfs/dbraw/zinc/98/79/81/571987981.db2.gz	RIGPPIKVTLHNSJ-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)C[C@H](C)CC(C)(C)CO	300856270	571987984	/nfs/dbraw/zinc/98/79/84/571987984.db2.gz	FXKGVQGNTOGJCB-JTQLQIEISA-N	0	0	172.312	3.077	10	0		AGAERN
CC(C)(C)C[C@@H]1CCCC(=O)C1	196163039	571988012	/nfs/dbraw/zinc/98/80/12/571988012.db2.gz	RIGPPIKVTLHNSJ-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)C[C@@H](C)[C@H](O)c1ccsc1	300853724	571988144	/nfs/dbraw/zinc/98/81/44/571988144.db2.gz	FQFXLFLQVMSBPJ-KOLCDFICSA-N	0	0	198.331	3.464	10	0		AGAERN
CC(C)C[C@H](C)C[C@H](O)CC1CC1	300853742	571988157	/nfs/dbraw/zinc/98/81/57/571988157.db2.gz	FQHKHEOPEFSTMI-JQWIXIFHSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@H](C)[C@@H](O)c1ccsc1	300853720	571988279	/nfs/dbraw/zinc/98/82/79/571988279.db2.gz	FQFXLFLQVMSBPJ-GXSJLCMTSA-N	0	0	198.331	3.464	10	0		AGAERN
CC[C@H]1CC(=O)c2cccc(C)c21	196163352	571988246	/nfs/dbraw/zinc/98/82/46/571988246.db2.gz	LXSSIQSPDYWNJA-VIFPVBQESA-N	0	0	174.243	3.075	10	0		AGAERN
CC(=O)C1(C[C@@H](C)CC(C)C)CC1	300851947	571988254	/nfs/dbraw/zinc/98/82/54/571988254.db2.gz	FJMCCNKZCXMCTJ-JTQLQIEISA-N	0	0	182.307	3.428	10	0		AGAERN
C/C(=C/Cl)c1ccc(F)cc1	206884904	571989731	/nfs/dbraw/zinc/98/97/31/571989731.db2.gz	BCNZFNOVQKKTDG-SREVYHEPSA-N	0	0	170.614	3.425	10	0		AGAERN
CCc1ccc([C@H](O)[C@H](C)CC)cc1	40254778	571989753	/nfs/dbraw/zinc/98/97/53/571989753.db2.gz	KSUTVOJMGBIDPM-ZWNOBZJWSA-N	0	0	192.302	3.329	10	0		AGAERN
Cc1cc2ocnc2c(C)c1Cl	41568791	571989924	/nfs/dbraw/zinc/98/99/24/571989924.db2.gz	ZHGUFZVKFYXKMG-UHFFFAOYSA-N	0	0	181.622	3.098	10	0		AGAERN
Cc1c(O)cc2c(c1C)CCC[C@H]2C	196171825	571989942	/nfs/dbraw/zinc/98/99/42/571989942.db2.gz	BBMGLBJANDXFNI-MRVPVSSYSA-N	0	0	190.286	3.449	10	0		AGAERN
CCc1ccc([C@@H](O)[C@H](C)CC)cc1	40254780	571990136	/nfs/dbraw/zinc/99/01/36/571990136.db2.gz	KSUTVOJMGBIDPM-MFKMUULPSA-N	0	0	192.302	3.329	10	0		AGAERN
COc1cccc([C@@]2(C)CCS2)c1	219462057	571990397	/nfs/dbraw/zinc/99/03/97/571990397.db2.gz	ZBZVCQPOEAQZSQ-LLVKDONJSA-N	0	0	194.299	3.047	10	0		AGAERN
CC1=C[C@H](C)N=NC(C(C)C)=C1	39103963	571990436	/nfs/dbraw/zinc/99/04/36/571990436.db2.gz	NGMJVYAIVJPEJV-VIFPVBQESA-N	0	0	164.252	3.327	10	0		AGAERN
CN(C)c1cc(Cl)ccc1Cl	77922681	571990586	/nfs/dbraw/zinc/99/05/86/571990586.db2.gz	GLLYZBOQHMCQBZ-UHFFFAOYSA-N	0	0	190.073	3.059	10	0		AGAERN
CC(C)(C)CCC[C@H](N)C(F)(F)F	74239856	571990634	/nfs/dbraw/zinc/99/06/34/571990634.db2.gz	KIALKRKBVORCOX-ZETCQYMHSA-N	0	0	197.244	3.092	10	0		AGAERN
CC(C)[C@@H]1OC=Cc2ccccc21	39104767	571990734	/nfs/dbraw/zinc/99/07/34/571990734.db2.gz	SZIJFHJNEUTHHB-LBPRGKRZSA-N	0	0	174.243	3.385	10	0		AGAERN
Cc1cccc2c1CCC[C@H](C)N2	219472160	571990766	/nfs/dbraw/zinc/99/07/66/571990766.db2.gz	GHDLHFXTGRWKPM-JTQLQIEISA-N	0	0	175.275	3.132	10	0		AGAERN
CC(C)c1ccc2c(c1)C=CCO2	39104752	571990782	/nfs/dbraw/zinc/99/07/82/571990782.db2.gz	WSECVKGDUKFWDZ-UHFFFAOYSA-N	0	0	174.243	3.216	10	0		AGAERN
Cc1cc(/C=C/c2ccccc2)on1	13819987	571990894	/nfs/dbraw/zinc/99/08/94/571990894.db2.gz	HPEIOZLJNFUVJJ-BQYQJAHWSA-N	0	0	185.226	3.153	10	0		AGAERN
CCCC(C)(C)c1cccc(O)c1	139937101	571991000	/nfs/dbraw/zinc/99/10/00/571991000.db2.gz	LALHMXSAVPCEPG-UHFFFAOYSA-N	0	0	178.275	3.470	10	0		AGAERN
Cc1c(C)c(C)n(C(C)C)c1C	39104012	571991157	/nfs/dbraw/zinc/99/11/57/571991157.db2.gz	VPIRGKXUPXGFDG-UHFFFAOYSA-N	0	0	165.280	3.303	10	0		AGAERN
Clc1cc2c3c(ccn3CCC2)c1	139944467	571991342	/nfs/dbraw/zinc/99/13/42/571991342.db2.gz	QKMPTDKDPCHNQY-UHFFFAOYSA-N	0	0	191.661	3.241	10	0		AGAERN
CC1=C[C@H](C(C)C)N=NC(C)=C1	39103979	571991660	/nfs/dbraw/zinc/99/16/60/571991660.db2.gz	KZPFZEVEKATFEC-SNVBAGLBSA-N	0	0	164.252	3.327	10	0		AGAERN
CC(C)(C)c1ccc2c[nH]cc2c1	196178566	571991728	/nfs/dbraw/zinc/99/17/28/571991728.db2.gz	KHLSFQTXTVLPRG-UHFFFAOYSA-N	0	0	173.259	3.465	10	0		AGAERN
Cc1nc(C(C)C)c(C(C)C)o1	39104162	571991940	/nfs/dbraw/zinc/99/19/40/571991940.db2.gz	OANLHFKQMMCZRC-UHFFFAOYSA-N	0	0	167.252	3.230	10	0		AGAERN
CCCc1c(CC)[nH]c(C)c1C	77951006	571992054	/nfs/dbraw/zinc/99/20/54/571992054.db2.gz	QXTAGMNIDJVYEC-UHFFFAOYSA-N	0	0	165.280	3.146	10	0		AGAERN
CC(C)[C@H]1OC=Cc2ccccc21	39104766	571992070	/nfs/dbraw/zinc/99/20/70/571992070.db2.gz	SZIJFHJNEUTHHB-GFCCVEGCSA-N	0	0	174.243	3.385	10	0		AGAERN
CC1=C[C@@H](C)N=NC(C(C)C)=C1	39103962	571992152	/nfs/dbraw/zinc/99/21/52/571992152.db2.gz	NGMJVYAIVJPEJV-SECBINFHSA-N	0	0	164.252	3.327	10	0		AGAERN
CC(C)C12CCC(C)(CC1)N=N2	39104085	571992426	/nfs/dbraw/zinc/99/24/26/571992426.db2.gz	GAWVEZJEYQKBTK-UHFFFAOYSA-N	0	0	166.268	3.180	10	0		AGAERN
CCCC[C@H](C)[C@@H](O)C1=CCCC1	300864907	571992733	/nfs/dbraw/zinc/99/27/33/571992733.db2.gz	CYIZCULZHRKXMP-CMPLNLGQSA-N	0	0	182.307	3.284	10	0		AGAERN
CCCC[C@@H](C)[C@H](O)C1=CCCC1	300864912	571993215	/nfs/dbraw/zinc/99/32/15/571993215.db2.gz	CYIZCULZHRKXMP-PWSUYJOCSA-N	0	0	182.307	3.284	10	0		AGAERN
CCC(C)(C)C[C@H]1CCCC[C@H]1O	713180951	571994180	/nfs/dbraw/zinc/99/41/80/571994180.db2.gz	CQOYLMXLJFPKGL-GHMZBOCLSA-N	0	0	184.323	3.364	10	0		AGAERN
CCSc1cc2[nH]ccc2cc1F	140068934	571993414	/nfs/dbraw/zinc/99/34/14/571993414.db2.gz	DZLKPMNFFZIHBZ-UHFFFAOYSA-N	0	0	195.262	3.419	10	0		AGAERN
CCCC[C@H](C)[C@H](O)C1=CCCC1	300864910	571993683	/nfs/dbraw/zinc/99/36/83/571993683.db2.gz	CYIZCULZHRKXMP-JQWIXIFHSA-N	0	0	182.307	3.284	10	0		AGAERN
CCc1cccc(C(F)(F)F)c1F	140093580	571993798	/nfs/dbraw/zinc/99/37/98/571993798.db2.gz	AMRNZDSYTCXUAY-UHFFFAOYSA-N	0	0	192.155	3.407	10	0		AGAERN
CCC(C)(C)C[C@@H]1CCCC[C@@H]1O	713180957	571993868	/nfs/dbraw/zinc/99/38/68/571993868.db2.gz	CQOYLMXLJFPKGL-QWRGUYRKSA-N	0	0	184.323	3.364	10	0		AGAERN
CSc1cc2[nH]ccc2cc1F	140066955	571993873	/nfs/dbraw/zinc/99/38/73/571993873.db2.gz	MUWCXEJAJLVMPV-UHFFFAOYSA-N	0	0	181.235	3.029	10	0		AGAERN
CC(C)[C@@]1(C)CC[C@@H](C)CC1=O	139964658	571994116	/nfs/dbraw/zinc/99/41/16/571994116.db2.gz	PFXHRFGMSHIJQV-MWLCHTKSSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@](C)(O)C[C@@H](C)CC(C)C	300872348	571995286	/nfs/dbraw/zinc/99/52/86/571995286.db2.gz	HTBVGLYCWCVLKJ-QWRGUYRKSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@@H](C)[C@@H]1CNc2c(F)cccc21	234008374	571994367	/nfs/dbraw/zinc/99/43/67/571994367.db2.gz	FTJRJYFMXCBFIB-SCZZXKLOSA-N	0	0	193.265	3.381	10	0		AGAERN
CCCC[C@H](C)[C@@H](O)C1CCCC1	300869629	571994969	/nfs/dbraw/zinc/99/49/69/571994969.db2.gz	DNDCQUSYIGOGSS-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@@H](C)CNc1cncc(F)c1	300865376	571995077	/nfs/dbraw/zinc/99/50/77/571995077.db2.gz	JHBICVVBSQFHAU-SECBINFHSA-N	0	0	196.269	3.069	10	0		AGAERN
CC(C)C(C)(C)C[C@H]1CCC[C@@H]1O	713180972	571995330	/nfs/dbraw/zinc/99/53/30/571995330.db2.gz	CTJFLOBUKLEICO-MNOVXSKESA-N	0	0	184.323	3.220	10	0		AGAERN
CCC(C)(C)C[C@@H]1CCCC[C@H]1O	713180963	571995275	/nfs/dbraw/zinc/99/52/75/571995275.db2.gz	CQOYLMXLJFPKGL-WDEREUQCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@H](C)CNc1cncc(F)c1	300865379	571995201	/nfs/dbraw/zinc/99/52/01/571995201.db2.gz	JHBICVVBSQFHAU-VIFPVBQESA-N	0	0	196.269	3.069	10	0		AGAERN
CC[C@H]1CC[C@@H](O)c2ccccc21	207029428	571995339	/nfs/dbraw/zinc/99/53/39/571995339.db2.gz	UVWLLTGLHABUGJ-JOYOIKCWSA-N	0	0	176.259	3.007	10	0		AGAERN
CC[C@](C)(O)C[C@H](C)CC(C)C	300872346	571995729	/nfs/dbraw/zinc/99/57/29/571995729.db2.gz	HTBVGLYCWCVLKJ-MNOVXSKESA-N	0	0	172.312	3.220	10	0		AGAERN
CCCC[C@@H](C)[C@@H](O)C1CCCC1	300869632	571996119	/nfs/dbraw/zinc/99/61/19/571996119.db2.gz	DNDCQUSYIGOGSS-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@@H](O)[C@@H](C)CC(C)C	300873177	571995946	/nfs/dbraw/zinc/99/59/46/571995946.db2.gz	HVFVMTJOSQKZFS-WDEREUQCSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@@H]1CC[C@@H](O)c2ccccc21	207029386	571996309	/nfs/dbraw/zinc/99/63/09/571996309.db2.gz	UVWLLTGLHABUGJ-BXKDBHETSA-N	0	0	176.259	3.007	10	0		AGAERN
CC[C@@H]1CC[C@H](O)c2ccccc21	207029336	571996312	/nfs/dbraw/zinc/99/63/12/571996312.db2.gz	UVWLLTGLHABUGJ-SKDRFNHKSA-N	0	0	176.259	3.007	10	0		AGAERN
CCCC[C@H](O)[C@@H](C)CC(C)C	300873176	571996144	/nfs/dbraw/zinc/99/61/44/571996144.db2.gz	HVFVMTJOSQKZFS-QWRGUYRKSA-N	0	0	172.312	3.220	10	0		AGAERN
CC(C)C(C)(C)CC[C@@H](O)C1CC1	713182500	571996313	/nfs/dbraw/zinc/99/63/13/571996313.db2.gz	KFKSLQMWYJKVSS-LLVKDONJSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)(C)CCCC1=C[C@@H](O)CC1	300866417	571996267	/nfs/dbraw/zinc/99/62/67/571996267.db2.gz	MQCWYULXSSWJMN-NSHDSACASA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)(C)C[C@H](O)C(C)(C)C(F)F	713181920	571996277	/nfs/dbraw/zinc/99/62/77/571996277.db2.gz	HCQKUICPDXAJAO-ZETCQYMHSA-N	0	0	194.265	3.075	10	0		AGAERN
c1ccc(Nc2ccco2)cc1	39126816	571996489	/nfs/dbraw/zinc/99/64/89/571996489.db2.gz	QVQAOUQVDLVHEA-UHFFFAOYSA-N	0	0	159.188	3.023	10	0		AGAERN
CC[C@@H](O)[C@@H](C)CC(C)(C)CC	713182039	571996548	/nfs/dbraw/zinc/99/65/48/571996548.db2.gz	INURGWJGCSTXDG-VHSXEESVSA-N	0	0	172.312	3.220	10	0		AGAERN
Cc1cc(C)c2c(C)coc2c1	39136327	571997010	/nfs/dbraw/zinc/99/70/10/571997010.db2.gz	PWTRQDXISHYXEP-UHFFFAOYSA-N	0	0	160.216	3.358	10	0		AGAERN
Cc1ccc(N(C)c2ccccc2)o1	39127131	571997172	/nfs/dbraw/zinc/99/71/72/571997172.db2.gz	IKUHZNQMRXCCDO-UHFFFAOYSA-N	0	0	187.242	3.356	10	0		AGAERN
CC[C@@](C)(O)C[C@H](C)CC(C)C	300872344	571997203	/nfs/dbraw/zinc/99/72/03/571997203.db2.gz	HTBVGLYCWCVLKJ-GHMZBOCLSA-N	0	0	172.312	3.220	10	0		AGAERN
CC(C)(C)C[C@@H](O)C(C)(C)C(F)F	713181919	571997617	/nfs/dbraw/zinc/99/76/17/571997617.db2.gz	HCQKUICPDXAJAO-SSDOTTSWSA-N	0	0	194.265	3.075	10	0		AGAERN
CC[C@H](C)[C@@](C)(O)C1=CCCCC1	234015602	571997685	/nfs/dbraw/zinc/99/76/85/571997685.db2.gz	NXLNPCNSQTUNIA-CMPLNLGQSA-N	0	0	182.307	3.284	10	0		AGAERN
CC[C@H](C)[C@@H]1CNc2c(F)cccc21	234015922	571997890	/nfs/dbraw/zinc/99/78/90/571997890.db2.gz	FTJRJYFMXCBFIB-WPRPVWTQSA-N	0	0	193.265	3.381	10	0		AGAERN
CC[C@H](O)[C@H](C)CC(C)(C)CC	713182044	571998126	/nfs/dbraw/zinc/99/81/26/571998126.db2.gz	INURGWJGCSTXDG-ZJUUUORDSA-N	0	0	172.312	3.220	10	0		AGAERN
CCc1ccc(NCCCF)cc1C	300871205	571998739	/nfs/dbraw/zinc/99/87/39/571998739.db2.gz	KTYDDEPXOTYDGI-UHFFFAOYSA-N	0	0	195.281	3.329	10	0		AGAERN
CCCC[C@H](C)[C@H](O)C=C(C)C	300876860	571998721	/nfs/dbraw/zinc/99/87/21/571998721.db2.gz	FNWPBWZMJUEBCB-WDEREUQCSA-N	0	0	170.296	3.140	10	0		AGAERN
CCC(C)(C)C[C@H](C(C)C)[C@@H](C)O	713184614	571998861	/nfs/dbraw/zinc/99/88/61/571998861.db2.gz	URUOSGVRNPAMJR-GHMZBOCLSA-N	0	0	186.339	3.466	10	0		AGAERN
CC[C@H](C)[C@H](O)C[C@H](C)CC(C)C	300874802	571999146	/nfs/dbraw/zinc/99/91/46/571999146.db2.gz	IBRQLNMPKUKYOY-GRYCIOLGSA-N	0	0	186.339	3.466	10	0		AGAERN
CC[C@H](C)[C@@]1(O)CC(C)(C)C[C@@H]1C	234018018	571999174	/nfs/dbraw/zinc/99/91/74/571999174.db2.gz	LTUQFTVBINAGAM-NHCYSSNCSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)(C)C[C@H](O)[C@H]1CCCC12CC2	713183527	571999182	/nfs/dbraw/zinc/99/91/82/571999182.db2.gz	PZOMRLNBLRYPKV-MNOVXSKESA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)(C)C[C@@H](O)[C@H]1CCCC12CC2	713183526	571999422	/nfs/dbraw/zinc/99/94/22/571999422.db2.gz	PZOMRLNBLRYPKV-GHMZBOCLSA-N	0	0	196.334	3.364	10	0		AGAERN
CCCCC[C@H](O)CC(C)(C)C	68847938	571999446	/nfs/dbraw/zinc/99/94/46/571999446.db2.gz	AOAYKSHOGUMPOB-JTQLQIEISA-N	0	0	172.312	3.364	10	0		AGAERN
CC[C@H](C)[C@@H](O)C[C@H](C)CC(C)C	300874808	571999485	/nfs/dbraw/zinc/99/94/85/571999485.db2.gz	IBRQLNMPKUKYOY-WOPDTQHZSA-N	0	0	186.339	3.466	10	0		AGAERN
CCCCC(=O)c1cc(C)c(C)o1	300874556	571999558	/nfs/dbraw/zinc/99/95/58/571999558.db2.gz	LMXIGWLISVPLBD-UHFFFAOYSA-N	0	0	180.247	3.269	10	0		AGAERN
CCC(C)(C)C[C@@H](C(C)C)[C@H](C)O	713184798	571999631	/nfs/dbraw/zinc/99/96/31/571999631.db2.gz	URUOSGVRNPAMJR-QWRGUYRKSA-N	0	0	186.339	3.466	10	0		AGAERN
C[C@@H]1Nc2ccc(Cl)cc2C1(C)C	33364694	572000581	/nfs/dbraw/zinc/00/05/81/572000581.db2.gz	OOGFQWSXIXDONE-ZETCQYMHSA-N	0	0	195.693	3.432	10	0		AGAERN
CC1(C)CCCc2ccsc21	39257451	571999735	/nfs/dbraw/zinc/99/97/35/571999735.db2.gz	VPQATLZUGILYBG-UHFFFAOYSA-N	0	0	166.289	3.362	10	0		AGAERN
CCC(C)(C)C[C@@H](C(C)C)[C@@H](C)O	713184790	571999936	/nfs/dbraw/zinc/99/99/36/571999936.db2.gz	URUOSGVRNPAMJR-MNOVXSKESA-N	0	0	186.339	3.466	10	0		AGAERN
CCCCCn1ccc2ncccc21	114093568	571999979	/nfs/dbraw/zinc/99/99/79/571999979.db2.gz	UOEDLUHKFXCFNJ-UHFFFAOYSA-N	0	0	188.274	3.227	10	0		AGAERN
CC(C)(C)C[C@@H](O)[C@@H]1CCCC12CC2	713183529	572000234	/nfs/dbraw/zinc/00/02/34/572000234.db2.gz	PZOMRLNBLRYPKV-WDEREUQCSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)(C)C[C@H](O)[C@@H]1CCCC12CC2	713183528	572000214	/nfs/dbraw/zinc/00/02/14/572000214.db2.gz	PZOMRLNBLRYPKV-QWRGUYRKSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC(C)(C)C[C@H](C(C)C)[C@H](C)O	713184800	572000447	/nfs/dbraw/zinc/00/04/47/572000447.db2.gz	URUOSGVRNPAMJR-WDEREUQCSA-N	0	0	186.339	3.466	10	0		AGAERN
CC[C@H](C)C[C@H](O)[C@H](C)CC(C)C	300879426	572000470	/nfs/dbraw/zinc/00/04/70/572000470.db2.gz	IQCNVZNCSHUXML-TUAOUCFPSA-N	0	0	186.339	3.466	10	0		AGAERN
CC[C@H](C)C[C@H](O)[C@@H](C)CC(C)C	300879425	572000804	/nfs/dbraw/zinc/00/08/04/572000804.db2.gz	IQCNVZNCSHUXML-SRVKXCTJSA-N	0	0	186.339	3.466	10	0		AGAERN
CC[C@@H](CC(C)(C)C(C)C)[C@H](C)O	713185395	572001809	/nfs/dbraw/zinc/00/18/09/572001809.db2.gz	YBEXDDXRSPYJBR-QWRGUYRKSA-N	0	0	186.339	3.466	10	0		AGAERN
CC[C@H](CC(C)(C)C(C)C)[C@H](C)O	713185400	572002041	/nfs/dbraw/zinc/00/20/41/572002041.db2.gz	YBEXDDXRSPYJBR-WDEREUQCSA-N	0	0	186.339	3.466	10	0		AGAERN
CC[C@H](C)C[C@@H](O)[C@H](C)CC(C)C	300879423	572002465	/nfs/dbraw/zinc/00/24/65/572002465.db2.gz	IQCNVZNCSHUXML-QJPTWQEYSA-N	0	0	186.339	3.466	10	0		AGAERN
CCCC[C@H](C)c1onc(N)c1CC	300879050	572002498	/nfs/dbraw/zinc/00/24/98/572002498.db2.gz	FVGKHMUCFXHHPE-QMMMGPOBSA-N	0	0	196.294	3.113	10	0		AGAERN
CCCC[C@H](O)c1ccccc1C	34179754	572003045	/nfs/dbraw/zinc/00/30/45/572003045.db2.gz	WKDAILBYVOSSQF-LBPRGKRZSA-N	0	0	178.275	3.219	10	0		AGAERN
C[C@H]1Nc2ccc(Cl)cc2C1(C)C	33364695	572003347	/nfs/dbraw/zinc/00/33/47/572003347.db2.gz	OOGFQWSXIXDONE-SSDOTTSWSA-N	0	0	195.693	3.432	10	0		AGAERN
CC[C@@H](CC(C)(C)C(C)C)[C@@H](C)O	713185393	572003366	/nfs/dbraw/zinc/00/33/66/572003366.db2.gz	YBEXDDXRSPYJBR-MNOVXSKESA-N	0	0	186.339	3.466	10	0		AGAERN
CC[C@H](CC(C)(C)C(C)C)[C@@H](C)O	713185392	572003491	/nfs/dbraw/zinc/00/34/91/572003491.db2.gz	YBEXDDXRSPYJBR-GHMZBOCLSA-N	0	0	186.339	3.466	10	0		AGAERN
CC(C)=CCC[C@H](O)c1ccccc1	34484663	572003584	/nfs/dbraw/zinc/00/35/84/572003584.db2.gz	YBBITAALGAJTPW-ZDUSSCGKSA-N	0	0	190.286	3.466	10	0		AGAERN
CC[C@H](C)[C@]1(O)CC(C)(C)C[C@@H]1C	234019453	572003924	/nfs/dbraw/zinc/00/39/24/572003924.db2.gz	LTUQFTVBINAGAM-JBLDHEPKSA-N	0	0	184.323	3.220	10	0		AGAERN
C1=C[C@@H]2S[C@@H]3C=CCC[C@H]3[C@@H]2C=C1	98187503	572004097	/nfs/dbraw/zinc/00/40/97/572004097.db2.gz	RXSLLSDQGQAJHM-FIQHERPVSA-N	0	0	190.311	3.179	10	0		AGAERN
C1=C[C@@H]2S[C@@H]3C=CCC[C@H]3[C@H]2C=C1	98187505	572004437	/nfs/dbraw/zinc/00/44/37/572004437.db2.gz	RXSLLSDQGQAJHM-NOOOWODRSA-N	0	0	190.311	3.179	10	0		AGAERN
CC[C@@H](C)C[C@H](O)c1ccccc1	34589343	572004487	/nfs/dbraw/zinc/00/44/87/572004487.db2.gz	KHCFEAPMSDSNTE-PWSUYJOCSA-N	0	0	178.275	3.156	10	0		AGAERN
CCCC[C@H](O)c1[nH]c(C)c(C)c1C	68944470	572004521	/nfs/dbraw/zinc/00/45/21/572004521.db2.gz	JNFMOJZBYDXOGH-NSHDSACASA-N	0	0	195.306	3.164	10	0		AGAERN
CC(C)CC[C@H](O)c1ccccc1	34618379	572004592	/nfs/dbraw/zinc/00/45/92/572004592.db2.gz	CQGNELSSDLGEQT-LBPRGKRZSA-N	0	0	178.275	3.156	10	0		AGAERN
CCCCCC[C@@H](O)CC(F)(F)F	34562822	572004624	/nfs/dbraw/zinc/00/46/24/572004624.db2.gz	VECOBLNSVHLRRE-MRVPVSSYSA-N	0	0	198.228	3.270	10	0		AGAERN
CC(C)CC[C@@H](C)n1cccc1C=O	68945410	572004661	/nfs/dbraw/zinc/00/46/61/572004661.db2.gz	QLCSNJZTWAMLJM-LLVKDONJSA-N	0	0	193.290	3.298	10	0		AGAERN
C1=C[C@@H]2S[C@@H]3C=CCC[C@@H]3[C@H]2C=C1	98187504	572005493	/nfs/dbraw/zinc/00/54/93/572005493.db2.gz	RXSLLSDQGQAJHM-WISYIIOYSA-N	0	0	190.311	3.179	10	0		AGAERN
CCCCCC[C@H]1CCC[C@H]1O	34479293	572004730	/nfs/dbraw/zinc/00/47/30/572004730.db2.gz	CLWLVNYKXTVNCD-WDEREUQCSA-N	0	0	170.296	3.118	10	0		AGAERN
CC[C@@H](C)C[C@@H](O)c1ccccc1	34589347	572004886	/nfs/dbraw/zinc/00/48/86/572004886.db2.gz	KHCFEAPMSDSNTE-ZYHUDNBSSA-N	0	0	178.275	3.156	10	0		AGAERN
CC(C)C(C(=O)C(F)(F)F)C(C)C	687697752	572004902	/nfs/dbraw/zinc/00/49/02/572004902.db2.gz	VTFQPZKAGUVJMB-UHFFFAOYSA-N	0	0	196.212	3.046	10	0		AGAERN
CC(C)CC[C@H](C)n1cccc1C=O	68945412	572004938	/nfs/dbraw/zinc/00/49/38/572004938.db2.gz	QLCSNJZTWAMLJM-NSHDSACASA-N	0	0	193.290	3.298	10	0		AGAERN
CCCC[C@@H](O)c1[nH]c(C)c(C)c1C	68944472	572005143	/nfs/dbraw/zinc/00/51/43/572005143.db2.gz	JNFMOJZBYDXOGH-LLVKDONJSA-N	0	0	195.306	3.164	10	0		AGAERN
CCCCCC[C@@H]1C[C@@H]1CC(=O)OC	14439087	572005073	/nfs/dbraw/zinc/00/50/73/572005073.db2.gz	VSKWTVATUAOXNT-GHMZBOCLSA-N	0	0	198.306	3.156	10	0		AGAERN
CCCC[C@@H](O)c1ccc(C)cc1	34540668	572005170	/nfs/dbraw/zinc/00/51/70/572005170.db2.gz	BAHVSNRQBUCEGZ-GFCCVEGCSA-N	0	0	178.275	3.219	10	0		AGAERN
CC[C@H](C)[C@H](O)C1(C)CCCCC1	234019214	572005171	/nfs/dbraw/zinc/00/51/71/572005171.db2.gz	LENZBVOUXRNXPT-QWRGUYRKSA-N	0	0	184.323	3.364	10	0		AGAERN
CCO[P@H](=O)CC1CCCCC1	114126957	572005325	/nfs/dbraw/zinc/00/53/25/572005325.db2.gz	HCKHQTAWNJRNSN-UHFFFAOYSA-N	0	0	190.223	3.078	10	0		AGAERN
CC(C)=CCC[C@@H](O)c1ccccc1	34484664	572005364	/nfs/dbraw/zinc/00/53/64/572005364.db2.gz	YBBITAALGAJTPW-CYBMUJFWSA-N	0	0	190.286	3.466	10	0		AGAERN
CC[C@H](C)C[C@H](O)c1ccccc1	34589345	572005776	/nfs/dbraw/zinc/00/57/76/572005776.db2.gz	KHCFEAPMSDSNTE-JQWIXIFHSA-N	0	0	178.275	3.156	10	0		AGAERN
C[C@H](c1ccccc1F)n1cccc1	42228270	572007965	/nfs/dbraw/zinc/00/79/65/572007965.db2.gz	GTMDZUGWVQNNNO-SNVBAGLBSA-N	0	0	189.233	3.237	10	0		AGAERN
CC(C)n1nccc1-c1ccccc1	42188376	572008298	/nfs/dbraw/zinc/00/82/98/572008298.db2.gz	LYVYGNRYLUMAST-UHFFFAOYSA-N	0	0	186.258	3.131	10	0		AGAERN
CC1(Nc2cccc(N)c2)CCCC1	42176421	572009114	/nfs/dbraw/zinc/00/91/14/572009114.db2.gz	ROMFASBTNBTSCO-UHFFFAOYSA-N	0	0	190.290	3.013	10	0		AGAERN
CC(C)CCc1cc2cccnc2[nH]1	14590816	572009348	/nfs/dbraw/zinc/00/93/48/572009348.db2.gz	XBGGOCFKYZBURE-UHFFFAOYSA-N	0	0	188.274	3.152	10	0	endogenous,in-man	AGAERN
CCCCCC[C@H](O)c1ccoc1	68979335	572009350	/nfs/dbraw/zinc/00/93/50/572009350.db2.gz	MORBYJWFBSUNKL-NSHDSACASA-N	0	0	182.263	3.283	10	0		AGAERN
CCCCCC[C@@H](O)c1ccoc1	68979336	572009376	/nfs/dbraw/zinc/00/93/76/572009376.db2.gz	MORBYJWFBSUNKL-LLVKDONJSA-N	0	0	182.263	3.283	10	0		AGAERN
CC(C)(C)CC[C@H](O)CCC1CC1	300881651	572009456	/nfs/dbraw/zinc/00/94/56/572009456.db2.gz	OOZDGYADFPNXQV-LLVKDONJSA-N	0	0	184.323	3.364	10	0		AGAERN
c1cc(-c2ccc3c(c2)CCCN3)co1	68978222	572009490	/nfs/dbraw/zinc/00/94/90/572009490.db2.gz	HLEFTMBAFITBOP-UHFFFAOYSA-N	0	0	199.253	3.305	10	0		AGAERN
Cc1ccc(-c2ccon2)cc1Cl	713190599	572010789	/nfs/dbraw/zinc/01/07/89/572010789.db2.gz	NNQXKQYEDSYHOU-UHFFFAOYSA-N	0	0	193.633	3.303	10	0		AGAERN
CCOCSCC1CCCCC1	393454197	572010797	/nfs/dbraw/zinc/01/07/97/572010797.db2.gz	HMJZYYAYANTDTR-UHFFFAOYSA-N	0	0	188.336	3.294	10	0		AGAERN
Cc1cc2c(cc1C)-n1cccc1CN2	76637598	572011305	/nfs/dbraw/zinc/01/13/05/572011305.db2.gz	KJWYCAJYNVKPBO-UHFFFAOYSA-N	0	0	198.269	3.020	10	0		AGAERN
Cc1cc2nc(Cl)oc2cc1C	33420156	572011349	/nfs/dbraw/zinc/01/13/49/572011349.db2.gz	YSYUEARQENDFOX-UHFFFAOYSA-N	0	0	181.622	3.098	10	0		AGAERN
CCCC[C@@H](CC)Nc1cccnc1	68985263	572011821	/nfs/dbraw/zinc/01/18/21/572011821.db2.gz	MCQWCZAPDDJGSQ-LLVKDONJSA-N	0	0	192.306	3.462	10	0		AGAERN
C[C@H](O)C[C@@H](C)C[C@H]1CC=CCC1	402117303	572012514	/nfs/dbraw/zinc/01/25/14/572012514.db2.gz	AMSSLZGHSIQUGQ-WOPDTQHZSA-N	0	0	182.307	3.140	10	0		AGAERN
C[C@H](O)C[C@H](C)C[C@H]1CC=CCC1	402117302	572012519	/nfs/dbraw/zinc/01/25/19/572012519.db2.gz	AMSSLZGHSIQUGQ-SRVKXCTJSA-N	0	0	182.307	3.140	10	0		AGAERN
CCCCCOc1ccc(C)c(N)c1	300882396	572012917	/nfs/dbraw/zinc/01/29/17/572012917.db2.gz	NAPGCBAUXJKADU-UHFFFAOYSA-N	0	0	193.290	3.146	10	0		AGAERN
CC[C@H](C)CC(=O)[C@H]1CCC[C@H]1C	300231067	572013387	/nfs/dbraw/zinc/01/33/87/572013387.db2.gz	AUSNSVRHMKQIOL-AXFHLTTASA-N	0	0	182.307	3.428	10	0		AGAERN
CCCC[C@H](CC)NCC(F)(F)F	68985173	572013584	/nfs/dbraw/zinc/01/35/84/572013584.db2.gz	QVWZZDVLNYFROM-QMMMGPOBSA-N	0	0	197.244	3.107	10	0		AGAERN
O[C@H](CCC[C@@H]1CC=CCC1)C1CC1	402114741	572013692	/nfs/dbraw/zinc/01/36/92/572013692.db2.gz	AAYFFQLZNQZTSS-DGCLKSJQSA-N	0	0	194.318	3.284	10	0		AGAERN
O[C@H](CCC[C@H]1CC=CCC1)C1CC1	402114743	572014111	/nfs/dbraw/zinc/01/41/11/572014111.db2.gz	AAYFFQLZNQZTSS-WCQYABFASA-N	0	0	194.318	3.284	10	0		AGAERN
CCCC[C@H](CC)Nc1cccnc1	68985266	572014446	/nfs/dbraw/zinc/01/44/46/572014446.db2.gz	MCQWCZAPDDJGSQ-NSHDSACASA-N	0	0	192.306	3.462	10	0		AGAERN
CCC(CC)[C@H](O)[C@H]1CCC[C@H]1C	300236239	572014710	/nfs/dbraw/zinc/01/47/10/572014710.db2.gz	UICJOXYVVZBULV-USWWRNFRSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H](C)C[C@H](O)[C@H]1CCC[C@H]1C	300236645	572014811	/nfs/dbraw/zinc/01/48/11/572014811.db2.gz	VSBNJCJVHOWYOD-USZNOCQGSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC(CC)[C@H](O)[C@@H]1CCC[C@H]1C	300236238	572015289	/nfs/dbraw/zinc/01/52/89/572015289.db2.gz	UICJOXYVVZBULV-JLLWLGSASA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1cc(C2CCCC2)ccc1N	33487345	572015264	/nfs/dbraw/zinc/01/52/64/572015264.db2.gz	QLDQEEALUPDTBC-UHFFFAOYSA-N	0	0	175.275	3.235	10	0		AGAERN
Cc1cc(N)ccc1C1CCCC1	33487346	572015421	/nfs/dbraw/zinc/01/54/21/572015421.db2.gz	YIWXIIHQZJSRPI-UHFFFAOYSA-N	0	0	175.275	3.235	10	0		AGAERN
CCCCC[C@H](O)[C@H]1CCC[C@H]1C	300233280	572015548	/nfs/dbraw/zinc/01/55/48/572015548.db2.gz	JZDDKXDRBXJLHO-WOPDTQHZSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)C[C@H](O)[C@H]1CCC[C@@H]1C	300236643	572016199	/nfs/dbraw/zinc/01/61/99/572016199.db2.gz	VSBNJCJVHOWYOD-BJDJZHNGSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H](C)C[C@H](O)[C@@H]1CCC[C@H]1C	300236644	572016965	/nfs/dbraw/zinc/01/69/65/572016965.db2.gz	VSBNJCJVHOWYOD-QCNOEVLYSA-N	0	0	184.323	3.220	10	0		AGAERN
CCc1ccc2c(C)c(O)ccc2c1	33505952	572018229	/nfs/dbraw/zinc/01/82/29/572018229.db2.gz	QVKVJGRHFZWVLH-UHFFFAOYSA-N	0	0	186.254	3.416	10	0		AGAERN
Cc1cccc(OCCC(C)C)c1N	35283395	572018810	/nfs/dbraw/zinc/01/88/10/572018810.db2.gz	VABQIOAYBHBWDR-UHFFFAOYSA-N	0	0	193.290	3.002	10	0		AGAERN
CCCCCOc1cccc(C)c1N	35283390	572019026	/nfs/dbraw/zinc/01/90/26/572019026.db2.gz	CXHRSNGIXHNYAC-UHFFFAOYSA-N	0	0	193.290	3.146	10	0		AGAERN
Cc1cc(O)cc(C(C)C)c1Cl	33506871	572019094	/nfs/dbraw/zinc/01/90/94/572019094.db2.gz	QPDXBKHZJRUURK-UHFFFAOYSA-N	0	0	184.666	3.477	10	0		AGAERN
CCCCCOc1cccc(N)c1C	35282947	572019276	/nfs/dbraw/zinc/01/92/76/572019276.db2.gz	YPYCIIMNOOAMOJ-UHFFFAOYSA-N	0	0	193.290	3.146	10	0		AGAERN
Cc1c(N)cccc1OCCC(C)C	35282954	572019594	/nfs/dbraw/zinc/01/95/94/572019594.db2.gz	CKADVVDOSDEGQH-UHFFFAOYSA-N	0	0	193.290	3.002	10	0		AGAERN
CCCc1c(O)ccc2ccccc12	33505973	572019693	/nfs/dbraw/zinc/01/96/93/572019693.db2.gz	RTBVSPYAMKKYPM-UHFFFAOYSA-N	0	0	186.254	3.498	10	0		AGAERN
CCCCCNc1ccc(N)c(C)c1	35277705	572019707	/nfs/dbraw/zinc/01/97/07/572019707.db2.gz	ZZIGKUHCBKJEJT-UHFFFAOYSA-N	0	0	192.306	3.179	10	0		AGAERN
CCC(CC)[C@H](O)c1ccccc1	35301732	572020229	/nfs/dbraw/zinc/02/02/29/572020229.db2.gz	NSRYPIDJWQKNPQ-LBPRGKRZSA-N	0	0	178.275	3.156	10	0		AGAERN
C[C@H]1CCC=C2CCC(=O)C[C@@]21C	14823262	572022124	/nfs/dbraw/zinc/02/21/24/572022124.db2.gz	RKKGFWOMSDLRQL-JOYOIKCWSA-N	0	0	178.275	3.102	10	0		AGAERN
CSC[C@H](C)Cn1c(C)ccc1C	69014750	572021929	/nfs/dbraw/zinc/02/19/29/572021929.db2.gz	ZMBQOASEQIXGOC-SECBINFHSA-N	0	0	197.347	3.104	10	0		AGAERN
C[C@H]1CCC=C2CCC(=O)C[C@]21C	14823258	572021969	/nfs/dbraw/zinc/02/19/69/572021969.db2.gz	RKKGFWOMSDLRQL-CABZTGNLSA-N	0	0	178.275	3.102	10	0		AGAERN
CNc1ccc(OCC(C)(C)C)cc1	713198674	572022247	/nfs/dbraw/zinc/02/22/47/572022247.db2.gz	KMPZBTSJJYEKEA-UHFFFAOYSA-N	0	0	193.290	3.153	10	0		AGAERN
CC(C)C[C@H](C)C[C@@H](C)C[C@@H](C)O	300888989	572023090	/nfs/dbraw/zinc/02/30/90/572023090.db2.gz	JRBQXJGSPSROCW-QJPTWQEYSA-N	0	0	186.339	3.466	10	0		AGAERN
CC(C)C[C@H](C)C[C@@H](C)C[C@H](C)O	300889000	572023457	/nfs/dbraw/zinc/02/34/57/572023457.db2.gz	JRBQXJGSPSROCW-TUAOUCFPSA-N	0	0	186.339	3.466	10	0		AGAERN
CC(C)CCOc1cccc(Cl)n1	82460578	572023512	/nfs/dbraw/zinc/02/35/12/572023512.db2.gz	DKXPODSYLBMOME-UHFFFAOYSA-N	0	0	199.681	3.160	10	0		AGAERN
CC(C)C[C@H](C)C[C@H](C)C[C@@H](C)O	300888993	572023709	/nfs/dbraw/zinc/02/37/09/572023709.db2.gz	JRBQXJGSPSROCW-SDDRHHMPSA-N	0	0	186.339	3.466	10	0		AGAERN
CC(C)C[C@H](C)C[C@H](C)C[C@H](C)O	300888997	572023729	/nfs/dbraw/zinc/02/37/29/572023729.db2.gz	JRBQXJGSPSROCW-SRVKXCTJSA-N	0	0	186.339	3.466	10	0		AGAERN
CC1(C)CCc2c(Cl)cc(O)cc21	33605275	572026102	/nfs/dbraw/zinc/02/61/02/572026102.db2.gz	XDXVRAOZMUSNFK-UHFFFAOYSA-N	0	0	196.677	3.269	10	0		AGAERN
CCCC[C@@H](C)[C@H](O)c1ccco1	300891471	572024953	/nfs/dbraw/zinc/02/49/53/572024953.db2.gz	HOYTUJJCKZIIKO-KOLCDFICSA-N	0	0	182.263	3.139	10	0		AGAERN
CCC[C@H](C)COC(=O)[C@H](C)CC	33607293	572024958	/nfs/dbraw/zinc/02/49/58/572024958.db2.gz	RVVHHUUVQYONCR-VHSXEESVSA-N	0	0	186.295	3.012	10	0		AGAERN
C[C@@H]1CCC(=O)[C@H](C(C)(C)C)C1	33605929	572025120	/nfs/dbraw/zinc/02/51/20/572025120.db2.gz	JYQXSLRPPWZDEB-RKDXNWHRSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1c(O)cc2c(c1C)CCC2(C)C	33605752	572025272	/nfs/dbraw/zinc/02/52/72/572025272.db2.gz	QACSMPNJLJBVQD-UHFFFAOYSA-N	0	0	190.286	3.233	10	0		AGAERN
C[C@H]1CCC(=O)[C@@H](C(C)(C)C)C1	33605927	572025348	/nfs/dbraw/zinc/02/53/48/572025348.db2.gz	JYQXSLRPPWZDEB-IUCAKERBSA-N	0	0	168.280	3.038	10	0		AGAERN
CC1(C)CCc2c(O)ccc(Cl)c21	33611160	572025382	/nfs/dbraw/zinc/02/53/82/572025382.db2.gz	KZOVKESZCFEXNY-UHFFFAOYSA-N	0	0	196.677	3.269	10	0		AGAERN
CCCC[C@H](C)[C@@H](O)c1ccoc1	300893290	572025455	/nfs/dbraw/zinc/02/54/55/572025455.db2.gz	HXFXTFFWQPCVPF-GXSJLCMTSA-N	0	0	182.263	3.139	10	0		AGAERN
C[C@@H]1CCC(=O)[C@@H](C(C)(C)C)C1	33605925	572025552	/nfs/dbraw/zinc/02/55/52/572025552.db2.gz	JYQXSLRPPWZDEB-BDAKNGLRSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCC[C@H](C)[C@@H](O)c1ccco1	300891470	572025765	/nfs/dbraw/zinc/02/57/65/572025765.db2.gz	HOYTUJJCKZIIKO-GXSJLCMTSA-N	0	0	182.263	3.139	10	0		AGAERN
CCCC[C@@H](C)[C@@H](O)c1ccco1	300891472	572026129	/nfs/dbraw/zinc/02/61/29/572026129.db2.gz	HOYTUJJCKZIIKO-MWLCHTKSSA-N	0	0	182.263	3.139	10	0		AGAERN
CC(C)CCc1ccc(C=O)cc1	33608125	572026083	/nfs/dbraw/zinc/02/60/83/572026083.db2.gz	HWVKHXKLEJRRJU-UHFFFAOYSA-N	0	0	176.259	3.088	10	0		AGAERN
CCCC[C@]1(C)C=C(C)CCO1	33605134	572025977	/nfs/dbraw/zinc/02/59/77/572025977.db2.gz	UQKWXXUNZGHJMP-LLVKDONJSA-N	0	0	168.280	3.302	10	0		AGAERN
CCC(=O)[C@H](C)CCC(C)(C)C	82442447	572026023	/nfs/dbraw/zinc/02/60/23/572026023.db2.gz	NKTWSPSNMSTPNY-SECBINFHSA-N	0	0	170.296	3.428	10	0		AGAERN
CCCC[C@@H](C)[C@@H](O)c1ccoc1	300893297	572026170	/nfs/dbraw/zinc/02/61/70/572026170.db2.gz	HXFXTFFWQPCVPF-MWLCHTKSSA-N	0	0	182.263	3.139	10	0		AGAERN
CCCC[C@@H](C)[C@H](O)c1ccoc1	300893293	572026386	/nfs/dbraw/zinc/02/63/86/572026386.db2.gz	HXFXTFFWQPCVPF-KOLCDFICSA-N	0	0	182.263	3.139	10	0		AGAERN
CCCC[C@H](C)[C@H](O)c1ccco1	300891473	572026310	/nfs/dbraw/zinc/02/63/10/572026310.db2.gz	HOYTUJJCKZIIKO-ONGXEEELSA-N	0	0	182.263	3.139	10	0		AGAERN
C[C@H]1CCC(=O)[C@H](C(C)(C)C)C1	33605931	572026356	/nfs/dbraw/zinc/02/63/56/572026356.db2.gz	JYQXSLRPPWZDEB-DTWKUNHWSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCCCOc1cc(N)ccc1C	35678005	572026541	/nfs/dbraw/zinc/02/65/41/572026541.db2.gz	LRHQCCNTNBGNGD-UHFFFAOYSA-N	0	0	193.290	3.146	10	0		AGAERN
CCC(=O)[C@H](C)CC1CCCC1	82442633	572026621	/nfs/dbraw/zinc/02/66/21/572026621.db2.gz	CNDTWYJNGKHOHN-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC(=O)[C@H](C)CCC(C)C	82442473	572027499	/nfs/dbraw/zinc/02/74/99/572027499.db2.gz	JMHXCWZTQJOIKV-SECBINFHSA-N	0	0	156.269	3.038	10	0		AGAERN
COc1cc(C)ccc1CC(C)C	33637735	572027617	/nfs/dbraw/zinc/02/76/17/572027617.db2.gz	ITCLFWJTLBAMIG-UHFFFAOYSA-N	0	0	178.275	3.202	10	0		AGAERN
CCC(=O)[C@@H](C)CCC(C)(C)C	82442446	572028265	/nfs/dbraw/zinc/02/82/65/572028265.db2.gz	NKTWSPSNMSTPNY-VIFPVBQESA-N	0	0	170.296	3.428	10	0		AGAERN
CC(C)C[C@H](C)CNc1cccnc1	300890586	572028128	/nfs/dbraw/zinc/02/81/28/572028128.db2.gz	JVAYCOAFVWHBIU-NSHDSACASA-N	0	0	192.306	3.176	10	0		AGAERN
Nc1ccc([C@@H]2C=CCCC2)cc1	33640101	572028495	/nfs/dbraw/zinc/02/84/95/572028495.db2.gz	XZYDGGVWIJMXPF-SNVBAGLBSA-N	0	0	173.259	3.093	10	0		AGAERN
CC[C@@H](O)[C@@H](C)CCC(C)(C)C	82447876	572028821	/nfs/dbraw/zinc/02/88/21/572028821.db2.gz	GWXTYSDYQUCBIS-VHSXEESVSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCSC(C)(C)CC(C)=O	33637668	572029017	/nfs/dbraw/zinc/02/90/17/572029017.db2.gz	GPORBOQNCZHDBJ-UHFFFAOYSA-N	0	0	188.336	3.277	10	0		AGAERN
CC(C)C[C@@H](C)CNc1cccnc1	300890584	572029106	/nfs/dbraw/zinc/02/91/06/572029106.db2.gz	JVAYCOAFVWHBIU-LLVKDONJSA-N	0	0	192.306	3.176	10	0		AGAERN
Nc1ccc([C@H]2C=CCCC2)cc1	33640100	572029150	/nfs/dbraw/zinc/02/91/50/572029150.db2.gz	XZYDGGVWIJMXPF-JTQLQIEISA-N	0	0	173.259	3.093	10	0		AGAERN
C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccco1	35738505	572030588	/nfs/dbraw/zinc/03/05/88/572030588.db2.gz	BZVDKWCNCJWXCT-UWVGGRQHSA-N	0	0	193.290	3.119	10	0		AGAERN
CCC[C@H](C)C[C@H](C)[C@H](O)CC	82448272	572029568	/nfs/dbraw/zinc/02/95/68/572029568.db2.gz	FOTDCDGKVILXAQ-GARJFASQSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCC[C@@H](O)c1cccc(C)n1	82451339	572029629	/nfs/dbraw/zinc/02/96/29/572029629.db2.gz	YMUYRTHJXLIFDQ-GFCCVEGCSA-N	0	0	193.290	3.004	10	0		AGAERN
CC[C@H](O)[C@H](C)CCC(C)(C)C	82447877	572029680	/nfs/dbraw/zinc/02/96/80/572029680.db2.gz	GWXTYSDYQUCBIS-ZJUUUORDSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCCC[C@H](C)[C@H](O)CC	82448417	572029728	/nfs/dbraw/zinc/02/97/28/572029728.db2.gz	KWGNEVQOFIOSMR-WDEREUQCSA-N	0	0	172.312	3.364	10	0		AGAERN
CCCCC[C@H](O)c1cccc(C)n1	82451338	572029777	/nfs/dbraw/zinc/02/97/77/572029777.db2.gz	YMUYRTHJXLIFDQ-LBPRGKRZSA-N	0	0	193.290	3.004	10	0		AGAERN
Cc1cccc(C(=O)CCC(C)C)n1	82451270	572029860	/nfs/dbraw/zinc/02/98/60/572029860.db2.gz	NZSCTIYABUOTEH-UHFFFAOYSA-N	0	0	191.274	3.009	10	0		AGAERN
CCC[C@H](C)C[C@@H](C)[C@H](O)CC	82448268	572030033	/nfs/dbraw/zinc/03/00/33/572030033.db2.gz	FOTDCDGKVILXAQ-HBNTYKKESA-N	0	0	172.312	3.220	10	0		AGAERN
C[C@H]([NH2+][C@H](C)C1(C)CC1)c1ccco1	35738509	572030048	/nfs/dbraw/zinc/03/00/48/572030048.db2.gz	BZVDKWCNCJWXCT-VHSXEESVSA-N	0	0	193.290	3.119	10	0		AGAERN
CCCCCC[C@H](C)[C@@H](O)CC	82448421	572030051	/nfs/dbraw/zinc/03/00/51/572030051.db2.gz	KWGNEVQOFIOSMR-QWRGUYRKSA-N	0	0	172.312	3.364	10	0		AGAERN
CC[C@@H](O)[C@H](C)CCC(C)(C)C	82447879	572030121	/nfs/dbraw/zinc/03/01/21/572030121.db2.gz	GWXTYSDYQUCBIS-NXEZZACHSA-N	0	0	172.312	3.220	10	0		AGAERN
CC(C)C[C@H](C)[C@@H](O)C1CCCC1	300894402	572030222	/nfs/dbraw/zinc/03/02/22/572030222.db2.gz	KENXSFXSACSYAJ-CMPLNLGQSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1ccc2nn(C(C)C)c(C)c2c1	219685950	572030241	/nfs/dbraw/zinc/03/02/41/572030241.db2.gz	TWAIDZVMGLENFF-UHFFFAOYSA-N	0	0	188.274	3.234	10	0		AGAERN
CC(C)C[C@@H](C)[C@@H](O)C1CCCC1	300894407	572030245	/nfs/dbraw/zinc/03/02/45/572030245.db2.gz	KENXSFXSACSYAJ-ZYHUDNBSSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@@H](C)[C@H](O)C1CCCC1	300894405	572030283	/nfs/dbraw/zinc/03/02/83/572030283.db2.gz	KENXSFXSACSYAJ-PWSUYJOCSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@H](C)[C@H](O)C1CCCC1	300894404	572030382	/nfs/dbraw/zinc/03/03/82/572030382.db2.gz	KENXSFXSACSYAJ-JQWIXIFHSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H](C)CC(=O)c1cccc(C)n1	82451286	572030479	/nfs/dbraw/zinc/03/04/79/572030479.db2.gz	RWBAEQDLGUWMNM-VIFPVBQESA-N	0	0	191.274	3.009	10	0		AGAERN
CCCSCc1cccc(N)c1C	35649545	572030498	/nfs/dbraw/zinc/03/04/98/572030498.db2.gz	JDRGBOULLIABTA-UHFFFAOYSA-N	0	0	195.331	3.220	10	0		AGAERN
CCC[C@@H](C)C[NH2+][C@@H](C)c1ccco1	35738684	572030655	/nfs/dbraw/zinc/03/06/55/572030655.db2.gz	DOWQTSFFUXQHRZ-MNOVXSKESA-N	0	0	195.306	3.366	10	0		AGAERN
C[C@H]([NH2+][C@H](C)c1ccco1)C1(C)CC1	35738507	572030678	/nfs/dbraw/zinc/03/06/78/572030678.db2.gz	BZVDKWCNCJWXCT-ZJUUUORDSA-N	0	0	193.290	3.119	10	0		AGAERN
CCCCCC[C@@H](C)[C@@H](O)CC	82448419	572030826	/nfs/dbraw/zinc/03/08/26/572030826.db2.gz	KWGNEVQOFIOSMR-MNOVXSKESA-N	0	0	172.312	3.364	10	0		AGAERN
CN1CC(C)(C)Sc2sccc21	75592986	572030867	/nfs/dbraw/zinc/03/08/67/572030867.db2.gz	PAQMVYJMQFMYMU-UHFFFAOYSA-N	0	0	199.344	3.069	10	0		AGAERN
CC[C@@H](C)CC(=O)c1cccc(C)n1	82451285	572030891	/nfs/dbraw/zinc/03/08/91/572030891.db2.gz	RWBAEQDLGUWMNM-SECBINFHSA-N	0	0	191.274	3.009	10	0		AGAERN
Cc1cccc2c(C)n(C(C)C)nc12	219686133	572031056	/nfs/dbraw/zinc/03/10/56/572031056.db2.gz	XLDZXAXZNGGVQA-UHFFFAOYSA-N	0	0	188.274	3.234	10	0		AGAERN
c1cc2c(c(-n3cccc3)c1)CCCC2	35651184	572031058	/nfs/dbraw/zinc/03/10/58/572031058.db2.gz	OPIZKYGWLCQQPH-UHFFFAOYSA-N	0	0	197.281	3.356	10	0		AGAERN
CC[C@H](C)[C@H](C)[C@@H](O)c1ccccc1	229084861	572032296	/nfs/dbraw/zinc/03/22/96/572032296.db2.gz	DIQBDPMYDMETFL-GMXVVIOVSA-N	0	0	192.302	3.402	10	0		AGAERN
CC[C@@H](C)C[C@@H](CC)Nc1cn[nH]c1	35763732	572032427	/nfs/dbraw/zinc/03/24/27/572032427.db2.gz	MZUIRYSCKLBRSO-NXEZZACHSA-N	0	0	195.310	3.036	10	0		AGAERN
CC[C@H](C)C[C@H](CC)Nc1cn[nH]c1	35763735	572032722	/nfs/dbraw/zinc/03/27/22/572032722.db2.gz	MZUIRYSCKLBRSO-UWVGGRQHSA-N	0	0	195.310	3.036	10	0		AGAERN
CCc1cc(Cl)cc(CC)c1O	33756344	572033358	/nfs/dbraw/zinc/03/33/58/572033358.db2.gz	OXKBCHQEHIGUDI-UHFFFAOYSA-N	0	0	184.666	3.170	10	0		AGAERN
CCCCCC[C@@H](C)Nc1cn[nH]c1	35763588	572033369	/nfs/dbraw/zinc/03/33/69/572033369.db2.gz	IOUNSRIJNVTQLC-SNVBAGLBSA-N	0	0	195.310	3.181	10	0		AGAERN
CC[C@@H](C[C@H](C)CC)Nc1cn[nH]c1	35763734	572033738	/nfs/dbraw/zinc/03/37/38/572033738.db2.gz	MZUIRYSCKLBRSO-ZJUUUORDSA-N	0	0	195.310	3.036	10	0		AGAERN
CCCCCC[C@H](C)Nc1cn[nH]c1	35763589	572033766	/nfs/dbraw/zinc/03/37/66/572033766.db2.gz	IOUNSRIJNVTQLC-JTQLQIEISA-N	0	0	195.310	3.181	10	0		AGAERN
OSCc1cccc2ccccc12	526855806	572033784	/nfs/dbraw/zinc/03/37/84/572033784.db2.gz	HFWVMRMOWSWGIA-UHFFFAOYSA-N	0	0	189.259	3.419	10	0		AGAERN
CC[C@H](C)[C@H](C)n1cccc1	42558329	572034221	/nfs/dbraw/zinc/03/42/21/572034221.db2.gz	LVSITLLSTLVZLC-UWVGGRQHSA-N	0	0	151.253	3.095	10	0		AGAERN
O[C@H]1CCCC/C=C/c2ccccc21	33748445	572034517	/nfs/dbraw/zinc/03/45/17/572034517.db2.gz	ZAHDGOUQVBHOKL-MXPWBENCSA-N	0	0	188.270	3.307	10	0		AGAERN
Cc1sccc1C1=CCC(=O)CC1	687776214	572034571	/nfs/dbraw/zinc/03/45/71/572034571.db2.gz	AONYVUPXSMLBOW-UHFFFAOYSA-N	0	0	192.283	3.193	10	0		AGAERN
CC[C@H](C)[C@H](C)Nc1nc(C)cs1	42557337	572035136	/nfs/dbraw/zinc/03/51/36/572035136.db2.gz	ZTAWIKOZHWULMN-CBAPKCEASA-N	0	0	198.335	3.298	10	0		AGAERN
CC[C@H](C)[C@@H](C)n1cccc1	42558323	572035291	/nfs/dbraw/zinc/03/52/91/572035291.db2.gz	LVSITLLSTLVZLC-VHSXEESVSA-N	0	0	151.253	3.095	10	0		AGAERN
CCCC[C@H](C)Nc1ccc(O)cc1	37316813	572035339	/nfs/dbraw/zinc/03/53/39/572035339.db2.gz	FDPFROAGFATXHY-JTQLQIEISA-N	0	0	193.290	3.383	10	0		AGAERN
CC[C@H](CCO)CCCC(C)C	113557200	572035366	/nfs/dbraw/zinc/03/53/66/572035366.db2.gz	GFKZIVNKGBFVJC-NSHDSACASA-N	0	0	172.312	3.221	10	0		AGAERN
Cc1ccc2occc2c1C	15119459	572035685	/nfs/dbraw/zinc/03/56/85/572035685.db2.gz	BICFOGDDVXBEJA-UHFFFAOYSA-N	0	0	146.189	3.050	10	0		AGAERN
CC[C@@H](CCO)CCCC(C)C	113557198	572035696	/nfs/dbraw/zinc/03/56/96/572035696.db2.gz	GFKZIVNKGBFVJC-LLVKDONJSA-N	0	0	172.312	3.221	10	0		AGAERN
CC[C@@H](C)[C@@H](C)n1cc[nH]c1=S	42557446	572035729	/nfs/dbraw/zinc/03/57/29/572035729.db2.gz	BDVSGUFZHUZKAZ-HTQZYQBOSA-N	0	0	184.308	3.153	10	0		AGAERN
CC[C@@H](C)[C@@H](C)Nc1nc(C)cs1	42557328	572035862	/nfs/dbraw/zinc/03/58/62/572035862.db2.gz	ZTAWIKOZHWULMN-VXNVDRBHSA-N	0	0	198.335	3.298	10	0		AGAERN
CC[C@@H](C)[C@H](C)n1cc[nH]c1=S	42557452	572035913	/nfs/dbraw/zinc/03/59/13/572035913.db2.gz	BDVSGUFZHUZKAZ-SFYZADRCSA-N	0	0	184.308	3.153	10	0		AGAERN
CCC(CC)COc1ccnc(F)c1	300905900	572035985	/nfs/dbraw/zinc/03/59/85/572035985.db2.gz	XBYSUDWHZNRPER-UHFFFAOYSA-N	0	0	197.253	3.036	10	0		AGAERN
CC1=C[C@H](C)CNc2ccccc21	33835298	572036944	/nfs/dbraw/zinc/03/69/44/572036944.db2.gz	CVGNNVLVWMHJJX-VIFPVBQESA-N	0	0	173.259	3.152	10	0		AGAERN
CC[C@@H](C)[C@H](C)Nc1nc(C)cs1	42557334	572036948	/nfs/dbraw/zinc/03/69/48/572036948.db2.gz	ZTAWIKOZHWULMN-APPZFPTMSA-N	0	0	198.335	3.298	10	0		AGAERN
CC[C@H](C)[C@@H](C)n1cc[nH]c1=S	42557449	572036989	/nfs/dbraw/zinc/03/69/89/572036989.db2.gz	BDVSGUFZHUZKAZ-JGVFFNPUSA-N	0	0	184.308	3.153	10	0		AGAERN
Cc1cc2cccc(C)c2cc1O	15120135	572036991	/nfs/dbraw/zinc/03/69/91/572036991.db2.gz	VSGLISDHRPGWIH-UHFFFAOYSA-N	0	0	172.227	3.162	10	0		AGAERN
CC(C)C[C@H](C)CC[C@@H](O)C1CC1	300905640	572037057	/nfs/dbraw/zinc/03/70/57/572037057.db2.gz	LIJQOBSBYIJXTE-ZYHUDNBSSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@@H](C)CC[C@@H](O)C1CC1	300905631	572037059	/nfs/dbraw/zinc/03/70/59/572037059.db2.gz	LIJQOBSBYIJXTE-CMPLNLGQSA-N	0	0	184.323	3.220	10	0		AGAERN
CC1=C[C@@H](C)CNc2ccccc21	33835299	572037406	/nfs/dbraw/zinc/03/74/06/572037406.db2.gz	CVGNNVLVWMHJJX-SECBINFHSA-N	0	0	173.259	3.152	10	0		AGAERN
Oc1ccc(C=C(Cl)Cl)cc1	33835669	572037471	/nfs/dbraw/zinc/03/74/71/572037471.db2.gz	DQQXPDAVLLJOGV-UHFFFAOYSA-N	0	0	189.041	3.168	10	0		AGAERN
COC1=CC(C)(C)CC(C)(C)C1	206460612	572037571	/nfs/dbraw/zinc/03/75/71/572037571.db2.gz	ARNVWKQDTCPITK-UHFFFAOYSA-N	0	0	168.280	3.363	10	0		AGAERN
CC(C)C[C@H](C)CC[C@H](O)C1CC1	300905637	572037689	/nfs/dbraw/zinc/03/76/89/572037689.db2.gz	LIJQOBSBYIJXTE-PWSUYJOCSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@@H](COC(C)(C)C)OC(C)(C)C	33839279	572038250	/nfs/dbraw/zinc/03/82/50/572038250.db2.gz	IVZAIGFRIOMAIK-VIFPVBQESA-N	0	0	188.311	3.005	10	0		AGAERN
Clc1cccc(Cn2cccc2)c1	33835541	572037874	/nfs/dbraw/zinc/03/78/74/572037874.db2.gz	RFHKSFUOXUSDNN-UHFFFAOYSA-N	0	0	191.661	3.190	10	0		AGAERN
C/C=C/CSc1ccccc1O	33840932	572037985	/nfs/dbraw/zinc/03/79/85/572037985.db2.gz	QGSKBYMOGHDRGI-NSCUHMNNSA-N	0	0	180.272	3.060	10	0		AGAERN
CCCCc1ccccc1NC	33836212	572038217	/nfs/dbraw/zinc/03/82/17/572038217.db2.gz	YBGGKFXBLBALPM-UHFFFAOYSA-N	0	0	163.264	3.071	10	0		AGAERN
CC(C)(C)CCCn1cccc1C=O	300907080	572038658	/nfs/dbraw/zinc/03/86/58/572038658.db2.gz	RMEBVBZJQTXBSE-UHFFFAOYSA-N	0	0	193.290	3.127	10	0		AGAERN
CC(C)C[C@H](C)C[C@@H]1CC[C@H](O)[C@@H]1C	300902661	572038671	/nfs/dbraw/zinc/03/86/71/572038671.db2.gz	LBTVQUWWSVUPKZ-RNJOBUHISA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)C[C@H](C)C[C@@H]1CC[C@H](O)[C@H]1C	300902654	572038674	/nfs/dbraw/zinc/03/86/74/572038674.db2.gz	LBTVQUWWSVUPKZ-CYDGBPFRSA-N	0	0	198.350	3.466	10	0		AGAERN
CC[C@H](C(C)C)n1cccc1	42593095	572039774	/nfs/dbraw/zinc/03/97/74/572039774.db2.gz	VHYZWPRZPOXZOJ-SNVBAGLBSA-N	0	0	151.253	3.095	10	0		AGAERN
CC(C)C[C@H](C)C[C@@H]1CC[C@@H](O)[C@@H]1C	300902658	572039670	/nfs/dbraw/zinc/03/96/70/572039670.db2.gz	LBTVQUWWSVUPKZ-QNWHQSFQSA-N	0	0	198.350	3.466	10	0		AGAERN
CC1=CCCC(C)(C)[C@H]1/C=C(\C)CO	33843913	572040072	/nfs/dbraw/zinc/04/00/72/572040072.db2.gz	AUVMXAIUMYYTKT-OANVXVOSSA-N	0	0	194.318	3.308	10	0		AGAERN
CC(C)C[C@H](C)C[C@@H]1CC[C@@H](O)[C@H]1C	300902664	572040127	/nfs/dbraw/zinc/04/01/27/572040127.db2.gz	LBTVQUWWSVUPKZ-ZDEQEGDKSA-N	0	0	198.350	3.466	10	0		AGAERN
CCC[C@@H](CC)Nc1cncc(F)c1	300903030	572040477	/nfs/dbraw/zinc/04/04/77/572040477.db2.gz	DEWLXTJMAAZWQO-SNVBAGLBSA-N	0	0	196.269	3.211	10	0		AGAERN
C/C=C/Sc1cccs1	33845756	572040504	/nfs/dbraw/zinc/04/05/04/572040504.db2.gz	KHVVAPOSLPACCP-GORDUTHDSA-N	0	0	156.275	3.374	10	0		AGAERN
CC1=C(/C=C/CO)C(C)(C)CCC1	33845455	572040598	/nfs/dbraw/zinc/04/05/98/572040598.db2.gz	GFSKLLUNKJXCDN-FNORWQNLSA-N	0	0	180.291	3.062	10	0		AGAERN
CCC[C@H](CC)Nc1cncc(F)c1	300903028	572040794	/nfs/dbraw/zinc/04/07/94/572040794.db2.gz	DEWLXTJMAAZWQO-JTQLQIEISA-N	0	0	196.269	3.211	10	0		AGAERN
CC1=CCCC(C)(C)[C@@H]1/C=C(\C)CO	33843912	572040960	/nfs/dbraw/zinc/04/09/60/572040960.db2.gz	AUVMXAIUMYYTKT-ZJNQMXKESA-N	0	0	194.318	3.308	10	0		AGAERN
CC(C)C[C@H](C)[C@H](O)CCC1CC1	300909368	572041256	/nfs/dbraw/zinc/04/12/56/572041256.db2.gz	LRUCVJMIWOTTQQ-CMPLNLGQSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@@H](C)[C@H](O)CCC1CC1	300909379	572041327	/nfs/dbraw/zinc/04/13/27/572041327.db2.gz	LRUCVJMIWOTTQQ-ZYHUDNBSSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@@H](C)[C@@H](O)CCC1CC1	300909376	572041383	/nfs/dbraw/zinc/04/13/83/572041383.db2.gz	LRUCVJMIWOTTQQ-PWSUYJOCSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@@H](C)CC(=O)C1(C)CC1	300911091	572041591	/nfs/dbraw/zinc/04/15/91/572041591.db2.gz	LXIYWGJXOAEIKI-SNVBAGLBSA-N	0	0	182.307	3.428	10	0		AGAERN
CCCC[C@@H](C)[C@H](O)Cc1ccco1	300910313	572041797	/nfs/dbraw/zinc/04/17/97/572041797.db2.gz	JWRKSRPFNNJERZ-ZYHUDNBSSA-N	0	0	196.290	3.009	10	0		AGAERN
CC(C)(C)CCC[C@@H](O)CC1CC1	300914106	572042110	/nfs/dbraw/zinc/04/21/10/572042110.db2.gz	SKUKKEUYWVKROC-LLVKDONJSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCCCCNc1cncc(F)c1	300908970	572042127	/nfs/dbraw/zinc/04/21/27/572042127.db2.gz	DZQQLYWPLOTAFB-UHFFFAOYSA-N	0	0	196.269	3.213	10	0		AGAERN
CCSCCCn1c(C)ccc1C	300911363	572042302	/nfs/dbraw/zinc/04/23/02/572042302.db2.gz	KADIVWDKMNXGKL-UHFFFAOYSA-N	0	0	197.347	3.248	10	0		AGAERN
CCCC[C@@H](C)[C@@H](O)Cc1ccco1	300910311	572042316	/nfs/dbraw/zinc/04/23/16/572042316.db2.gz	JWRKSRPFNNJERZ-PWSUYJOCSA-N	0	0	196.290	3.009	10	0		AGAERN
CCCC[C@H](C)[C@]1(O)[C@H]2CCCC[C@H]21	300910388	572042442	/nfs/dbraw/zinc/04/24/42/572042442.db2.gz	JYAXQQUNSUVHMB-RVMXOQNASA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)C[C@H](C)CC(=O)C1(C)CC1	300911090	572042542	/nfs/dbraw/zinc/04/25/42/572042542.db2.gz	LXIYWGJXOAEIKI-JTQLQIEISA-N	0	0	182.307	3.428	10	0		AGAERN
CCCC[C@H](C)[C@H](O)Cc1ccco1	300909405	572043211	/nfs/dbraw/zinc/04/32/11/572043211.db2.gz	JWRKSRPFNNJERZ-CMPLNLGQSA-N	0	0	196.290	3.009	10	0		AGAERN
CC(C)(C)CCC[C@H](O)CC1CC1	300914107	572043249	/nfs/dbraw/zinc/04/32/49/572043249.db2.gz	SKUKKEUYWVKROC-NSHDSACASA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)C[C@H](C)[C@@H](O)CCC1CC1	300909372	572043350	/nfs/dbraw/zinc/04/33/50/572043350.db2.gz	LRUCVJMIWOTTQQ-JQWIXIFHSA-N	0	0	184.323	3.220	10	0		AGAERN
CCCC[C@@H](C)[C@]1(O)[C@H]2CCCC[C@H]21	300910384	572043584	/nfs/dbraw/zinc/04/35/84/572043584.db2.gz	JYAXQQUNSUVHMB-FVCCEPFGSA-N	0	0	196.334	3.364	10	0		AGAERN
CCCC[C@H](O)c1ccc(C)cc1	36156341	572044690	/nfs/dbraw/zinc/04/46/90/572044690.db2.gz	BAHVSNRQBUCEGZ-LBPRGKRZSA-N	0	0	178.275	3.219	10	0		AGAERN
C/C=C(\CC)CC[C@@H](C)CCO	33953749	572044234	/nfs/dbraw/zinc/04/42/34/572044234.db2.gz	GTLKSTALFRGBQG-CGGZTBSLSA-N	0	0	170.296	3.141	10	0		AGAERN
CC1=C(/C=C/[C@H](C)O)C(C)(C)CC=C1	33951082	572044389	/nfs/dbraw/zinc/04/43/89/572044389.db2.gz	SJICFWRZYCWFOK-AEZGRPFRSA-N	0	0	192.302	3.226	10	0		AGAERN
CCc1cscc1C(C)C	33952132	572044438	/nfs/dbraw/zinc/04/44/38/572044438.db2.gz	NIAMEMJAWKNOMW-UHFFFAOYSA-N	0	0	154.278	3.434	10	0		AGAERN
CSCCCCCCn1cccc1	235062403	572044490	/nfs/dbraw/zinc/04/44/90/572044490.db2.gz	NNFVKZYWFJQCDX-UHFFFAOYSA-N	0	0	197.347	3.412	10	0		AGAERN
CCCCCc1cc[nH]c1C	33902841	572044524	/nfs/dbraw/zinc/04/45/24/572044524.db2.gz	PEWCJTLDYTZPGN-UHFFFAOYSA-N	0	0	151.253	3.056	10	0	in-vitro	AGAERN
C[C@@H](C(=O)CC1CC1)c1ccccc1	235063157	572044581	/nfs/dbraw/zinc/04/45/81/572044581.db2.gz	NOELBTQHRHXDKH-SNVBAGLBSA-N	0	0	188.270	3.159	10	0		AGAERN
CC1=CC[C@H](C/C=C/[C@H](C)O)C1(C)C	33953791	572044582	/nfs/dbraw/zinc/04/45/82/572044582.db2.gz	URNLHHLCLTVYHH-WTIVYXKASA-N	0	0	194.318	3.306	10	0		AGAERN
CC[C@H]1CCCC[C@H]1C1(O)CC(C)C1	234036700	572044757	/nfs/dbraw/zinc/04/47/57/572044757.db2.gz	DZCLXECXBWIEQA-CMOBGSAGSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1=CC[C@@H](C/C=C/[C@H](C)O)C1(C)C	33953792	572044769	/nfs/dbraw/zinc/04/47/69/572044769.db2.gz	URNLHHLCLTVYHH-CYLBZQBVSA-N	0	0	194.318	3.306	10	0		AGAERN
Oc1cccc2c1[C@@H]1CCCC[C@@H]21	207174683	572045231	/nfs/dbraw/zinc/04/52/31/572045231.db2.gz	LHKMENBIIKZZPO-RKDXNWHRSA-N	0	0	174.243	3.147	10	0		AGAERN
CCc1csc(C(C)C)c1	33952134	572045438	/nfs/dbraw/zinc/04/54/38/572045438.db2.gz	KSVDMUKXJJFODK-UHFFFAOYSA-N	0	0	154.278	3.434	10	0		AGAERN
Oc1cccc2c1[C@@H]1CCCC[C@H]21	207174639	572046153	/nfs/dbraw/zinc/04/61/53/572046153.db2.gz	LHKMENBIIKZZPO-DTWKUNHWSA-N	0	0	174.243	3.147	10	0		AGAERN
CCc1ccc(C(C)C)s1	33952119	572046191	/nfs/dbraw/zinc/04/61/91/572046191.db2.gz	YLTHLVWXCRJFBY-UHFFFAOYSA-N	0	0	154.278	3.434	10	0		AGAERN
CCCc1sccc1C	33952137	572046246	/nfs/dbraw/zinc/04/62/46/572046246.db2.gz	DCKYIWMXHZAWSW-UHFFFAOYSA-N	0	0	140.251	3.009	10	0		AGAERN
Cc1cc(OC(C)C)c(C)c(C)c1O	71456465	572046592	/nfs/dbraw/zinc/04/65/92/572046592.db2.gz	HZXYLKYEJXFJGY-UHFFFAOYSA-N	0	0	194.274	3.105	10	0		AGAERN
CC[C@@H]1C[C@@H]1C(=O)C[C@@H]1CC=CCC1	402217132	572046694	/nfs/dbraw/zinc/04/66/94/572046694.db2.gz	OYRURVMAWFJFEL-UTUOFQBUSA-N	0	0	192.302	3.348	10	0		AGAERN
CC[C@@H]1C[C@@H]1C(=O)C[C@H]1CC=CCC1	402217131	572046774	/nfs/dbraw/zinc/04/67/74/572046774.db2.gz	OYRURVMAWFJFEL-TUAOUCFPSA-N	0	0	192.302	3.348	10	0		AGAERN
CCC1=CCCC[C@@H]1Cc1c[nH]cn1	34016998	572047277	/nfs/dbraw/zinc/04/72/77/572047277.db2.gz	PXONJBGVHDCAEL-LLVKDONJSA-N	0	0	190.290	3.089	10	0		AGAERN
Cc1cc(C=O)cc(C(C)(C)C)c1	33992223	572047230	/nfs/dbraw/zinc/04/72/30/572047230.db2.gz	WCNXSMHSMCFBHV-UHFFFAOYSA-N	0	0	176.259	3.105	10	0		AGAERN
CCOc1cc(C)c(O)cc1C(C)C	71456061	572047455	/nfs/dbraw/zinc/04/74/55/572047455.db2.gz	GCVFDINDVJWKRK-UHFFFAOYSA-N	0	0	194.274	3.223	10	0		AGAERN
CCC1=CCCC[C@H]1Cc1c[nH]cn1	34016999	572048067	/nfs/dbraw/zinc/04/80/67/572048067.db2.gz	PXONJBGVHDCAEL-NSHDSACASA-N	0	0	190.290	3.089	10	0		AGAERN
c1ccc2c(c1)SCc1cccn1-2	33986060	572048079	/nfs/dbraw/zinc/04/80/79/572048079.db2.gz	XMFVLRPTVSHFIZ-UHFFFAOYSA-N	0	0	187.267	3.083	10	0		AGAERN
CCC(=O)O[C@@H]1CCC[C@@H](C(C)C)C1	33986305	572048269	/nfs/dbraw/zinc/04/82/69/572048269.db2.gz	IJUBYICGZOWVOM-GHMZBOCLSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)(C)Oc1ccc(F)cc1	33975223	572048329	/nfs/dbraw/zinc/04/83/29/572048329.db2.gz	JFMCEYRRODNRTF-UHFFFAOYSA-N	0	0	168.211	3.003	10	0		AGAERN
c1csc([C@@H]2CCCS2)c1	34128208	572057351	/nfs/dbraw/zinc/05/73/51/572057351.db2.gz	TWNKZDICIBWALM-QMMMGPOBSA-N	0	0	170.302	3.316	10	0		AGAERN
CC[C@](O)(CCCC(F)F)C(C)C	687887693	572050007	/nfs/dbraw/zinc/05/00/07/572050007.db2.gz	AVVUMSBMDDPPDL-JTQLQIEISA-N	0	0	194.265	3.219	10	0		AGAERN
CCC[C@H](C)C[C@H](O)[C@@H](C)CC	82561701	572049154	/nfs/dbraw/zinc/04/91/54/572049154.db2.gz	KFRPRHQVKQTVGX-DCAQKATOSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@@H](C)[C@H](O)CCc1ccccc1	82561736	572049224	/nfs/dbraw/zinc/04/92/24/572049224.db2.gz	KGQCWRVBQARKJX-DGCLKSJQSA-N	0	0	192.302	3.026	10	0		AGAERN
CC[C@H](C)[C@@H](O)CC1CCCCC1	82561667	572049358	/nfs/dbraw/zinc/04/93/58/572049358.db2.gz	QFMVATSRXVYLFD-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)[C@@H](O)CCc1ccccc1	82561739	572049424	/nfs/dbraw/zinc/04/94/24/572049424.db2.gz	KGQCWRVBQARKJX-AAEUAGOBSA-N	0	0	192.302	3.026	10	0		AGAERN
CC[C@@H](C)CC(=O)[C@H](C)CC	82561326	572049432	/nfs/dbraw/zinc/04/94/32/572049432.db2.gz	ULZRGXGFTLSVAD-RKDXNWHRSA-N	0	0	156.269	3.038	10	0		AGAERN
CC[C@@H](C)[C@@H](O)CCc1ccccc1	82561738	572049484	/nfs/dbraw/zinc/04/94/84/572049484.db2.gz	KGQCWRVBQARKJX-YPMHNXCESA-N	0	0	192.302	3.026	10	0		AGAERN
CC[C@@H](C)[C@@H](O)CC1CCCCC1	82561666	572049489	/nfs/dbraw/zinc/04/94/89/572049489.db2.gz	QFMVATSRXVYLFD-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)[C@H](O)CC1CCCCC1	82561665	572049501	/nfs/dbraw/zinc/04/95/01/572049501.db2.gz	QFMVATSRXVYLFD-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)[C@@H]1CCC(C)(C)C(=O)C1	34060675	572049620	/nfs/dbraw/zinc/04/96/20/572049620.db2.gz	HRRITTQTMAFMKK-SECBINFHSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCC[C@H](C)Nc1cncc(F)c1	300918122	572049640	/nfs/dbraw/zinc/04/96/40/572049640.db2.gz	GLJABJYEKKBMFL-VIFPVBQESA-N	0	0	196.269	3.211	10	0		AGAERN
CC[C@@H](C)[C@H](O)CCC(C)(C)C	82561448	572049651	/nfs/dbraw/zinc/04/96/51/572049651.db2.gz	GXRQIQQRLHONJP-NXEZZACHSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@H](C)CC(=O)[C@H](C)CC	82561327	572049660	/nfs/dbraw/zinc/04/96/60/572049660.db2.gz	ULZRGXGFTLSVAD-DTWKUNHWSA-N	0	0	156.269	3.038	10	0		AGAERN
CC[C@H](C)[C@H](O)CCC(C)(C)C	82561449	572049746	/nfs/dbraw/zinc/04/97/46/572049746.db2.gz	GXRQIQQRLHONJP-VHSXEESVSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@@H](C)C(=O)CCC(C)(C)C	82561296	572049755	/nfs/dbraw/zinc/04/97/55/572049755.db2.gz	RZXHWOYWJRFVIP-SECBINFHSA-N	0	0	170.296	3.428	10	0		AGAERN
CC[C@H](C)C(=O)CCC(C)C	82561329	572049778	/nfs/dbraw/zinc/04/97/78/572049778.db2.gz	YFPVXVIKCMZNFR-VIFPVBQESA-N	0	0	156.269	3.038	10	0		AGAERN
CC[C@@H](C)C(=O)CCC(C)C	82561328	572049915	/nfs/dbraw/zinc/04/99/15/572049915.db2.gz	YFPVXVIKCMZNFR-SECBINFHSA-N	0	0	156.269	3.038	10	0		AGAERN
CCc1nc2cc(Cl)ccc2o1	34060909	572049945	/nfs/dbraw/zinc/04/99/45/572049945.db2.gz	ZWRBUNUGSHLYTK-UHFFFAOYSA-N	0	0	181.622	3.044	10	0		AGAERN
CC[C@@H](C)[C@H](O)CC1CCCCC1	82561664	572050222	/nfs/dbraw/zinc/05/02/22/572050222.db2.gz	QFMVATSRXVYLFD-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)C(=O)CCC(C)(C)C	82561297	572050251	/nfs/dbraw/zinc/05/02/51/572050251.db2.gz	RZXHWOYWJRFVIP-VIFPVBQESA-N	0	0	170.296	3.428	10	0		AGAERN
CCC[C@@H](C)CC(=O)[C@@H](C)CC	82561320	572050293	/nfs/dbraw/zinc/05/02/93/572050293.db2.gz	HLIQDAUJGIYICA-ZJUUUORDSA-N	0	0	170.296	3.428	10	0		AGAERN
CC[C@H](C)[C@@H](O)CCC(C)(C)C	82561451	572050422	/nfs/dbraw/zinc/05/04/22/572050422.db2.gz	GXRQIQQRLHONJP-UWVGGRQHSA-N	0	0	172.312	3.220	10	0		AGAERN
Cc1ccc2c(c1)CCC(C)(C)N2	34070910	572050425	/nfs/dbraw/zinc/05/04/25/572050425.db2.gz	AMJARLDAUOFRBE-UHFFFAOYSA-N	0	0	175.275	3.132	10	0		AGAERN
CC[C@H](C)CC(=O)[C@@H](C)CC	82561325	572050546	/nfs/dbraw/zinc/05/05/46/572050546.db2.gz	ULZRGXGFTLSVAD-IUCAKERBSA-N	0	0	156.269	3.038	10	0		AGAERN
CCC[C@@H](C)CC(=O)[C@H](C)CC	82561322	572050550	/nfs/dbraw/zinc/05/05/50/572050550.db2.gz	HLIQDAUJGIYICA-NXEZZACHSA-N	0	0	170.296	3.428	10	0		AGAERN
CCC[C@@H](C)C[C@@H](O)[C@@H](C)CC	82561702	572050623	/nfs/dbraw/zinc/05/06/23/572050623.db2.gz	KFRPRHQVKQTVGX-OUAUKWLOSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@@](O)(CCCC(F)F)C(C)C	687887694	572050627	/nfs/dbraw/zinc/05/06/27/572050627.db2.gz	AVVUMSBMDDPPDL-SNVBAGLBSA-N	0	0	194.265	3.219	10	0		AGAERN
CC1=CC[C@]2(C)CCC(=O)C[C@]12C	34060856	572050645	/nfs/dbraw/zinc/05/06/45/572050645.db2.gz	HUSLPZBSIGQOOP-VXGBXAGGSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@@H](C)[C@@H](O)CCC(C)(C)C	82561450	572050707	/nfs/dbraw/zinc/05/07/07/572050707.db2.gz	GXRQIQQRLHONJP-ZJUUUORDSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@H](C)[C@H](O)CCc1ccccc1	82561737	572050712	/nfs/dbraw/zinc/05/07/12/572050712.db2.gz	KGQCWRVBQARKJX-WCQYABFASA-N	0	0	192.302	3.026	10	0		AGAERN
CC(C)C[C@@](C)(O)CCCC(F)F	687887616	572050716	/nfs/dbraw/zinc/05/07/16/572050716.db2.gz	ADPSVSIWIJJHMJ-JTQLQIEISA-N	0	0	194.265	3.219	10	0		AGAERN
CCC[C@H](C)C[C@@H](O)[C@@H](C)CC	82561703	572050717	/nfs/dbraw/zinc/05/07/17/572050717.db2.gz	KFRPRHQVKQTVGX-GARJFASQSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@@H](C)C[C@H](O)[C@@H](C)CC	82561700	572050782	/nfs/dbraw/zinc/05/07/82/572050782.db2.gz	KFRPRHQVKQTVGX-VWYCJHECSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCC[C@@H](C)Nc1cncc(F)c1	300918120	572050783	/nfs/dbraw/zinc/05/07/83/572050783.db2.gz	GLJABJYEKKBMFL-SECBINFHSA-N	0	0	196.269	3.211	10	0		AGAERN
CCCCC(C=O)CC	206584041	572050820	/nfs/dbraw/zinc/05/08/20/572050820.db2.gz	MMELVRLTDGKXGU-FPLPWBNLSA-N	0	0	128.215	3.029	10	0		AGAERN
CC(C)(C)C(=O)C[C@@H]1CC=CCC1	402223135	572050882	/nfs/dbraw/zinc/05/08/82/572050882.db2.gz	VAHCNQYUQNRPOU-SNVBAGLBSA-N	0	0	180.291	3.348	10	0		AGAERN
CC(C)C[C@](C)(O)CCCC(F)F	687887617	572050895	/nfs/dbraw/zinc/05/08/95/572050895.db2.gz	ADPSVSIWIJJHMJ-SNVBAGLBSA-N	0	0	194.265	3.219	10	0		AGAERN
CCC[C@H](C)CC(=O)[C@@H](C)CC	82561321	572050919	/nfs/dbraw/zinc/05/09/19/572050919.db2.gz	HLIQDAUJGIYICA-UWVGGRQHSA-N	0	0	170.296	3.428	10	0		AGAERN
CCC[C@H](C)CC(=O)[C@H](C)CC	82561323	572051044	/nfs/dbraw/zinc/05/10/44/572051044.db2.gz	HLIQDAUJGIYICA-VHSXEESVSA-N	0	0	170.296	3.428	10	0		AGAERN
CC[C@H](C)C(=O)C[C@H](C)CC	82561324	572051048	/nfs/dbraw/zinc/05/10/48/572051048.db2.gz	ULZRGXGFTLSVAD-BDAKNGLRSA-N	0	0	156.269	3.038	10	0		AGAERN
Cc1cc(C)c(C(C)C)c(O)c1	34064504	572051350	/nfs/dbraw/zinc/05/13/50/572051350.db2.gz	AXWIKVJVPDHROL-UHFFFAOYSA-N	0	0	164.248	3.132	10	0		AGAERN
CC(C)(C)C(=O)C[C@H]1CC=CCC1	402223134	572051167	/nfs/dbraw/zinc/05/11/67/572051167.db2.gz	VAHCNQYUQNRPOU-JTQLQIEISA-N	0	0	180.291	3.348	10	0		AGAERN
CC[C@@H](C)C(=O)CC1CCCC1	82561354	572051235	/nfs/dbraw/zinc/05/12/35/572051235.db2.gz	MCLZCBBGVFEOEK-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@H](C)C(=O)CC1CCCC1	82561355	572051232	/nfs/dbraw/zinc/05/12/32/572051232.db2.gz	MCLZCBBGVFEOEK-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@]1(O)CCCCc2ccccc21	34061130	572051301	/nfs/dbraw/zinc/05/13/01/572051301.db2.gz	CAKCGLKEOIBCAF-ZDUSSCGKSA-N	0	0	190.286	3.011	10	0		AGAERN
CCCC[C@H](CC)C(=O)c1ccc[nH]1	82564040	572051653	/nfs/dbraw/zinc/05/16/53/572051653.db2.gz	DLRQDCJCOHSDKC-JTQLQIEISA-N	0	0	193.290	3.414	10	0		AGAERN
CCCC[C@H](CC)[C@H](O)c1cc[nH]c1	82564636	572051657	/nfs/dbraw/zinc/05/16/57/572051657.db2.gz	JOUATTBGYAVWDL-JQWIXIFHSA-N	0	0	195.306	3.265	10	0		AGAERN
CC1=C[C@H](C)[C@]2(CC1)CC[C@@H](C)[C@H]2O	34076338	572051708	/nfs/dbraw/zinc/05/17/08/572051708.db2.gz	CJIGFNFSNWVLEG-XQHKEYJVSA-N	0	0	194.318	3.140	10	0		AGAERN
CC(C)[C@H](O)CC[C@@H]1CC=CCC1	402208918	572051735	/nfs/dbraw/zinc/05/17/35/572051735.db2.gz	LPBLBWSQJFPOLY-VXGBXAGGSA-N	0	0	182.307	3.140	10	0		AGAERN
O=C(CCC1CCCC1)c1cc[nH]c1	82564235	572051756	/nfs/dbraw/zinc/05/17/56/572051756.db2.gz	PGUTVPXUUMWVAP-UHFFFAOYSA-N	0	0	191.274	3.168	10	0		AGAERN
CC1(C)C[C@@H]1[C@H](O)C[C@@H]1CC=CCC1	402210091	572051772	/nfs/dbraw/zinc/05/17/72/572051772.db2.gz	MANKQMVLCHHCFU-IJLUTSLNSA-N	0	0	194.318	3.140	10	0		AGAERN
CC(C)[C@H](O)CC[C@H]1CC=CCC1	402208916	572052329	/nfs/dbraw/zinc/05/23/29/572052329.db2.gz	LPBLBWSQJFPOLY-NWDGAFQWSA-N	0	0	182.307	3.140	10	0		AGAERN
CCCOc1ccc(C)cc1NCC	71451497	572051908	/nfs/dbraw/zinc/05/19/08/572051908.db2.gz	HAUHTRQEQJOPRU-UHFFFAOYSA-N	0	0	193.290	3.216	10	0		AGAERN
CCCC[C@H](CC)[C@H](O)c1ccc[nH]1	82564344	572052193	/nfs/dbraw/zinc/05/21/93/572052193.db2.gz	AQWZDTJAOYUGDJ-JQWIXIFHSA-N	0	0	195.306	3.265	10	0		AGAERN
CC[C@@H]1CCCCC[C@]1(O)CC	149752513	572052316	/nfs/dbraw/zinc/05/23/16/572052316.db2.gz	IBQSRDXOHCRFNV-GHMZBOCLSA-N	0	0	170.296	3.118	10	0		AGAERN
CC1=C[C@H](C)[C@]2(CC1)CC[C@H](C)[C@H]2O	34076339	572052377	/nfs/dbraw/zinc/05/23/77/572052377.db2.gz	CJIGFNFSNWVLEG-RVMXOQNASA-N	0	0	194.318	3.140	10	0		AGAERN
O[C@@H](CCC1CCCC1)c1ccc[nH]1	82564320	572052427	/nfs/dbraw/zinc/05/24/27/572052427.db2.gz	BYFKXWDQAPWBDL-LBPRGKRZSA-N	0	0	193.290	3.019	10	0		AGAERN
CCCC[C@@H](CC)[C@H](O)c1cc[nH]c1	82564635	572052491	/nfs/dbraw/zinc/05/24/91/572052491.db2.gz	JOUATTBGYAVWDL-PWSUYJOCSA-N	0	0	195.306	3.265	10	0		AGAERN
CCCC[C@H](CC)C(=O)c1cc[nH]c1	82564180	572052536	/nfs/dbraw/zinc/05/25/36/572052536.db2.gz	MBBHQIKLVVZPFU-JTQLQIEISA-N	0	0	193.290	3.414	10	0		AGAERN
O=C1CCCCCC12CCCC2	34075722	572052731	/nfs/dbraw/zinc/05/27/31/572052731.db2.gz	UHXKIQDOEWEHIO-UHFFFAOYSA-N	0	0	166.264	3.080	10	0		AGAERN
CCSc1ccc([C@H](O)CC)cc1	71453254	572053101	/nfs/dbraw/zinc/05/31/01/572053101.db2.gz	KAEADTKYQJQRBZ-LLVKDONJSA-N	0	0	196.315	3.242	10	0		AGAERN
CCCOc1ccc(NCC)c(C)c1	71453451	572053103	/nfs/dbraw/zinc/05/31/03/572053103.db2.gz	MJBJNETZZUIERE-UHFFFAOYSA-N	0	0	193.290	3.216	10	0		AGAERN
O[C@@H](CCC1CCCC1)c1cc[nH]c1	82564612	572053173	/nfs/dbraw/zinc/05/31/73/572053173.db2.gz	BRIAPRPTZLPTFG-LBPRGKRZSA-N	0	0	193.290	3.019	10	0		AGAERN
CCCC[C@@H](CC)C(=O)c1ccc[nH]1	82564039	572053284	/nfs/dbraw/zinc/05/32/84/572053284.db2.gz	DLRQDCJCOHSDKC-SNVBAGLBSA-N	0	0	193.290	3.414	10	0		AGAERN
CC1(C)C[C@@H]1[C@@H](O)C[C@@H]1CC=CCC1	402210094	572053295	/nfs/dbraw/zinc/05/32/95/572053295.db2.gz	MANKQMVLCHHCFU-UTUOFQBUSA-N	0	0	194.318	3.140	10	0		AGAERN
CCCC[C@H](CC)[C@@H](O)c1cc[nH]c1	82564638	572053321	/nfs/dbraw/zinc/05/33/21/572053321.db2.gz	JOUATTBGYAVWDL-CMPLNLGQSA-N	0	0	195.306	3.265	10	0		AGAERN
O=C(CCC1CCCC1)c1ccc[nH]1	82564114	572053367	/nfs/dbraw/zinc/05/33/67/572053367.db2.gz	FSVASXPUQBABRK-UHFFFAOYSA-N	0	0	191.274	3.168	10	0		AGAERN
CC1(C)C[C@@H]1[C@@H](O)C[C@H]1CC=CCC1	402210093	572053567	/nfs/dbraw/zinc/05/35/67/572053567.db2.gz	MANKQMVLCHHCFU-TUAOUCFPSA-N	0	0	194.318	3.140	10	0		AGAERN
O[C@H](CCC1CCCC1)c1ccc[nH]1	82564319	572053654	/nfs/dbraw/zinc/05/36/54/572053654.db2.gz	BYFKXWDQAPWBDL-GFCCVEGCSA-N	0	0	193.290	3.019	10	0		AGAERN
O[C@H](CCC1CCCC1)c1cc[nH]c1	82564611	572053656	/nfs/dbraw/zinc/05/36/56/572053656.db2.gz	BRIAPRPTZLPTFG-GFCCVEGCSA-N	0	0	193.290	3.019	10	0		AGAERN
CC(C)[C@@H](O)CC[C@H]1CC=CCC1	402208917	572053792	/nfs/dbraw/zinc/05/37/92/572053792.db2.gz	LPBLBWSQJFPOLY-RYUDHWBXSA-N	0	0	182.307	3.140	10	0		AGAERN
CC1(C)C[C@@H]1[C@H](O)C[C@H]1CC=CCC1	402210092	572053811	/nfs/dbraw/zinc/05/38/11/572053811.db2.gz	MANKQMVLCHHCFU-QJPTWQEYSA-N	0	0	194.318	3.140	10	0		AGAERN
CCCC[C@@H](CC)C(=O)c1cc[nH]c1	82564179	572053886	/nfs/dbraw/zinc/05/38/86/572053886.db2.gz	MBBHQIKLVVZPFU-SNVBAGLBSA-N	0	0	193.290	3.414	10	0		AGAERN
CCCOc1ccc(O)cc1C(C)C	71452648	572053889	/nfs/dbraw/zinc/05/38/89/572053889.db2.gz	UKSGSKAMAZGGLW-UHFFFAOYSA-N	0	0	194.274	3.304	10	0		AGAERN
CCCC[C@@H](CC)[C@@H](O)c1cc[nH]c1	82564637	572053959	/nfs/dbraw/zinc/05/39/59/572053959.db2.gz	JOUATTBGYAVWDL-ZYHUDNBSSA-N	0	0	195.306	3.265	10	0		AGAERN
CCCC[C@@H](CC)[C@@H](O)c1ccc[nH]1	82564345	572054063	/nfs/dbraw/zinc/05/40/63/572054063.db2.gz	AQWZDTJAOYUGDJ-ZYHUDNBSSA-N	0	0	195.306	3.265	10	0		AGAERN
CC(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1	34111861	572054143	/nfs/dbraw/zinc/05/41/43/572054143.db2.gz	TUSXYELJXYDQHV-VXGBXAGGSA-N	0	0	188.270	3.015	10	0		AGAERN
COc1cccc2c1[C@@H](C)CCCN2	219756718	572054186	/nfs/dbraw/zinc/05/41/86/572054186.db2.gz	QJLCNJJZCUTZQL-VIFPVBQESA-N	0	0	191.274	3.004	10	0		AGAERN
CCCC[C@H](CC)[C@@H](O)c1ccc[nH]1	82564346	572054227	/nfs/dbraw/zinc/05/42/27/572054227.db2.gz	AQWZDTJAOYUGDJ-CMPLNLGQSA-N	0	0	195.306	3.265	10	0		AGAERN
c1ccc2c(c1)ncc1cscc12	34109213	572054360	/nfs/dbraw/zinc/05/43/60/572054360.db2.gz	DBHSBMJNFOUCFP-UHFFFAOYSA-N	0	0	185.251	3.450	10	0		AGAERN
c1ccc2cc3cc[nH]c3c-2cc1	34102148	572054411	/nfs/dbraw/zinc/05/44/11/572054411.db2.gz	WRFYHGCKOQEJJZ-UHFFFAOYSA-N	0	0	167.211	3.273	10	0		AGAERN
CC(C)C(=O)[C@@H]1C[C@H]1c1ccccc1	34111863	572054487	/nfs/dbraw/zinc/05/44/87/572054487.db2.gz	TUSXYELJXYDQHV-NWDGAFQWSA-N	0	0	188.270	3.015	10	0		AGAERN
CC[C@H](C)c1c(C)cccc1O	34091877	572054640	/nfs/dbraw/zinc/05/46/40/572054640.db2.gz	HJTYTQMDURMEKI-QMMMGPOBSA-N	0	0	164.248	3.214	10	0		AGAERN
CSc1cc(C)cc(SC)c1N	34109747	572054819	/nfs/dbraw/zinc/05/48/19/572054819.db2.gz	BTIMRSPALZJULR-UHFFFAOYSA-N	0	0	199.344	3.021	10	0		AGAERN
CC[C@H](C)[C@@](C)(O)CCCC(F)F	687889053	572054970	/nfs/dbraw/zinc/05/49/70/572054970.db2.gz	HJHXJRCMGSKECD-WPRPVWTQSA-N	0	0	194.265	3.219	10	0		AGAERN
CC(C)C(=O)[C@H]1C[C@@H]1c1ccccc1	34111862	572055031	/nfs/dbraw/zinc/05/50/31/572055031.db2.gz	TUSXYELJXYDQHV-NEPJUHHUSA-N	0	0	188.270	3.015	10	0		AGAERN
c1ccc(-c2cccc3[nH]cnc23)cc1	34091469	572055355	/nfs/dbraw/zinc/05/53/55/572055355.db2.gz	DTWJJSICXFENKC-UHFFFAOYSA-N	0	0	194.237	3.230	10	0		AGAERN
CCCC[C@@H]1CNc2ccccc21	34112174	572055369	/nfs/dbraw/zinc/05/53/69/572055369.db2.gz	LALRFEQBOIQRND-SNVBAGLBSA-N	0	0	175.275	3.386	10	0		AGAERN
CNc1c(C)ccc(C)c1OC(C)C	71457283	572055448	/nfs/dbraw/zinc/05/54/48/572055448.db2.gz	UWXRPTISBHSSEZ-UHFFFAOYSA-N	0	0	193.290	3.132	10	0		AGAERN
Cc1ccc(O)c(C2CCCC2)c1	34108120	572056014	/nfs/dbraw/zinc/05/60/14/572056014.db2.gz	KDHONNUUDHJCID-UHFFFAOYSA-N	0	0	176.259	3.358	10	0		AGAERN
Cc1ccc2c(c1)sc(=S)n2C	34113835	572056133	/nfs/dbraw/zinc/05/61/33/572056133.db2.gz	IOONUZCTABILRW-UHFFFAOYSA-N	0	0	195.312	3.278	10	0		AGAERN
CC(C)=Cc1cc(C)ccc1O	196447649	572056461	/nfs/dbraw/zinc/05/64/61/572056461.db2.gz	GHYZBXJRLBHDJT-UHFFFAOYSA-N	0	0	162.232	3.124	10	0		AGAERN
COc1cccc2c1[C@H](C)CCCN2	219756646	572056484	/nfs/dbraw/zinc/05/64/84/572056484.db2.gz	QJLCNJJZCUTZQL-SECBINFHSA-N	0	0	191.274	3.004	10	0		AGAERN
c1csc([C@H]2CCCS2)c1	34128210	572056864	/nfs/dbraw/zinc/05/68/64/572056864.db2.gz	TWNKZDICIBWALM-MRVPVSSYSA-N	0	0	170.302	3.316	10	0		AGAERN
OC1(C2=CCCCC2)CCCCC1	34122134	572057318	/nfs/dbraw/zinc/05/73/18/572057318.db2.gz	HSIBGCVAGMOTCN-UHFFFAOYSA-N	0	0	180.291	3.182	10	0		AGAERN
CC(C)c1cc2c(ccn2C)cc1O	34115907	572057439	/nfs/dbraw/zinc/05/74/39/572057439.db2.gz	RWVZCFUQLCKOJO-UHFFFAOYSA-N	0	0	189.258	3.007	10	0		AGAERN
CNc1cc(C)cc(C)c1OC(C)C	71463678	572057579	/nfs/dbraw/zinc/05/75/79/572057579.db2.gz	JNYDNCMRIIWUPI-UHFFFAOYSA-N	0	0	193.290	3.132	10	0		AGAERN
CCNc1ccc(OCC)cc1CC	71463348	572057693	/nfs/dbraw/zinc/05/76/93/572057693.db2.gz	HDXCAWQVHYCLHQ-UHFFFAOYSA-N	0	0	193.290	3.080	10	0		AGAERN
Cc1cc2ccccc2c(O)c1C	34129120	572057734	/nfs/dbraw/zinc/05/77/34/572057734.db2.gz	QXHLMWWPSWWKOK-UHFFFAOYSA-N	0	0	172.227	3.162	10	0		AGAERN
c1ccc([C@@H]2CCCCS2)nc1	34133298	572057748	/nfs/dbraw/zinc/05/77/48/572057748.db2.gz	VPKBTDAXPNJXMI-JTQLQIEISA-N	0	0	179.288	3.040	10	0		AGAERN
CCNc1ccc(OCC)cc1Cl	71463792	572057905	/nfs/dbraw/zinc/05/79/05/572057905.db2.gz	QWMCSOQNMPLESO-UHFFFAOYSA-N	0	0	199.681	3.171	10	0		AGAERN
CC(C)c1[nH]c(=S)n(C)c1C(C)C	34116151	572057948	/nfs/dbraw/zinc/05/79/48/572057948.db2.gz	FTQUDFQREPRMJJ-UHFFFAOYSA-N	0	0	198.335	3.329	10	0		AGAERN
CCNc1cc(C)cc(C)c1OCC	71463625	572058402	/nfs/dbraw/zinc/05/84/02/572058402.db2.gz	SIKBBNMDVGINEH-UHFFFAOYSA-N	0	0	193.290	3.134	10	0		AGAERN
CCCOc1ccc(F)cc1NCC	71464859	572058182	/nfs/dbraw/zinc/05/81/82/572058182.db2.gz	VCGWXZKYCBQVRV-UHFFFAOYSA-N	0	0	197.253	3.046	10	0		AGAERN
CCCCSCc1cccc(N)c1	36332818	572058249	/nfs/dbraw/zinc/05/82/49/572058249.db2.gz	ODAGJTDKXNKXOL-UHFFFAOYSA-N	0	0	195.331	3.302	10	0		AGAERN
CC(C)(C)C[C@@H]1CCCC[C@H](O)C1	713208129	572058304	/nfs/dbraw/zinc/05/83/04/572058304.db2.gz	DAXDNTBABXVPIU-MNOVXSKESA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1cc(-c2ccccc2)[nH]c1C	34139771	572058399	/nfs/dbraw/zinc/05/83/99/572058399.db2.gz	PKPJXOXKUCDZOD-UHFFFAOYSA-N	0	0	171.243	3.299	10	0		AGAERN
C[C@H](c1ccccc1)c1ccccn1	36438257	572058716	/nfs/dbraw/zinc/05/87/16/572058716.db2.gz	ZFZPQOVKSLKIKI-LLVKDONJSA-N	0	0	183.254	3.233	10	0		AGAERN
CCNc1cc(CC)ccc1OCC	71463986	572058885	/nfs/dbraw/zinc/05/88/85/572058885.db2.gz	PQQRKQJUDHRKDX-UHFFFAOYSA-N	0	0	193.290	3.080	10	0		AGAERN
CCCOc1c(C)cc(C)cc1NC	71463716	572058934	/nfs/dbraw/zinc/05/89/34/572058934.db2.gz	ILMNZCOVXCKXGR-UHFFFAOYSA-N	0	0	193.290	3.134	10	0		AGAERN
CC(C)(C)CCC[C@H]1CCC[C@H]1O	300923036	572059028	/nfs/dbraw/zinc/05/90/28/572059028.db2.gz	UELJKICBCVOCID-GHMZBOCLSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)(C)[C@@H]1N=CNc2ccccc21	196453270	572059029	/nfs/dbraw/zinc/05/90/29/572059029.db2.gz	WCMRJKDJBCGZFD-LLVKDONJSA-N	0	0	188.274	3.228	10	0		AGAERN
CCC(C)(C)CC1=C[C@H](O)CCC1	713208190	572059207	/nfs/dbraw/zinc/05/92/07/572059207.db2.gz	DTPMEOMCGRVHCW-LLVKDONJSA-N	0	0	182.307	3.284	10	0		AGAERN
CCOC(OCC)C1=CCC(C)(C)C1	206630112	572059217	/nfs/dbraw/zinc/05/92/17/572059217.db2.gz	JNCGJHIAEQSFJX-UHFFFAOYSA-N	0	0	198.306	3.132	10	0		AGAERN
C[C@@H]1CC(C)(C)Oc2cc(O)ccc21	34154331	572059253	/nfs/dbraw/zinc/05/92/53/572059253.db2.gz	LEOZGNQCUYQZAQ-MRVPVSSYSA-N	0	0	192.258	3.057	10	0		AGAERN
CC(C)(C)C[C@H]1CCCC[C@@H](O)C1	713208133	572059339	/nfs/dbraw/zinc/05/93/39/572059339.db2.gz	DAXDNTBABXVPIU-WDEREUQCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCc1ccc(O)c(CC)c1CC	34173784	572059370	/nfs/dbraw/zinc/05/93/70/572059370.db2.gz	AFXQOXNRTJFOJV-UHFFFAOYSA-N	0	0	178.275	3.079	10	0		AGAERN
CCCCSCc1ccccc1N	36332833	572059532	/nfs/dbraw/zinc/05/95/32/572059532.db2.gz	GWIHJVBJJCBPAE-UHFFFAOYSA-N	0	0	195.331	3.302	10	0		AGAERN
CNc1cc(C)cc(C(C)(C)C)c1O	71464322	572059557	/nfs/dbraw/zinc/05/95/57/572059557.db2.gz	IQTQRFBKAHOCGW-UHFFFAOYSA-N	0	0	193.290	3.040	10	0		AGAERN
CCCC=C1CCC(C(=O)OC)CC1	687820563	572059709	/nfs/dbraw/zinc/05/97/09/572059709.db2.gz	CJFKVZVBJYOEKM-UHFFFAOYSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC(C)(C)CC1=C[C@@H](O)CCC1	713208191	572059723	/nfs/dbraw/zinc/05/97/23/572059723.db2.gz	DTPMEOMCGRVHCW-NSHDSACASA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)C[C@H](C)C[C@@](C)(CO)C1CC1	300922877	572059727	/nfs/dbraw/zinc/05/97/27/572059727.db2.gz	NADJSVMDAWHDAW-AAEUAGOBSA-N	0	0	198.350	3.467	10	0		AGAERN
CC(C)(c1ccccc1)c1ccc[nH]1	196454022	572059856	/nfs/dbraw/zinc/05/98/56/572059856.db2.gz	YJDZWONFKDVACD-UHFFFAOYSA-N	0	0	185.270	3.341	10	0		AGAERN
CC(C)(C)[C@H]1N=CNc2ccccc21	196453260	572059973	/nfs/dbraw/zinc/05/99/73/572059973.db2.gz	WCMRJKDJBCGZFD-NSHDSACASA-N	0	0	188.274	3.228	10	0		AGAERN
CC(C)(C)C[C@@H]1CCCC[C@@H](O)C1	713208127	572059900	/nfs/dbraw/zinc/05/99/00/572059900.db2.gz	DAXDNTBABXVPIU-GHMZBOCLSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)(C)CCC[C@@H]1CCC[C@@H]1O	300923038	572059977	/nfs/dbraw/zinc/05/99/77/572059977.db2.gz	UELJKICBCVOCID-QWRGUYRKSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H]1CC(C)(C)Oc2cc(O)ccc21	34154333	572060020	/nfs/dbraw/zinc/06/00/20/572060020.db2.gz	LEOZGNQCUYQZAQ-QMMMGPOBSA-N	0	0	192.258	3.057	10	0		AGAERN
CC(C)C[C@@H](C)C[C@@](C)(CO)C1CC1	300922882	572060311	/nfs/dbraw/zinc/06/03/11/572060311.db2.gz	NADJSVMDAWHDAW-YPMHNXCESA-N	0	0	198.350	3.467	10	0		AGAERN
CCCOc1ccc(NC)c(Cl)c1	71463839	572060369	/nfs/dbraw/zinc/06/03/69/572060369.db2.gz	RDKDEUPEGZXTJC-UHFFFAOYSA-N	0	0	199.681	3.171	10	0		AGAERN
CC(C)(C)c1cc(N=O)ccc1O	34157219	572060459	/nfs/dbraw/zinc/06/04/59/572060459.db2.gz	HNNPPFFZPYTJCE-UHFFFAOYSA-N	0	0	179.219	3.088	10	0		AGAERN
CC(C)(C)CCC[C@H]1CCC[C@@H]1O	300923037	572060513	/nfs/dbraw/zinc/06/05/13/572060513.db2.gz	UELJKICBCVOCID-MNOVXSKESA-N	0	0	184.323	3.364	10	0		AGAERN
CCc1ccc(OC(F)(F)F)cc1	34155860	572060554	/nfs/dbraw/zinc/06/05/54/572060554.db2.gz	XVCMGQVQWZFHDZ-UHFFFAOYSA-N	0	0	190.164	3.148	10	0		AGAERN
Cc1c(C)c(O)c2ccccc2c1C	34153780	572060564	/nfs/dbraw/zinc/06/05/64/572060564.db2.gz	JXBLBDSDKTVVSM-UHFFFAOYSA-N	0	0	186.254	3.471	10	0		AGAERN
CC(C)C[C@H](C)C[C@](C)(CO)C1CC1	300922881	572060678	/nfs/dbraw/zinc/06/06/78/572060678.db2.gz	NADJSVMDAWHDAW-WCQYABFASA-N	0	0	198.350	3.467	10	0		AGAERN
O=C1CCCCC[C@@H]2C=CCC[C@H]12	196440432	572060854	/nfs/dbraw/zinc/06/08/54/572060854.db2.gz	ACFUGDNJNJAFGL-MNOVXSKESA-N	0	0	178.275	3.102	10	0		AGAERN
O=C1CC[C@]23CCCCCC[C@]12C3	196440605	572060975	/nfs/dbraw/zinc/06/09/75/572060975.db2.gz	PSARCRDQNKTNFM-RYUDHWBXSA-N	0	0	178.275	3.080	10	0		AGAERN
CCC[C@H](CO)C[C@@H](C)CC(F)F	687889871	572060977	/nfs/dbraw/zinc/06/09/77/572060977.db2.gz	KYLAPVUIIRHDLY-BDAKNGLRSA-N	0	0	194.265	3.076	10	0		AGAERN
CC(C)C[C@H]1CCc2ccccc2N1	34189325	572061007	/nfs/dbraw/zinc/06/10/07/572061007.db2.gz	WYKVLGJMFBNGCN-GFCCVEGCSA-N	0	0	189.302	3.459	10	0		AGAERN
CCC[C@H](CO)C[C@H](C)CC(F)F	687889876	572061016	/nfs/dbraw/zinc/06/10/16/572061016.db2.gz	KYLAPVUIIRHDLY-IUCAKERBSA-N	0	0	194.265	3.076	10	0		AGAERN
CN(c1ccccc1)c1cccc(N)c1	36720258	572061416	/nfs/dbraw/zinc/06/14/16/572061416.db2.gz	XGQBXXBDCMIAQO-UHFFFAOYSA-N	0	0	198.269	3.037	10	0		AGAERN
CCC[C@@H](CO)C[C@H](C)CC(F)F	687889874	572061421	/nfs/dbraw/zinc/06/14/21/572061421.db2.gz	KYLAPVUIIRHDLY-DTWKUNHWSA-N	0	0	194.265	3.076	10	0		AGAERN
CC1(C)CCC[C@@]2(C)C[C@@H](O)CC[C@@H]12	34199342	572061422	/nfs/dbraw/zinc/06/14/22/572061422.db2.gz	HOHOHOZRWZCOOX-GVXVVHGQSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1cccc(CCC(=O)C(C)C)c1	36683781	572061578	/nfs/dbraw/zinc/06/15/78/572061578.db2.gz	AQMVYCTXOVSISK-UHFFFAOYSA-N	0	0	190.286	3.153	10	0		AGAERN
CCC(=O)CCc1ccc(CC)s1	36683751	572061759	/nfs/dbraw/zinc/06/17/59/572061759.db2.gz	AODQZOVSNZLWCY-UHFFFAOYSA-N	0	0	196.315	3.222	10	0		AGAERN
CC1(C)CCC[C@]2(C)C[C@@H](O)CC[C@@H]12	34199344	572061856	/nfs/dbraw/zinc/06/18/56/572061856.db2.gz	HOHOHOZRWZCOOX-GMXVVIOVSA-N	0	0	196.334	3.364	10	0		AGAERN
O=C1CC[C@@]23CCCCCC[C@@]12C3	196440591	572062394	/nfs/dbraw/zinc/06/23/94/572062394.db2.gz	PSARCRDQNKTNFM-VXGBXAGGSA-N	0	0	178.275	3.080	10	0		AGAERN
CCC[C@@H](CO)C[C@@H](C)CC(F)F	687889878	572061983	/nfs/dbraw/zinc/06/19/83/572061983.db2.gz	KYLAPVUIIRHDLY-RKDXNWHRSA-N	0	0	194.265	3.076	10	0		AGAERN
Cc1cccc(Nc2cccc(N)c2)c1	36720424	572062010	/nfs/dbraw/zinc/06/20/10/572062010.db2.gz	IBTAKSXRZTUBLU-UHFFFAOYSA-N	0	0	198.269	3.321	10	0		AGAERN
C[C@H]1CCc2[nH]c3ccccc3c21	34189071	572062055	/nfs/dbraw/zinc/06/20/55/572062055.db2.gz	QUYRJDMUKFGIAL-QMMMGPOBSA-N	0	0	171.243	3.218	10	0		AGAERN
CCCC(Cl)(CCC)N=O	34179490	572062182	/nfs/dbraw/zinc/06/21/82/572062182.db2.gz	ILUVMECIACSDDT-UHFFFAOYSA-N	0	0	163.648	3.288	10	0		AGAERN
CCCC[C@@]1(C)CCCCC1=O	34179565	572062354	/nfs/dbraw/zinc/06/23/54/572062354.db2.gz	SGVWFCRSGQMOOV-NSHDSACASA-N	0	0	168.280	3.326	10	0		AGAERN
CC[C@@H](CCc1cccs1)[C@@H](C)O	82603129	572063788	/nfs/dbraw/zinc/06/37/88/572063788.db2.gz	YOUYQKHZWQVOJV-ZJUUUORDSA-N	0	0	198.331	3.088	10	0		AGAERN
Cc1c[nH]c(-c2ccccc2O)c1C	196444183	572062568	/nfs/dbraw/zinc/06/25/68/572062568.db2.gz	FKVXPYUNJFQNPT-UHFFFAOYSA-N	0	0	187.242	3.004	10	0		AGAERN
CC(C)(C)CCC[C@H](O)C1CCC1	300924046	572063867	/nfs/dbraw/zinc/06/38/67/572063867.db2.gz	UGSFBHJTCGJRBX-NSHDSACASA-N	0	0	184.323	3.364	10	0		AGAERN
O=C1CCCCC[C@@H]2C=CCC[C@@H]12	196440443	572062816	/nfs/dbraw/zinc/06/28/16/572062816.db2.gz	ACFUGDNJNJAFGL-GHMZBOCLSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1ccccc1CCC(=O)C(C)C	36683779	572062899	/nfs/dbraw/zinc/06/28/99/572062899.db2.gz	UENYWJNXWSVQGN-UHFFFAOYSA-N	0	0	190.286	3.153	10	0		AGAERN
c1coc(-c2ccsc2)c1	34184484	572062908	/nfs/dbraw/zinc/06/29/08/572062908.db2.gz	KVFDXEOQBOHHAR-UHFFFAOYSA-N	0	0	150.202	3.008	10	0		AGAERN
COCc1ccc2sccc2c1	34188020	572063088	/nfs/dbraw/zinc/06/30/88/572063088.db2.gz	MQLGWLTZVQVWRV-UHFFFAOYSA-N	0	0	178.256	3.048	10	0		AGAERN
C[C@@H]1CCc2[nH]c3ccccc3c21	34189069	572063105	/nfs/dbraw/zinc/06/31/05/572063105.db2.gz	QUYRJDMUKFGIAL-MRVPVSSYSA-N	0	0	171.243	3.218	10	0		AGAERN
Cc1ccc(CCC(=O)C(C)C)cc1	36683784	572063120	/nfs/dbraw/zinc/06/31/20/572063120.db2.gz	MFHGSPXGANQMJQ-UHFFFAOYSA-N	0	0	190.286	3.153	10	0		AGAERN
CC(C)C[C@@H]1CCc2ccccc2N1	34189323	572063136	/nfs/dbraw/zinc/06/31/36/572063136.db2.gz	WYKVLGJMFBNGCN-LBPRGKRZSA-N	0	0	189.302	3.459	10	0		AGAERN
CC[C@H](C)C(=O)CCc1cccs1	82602774	572063265	/nfs/dbraw/zinc/06/32/65/572063265.db2.gz	LWOFWFKIXMTBOI-VIFPVBQESA-N	0	0	196.315	3.296	10	0		AGAERN
Cc1ccccc1Nc1cccc(N)c1	36720427	572063448	/nfs/dbraw/zinc/06/34/48/572063448.db2.gz	OBYCAZPZLDLSQD-UHFFFAOYSA-N	0	0	198.269	3.321	10	0		AGAERN
CC[C@H](O)[C@@H](C)CCc1cccs1	82603192	572063593	/nfs/dbraw/zinc/06/35/93/572063593.db2.gz	IBJRJQCIIQLHFI-ONGXEEELSA-N	0	0	198.331	3.088	10	0		AGAERN
CCCCCCNc1c(C)n[nH]c1C	36734361	572063585	/nfs/dbraw/zinc/06/35/85/572063585.db2.gz	CYWAIACFIMCLJV-UHFFFAOYSA-N	0	0	195.310	3.019	10	0		AGAERN
Cc1ccc(Nc2cccc(N)c2)cc1	36720423	572063655	/nfs/dbraw/zinc/06/36/55/572063655.db2.gz	GQUDMCXNHNALEP-UHFFFAOYSA-N	0	0	198.269	3.321	10	0		AGAERN
CC[C@H](O)[C@H](C)CCc1cccs1	82603195	572063662	/nfs/dbraw/zinc/06/36/62/572063662.db2.gz	IBJRJQCIIQLHFI-KOLCDFICSA-N	0	0	198.331	3.088	10	0		AGAERN
CC(C)CC(=O)CCc1cccs1	82602743	572065183	/nfs/dbraw/zinc/06/51/83/572065183.db2.gz	DLBOCPZPXXUZAP-UHFFFAOYSA-N	0	0	196.315	3.296	10	0		AGAERN
CCC[C@H](O)CCCc1cccs1	82603134	572063708	/nfs/dbraw/zinc/06/37/08/572063708.db2.gz	WEVJNCWXDTWDCS-JTQLQIEISA-N	0	0	198.331	3.232	10	0		AGAERN
CC[C@@H](O)[C@H](C)CCc1cccs1	82603196	572063724	/nfs/dbraw/zinc/06/37/24/572063724.db2.gz	IBJRJQCIIQLHFI-MWLCHTKSSA-N	0	0	198.331	3.088	10	0		AGAERN
CCC(=O)CC/C=C/c1ccccc1	36683770	572063747	/nfs/dbraw/zinc/06/37/47/572063747.db2.gz	DDMRQZMPNNYTLC-UXBLZVDNSA-N	0	0	188.270	3.459	10	0		AGAERN
CCC[C@@H](O)CCCc1cccs1	82603135	572064074	/nfs/dbraw/zinc/06/40/74/572064074.db2.gz	WEVJNCWXDTWDCS-SNVBAGLBSA-N	0	0	198.331	3.232	10	0		AGAERN
CC(C)(C)CC[C@@H](O)Cc1ccoc1	300924040	572064251	/nfs/dbraw/zinc/06/42/51/572064251.db2.gz	UGSFASIEKFCDKQ-LLVKDONJSA-N	0	0	196.290	3.009	10	0		AGAERN
CC[C@H](CCc1cccs1)C(C)=O	82602455	572064283	/nfs/dbraw/zinc/06/42/83/572064283.db2.gz	DHOJOOXTKUKKFY-SNVBAGLBSA-N	0	0	196.315	3.296	10	0		AGAERN
Oc1c[nH]c(-c2ccc(Cl)cc2)c1	34212182	572064298	/nfs/dbraw/zinc/06/42/98/572064298.db2.gz	CKCXPQJGDSEZAK-UHFFFAOYSA-N	0	0	193.633	3.041	10	0		AGAERN
CC[C@H](C)[C@H](O)CCc1cccs1	82602834	572064348	/nfs/dbraw/zinc/06/43/48/572064348.db2.gz	CGPMFTCHRMCGOY-GXSJLCMTSA-N	0	0	198.331	3.088	10	0		AGAERN
CC[C@H](C)[C@@H](O)CCc1cccs1	82602836	572064386	/nfs/dbraw/zinc/06/43/86/572064386.db2.gz	CGPMFTCHRMCGOY-ONGXEEELSA-N	0	0	198.331	3.088	10	0		AGAERN
CCC(C)(C)c1ccc(OC)c(O)c1	34216289	572064390	/nfs/dbraw/zinc/06/43/90/572064390.db2.gz	CICKZIOQQGTTOX-UHFFFAOYSA-N	0	0	194.274	3.088	10	0		AGAERN
CC[C@@H](CCc1cccs1)[C@H](C)O	82603132	572064417	/nfs/dbraw/zinc/06/44/17/572064417.db2.gz	YOUYQKHZWQVOJV-UWVGGRQHSA-N	0	0	198.331	3.088	10	0		AGAERN
CC[C@@H](C)[C@@H](O)CCc1cccs1	82602835	572064435	/nfs/dbraw/zinc/06/44/35/572064435.db2.gz	CGPMFTCHRMCGOY-KOLCDFICSA-N	0	0	198.331	3.088	10	0		AGAERN
CC(C)[C@@H](O)CCCc1cccs1	82603144	572064474	/nfs/dbraw/zinc/06/44/74/572064474.db2.gz	VVLLWZXOXRZVKF-NSHDSACASA-N	0	0	198.331	3.088	10	0		AGAERN
CC[C@H](CCc1cccs1)[C@@H](C)O	82603131	572064478	/nfs/dbraw/zinc/06/44/78/572064478.db2.gz	YOUYQKHZWQVOJV-NXEZZACHSA-N	0	0	198.331	3.088	10	0		AGAERN
CC(C)[C@H](O)CCCc1cccs1	82603143	572064529	/nfs/dbraw/zinc/06/45/29/572064529.db2.gz	VVLLWZXOXRZVKF-LLVKDONJSA-N	0	0	198.331	3.088	10	0		AGAERN
CC[C@@H](C)[C@H](O)CCc1cccs1	82602833	572064575	/nfs/dbraw/zinc/06/45/75/572064575.db2.gz	CGPMFTCHRMCGOY-MWLCHTKSSA-N	0	0	198.331	3.088	10	0		AGAERN
CC(C)(C)CCC[C@@H](O)C1CCC1	300924044	572064673	/nfs/dbraw/zinc/06/46/73/572064673.db2.gz	UGSFBHJTCGJRBX-LLVKDONJSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(=O)[C@@H](C)CCc1cccs1	82602473	572064851	/nfs/dbraw/zinc/06/48/51/572064851.db2.gz	LUKZQMIMZRBTJU-VIFPVBQESA-N	0	0	196.315	3.296	10	0		AGAERN
C1=Cc2cccc3ccn(c23)CC1	34235908	572064930	/nfs/dbraw/zinc/06/49/30/572064930.db2.gz	GAEWRSMDAWRTNM-UHFFFAOYSA-N	0	0	169.227	3.058	10	0		AGAERN
CC(C)(C)CCC[C@@H]1CCC[C@H]1O	300923934	572064982	/nfs/dbraw/zinc/06/49/82/572064982.db2.gz	UELJKICBCVOCID-WDEREUQCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCCc1c(N)cccc1Cl	34205387	572065082	/nfs/dbraw/zinc/06/50/82/572065082.db2.gz	IFLLHNMCIXRVEC-UHFFFAOYSA-N	0	0	183.682	3.265	10	0		AGAERN
CCC(=O)[C@H](C)CCc1cccs1	82602474	572065230	/nfs/dbraw/zinc/06/52/30/572065230.db2.gz	LUKZQMIMZRBTJU-SECBINFHSA-N	0	0	196.315	3.296	10	0		AGAERN
CCc1ccc(C=O)c2ccccc12	34224802	572065248	/nfs/dbraw/zinc/06/52/48/572065248.db2.gz	ZUDLTYMJJXYVKA-UHFFFAOYSA-N	0	0	184.238	3.215	10	0		AGAERN
CC[C@H](CCc1cccs1)[C@H](C)O	82603133	572065251	/nfs/dbraw/zinc/06/52/51/572065251.db2.gz	YOUYQKHZWQVOJV-VHSXEESVSA-N	0	0	198.331	3.088	10	0		AGAERN
CC[C@@H](CCc1cccs1)C(C)=O	82602454	572065281	/nfs/dbraw/zinc/06/52/81/572065281.db2.gz	DHOJOOXTKUKKFY-JTQLQIEISA-N	0	0	196.315	3.296	10	0		AGAERN
CC[C@@H](C)C(=O)CCc1cccs1	82602773	572065355	/nfs/dbraw/zinc/06/53/55/572065355.db2.gz	LWOFWFKIXMTBOI-SECBINFHSA-N	0	0	196.315	3.296	10	0		AGAERN
CC[C@@H](O)[C@@H](C)CCc1cccs1	82603194	572065402	/nfs/dbraw/zinc/06/54/02/572065402.db2.gz	IBJRJQCIIQLHFI-GXSJLCMTSA-N	0	0	198.331	3.088	10	0		AGAERN
c1cc2cc3c(cc2o1)CCCC3	34266127	572065905	/nfs/dbraw/zinc/06/59/05/572065905.db2.gz	XBQXXXNSFREXEJ-UHFFFAOYSA-N	0	0	172.227	3.312	10	0		AGAERN
Cc1cc2c(C)coc2c(O)c1C	34259355	572065956	/nfs/dbraw/zinc/06/59/56/572065956.db2.gz	GGDHNIDDRQTCRN-UHFFFAOYSA-N	0	0	176.215	3.064	10	0		AGAERN
CC(C)(C)CC1=C[C@@H](O)CCCC1	713208982	572066359	/nfs/dbraw/zinc/06/63/59/572066359.db2.gz	GLXDTGOBNYTLGI-NSHDSACASA-N	0	0	182.307	3.284	10	0		AGAERN
CCC(=O)C[C@@H](C)C(C)(C)C	34260317	572066572	/nfs/dbraw/zinc/06/65/72/572066572.db2.gz	ZCRULDAKTHQDBK-MRVPVSSYSA-N	0	0	156.269	3.038	10	0		AGAERN
CCC(=O)C[C@H](C)C(C)(C)C	34260318	572067620	/nfs/dbraw/zinc/06/76/20/572067620.db2.gz	ZCRULDAKTHQDBK-QMMMGPOBSA-N	0	0	156.269	3.038	10	0		AGAERN
CCCCCOc1ccnc(Cl)c1	82605488	572068089	/nfs/dbraw/zinc/06/80/89/572068089.db2.gz	SKOYXNDSJRYCGM-UHFFFAOYSA-N	0	0	199.681	3.304	10	0		AGAERN
C=CO[C@H]1C[C@H](C)CC(C)(C)C1	34268673	572068412	/nfs/dbraw/zinc/06/84/12/572068412.db2.gz	CWDKQIYIMGWZPJ-UWVGGRQHSA-N	0	0	168.280	3.361	10	0		AGAERN
CC(C)(C)CC1=C[C@H](O)CCCC1	713208964	572068648	/nfs/dbraw/zinc/06/86/48/572068648.db2.gz	GLXDTGOBNYTLGI-LLVKDONJSA-N	0	0	182.307	3.284	10	0		AGAERN
COc1cccc2c(C)csc12	34276110	572068679	/nfs/dbraw/zinc/06/86/79/572068679.db2.gz	WWBSFLMTJJKFSU-UHFFFAOYSA-N	0	0	178.256	3.218	10	0		AGAERN
CC(C)CCOc1ccnc(Cl)c1	82605388	572068699	/nfs/dbraw/zinc/06/86/99/572068699.db2.gz	GAYHRUCZIBODCW-UHFFFAOYSA-N	0	0	199.681	3.160	10	0		AGAERN
C/C=C/[C@@H](O)[C@H]1C(C)=CCCC1(C)C	34277915	572068792	/nfs/dbraw/zinc/06/87/92/572068792.db2.gz	YNRMZCWYKACRDW-ONYUAGEFSA-N	0	0	194.318	3.306	10	0		AGAERN
CCSc1cn(C)c2ccccc12	196458389	572068924	/nfs/dbraw/zinc/06/89/24/572068924.db2.gz	SBWBERMVQDOJEF-UHFFFAOYSA-N	0	0	191.299	3.290	10	0		AGAERN
CC(C)C[C@@H](C)C[C@](C)(O)C(C)C	300925721	572069076	/nfs/dbraw/zinc/06/90/76/572069076.db2.gz	NHUOHUINLYLEID-NEPJUHHUSA-N	0	0	186.339	3.466	10	0		AGAERN
C/C=C/[C@H](O)[C@H]1C(C)=CCCC1(C)C	34277914	572069171	/nfs/dbraw/zinc/06/91/71/572069171.db2.gz	YNRMZCWYKACRDW-GAEWNOSXSA-N	0	0	194.318	3.306	10	0		AGAERN
Cc1cccc([C@@H]2CCCS2)c1O	34292022	572069188	/nfs/dbraw/zinc/06/91/88/572069188.db2.gz	FHUMYDJSUVZNAP-JTQLQIEISA-N	0	0	194.299	3.269	10	0		AGAERN
C/C=C/[C@@H](O)C1=C(C)CCCC1(C)C	34277917	572069450	/nfs/dbraw/zinc/06/94/50/572069450.db2.gz	AJQZQLNVFUVNRV-OKPNEXGHSA-N	0	0	194.318	3.450	10	0		AGAERN
C/C=C/[C@H](O)[C@@H]1C(C)=CCCC1(C)C	34277912	572069526	/nfs/dbraw/zinc/06/95/26/572069526.db2.gz	YNRMZCWYKACRDW-YILIYONBSA-N	0	0	194.318	3.306	10	0		AGAERN
CCCSc1cc(O)ccc1C	34289254	572069537	/nfs/dbraw/zinc/06/95/37/572069537.db2.gz	WWGMCNVDBQVYIG-UHFFFAOYSA-N	0	0	182.288	3.203	10	0		AGAERN
C/C=C/[C@H](O)C1=C(C)CCCC1(C)C	34277916	572069612	/nfs/dbraw/zinc/06/96/12/572069612.db2.gz	AJQZQLNVFUVNRV-ZRQQLDRUSA-N	0	0	194.318	3.450	10	0		AGAERN
C=CO[C@@H]1C[C@@H](C)CC(C)(C)C1	34268674	572069824	/nfs/dbraw/zinc/06/98/24/572069824.db2.gz	CWDKQIYIMGWZPJ-NXEZZACHSA-N	0	0	168.280	3.361	10	0		AGAERN
C=CO[C@H]1C[C@@H](C)CC(C)(C)C1	34268672	572069861	/nfs/dbraw/zinc/06/98/61/572069861.db2.gz	CWDKQIYIMGWZPJ-ZJUUUORDSA-N	0	0	168.280	3.361	10	0		AGAERN
CC(C)C[C@H](C)C[C@@](C)(O)C(C)C	300925723	572070012	/nfs/dbraw/zinc/07/00/12/572070012.db2.gz	NHUOHUINLYLEID-NWDGAFQWSA-N	0	0	186.339	3.466	10	0		AGAERN
CC(C)C[C@@H](C)C[C@@](C)(O)C(C)C	300925726	572070093	/nfs/dbraw/zinc/07/00/93/572070093.db2.gz	NHUOHUINLYLEID-VXGBXAGGSA-N	0	0	186.339	3.466	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1Cn1cccc1	42866834	572070107	/nfs/dbraw/zinc/07/01/07/572070107.db2.gz	XDPKYEOFEPFRBU-VXGBXAGGSA-N	0	0	177.291	3.314	10	0		AGAERN
CC(C)C[C@H](C)C[C@](C)(O)C(C)C	300925724	572070366	/nfs/dbraw/zinc/07/03/66/572070366.db2.gz	NHUOHUINLYLEID-RYUDHWBXSA-N	0	0	186.339	3.466	10	0		AGAERN
c1ccc2c(c1)ccn1cccc21	34288487	572070384	/nfs/dbraw/zinc/07/03/84/572070384.db2.gz	HBMUMVMGBLMQJT-UHFFFAOYSA-N	0	0	167.211	3.093	10	0		AGAERN
Cc1cccc([C@H]2CCCS2)c1O	34292024	572070419	/nfs/dbraw/zinc/07/04/19/572070419.db2.gz	FHUMYDJSUVZNAP-SNVBAGLBSA-N	0	0	194.299	3.269	10	0		AGAERN
C=CO[C@@H]1C[C@H](C)CC(C)(C)C1	34268675	572070421	/nfs/dbraw/zinc/07/04/21/572070421.db2.gz	CWDKQIYIMGWZPJ-VHSXEESVSA-N	0	0	168.280	3.361	10	0		AGAERN
C/C=C/[C@@H](O)[C@@H]1C(C)=CCCC1(C)C	34277913	572070557	/nfs/dbraw/zinc/07/05/57/572070557.db2.gz	YNRMZCWYKACRDW-BAEOLTKYSA-N	0	0	194.318	3.306	10	0		AGAERN
Cc1cc(Cl)c(C)c(Cl)c1O	34310490	572071299	/nfs/dbraw/zinc/07/12/99/572071299.db2.gz	WEJXBXDLLWHUNT-UHFFFAOYSA-N	0	0	191.057	3.316	10	0		AGAERN
Cc1cc([C@@H]2C=CCCC2)ccc1N	34311210	572071011	/nfs/dbraw/zinc/07/10/11/572071011.db2.gz	AWOWZMBPAGMXMV-LLVKDONJSA-N	0	0	187.286	3.401	10	0		AGAERN
c1ccc2c(c1)cnc1sccc12	34300862	572071264	/nfs/dbraw/zinc/07/12/64/572071264.db2.gz	PKHHCZYTAHQZJN-UHFFFAOYSA-N	0	0	185.251	3.450	10	0		AGAERN
Cc1ccc(C)c2cc(C=O)ccc12	34304936	572071745	/nfs/dbraw/zinc/07/17/45/572071745.db2.gz	FTOUILBXSCFSGF-UHFFFAOYSA-N	0	0	184.238	3.269	10	0		AGAERN
CCCc1coc2cccc(O)c12	34325008	572072054	/nfs/dbraw/zinc/07/20/54/572072054.db2.gz	PSUPVAHRVSMUHO-UHFFFAOYSA-N	0	0	176.215	3.091	10	0		AGAERN
Cc1cccc(C2CCCC2)c1N	34311206	572072145	/nfs/dbraw/zinc/07/21/45/572072145.db2.gz	ONBOBMWVGLBMBW-UHFFFAOYSA-N	0	0	175.275	3.235	10	0		AGAERN
CC[C@@H](C)c1cccc(C=O)c1C	34318681	572072288	/nfs/dbraw/zinc/07/22/88/572072288.db2.gz	OQXKKDDQXGOBCD-SECBINFHSA-N	0	0	176.259	3.321	10	0		AGAERN
C[C@@H]1CCCC[C@H]1Cn1cccc1	42866839	572072365	/nfs/dbraw/zinc/07/23/65/572072365.db2.gz	XDPKYEOFEPFRBU-NEPJUHHUSA-N	0	0	177.291	3.314	10	0		AGAERN
C[C@H]1CCCC[C@@H]1Cn1cccc1	42866837	572072566	/nfs/dbraw/zinc/07/25/66/572072566.db2.gz	XDPKYEOFEPFRBU-NWDGAFQWSA-N	0	0	177.291	3.314	10	0		AGAERN
CCc1oc2cccc(O)c2c1C	34325027	572072604	/nfs/dbraw/zinc/07/26/04/572072604.db2.gz	FHFZQMYBQUMQPX-UHFFFAOYSA-N	0	0	176.215	3.009	10	0		AGAERN
c1ccc2c(c1)cnc1cscc12	34300861	572072643	/nfs/dbraw/zinc/07/26/43/572072643.db2.gz	GDEITGBRLPLIKK-UHFFFAOYSA-N	0	0	185.251	3.450	10	0		AGAERN
CCc1cnc2c(C)cccc2c1	34300554	572072696	/nfs/dbraw/zinc/07/26/96/572072696.db2.gz	PJOKZYHMROYEBV-UHFFFAOYSA-N	0	0	171.243	3.106	10	0		AGAERN
CC(C)(C)C(=O)CCc1ccsc1	36867143	572072750	/nfs/dbraw/zinc/07/27/50/572072750.db2.gz	KXUFOOGDLXRMJG-UHFFFAOYSA-N	0	0	196.315	3.296	10	0		AGAERN
CCCc1ccc2occ(C)c2c1O	34325012	572072760	/nfs/dbraw/zinc/07/27/60/572072760.db2.gz	KRXPLCFAVKHLRU-UHFFFAOYSA-N	0	0	190.242	3.399	10	0		AGAERN
C=C(c1ccccc1)n1cccc1	34295275	572072812	/nfs/dbraw/zinc/07/28/12/572072812.db2.gz	KDNNZPMNJZLPPG-UHFFFAOYSA-N	0	0	169.227	3.007	10	0		AGAERN
CCCCCCOc1ccccc1O	36896862	572072897	/nfs/dbraw/zinc/07/28/97/572072897.db2.gz	WTAUMGJJFXKZLQ-UHFFFAOYSA-N	0	0	194.274	3.351	10	0		AGAERN
CSc1ccc2cc(O)ccc2c1	34305974	572073097	/nfs/dbraw/zinc/07/30/97/572073097.db2.gz	PETKRSQIEMJAPN-UHFFFAOYSA-N	0	0	190.267	3.267	10	0		AGAERN
Cc1ccc2cccc(C)c2c1O	34305610	572073177	/nfs/dbraw/zinc/07/31/77/572073177.db2.gz	XMXKYYHQBVPDEC-UHFFFAOYSA-N	0	0	172.227	3.162	10	0		AGAERN
CC1(C)CCCC(C)(C)C(=O)C1	34319758	572073254	/nfs/dbraw/zinc/07/32/54/572073254.db2.gz	GLNVRAJJCNLWMB-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1cc([C@H]2C=CCCC2)ccc1N	34311208	572073298	/nfs/dbraw/zinc/07/32/98/572073298.db2.gz	AWOWZMBPAGMXMV-NSHDSACASA-N	0	0	187.286	3.401	10	0		AGAERN
CCC[C@@H](O)[C@H]1CCCC[C@@H]1CC	82658327	572073641	/nfs/dbraw/zinc/07/36/41/572073641.db2.gz	ACIYNHJPFXPNSO-SDDRHHMPSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)Sc1ccc(C=O)cc1	82612266	572073458	/nfs/dbraw/zinc/07/34/58/572073458.db2.gz	QZPVVCWWBQKIJF-VIFPVBQESA-N	0	0	194.299	3.390	10	0		AGAERN
Cc1c(O)cccc1OCCC(C)C	36896583	572073493	/nfs/dbraw/zinc/07/34/93/572073493.db2.gz	FRKBVDFXIAHPEW-UHFFFAOYSA-N	0	0	194.274	3.126	10	0		AGAERN
CC[C@H](C)Sc1ccccc1CO	82616512	572073595	/nfs/dbraw/zinc/07/35/95/572073595.db2.gz	XWFVKYBDESDQIM-VIFPVBQESA-N	0	0	196.315	3.070	10	0		AGAERN
CC[C@@H](C)Sc1ccc(C=O)cc1	82612264	572073632	/nfs/dbraw/zinc/07/36/32/572073632.db2.gz	QZPVVCWWBQKIJF-SECBINFHSA-N	0	0	194.299	3.390	10	0		AGAERN
CC(C)C[C@H](C)CC1([C@H](C)O)CC1	300928487	572073639	/nfs/dbraw/zinc/07/36/39/572073639.db2.gz	NMXRTCWZNYYOBJ-QWRGUYRKSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC[C@@H](O)[C@@H]1CCCC[C@@H]1CC	82658325	572073794	/nfs/dbraw/zinc/07/37/94/572073794.db2.gz	ACIYNHJPFXPNSO-QJPTWQEYSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)Sc1ccccc1C=O	82612219	572073843	/nfs/dbraw/zinc/07/38/43/572073843.db2.gz	NGVAJMDKZBZPBV-VIFPVBQESA-N	0	0	194.299	3.390	10	0		AGAERN
C[C@@H]1C[C@H](O)c2ccc3ccccc3c21	82618399	572073902	/nfs/dbraw/zinc/07/39/02/572073902.db2.gz	NZSKDEWLKARUSG-RNCFNFMXSA-N	0	0	198.265	3.380	10	0		AGAERN
CCCCCOc1cccc(O)c1C	36896637	572073986	/nfs/dbraw/zinc/07/39/86/572073986.db2.gz	GZMHWUGDZVUTKT-UHFFFAOYSA-N	0	0	194.274	3.270	10	0		AGAERN
CCC[C@H](O)[C@H]1CCCC[C@@H]1CC	82658326	572073985	/nfs/dbraw/zinc/07/39/85/572073985.db2.gz	ACIYNHJPFXPNSO-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)=CCc1cc(F)ccc1O	34349348	572074007	/nfs/dbraw/zinc/07/40/07/572074007.db2.gz	CXTVFSXNBCDVAY-UHFFFAOYSA-N	0	0	180.222	3.040	10	0		AGAERN
CC[C@@H](C)Sc1ccccc1C=O	82612218	572074028	/nfs/dbraw/zinc/07/40/28/572074028.db2.gz	NGVAJMDKZBZPBV-SECBINFHSA-N	0	0	194.299	3.390	10	0		AGAERN
C[C@H]1C[C@H](O)c2ccc3ccccc3c21	82618400	572074160	/nfs/dbraw/zinc/07/41/60/572074160.db2.gz	NZSKDEWLKARUSG-ZANVPECISA-N	0	0	198.265	3.380	10	0		AGAERN
CC(C)C[C@@H](C)CC1([C@@H](C)O)CC1	300928482	572074264	/nfs/dbraw/zinc/07/42/64/572074264.db2.gz	NMXRTCWZNYYOBJ-GHMZBOCLSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@@H](C)Sc1ccccc1CO	82616511	572074305	/nfs/dbraw/zinc/07/43/05/572074305.db2.gz	XWFVKYBDESDQIM-SECBINFHSA-N	0	0	196.315	3.070	10	0		AGAERN
CCC[C@H](O)[C@@H]1CCCC[C@@H]1CC	82658324	572074324	/nfs/dbraw/zinc/07/43/24/572074324.db2.gz	ACIYNHJPFXPNSO-TUAOUCFPSA-N	0	0	184.323	3.364	10	0		AGAERN
O[C@@H](C=C(F)F)CC1CCCCC1	34345444	572074508	/nfs/dbraw/zinc/07/45/08/572074508.db2.gz	WWWMCAAFNSGSMU-SECBINFHSA-N	0	0	190.233	3.098	10	0		AGAERN
CC(C)C[C@H](C)CC1([C@@H](C)O)CC1	300928490	572075165	/nfs/dbraw/zinc/07/51/65/572075165.db2.gz	NMXRTCWZNYYOBJ-WDEREUQCSA-N	0	0	184.323	3.220	10	0		AGAERN
CCCSc1ccc(C=O)cc1C	82612327	572074681	/nfs/dbraw/zinc/07/46/81/572074681.db2.gz	DKPXRQJMFYFVEN-UHFFFAOYSA-N	0	0	194.299	3.310	10	0		AGAERN
CC(C)OC(=O)C[C@@H](C)C(C)(C)C	82619059	572074913	/nfs/dbraw/zinc/07/49/13/572074913.db2.gz	YCESISZSFSZWON-SECBINFHSA-N	0	0	186.295	3.010	10	0		AGAERN
CCCSc1ccc(C=O)cc1F	82612323	572075020	/nfs/dbraw/zinc/07/50/20/572075020.db2.gz	JMYJLVOJEWCASA-UHFFFAOYSA-N	0	0	198.262	3.140	10	0		AGAERN
O[C@H](C=C(F)F)CC1CCCCC1	34345443	572075063	/nfs/dbraw/zinc/07/50/63/572075063.db2.gz	WWWMCAAFNSGSMU-VIFPVBQESA-N	0	0	190.233	3.098	10	0		AGAERN
CCCOC(=O)C[C@@H](C)C(C)(C)C	82619062	572075118	/nfs/dbraw/zinc/07/51/18/572075118.db2.gz	HAFPPISQDCREDI-SECBINFHSA-N	0	0	186.295	3.012	10	0		AGAERN
C[C@@H]1C[C@@H](O)c2ccc3ccccc3c21	82618401	572075138	/nfs/dbraw/zinc/07/51/38/572075138.db2.gz	NZSKDEWLKARUSG-NOZJJQNGSA-N	0	0	198.265	3.380	10	0		AGAERN
CC(C)OC(=O)C[C@H](C)C(C)(C)C	82619060	572075285	/nfs/dbraw/zinc/07/52/85/572075285.db2.gz	YCESISZSFSZWON-VIFPVBQESA-N	0	0	186.295	3.010	10	0		AGAERN
CCCSc1ccc(F)cc1C=O	82612320	572075296	/nfs/dbraw/zinc/07/52/96/572075296.db2.gz	DLWCOBDXYIKTCJ-UHFFFAOYSA-N	0	0	198.262	3.140	10	0		AGAERN
CSc1ccc(NC(C)=S)cc1	207210933	572075728	/nfs/dbraw/zinc/07/57/28/572075728.db2.gz	VDUDLSOHHIKIGV-UHFFFAOYSA-N	0	0	197.328	3.168	10	0		AGAERN
CC[C@H](C)Sc1ccc(CO)cc1	82616508	572075490	/nfs/dbraw/zinc/07/54/90/572075490.db2.gz	ZYKXUIPNJHKBMF-VIFPVBQESA-N	0	0	196.315	3.070	10	0		AGAERN
C[C@H]1C[C@@H](O)c2ccc3ccccc3c21	82618402	572075513	/nfs/dbraw/zinc/07/55/13/572075513.db2.gz	NZSKDEWLKARUSG-TVQRCGJNSA-N	0	0	198.265	3.380	10	0		AGAERN
CCCOC(=O)C[C@H](C)C(C)(C)C	82619063	572075649	/nfs/dbraw/zinc/07/56/49/572075649.db2.gz	HAFPPISQDCREDI-VIFPVBQESA-N	0	0	186.295	3.012	10	0		AGAERN
CC(C)=CC[C@H]1CCCC(=O)C1	34334261	572075683	/nfs/dbraw/zinc/07/56/83/572075683.db2.gz	WVQCNPBJZDPCBJ-SNVBAGLBSA-N	0	0	166.264	3.102	10	0		AGAERN
C[C@@H](C[C@@H](O)c1ccc[nH]1)C(C)(C)C	82628650	572075961	/nfs/dbraw/zinc/07/59/61/572075961.db2.gz	CAROGRBUCNJZCR-GXSJLCMTSA-N	0	0	195.306	3.120	10	0		AGAERN
C[C@H](CC(=O)c1ccc[nH]1)C(C)(C)C	82628116	572076012	/nfs/dbraw/zinc/07/60/12/572076012.db2.gz	BJFAFNFHVAPQPC-SECBINFHSA-N	0	0	193.290	3.270	10	0		AGAERN
C[C@@H](CC(=O)c1ccc[nH]1)C(C)(C)C	82628115	572076164	/nfs/dbraw/zinc/07/61/64/572076164.db2.gz	BJFAFNFHVAPQPC-VIFPVBQESA-N	0	0	193.290	3.270	10	0		AGAERN
Cc1ccsc1C(F)(F)F	34380713	572076417	/nfs/dbraw/zinc/07/64/17/572076417.db2.gz	VHTBZEVCVWAFNC-UHFFFAOYSA-N	0	0	166.167	3.075	10	0		AGAERN
C[C@H](C[C@@H](O)c1ccc[nH]1)C(C)(C)C	82628651	572076442	/nfs/dbraw/zinc/07/64/42/572076442.db2.gz	CAROGRBUCNJZCR-MWLCHTKSSA-N	0	0	195.306	3.120	10	0		AGAERN
Cc1cccc2cc(F)sc12	34364015	572076452	/nfs/dbraw/zinc/07/64/52/572076452.db2.gz	ZZYFCZXCYASIDW-UHFFFAOYSA-N	0	0	166.220	3.349	10	0		AGAERN
O[C@H]1CCCCC1=C1CCCCC1	34406410	572076504	/nfs/dbraw/zinc/07/65/04/572076504.db2.gz	SMKKYJKRYVHPCS-LBPRGKRZSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1cc(C(C)C)cc(C)c1O	34370651	572076510	/nfs/dbraw/zinc/07/65/10/572076510.db2.gz	XBDGGYWLUULJRH-UHFFFAOYSA-N	0	0	164.248	3.132	10	0		AGAERN
Cc1cccc2c(F)csc12	34364018	572076522	/nfs/dbraw/zinc/07/65/22/572076522.db2.gz	ZCBLINSKKWUYCA-UHFFFAOYSA-N	0	0	166.220	3.349	10	0		AGAERN
CCCNc1ccccc1CCC	36974836	572076660	/nfs/dbraw/zinc/07/66/60/572076660.db2.gz	RQYIRYHWLJKUOM-UHFFFAOYSA-N	0	0	177.291	3.461	10	0		AGAERN
C[C@H](C[C@@H](O)c1cc[nH]c1)C(C)(C)C	82628655	572076924	/nfs/dbraw/zinc/07/69/24/572076924.db2.gz	RMQOWYRBHSRGDL-MWLCHTKSSA-N	0	0	195.306	3.120	10	0		AGAERN
C[C@@H](C[C@H](O)c1cc[nH]c1)C(C)(C)C	82628652	572077003	/nfs/dbraw/zinc/07/70/03/572077003.db2.gz	RMQOWYRBHSRGDL-ONGXEEELSA-N	0	0	195.306	3.120	10	0		AGAERN
C[C@H](C[C@H](O)c1cc[nH]c1)C(C)(C)C	82628653	572077010	/nfs/dbraw/zinc/07/70/10/572077010.db2.gz	RMQOWYRBHSRGDL-KOLCDFICSA-N	0	0	195.306	3.120	10	0		AGAERN
O=C1CCC2(CCCCCC2)CC1	34381699	572077056	/nfs/dbraw/zinc/07/70/56/572077056.db2.gz	KVQVBEZGTFSTFS-UHFFFAOYSA-N	0	0	180.291	3.470	10	0		AGAERN
CCC(CC)[C@@H](C)Nc1ccccn1	82633363	572077281	/nfs/dbraw/zinc/07/72/81/572077281.db2.gz	XLPDLRPFBJECCN-SNVBAGLBSA-N	0	0	192.306	3.318	10	0		AGAERN
CCCc1ccc(O)c(C(C)C)c1	34370652	572077341	/nfs/dbraw/zinc/07/73/41/572077341.db2.gz	ZNVLKMKGFWEUPV-UHFFFAOYSA-N	0	0	178.275	3.468	10	0		AGAERN
Cc1ccoc1-c1nc2ccccc2[nH]1	36964391	572077409	/nfs/dbraw/zinc/07/74/09/572077409.db2.gz	ZYTLYQSGNUSOAK-UHFFFAOYSA-N	0	0	198.225	3.131	10	0		AGAERN
C[C@H](CC(=O)c1cc[nH]c1)C(C)(C)C	82628118	572077601	/nfs/dbraw/zinc/07/76/01/572077601.db2.gz	MTBDTUUVELKYTK-SECBINFHSA-N	0	0	193.290	3.270	10	0		AGAERN
C[C@@H](C[C@@H](O)c1cc[nH]c1)C(C)(C)C	82628654	572077633	/nfs/dbraw/zinc/07/76/33/572077633.db2.gz	RMQOWYRBHSRGDL-GXSJLCMTSA-N	0	0	195.306	3.120	10	0		AGAERN
O[C@@H]1CCCCC1=C1CCCCC1	34406411	572077702	/nfs/dbraw/zinc/07/77/02/572077702.db2.gz	SMKKYJKRYVHPCS-GFCCVEGCSA-N	0	0	180.291	3.182	10	0		AGAERN
CCC(CC)[C@H](C)Nc1ccccn1	82633366	572077800	/nfs/dbraw/zinc/07/78/00/572077800.db2.gz	XLPDLRPFBJECCN-JTQLQIEISA-N	0	0	192.306	3.318	10	0		AGAERN
C[C@H](C[C@H](O)c1ccc[nH]1)C(C)(C)C	82628649	572077841	/nfs/dbraw/zinc/07/78/41/572077841.db2.gz	CAROGRBUCNJZCR-KOLCDFICSA-N	0	0	195.306	3.120	10	0		AGAERN
C[C@@H](C[C@H](O)c1ccc[nH]1)C(C)(C)C	82628648	572077879	/nfs/dbraw/zinc/07/78/79/572077879.db2.gz	CAROGRBUCNJZCR-ONGXEEELSA-N	0	0	195.306	3.120	10	0		AGAERN
CCCc1ccc2c(C)coc2c1O	34363301	572077894	/nfs/dbraw/zinc/07/78/94/572077894.db2.gz	RJSULMFQJVCHPA-UHFFFAOYSA-N	0	0	190.242	3.399	10	0		AGAERN
C[C@@H](CC(=O)c1cc[nH]c1)C(C)(C)C	82628117	572077910	/nfs/dbraw/zinc/07/79/10/572077910.db2.gz	MTBDTUUVELKYTK-VIFPVBQESA-N	0	0	193.290	3.270	10	0		AGAERN
CCC(CC)[C@H](C)n1cccc1C=O	82634131	572078280	/nfs/dbraw/zinc/07/82/80/572078280.db2.gz	SUYOEPKMMHUWDK-JTQLQIEISA-N	0	0	193.290	3.298	10	0		AGAERN
Cc1cc(C)cc(-c2cccnc2)c1	34414088	572078586	/nfs/dbraw/zinc/07/85/86/572078586.db2.gz	XTAQZFGDXNEGAE-UHFFFAOYSA-N	0	0	183.254	3.365	10	0		AGAERN
CCCCCC(=O)c1cc(C)ccn1	82643470	572078614	/nfs/dbraw/zinc/07/86/14/572078614.db2.gz	NOVJBYHPEDQPCD-UHFFFAOYSA-N	0	0	191.274	3.153	10	0		AGAERN
CCC(CC)[C@@H](C)n1cccc1C=O	82634128	572078688	/nfs/dbraw/zinc/07/86/88/572078688.db2.gz	SUYOEPKMMHUWDK-SNVBAGLBSA-N	0	0	193.290	3.298	10	0		AGAERN
CCCCc1nc(Cl)c(Cl)[nH]1	34412478	572078820	/nfs/dbraw/zinc/07/88/20/572078820.db2.gz	JMHDWLPMLFACDC-UHFFFAOYSA-N	0	0	193.077	3.059	10	0		AGAERN
CC1(C)C=Cc2cc(F)ccc2C1=O	34412553	572078866	/nfs/dbraw/zinc/07/88/66/572078866.db2.gz	YMQOUECIGDQRIV-UHFFFAOYSA-N	0	0	190.217	3.061	10	0		AGAERN
CCC(C)=C=CC(C)(C)C(C)=O	34413285	572078890	/nfs/dbraw/zinc/07/88/90/572078890.db2.gz	VJFXSWHAXJDMAU-UHFFFAOYSA-N	0	0	166.264	3.113	10	0		AGAERN
CCCCC[C@@H](O)c1cc(C)ccn1	82643530	572079034	/nfs/dbraw/zinc/07/90/34/572079034.db2.gz	KUWYCVBYGVREOW-GFCCVEGCSA-N	0	0	193.290	3.004	10	0		AGAERN
CCCCCC[C@@H]1CCC(=O)C1	34413461	572079268	/nfs/dbraw/zinc/07/92/68/572079268.db2.gz	LDATYLGRKRHXGY-SNVBAGLBSA-N	0	0	168.280	3.326	10	0		AGAERN
Cc1cc(C)c(O)c(-c2ccc[nH]2)c1	34408415	572079288	/nfs/dbraw/zinc/07/92/88/572079288.db2.gz	VPGMTWNHCOZNPU-UHFFFAOYSA-N	0	0	187.242	3.004	10	0		AGAERN
Cc1ccnc(C(=O)CCC(C)C)c1	82643477	572079531	/nfs/dbraw/zinc/07/95/31/572079531.db2.gz	AAFKENGEVAKLEX-UHFFFAOYSA-N	0	0	191.274	3.009	10	0		AGAERN
CCc1cccc(CC)c1C(C)=O	34411232	572079346	/nfs/dbraw/zinc/07/93/46/572079346.db2.gz	ONNBSUZMCFTEQD-UHFFFAOYSA-N	0	0	176.259	3.014	10	0		AGAERN
CCC(CC)[C@H](C)n1cccc1	82634152	572079360	/nfs/dbraw/zinc/07/93/60/572079360.db2.gz	BPDDJFMJDZFSJI-JTQLQIEISA-N	0	0	165.280	3.485	10	0		AGAERN
COc1ccc2c(C)c(C)oc2c1	34413718	572079825	/nfs/dbraw/zinc/07/98/25/572079825.db2.gz	UZHWQZUJGKEPDD-UHFFFAOYSA-N	0	0	176.215	3.058	10	0		AGAERN
CC1=C2CCCC[C@@]2(C)CC[C@@H]1O	34449498	572080428	/nfs/dbraw/zinc/08/04/28/572080428.db2.gz	KXLXSKGVZAMDLW-RYUDHWBXSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(C)(C)/C=C/[C@H](O)c1ccccc1	34414554	572079876	/nfs/dbraw/zinc/07/98/76/572079876.db2.gz	HNXOWHYFHSCBLH-VMPCVLLUSA-N	0	0	190.286	3.322	10	0		AGAERN
CC[C@H]1CCCC[C@H]1[C@@H]1CCC[C@@H]1O	82658819	572079997	/nfs/dbraw/zinc/07/99/97/572079997.db2.gz	KHXTTYXNQIGOMX-RNJOBUHISA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)=CCCC(=O)C(C)(C)C	36988253	572080027	/nfs/dbraw/zinc/08/00/27/572080027.db2.gz	PNHQFHHEAXAQLG-UHFFFAOYSA-N	0	0	168.280	3.348	10	0		AGAERN
Cc1nc(-c2ccc(F)c(C)c2)co1	34410300	572080123	/nfs/dbraw/zinc/08/01/23/572080123.db2.gz	GLQDPXDXDDLJHQ-UHFFFAOYSA-N	0	0	191.205	3.098	10	0		AGAERN
CC[C@@H]1CCCC[C@H]1[C@@H]1CCC[C@@H]1O	82658818	572080227	/nfs/dbraw/zinc/08/02/27/572080227.db2.gz	KHXTTYXNQIGOMX-NDBYEHHHSA-N	0	0	196.334	3.364	10	0		AGAERN
CCCCC[C@H](O)c1cc(C)ccn1	82643529	572080614	/nfs/dbraw/zinc/08/06/14/572080614.db2.gz	KUWYCVBYGVREOW-LBPRGKRZSA-N	0	0	193.290	3.004	10	0		AGAERN
CC[C@H]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O	82658817	572081023	/nfs/dbraw/zinc/08/10/23/572081023.db2.gz	KHXTTYXNQIGOMX-CYDGBPFRSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1occ(-c2ccccc2)c1C=O	34440120	572081141	/nfs/dbraw/zinc/08/11/41/572081141.db2.gz	DPGZKHDPUHBTSN-UHFFFAOYSA-N	0	0	186.210	3.068	10	0		AGAERN
CCc1c(O)cc(C)c(Cl)c1C	34426889	572082053	/nfs/dbraw/zinc/08/20/53/572082053.db2.gz	WBQFGBDPSGGESL-UHFFFAOYSA-N	0	0	184.666	3.225	10	0		AGAERN
CC(C)c1cccc(C=O)c1Cl	34425849	572081293	/nfs/dbraw/zinc/08/12/93/572081293.db2.gz	KBPXJXMWRQSODW-UHFFFAOYSA-N	0	0	182.650	3.276	10	0		AGAERN
CCC(CC)[C@H](O)C1CCCCC1	82676737	572081376	/nfs/dbraw/zinc/08/13/76/572081376.db2.gz	HILAYJSZBQWWID-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)C[C@H](C)C[C@@H]1CCCC1=O	300931668	572082894	/nfs/dbraw/zinc/08/28/94/572082894.db2.gz	NVKXFAYEACQMIS-QWRGUYRKSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)[C@@H](O)C[C@H](C)c1ccccc1	82678573	572081601	/nfs/dbraw/zinc/08/16/01/572081601.db2.gz	IQZMBQUKHJASHV-AAEUAGOBSA-N	0	0	192.302	3.197	10	0		AGAERN
CCC(CC)[C@@H](O)c1cccc(F)c1	82676788	572081618	/nfs/dbraw/zinc/08/16/18/572081618.db2.gz	FNEJUMFUNDWUSN-GFCCVEGCSA-N	0	0	196.265	3.295	10	0		AGAERN
CC(C)(C)Nc1ccccc1N=O	34449399	572081693	/nfs/dbraw/zinc/08/16/93/572081693.db2.gz	KFLFYLWGUZXMFN-UHFFFAOYSA-N	0	0	178.235	3.295	10	0		AGAERN
Cc1ccc(-c2ccncc2)s1	34426252	572081747	/nfs/dbraw/zinc/08/17/47/572081747.db2.gz	KBPMUFYKFRLJDV-UHFFFAOYSA-N	0	0	175.256	3.119	10	0		AGAERN
CCCc1ccc(O)c2c(C)coc12	34438376	572081763	/nfs/dbraw/zinc/08/17/63/572081763.db2.gz	RHONQJPQCFTLAJ-UHFFFAOYSA-N	0	0	190.242	3.399	10	0		AGAERN
CCC(CC)[C@@H](O)c1ccccc1C	82676834	572081774	/nfs/dbraw/zinc/08/17/74/572081774.db2.gz	STAZURZPAHIKQA-CYBMUJFWSA-N	0	0	192.302	3.465	10	0		AGAERN
CCC[C@@H](O)c1ccc([C@H]2C[C@@H]2C)o1	82677056	572081785	/nfs/dbraw/zinc/08/17/85/572081785.db2.gz	URLVFNCVHOPTIJ-LPEHRKFASA-N	0	0	194.274	3.237	10	0		AGAERN
CC(C)[C@@H](O)c1ccc([C@@H]2C[C@@H]2C)o1	82677140	572081790	/nfs/dbraw/zinc/08/17/90/572081790.db2.gz	PEUXUYXLRAVQLL-YGOYTEALSA-N	0	0	194.274	3.092	10	0		AGAERN
CC(C)(C)C[C@@H](O)CC1CCCC1	82673657	572081884	/nfs/dbraw/zinc/08/18/84/572081884.db2.gz	YUMKRVPPLDQBBC-NSHDSACASA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@@H](O)c1ccc([C@@H]2C[C@@H]2C)o1	82677054	572081886	/nfs/dbraw/zinc/08/18/86/572081886.db2.gz	URLVFNCVHOPTIJ-IVZWLZJFSA-N	0	0	194.274	3.237	10	0		AGAERN
CCCC[C@H](O)c1cc(C)ccc1F	82679135	572082002	/nfs/dbraw/zinc/08/20/02/572082002.db2.gz	SFTLSKGILZLIKX-LBPRGKRZSA-N	0	0	196.265	3.358	10	0		AGAERN
CCCCCC[C@@](C)(N)C(F)(F)F	82670923	572082138	/nfs/dbraw/zinc/08/21/38/572082138.db2.gz	HXOSCHRZJIRVMV-MRVPVSSYSA-N	0	0	197.244	3.237	10	0		AGAERN
CC(C)(C)C[C@H](O)CC1CCCC1	82673655	572082184	/nfs/dbraw/zinc/08/21/84/572082184.db2.gz	YUMKRVPPLDQBBC-LLVKDONJSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(CC)[C@@H](O)c1cccc(C)c1	82676676	572082301	/nfs/dbraw/zinc/08/23/01/572082301.db2.gz	VHBJAEOYBAHGDZ-CYBMUJFWSA-N	0	0	192.302	3.465	10	0		AGAERN
CC(C)(C)OC(=O)CCC1CCCC1	82671028	572082454	/nfs/dbraw/zinc/08/24/54/572082454.db2.gz	AEZCAMYCTRFSIV-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
C/C=C\COc1cccc(CC)c1	214888989	572082477	/nfs/dbraw/zinc/08/24/77/572082477.db2.gz	JOHNTDGUTVQFOZ-HYXAFXHYSA-N	0	0	176.259	3.204	10	0		AGAERN
CCC(CC)[C@H](O)c1cccc(C)c1	82676675	572082515	/nfs/dbraw/zinc/08/25/15/572082515.db2.gz	VHBJAEOYBAHGDZ-ZDUSSCGKSA-N	0	0	192.302	3.465	10	0		AGAERN
CC[C@H](C)C[C@@H](O)CC(C)(C)C	82673923	572082595	/nfs/dbraw/zinc/08/25/95/572082595.db2.gz	BBULFSGEEAYBTJ-VHSXEESVSA-N	0	0	172.312	3.220	10	0		AGAERN
CCc1ccccc1[C@@H](O)CC(C)C	82677930	572082642	/nfs/dbraw/zinc/08/26/42/572082642.db2.gz	NOIFVCLCHFPTQZ-ZDUSSCGKSA-N	0	0	192.302	3.329	10	0		AGAERN
CCC(=O)c1cccc(CC(C)C)c1	82667911	572083348	/nfs/dbraw/zinc/08/33/48/572083348.db2.gz	KPLKUGIPTDVVFT-UHFFFAOYSA-N	0	0	190.286	3.478	10	0		AGAERN
CCC(CC)[C@@H](O)C1CCCCC1	82676740	572082694	/nfs/dbraw/zinc/08/26/94/572082694.db2.gz	HILAYJSZBQWWID-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H](CC(C)=O)C(C)(C)C	34464501	572082842	/nfs/dbraw/zinc/08/28/42/572082842.db2.gz	VBRXBFHILANDSV-VIFPVBQESA-N	0	0	156.269	3.038	10	0		AGAERN
CCC(CC)[C@H](O)c1cccc(F)c1	82676786	572082925	/nfs/dbraw/zinc/08/29/25/572082925.db2.gz	FNEJUMFUNDWUSN-LBPRGKRZSA-N	0	0	196.265	3.295	10	0		AGAERN
CC[C@@H](C)C[C@@H](O)CC(C)(C)C	82673921	572082929	/nfs/dbraw/zinc/08/29/29/572082929.db2.gz	BBULFSGEEAYBTJ-NXEZZACHSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCC(=O)CC(C)(C)C	82673518	572082991	/nfs/dbraw/zinc/08/29/91/572082991.db2.gz	JAODHAABODLKEG-UHFFFAOYSA-N	0	0	156.269	3.182	10	0		AGAERN
CCCCCC[C@](C)(N)C(F)(F)F	82670921	572083035	/nfs/dbraw/zinc/08/30/35/572083035.db2.gz	HXOSCHRZJIRVMV-QMMMGPOBSA-N	0	0	197.244	3.237	10	0		AGAERN
CC[C@@H](C)CC(=O)CC(C)(C)C	82673524	572083074	/nfs/dbraw/zinc/08/30/74/572083074.db2.gz	RQFWQDGKPZOIQT-SECBINFHSA-N	0	0	170.296	3.428	10	0		AGAERN
CC(C)[C@H](O)C[C@H](C)c1ccccc1	82678571	572083119	/nfs/dbraw/zinc/08/31/19/572083119.db2.gz	IQZMBQUKHJASHV-WCQYABFASA-N	0	0	192.302	3.197	10	0		AGAERN
CC[C@H](C)C[C@](N)(CC)C(F)(F)F	82670803	572083149	/nfs/dbraw/zinc/08/31/49/572083149.db2.gz	CVSJALZCTPWBCC-JGVFFNPUSA-N	0	0	197.244	3.092	10	0		AGAERN
CCC(CC)[C@@H](O)c1ccccc1F	82676818	572083179	/nfs/dbraw/zinc/08/31/79/572083179.db2.gz	ITVJEOCLBHTDEN-GFCCVEGCSA-N	0	0	196.265	3.295	10	0		AGAERN
CCCC[C@@H](O)c1cc(C)ccc1F	82679137	572083232	/nfs/dbraw/zinc/08/32/32/572083232.db2.gz	SFTLSKGILZLIKX-GFCCVEGCSA-N	0	0	196.265	3.358	10	0		AGAERN
CC(C)[C@H](O)C[C@@H](C)c1ccccc1	82678567	572083237	/nfs/dbraw/zinc/08/32/37/572083237.db2.gz	IQZMBQUKHJASHV-DGCLKSJQSA-N	0	0	192.302	3.197	10	0		AGAERN
Cc1[nH]c2c(Cl)cc(N)cc2c1C	34476488	572083263	/nfs/dbraw/zinc/08/32/63/572083263.db2.gz	ZXRMJPJCCNJUMV-UHFFFAOYSA-N	0	0	194.665	3.020	10	0		AGAERN
CC(C)=C[C@H]1CCc2cc(O)ccc21	34455190	572083265	/nfs/dbraw/zinc/08/32/65/572083265.db2.gz	HHYBDAOAOPIWPZ-SNVBAGLBSA-N	0	0	188.270	3.388	10	0		AGAERN
CCC(CC)[C@H](O)c1ccccc1F	82676815	572083294	/nfs/dbraw/zinc/08/32/94/572083294.db2.gz	ITVJEOCLBHTDEN-LBPRGKRZSA-N	0	0	196.265	3.295	10	0		AGAERN
CCC(CC)[C@H](O)c1ccccc1C	82676832	572083536	/nfs/dbraw/zinc/08/35/36/572083536.db2.gz	STAZURZPAHIKQA-ZDUSSCGKSA-N	0	0	192.302	3.465	10	0		AGAERN
CC[C@H](C)C[C@H](O)CC(C)(C)C	82673919	572083574	/nfs/dbraw/zinc/08/35/74/572083574.db2.gz	BBULFSGEEAYBTJ-UWVGGRQHSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@H](C)C[C@@](N)(CC)C(F)(F)F	82670798	572083641	/nfs/dbraw/zinc/08/36/41/572083641.db2.gz	CVSJALZCTPWBCC-YUMQZZPRSA-N	0	0	197.244	3.092	10	0		AGAERN
CC[C@@H](C)C[C@H](O)CC(C)(C)C	82673917	572083665	/nfs/dbraw/zinc/08/36/65/572083665.db2.gz	BBULFSGEEAYBTJ-ZJUUUORDSA-N	0	0	172.312	3.220	10	0		AGAERN
CC(C)(C)CCCn1ccc(C=O)c1	300931629	572083684	/nfs/dbraw/zinc/08/36/84/572083684.db2.gz	VBDFJFCDLQLASO-UHFFFAOYSA-N	0	0	193.290	3.127	10	0		AGAERN
CCCCC1(CCCC)OCCO1	34455162	572083746	/nfs/dbraw/zinc/08/37/46/572083746.db2.gz	AYLMGBFOFWIFKO-UHFFFAOYSA-N	0	0	186.295	3.110	10	0		AGAERN
CCC[C@H](O)c1ccc([C@H]2C[C@@H]2C)o1	82677055	572083762	/nfs/dbraw/zinc/08/37/62/572083762.db2.gz	URLVFNCVHOPTIJ-GUBZILKMSA-N	0	0	194.274	3.237	10	0		AGAERN
CC(C)[C@@H](O)c1ccc([C@H]2C[C@@H]2C)o1	82677134	572083783	/nfs/dbraw/zinc/08/37/83/572083783.db2.gz	PEUXUYXLRAVQLL-HOTUBEGUSA-N	0	0	194.274	3.092	10	0		AGAERN
CC[C@H](CC(C)=O)C(C)(C)C	34464502	572083997	/nfs/dbraw/zinc/08/39/97/572083997.db2.gz	VBRXBFHILANDSV-SECBINFHSA-N	0	0	156.269	3.038	10	0		AGAERN
CC1(C)CNc2ccc(Cl)cc2C1	34450502	572084166	/nfs/dbraw/zinc/08/41/66/572084166.db2.gz	BWJAOZJUTUJSQH-UHFFFAOYSA-N	0	0	195.693	3.334	10	0		AGAERN
CCCC(=O)c1cnc2ccccc2c1	34465390	572084184	/nfs/dbraw/zinc/08/41/84/572084184.db2.gz	VZTQSYSHWZQRHA-UHFFFAOYSA-N	0	0	199.253	3.218	10	0		AGAERN
CC(C)=C[C@@H]1CCc2cc(O)ccc21	34455189	572084259	/nfs/dbraw/zinc/08/42/59/572084259.db2.gz	HHYBDAOAOPIWPZ-JTQLQIEISA-N	0	0	188.270	3.388	10	0		AGAERN
CCCCCC[C@@H](NC)C(F)(F)F	82717445	572084272	/nfs/dbraw/zinc/08/42/72/572084272.db2.gz	KEFHZWPUKGUOCF-MRVPVSSYSA-N	0	0	197.244	3.107	10	0		AGAERN
CC(C)C[C@@H](C)C[C@@H]1CCCC1=O	300931663	572084450	/nfs/dbraw/zinc/08/44/50/572084450.db2.gz	NVKXFAYEACQMIS-MNOVXSKESA-N	0	0	182.307	3.428	10	0		AGAERN
CCCNc1ccc(F)cc1OCC	37092201	572084539	/nfs/dbraw/zinc/08/45/39/572084539.db2.gz	BZYOHXZYRMQRIB-UHFFFAOYSA-N	0	0	197.253	3.046	10	0		AGAERN
CC(C)C[C@@H](C)C[C@H]1CCCC1=O	300931658	572084553	/nfs/dbraw/zinc/08/45/53/572084553.db2.gz	NVKXFAYEACQMIS-GHMZBOCLSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)C[C@H](C)C[C@H]1CCCC1=O	300931671	572084560	/nfs/dbraw/zinc/08/45/60/572084560.db2.gz	NVKXFAYEACQMIS-WDEREUQCSA-N	0	0	182.307	3.428	10	0		AGAERN
CCCCC[C@H](O)c1ccc(C)nc1	82679972	572084571	/nfs/dbraw/zinc/08/45/71/572084571.db2.gz	PVYBLULBOHWSHW-LBPRGKRZSA-N	0	0	193.290	3.004	10	0		AGAERN
CC(C)C[C@@H](O)[C@@H](C)c1ccccc1	82679696	572084650	/nfs/dbraw/zinc/08/46/50/572084650.db2.gz	HNDSMPYCJAFBKU-WCQYABFASA-N	0	0	192.302	3.197	10	0		AGAERN
CC(C)C[C@@H](O)[C@H](C)c1ccccc1	82679698	572084630	/nfs/dbraw/zinc/08/46/30/572084630.db2.gz	HNDSMPYCJAFBKU-DGCLKSJQSA-N	0	0	192.302	3.197	10	0		AGAERN
CCC[C@H](C)[C@@H](O)c1cccc(C)c1	82679781	572084753	/nfs/dbraw/zinc/08/47/53/572084753.db2.gz	GLQWGUUQTJYANA-WCQYABFASA-N	0	0	192.302	3.465	10	0		AGAERN
CCC[C@H](C)[C@H](O)c1ccccc1F	82679895	572084836	/nfs/dbraw/zinc/08/48/36/572084836.db2.gz	UNSHKBYDNOFTFZ-CABZTGNLSA-N	0	0	196.265	3.295	10	0		AGAERN
CCC[C@H](C)[C@H](O)c1ccccc1C	82679903	572084924	/nfs/dbraw/zinc/08/49/24/572084924.db2.gz	AZUSXXBBWKEIAA-AAEUAGOBSA-N	0	0	192.302	3.465	10	0		AGAERN
C/C=C/c1cc2ccccc2o1	34496425	572084982	/nfs/dbraw/zinc/08/49/82/572084982.db2.gz	CKGUAQJNKKPYQU-GORDUTHDSA-N	0	0	158.200	3.466	10	0		AGAERN
CCSc1cnc2ccccc2c1	34484644	572085146	/nfs/dbraw/zinc/08/51/46/572085146.db2.gz	SLCTZSDWERJLKC-UHFFFAOYSA-N	0	0	189.283	3.347	10	0		AGAERN
CCC[C@@H](C)[C@@H](O)c1ccccc1F	82679896	572085243	/nfs/dbraw/zinc/08/52/43/572085243.db2.gz	UNSHKBYDNOFTFZ-BXKDBHETSA-N	0	0	196.265	3.295	10	0		AGAERN
CCc1cc2cc(OC)c(C)cc2[nH]1	34480160	572085418	/nfs/dbraw/zinc/08/54/18/572085418.db2.gz	OJPBBHNWIQVELB-UHFFFAOYSA-N	0	0	189.258	3.047	10	0		AGAERN
CCC[C@H](C)[C@@H](O)c1ccccc1C	82679905	572085441	/nfs/dbraw/zinc/08/54/41/572085441.db2.gz	AZUSXXBBWKEIAA-WCQYABFASA-N	0	0	192.302	3.465	10	0		AGAERN
CCC[C@@H](C)[C@H](O)C1CCCCC1	82679838	572085632	/nfs/dbraw/zinc/08/56/32/572085632.db2.gz	QNSWZKBOYNKIRE-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@@H](C)[C@@H](O)c1ccccc1C	82679904	572085651	/nfs/dbraw/zinc/08/56/51/572085651.db2.gz	AZUSXXBBWKEIAA-DGCLKSJQSA-N	0	0	192.302	3.465	10	0		AGAERN
Cc1cc2c(c(C)c1F)CC[C@@H](C)N2	34477906	572085664	/nfs/dbraw/zinc/08/56/64/572085664.db2.gz	CLLWAXIUZDEBMY-MRVPVSSYSA-N	0	0	193.265	3.189	10	0		AGAERN
CCC[C@@H](C)[C@@H](O)C1CCCCC1	82679840	572085672	/nfs/dbraw/zinc/08/56/72/572085672.db2.gz	QNSWZKBOYNKIRE-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@@H](C)[C@@H](O)c1cccc(F)c1	82679880	572085704	/nfs/dbraw/zinc/08/57/04/572085704.db2.gz	WEQWCNYAAANTDH-BXKDBHETSA-N	0	0	196.265	3.295	10	0		AGAERN
CC(C)C[C@H](O)[C@H](C)c1ccccc1	82679697	572085782	/nfs/dbraw/zinc/08/57/82/572085782.db2.gz	HNDSMPYCJAFBKU-YPMHNXCESA-N	0	0	192.302	3.197	10	0		AGAERN
CCC[C@H](C)[C@H](O)C1CCCCC1	82679839	572085793	/nfs/dbraw/zinc/08/57/93/572085793.db2.gz	QNSWZKBOYNKIRE-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCCC[C@@H](O)c1ccc(C)nc1	82679973	572085923	/nfs/dbraw/zinc/08/59/23/572085923.db2.gz	PVYBLULBOHWSHW-GFCCVEGCSA-N	0	0	193.290	3.004	10	0		AGAERN
CCC[C@@H](C)[C@H](O)c1cccc(F)c1	82679878	572086038	/nfs/dbraw/zinc/08/60/38/572086038.db2.gz	WEQWCNYAAANTDH-SKDRFNHKSA-N	0	0	196.265	3.295	10	0		AGAERN
Cc1cc2c(c(C)c1F)CC[C@H](C)N2	34477905	572086084	/nfs/dbraw/zinc/08/60/84/572086084.db2.gz	CLLWAXIUZDEBMY-QMMMGPOBSA-N	0	0	193.265	3.189	10	0		AGAERN
CCCC[C@@H](C)c1nncn1C(C)C	300932203	572086314	/nfs/dbraw/zinc/08/63/14/572086314.db2.gz	MRABRRMOMVEANT-SNVBAGLBSA-N	0	0	195.310	3.153	10	0		AGAERN
CCC[C@H](C)[C@H](O)c1cccc(F)c1	82679879	572086316	/nfs/dbraw/zinc/08/63/16/572086316.db2.gz	WEQWCNYAAANTDH-CABZTGNLSA-N	0	0	196.265	3.295	10	0		AGAERN
CCC[C@@H](C)[C@H](O)c1cccc(C)c1	82679778	572086368	/nfs/dbraw/zinc/08/63/68/572086368.db2.gz	GLQWGUUQTJYANA-YPMHNXCESA-N	0	0	192.302	3.465	10	0		AGAERN
CCC[C@H](C)[C@@H](O)c1cccc(F)c1	82679881	572086560	/nfs/dbraw/zinc/08/65/60/572086560.db2.gz	WEQWCNYAAANTDH-JOYOIKCWSA-N	0	0	196.265	3.295	10	0		AGAERN
CCC[C@@H](C)[C@H](O)c1ccccc1F	82679894	572086420	/nfs/dbraw/zinc/08/64/20/572086420.db2.gz	UNSHKBYDNOFTFZ-SKDRFNHKSA-N	0	0	196.265	3.295	10	0		AGAERN
CCC[C@]1(C)CC(=O)C[C@@H](C)C1	34479195	572086479	/nfs/dbraw/zinc/08/64/79/572086479.db2.gz	FNHYHFHUBYFBBI-KOLCDFICSA-N	0	0	168.280	3.182	10	0		AGAERN
CCc1cc(NCCCF)ccc1C	300932222	572086843	/nfs/dbraw/zinc/08/68/43/572086843.db2.gz	WFAQZIWWLBNYGM-UHFFFAOYSA-N	0	0	195.281	3.329	10	0		AGAERN
Cc1c[nH]c(C)c1-c1ccccc1	34479303	572087049	/nfs/dbraw/zinc/08/70/49/572087049.db2.gz	BYEPOZNPCLLUKH-UHFFFAOYSA-N	0	0	171.243	3.299	10	0		AGAERN
CCOc1cc2cc(Cl)ccc2[nH]1	34480532	572087192	/nfs/dbraw/zinc/08/71/92/572087192.db2.gz	XGYKGVLSZTTZDP-UHFFFAOYSA-N	0	0	195.649	3.220	10	0		AGAERN
CC(=O)Sc1ccc(C(C)C)cc1	79669289	572088526	/nfs/dbraw/zinc/08/85/26/572088526.db2.gz	QMBWRQVNMADNBE-UHFFFAOYSA-N	0	0	194.299	3.449	10	0		AGAERN
C=C(F)c1ccc2[nH]ccc2c1	34515249	572089081	/nfs/dbraw/zinc/08/90/81/572089081.db2.gz	LNICFXDAXPDANK-UHFFFAOYSA-N	0	0	161.179	3.108	10	0		AGAERN
CC1=C(/C=C/CCO)C(C)(C)CCC1	34501183	572089172	/nfs/dbraw/zinc/08/91/72/572089172.db2.gz	AWQGUQFPTZSYBF-XBXARRHUSA-N	0	0	194.318	3.452	10	0		AGAERN
CCC/C=C/[C@@H]1CCCCC1=O	34513852	572089180	/nfs/dbraw/zinc/08/91/80/572089180.db2.gz	JVKBUJNZSYXZAW-LJJSCBMDSA-N	0	0	166.264	3.102	10	0		AGAERN
Cc1cccc([C@@H]2C=CCC2)c1N	34519062	572089192	/nfs/dbraw/zinc/08/91/92/572089192.db2.gz	HJYBRKUWFUFNPM-SNVBAGLBSA-N	0	0	173.259	3.011	10	0		AGAERN
CCCC[C@@]12C=C[C@@H](CCC1=O)C2	34513121	572089281	/nfs/dbraw/zinc/08/92/81/572089281.db2.gz	NSUAOSVIFPSCML-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
Oc1ccc([C@H]2C=CSCC2)cc1	34500952	572089395	/nfs/dbraw/zinc/08/93/95/572089395.db2.gz	OPLQKHHZVHDTAX-JTQLQIEISA-N	0	0	192.283	3.126	10	0		AGAERN
CCCCOCc1ccc(Cl)nc1	37093549	572089702	/nfs/dbraw/zinc/08/97/02/572089702.db2.gz	RADAXYIRJGEQGH-UHFFFAOYSA-N	0	0	199.681	3.052	10	0		AGAERN
CC(C)=C1CC[C@]2(C)C(=O)CC[C@H]12	34534159	572089976	/nfs/dbraw/zinc/08/99/76/572089976.db2.gz	FYHCIHSODKFBCG-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)[C@@H](O)CCCC1CCCC1	82735638	572090332	/nfs/dbraw/zinc/09/03/32/572090332.db2.gz	IABUQWKYHIRIIV-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@H]1CC(CC(C)(C)C)=C[C@@H](O)C1	713212014	572090632	/nfs/dbraw/zinc/09/06/32/572090632.db2.gz	UBLWISQNLXLZQZ-KOLCDFICSA-N	0	0	182.307	3.140	10	0		AGAERN
CCCc1cc(O)cc2ccccc12	34538779	572090888	/nfs/dbraw/zinc/09/08/88/572090888.db2.gz	FVMXPKSAJZRIKU-UHFFFAOYSA-N	0	0	186.254	3.498	10	0		AGAERN
CCCC[C@H](C)[C@]1(O)C[C@H]1CCC	300934661	572091172	/nfs/dbraw/zinc/09/11/72/572091172.db2.gz	MZIXEYUHXXQSSB-QJPTWQEYSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@H](C)[C@@]1(O)C[C@@H]1CCC	300934665	572091197	/nfs/dbraw/zinc/09/11/97/572091197.db2.gz	MZIXEYUHXXQSSB-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@H](C)[C@]1(O)C[C@@H]1CCC	300934663	572091373	/nfs/dbraw/zinc/09/13/73/572091373.db2.gz	MZIXEYUHXXQSSB-SDDRHHMPSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@]1(C2=CCCC2)CCCC1=O	34527981	572091457	/nfs/dbraw/zinc/09/14/57/572091457.db2.gz	RHASYJBTXITKJN-LBPRGKRZSA-N	0	0	178.275	3.246	10	0		AGAERN
C[C@@H]1CC(CC(C)(C)C)=C[C@H](O)C1	713212015	572091483	/nfs/dbraw/zinc/09/14/83/572091483.db2.gz	UBLWISQNLXLZQZ-MWLCHTKSSA-N	0	0	182.307	3.140	10	0		AGAERN
CC[C@]1(C2=CCCC2)CCCC1=O	34527980	572091505	/nfs/dbraw/zinc/09/15/05/572091505.db2.gz	RHASYJBTXITKJN-GFCCVEGCSA-N	0	0	178.275	3.246	10	0		AGAERN
CC(C)[C@H](O)CCCC1CCCC1	82735636	572091519	/nfs/dbraw/zinc/09/15/19/572091519.db2.gz	IABUQWKYHIRIIV-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1ccc(C)c(-c2ncc[nH]2)c1C	43075350	572091789	/nfs/dbraw/zinc/09/17/89/572091789.db2.gz	GPXQRUNOYNXODZ-UHFFFAOYSA-N	0	0	186.258	3.002	10	0		AGAERN
C[C@H]1CC(CC(C)(C)C)=C[C@H](O)C1	713212012	572091906	/nfs/dbraw/zinc/09/19/06/572091906.db2.gz	UBLWISQNLXLZQZ-GXSJLCMTSA-N	0	0	182.307	3.140	10	0		AGAERN
C[C@H]1CC(CC(C)(C)C)=C[C@@H](O)C1	713212016	572092038	/nfs/dbraw/zinc/09/20/38/572092038.db2.gz	UBLWISQNLXLZQZ-ONGXEEELSA-N	0	0	182.307	3.140	10	0		AGAERN
CC(=O)CC/C(C)=C/c1ccccc1	34561770	572092067	/nfs/dbraw/zinc/09/20/67/572092067.db2.gz	XVNOAJAMHLIWKU-ZHACJKMWSA-N	0	0	188.270	3.459	10	0		AGAERN
CSc1cnc(Cl)c(Cl)c1	34541815	572092552	/nfs/dbraw/zinc/09/25/52/572092552.db2.gz	BAYSIKMUOGEESD-UHFFFAOYSA-N	0	0	194.086	3.110	10	0		AGAERN
CC(C)C[C@@H](C)c1sccc1N	34549372	572092894	/nfs/dbraw/zinc/09/28/94/572092894.db2.gz	HEIXUXGCYZHZDM-MRVPVSSYSA-N	0	0	183.320	3.480	10	0		AGAERN
CC(C)C[C@H](C)c1sccc1N	34549373	572092956	/nfs/dbraw/zinc/09/29/56/572092956.db2.gz	HEIXUXGCYZHZDM-QMMMGPOBSA-N	0	0	183.320	3.480	10	0		AGAERN
CCCOc1ccc2cccnc2c1	34552311	572093731	/nfs/dbraw/zinc/09/37/31/572093731.db2.gz	FYZDVJZJGFUNPI-UHFFFAOYSA-N	0	0	187.242	3.024	10	0		AGAERN
C=C=CC(C)(C)[C@@H](O)c1ccccc1	34545945	572093920	/nfs/dbraw/zinc/09/39/20/572093920.db2.gz	NRXCLLUXYFKXJN-LBPRGKRZSA-N	0	0	188.270	3.087	10	0		AGAERN
CC1(C)C=Cc2cc(F)ccc2O1	34540641	572093927	/nfs/dbraw/zinc/09/39/27/572093927.db2.gz	BYPMQMYZEAUWGG-UHFFFAOYSA-N	0	0	178.206	3.010	10	0		AGAERN
CCC(C)(C)C[C@@H]1CC[C@H](O)[C@@H]1C	713212453	572093975	/nfs/dbraw/zinc/09/39/75/572093975.db2.gz	WHJONXRCIJKWCB-VWYCJHECSA-N	0	0	184.323	3.220	10	0		AGAERN
C=C=CC(C)(C)[C@H](O)c1ccccc1	34545944	572094039	/nfs/dbraw/zinc/09/40/39/572094039.db2.gz	NRXCLLUXYFKXJN-GFCCVEGCSA-N	0	0	188.270	3.087	10	0		AGAERN
CCC(C)(C)C[C@@H]1CC[C@@H](O)[C@H]1C	713212451	572094132	/nfs/dbraw/zinc/09/41/32/572094132.db2.gz	WHJONXRCIJKWCB-GARJFASQSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC(C)(C)C[C@@H]1CC[C@@H](O)[C@@H]1C	713212452	572094159	/nfs/dbraw/zinc/09/41/59/572094159.db2.gz	WHJONXRCIJKWCB-OUAUKWLOSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(=O)CCC[C@H]1CCC(F)(F)C1	300935110	572094222	/nfs/dbraw/zinc/09/42/22/572094222.db2.gz	MRQHXBPARYUVHB-VIFPVBQESA-N	0	0	190.233	3.181	10	0		AGAERN
CCC(C)(C)C[C@@H]1CC[C@H](O)[C@H]1C	713212450	572094371	/nfs/dbraw/zinc/09/43/71/572094371.db2.gz	WHJONXRCIJKWCB-DCAQKATOSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1ccc(-c2cncs2)cc1	34578986	572094737	/nfs/dbraw/zinc/09/47/37/572094737.db2.gz	LOIFPOZPPAJZOY-UHFFFAOYSA-N	0	0	175.256	3.119	10	0		AGAERN
CC(C)c1ccc2c(ccn2C)c1	34567475	572094744	/nfs/dbraw/zinc/09/47/44/572094744.db2.gz	XGKIIWVDFCCKSQ-UHFFFAOYSA-N	0	0	173.259	3.302	10	0		AGAERN
CC1(C)CCC[C@@]2(C)CC[C@H](O)C=C12	34565982	572094807	/nfs/dbraw/zinc/09/48/07/572094807.db2.gz	LBWYEHJYSKGFCW-GWCFXTLKSA-N	0	0	194.318	3.284	10	0		AGAERN
CCCc1cc(O)c2ccccc2c1	34568090	572094853	/nfs/dbraw/zinc/09/48/53/572094853.db2.gz	VIOIAIWLJUNUSH-UHFFFAOYSA-N	0	0	186.254	3.498	10	0		AGAERN
CCC[C@H](C)C[C@H](C)C[C@H](C)O	34582932	572095098	/nfs/dbraw/zinc/09/50/98/572095098.db2.gz	BYULJDHGBDPJTA-DCAQKATOSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCC[C@@H]1CCCC(=O)[C@H]1C	34582834	572095203	/nfs/dbraw/zinc/09/52/03/572095203.db2.gz	KLVBKWDZNDTWHB-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
C[C@@H]1CC/C=C/CCCCC1=O	34582788	572095258	/nfs/dbraw/zinc/09/52/58/572095258.db2.gz	IEHIIMFWHTWLGO-XCRNYIDWSA-N	0	0	166.264	3.102	10	0		AGAERN
Cc1cc(C(C)C)cc(C)c1C=O	34568632	572095284	/nfs/dbraw/zinc/09/52/84/572095284.db2.gz	AJQQOAYOYHVFEY-UHFFFAOYSA-N	0	0	176.259	3.239	10	0		AGAERN
CC(C)=C(C)CNc1ccccc1	34582988	572095320	/nfs/dbraw/zinc/09/53/20/572095320.db2.gz	OPDDVZZYWLUQQG-UHFFFAOYSA-N	0	0	175.275	3.455	10	0		AGAERN
CC(C)C[C@H](C)CC(=O)CC1CC1	300933504	572095684	/nfs/dbraw/zinc/09/56/84/572095684.db2.gz	NZLAEZGTRUNFBY-JTQLQIEISA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)(C)c1c[nH]nc1C(C)(C)C	34577325	572095746	/nfs/dbraw/zinc/09/57/46/572095746.db2.gz	RMABKPXZSLKBEG-UHFFFAOYSA-N	0	0	180.295	3.005	10	0		AGAERN
CC(C)C[C@@H](C)CC(=O)CC1CC1	300933505	572095754	/nfs/dbraw/zinc/09/57/54/572095754.db2.gz	NZLAEZGTRUNFBY-SNVBAGLBSA-N	0	0	182.307	3.428	10	0		AGAERN
Cc1cc(C)c2ccc(C=O)cc2c1	34571188	572095900	/nfs/dbraw/zinc/09/59/00/572095900.db2.gz	OYTASAOKNCICAR-UHFFFAOYSA-N	0	0	184.238	3.269	10	0		AGAERN
C[C@H]1CC/C=C/CCCCC1=O	34582790	572096306	/nfs/dbraw/zinc/09/63/06/572096306.db2.gz	IEHIIMFWHTWLGO-YWNRKNDBSA-N	0	0	166.264	3.102	10	0		AGAERN
CCCCCOc1ccc(N)cc1C	37113872	572096408	/nfs/dbraw/zinc/09/64/08/572096408.db2.gz	BIMDCHADBQILAJ-UHFFFAOYSA-N	0	0	193.290	3.146	10	0		AGAERN
CC1=CC[C@]2(CC1)C(=O)CC[C@H]2C	34596703	572097102	/nfs/dbraw/zinc/09/71/02/572097102.db2.gz	LEFCVSOTHYWEPF-ZYHUDNBSSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1(C)CCc2ccccc2NC1	34589255	572097238	/nfs/dbraw/zinc/09/72/38/572097238.db2.gz	NIAPTOVSUODMHC-UHFFFAOYSA-N	0	0	175.275	3.071	10	0		AGAERN
CNc1ccc2ccccc2c1N=O	34588104	572097249	/nfs/dbraw/zinc/09/72/49/572097249.db2.gz	BTBLSOIHBQDNKA-UHFFFAOYSA-N	0	0	186.214	3.279	10	0		AGAERN
CCCCc1cc(C)c(O)c(C)c1	34589433	572097264	/nfs/dbraw/zinc/09/72/64/572097264.db2.gz	RQQYPGZACLPRDX-UHFFFAOYSA-N	0	0	178.275	3.352	10	0		AGAERN
CC1=CC[C@@]2(CC1)C(=O)CC[C@@H]2C	34596701	572097427	/nfs/dbraw/zinc/09/74/27/572097427.db2.gz	LEFCVSOTHYWEPF-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
CCCCc1cc(C)cc(C)c1O	34589431	572097511	/nfs/dbraw/zinc/09/75/11/572097511.db2.gz	UIXRDRQSWYSVNK-UHFFFAOYSA-N	0	0	178.275	3.352	10	0		AGAERN
CC1=CC[C@]2(CC1)C(=O)CC[C@@H]2C	34596704	572097781	/nfs/dbraw/zinc/09/77/81/572097781.db2.gz	LEFCVSOTHYWEPF-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
Oc1ccccc1[C@H]1C=CCCC1	34589228	572097893	/nfs/dbraw/zinc/09/78/93/572097893.db2.gz	NIZZSXXQUHXUDC-JTQLQIEISA-N	0	0	174.243	3.216	10	0		AGAERN
CCCCc1cccc(C)c1O	34589427	572098434	/nfs/dbraw/zinc/09/84/34/572098434.db2.gz	KUNNUNBSGQSGDY-UHFFFAOYSA-N	0	0	164.248	3.043	10	0		AGAERN
CC1=CC[C@H]2C(=O)CCCC[C@H]2C1	34592694	572098811	/nfs/dbraw/zinc/09/88/11/572098811.db2.gz	KKMUVUVPRCGZOP-WDEREUQCSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@H]1CCCC[C@@H]1C1(O)CC(C)C1	234045028	572098859	/nfs/dbraw/zinc/09/88/59/572098859.db2.gz	DZCLXECXBWIEQA-ZFQMDJOTSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1=CC[C@@]2(CC1)C(=O)CC[C@H]2C	34596702	572099022	/nfs/dbraw/zinc/09/90/22/572099022.db2.gz	LEFCVSOTHYWEPF-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)=C(C)Cc1cc(F)ccc1O	34611598	572099473	/nfs/dbraw/zinc/09/94/73/572099473.db2.gz	FIUQFUKJIYVSCR-UHFFFAOYSA-N	0	0	194.249	3.430	10	0		AGAERN
CC(C)[C@@H]1CC[C@H](O)[C@@H](C(C)C)C1	17149228	572099503	/nfs/dbraw/zinc/09/95/03/572099503.db2.gz	DHKUSCSRSVCWJM-UTUOFQBUSA-N	0	0	184.323	3.076	10	0		AGAERN
C=Cc1ccc(OCCC)c(OC)c1	82762146	572099882	/nfs/dbraw/zinc/09/98/82/572099882.db2.gz	QKIFULVUNCOBAS-UHFFFAOYSA-N	0	0	192.258	3.127	10	0		AGAERN
CCC(CC)CNc1ccc(O)cc1	37131867	572099951	/nfs/dbraw/zinc/09/99/51/572099951.db2.gz	GEBORESMGNQJSU-UHFFFAOYSA-N	0	0	193.290	3.240	10	0		AGAERN
C=Cc1cccc(OCCC)c1	82762065	572099975	/nfs/dbraw/zinc/09/99/75/572099975.db2.gz	OFCRXVIOIFVHFG-UHFFFAOYSA-N	0	0	162.232	3.118	10	0		AGAERN
CC(C)[C@@H]1CC[C@@H](O)[C@@H](C(C)C)C1	17149222	572100078	/nfs/dbraw/zinc/10/00/78/572100078.db2.gz	DHKUSCSRSVCWJM-IJLUTSLNSA-N	0	0	184.323	3.076	10	0		AGAERN
CC[C@H](C)[C@H](O)c1ccc(C)cc1	34615495	572100180	/nfs/dbraw/zinc/10/01/80/572100180.db2.gz	WJOMLFKHWPDQFE-JQWIXIFHSA-N	0	0	178.275	3.075	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1ccc(C)cc1	34615497	572100621	/nfs/dbraw/zinc/10/06/21/572100621.db2.gz	WJOMLFKHWPDQFE-CMPLNLGQSA-N	0	0	178.275	3.075	10	0		AGAERN
CC(C)C[C@H](C)[C@@H](O)CC(C)C	300936498	572100701	/nfs/dbraw/zinc/10/07/01/572100701.db2.gz	OHEYTKFSUNNJKM-QWRGUYRKSA-N	0	0	172.312	3.076	10	0		AGAERN
C=Cc1ccc(OC(C)C)c(OC)c1	82762077	572100833	/nfs/dbraw/zinc/10/08/33/572100833.db2.gz	FWRTYBUPUJYQAO-UHFFFAOYSA-N	0	0	192.258	3.125	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1ccc(C)cc1	34615496	572101222	/nfs/dbraw/zinc/10/12/22/572101222.db2.gz	WJOMLFKHWPDQFE-ZYHUDNBSSA-N	0	0	178.275	3.075	10	0		AGAERN
CC(C)C[C@H](C)[C@H](O)CC(C)C	300936501	572101416	/nfs/dbraw/zinc/10/14/16/572101416.db2.gz	OHEYTKFSUNNJKM-WDEREUQCSA-N	0	0	172.312	3.076	10	0		AGAERN
CC(C)CCCC(=O)C(C)(C)C	37117011	572101426	/nfs/dbraw/zinc/10/14/26/572101426.db2.gz	LYFCSEOTNMQOHY-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
C=Cc1ccc(OC)c(OCCC)c1	82762016	572101638	/nfs/dbraw/zinc/10/16/38/572101638.db2.gz	IXIJDYHTUAWNOG-UHFFFAOYSA-N	0	0	192.258	3.127	10	0		AGAERN
CCC[NH2+][C@@H](C)c1cccc([S-])c1	82761764	572101640	/nfs/dbraw/zinc/10/16/40/572101640.db2.gz	YSAWQSIRHPIZCZ-VIFPVBQESA-N	0	0	195.331	3.036	10	0		AGAERN
CCOCc1ccccc1NC(C)C	37160447	572101923	/nfs/dbraw/zinc/10/19/23/572101923.db2.gz	FUQGUCHXQDWUQV-UHFFFAOYSA-N	0	0	193.290	3.043	10	0		AGAERN
C[C@@H](Nc1ccccc1)[Si](C)(C)C	238403030	572102030	/nfs/dbraw/zinc/10/20/30/572102030.db2.gz	ZZZHQBNPLVMCCH-JTQLQIEISA-N	0	0	193.366	3.364	10	0		AGAERN
CC1=CC[C@@H]([C@]2(C)CCC2=O)CC1	34622094	572102076	/nfs/dbraw/zinc/10/20/76/572102076.db2.gz	HDQWFPKTRSFOQF-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@@H]1CCC[C@@H](C[C@@H](C)CO)C1	82764671	572102902	/nfs/dbraw/zinc/10/29/02/572102902.db2.gz	HYWHRUMVEFSDGG-UTUOFQBUSA-N	0	0	184.323	3.221	10	0		AGAERN
CC[C@H]1CCCC[C@@H]1C[C@@H](C)CO	82764666	572102906	/nfs/dbraw/zinc/10/29/06/572102906.db2.gz	HTNRUPAMBJCCKJ-GRYCIOLGSA-N	0	0	184.323	3.221	10	0		AGAERN
CCC[C@H](C)C1=CCC(=O)CC1	687782550	572102244	/nfs/dbraw/zinc/10/22/44/572102244.db2.gz	IBIHNYNAKFHFTP-VIFPVBQESA-N	0	0	166.264	3.102	10	0		AGAERN
CCCNc1ccccc1COCC	37160497	572102379	/nfs/dbraw/zinc/10/23/79/572102379.db2.gz	WURMJGUEMVIEMY-UHFFFAOYSA-N	0	0	193.290	3.045	10	0		AGAERN
CC[C@H]1CCC[C@H](C[C@@H](C)CO)C1	82764670	572102396	/nfs/dbraw/zinc/10/23/96/572102396.db2.gz	HYWHRUMVEFSDGG-GRYCIOLGSA-N	0	0	184.323	3.221	10	0		AGAERN
CCC[C@@H]1CCCCCCCC(=O)N1	34622485	572102871	/nfs/dbraw/zinc/10/28/71/572102871.db2.gz	KUNLVVAAJDYPIH-LLVKDONJSA-N	0	0	197.322	3.016	10	0		AGAERN
Nc1ccccc1[C@@H]1C[C@H]2CC[C@@H]1C2	34626445	572102473	/nfs/dbraw/zinc/10/24/73/572102473.db2.gz	GIEFILMUNVELJU-HOSYDEDBSA-N	0	0	187.286	3.172	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1C[C@@H](C)CO	82764665	572102873	/nfs/dbraw/zinc/10/28/73/572102873.db2.gz	HTNRUPAMBJCCKJ-IJLUTSLNSA-N	0	0	184.323	3.221	10	0		AGAERN
CC[C@H]1CCCC[C@H]1C[C@@H](C)CO	82764668	572102563	/nfs/dbraw/zinc/10/25/63/572102563.db2.gz	HTNRUPAMBJCCKJ-WOPDTQHZSA-N	0	0	184.323	3.221	10	0		AGAERN
Nc1ccccc1[C@H]1C[C@H]2CC[C@@H]1C2	34626446	572102880	/nfs/dbraw/zinc/10/28/80/572102880.db2.gz	GIEFILMUNVELJU-UMNHJUIQSA-N	0	0	187.286	3.172	10	0		AGAERN
CC[C@H](O)c1scc(C)c1Cl	234046679	572102776	/nfs/dbraw/zinc/10/27/76/572102776.db2.gz	YNWAFVLJOHTKAI-LURJTMIESA-N	0	0	190.695	3.153	10	0		AGAERN
CC[C@H]1CCC[C@@H](C[C@@H](C)CO)C1	82764672	572102777	/nfs/dbraw/zinc/10/27/77/572102777.db2.gz	HYWHRUMVEFSDGG-WOPDTQHZSA-N	0	0	184.323	3.221	10	0		AGAERN
CC[C@@H]1CCC[C@H](C[C@@H](C)CO)C1	82764669	572103113	/nfs/dbraw/zinc/10/31/13/572103113.db2.gz	HYWHRUMVEFSDGG-IJLUTSLNSA-N	0	0	184.323	3.221	10	0		AGAERN
CCC[C@@H](C)C1=CCC(=O)CC1	687782549	572103569	/nfs/dbraw/zinc/10/35/69/572103569.db2.gz	IBIHNYNAKFHFTP-SECBINFHSA-N	0	0	166.264	3.102	10	0		AGAERN
CC[C@@H]1CCCC[C@H]1C[C@@H](C)CO	82764667	572103664	/nfs/dbraw/zinc/10/36/64/572103664.db2.gz	HTNRUPAMBJCCKJ-UTUOFQBUSA-N	0	0	184.323	3.221	10	0		AGAERN
Cn1cccc1-c1ccc(Cl)cc1	34628650	572103936	/nfs/dbraw/zinc/10/39/36/572103936.db2.gz	REAMUNSBZPZUGX-UHFFFAOYSA-N	0	0	191.661	3.346	10	0		AGAERN
Cc1ccc(C)c2c1CC[C@H](C)C2=O	17353734	572104082	/nfs/dbraw/zinc/10/40/82/572104082.db2.gz	PKGVLPASJKWUPK-JTQLQIEISA-N	0	0	188.270	3.068	10	0		AGAERN
CC[C@@H]1C[C@@H]1[C@H](O)CC(C)(C)CC	713216851	572104180	/nfs/dbraw/zinc/10/41/80/572104180.db2.gz	HQFAGBUWWWRCNM-OUAUKWLOSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H]1C[C@]1(O)C1(C)CCCCC1	234047934	572104413	/nfs/dbraw/zinc/10/44/13/572104413.db2.gz	BTSWLZOTORALBQ-CMPLNLGQSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@H]1CCC[C@]1(O)C1=CCCCC1	234048729	572104753	/nfs/dbraw/zinc/10/47/53/572104753.db2.gz	MJIFTDBTNNHYDO-WCQYABFASA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)C(C)(C)C[C@@H](C)C[C@@H](C)O	713216070	572104504	/nfs/dbraw/zinc/10/45/04/572104504.db2.gz	FLOCQQMMLYKLCH-WDEREUQCSA-N	0	0	186.339	3.466	10	0		AGAERN
CC[C@H]1C[C@@]1(O)C1(C)CCCCC1	234048227	572104525	/nfs/dbraw/zinc/10/45/25/572104525.db2.gz	BTSWLZOTORALBQ-JQWIXIFHSA-N	0	0	182.307	3.118	10	0		AGAERN
CCCCSc1ccc(F)cc1N	37195063	572104547	/nfs/dbraw/zinc/10/45/47/572104547.db2.gz	NSBQGAOGMCKINN-UHFFFAOYSA-N	0	0	199.294	3.300	10	0		AGAERN
CCCCSc1ccc(N)cc1C	37193776	572104627	/nfs/dbraw/zinc/10/46/27/572104627.db2.gz	NNWUEKPPVYYVCT-UHFFFAOYSA-N	0	0	195.331	3.469	10	0		AGAERN
CCC1([C@H](O)CC(C)(C)C)CCC1	713216520	572104712	/nfs/dbraw/zinc/10/47/12/572104712.db2.gz	GQPRMDPYMSAISA-SNVBAGLBSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@H](C)c1csc(N)n1	300937811	572104914	/nfs/dbraw/zinc/10/49/14/572104914.db2.gz	NJUJFPYQLVRKAX-ZETCQYMHSA-N	0	0	184.308	3.019	10	0		AGAERN
CC[C@@H]1C[C@@H]1[C@@H](O)CC(C)(C)CC	713216853	572104973	/nfs/dbraw/zinc/10/49/73/572104973.db2.gz	HQFAGBUWWWRCNM-VWYCJHECSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C(C)(C)C[C@H](C)C[C@H](C)O	713216055	572105138	/nfs/dbraw/zinc/10/51/38/572105138.db2.gz	FLOCQQMMLYKLCH-MNOVXSKESA-N	0	0	186.339	3.466	10	0		AGAERN
CCCCSc1ccc(N)cc1F	37194410	572105241	/nfs/dbraw/zinc/10/52/41/572105241.db2.gz	MQGZZVVSZOBSCD-UHFFFAOYSA-N	0	0	199.294	3.300	10	0		AGAERN
CCCCSc1ccc(C)cc1N	37193122	572105424	/nfs/dbraw/zinc/10/54/24/572105424.db2.gz	NGEMHFNLVWWGBI-UHFFFAOYSA-N	0	0	195.331	3.469	10	0		AGAERN
CCCC(C)(C)c1ccc(N)cc1	34734055	572105438	/nfs/dbraw/zinc/10/54/38/572105438.db2.gz	RDTRZAAYUDTACI-UHFFFAOYSA-N	0	0	177.291	3.347	10	0		AGAERN
CCC(C)(C)C[C@@H](O)[C@@H]1CC1(C)C	713216691	572105484	/nfs/dbraw/zinc/10/54/84/572105484.db2.gz	HETUWIMTNCOLGE-VHSXEESVSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC(C)(C)C[C@H](O)[C@H]1CC1(C)C	713216695	572105587	/nfs/dbraw/zinc/10/55/87/572105587.db2.gz	HETUWIMTNCOLGE-ZJUUUORDSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@@](C)(CO)CC(C)(C)C	713216651	572105614	/nfs/dbraw/zinc/10/56/14/572105614.db2.gz	HBZGTPNBJMCXOC-LLVKDONJSA-N	0	0	172.312	3.077	10	0		AGAERN
CC[C@@H]1C[C@H]1[C@@H](O)CC(C)(C)CC	713216845	572105639	/nfs/dbraw/zinc/10/56/39/572105639.db2.gz	HQFAGBUWWWRCNM-MXWKQRLJSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC(C)(C)C[C@H](O)[C@@H]1CC1(C)C	713216672	572105730	/nfs/dbraw/zinc/10/57/30/572105730.db2.gz	HETUWIMTNCOLGE-UWVGGRQHSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@@H]1C[C@H]1[C@H](O)CC(C)(C)CC	713216839	572105945	/nfs/dbraw/zinc/10/59/45/572105945.db2.gz	HQFAGBUWWWRCNM-GMTAPVOTSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC1([C@@H](O)CC(C)(C)C)CCC1	713216516	572105968	/nfs/dbraw/zinc/10/59/68/572105968.db2.gz	GQPRMDPYMSAISA-JTQLQIEISA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(C)(C)C[C@@H](O)[C@H]1CC1(C)C	713216666	572106063	/nfs/dbraw/zinc/10/60/63/572106063.db2.gz	HETUWIMTNCOLGE-NXEZZACHSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C(C)(C)C[C@@H](C)C[C@H](C)O	713216060	572106080	/nfs/dbraw/zinc/10/60/80/572106080.db2.gz	FLOCQQMMLYKLCH-QWRGUYRKSA-N	0	0	186.339	3.466	10	0		AGAERN
CC(C)[C@](C)(CO)CC(C)(C)C	713216657	572106276	/nfs/dbraw/zinc/10/62/76/572106276.db2.gz	HBZGTPNBJMCXOC-NSHDSACASA-N	0	0	172.312	3.077	10	0		AGAERN
CCCc1ccc2ccccc2c1O	34721982	572106312	/nfs/dbraw/zinc/10/63/12/572106312.db2.gz	GTJDTVAKIPLKBY-UHFFFAOYSA-N	0	0	186.254	3.498	10	0		AGAERN
CC(C)C(C)(C)C[C@H](C)C[C@@H](C)O	713216051	572106371	/nfs/dbraw/zinc/10/63/71/572106371.db2.gz	FLOCQQMMLYKLCH-GHMZBOCLSA-N	0	0	186.339	3.466	10	0		AGAERN
CCCC[C@@H](C)c1csc(N)n1	300937809	572106438	/nfs/dbraw/zinc/10/64/38/572106438.db2.gz	NJUJFPYQLVRKAX-SSDOTTSWSA-N	0	0	184.308	3.019	10	0		AGAERN
CCCC[C@@H](C)Nc1cccc(O)c1	37237938	572106450	/nfs/dbraw/zinc/10/64/50/572106450.db2.gz	NTFFGNWNKOBPPK-SNVBAGLBSA-N	0	0	193.290	3.383	10	0		AGAERN
CCCC[C@@H](C)Nc1cccnc1	37187129	572106511	/nfs/dbraw/zinc/10/65/11/572106511.db2.gz	GTMJNWZWAJSMJS-SNVBAGLBSA-N	0	0	178.279	3.072	10	0		AGAERN
CCCC[C@H](C)Nc1cccnc1	37187130	572106520	/nfs/dbraw/zinc/10/65/20/572106520.db2.gz	GTMJNWZWAJSMJS-JTQLQIEISA-N	0	0	178.279	3.072	10	0		AGAERN
C[C@@H]1Nc2c(Cl)cccc2[C@@H]1C	71484495	572107480	/nfs/dbraw/zinc/10/74/80/572107480.db2.gz	ZJUOAIPBANTBQA-RQJHMYQMSA-N	0	0	181.666	3.258	10	0		AGAERN
Cc1cc(C=O)c(C)c2ccccc12	34723411	572106549	/nfs/dbraw/zinc/10/65/49/572106549.db2.gz	BAAIKDJMROGHKB-UHFFFAOYSA-N	0	0	184.238	3.269	10	0		AGAERN
CCCC[C@H](C)Nc1cccc(O)c1	37237941	572106688	/nfs/dbraw/zinc/10/66/88/572106688.db2.gz	NTFFGNWNKOBPPK-JTQLQIEISA-N	0	0	193.290	3.383	10	0		AGAERN
CCc1ccc2c(c1)[C@H](C)[C@@H](C)N2	71484380	572106757	/nfs/dbraw/zinc/10/67/57/572106757.db2.gz	MVSMZIZIFUYPPJ-RKDXNWHRSA-N	0	0	175.275	3.167	10	0		AGAERN
CCOc1ccc2c(c1)[C@@H](C)[C@@H](C)N2	71484433	572106768	/nfs/dbraw/zinc/10/67/68/572106768.db2.gz	HFVSSOIGWCVSJZ-DTWKUNHWSA-N	0	0	191.274	3.003	10	0		AGAERN
CC(C)C(C)(C)CCC[C@@H](C)O	713218163	572106791	/nfs/dbraw/zinc/10/67/91/572106791.db2.gz	OELFHBDNMDXPBS-SNVBAGLBSA-N	0	0	172.312	3.220	10	0		AGAERN
C[C@@H]1Nc2c(Cl)cccc2[C@H]1C	71484493	572106824	/nfs/dbraw/zinc/10/68/24/572106824.db2.gz	ZJUOAIPBANTBQA-BQBZGAKWSA-N	0	0	181.666	3.258	10	0		AGAERN
CCc1ccc2c(c1)[C@@H](C)[C@@H](C)N2	71484382	572106853	/nfs/dbraw/zinc/10/68/53/572106853.db2.gz	MVSMZIZIFUYPPJ-DTWKUNHWSA-N	0	0	175.275	3.167	10	0		AGAERN
CCOc1ccc2c(c1)[C@@H](C)[C@H](C)N2	71484429	572106929	/nfs/dbraw/zinc/10/69/29/572106929.db2.gz	HFVSSOIGWCVSJZ-IUCAKERBSA-N	0	0	191.274	3.003	10	0		AGAERN
C[C@H]1c2cccc(Cl)c2N[C@@H]1C	71484491	572106936	/nfs/dbraw/zinc/10/69/36/572106936.db2.gz	ZJUOAIPBANTBQA-RNFRBKRXSA-N	0	0	181.666	3.258	10	0		AGAERN
C[C@H]1c2ccc(Cl)cc2N[C@@H]1C	71484436	572107007	/nfs/dbraw/zinc/10/70/07/572107007.db2.gz	HKWJUNLNWDIZQR-RNFRBKRXSA-N	0	0	181.666	3.258	10	0		AGAERN
CC1(c2ccc(N)cc2)CCCCC1	34770526	572107128	/nfs/dbraw/zinc/10/71/28/572107128.db2.gz	ZGHJNCAHIVOFAM-UHFFFAOYSA-N	0	0	189.302	3.491	10	0		AGAERN
CC[C@H]1CCC[C@@]1(O)C1=CCCCC1	234058642	572107181	/nfs/dbraw/zinc/10/71/81/572107181.db2.gz	MJIFTDBTNNHYDO-AAEUAGOBSA-N	0	0	194.318	3.428	10	0		AGAERN
CCc1ccc2c(c1)[C@@H](C)[C@H](C)N2	71484378	572107232	/nfs/dbraw/zinc/10/72/32/572107232.db2.gz	MVSMZIZIFUYPPJ-IUCAKERBSA-N	0	0	175.275	3.167	10	0		AGAERN
CC(C)=C(C)[C@@H](O)c1ccccc1	34777681	572107666	/nfs/dbraw/zinc/10/76/66/572107666.db2.gz	NBRLRAJXCZUXHU-GFCCVEGCSA-N	0	0	176.259	3.076	10	0		AGAERN
CC(=O)CCC(C)(C)C(C)C	17547325	572107716	/nfs/dbraw/zinc/10/77/16/572107716.db2.gz	RGTCRJBAJDYJIV-UHFFFAOYSA-N	0	0	156.269	3.038	10	0		AGAERN
CC(C)C(C)(C)CCC[C@H](C)O	713218162	572107735	/nfs/dbraw/zinc/10/77/35/572107735.db2.gz	OELFHBDNMDXPBS-JTQLQIEISA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@H](C)c1ccc(O)c(C)c1	34770406	572108273	/nfs/dbraw/zinc/10/82/73/572108273.db2.gz	FQHKOGUQBQFHAI-QMMMGPOBSA-N	0	0	164.248	3.214	10	0		AGAERN
S=CNc1cccc2ccccc12	34770279	572108530	/nfs/dbraw/zinc/10/85/30/572108530.db2.gz	OFTXMDOYOFHTTH-UHFFFAOYSA-N	0	0	187.267	3.209	10	0		AGAERN
CCc1cccc2c1N[C@H](C)[C@H]2C	71484470	572108609	/nfs/dbraw/zinc/10/86/09/572108609.db2.gz	GWVXCVDSEGDSCD-RKDXNWHRSA-N	0	0	175.275	3.167	10	0		AGAERN
CCc1cccc2c1N[C@H](C)[C@@H]2C	71484466	572108741	/nfs/dbraw/zinc/10/87/41/572108741.db2.gz	GWVXCVDSEGDSCD-DTWKUNHWSA-N	0	0	175.275	3.167	10	0		AGAERN
Fc1cccc2c1N[C@@H]1CCCC[C@@H]21	71484346	572108778	/nfs/dbraw/zinc/10/87/78/572108778.db2.gz	HHHLDMGODXRMGA-GZMMTYOYSA-N	0	0	191.249	3.277	10	0		AGAERN
C[C@H]1Nc2c(Cl)cccc2[C@H]1C	71484489	572108875	/nfs/dbraw/zinc/10/88/75/572108875.db2.gz	ZJUOAIPBANTBQA-NKWVEPMBSA-N	0	0	181.666	3.258	10	0		AGAERN
Cc1c[nH]c(-c2[nH]cc(C)c2C)c1C	34769098	572108901	/nfs/dbraw/zinc/10/89/01/572108901.db2.gz	MNTMGGMMWORJDG-UHFFFAOYSA-N	0	0	188.274	3.243	10	0		AGAERN
CC(C)=C(C)[C@H](O)c1ccccc1	34777679	572109195	/nfs/dbraw/zinc/10/91/95/572109195.db2.gz	NBRLRAJXCZUXHU-LBPRGKRZSA-N	0	0	176.259	3.076	10	0		AGAERN
CCCC[C@H](C)Nc1c(C)n[nH]c1C	37261632	572109210	/nfs/dbraw/zinc/10/92/10/572109210.db2.gz	PKZYNQCYBUNTEB-QMMMGPOBSA-N	0	0	195.310	3.017	10	0		AGAERN
CC[C@@H](C)c1ccc(O)c(C)c1	34770405	572109436	/nfs/dbraw/zinc/10/94/36/572109436.db2.gz	FQHKOGUQBQFHAI-MRVPVSSYSA-N	0	0	164.248	3.214	10	0		AGAERN
C[C@H]1Nc2cc(Cl)ccc2[C@H]1C	71484434	572109783	/nfs/dbraw/zinc/10/97/83/572109783.db2.gz	HKWJUNLNWDIZQR-NKWVEPMBSA-N	0	0	181.666	3.258	10	0		AGAERN
Fc1cccc2c1N[C@H]1CCCC[C@H]21	71484340	572109832	/nfs/dbraw/zinc/10/98/32/572109832.db2.gz	HHHLDMGODXRMGA-KCJUWKMLSA-N	0	0	191.249	3.277	10	0		AGAERN
CCOc1ccc2c(c1)[C@H](C)[C@@H](C)N2	71484431	572110025	/nfs/dbraw/zinc/11/00/25/572110025.db2.gz	HFVSSOIGWCVSJZ-RKDXNWHRSA-N	0	0	191.274	3.003	10	0		AGAERN
CCCC[C@@H](C)Nc1c(C)n[nH]c1C	37261631	572110140	/nfs/dbraw/zinc/11/01/40/572110140.db2.gz	PKZYNQCYBUNTEB-MRVPVSSYSA-N	0	0	195.310	3.017	10	0		AGAERN
Oc1ccc2ccc3occc3c2c1	34887409	572110699	/nfs/dbraw/zinc/11/06/99/572110699.db2.gz	VGADWSLIPYCKHW-UHFFFAOYSA-N	0	0	184.194	3.292	10	0		AGAERN
CC(C)CC[C@H](O)[C@H]1CCC[C@H]1C	300313636	572110985	/nfs/dbraw/zinc/11/09/85/572110985.db2.gz	XVFRAVYUFLPSQP-WOPDTQHZSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC(C)(C)C[C@@H](O)[C@H]1C[C@@H]2C[C@@H]2C1	713218549	572111317	/nfs/dbraw/zinc/11/13/17/572111317.db2.gz	PJWNRERIRFHYHN-WRWGMCAJSA-N	0	0	196.334	3.220	10	0		AGAERN
CC(C)(C)C[C@](C)(O)[C@H]1CC1(C)C	713218574	572111316	/nfs/dbraw/zinc/11/13/16/572111316.db2.gz	PWGJDKQGIXARNY-CABZTGNLSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@@H](C)SCCCCC(C)=O	37331104	572111405	/nfs/dbraw/zinc/11/14/05/572111405.db2.gz	YLVZTUWXLKYUFP-SNVBAGLBSA-N	0	0	188.336	3.277	10	0		AGAERN
CC(=O)CCCCSC(C)(C)C	37331116	572111525	/nfs/dbraw/zinc/11/15/25/572111525.db2.gz	AAKXPDQREIVXQG-UHFFFAOYSA-N	0	0	188.336	3.277	10	0		AGAERN
CC(C)(C)C[C@@](C)(O)[C@@H]1CC1(C)C	713218570	572111938	/nfs/dbraw/zinc/11/19/38/572111938.db2.gz	PWGJDKQGIXARNY-BXKDBHETSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC(C)(C)C[C@H](O)[C@H]1C[C@@H]2C[C@@H]2C1	713218543	572112156	/nfs/dbraw/zinc/11/21/56/572112156.db2.gz	PJWNRERIRFHYHN-USZNOCQGSA-N	0	0	196.334	3.220	10	0		AGAERN
CC(C)CC[C@H](O)[C@@H]1CCC[C@H]1C	300313635	572112761	/nfs/dbraw/zinc/11/27/61/572112761.db2.gz	XVFRAVYUFLPSQP-UTUOFQBUSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC(=O)c1c[nH]c2cc(C)ccc12	34977554	572113894	/nfs/dbraw/zinc/11/38/94/572113894.db2.gz	LXDQJCXKCFLHMS-UHFFFAOYSA-N	0	0	187.242	3.069	10	0		AGAERN
CCc1ccc(C(=O)[C@@H]2C[C@@H]2C)cc1	34976670	572113751	/nfs/dbraw/zinc/11/37/51/572113751.db2.gz	RNBVUFZXIFMMLN-JOYOIKCWSA-N	0	0	188.270	3.088	10	0		AGAERN
CCCC[C@@H](C)C(=O)c1ccoc1	300945174	572113941	/nfs/dbraw/zinc/11/39/41/572113941.db2.gz	OGGUXPFFNKOTKR-SECBINFHSA-N	0	0	180.247	3.289	10	0		AGAERN
CC(C)C[C@H](C)C[C@@H](O)C(C)(C)C	300944982	572113973	/nfs/dbraw/zinc/11/39/73/572113973.db2.gz	PCJPBCMZQUJNMO-WDEREUQCSA-N	0	0	186.339	3.466	10	0		AGAERN
CC(C)[C@H](CO)c1ccccc1Cl	34960217	572113992	/nfs/dbraw/zinc/11/39/92/572113992.db2.gz	YUAARVPGWJVWJL-JTQLQIEISA-N	0	0	198.693	3.072	10	0		AGAERN
COc1ccc(CC2CCCC2)cc1	34960735	572114275	/nfs/dbraw/zinc/11/42/75/572114275.db2.gz	FISHRKITHXAYSJ-UHFFFAOYSA-N	0	0	190.286	3.428	10	0		AGAERN
CC(C)(C)[C@H]1CCc2[nH]ccc2C1	34997025	572114302	/nfs/dbraw/zinc/11/43/02/572114302.db2.gz	NFHHTKZADHUGKQ-JTQLQIEISA-N	0	0	177.291	3.166	10	0		AGAERN
CC(C)(C)[C@@H]1CCc2[nH]ccc2C1	34997024	572114321	/nfs/dbraw/zinc/11/43/21/572114321.db2.gz	NFHHTKZADHUGKQ-SNVBAGLBSA-N	0	0	177.291	3.166	10	0		AGAERN
CC[C@@H](C)Sc1ccc(N)cc1C	34978431	572114337	/nfs/dbraw/zinc/11/43/37/572114337.db2.gz	QKWXQWBRGNQLQF-SECBINFHSA-N	0	0	195.331	3.468	10	0		AGAERN
CCCC[C@H](C)C(=O)c1ccoc1	300945175	572114417	/nfs/dbraw/zinc/11/44/17/572114417.db2.gz	OGGUXPFFNKOTKR-VIFPVBQESA-N	0	0	180.247	3.289	10	0		AGAERN
CC[C@H](C)Sc1ccc(N)cc1C	34978432	572114562	/nfs/dbraw/zinc/11/45/62/572114562.db2.gz	QKWXQWBRGNQLQF-VIFPVBQESA-N	0	0	195.331	3.468	10	0		AGAERN
CCc1ccc(C(=O)[C@H]2C[C@H]2C)cc1	34976675	572114542	/nfs/dbraw/zinc/11/45/42/572114542.db2.gz	RNBVUFZXIFMMLN-SKDRFNHKSA-N	0	0	188.270	3.088	10	0		AGAERN
CCC(C)(C)[C@@H](C)CC(C)=O	17707314	572114703	/nfs/dbraw/zinc/11/47/03/572114703.db2.gz	HVGAKHKOAYAEDA-QMMMGPOBSA-N	0	0	156.269	3.038	10	0		AGAERN
C[C@H](Nc1c(F)cccc1F)C1CC1	34957561	572114801	/nfs/dbraw/zinc/11/48/01/572114801.db2.gz	IRMPEFAALCDDPZ-ZETCQYMHSA-N	0	0	197.228	3.175	10	0		AGAERN
CCC(C)(C)[C@H](C)CC(C)=O	17707317	572114952	/nfs/dbraw/zinc/11/49/52/572114952.db2.gz	HVGAKHKOAYAEDA-MRVPVSSYSA-N	0	0	156.269	3.038	10	0		AGAERN
CCc1ccc(C(=O)[C@H]2C[C@@H]2C)cc1	34976672	572114986	/nfs/dbraw/zinc/11/49/86/572114986.db2.gz	RNBVUFZXIFMMLN-CABZTGNLSA-N	0	0	188.270	3.088	10	0		AGAERN
Cc1cc(N)ccc1NCCC(C)C	34978356	572115170	/nfs/dbraw/zinc/11/51/70/572115170.db2.gz	DGDFDJRBJKSPQC-UHFFFAOYSA-N	0	0	192.306	3.035	10	0		AGAERN
CCc1ccc(C(=O)[C@@H]2C[C@H]2C)cc1	34976674	572115225	/nfs/dbraw/zinc/11/52/25/572115225.db2.gz	RNBVUFZXIFMMLN-BXKDBHETSA-N	0	0	188.270	3.088	10	0		AGAERN
CCCCSCCCCC(C)=O	37330880	572115252	/nfs/dbraw/zinc/11/52/52/572115252.db2.gz	BAEZYKGGTKMFFU-UHFFFAOYSA-N	0	0	188.336	3.279	10	0		AGAERN
CC(C)C[C@H](C)C[C@H](O)C(C)(C)C	300944980	572115295	/nfs/dbraw/zinc/11/52/95/572115295.db2.gz	PCJPBCMZQUJNMO-QWRGUYRKSA-N	0	0	186.339	3.466	10	0		AGAERN
COc1cc(C(C)=O)ccc1C(C)C	201582589	572115460	/nfs/dbraw/zinc/11/54/60/572115460.db2.gz	ITIASLOCPHBGQG-UHFFFAOYSA-N	0	0	192.258	3.021	10	0		AGAERN
CC(=O)CCCCSCC(C)C	37330892	572115722	/nfs/dbraw/zinc/11/57/22/572115722.db2.gz	MWISBHWMQNDWMK-UHFFFAOYSA-N	0	0	188.336	3.135	10	0		AGAERN
CCC[C@H](C)Nc1ccn(C(C)C)n1	300946492	572116071	/nfs/dbraw/zinc/11/60/71/572116071.db2.gz	YTRDJIZTRAQHFZ-JTQLQIEISA-N	0	0	195.310	3.065	10	0		AGAERN
CC(=O)CCCCOC1CCCCC1	37329858	572116730	/nfs/dbraw/zinc/11/67/30/572116730.db2.gz	IBADRLFNYFALIQ-UHFFFAOYSA-N	0	0	198.306	3.095	10	0		AGAERN
CC(C)(C)CCC[C@@H](O)C1(C)CC1	300945451	572117805	/nfs/dbraw/zinc/11/78/05/572117805.db2.gz	WOKXXYGIQJDAHE-SNVBAGLBSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC(=O)CCC=C(C)C	37408515	572120233	/nfs/dbraw/zinc/12/02/33/572120233.db2.gz	LJIZVKZKLGSCBK-UHFFFAOYSA-N	0	0	154.253	3.102	10	0		AGAERN
CC[C@@]1(C)Cc2cccc(Cl)c2N1	219870874	572118488	/nfs/dbraw/zinc/11/84/88/572118488.db2.gz	CEKLNIADCMKNRJ-NSHDSACASA-N	0	0	195.693	3.477	10	0		AGAERN
CCCC(=O)CCCC(C)C	37408496	572118559	/nfs/dbraw/zinc/11/85/59/572118559.db2.gz	HZUJDCJQPCTXPQ-UHFFFAOYSA-N	0	0	156.269	3.182	10	0		AGAERN
CCC[C@@H](C)Nc1ccn(C(C)C)n1	300946494	572118931	/nfs/dbraw/zinc/11/89/31/572118931.db2.gz	YTRDJIZTRAQHFZ-SNVBAGLBSA-N	0	0	195.310	3.065	10	0		AGAERN
CCCC(=O)CCc1cccs1	37408504	572118999	/nfs/dbraw/zinc/11/89/99/572118999.db2.gz	YZBWLGXIUIQGJA-UHFFFAOYSA-N	0	0	182.288	3.050	10	0		AGAERN
C1=C(c2ccnc3[nH]ccc23)CCC1	35051117	572119167	/nfs/dbraw/zinc/11/91/67/572119167.db2.gz	XFRQGRABOXMNBL-UHFFFAOYSA-N	0	0	184.242	3.130	10	0		AGAERN
CCCCCNc1cccc(F)c1N	37419197	572120774	/nfs/dbraw/zinc/12/07/74/572120774.db2.gz	VXNCONCHCQHXKG-UHFFFAOYSA-N	0	0	196.269	3.010	10	0		AGAERN
C[C@@]1(c2ccccc2)C[C@@]1(F)Cl	196194305	572120778	/nfs/dbraw/zinc/12/07/78/572120778.db2.gz	FSHGJKRLURXUES-UWVGGRQHSA-N	0	0	184.641	3.253	10	0		AGAERN
Cc1occc1-c1nc2ccccc2[nH]1	37400357	572119473	/nfs/dbraw/zinc/11/94/73/572119473.db2.gz	LYHYJJMOLRAZCU-UHFFFAOYSA-N	0	0	198.225	3.131	10	0		AGAERN
CCCCCNc1ccc(C)cc1N	37401249	572120035	/nfs/dbraw/zinc/12/00/35/572120035.db2.gz	RJMYJQPCAASJQE-UHFFFAOYSA-N	0	0	192.306	3.179	10	0		AGAERN
C[C@]1(c2ccccc2)C[C@]1(F)Cl	196194313	572120116	/nfs/dbraw/zinc/12/01/16/572120116.db2.gz	FSHGJKRLURXUES-NXEZZACHSA-N	0	0	184.641	3.253	10	0		AGAERN
CC(C)=C[C@H](C)Nc1ccccc1	196194953	572120158	/nfs/dbraw/zinc/12/01/58/572120158.db2.gz	VPSUSEXHWDKNRS-NSHDSACASA-N	0	0	175.275	3.453	10	0		AGAERN
CC(C)[C@H]1CCC(F)(F)C1	114377145	572120591	/nfs/dbraw/zinc/12/05/91/572120591.db2.gz	QUHCEMPBTLTGOC-ZETCQYMHSA-N	0	0	148.196	3.078	10	0		AGAERN
C[C@@]1(c2ccccc2)C[C@]1(F)Cl	196194317	572120604	/nfs/dbraw/zinc/12/06/04/572120604.db2.gz	FSHGJKRLURXUES-VHSXEESVSA-N	0	0	184.641	3.253	10	0		AGAERN
C[C@]1(c2ccccc2)C[C@@]1(F)Cl	196194299	572121276	/nfs/dbraw/zinc/12/12/76/572121276.db2.gz	FSHGJKRLURXUES-ZJUUUORDSA-N	0	0	184.641	3.253	10	0		AGAERN
CC(C)=C[C@@H](C)Nc1ccccc1	196194955	572121348	/nfs/dbraw/zinc/12/13/48/572121348.db2.gz	VPSUSEXHWDKNRS-LLVKDONJSA-N	0	0	175.275	3.453	10	0		AGAERN
CCc1nc[nH]c1CC1CCCCC1	196196039	572121415	/nfs/dbraw/zinc/12/14/15/572121415.db2.gz	OHUNPOJFFWYYBZ-UHFFFAOYSA-N	0	0	192.306	3.095	10	0		AGAERN
CC(C)[C@@H]1CCC(F)(F)C1	114377143	572121584	/nfs/dbraw/zinc/12/15/84/572121584.db2.gz	QUHCEMPBTLTGOC-SSDOTTSWSA-N	0	0	148.196	3.078	10	0		AGAERN
CCc1cccc(-n2cccc2)c1	35120138	572122933	/nfs/dbraw/zinc/12/29/33/572122933.db2.gz	HVVMUSNRQMPLDH-UHFFFAOYSA-N	0	0	171.243	3.040	10	0		AGAERN
O=C1CCCC12CCCCCC2	196199003	572121791	/nfs/dbraw/zinc/12/17/91/572121791.db2.gz	HDDCOQCEMZFITD-UHFFFAOYSA-N	0	0	166.264	3.080	10	0		AGAERN
CCC[C@H](C)C(=O)[C@@H]1CC[C@H](C)C1	300342425	572121937	/nfs/dbraw/zinc/12/19/37/572121937.db2.gz	BUMJWINRJDJLFM-GARJFASQSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC[C@H](C)C(=O)[C@H]1CC[C@H](C)C1	300342424	572122162	/nfs/dbraw/zinc/12/21/62/572122162.db2.gz	BUMJWINRJDJLFM-DCAQKATOSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(CC)n1c(C)ccc1C	35120219	572122347	/nfs/dbraw/zinc/12/23/47/572122347.db2.gz	KJRTVLJYXWJLQQ-UHFFFAOYSA-N	0	0	165.280	3.466	10	0		AGAERN
CCC[C@H](C)C[C@H](O)[C@H]1CC1(C)C	300334204	572122488	/nfs/dbraw/zinc/12/24/88/572122488.db2.gz	XSKZNSAMPDIRII-AXFHLTTASA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H](C)C[C@@H](C)CC(C)=O	82807401	572122507	/nfs/dbraw/zinc/12/25/07/572122507.db2.gz	NMSDKCQPRHCSMG-DTWKUNHWSA-N	0	0	156.269	3.038	10	0		AGAERN
CC(=O)C[C@@H](C)Cc1cccc(C)c1	82807381	572122582	/nfs/dbraw/zinc/12/25/82/572122582.db2.gz	CVSZGFKTHVCLRU-LLVKDONJSA-N	0	0	190.286	3.153	10	0		AGAERN
CC[C@@H](C)C[C@@H](C)CC(C)=O	82807398	572122707	/nfs/dbraw/zinc/12/27/07/572122707.db2.gz	NMSDKCQPRHCSMG-RKDXNWHRSA-N	0	0	156.269	3.038	10	0		AGAERN
CC(C)C[C@@H](C)C[C@H]1CCC(=O)C1	300948561	572122804	/nfs/dbraw/zinc/12/28/04/572122804.db2.gz	PKPXTOZZPWCJKS-GHMZBOCLSA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@@H]1CCC[C@H](n2cccc2)[C@@H]1C	35120267	572123315	/nfs/dbraw/zinc/12/33/15/572123315.db2.gz	BWSUHGOYWHLBKF-UTUOFQBUSA-N	0	0	177.291	3.485	10	0		AGAERN
CC(C)C[C@H](C)C[C@@H]1CCC(=O)C1	300948567	572122760	/nfs/dbraw/zinc/12/27/60/572122760.db2.gz	PKPXTOZZPWCJKS-QWRGUYRKSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)C[C@@H](C)CCc1cccs1	82807039	572122782	/nfs/dbraw/zinc/12/27/82/572122782.db2.gz	QRXYRIIOEXBETQ-VIFPVBQESA-N	0	0	196.315	3.296	10	0		AGAERN
CC(C)C[C@H](C)C[C@H]1CCC(=O)C1	300948570	572122796	/nfs/dbraw/zinc/12/27/96/572122796.db2.gz	PKPXTOZZPWCJKS-WDEREUQCSA-N	0	0	182.307	3.428	10	0		AGAERN
CCCCSc1cccc(F)c1N	37420806	572122839	/nfs/dbraw/zinc/12/28/39/572122839.db2.gz	UCKZBJRBDLDXIB-UHFFFAOYSA-N	0	0	199.294	3.300	10	0		AGAERN
C[C@H](O)C[C@H](C)CCC(C)(C)C	82811417	572125471	/nfs/dbraw/zinc/12/54/71/572125471.db2.gz	JMBRDIQSMKTPNB-ZJUUUORDSA-N	0	0	172.312	3.220	10	0		AGAERN
CC(=O)C[C@@H](C)Cc1ccc(C)cc1	82807346	572123179	/nfs/dbraw/zinc/12/31/79/572123179.db2.gz	GYENBRLQFHBUOO-LLVKDONJSA-N	0	0	190.286	3.153	10	0		AGAERN
CC(=O)C[C@H](C)CCc1ccccc1	82807168	572123325	/nfs/dbraw/zinc/12/33/25/572123325.db2.gz	YZEHGZJXVNCCKL-LLVKDONJSA-N	0	0	190.286	3.234	10	0		AGAERN
CC(=O)C[C@@H](C)CC1CCCC1	82807407	572123414	/nfs/dbraw/zinc/12/34/14/572123414.db2.gz	LJYKLSQWJLOFGV-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@H](C)C[C@@H](O)[C@H]1CC1(C)C	300334205	572123440	/nfs/dbraw/zinc/12/34/40/572123440.db2.gz	XSKZNSAMPDIRII-HBNTYKKESA-N	0	0	184.323	3.220	10	0		AGAERN
CCC[C@H](C)C[C@@H](C)CC(C)=O	82806913	572123454	/nfs/dbraw/zinc/12/34/54/572123454.db2.gz	YDOLSBRZYXZWSW-VHSXEESVSA-N	0	0	170.296	3.428	10	0		AGAERN
CC(=O)C[C@@H](C)CCC(C)(C)C	82806927	572123531	/nfs/dbraw/zinc/12/35/31/572123531.db2.gz	YJAMTHNYEKAFON-VIFPVBQESA-N	0	0	170.296	3.428	10	0		AGAERN
CC(=O)C[C@H](C)Cc1ccc(C)cc1	82807345	572123533	/nfs/dbraw/zinc/12/35/33/572123533.db2.gz	GYENBRLQFHBUOO-NSHDSACASA-N	0	0	190.286	3.153	10	0		AGAERN
CCC[C@@H](C)C[C@H](C)CC(C)=O	82806914	572123614	/nfs/dbraw/zinc/12/36/14/572123614.db2.gz	YDOLSBRZYXZWSW-ZJUUUORDSA-N	0	0	170.296	3.428	10	0		AGAERN
CC(=O)C[C@@H](C)Cc1ccccc1C	82807278	572123776	/nfs/dbraw/zinc/12/37/76/572123776.db2.gz	NOQADDIHADUUKR-SNVBAGLBSA-N	0	0	190.286	3.153	10	0		AGAERN
CCC[C@H](C)C[C@H](C)CC(C)=O	82806915	572123855	/nfs/dbraw/zinc/12/38/55/572123855.db2.gz	YDOLSBRZYXZWSW-UWVGGRQHSA-N	0	0	170.296	3.428	10	0		AGAERN
CC(=O)C[C@@H](C)CCc1ccsc1	82807129	572123883	/nfs/dbraw/zinc/12/38/83/572123883.db2.gz	ZBHZHFSFFHEPMG-VIFPVBQESA-N	0	0	196.315	3.296	10	0		AGAERN
CC(=O)C[C@H](C)CCC(C)C	82807115	572124003	/nfs/dbraw/zinc/12/40/03/572124003.db2.gz	IHWXNFSMZQWZHP-SECBINFHSA-N	0	0	156.269	3.038	10	0		AGAERN
CC(=O)C[C@H](C)CCc1ccsc1	82807131	572124072	/nfs/dbraw/zinc/12/40/72/572124072.db2.gz	ZBHZHFSFFHEPMG-SECBINFHSA-N	0	0	196.315	3.296	10	0		AGAERN
CCC[C@@H](C)C[C@@H](C)CC(C)=O	82806912	572124081	/nfs/dbraw/zinc/12/40/81/572124081.db2.gz	YDOLSBRZYXZWSW-NXEZZACHSA-N	0	0	170.296	3.428	10	0		AGAERN
CCc1cccc(C)c1-n1cccc1	35120074	572124143	/nfs/dbraw/zinc/12/41/43/572124143.db2.gz	RCWXWLPPQNJDII-UHFFFAOYSA-N	0	0	185.270	3.348	10	0		AGAERN
CC(=O)C[C@@H](C)CCC(C)C	82807117	572124243	/nfs/dbraw/zinc/12/42/43/572124243.db2.gz	IHWXNFSMZQWZHP-VIFPVBQESA-N	0	0	156.269	3.038	10	0		AGAERN
CC(=O)C[C@H](C)CC1CCCC1	82807408	572124289	/nfs/dbraw/zinc/12/42/89/572124289.db2.gz	LJYKLSQWJLOFGV-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CCCC(=O)CCc1ccsc1	37412275	572124292	/nfs/dbraw/zinc/12/42/92/572124292.db2.gz	AAVQDOVGYPJFBY-UHFFFAOYSA-N	0	0	182.288	3.050	10	0		AGAERN
CC(=O)C[C@H](C)CCc1cccs1	82807041	572124298	/nfs/dbraw/zinc/12/42/98/572124298.db2.gz	QRXYRIIOEXBETQ-SECBINFHSA-N	0	0	196.315	3.296	10	0		AGAERN
CC(=O)C[C@H](C)Cc1cccc(C)c1	82807379	572124377	/nfs/dbraw/zinc/12/43/77/572124377.db2.gz	CVSZGFKTHVCLRU-NSHDSACASA-N	0	0	190.286	3.153	10	0		AGAERN
CC[C@H](C)C[C@H](C)CC(C)=O	82807406	572124385	/nfs/dbraw/zinc/12/43/85/572124385.db2.gz	NMSDKCQPRHCSMG-IUCAKERBSA-N	0	0	156.269	3.038	10	0		AGAERN
CC[C@@H](C)C[C@H](C)CC(C)=O	82807405	572124445	/nfs/dbraw/zinc/12/44/45/572124445.db2.gz	NMSDKCQPRHCSMG-BDAKNGLRSA-N	0	0	156.269	3.038	10	0		AGAERN
CCC[C@@H](C)[C@H](O)C(C)(C)CC	300345353	572124616	/nfs/dbraw/zinc/12/46/16/572124616.db2.gz	GCQXHMMUQXCBFN-ZJUUUORDSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCCC[C@@H](C)C[C@H](C)O	82811128	572124692	/nfs/dbraw/zinc/12/46/92/572124692.db2.gz	FPWYKPIMDKVGRU-MNOVXSKESA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@@H](C)C(=O)[C@@H]1[C@H]2CCC[C@H]21	300345539	572124866	/nfs/dbraw/zinc/12/48/66/572124866.db2.gz	GPJVDBLNCXTZFY-ZNSHCXBVSA-N	0	0	180.291	3.038	10	0		AGAERN
CCC[C@H](C)[C@H](O)[C@@H]1CC[C@H](C)C1	300346835	572124913	/nfs/dbraw/zinc/12/49/13/572124913.db2.gz	JXIRDNUCRGZZKF-YFKTTZPYSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC[C@@H](C)[C@H](O)CCc1ccco1	300346175	572125040	/nfs/dbraw/zinc/12/50/40/572125040.db2.gz	HMQAIFWNNCCOPV-ZYHUDNBSSA-N	0	0	196.290	3.009	10	0		AGAERN
C[C@H](O)C[C@@H](C)CCC(C)(C)C	82811414	572125062	/nfs/dbraw/zinc/12/50/62/572125062.db2.gz	JMBRDIQSMKTPNB-UWVGGRQHSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@@H](C)C[C@H](C)C[C@@H](C)O	82811546	572125099	/nfs/dbraw/zinc/12/50/99/572125099.db2.gz	BYULJDHGBDPJTA-OUAUKWLOSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@H](C)[C@@](C)(O)[C@H](C)CC	300344315	572125210	/nfs/dbraw/zinc/12/52/10/572125210.db2.gz	CRAQWVPTHPTZQP-VWYCJHECSA-N	0	0	172.312	3.220	10	0		AGAERN
CCc1ccc([C@H](C)C[C@H](C)O)cc1	82811353	572125227	/nfs/dbraw/zinc/12/52/27/572125227.db2.gz	DZBPZCLCQAJTPW-MNOVXSKESA-N	0	0	192.302	3.123	10	0		AGAERN
CCC[C@@H](C)C[C@@H](C)C[C@@H](C)O	82811541	572125281	/nfs/dbraw/zinc/12/52/81/572125281.db2.gz	BYULJDHGBDPJTA-GMTAPVOTSA-N	0	0	172.312	3.220	10	0		AGAERN
CCc1ccc([C@@H](C)C[C@H](C)O)cc1	82811351	572125337	/nfs/dbraw/zinc/12/53/37/572125337.db2.gz	DZBPZCLCQAJTPW-QWRGUYRKSA-N	0	0	192.302	3.123	10	0		AGAERN
C[C@@H](CCc1ccccc1)C[C@@H](C)O	82811518	572125370	/nfs/dbraw/zinc/12/53/70/572125370.db2.gz	FADMUUMOVSFZHH-NWDGAFQWSA-N	0	0	192.302	3.026	10	0		AGAERN
CCC[C@@H](C)[C@@](C)(O)c1cccs1	300343925	572125386	/nfs/dbraw/zinc/12/53/86/572125386.db2.gz	CAGOYRPFLXFYDB-MWLCHTKSSA-N	0	0	198.331	3.392	10	0		AGAERN
C[C@@H](CCc1ccsc1)C[C@@H](C)O	82811722	572125410	/nfs/dbraw/zinc/12/54/10/572125410.db2.gz	RGQHJMJISDZYDR-VHSXEESVSA-N	0	0	198.331	3.088	10	0		AGAERN
CCC[C@H](C)[C@](C)(O)[C@H](C)CC	300344313	572125423	/nfs/dbraw/zinc/12/54/23/572125423.db2.gz	CRAQWVPTHPTZQP-OUAUKWLOSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCCC[C@H](C)C[C@H](C)O	82811130	572125511	/nfs/dbraw/zinc/12/55/11/572125511.db2.gz	FPWYKPIMDKVGRU-QWRGUYRKSA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@H](C)C(=O)[C@@H]1[C@H]2CCC[C@H]21	300345537	572125517	/nfs/dbraw/zinc/12/55/17/572125517.db2.gz	GPJVDBLNCXTZFY-UKKRHICBSA-N	0	0	180.291	3.038	10	0		AGAERN
CCC[C@H](C)C[C@@H](C)C[C@@H](C)O	82811543	572125574	/nfs/dbraw/zinc/12/55/74/572125574.db2.gz	BYULJDHGBDPJTA-HBNTYKKESA-N	0	0	172.312	3.220	10	0		AGAERN
C[C@@H](O)C[C@H](C)CCc1cccs1	82811421	572125688	/nfs/dbraw/zinc/12/56/88/572125688.db2.gz	ZCXBSXYWOILXOS-NXEZZACHSA-N	0	0	198.331	3.088	10	0		AGAERN
CCC[C@H](C)[C@H](O)[C@H]1CC[C@H](C)C1	300346740	572125697	/nfs/dbraw/zinc/12/56/97/572125697.db2.gz	JXIRDNUCRGZZKF-BJDJZHNGSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@@H](CCc1cccs1)C[C@@H](C)O	82811419	572125833	/nfs/dbraw/zinc/12/58/33/572125833.db2.gz	ZCXBSXYWOILXOS-VHSXEESVSA-N	0	0	198.331	3.088	10	0		AGAERN
C[C@H](O)C[C@H](C)CCc1ccccc1	82811524	572125870	/nfs/dbraw/zinc/12/58/70/572125870.db2.gz	FADMUUMOVSFZHH-NEPJUHHUSA-N	0	0	192.302	3.026	10	0		AGAERN
CCC[C@H](C)[C@H](O)[C@H]1CC[C@@H](C)C1	300346832	572125918	/nfs/dbraw/zinc/12/59/18/572125918.db2.gz	JXIRDNUCRGZZKF-RHYQMDGZSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)(C)C[C@H](CO)c1ccccc1	713219268	572125971	/nfs/dbraw/zinc/12/59/71/572125971.db2.gz	UFWIAWWKBHGWSB-GFCCVEGCSA-N	0	0	192.302	3.199	10	0		AGAERN
CCC[C@@H](C)[C@H](CC)C(C)=O	300343161	572125982	/nfs/dbraw/zinc/12/59/82/572125982.db2.gz	LDHAFMQUDGWJSU-SCZZXKLOSA-N	0	0	156.269	3.038	10	0		AGAERN
C[C@H](O)C[C@H](C)CCc1ccsc1	82811728	572126099	/nfs/dbraw/zinc/12/60/99/572126099.db2.gz	RGQHJMJISDZYDR-ZJUUUORDSA-N	0	0	198.331	3.088	10	0		AGAERN
C[C@H](O)C[C@@H](C)CCc1ccccc1	82811522	572126025	/nfs/dbraw/zinc/12/60/25/572126025.db2.gz	FADMUUMOVSFZHH-RYUDHWBXSA-N	0	0	192.302	3.026	10	0		AGAERN
CCC[C@@H](C)[C@H](C)C(=O)CC	300345402	572126028	/nfs/dbraw/zinc/12/60/28/572126028.db2.gz	VOMSPPQZOATQNA-BDAKNGLRSA-N	0	0	156.269	3.038	10	0		AGAERN
C[C@@H](O)C[C@H](C)CCC(C)(C)C	82811412	572126056	/nfs/dbraw/zinc/12/60/56/572126056.db2.gz	JMBRDIQSMKTPNB-NXEZZACHSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCCC[C@H](C)C[C@@H](C)O	82811126	572126218	/nfs/dbraw/zinc/12/62/18/572126218.db2.gz	FPWYKPIMDKVGRU-WDEREUQCSA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@@H](C)[C@H](O)C1(C)CCCC1	300345485	572126307	/nfs/dbraw/zinc/12/63/07/572126307.db2.gz	GIGWJYLZPKVFNN-MNOVXSKESA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@H](O)C[C@H](C)CCc1ccsc1	82811724	572126319	/nfs/dbraw/zinc/12/63/19/572126319.db2.gz	RGQHJMJISDZYDR-NXEZZACHSA-N	0	0	198.331	3.088	10	0		AGAERN
CCc1ccc([C@H](C)C[C@@H](C)O)cc1	82811350	572126395	/nfs/dbraw/zinc/12/63/95/572126395.db2.gz	DZBPZCLCQAJTPW-GHMZBOCLSA-N	0	0	192.302	3.123	10	0		AGAERN
CC(C)CC[C@@H](C)Nc1ccccn1	69630366	572126561	/nfs/dbraw/zinc/12/65/61/572126561.db2.gz	SFKKXYHBWTVPMH-LLVKDONJSA-N	0	0	192.306	3.318	10	0		AGAERN
CCCCCC(C)(C)C[C@@H](C)O	82816971	572128460	/nfs/dbraw/zinc/12/84/60/572128460.db2.gz	WYUDTSOYSQMKGP-SNVBAGLBSA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@@H](C)[C@@](C)(O)CC1CCC1	300345028	572126700	/nfs/dbraw/zinc/12/67/00/572126700.db2.gz	FJYZYJLKJOPDIC-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@H](C)C[C@H](C)C[C@@H](C)O	82811548	572126765	/nfs/dbraw/zinc/12/67/65/572126765.db2.gz	BYULJDHGBDPJTA-GARJFASQSA-N	0	0	172.312	3.220	10	0		AGAERN
CC(C)(C)C[C@@H](CO)c1ccccc1	713219269	572126783	/nfs/dbraw/zinc/12/67/83/572126783.db2.gz	UFWIAWWKBHGWSB-LBPRGKRZSA-N	0	0	192.302	3.199	10	0		AGAERN
C[C@@H](O)C[C@H](C)CCc1ccccc1	82811520	572126793	/nfs/dbraw/zinc/12/67/93/572126793.db2.gz	FADMUUMOVSFZHH-VXGBXAGGSA-N	0	0	192.302	3.026	10	0		AGAERN
C[C@H](O)C[C@@H](C)CCc1ccsc1	82811726	572126833	/nfs/dbraw/zinc/12/68/33/572126833.db2.gz	RGQHJMJISDZYDR-UWVGGRQHSA-N	0	0	198.331	3.088	10	0		AGAERN
CC(C)CC[C@H](C)Nc1ccccn1	69630368	572126915	/nfs/dbraw/zinc/12/69/15/572126915.db2.gz	SFKKXYHBWTVPMH-NSHDSACASA-N	0	0	192.306	3.318	10	0		AGAERN
CCc1ccc([C@@H](C)C[C@@H](C)O)cc1	82811347	572126918	/nfs/dbraw/zinc/12/69/18/572126918.db2.gz	DZBPZCLCQAJTPW-WDEREUQCSA-N	0	0	192.302	3.123	10	0		AGAERN
CC[C@]12CCCCC1=C[C@@H](O)CC2	196184173	572126927	/nfs/dbraw/zinc/12/69/27/572126927.db2.gz	YKRZICBJMMWBOM-NWDGAFQWSA-N	0	0	180.291	3.038	10	0		AGAERN
C[C@H](O)C[C@@H](C)CCc1cccs1	82811423	572126928	/nfs/dbraw/zinc/12/69/28/572126928.db2.gz	ZCXBSXYWOILXOS-UWVGGRQHSA-N	0	0	198.331	3.088	10	0		AGAERN
C[C@@H](C[C@@H](C)O)[C@@H]1CCC[C@@H](C)C1	82812068	572126999	/nfs/dbraw/zinc/12/69/99/572126999.db2.gz	JGRDAAYRDDNUIE-WRWGMCAJSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@H](O)C[C@H](C)CCc1cccs1	82811425	572127019	/nfs/dbraw/zinc/12/70/19/572127019.db2.gz	ZCXBSXYWOILXOS-ZJUUUORDSA-N	0	0	198.331	3.088	10	0		AGAERN
CCCCCC[C@@H](C)C[C@@H](C)O	82811124	572127022	/nfs/dbraw/zinc/12/70/22/572127022.db2.gz	FPWYKPIMDKVGRU-GHMZBOCLSA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@@H](C)C(=O)[C@@H]1[C@H]2CCCC[C@H]21	300347644	572127158	/nfs/dbraw/zinc/12/71/58/572127158.db2.gz	LWPAPRHZOIHQNB-WYUUTHIRSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@@H](O)CC(C)(C)CC1CCCC1	82817137	572127356	/nfs/dbraw/zinc/12/73/56/572127356.db2.gz	DDUHSPUHCVVGOD-SNVBAGLBSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@@H](C)[C@H](CO)C(C)(C)C	300348369	572127474	/nfs/dbraw/zinc/12/74/74/572127474.db2.gz	OBIHNKHLIAIERP-ZJUUUORDSA-N	0	0	172.312	3.077	10	0		AGAERN
C/C=C\CC1=CCCC1	81140157	572127477	/nfs/dbraw/zinc/12/74/77/572127477.db2.gz	KZWMNRWQJMTVHI-IHWYPQMZSA-N	0	0	122.211	3.063	10	0		AGAERN
CC(C)CCC(C)(C)C[C@H](C)O	82817051	572127583	/nfs/dbraw/zinc/12/75/83/572127583.db2.gz	HJBSCWAVOXEVQZ-JTQLQIEISA-N	0	0	172.312	3.220	10	0		AGAERN
CC(=O)CC(C)(C)CCC(C)C	82816180	572127616	/nfs/dbraw/zinc/12/76/16/572127616.db2.gz	UONSGTFPUCRIFW-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
CC(=O)CC(C)(C)Cc1cccs1	82816177	572127679	/nfs/dbraw/zinc/12/76/79/572127679.db2.gz	RXMXFBMFAQLEJR-UHFFFAOYSA-N	0	0	196.315	3.296	10	0		AGAERN
CCC[C@@H](C)[C@@](C)(O)C(C)(C)C	300349106	572127681	/nfs/dbraw/zinc/12/76/81/572127681.db2.gz	QBLHTXIKHJVHJA-MWLCHTKSSA-N	0	0	172.312	3.220	10	0		AGAERN
C[C@H](O)CC(C)(C)CC1CCCC1	82817136	572127682	/nfs/dbraw/zinc/12/76/82/572127682.db2.gz	DDUHSPUHCVVGOD-JTQLQIEISA-N	0	0	184.323	3.364	10	0		AGAERN
CC(=O)CC(C)(C)Cc1ccsc1	82816244	572127690	/nfs/dbraw/zinc/12/76/90/572127690.db2.gz	OXANOFURPZLIMW-UHFFFAOYSA-N	0	0	196.315	3.296	10	0		AGAERN
C[C@H](O)CC(C)(C)Cc1ccccc1	82817010	572127691	/nfs/dbraw/zinc/12/76/91/572127691.db2.gz	PVHRAFBEPMAWPR-NSHDSACASA-N	0	0	192.302	3.026	10	0		AGAERN
CCCCS[C@@H]1CCCC(=O)C1	82818351	572127765	/nfs/dbraw/zinc/12/77/65/572127765.db2.gz	HSAUQQQYLCIRIE-SNVBAGLBSA-N	0	0	186.320	3.031	10	0		AGAERN
CC[C@H](C)CC(C)(C)CC(C)=O	82816246	572127814	/nfs/dbraw/zinc/12/78/14/572127814.db2.gz	SHTIZKQPLYTQBT-VIFPVBQESA-N	0	0	170.296	3.428	10	0		AGAERN
CCCCC(C)(C)CC(C)=O	82816204	572128565	/nfs/dbraw/zinc/12/85/65/572128565.db2.gz	CTKGADHXPGQCCX-UHFFFAOYSA-N	0	0	156.269	3.182	10	0		AGAERN
CCC[C@H](C)C(=O)[C@@H]1CCC[C@H]1C	300347714	572128020	/nfs/dbraw/zinc/12/80/20/572128020.db2.gz	MHCRATQRERKZCY-OUAUKWLOSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC[C@H](C)C(=O)[C@@H]1[C@H]2CCCC[C@H]21	300347642	572128031	/nfs/dbraw/zinc/12/80/31/572128031.db2.gz	LWPAPRHZOIHQNB-NNYUYHANSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(=O)CC(C)(C)Cc1ccccc1	82816133	572128093	/nfs/dbraw/zinc/12/80/93/572128093.db2.gz	LPCINFHHRSHADX-UHFFFAOYSA-N	0	0	190.286	3.234	10	0		AGAERN
CCCCCC(C)(C)C[C@H](C)O	82816972	572128097	/nfs/dbraw/zinc/12/80/97/572128097.db2.gz	WYUDTSOYSQMKGP-JTQLQIEISA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@H](C)C(=O)[C@H]1C[C@@H]2C[C@@H]2C1	300348032	572128147	/nfs/dbraw/zinc/12/81/47/572128147.db2.gz	NDUHRJOCAOFTRJ-MMWGEVLESA-N	0	0	180.291	3.038	10	0		AGAERN
C[C@@H](O)CC(C)(C)Cc1ccccc1	82817011	572128576	/nfs/dbraw/zinc/12/85/76/572128576.db2.gz	PVHRAFBEPMAWPR-LLVKDONJSA-N	0	0	192.302	3.026	10	0		AGAERN
CC(C)CCC(C)(C)C[C@@H](C)O	82817050	572128369	/nfs/dbraw/zinc/12/83/69/572128369.db2.gz	HJBSCWAVOXEVQZ-SNVBAGLBSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@H](C)[C@@H](O)[C@H](C)C(C)C	300348253	572128520	/nfs/dbraw/zinc/12/85/20/572128520.db2.gz	NHBQGTOAGIXWJC-HBNTYKKESA-N	0	0	172.312	3.076	10	0		AGAERN
CC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	113616403	572128544	/nfs/dbraw/zinc/12/85/44/572128544.db2.gz	RVVSDLUTCAWSEU-GRYCIOLGSA-N	0	0	180.291	3.182	10	0		AGAERN
CCC[C@@H](C)[C@@](C)(O)CC(C)C	300349313	572128614	/nfs/dbraw/zinc/12/86/14/572128614.db2.gz	QNDTTXOWCNFWBP-MNOVXSKESA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@H](C)[C@H](O)[C@H](C)C(C)C	300348252	572128632	/nfs/dbraw/zinc/12/86/32/572128632.db2.gz	NHBQGTOAGIXWJC-AXFHLTTASA-N	0	0	172.312	3.076	10	0		AGAERN
CCC[C@@H](C)[C@H](CO)c1ccccc1	300347306	572128728	/nfs/dbraw/zinc/12/87/28/572128728.db2.gz	LAQOYNSRPGZVOK-YPMHNXCESA-N	0	0	192.302	3.199	10	0		AGAERN
CCCCS[C@H]1CCCC(=O)C1	82818352	572128829	/nfs/dbraw/zinc/12/88/29/572128829.db2.gz	HSAUQQQYLCIRIE-JTQLQIEISA-N	0	0	186.320	3.031	10	0		AGAERN
CCC[C@H](C)C(=O)[C@H]1CCC[C@H]1C	300347715	572129200	/nfs/dbraw/zinc/12/92/00/572129200.db2.gz	MHCRATQRERKZCY-VWYCJHECSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC[C@@H](C)C(=O)[C@H]1C[C@@H]2C[C@@H]2C1	300348030	572129205	/nfs/dbraw/zinc/12/92/05/572129205.db2.gz	NDUHRJOCAOFTRJ-CHWFTXMASA-N	0	0	180.291	3.038	10	0		AGAERN
CC[C@](C)(O)C1C[C@@H](C)C[C@@H](C)C1	82832993	572129303	/nfs/dbraw/zinc/12/93/03/572129303.db2.gz	RGOXWTCFHKGMFZ-MBYGNEARSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	113616396	572129304	/nfs/dbraw/zinc/12/93/04/572129304.db2.gz	RVVSDLUTCAWSEU-SDDRHHMPSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@@](C)(O)C1C[C@@H](C)C[C@@H](C)C1	82832994	572129643	/nfs/dbraw/zinc/12/96/43/572129643.db2.gz	RGOXWTCFHKGMFZ-AYLPWXGPSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@@](C)(O)C1C[C@@H](C)C[C@@H](C)C1	82833000	572129474	/nfs/dbraw/zinc/12/94/74/572129474.db2.gz	FGXXSSPXZRAVRN-ZGVCCVRISA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)C[C@@H](O)CCc1ccccc1	37465321	572129914	/nfs/dbraw/zinc/12/99/14/572129914.db2.gz	TWYFGMIXKGEXOW-ZDUSSCGKSA-N	0	0	192.302	3.026	10	0		AGAERN
CC(C)[C@@](C)(O)CCc1ccccc1	37463883	572129925	/nfs/dbraw/zinc/12/99/25/572129925.db2.gz	FXALECJTWCVEMI-ZDUSSCGKSA-N	0	0	192.302	3.026	10	0		AGAERN
C[C@@H]1CC(C2(O)CCCC2)C[C@H](C)C1	82832984	572129985	/nfs/dbraw/zinc/12/99/85/572129985.db2.gz	MTGDDVGOGVXURD-FOSCPWQOSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@H](C)[C@@H](O)C1C[C@@H](C)C[C@@H](C)C1	82833095	572130028	/nfs/dbraw/zinc/13/00/28/572130028.db2.gz	ASENIKFDHSFNBX-BLVYXGDSSA-N	0	0	198.350	3.466	10	0		AGAERN
CCCC(=O)C1C[C@@H](C)C[C@@H](C)C1	82833262	572130033	/nfs/dbraw/zinc/13/00/33/572130033.db2.gz	XCYCFIPSEMOISG-ZACCUICWSA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@@H]1CC(C(=O)C2CC2)C[C@H](C)C1	82833265	572130090	/nfs/dbraw/zinc/13/00/90/572130090.db2.gz	ZXJZLSMWCXQSNW-SLHIUPAKSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(C)C[C@H](O)CCc1ccccc1	37465319	572130189	/nfs/dbraw/zinc/13/01/89/572130189.db2.gz	TWYFGMIXKGEXOW-CYBMUJFWSA-N	0	0	192.302	3.026	10	0		AGAERN
CC(C)[C@@H](O)C1C[C@@H](C)C[C@@H](C)C1	82833071	572130191	/nfs/dbraw/zinc/13/01/91/572130191.db2.gz	BFAPEGZCFYIJCH-AYLPWXGPSA-N	0	0	184.323	3.076	10	0		AGAERN
CC[C@@H](CC1CC1)n1cc[nH]c1=S	69667685	572131443	/nfs/dbraw/zinc/13/14/43/572131443.db2.gz	HDJVTYAXFAGKHN-VIFPVBQESA-N	0	0	196.319	3.297	10	0		AGAERN
CCC[C@](O)(c1ccccc1)C(C)C	37462565	572130458	/nfs/dbraw/zinc/13/04/58/572130458.db2.gz	JXCOJNXCMZGBRI-CYBMUJFWSA-N	0	0	192.302	3.330	10	0		AGAERN
CC[C@@H](C)[C@@H](O)C1C[C@@H](C)C[C@@H](C)C1	82833094	572130548	/nfs/dbraw/zinc/13/05/48/572130548.db2.gz	ASENIKFDHSFNBX-CUWLOBTFSA-N	0	0	198.350	3.466	10	0		AGAERN
C[C@H]1C[C@@H](C)CC(O)(C2CCCC2)C1	82831726	572130735	/nfs/dbraw/zinc/13/07/35/572130735.db2.gz	WWOVJMPURICPDW-QYJAPNMZSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)C(=O)C1C[C@@H](C)C[C@@H](C)C1	82833253	572131470	/nfs/dbraw/zinc/13/14/70/572131470.db2.gz	HVXFAOVHJAJSAQ-ZACCUICWSA-N	0	0	182.307	3.284	10	0		AGAERN
CCC[C@](O)(CC)c1ccccc1	37462554	572130807	/nfs/dbraw/zinc/13/08/07/572130807.db2.gz	DGPOGDBVEBWCBK-GFCCVEGCSA-N	0	0	178.275	3.084	10	0		AGAERN
CCCC(O)(CCC)c1ccccc1	37462567	572130879	/nfs/dbraw/zinc/13/08/79/572130879.db2.gz	MFSNZVIZBXRGAV-UHFFFAOYSA-N	0	0	192.302	3.474	10	0		AGAERN
CC[C@H](CC1CC1)n1cccc1	69669640	572131124	/nfs/dbraw/zinc/13/11/24/572131124.db2.gz	CGDVNBKHSLWSLH-LLVKDONJSA-N	0	0	163.264	3.239	10	0		AGAERN
CC(C)CCCC[C@H](O)C(F)(F)F	81170189	572131176	/nfs/dbraw/zinc/13/11/76/572131176.db2.gz	JVNBPZYIRWCHQU-QMMMGPOBSA-N	0	0	198.228	3.126	10	0		AGAERN
CCC(=O)C1C[C@@H](C)C[C@@H](C)C1	82833256	572131228	/nfs/dbraw/zinc/13/12/28/572131228.db2.gz	PWVPDRJOQNCHFD-ULKQDVFKSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@@H](C)[C@H](O)C1C[C@@H](C)C[C@@H](C)C1	82833092	572131321	/nfs/dbraw/zinc/13/13/21/572131321.db2.gz	ASENIKFDHSFNBX-WUUNYJKSSA-N	0	0	198.350	3.466	10	0		AGAERN
C[C@]1(C(=O)C[C@H]2CC=CCC2)C[C@H]1F	402333298	572131347	/nfs/dbraw/zinc/13/13/47/572131347.db2.gz	PDKXRYBRNLPQJR-UMNHJUIQSA-N	0	0	196.265	3.050	10	0		AGAERN
CC[C@H](C)[C@H](O)C1C[C@@H](C)C[C@@H](C)C1	82833093	572131355	/nfs/dbraw/zinc/13/13/55/572131355.db2.gz	ASENIKFDHSFNBX-ZFLPAWGISA-N	0	0	198.350	3.466	10	0		AGAERN
CCC[C@@](O)(c1ccccc1)C(C)C	37462563	572131374	/nfs/dbraw/zinc/13/13/74/572131374.db2.gz	JXCOJNXCMZGBRI-ZDUSSCGKSA-N	0	0	192.302	3.330	10	0		AGAERN
CC[C@@H](CC1CC1)n1cccc1C=O	69669597	572131410	/nfs/dbraw/zinc/13/14/10/572131410.db2.gz	PJCNGKNQUMGMAX-NSHDSACASA-N	0	0	191.274	3.052	10	0		AGAERN
CC[C@H](CC1CC1)Nc1nccs1	69667608	572131492	/nfs/dbraw/zinc/13/14/92/572131492.db2.gz	GXFVDOWHJVALER-SECBINFHSA-N	0	0	196.319	3.134	10	0		AGAERN
CCC(O)(CC)CCc1ccccc1	37463879	572131637	/nfs/dbraw/zinc/13/16/37/572131637.db2.gz	MHDPWNDZRQBPPG-UHFFFAOYSA-N	0	0	192.302	3.170	10	0		AGAERN
CC[C@@H](CC1CC1)Nc1nccs1	69667601	572131957	/nfs/dbraw/zinc/13/19/57/572131957.db2.gz	GXFVDOWHJVALER-VIFPVBQESA-N	0	0	196.319	3.134	10	0		AGAERN
CC(C)[C@](C)(O)CCc1ccccc1	37463881	572132389	/nfs/dbraw/zinc/13/23/89/572132389.db2.gz	FXALECJTWCVEMI-CYBMUJFWSA-N	0	0	192.302	3.026	10	0		AGAERN
C[C@@H]1CC([C@@H]2CCC[C@@H]2O)C[C@@H](C)C1	82833737	572132011	/nfs/dbraw/zinc/13/20/11/572132011.db2.gz	LNRFABXOQUJGNC-UKJIMTQDSA-N	0	0	196.334	3.220	10	0		AGAERN
CC[C@H](CC1CC1)n1cccc1C=O	69669599	572132071	/nfs/dbraw/zinc/13/20/71/572132071.db2.gz	PJCNGKNQUMGMAX-LLVKDONJSA-N	0	0	191.274	3.052	10	0		AGAERN
C[C@@H]1CC([C@@H]2CCCC2=O)C[C@@H](C)C1	82833746	572132077	/nfs/dbraw/zinc/13/20/77/572132077.db2.gz	OIXRZXUUYORMNX-NHCYSSNCSA-N	0	0	194.318	3.428	10	0		AGAERN
CC[C@@H](CC1CC1)Nc1ccccn1	69667477	572132178	/nfs/dbraw/zinc/13/21/78/572132178.db2.gz	WJOAFGFBLJXNHB-NSHDSACASA-N	0	0	190.290	3.072	10	0		AGAERN
CC[C@H](CC1CC1)Nc1ccccn1	69667481	572132310	/nfs/dbraw/zinc/13/23/10/572132310.db2.gz	WJOAFGFBLJXNHB-LLVKDONJSA-N	0	0	190.290	3.072	10	0		AGAERN
C[C@@H]1CC(n2cccc2)C[C@H](C)C1	82833880	572132518	/nfs/dbraw/zinc/13/25/18/572132518.db2.gz	BKZIBZYIYJLCKC-FOSCPWQOSA-N	0	0	177.291	3.485	10	0		AGAERN
C[C@@H]1CC([C@@H]2CCC(=O)C2)C[C@@H](C)C1	82833946	572132591	/nfs/dbraw/zinc/13/25/91/572132591.db2.gz	HBLUIMKGLPOVPN-GARJFASQSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@@H]1CC([C@@H](C)C[C@@H](C)O)C[C@H](C)C1	82834127	572132674	/nfs/dbraw/zinc/13/26/74/572132674.db2.gz	YTMUYHUMFGSLHL-KZKMVBDOSA-N	0	0	198.350	3.466	10	0		AGAERN
Cc1ccn(C2C[C@@H](C)C[C@@H](C)C2)n1	82833892	572132826	/nfs/dbraw/zinc/13/28/26/572132826.db2.gz	AEWIYBZXZCGFIO-DHHPTOIESA-N	0	0	192.306	3.189	10	0		AGAERN
C[C@H]1CC[C@](O)(C2CCCC2)C[C@@H]1C	82838888	572132862	/nfs/dbraw/zinc/13/28/62/572132862.db2.gz	WOWQSNKLLOUOIK-GMXVVIOVSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)C[C@@]1(O)CC[C@H](C)[C@@H](C)C1	82838658	572132995	/nfs/dbraw/zinc/13/29/95/572132995.db2.gz	BFKOHZPZGZNSFC-SRVKXCTJSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1nccn1C1C[C@@H](C)C[C@@H](C)C1	82833886	572133079	/nfs/dbraw/zinc/13/30/79/572133079.db2.gz	ZUYJJLOTVATBEZ-DHHPTOIESA-N	0	0	192.306	3.189	10	0		AGAERN
C[C@H]1CC[C@@](O)(C2CCCC2)C[C@@H]1C	82838892	572133229	/nfs/dbraw/zinc/13/32/29/572133229.db2.gz	WOWQSNKLLOUOIK-GVXVVHGQSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)C[C@@]1(O)CC[C@@H](C)[C@@H](C)C1	82838656	572133232	/nfs/dbraw/zinc/13/32/32/572133232.db2.gz	BFKOHZPZGZNSFC-WOPDTQHZSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(=O)CCC1C[C@@H](C)C[C@@H](C)C1	82833948	572133244	/nfs/dbraw/zinc/13/32/44/572133244.db2.gz	QMJHMYHVXFXWCI-DHHPTOIESA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@@H]1CC([C@@H]2CCCC2=O)C[C@H](C)C1	82833745	572133385	/nfs/dbraw/zinc/13/33/85/572133385.db2.gz	OIXRZXUUYORMNX-MBYGNEARSA-N	0	0	194.318	3.428	10	0		AGAERN
CCC[C@H](C)[C@]1(O)CCC[C@H]1CC	300350036	572133468	/nfs/dbraw/zinc/13/34/68/572133468.db2.gz	SXNCQWABTYQEOS-QJPTWQEYSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H]1CC([C@@H]2CCC[C@@H]2O)C[C@H](C)C1	82833738	572133485	/nfs/dbraw/zinc/13/34/85/572133485.db2.gz	LNRFABXOQUJGNC-AAXDQBDMSA-N	0	0	196.334	3.220	10	0		AGAERN
CCC[C@H](C)[C@@H](O)[C@H]1CC=CCC1	300350220	572133609	/nfs/dbraw/zinc/13/36/09/572133609.db2.gz	UKFWYJUEBZPVGU-SDDRHHMPSA-N	0	0	182.307	3.140	10	0		AGAERN
C[C@@H](CO)CC1C[C@H](C)C[C@@H](C)C1	82834126	572133762	/nfs/dbraw/zinc/13/37/62/572133762.db2.gz	WOPGFWIPDPPDTA-GMTAPVOTSA-N	0	0	184.323	3.077	10	0		AGAERN
C[C@@H]1CC([C@@H]2CCC[C@@H]2O)C[C@H](C)C1	82833736	572133803	/nfs/dbraw/zinc/13/38/03/572133803.db2.gz	LNRFABXOQUJGNC-RSMQCKGYSA-N	0	0	196.334	3.220	10	0		AGAERN
C[C@@H](O)CCC1C[C@H](C)C[C@@H](C)C1	82834097	572134179	/nfs/dbraw/zinc/13/41/79/572134179.db2.gz	WIMAHGRLJMMFBQ-GMTAPVOTSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@@H]1CC([C@@H]2CCC(=O)C2)C[C@H](C)C1	82833945	572134310	/nfs/dbraw/zinc/13/43/10/572134310.db2.gz	HBLUIMKGLPOVPN-FBTJUVTCSA-N	0	0	194.318	3.428	10	0		AGAERN
CCC[C@@H](C)[C@H](O)C1C(C)(C)C1(C)C	300350308	572134458	/nfs/dbraw/zinc/13/44/58/572134458.db2.gz	UVQLEPPDEPQLBO-ZJUUUORDSA-N	0	0	198.350	3.466	10	0		AGAERN
CCC[C@H](C)[C@@]1(O)CCC[C@H]1CC	300350037	572134486	/nfs/dbraw/zinc/13/44/86/572134486.db2.gz	SXNCQWABTYQEOS-TUAOUCFPSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@H]1CC(C[C@@H](C)CO)C[C@H](C)C1	82834124	572134573	/nfs/dbraw/zinc/13/45/73/572134573.db2.gz	WOPGFWIPDPPDTA-FBTJUVTCSA-N	0	0	184.323	3.077	10	0		AGAERN
CCC[C@@H](C)[C@@](O)(CC)C(C)C	300350941	572137036	/nfs/dbraw/zinc/13/70/36/572137036.db2.gz	ZBPFMYGHHRKCSO-GHMZBOCLSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@@H](C)[C@@](C)(O)c1ccccc1	300350459	572135028	/nfs/dbraw/zinc/13/50/28/572135028.db2.gz	VWQCOISIYOEMDV-DGCLKSJQSA-N	0	0	192.302	3.330	10	0		AGAERN
CCCC[C@H](C)[C@H](O)[C@H](C)CC	300954292	572135102	/nfs/dbraw/zinc/13/51/02/572135102.db2.gz	PJVDBLWJXVYZCC-OUAUKWLOSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@H](C)[C@H](O)[C@H]1CC=CCC1	300350221	572135286	/nfs/dbraw/zinc/13/52/86/572135286.db2.gz	UKFWYJUEBZPVGU-SRVKXCTJSA-N	0	0	182.307	3.140	10	0		AGAERN
CCC[C@@H](C)[C@@](C)(CO)CCC	300350867	572135567	/nfs/dbraw/zinc/13/55/67/572135567.db2.gz	YNXFROJXXKJRKE-GHMZBOCLSA-N	0	0	172.312	3.221	10	0		AGAERN
CCC[C@H](C)[C@@H](O)[C@@H]1[C@H]2CCCC[C@H]21	300350707	572136585	/nfs/dbraw/zinc/13/65/85/572136585.db2.gz	XNUOAHBYOXKNBD-KIJLLGNVSA-N	0	0	196.334	3.220	10	0		AGAERN
CCC[C@H](C)[C@H](O)[C@@H]1[C@H]2CCCC[C@H]21	300350709	572136588	/nfs/dbraw/zinc/13/65/88/572136588.db2.gz	XNUOAHBYOXKNBD-YYHQMBLXSA-N	0	0	196.334	3.220	10	0		AGAERN
CCC[C@H](C)[C@H](O)[C@H]1CCC[C@H]1C	300350602	572136673	/nfs/dbraw/zinc/13/66/73/572136673.db2.gz	WWMKOEBVIDWWIC-RHYQMDGZSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC[C@@H](C)[C@H](CO)CC(C)C	300350813	572136750	/nfs/dbraw/zinc/13/67/50/572136750.db2.gz	YDZCABSFHKJWSP-MNOVXSKESA-N	0	0	172.312	3.077	10	0		AGAERN
CCC[C@H](C)[C@H](O)[C@H]1CCC[C@@H]1C	300350600	572137010	/nfs/dbraw/zinc/13/70/10/572137010.db2.gz	WWMKOEBVIDWWIC-BJDJZHNGSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC[C@@H](C)[C@@](O)(CC)CCC	300351871	572137115	/nfs/dbraw/zinc/13/71/15/572137115.db2.gz	FCPXDKRFUOMWIH-GHMZBOCLSA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@H](C)[C@H](C(C)C)[C@H](C)O	300351011	572137311	/nfs/dbraw/zinc/13/73/11/572137311.db2.gz	ZPHYVNULNWDLSV-DCAQKATOSA-N	0	0	172.312	3.076	10	0		AGAERN
CCC[C@H](C)[C@]1(O)CC[C@H](CC)C1	300350674	572137715	/nfs/dbraw/zinc/13/77/15/572137715.db2.gz	XJXYKRLIASAKFM-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@H](C)[C@H](O)[C@@H]1CCC[C@H]1C	300350601	572137925	/nfs/dbraw/zinc/13/79/25/572137925.db2.gz	WWMKOEBVIDWWIC-KXNHARMFSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC[C@H](C)[C@@]1(O)CC[C@H](CC)C1	300350673	572137994	/nfs/dbraw/zinc/13/79/94/572137994.db2.gz	XJXYKRLIASAKFM-SDDRHHMPSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@H]([NH2+]C)c1c(F)cccc1F	69759040	572141116	/nfs/dbraw/zinc/14/11/16/572141116.db2.gz	AMJSGFGMMBZTIR-JTQLQIEISA-N	0	0	199.244	3.025	10	0		AGAERN
CC[NH2+][C@H](CC)c1c(F)cccc1F	69759037	572141929	/nfs/dbraw/zinc/14/19/29/572141929.db2.gz	IEGYPZGBRRLIJL-SNVBAGLBSA-N	0	0	199.244	3.025	10	0		AGAERN
CCCC[C@H](O)c1ccoc1CC	300372156	572142108	/nfs/dbraw/zinc/14/21/08/572142108.db2.gz	FTIVHMCFNGVCMS-JTQLQIEISA-N	0	0	182.263	3.066	10	0		AGAERN
CCC[C@@H]([NH2+]C)c1c(F)cccc1F	69759041	572142800	/nfs/dbraw/zinc/14/28/00/572142800.db2.gz	AMJSGFGMMBZTIR-SNVBAGLBSA-N	0	0	199.244	3.025	10	0		AGAERN
CCC[C@H](O)CCCc1ccsc1	69766507	572143312	/nfs/dbraw/zinc/14/33/12/572143312.db2.gz	ZBEOUOVGUWVODX-NSHDSACASA-N	0	0	198.331	3.232	10	0		AGAERN
CC[C@@H](O)[C@H](C)CCc1ccsc1	69766600	572143373	/nfs/dbraw/zinc/14/33/73/572143373.db2.gz	ZFNXUYMOMAQSRR-MWLCHTKSSA-N	0	0	198.331	3.088	10	0		AGAERN
CC[C@H](C)[C@@H](O)CCc1ccsc1	69766046	572143426	/nfs/dbraw/zinc/14/34/26/572143426.db2.gz	KKDLBVNOWYYUPZ-ONGXEEELSA-N	0	0	198.331	3.088	10	0		AGAERN
CCC(=O)CCCc1ccsc1	69765149	572143457	/nfs/dbraw/zinc/14/34/57/572143457.db2.gz	KWNYIUBKLMWJIM-UHFFFAOYSA-N	0	0	182.288	3.050	10	0		AGAERN
CC(C)C[C@@H](O)CCc1ccsc1	69765939	572143505	/nfs/dbraw/zinc/14/35/05/572143505.db2.gz	BOEVJFUBRXEURL-NSHDSACASA-N	0	0	198.331	3.088	10	0		AGAERN
CC[C@H](C)[C@H](O)CCc1ccsc1	69766041	572143591	/nfs/dbraw/zinc/14/35/91/572143591.db2.gz	KKDLBVNOWYYUPZ-GXSJLCMTSA-N	0	0	198.331	3.088	10	0		AGAERN
CC[C@H](C)C(=O)CCc1ccsc1	69765867	572143596	/nfs/dbraw/zinc/14/35/96/572143596.db2.gz	PBOIQWWMDZBSOG-VIFPVBQESA-N	0	0	196.315	3.296	10	0		AGAERN
CC(C)C[C@H](O)CCc1ccsc1	69765938	572143742	/nfs/dbraw/zinc/14/37/42/572143742.db2.gz	BOEVJFUBRXEURL-LLVKDONJSA-N	0	0	198.331	3.088	10	0		AGAERN
CC[C@H](O)[C@H](C)CCc1ccsc1	69766597	572143706	/nfs/dbraw/zinc/14/37/06/572143706.db2.gz	ZFNXUYMOMAQSRR-KOLCDFICSA-N	0	0	198.331	3.088	10	0		AGAERN
CC[C@@H](O)[C@@H](C)CCc1ccsc1	69766594	572143888	/nfs/dbraw/zinc/14/38/88/572143888.db2.gz	ZFNXUYMOMAQSRR-GXSJLCMTSA-N	0	0	198.331	3.088	10	0		AGAERN
CC[C@@H](C)[C@H](O)CCc1ccsc1	69766039	572143911	/nfs/dbraw/zinc/14/39/11/572143911.db2.gz	KKDLBVNOWYYUPZ-MWLCHTKSSA-N	0	0	198.331	3.088	10	0		AGAERN
CC[C@@H](C)C(=O)CCc1ccsc1	69765865	572143949	/nfs/dbraw/zinc/14/39/49/572143949.db2.gz	PBOIQWWMDZBSOG-SECBINFHSA-N	0	0	196.315	3.296	10	0		AGAERN
CC(C)C[C@H](C)CC1(O)CCCC1	300955209	572143982	/nfs/dbraw/zinc/14/39/82/572143982.db2.gz	QFPATDLQVVGTMI-NSHDSACASA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(=O)[C@H](C)CCc1ccsc1	69765186	572143998	/nfs/dbraw/zinc/14/39/98/572143998.db2.gz	MWQSESOTXIMIQC-SECBINFHSA-N	0	0	196.315	3.296	10	0		AGAERN
CCC(=O)[C@@H](C)CCc1ccsc1	69765184	572144067	/nfs/dbraw/zinc/14/40/67/572144067.db2.gz	MWQSESOTXIMIQC-VIFPVBQESA-N	0	0	196.315	3.296	10	0		AGAERN
CC(C)[C@@H](O)CCCc1ccsc1	69766525	572144193	/nfs/dbraw/zinc/14/41/93/572144193.db2.gz	YNLDAPIPXWNABS-NSHDSACASA-N	0	0	198.331	3.088	10	0		AGAERN
CC(C)CC(=O)CCc1ccsc1	69765786	572144195	/nfs/dbraw/zinc/14/41/95/572144195.db2.gz	PMHQHXVXOUMIKW-UHFFFAOYSA-N	0	0	196.315	3.296	10	0		AGAERN
CC(C)[C@H](O)CCCc1ccsc1	69766522	572144231	/nfs/dbraw/zinc/14/42/31/572144231.db2.gz	YNLDAPIPXWNABS-LLVKDONJSA-N	0	0	198.331	3.088	10	0		AGAERN
CC[C@H](O)[C@@H](C)CCc1ccsc1	69766591	572144262	/nfs/dbraw/zinc/14/42/62/572144262.db2.gz	ZFNXUYMOMAQSRR-ONGXEEELSA-N	0	0	198.331	3.088	10	0		AGAERN
CC(C)C[C@@H](C)CC1(O)CCCC1	300955206	572144294	/nfs/dbraw/zinc/14/42/94/572144294.db2.gz	QFPATDLQVVGTMI-LLVKDONJSA-N	0	0	184.323	3.364	10	0		AGAERN
c1ccc2c(c1)CSCSC2	35288105	572148639	/nfs/dbraw/zinc/14/86/39/572148639.db2.gz	XKBZAEGUFRRDCW-UHFFFAOYSA-N	0	0	182.313	3.124	10	0		AGAERN
CCCCCC[C@@]1(C)CC(=O)CCO1	69853124	572152099	/nfs/dbraw/zinc/15/20/99/572152099.db2.gz	QLEFWACKVLBOPG-LBPRGKRZSA-N	0	0	198.306	3.095	10	0		AGAERN
CCCCCC[C@]1(C)CC(=O)CCO1	69853122	572151386	/nfs/dbraw/zinc/15/13/86/572151386.db2.gz	QLEFWACKVLBOPG-GFCCVEGCSA-N	0	0	198.306	3.095	10	0		AGAERN
CC(C)C[C@@H](O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	82842807	572151892	/nfs/dbraw/zinc/15/18/92/572151892.db2.gz	ORUFLOCYVJRHNM-YVECIDJPSA-N	0	0	198.350	3.466	10	0		AGAERN
C[C@H]1CC[C@@H](n2cccc2)C[C@@H]1C	82844862	572152049	/nfs/dbraw/zinc/15/20/49/572152049.db2.gz	OOLUWUKXQRJJOJ-SDDRHHMPSA-N	0	0	177.291	3.485	10	0		AGAERN
CC(=O)CC[C@H]1CC[C@H](C)[C@@H](C)C1	82845034	572152081	/nfs/dbraw/zinc/15/20/81/572152081.db2.gz	WBIMRNSLQYKFJM-JBLDHEPKSA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@H]1CC[C@H](C(=O)C2CC2)C[C@@H]1C	82843191	572152120	/nfs/dbraw/zinc/15/21/20/572152120.db2.gz	NHXGWTRXPBAYAC-QXEWZRGKSA-N	0	0	180.291	3.038	10	0		AGAERN
C[C@H]1C[C@@H](C[C@@H](C)CO)CC[C@H]1C	82845555	572152217	/nfs/dbraw/zinc/15/22/17/572152217.db2.gz	KXZKZTOYXZXUOU-WISYIIOYSA-N	0	0	184.323	3.077	10	0		AGAERN
C[C@H]1C[C@H]([C@@H]2CCC[C@@H]2O)CC[C@H]1C	82844473	572152408	/nfs/dbraw/zinc/15/24/08/572152408.db2.gz	XJPMWMAEQGSXTN-FHUSYTEZSA-N	0	0	196.334	3.220	10	0		AGAERN
C[C@H]1C[C@H](C[C@@H](C)CO)CC[C@H]1C	82845558	572152517	/nfs/dbraw/zinc/15/25/17/572152517.db2.gz	KXZKZTOYXZXUOU-WYUUTHIRSA-N	0	0	184.323	3.077	10	0		AGAERN
C[C@H]1C[C@@H](CC[C@@H](C)O)CC[C@H]1C	82845483	572152523	/nfs/dbraw/zinc/15/25/23/572152523.db2.gz	CBLPOPCJXVOELF-WRWGMCAJSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@H]1CC[C@@H]([C@@H]2CCC[C@@H]2O)C[C@@H]1C	82844474	572152528	/nfs/dbraw/zinc/15/25/28/572152528.db2.gz	XJPMWMAEQGSXTN-WJTVCTBASA-N	0	0	196.334	3.220	10	0		AGAERN
C[C@H]1CC[C@H]([C@@H]2CCC[C@@H]2O)C[C@@H]1C	82844470	572152582	/nfs/dbraw/zinc/15/25/82/572152582.db2.gz	XJPMWMAEQGSXTN-VLJOUNFMSA-N	0	0	196.334	3.220	10	0		AGAERN
C[C@H]1CC[C@H](C2(O)CCCC2)C[C@@H]1C	82842463	572152676	/nfs/dbraw/zinc/15/26/76/572152676.db2.gz	PIMXNFBNDZLQJQ-SRVKXCTJSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC1CCC(CC[C@@H](C)O)CC1	82856801	572152759	/nfs/dbraw/zinc/15/27/59/572152759.db2.gz	GNTKXNMDEVNKIS-VOMCLLRMSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)C[C@@H](O)[C@H]1CC[C@@H](C)[C@@H](C)C1	82842802	572152796	/nfs/dbraw/zinc/15/27/96/572152796.db2.gz	ORUFLOCYVJRHNM-MROQNXINSA-N	0	0	198.350	3.466	10	0		AGAERN
C[C@H]1CC[C@@H](C(=O)C2CC2)C[C@@H]1C	82843195	572152815	/nfs/dbraw/zinc/15/28/15/572152815.db2.gz	NHXGWTRXPBAYAC-ATZCPNFKSA-N	0	0	180.291	3.038	10	0		AGAERN
CCC[C@H](O)C1CCC(CC)CC1	82848976	572152822	/nfs/dbraw/zinc/15/28/22/572152822.db2.gz	QZQXDWSMGPBSPQ-MCIGGMRASA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H]1C[C@H](CC[C@@H](C)O)CC[C@H]1C	82845486	572153082	/nfs/dbraw/zinc/15/30/82/572153082.db2.gz	CBLPOPCJXVOELF-KXNHARMFSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@@](C)(O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	82842502	572153096	/nfs/dbraw/zinc/15/30/96/572153096.db2.gz	OKSRPBZXEOSVLX-YVECIDJPSA-N	0	0	198.350	3.466	10	0		AGAERN
CCC[C@@H](O)C1CCC(CC)CC1	82848977	572153137	/nfs/dbraw/zinc/15/31/37/572153137.db2.gz	QZQXDWSMGPBSPQ-HTAVTVPLSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC1CCC(CC[C@H](C)O)CC1	82856802	572153279	/nfs/dbraw/zinc/15/32/79/572153279.db2.gz	GNTKXNMDEVNKIS-UNXYVOJBSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H]1CC[C@H]([C@@H]2CCC(=O)C2)C[C@@H]1C	82845028	572153308	/nfs/dbraw/zinc/15/33/08/572153308.db2.gz	GRARZLYGSYPPBH-FIQHERPVSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@H]1CC[C@@H]([C@@H]2CCC(=O)C2)C[C@@H]1C	82845032	572154147	/nfs/dbraw/zinc/15/41/47/572154147.db2.gz	GRARZLYGSYPPBH-NNYUYHANSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(=O)CC[C@H]1CC[C@@H](C)[C@@H](C)C1	82845033	572153419	/nfs/dbraw/zinc/15/34/19/572153419.db2.gz	WBIMRNSLQYKFJM-JFGNBEQYSA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@H]1CC[C@@H](C2(O)CCCC2)C[C@@H]1C	82842467	572153499	/nfs/dbraw/zinc/15/34/99/572153499.db2.gz	PIMXNFBNDZLQJQ-SDDRHHMPSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)[C@@H](O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	82842703	572153508	/nfs/dbraw/zinc/15/35/08/572153508.db2.gz	VGEIUDGZDJVUJR-WRWGMCAJSA-N	0	0	184.323	3.076	10	0		AGAERN
CC(C)C(=O)[C@H]1CC[C@H](C)[C@@H](C)C1	82843145	572153579	/nfs/dbraw/zinc/15/35/79/572153579.db2.gz	OKLQRXNUHFSIOC-DCAQKATOSA-N	0	0	182.307	3.284	10	0		AGAERN
CC[C@H](O)CCC1CCC(C)CC1	82856830	572154170	/nfs/dbraw/zinc/15/41/70/572154170.db2.gz	LCVJGCPRVCCKPX-MCIGGMRASA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H]1C[C@H]([C@@H]2CCCC2=O)CC[C@H]1C	82844502	572153562	/nfs/dbraw/zinc/15/35/62/572153562.db2.gz	DAPQUWFCCRECLZ-KXNHARMFSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@H]1CC[C@@H]([C@@H]2CCCC2=O)C[C@@H]1C	82844504	572153654	/nfs/dbraw/zinc/15/36/54/572153654.db2.gz	DAPQUWFCCRECLZ-YFKTTZPYSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)[C@@H](O)[C@H]1CC[C@@H](C)[C@@H](C)C1	82842697	572153735	/nfs/dbraw/zinc/15/37/35/572153735.db2.gz	VGEIUDGZDJVUJR-NOOOWODRSA-N	0	0	184.323	3.076	10	0		AGAERN
CC(C)C(=O)[C@H]1CC[C@@H](C)[C@@H](C)C1	82843143	572153750	/nfs/dbraw/zinc/15/37/50/572153750.db2.gz	OKLQRXNUHFSIOC-VWYCJHECSA-N	0	0	182.307	3.284	10	0		AGAERN
C[C@H]1C[C@H]([C@@H]2CCC(=O)C2)CC[C@H]1C	82845031	572153827	/nfs/dbraw/zinc/15/38/27/572153827.db2.gz	GRARZLYGSYPPBH-WRWGMCAJSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@H]1CC[C@H](n2cccc2)C[C@@H]1C	82844860	572153836	/nfs/dbraw/zinc/15/38/36/572153836.db2.gz	OOLUWUKXQRJJOJ-SRVKXCTJSA-N	0	0	177.291	3.485	10	0		AGAERN
C[C@H]1C[C@H]([C@@H](C)C[C@@H](C)O)CC[C@H]1C	82845570	572154000	/nfs/dbraw/zinc/15/40/00/572154000.db2.gz	XVGSCVLCQDDKRL-KSSYENDESA-N	0	0	198.350	3.466	10	0		AGAERN
C[C@H]1CC[C@H]([C@@H]2CCCC2=O)C[C@@H]1C	82844501	572154096	/nfs/dbraw/zinc/15/40/96/572154096.db2.gz	DAPQUWFCCRECLZ-BJDJZHNGSA-N	0	0	194.318	3.428	10	0		AGAERN
CC1CCC(CC[C@H](O)C2CC2)CC1	82856838	572154531	/nfs/dbraw/zinc/15/45/31/572154531.db2.gz	BDIYUYLLFXSMKG-XIVSLSHWSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1cccc([C@@H](O)CCC(C)C)c1	43374336	572154561	/nfs/dbraw/zinc/15/45/61/572154561.db2.gz	SPYXLKCOXBQRRQ-ZDUSSCGKSA-N	0	0	192.302	3.465	10	0		AGAERN
CC1CCC(CC[C@@H](O)C2CC2)CC1	82856839	572155869	/nfs/dbraw/zinc/15/58/69/572155869.db2.gz	BDIYUYLLFXSMKG-GCZXYKMCSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@H](O)CCC1CCC(C)CC1	82856831	572155942	/nfs/dbraw/zinc/15/59/42/572155942.db2.gz	LCVJGCPRVCCKPX-HTAVTVPLSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C[C@H](C)CC(C)C)[C@H](C)O	300956729	572156400	/nfs/dbraw/zinc/15/64/00/572156400.db2.gz	QKFOKAOKUGJAOY-GRYCIOLGSA-N	0	0	186.339	3.466	10	0		AGAERN
CCc1ccc(O[C@H](C)CC)cc1	82865283	572157403	/nfs/dbraw/zinc/15/74/03/572157403.db2.gz	HULCESWZSBYHAA-SNVBAGLBSA-N	0	0	178.275	3.426	10	0		AGAERN
CC[C@H](C[C@H](C)CC(C)C)[C@@H](C)O	300956730	572157550	/nfs/dbraw/zinc/15/75/50/572157550.db2.gz	QKFOKAOKUGJAOY-IJLUTSLNSA-N	0	0	186.339	3.466	10	0		AGAERN
CC[C@H](C)COc1ccccc1C	82865119	572157584	/nfs/dbraw/zinc/15/75/84/572157584.db2.gz	JFAXWBSBFJOURJ-JTQLQIEISA-N	0	0	178.275	3.420	10	0		AGAERN
CC[C@H](C)COc1cccc(C)c1	82865231	572157792	/nfs/dbraw/zinc/15/77/92/572157792.db2.gz	PYWLOZWXRHOAOC-JTQLQIEISA-N	0	0	178.275	3.420	10	0		AGAERN
CC[C@@H](C)COc1cccc(C)c1	82865230	572157987	/nfs/dbraw/zinc/15/79/87/572157987.db2.gz	PYWLOZWXRHOAOC-SNVBAGLBSA-N	0	0	178.275	3.420	10	0		AGAERN
CC[C@@H](C)COc1ccccc1C	82865118	572158190	/nfs/dbraw/zinc/15/81/90/572158190.db2.gz	JFAXWBSBFJOURJ-SNVBAGLBSA-N	0	0	178.275	3.420	10	0		AGAERN
CC[C@H](C[C@@H](C)CC(C)C)[C@@H](C)O	300956731	572158550	/nfs/dbraw/zinc/15/85/50/572158550.db2.gz	QKFOKAOKUGJAOY-QJPTWQEYSA-N	0	0	186.339	3.466	10	0		AGAERN
CCCNc1ccc(C(=O)CC)cc1	71505958	572158584	/nfs/dbraw/zinc/15/85/84/572158584.db2.gz	FHPAGYJKDHZUEB-UHFFFAOYSA-N	0	0	191.274	3.101	10	0		AGAERN
CCCSCc1ccc(N)cc1F	82864869	572158615	/nfs/dbraw/zinc/15/86/15/572158615.db2.gz	DKWUWDGAOYSRLA-UHFFFAOYSA-N	0	0	199.294	3.051	10	0		AGAERN
CC[C@H](C)COc1ccc(C)cc1	82865176	572158644	/nfs/dbraw/zinc/15/86/44/572158644.db2.gz	CJKGVRQKXXJIRR-JTQLQIEISA-N	0	0	178.275	3.420	10	0		AGAERN
CCCSCc1ccc(F)cc1N	82864689	572158743	/nfs/dbraw/zinc/15/87/43/572158743.db2.gz	VQJYVWBZVQJNCF-UHFFFAOYSA-N	0	0	199.294	3.051	10	0		AGAERN
C[C@H]1CC[C@@H](C)[C@](O)(C2CCCC2)C1	82861581	572158963	/nfs/dbraw/zinc/15/89/63/572158963.db2.gz	GZJOOWYMPPRZTG-LOWVWBTDSA-N	0	0	196.334	3.364	10	0		AGAERN
CCc1ccc(O[C@@H](C)CC)cc1	82865282	572159159	/nfs/dbraw/zinc/15/91/59/572159159.db2.gz	HULCESWZSBYHAA-JTQLQIEISA-N	0	0	178.275	3.426	10	0		AGAERN
C[C@H]1CCC[C@](O)(C2CCCC2)[C@@H]1C	82861195	572159184	/nfs/dbraw/zinc/15/91/84/572159184.db2.gz	LQVXJOAQWGJKSW-DMDPSCGWSA-N	0	0	196.334	3.364	10	0		AGAERN
CCCCCNc1ccc(O)c(F)c1	82878725	572159788	/nfs/dbraw/zinc/15/97/88/572159788.db2.gz	LOPFPIRHQATPHF-UHFFFAOYSA-N	0	0	197.253	3.133	10	0		AGAERN
CCc1cccc(O[C@H](C)CC)c1	82865301	572160586	/nfs/dbraw/zinc/16/05/86/572160586.db2.gz	MQAVMRAEUGFCAX-SNVBAGLBSA-N	0	0	178.275	3.426	10	0		AGAERN
C/C=C/COc1ccccc1CC	82865328	572160062	/nfs/dbraw/zinc/16/00/62/572160062.db2.gz	ARLYIBNWKYKOQF-HWKANZROSA-N	0	0	176.259	3.204	10	0		AGAERN
CCc1cccc(O[C@@H](C)CC)c1	82865300	572160429	/nfs/dbraw/zinc/16/04/29/572160429.db2.gz	MQAVMRAEUGFCAX-JTQLQIEISA-N	0	0	178.275	3.426	10	0		AGAERN
CCc1ccccc1O[C@H](C)CC	82865321	572160571	/nfs/dbraw/zinc/16/05/71/572160571.db2.gz	YFTAERPTSASFNV-SNVBAGLBSA-N	0	0	178.275	3.426	10	0		AGAERN
CC[C@H]1CCNc2c(C)cccc2N1	234066275	572160669	/nfs/dbraw/zinc/16/06/69/572160669.db2.gz	JNCKURFLSPJJON-JTQLQIEISA-N	0	0	190.290	3.001	10	0		AGAERN
CCc1ccccc1OCC1CC1	82865329	572161318	/nfs/dbraw/zinc/16/13/18/572161318.db2.gz	VZIHAFKNRFXSDE-UHFFFAOYSA-N	0	0	176.259	3.038	10	0		AGAERN
CCC[C@@H](C)Cn1ccnc1C(C)C	69950229	572162163	/nfs/dbraw/zinc/16/21/63/572162163.db2.gz	GBMDBECTSHDWPR-LLVKDONJSA-N	0	0	194.322	3.443	10	0		AGAERN
CCC[C@@H](C)CCc1cccnc1N	69944270	572162585	/nfs/dbraw/zinc/16/25/85/572162585.db2.gz	QSCVLPAHJXPFGR-SNVBAGLBSA-N	0	0	192.306	3.033	10	0		AGAERN
CCCCCC(=O)c1ccoc1	69946138	572162539	/nfs/dbraw/zinc/16/25/39/572162539.db2.gz	AVFZWCCHTVHRMN-UHFFFAOYSA-N	0	0	166.220	3.043	10	0		AGAERN
CCC[C@H](C)Cn1ccnc1C(C)C	69950230	572163215	/nfs/dbraw/zinc/16/32/15/572163215.db2.gz	GBMDBECTSHDWPR-NSHDSACASA-N	0	0	194.322	3.443	10	0		AGAERN
CCC[C@H](C)C[C@H](O)c1ccoc1	69946207	572163472	/nfs/dbraw/zinc/16/34/72/572163472.db2.gz	LNQLEJAGLSOVOR-ONGXEEELSA-N	0	0	182.263	3.139	10	0		AGAERN
CCC[C@H](C)CCc1cccnc1N	69944271	572163625	/nfs/dbraw/zinc/16/36/25/572163625.db2.gz	QSCVLPAHJXPFGR-JTQLQIEISA-N	0	0	192.306	3.033	10	0		AGAERN
CCCCCC(=O)[C@@H]1CCCS1	69984719	572165827	/nfs/dbraw/zinc/16/58/27/572165827.db2.gz	DSHAMEKRWXJDET-JTQLQIEISA-N	0	0	186.320	3.031	10	0		AGAERN
CCCc1nccn1C[C@@H](C)CCC	69963963	572164489	/nfs/dbraw/zinc/16/44/89/572164489.db2.gz	QLGVELKDISFTQN-NSHDSACASA-N	0	0	194.322	3.272	10	0		AGAERN
CCC[C@@H](C)C[C@@H](O)c1ccoc1	69946208	572164705	/nfs/dbraw/zinc/16/47/05/572164705.db2.gz	LNQLEJAGLSOVOR-MWLCHTKSSA-N	0	0	182.263	3.139	10	0		AGAERN
CCCCCCNc1ncccc1C	70020118	572165448	/nfs/dbraw/zinc/16/54/48/572165448.db2.gz	DUTOOQPYFXQBTC-UHFFFAOYSA-N	0	0	192.306	3.382	10	0		AGAERN
CCCC[C@@H](CC)C(=O)CSC	69984553	572165564	/nfs/dbraw/zinc/16/55/64/572165564.db2.gz	WAZXDDIFZHPPTF-SECBINFHSA-N	0	0	188.336	3.135	10	0		AGAERN
CCCC[C@H](CC)C(=O)CSC	69984555	572167014	/nfs/dbraw/zinc/16/70/14/572167014.db2.gz	WAZXDDIFZHPPTF-VIFPVBQESA-N	0	0	188.336	3.135	10	0		AGAERN
CCCCCCNc1ccc(C)cn1	70020114	572167504	/nfs/dbraw/zinc/16/75/04/572167504.db2.gz	WFAKXOSCXPYHRE-UHFFFAOYSA-N	0	0	192.306	3.382	10	0		AGAERN
CN1C=CC(C(C)(C)C)=C/C1=C/N=O	221019124	572167555	/nfs/dbraw/zinc/16/75/55/572167555.db2.gz	ZXHDRXUTSNBHOE-NTMALXAHSA-N	0	0	192.262	3.026	10	0		AGAERN
CCC(=O)c1cc2cccc(C)c2[nH]1	206468219	572169951	/nfs/dbraw/zinc/16/99/51/572169951.db2.gz	DLFHMKVPBQNCGY-UHFFFAOYSA-N	0	0	187.242	3.069	10	0		AGAERN
CCC[C@@H](C)C[C@@H]1CCC(=O)[C@@H]1C	83002378	572168557	/nfs/dbraw/zinc/16/85/57/572168557.db2.gz	LFNDOOPKFYEKDN-MXWKQRLJSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC[C@H](C)C[C@H]1CCC(=O)[C@@H]1C	83002383	572168849	/nfs/dbraw/zinc/16/88/49/572168849.db2.gz	LFNDOOPKFYEKDN-HBNTYKKESA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H](C)C[C@@H]1CCC(=O)[C@@H]1C	83001953	572169218	/nfs/dbraw/zinc/16/92/18/572169218.db2.gz	YHNUZCRCTODLAE-BBBLOLIVSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC[C@@H](C)C[C@H]1CCC(=O)[C@@H]1C	83002381	572169229	/nfs/dbraw/zinc/16/92/29/572169229.db2.gz	LFNDOOPKFYEKDN-GMTAPVOTSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC[C@H](C)C[C@@H]1CCC(=O)[C@@H]1C	83002380	572169321	/nfs/dbraw/zinc/16/93/21/572169321.db2.gz	LFNDOOPKFYEKDN-AXFHLTTASA-N	0	0	182.307	3.428	10	0		AGAERN
CCCCC[C@H]1CCC(=O)[C@H]1C	83001614	572169523	/nfs/dbraw/zinc/16/95/23/572169523.db2.gz	HVUHGDCPFBXESX-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCCC[C@H]1CCC(=O)[C@@H]1C	83001612	572170509	/nfs/dbraw/zinc/17/05/09/572170509.db2.gz	HVUHGDCPFBXESX-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H](C)C[C@H]1CCC(=O)[C@@H]1C	83001955	572170538	/nfs/dbraw/zinc/17/05/38/572170538.db2.gz	YHNUZCRCTODLAE-OPRDCNLKSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCCC[C@@H]1CCC(=O)[C@@H]1C	83001611	572170650	/nfs/dbraw/zinc/17/06/50/572170650.db2.gz	HVUHGDCPFBXESX-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
C[C@@H]1CCC[C@@H]([C@@H]2CCC(=O)[C@@H]2C)C1	83002178	572170772	/nfs/dbraw/zinc/17/07/72/572170772.db2.gz	JEOIPTWZRHUWEB-DDHJBXDOSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@H]1CCC[C@H](n2cccc2C=O)C1	35431232	572171033	/nfs/dbraw/zinc/17/10/33/572171033.db2.gz	LOJASCASRHHPHV-QWRGUYRKSA-N	0	0	191.274	3.052	10	0		AGAERN
C[C@H]1CCC[C@@H](n2cccc2C=O)C1	35431235	572171240	/nfs/dbraw/zinc/17/12/40/572171240.db2.gz	LOJASCASRHHPHV-WDEREUQCSA-N	0	0	191.274	3.052	10	0		AGAERN
C/C=C\CCCCCC[C@H](C)O	393346399	572171539	/nfs/dbraw/zinc/17/15/39/572171539.db2.gz	DKFDHHJPJAXXEE-BYCRGOAPSA-N	0	0	170.296	3.284	10	0		AGAERN
CCCCCNc1cc(N)cc(F)c1	37666709	572171634	/nfs/dbraw/zinc/17/16/34/572171634.db2.gz	OWJLHKNQVASNRZ-UHFFFAOYSA-N	0	0	196.269	3.010	10	0		AGAERN
CCCCSc1cc(N)cc(F)c1	37668202	572171769	/nfs/dbraw/zinc/17/17/69/572171769.db2.gz	WNZLAGVIYUGJFC-UHFFFAOYSA-N	0	0	199.294	3.300	10	0		AGAERN
CC1CCC(n2cccc2C=O)CC1	35431375	572171874	/nfs/dbraw/zinc/17/18/74/572171874.db2.gz	SBWKWHQPMQYYIP-UHFFFAOYSA-N	0	0	191.274	3.052	10	0		AGAERN
C[C@@H]1CCC[C@@H](n2cccc2C=O)C1	35431233	572172219	/nfs/dbraw/zinc/17/22/19/572172219.db2.gz	LOJASCASRHHPHV-GHMZBOCLSA-N	0	0	191.274	3.052	10	0		AGAERN
C[C@@H]1CCC[C@H](n2cccc2C=O)C1	35431230	572172831	/nfs/dbraw/zinc/17/28/31/572172831.db2.gz	LOJASCASRHHPHV-MNOVXSKESA-N	0	0	191.274	3.052	10	0		AGAERN
C/C=C\CCCCCC[C@@H](C)O	393346400	572172844	/nfs/dbraw/zinc/17/28/44/572172844.db2.gz	DKFDHHJPJAXXEE-DLRQAJBASA-N	0	0	170.296	3.284	10	0		AGAERN
CCCCSc1cccc(N)c1	37668201	572173637	/nfs/dbraw/zinc/17/36/37/572173637.db2.gz	XRBUQQBGQMTBMP-UHFFFAOYSA-N	0	0	181.304	3.161	10	0		AGAERN
CC(=O)CCSC1CCCCC1	37687439	572175458	/nfs/dbraw/zinc/17/54/58/572175458.db2.gz	ZTIOAYRXBSXHHG-UHFFFAOYSA-N	0	0	186.320	3.031	10	0		AGAERN
CC[C@@H](C)C[C@H](O)C1(C)CCCC1	229282943	572176318	/nfs/dbraw/zinc/17/63/18/572176318.db2.gz	MKCYVODZZRHNTJ-MNOVXSKESA-N	0	0	184.323	3.364	10	0		AGAERN
CCCCC(=O)c1[nH]c(C)c(C)c1C	70079240	572176606	/nfs/dbraw/zinc/17/66/06/572176606.db2.gz	JEVFYYBKLZOBPX-UHFFFAOYSA-N	0	0	193.290	3.313	10	0		AGAERN
CCCC[C@@H](C)[C@H](O)Cc1ccoc1	300963276	572180347	/nfs/dbraw/zinc/18/03/47/572180347.db2.gz	QUSMMAYFRRGGPH-ZYHUDNBSSA-N	0	0	196.290	3.009	10	0		AGAERN
CCCC[C@H](C)[C@H](O)Cc1ccoc1	300963273	572180359	/nfs/dbraw/zinc/18/03/59/572180359.db2.gz	QUSMMAYFRRGGPH-CMPLNLGQSA-N	0	0	196.290	3.009	10	0		AGAERN
CC(C)(C)CCC(=O)Cc1ccoc1	300963119	572180382	/nfs/dbraw/zinc/18/03/82/572180382.db2.gz	YSHLJXFLSRXQLO-UHFFFAOYSA-N	0	0	194.274	3.218	10	0		AGAERN
CC(C)C[C@@H](C)n1cccc1	35651164	572180763	/nfs/dbraw/zinc/18/07/63/572180763.db2.gz	DYRJUEVDGBOAIO-SNVBAGLBSA-N	0	0	151.253	3.095	10	0		AGAERN
CCCC[C@@H](C)[C@@H](O)Cc1ccoc1	300963275	572180883	/nfs/dbraw/zinc/18/08/83/572180883.db2.gz	QUSMMAYFRRGGPH-PWSUYJOCSA-N	0	0	196.290	3.009	10	0		AGAERN
CC(C)C[C@H](C)n1cccc1	35651165	572181174	/nfs/dbraw/zinc/18/11/74/572181174.db2.gz	DYRJUEVDGBOAIO-JTQLQIEISA-N	0	0	151.253	3.095	10	0		AGAERN
Cc1ccc(C)n1[C@@H](C)C(C)C	35651170	572181468	/nfs/dbraw/zinc/18/14/68/572181468.db2.gz	NPXHJRGPLBIVQN-NSHDSACASA-N	0	0	165.280	3.322	10	0		AGAERN
CCCC[C@H](C)[C@@H](O)Cc1ccoc1	300963274	572181574	/nfs/dbraw/zinc/18/15/74/572181574.db2.gz	QUSMMAYFRRGGPH-JQWIXIFHSA-N	0	0	196.290	3.009	10	0		AGAERN
Cc1ccc(C)n1CC1CCCC1	35651163	572181749	/nfs/dbraw/zinc/18/17/49/572181749.db2.gz	SJQPZCDOTDPDAP-UHFFFAOYSA-N	0	0	177.291	3.295	10	0		AGAERN
CCC(C)(C)n1c(C)ccc1C	35651197	572181756	/nfs/dbraw/zinc/18/17/56/572181756.db2.gz	RKVNOUMYHPBHIV-UHFFFAOYSA-N	0	0	165.280	3.250	10	0		AGAERN
CCCCn1c(C(C)C)c[nH]c1=S	82944582	572182047	/nfs/dbraw/zinc/18/20/47/572182047.db2.gz	IKFNBXCCKPRKAV-UHFFFAOYSA-N	0	0	198.335	3.469	10	0		AGAERN
CCC(=O)[C@@H](C)OC1CCCCCC1	82948621	572182280	/nfs/dbraw/zinc/18/22/80/572182280.db2.gz	QAOBJBQEYFRTGH-SNVBAGLBSA-N	0	0	198.306	3.093	10	0		AGAERN
Cc1ccc(C)n1[C@H](C)c1ccco1	35739949	572182341	/nfs/dbraw/zinc/18/23/41/572182341.db2.gz	JWTTVWKLIDIUEV-LLVKDONJSA-N	0	0	189.258	3.307	10	0		AGAERN
CCC(=O)[C@H](C)OC1CCCCCC1	82948623	572182729	/nfs/dbraw/zinc/18/27/29/572182729.db2.gz	QAOBJBQEYFRTGH-JTQLQIEISA-N	0	0	198.306	3.093	10	0		AGAERN
CC(C)(C)CCC(=O)c1ccc[nH]1	300965605	572183006	/nfs/dbraw/zinc/18/30/06/572183006.db2.gz	ZBCNZNQQXGANRW-UHFFFAOYSA-N	0	0	179.263	3.024	10	0		AGAERN
CCC(=O)[C@@H](C)SC1CCCC1	82948913	572183811	/nfs/dbraw/zinc/18/38/11/572183811.db2.gz	DFUGXMCXNQWMHY-MRVPVSSYSA-N	0	0	186.320	3.030	10	0		AGAERN
CCn1c(C)cc2ccnc(Cl)c21	35784460	572183835	/nfs/dbraw/zinc/18/38/35/572183835.db2.gz	WXMUYHHORGDRFH-UHFFFAOYSA-N	0	0	194.665	3.018	10	0		AGAERN
C[C@@H]1CCc2cc(Cl)ccc2NC1	219872181	572185213	/nfs/dbraw/zinc/18/52/13/572185213.db2.gz	SMPPUPJSXPDSRN-MRVPVSSYSA-N	0	0	195.693	3.334	10	0		AGAERN
CC(C)CC[C@H](O)C[C@H]1C[C@H]1C1CC1	711919846	572185320	/nfs/dbraw/zinc/18/53/20/572185320.db2.gz	LIHGILOGQPMTTP-AVGNSLFASA-N	0	0	196.334	3.220	10	0		AGAERN
CCC(=O)[C@H](C)SC1CCCC1	82948915	572185428	/nfs/dbraw/zinc/18/54/28/572185428.db2.gz	DFUGXMCXNQWMHY-QMMMGPOBSA-N	0	0	186.320	3.030	10	0		AGAERN
CC[C@@H](C)[C@](C)(O)Cc1ccccc1	37745638	572185630	/nfs/dbraw/zinc/18/56/30/572185630.db2.gz	KBTAEODWQGSMTJ-DGCLKSJQSA-N	0	0	192.302	3.026	10	0		AGAERN
CC[C@@H](C)[C@@](C)(O)Cc1ccccc1	37745640	572185811	/nfs/dbraw/zinc/18/58/11/572185811.db2.gz	KBTAEODWQGSMTJ-YPMHNXCESA-N	0	0	192.302	3.026	10	0		AGAERN
CC(C)C[C@H](C)C[C@H](O)C1CCC1	300967701	572186161	/nfs/dbraw/zinc/18/61/61/572186161.db2.gz	RSCUBJKDZWFXMI-JQWIXIFHSA-N	0	0	184.323	3.220	10	0		AGAERN
C1=Nc2ccccc2C12CCCC2	35923575	572186285	/nfs/dbraw/zinc/18/62/85/572186285.db2.gz	KIKACLMQPSWCBX-UHFFFAOYSA-N	0	0	171.243	3.214	10	0		AGAERN
CC1CCC([C@H]2CC[C@H](O)[C@@H]2C)CC1	83035904	572186232	/nfs/dbraw/zinc/18/62/32/572186232.db2.gz	PYTQIVZRFWGDSG-LSBUWSJDSA-N	0	0	196.334	3.220	10	0		AGAERN
Fc1ccccc1Oc1ccncc1	35803479	572186523	/nfs/dbraw/zinc/18/65/23/572186523.db2.gz	RLHSLUHYKAFELH-UHFFFAOYSA-N	0	0	189.189	3.013	10	0		AGAERN
CC(C)C[C@H](C)C[C@@H](O)C1CCC1	300967698	572186466	/nfs/dbraw/zinc/18/64/66/572186466.db2.gz	RSCUBJKDZWFXMI-CMPLNLGQSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@H](C)C[C@H](O)c1ccoc1	300967860	572186695	/nfs/dbraw/zinc/18/66/95/572186695.db2.gz	RTFFDAIZPYZIEY-JQWIXIFHSA-N	0	0	196.290	3.385	10	0		AGAERN
CCCCCOc1cccnc1Cl	83119354	572186743	/nfs/dbraw/zinc/18/67/43/572186743.db2.gz	HEVOENZALBCBGS-UHFFFAOYSA-N	0	0	199.681	3.304	10	0		AGAERN
CC(C)C[C@@H](C)C[C@@H](O)c1ccoc1	300967866	572186833	/nfs/dbraw/zinc/18/68/33/572186833.db2.gz	RTFFDAIZPYZIEY-ZYHUDNBSSA-N	0	0	196.290	3.385	10	0		AGAERN
CCC[C@H](C)[C@H](O)C[C@@H]1C[C@H]1C1CC1	711923335	572186855	/nfs/dbraw/zinc/18/68/55/572186855.db2.gz	WWSRUSYCQWHITA-XYJRDEOASA-N	0	0	196.334	3.220	10	0		AGAERN
CCCCCC[C@H]1CC[C@H](O)[C@@H]1C	83035729	572186890	/nfs/dbraw/zinc/18/68/90/572186890.db2.gz	XAIUMMPYDUHQGT-WOPDTQHZSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1ccc(NC2CC2)c2cccnc12	235883453	572187020	/nfs/dbraw/zinc/18/70/20/572187020.db2.gz	OQGZBIXVROZQAV-UHFFFAOYSA-N	0	0	198.269	3.118	10	0		AGAERN
CC(C)C[C@@H](C)C[C@H](O)c1ccoc1	300967863	572187066	/nfs/dbraw/zinc/18/70/66/572187066.db2.gz	RTFFDAIZPYZIEY-PWSUYJOCSA-N	0	0	196.290	3.385	10	0		AGAERN
CC(C)(C)CCC(=O)C1CCC1	83120253	572187092	/nfs/dbraw/zinc/18/70/92/572187092.db2.gz	UVAIDMNTDBAFSF-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CC1CCC([C@H]2CC[C@@H](O)[C@@H]2C)CC1	83035911	572187085	/nfs/dbraw/zinc/18/70/85/572187085.db2.gz	PYTQIVZRFWGDSG-ZWMSFMBMSA-N	0	0	196.334	3.220	10	0		AGAERN
CC[C@H](C)[C@](C)(O)Cc1ccccc1	37745639	572187137	/nfs/dbraw/zinc/18/71/37/572187137.db2.gz	KBTAEODWQGSMTJ-WCQYABFASA-N	0	0	192.302	3.026	10	0		AGAERN
CC(C)C[C@H](C)C[C@@H](O)c1ccoc1	300967858	572187158	/nfs/dbraw/zinc/18/71/58/572187158.db2.gz	RTFFDAIZPYZIEY-CMPLNLGQSA-N	0	0	196.290	3.385	10	0		AGAERN
CC(C)C[C@@H](C)C[C@@H](O)C1CCC1	300967707	572187163	/nfs/dbraw/zinc/18/71/63/572187163.db2.gz	RSCUBJKDZWFXMI-ZYHUDNBSSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC[C@H](C)CC(=O)C1CCC1	83120306	572187170	/nfs/dbraw/zinc/18/71/70/572187170.db2.gz	GYVVAHXRWYCZQG-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CCCCCC[C@H]1CC[C@@H](O)[C@@H]1C	83035733	572187196	/nfs/dbraw/zinc/18/71/96/572187196.db2.gz	XAIUMMPYDUHQGT-GRYCIOLGSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@H](C)C[C@@H]1CC[C@H](O)[C@@H]1C	83035370	572187203	/nfs/dbraw/zinc/18/72/03/572187203.db2.gz	BPKQEYFUYKTHTC-USZNOCQGSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC[C@H](C)[C@H](O)C[C@H]1C[C@H]1C1CC1	711923338	572187214	/nfs/dbraw/zinc/18/72/14/572187214.db2.gz	WWSRUSYCQWHITA-ZBAXXZLZSA-N	0	0	196.334	3.220	10	0		AGAERN
CCCCCCC(=O)C1CCC1	83120273	572187453	/nfs/dbraw/zinc/18/74/53/572187453.db2.gz	ILZHLBRTPNLGML-UHFFFAOYSA-N	0	0	168.280	3.326	10	0		AGAERN
CC[C@H](C)[C@@](C)(O)Cc1ccccc1	37745641	572187575	/nfs/dbraw/zinc/18/75/75/572187575.db2.gz	KBTAEODWQGSMTJ-AAEUAGOBSA-N	0	0	192.302	3.026	10	0		AGAERN
CC(C)(C)CCCNOC1CCCC1	300968400	572188121	/nfs/dbraw/zinc/18/81/21/572188121.db2.gz	ZKRMFTKBHUMNLO-UHFFFAOYSA-N	0	0	199.338	3.277	10	0		AGAERN
CCC[C@H](C)[C@H](O)C[C@@H]1C[C@@H]1C1CC1	711923329	572187759	/nfs/dbraw/zinc/18/77/59/572187759.db2.gz	WWSRUSYCQWHITA-FTYKPCCVSA-N	0	0	196.334	3.220	10	0		AGAERN
C[C@H]1CC[C@H](n2cccc2)[C@@H]1C	83046311	572188802	/nfs/dbraw/zinc/18/88/02/572188802.db2.gz	NOGHQJCUSZCXRM-AXFHLTTASA-N	0	0	163.264	3.095	10	0		AGAERN
CCC(C)(C)c1cc(OC)ccc1O	35803519	572187737	/nfs/dbraw/zinc/18/77/37/572187737.db2.gz	YRLOVKCIWDHGEN-UHFFFAOYSA-N	0	0	194.274	3.088	10	0		AGAERN
CCC[C@H](C)[C@H](O)C[C@H]1C[C@@H]1C1CC1	711923332	572187837	/nfs/dbraw/zinc/18/78/37/572187837.db2.gz	WWSRUSYCQWHITA-WKSBVSIWSA-N	0	0	196.334	3.220	10	0		AGAERN
CCC[C@@H](C)CC(=O)C1CCC1	83120305	572187969	/nfs/dbraw/zinc/18/79/69/572187969.db2.gz	GYVVAHXRWYCZQG-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCCCC[C@@H]1CC[C@H](O)[C@@H]1C	83035726	572188046	/nfs/dbraw/zinc/18/80/46/572188046.db2.gz	XAIUMMPYDUHQGT-UTUOFQBUSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCCCC[C@@H]1CC[C@@H](O)[C@@H]1C	83035731	572188080	/nfs/dbraw/zinc/18/80/80/572188080.db2.gz	XAIUMMPYDUHQGT-IJLUTSLNSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)CC[C@H](O)C[C@H]1C[C@@H]1C1CC1	711919860	572188128	/nfs/dbraw/zinc/18/81/28/572188128.db2.gz	LIHGILOGQPMTTP-RWMBFGLXSA-N	0	0	196.334	3.220	10	0		AGAERN
CC(C)CC[C@H](O)C[C@@H]1C[C@@H]1C1CC1	711919853	572188301	/nfs/dbraw/zinc/18/83/01/572188301.db2.gz	LIHGILOGQPMTTP-FRRDWIJNSA-N	0	0	196.334	3.220	10	0		AGAERN
CCC[C@](C)(CO)[C@@H](C)CC(C)C	388667905	572188428	/nfs/dbraw/zinc/18/84/28/572188428.db2.gz	XCCZTFOZUQJWNF-NWDGAFQWSA-N	0	0	186.339	3.467	10	0		AGAERN
CC[C@H]1CC[C@H](n2cccc2)[C@@H]1C	83050334	572188695	/nfs/dbraw/zinc/18/86/95/572188695.db2.gz	JPGFHYHAHPVVNX-WOPDTQHZSA-N	0	0	177.291	3.485	10	0		AGAERN
CCCNc1ccc(OCC)cc1C	37781722	572188994	/nfs/dbraw/zinc/18/89/94/572188994.db2.gz	JPGFTSSTMKIRAO-UHFFFAOYSA-N	0	0	193.290	3.216	10	0		AGAERN
CCCCC1=C(C)CCC[C@H]1O	35986282	572189167	/nfs/dbraw/zinc/18/91/67/572189167.db2.gz	VYWYSBCKJSBXCV-LLVKDONJSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@H]1CC[C@H](n2cc[nH]c2=S)[C@@H]1C	83045654	572189436	/nfs/dbraw/zinc/18/94/36/572189436.db2.gz	XLVSVGGDTGFXKS-YIZRAAEISA-N	0	0	196.319	3.153	10	0		AGAERN
CCCc1ccc(NCC(F)F)cc1	37755875	572189568	/nfs/dbraw/zinc/18/95/68/572189568.db2.gz	OPAIOIIQBJJMCB-UHFFFAOYSA-N	0	0	199.244	3.316	10	0		AGAERN
C[C@H]1CC[C@@H](n2cc[nH]c2=S)[C@@H]1C	83045656	572189628	/nfs/dbraw/zinc/18/96/28/572189628.db2.gz	XLVSVGGDTGFXKS-DJLDLDEBSA-N	0	0	196.319	3.153	10	0		AGAERN
CC[C@](O)(Cc1ccccc1)C(C)C	37755282	572189634	/nfs/dbraw/zinc/18/96/34/572189634.db2.gz	MCBRDJDIQJOFQH-ZDUSSCGKSA-N	0	0	192.302	3.026	10	0		AGAERN
C[C@@H]1CC[C@H]([C@@H]2CCCCC2=O)C1	205608520	572189785	/nfs/dbraw/zinc/18/97/85/572189785.db2.gz	XLNXBZQLRDSSLO-VWYCJHECSA-N	0	0	180.291	3.182	10	0		AGAERN
CCCNc1ccc(C)cc1OCC	37777930	572190128	/nfs/dbraw/zinc/19/01/28/572190128.db2.gz	OJHLAEFPQICBTE-UHFFFAOYSA-N	0	0	193.290	3.216	10	0		AGAERN
CC[C@@H](C)[C@H](O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	221120246	572190206	/nfs/dbraw/zinc/19/02/06/572190206.db2.gz	HULYWNDVLZJCFO-LBELIVKGSA-N	0	0	198.350	3.466	10	0		AGAERN
CC[C@H]1CC[C@@H](n2cccc2)[C@@H]1C	83050342	572190369	/nfs/dbraw/zinc/19/03/69/572190369.db2.gz	JPGFHYHAHPVVNX-GRYCIOLGSA-N	0	0	177.291	3.485	10	0		AGAERN
C[C@@H]1CC[C@@H]([C@@H]2CCCCC2=O)C1	205608542	572190391	/nfs/dbraw/zinc/19/03/91/572190391.db2.gz	XLNXBZQLRDSSLO-MXWKQRLJSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@H]1CC[C@@H](n2cccc2)[C@@H]1C	83046316	572190404	/nfs/dbraw/zinc/19/04/04/572190404.db2.gz	NOGHQJCUSZCXRM-HBNTYKKESA-N	0	0	163.264	3.095	10	0		AGAERN
C/C=C/[C@H](CCCCC)[C@@H](C)O	393349745	572190766	/nfs/dbraw/zinc/19/07/66/572190766.db2.gz	OWUVOHHRMYLAFU-GBUKMUNPSA-N	0	0	170.296	3.140	10	0		AGAERN
CC[C@@](O)(Cc1ccccc1)C(C)C	37755281	572191252	/nfs/dbraw/zinc/19/12/52/572191252.db2.gz	MCBRDJDIQJOFQH-CYBMUJFWSA-N	0	0	192.302	3.026	10	0		AGAERN
CC(C)CC[C@H](C)n1cccc1	70183976	572191298	/nfs/dbraw/zinc/19/12/98/572191298.db2.gz	UXQMCKUWPZGRTM-NSHDSACASA-N	0	0	165.280	3.485	10	0		AGAERN
CCC[C@H](O)C[C@H](C)CC(C)C	300970075	572191520	/nfs/dbraw/zinc/19/15/20/572191520.db2.gz	SAGAJDTZZVJXHD-MNOVXSKESA-N	0	0	172.312	3.220	10	0		AGAERN
CC(C)CC[C@@H](C)n1cccc1	70183975	572191533	/nfs/dbraw/zinc/19/15/33/572191533.db2.gz	UXQMCKUWPZGRTM-LLVKDONJSA-N	0	0	165.280	3.485	10	0		AGAERN
CCC[C@@H](O)C[C@@H](C)CC(C)C	300970079	572191621	/nfs/dbraw/zinc/19/16/21/572191621.db2.gz	SAGAJDTZZVJXHD-WDEREUQCSA-N	0	0	172.312	3.220	10	0		AGAERN
C/C=C\[C@H](CCCCC)[C@@H](C)O	393349746	572191741	/nfs/dbraw/zinc/19/17/41/572191741.db2.gz	OWUVOHHRMYLAFU-UGMIWWEVSA-N	0	0	170.296	3.140	10	0		AGAERN
O[C@H]1CCCCc2ccc(Cl)cc21	19727038	572193718	/nfs/dbraw/zinc/19/37/18/572193718.db2.gz	OHGLRPDNLOLCBI-NSHDSACASA-N	0	0	196.677	3.100	10	0		AGAERN
CCC[C@H](O)C[C@@H](C)CC(C)C	300970076	572192530	/nfs/dbraw/zinc/19/25/30/572192530.db2.gz	SAGAJDTZZVJXHD-QWRGUYRKSA-N	0	0	172.312	3.220	10	0		AGAERN
CC(C)(C)CC[C@@H](O)C1=CCCC1	300970051	572192574	/nfs/dbraw/zinc/19/25/74/572192574.db2.gz	ZSSNMIBZVUVYOT-LLVKDONJSA-N	0	0	182.307	3.284	10	0		AGAERN
CC[C@H]1CCC[C@H](C2(O)CC(C)C2)C1	234086882	572192659	/nfs/dbraw/zinc/19/26/59/572192659.db2.gz	YJCGLWOHJDZAFP-ZFQMDJOTSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1ccc(C)c2c1CCCC[C@H]2O	19727046	572193453	/nfs/dbraw/zinc/19/34/53/572193453.db2.gz	HFFYRSGSWZWMTA-GFCCVEGCSA-N	0	0	190.286	3.063	10	0		AGAERN
Cc1ccc(C)c2c1CCCCC2=O	19726987	572192979	/nfs/dbraw/zinc/19/29/79/572192979.db2.gz	SSNLWOULCARSPO-UHFFFAOYSA-N	0	0	188.270	3.213	10	0		AGAERN
CCc1ccc2c(c1)[C@@H](O)CCCC2	19727054	572193946	/nfs/dbraw/zinc/19/39/46/572193946.db2.gz	HEGQRUMNGXDXBI-ZDUSSCGKSA-N	0	0	190.286	3.009	10	0		AGAERN
CC(C)(C)CC[C@H](O)C1=CCCC1	300970054	572193223	/nfs/dbraw/zinc/19/32/23/572193223.db2.gz	ZSSNMIBZVUVYOT-NSHDSACASA-N	0	0	182.307	3.284	10	0		AGAERN
Cc1[nH]c2ccccc2c1C(=O)C1CC1	19725103	572193253	/nfs/dbraw/zinc/19/32/53/572193253.db2.gz	XADWDSCVCIFQHT-UHFFFAOYSA-N	0	0	199.253	3.069	10	0		AGAERN
Cc1ccc(C)c2c1CCCC[C@@H]2O	19727045	572193502	/nfs/dbraw/zinc/19/35/02/572193502.db2.gz	HFFYRSGSWZWMTA-LBPRGKRZSA-N	0	0	190.286	3.063	10	0		AGAERN
Cc1cc(C)c([C@H](O)C2CC2)c(C)c1	36156638	572193542	/nfs/dbraw/zinc/19/35/42/572193542.db2.gz	HLXMTYMUTVERGD-CYBMUJFWSA-N	0	0	190.286	3.055	10	0		AGAERN
Cc1cc(C(=O)C2CCC2)ccc1F	19725786	572193679	/nfs/dbraw/zinc/19/36/79/572193679.db2.gz	IRSFFYMDAYVYCU-UHFFFAOYSA-N	0	0	192.233	3.117	10	0		AGAERN
CCc1ccc2c(c1)[C@H](O)CCCC2	19727053	572193822	/nfs/dbraw/zinc/19/38/22/572193822.db2.gz	HEGQRUMNGXDXBI-CYBMUJFWSA-N	0	0	190.286	3.009	10	0		AGAERN
Cc1cc(C)c2c(c1)[C@@H](O)CCCC2	19727042	572194149	/nfs/dbraw/zinc/19/41/49/572194149.db2.gz	HRUBYFICRSYKPA-ZDUSSCGKSA-N	0	0	190.286	3.063	10	0		AGAERN
Cc1cc(C)c2c(c1)[C@H](O)CCCC2	19727041	572194246	/nfs/dbraw/zinc/19/42/46/572194246.db2.gz	HRUBYFICRSYKPA-CYBMUJFWSA-N	0	0	190.286	3.063	10	0		AGAERN
CC[C@@](O)(C1=CCCCCC1)C1CC1	234089711	572194268	/nfs/dbraw/zinc/19/42/68/572194268.db2.gz	GOLIQIATLTVPCE-CYBMUJFWSA-N	0	0	194.318	3.428	10	0		AGAERN
CCc1ccc(C(=O)C2CCC2)cc1	19725782	572194291	/nfs/dbraw/zinc/19/42/91/572194291.db2.gz	UIUIPEHOFNLPOH-UHFFFAOYSA-N	0	0	188.270	3.232	10	0		AGAERN
Cc1ccc2c(c1)[C@H](O)CCC2(C)C	19727064	572194352	/nfs/dbraw/zinc/19/43/52/572194352.db2.gz	QMYWRGFMXZIGAX-GFCCVEGCSA-N	0	0	190.286	3.100	10	0		AGAERN
Cc1ccc(C(C)(C)C)cc1[C@H](C)O	36156818	572194467	/nfs/dbraw/zinc/19/44/67/572194467.db2.gz	QNABLSCMBZDYQU-JTQLQIEISA-N	0	0	192.302	3.346	10	0		AGAERN
Cc1ccc2c(c1)[C@@H](O)CCC2(C)C	19727063	572194663	/nfs/dbraw/zinc/19/46/63/572194663.db2.gz	QMYWRGFMXZIGAX-LBPRGKRZSA-N	0	0	190.286	3.100	10	0		AGAERN
CC(C)[C@H](CO)c1cccc(Cl)c1	36155995	572194758	/nfs/dbraw/zinc/19/47/58/572194758.db2.gz	FUSWKVCLQITVRT-NSHDSACASA-N	0	0	198.693	3.072	10	0		AGAERN
Cc1cc(C)c([C@@H](O)C2CC2)c(C)c1	36156640	572194960	/nfs/dbraw/zinc/19/49/60/572194960.db2.gz	HLXMTYMUTVERGD-ZDUSSCGKSA-N	0	0	190.286	3.055	10	0		AGAERN
Cc1ccc([C@H](O)C2CCC2)c(C)c1	36156595	572195046	/nfs/dbraw/zinc/19/50/46/572195046.db2.gz	QCWCYVIIYGBJKT-CYBMUJFWSA-N	0	0	190.286	3.137	10	0		AGAERN
CCc1ccc2c(c1)C(=O)CCCC2	19726991	572195172	/nfs/dbraw/zinc/19/51/72/572195172.db2.gz	SAMNQQVOEJDNJC-UHFFFAOYSA-N	0	0	188.270	3.158	10	0		AGAERN
Cc1ccc([C@@H](O)C2CCC2)cc1C	36156583	572195517	/nfs/dbraw/zinc/19/55/17/572195517.db2.gz	CXTBLFIRJHLCKC-ZDUSSCGKSA-N	0	0	190.286	3.137	10	0		AGAERN
Cc1ccc(C(C)(C)C)cc1[C@@H](C)O	36156816	572195631	/nfs/dbraw/zinc/19/56/31/572195631.db2.gz	QNABLSCMBZDYQU-SNVBAGLBSA-N	0	0	192.302	3.346	10	0		AGAERN
Cc1ccc([C@H](O)C2CCC2)cc1C	36156581	572195992	/nfs/dbraw/zinc/19/59/92/572195992.db2.gz	CXTBLFIRJHLCKC-CYBMUJFWSA-N	0	0	190.286	3.137	10	0		AGAERN
CC[C@H]1CC[C@@](O)(C2=CCCCC2)C1	234090744	572196094	/nfs/dbraw/zinc/19/60/94/572196094.db2.gz	DAVGJHPNEKEYHQ-AAEUAGOBSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)[C@@H](O)c1ccc(Cl)s1	36156653	572196179	/nfs/dbraw/zinc/19/61/79/572196179.db2.gz	PPWZATHSNXMANM-MRVPVSSYSA-N	0	0	190.695	3.091	10	0		AGAERN
CC(C)[C@@H](CO)c1ccccc1Cl	36155991	572196227	/nfs/dbraw/zinc/19/62/27/572196227.db2.gz	YUAARVPGWJVWJL-SNVBAGLBSA-N	0	0	198.693	3.072	10	0		AGAERN
CC(C)[C@@H](CO)c1cccc(Cl)c1	36155993	572196284	/nfs/dbraw/zinc/19/62/84/572196284.db2.gz	FUSWKVCLQITVRT-LLVKDONJSA-N	0	0	198.693	3.072	10	0		AGAERN
CC(C)[C@H](O)c1ccc(Cl)s1	36156651	572196318	/nfs/dbraw/zinc/19/63/18/572196318.db2.gz	PPWZATHSNXMANM-QMMMGPOBSA-N	0	0	190.695	3.091	10	0		AGAERN
CC(C)Oc1ccc(C(C)C)cc1N	36201688	572196853	/nfs/dbraw/zinc/19/68/53/572196853.db2.gz	YTDMTFWBIDUQKZ-UHFFFAOYSA-N	0	0	193.290	3.179	10	0		AGAERN
CC[C@](C)(O)c1c(C)cc(C)cc1F	234089378	572197104	/nfs/dbraw/zinc/19/71/04/572197104.db2.gz	NVHRCZCSLAESTL-LBPRGKRZSA-N	0	0	196.265	3.060	10	0		AGAERN
CCCCCC[C@H](O)C1CCC1	83120666	572197293	/nfs/dbraw/zinc/19/72/93/572197293.db2.gz	IWTQKUFVKFGUGT-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
CCCCCC[C@@H](O)C1CCC1	83120668	572198362	/nfs/dbraw/zinc/19/83/62/572198362.db2.gz	IWTQKUFVKFGUGT-LLVKDONJSA-N	0	0	170.296	3.118	10	0		AGAERN
CC(C)C[C@H](C)CNOC1CCCC1	300973918	572198557	/nfs/dbraw/zinc/19/85/57/572198557.db2.gz	SNZRDRORAZSXAB-NSHDSACASA-N	0	0	199.338	3.132	10	0		AGAERN
CC(C)C[C@@H](C)CNOC1CCCC1	300973916	572199052	/nfs/dbraw/zinc/19/90/52/572199052.db2.gz	SNZRDRORAZSXAB-LLVKDONJSA-N	0	0	199.338	3.132	10	0		AGAERN
CCCC[C@@H](C)C(=O)Cc1ccoc1	300974338	572199267	/nfs/dbraw/zinc/19/92/67/572199267.db2.gz	SLMOXZCWLDMRIB-SNVBAGLBSA-N	0	0	194.274	3.218	10	0		AGAERN
Cc1cc(C)c(N)c(C(C)(C)C)c1	19800868	572199526	/nfs/dbraw/zinc/19/95/26/572199526.db2.gz	SJMVAOMOFSHXEH-UHFFFAOYSA-N	0	0	177.291	3.183	10	0		AGAERN
CCCCc1ccc2c(c1)CCCN2	19802983	572199650	/nfs/dbraw/zinc/19/96/50/572199650.db2.gz	JNMOALGWSXKNDM-UHFFFAOYSA-N	0	0	189.302	3.387	10	0		AGAERN
Cc1ccnc(NC2(C)CCCC2)c1	43561606	572199709	/nfs/dbraw/zinc/19/97/09/572199709.db2.gz	AEHGONJGSZZQDF-UHFFFAOYSA-N	0	0	190.290	3.135	10	0		AGAERN
Cc1cc(C)c(N(C)C)cc1Cl	19801637	572199751	/nfs/dbraw/zinc/19/97/51/572199751.db2.gz	BTYLNVDTOILPDB-UHFFFAOYSA-N	0	0	183.682	3.023	10	0		AGAERN
CCc1cccc(OC/C=C/Cl)c1	70233524	572199934	/nfs/dbraw/zinc/19/99/34/572199934.db2.gz	DSDWTIPOKTUAKD-QPJJXVBHSA-N	0	0	196.677	3.380	10	0		AGAERN
Cc1ccc(C(C)(C)C)c(N)c1C	19801629	572200222	/nfs/dbraw/zinc/20/02/22/572200222.db2.gz	AXAWJNBIIGYWAJ-UHFFFAOYSA-N	0	0	177.291	3.183	10	0		AGAERN
CCc1ccccc1OC/C=C/Cl	70233511	572200686	/nfs/dbraw/zinc/20/06/86/572200686.db2.gz	KBYFCMGBUKWVLH-VMPITWQZSA-N	0	0	196.677	3.380	10	0		AGAERN
Cc1ccc(-c2cc(=O)cc[nH]2)cc1C	235889938	572200867	/nfs/dbraw/zinc/20/08/67/572200867.db2.gz	ZCFRAJANSRHFSM-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
CCc1ccc(OC/C=C/Cl)cc1	70233514	572200911	/nfs/dbraw/zinc/20/09/11/572200911.db2.gz	KCWBJBFBEQSGPN-FPYGCLRLSA-N	0	0	196.677	3.380	10	0		AGAERN
CC(C)C[C@H](C)C[C@](C)(O)C1CC1	300976130	572201289	/nfs/dbraw/zinc/20/12/89/572201289.db2.gz	STTUGXBGLQTPNR-JQWIXIFHSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@@H](C)C[C@@H](CO)C(C)C	300973877	572201431	/nfs/dbraw/zinc/20/14/31/572201431.db2.gz	SNEBGVDENLLLAY-NEPJUHHUSA-N	0	0	186.339	3.323	10	0		AGAERN
CCC(C)(C)C[C@H](O)[C@@]1(C)C[C@@H]1C	713228394	572201504	/nfs/dbraw/zinc/20/15/04/572201504.db2.gz	GUWLOVDVDQPRGY-NHCYSSNCSA-N	0	0	184.323	3.220	10	0		AGAERN
CCc1ccccc1OCC(C)C	70233510	572201549	/nfs/dbraw/zinc/20/15/49/572201549.db2.gz	RVNKPOJCYVJWOQ-UHFFFAOYSA-N	0	0	178.275	3.284	10	0		AGAERN
CCC(C)(C)COc1ccc(F)nc1	713226822	572201598	/nfs/dbraw/zinc/20/15/98/572201598.db2.gz	OFEHEGRAQLRKRN-UHFFFAOYSA-N	0	0	197.253	3.036	10	0		AGAERN
CCc1cccc(OCC(C)C)c1	70233522	572201605	/nfs/dbraw/zinc/20/16/05/572201605.db2.gz	VRJCKYNFTLMIOC-UHFFFAOYSA-N	0	0	178.275	3.284	10	0		AGAERN
CC(C)C[C@H](C)C[C@@](C)(O)C1CC1	300976129	572201807	/nfs/dbraw/zinc/20/18/07/572201807.db2.gz	STTUGXBGLQTPNR-CMPLNLGQSA-N	0	0	184.323	3.220	10	0		AGAERN
CCc1c(C)cc(Cl)nc1Cl	19801664	572201941	/nfs/dbraw/zinc/20/19/41/572201941.db2.gz	LMZVUAWPRNKUSD-UHFFFAOYSA-N	0	0	190.073	3.259	10	0		AGAERN
CCCCOc1ccccc1CC	70234137	572201957	/nfs/dbraw/zinc/20/19/57/572201957.db2.gz	HJWWCGJBRCSDPY-UHFFFAOYSA-N	0	0	178.275	3.428	10	0		AGAERN
CC(C)C[C@@H](C)C[C@H](CO)C(C)C	300973883	572201971	/nfs/dbraw/zinc/20/19/71/572201971.db2.gz	SNEBGVDENLLLAY-VXGBXAGGSA-N	0	0	186.339	3.323	10	0		AGAERN
CCC(C)(C)n1c(C)cc(C=O)c1C	19806644	572202095	/nfs/dbraw/zinc/20/20/95/572202095.db2.gz	HYSADEHICPZTHH-UHFFFAOYSA-N	0	0	193.290	3.063	10	0		AGAERN
CCC(C)(C)C[C@H](O)[C@@]1(C)C[C@H]1C	713228395	572202148	/nfs/dbraw/zinc/20/21/48/572202148.db2.gz	GUWLOVDVDQPRGY-SCVCMEIPSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@H](C)C[C@H](CO)C(C)C	300973879	572202244	/nfs/dbraw/zinc/20/22/44/572202244.db2.gz	SNEBGVDENLLLAY-NWDGAFQWSA-N	0	0	186.339	3.323	10	0		AGAERN
CC(C)C[C@@H](C)C[C@](C)(O)C1CC1	300976131	572202267	/nfs/dbraw/zinc/20/22/67/572202267.db2.gz	STTUGXBGLQTPNR-PWSUYJOCSA-N	0	0	184.323	3.220	10	0		AGAERN
CCc1cccc(C(C)(C)C)c1N	19801627	572202304	/nfs/dbraw/zinc/20/23/04/572202304.db2.gz	UKTJVFBRSLLKDY-UHFFFAOYSA-N	0	0	177.291	3.129	10	0		AGAERN
Cc1ccc([C@@H](O)CCC(C)C)cc1	40244372	572202350	/nfs/dbraw/zinc/20/23/50/572202350.db2.gz	RETLDJYHPRBUDC-ZDUSSCGKSA-N	0	0	192.302	3.465	10	0		AGAERN
CC[C@@H](C)Sc1ccc(N)cc1	19869621	572203914	/nfs/dbraw/zinc/20/39/14/572203914.db2.gz	NSAHBULNNKBPEQ-MRVPVSSYSA-N	0	0	181.304	3.159	10	0		AGAERN
CCC(C)(C)C[C@H](O)[C@@]12CCC[C@@H]1C2	713228414	572202611	/nfs/dbraw/zinc/20/26/11/572202611.db2.gz	HFVPUWKEXODULE-NTZNESFSSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC(C)(C)C[C@H](O)[C@]1(C)C[C@@H]1C	713228392	572202621	/nfs/dbraw/zinc/20/26/21/572202621.db2.gz	GUWLOVDVDQPRGY-JBLDHEPKSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC(C)(C)C[C@@H](C)C(C)=O	150234386	572202710	/nfs/dbraw/zinc/20/27/10/572202710.db2.gz	CYFVNVPQFJBHEK-MRVPVSSYSA-N	0	0	156.269	3.038	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1Nc1cccnc1	19884166	572202750	/nfs/dbraw/zinc/20/27/50/572202750.db2.gz	XNHGZUXEFBCVOW-PWSUYJOCSA-N	0	0	190.290	3.072	10	0		AGAERN
Cc1ccc(-c2ccc(N)c(C)c2)o1	43570195	572202825	/nfs/dbraw/zinc/20/28/25/572202825.db2.gz	XNYLSYNFZNIFMC-UHFFFAOYSA-N	0	0	187.242	3.146	10	0		AGAERN
C[C@@H]1CCC[C@@H](Nc2cccnc2)C1	19884172	572202829	/nfs/dbraw/zinc/20/28/29/572202829.db2.gz	SMXRYAQQAXPGGX-GHMZBOCLSA-N	0	0	190.290	3.072	10	0		AGAERN
CC(C)C[C@H](C)C(=O)OC(C)(C)C	113023155	572202935	/nfs/dbraw/zinc/20/29/35/572202935.db2.gz	PJCVELDASPSMIA-VIFPVBQESA-N	0	0	186.295	3.010	10	0		AGAERN
CC[C@H](C)Sc1ccc(N)cc1	19869622	572203152	/nfs/dbraw/zinc/20/31/52/572203152.db2.gz	NSAHBULNNKBPEQ-QMMMGPOBSA-N	0	0	181.304	3.159	10	0		AGAERN
CC[C@H](C)Sc1ccccc1N	19869630	572203253	/nfs/dbraw/zinc/20/32/53/572203253.db2.gz	UMTUFVQSFFUTIY-QMMMGPOBSA-N	0	0	181.304	3.159	10	0		AGAERN
C/C=C/COc1cccc(CC)c1	70234604	572203254	/nfs/dbraw/zinc/20/32/54/572203254.db2.gz	JOHNTDGUTVQFOZ-HWKANZROSA-N	0	0	176.259	3.204	10	0		AGAERN
CCC(C)(C)C[C@H](O)[C@]1(C)C[C@H]1C	713228393	572203421	/nfs/dbraw/zinc/20/34/21/572203421.db2.gz	GUWLOVDVDQPRGY-JFGNBEQYSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@H]1CCCC[C@H]1Nc1cccnc1	19884171	572203519	/nfs/dbraw/zinc/20/35/19/572203519.db2.gz	XNHGZUXEFBCVOW-CMPLNLGQSA-N	0	0	190.290	3.072	10	0		AGAERN
CCSc1ccc(C(C)=O)cc1F	19871651	572203545	/nfs/dbraw/zinc/20/35/45/572203545.db2.gz	NKVUSJNFUZZZIW-UHFFFAOYSA-N	0	0	198.262	3.140	10	0		AGAERN
CC(C)C[C@@H](C)Oc1ccccc1N	19845840	572203683	/nfs/dbraw/zinc/20/36/83/572203683.db2.gz	SHNCPEMFGAYYEC-SNVBAGLBSA-N	0	0	193.290	3.082	10	0		AGAERN
Cc1cccc2[nH]c(-c3ccco3)nc12	70234978	572203692	/nfs/dbraw/zinc/20/36/92/572203692.db2.gz	JKILJLJVYYELDG-UHFFFAOYSA-N	0	0	198.225	3.131	10	0		AGAERN
CC[C@@H](C)Sc1ccc(F)cc1N	19869631	572203819	/nfs/dbraw/zinc/20/38/19/572203819.db2.gz	ACSIONQIBYIOHM-SSDOTTSWSA-N	0	0	199.294	3.299	10	0		AGAERN
CC[C@H](O)CCc1cc(C)ccc1C	43657834	572203890	/nfs/dbraw/zinc/20/38/90/572203890.db2.gz	LBSLCLGUUWJKPB-ZDUSSCGKSA-N	0	0	192.302	3.007	10	0		AGAERN
C[C@@H]1CCCC[C@H]1Nc1cccnc1	19884169	572204023	/nfs/dbraw/zinc/20/40/23/572204023.db2.gz	XNHGZUXEFBCVOW-ZYHUDNBSSA-N	0	0	190.290	3.072	10	0		AGAERN
CC(C)(C)C[C@]1(O)CC[C@@H]2CCC[C@@H]21	713228465	572204080	/nfs/dbraw/zinc/20/40/80/572204080.db2.gz	HXGRWHOXUZDDFI-GMXVVIOVSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)C[C@H]1Cc2ccccc2C1=O	43647243	572204087	/nfs/dbraw/zinc/20/40/87/572204087.db2.gz	KZNRVPTWYCZKNL-NSHDSACASA-N	0	0	188.270	3.088	10	0		AGAERN
CC(C)C[C@H](O)CC(C)(C)C(C)C	713228480	572204231	/nfs/dbraw/zinc/20/42/31/572204231.db2.gz	IGNWEYFPUYBBKG-NSHDSACASA-N	0	0	186.339	3.466	10	0		AGAERN
CC1CCC(Nc2cccnc2)CC1	19884149	572204299	/nfs/dbraw/zinc/20/42/99/572204299.db2.gz	VBBQWWYEGQEGNZ-UHFFFAOYSA-N	0	0	190.290	3.072	10	0		AGAERN
CC(C)(C)C[C@]1(CO)CC=CCC1	713228475	572204341	/nfs/dbraw/zinc/20/43/41/572204341.db2.gz	IAMHQKBBNDYUBX-LBPRGKRZSA-N	0	0	182.307	3.141	10	0		AGAERN
CC(C)(C)C[C@]1(O)CC[C@H]2CCC[C@H]21	713228466	572204355	/nfs/dbraw/zinc/20/43/55/572204355.db2.gz	HXGRWHOXUZDDFI-NQBHXWOUSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@@H]1CCC[C@H](Nc2cccnc2)C1	19884175	572204529	/nfs/dbraw/zinc/20/45/29/572204529.db2.gz	SMXRYAQQAXPGGX-MNOVXSKESA-N	0	0	190.290	3.072	10	0		AGAERN
CC(C)C[C@@H](O)CC(C)(C)C(C)C	713228479	572204741	/nfs/dbraw/zinc/20/47/41/572204741.db2.gz	IGNWEYFPUYBBKG-LLVKDONJSA-N	0	0	186.339	3.466	10	0		AGAERN
CCCC(CCC)Nc1cccnc1	19884513	572204881	/nfs/dbraw/zinc/20/48/81/572204881.db2.gz	URARBLLWJBVUNS-UHFFFAOYSA-N	0	0	192.306	3.462	10	0		AGAERN
CC[C@@H](C)Sc1ccccc1N	19869629	572204941	/nfs/dbraw/zinc/20/49/41/572204941.db2.gz	UMTUFVQSFFUTIY-MRVPVSSYSA-N	0	0	181.304	3.159	10	0		AGAERN
CCCC[C@H]1C[C@@H](C)CCC1=O	43651963	572204981	/nfs/dbraw/zinc/20/49/81/572204981.db2.gz	OXJSYVXVXYWKCA-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCC[C@H]1C[C@H](C)CCC1=O	43651961	572205103	/nfs/dbraw/zinc/20/51/03/572205103.db2.gz	OXJSYVXVXYWKCA-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@H]1CCCc2ccccc2C1=O	43649502	572205112	/nfs/dbraw/zinc/20/51/12/572205112.db2.gz	LWXXATLWVBHINK-JTQLQIEISA-N	0	0	188.270	3.232	10	0		AGAERN
Cc1cccc(OCCC2CC2)c1C	235894141	572205154	/nfs/dbraw/zinc/20/51/54/572205154.db2.gz	OHWXMICMLAVHCZ-UHFFFAOYSA-N	0	0	190.286	3.482	10	0		AGAERN
C/C=C/C[C@@H]1C[C@H](CC)CCC1=O	43653423	572205173	/nfs/dbraw/zinc/20/51/73/572205173.db2.gz	YSITVJDHKHEPIL-UQRCUPDISA-N	0	0	180.291	3.348	10	0		AGAERN
C[C@H]1CCCC[C@@H]1Nc1cccnc1	19884167	572205240	/nfs/dbraw/zinc/20/52/40/572205240.db2.gz	XNHGZUXEFBCVOW-JQWIXIFHSA-N	0	0	190.290	3.072	10	0		AGAERN
FC(F)(F)[C@@H]1C=Cc2ccccc2N1	140303061	572205383	/nfs/dbraw/zinc/20/53/83/572205383.db2.gz	JHMWEMNKDBXUMS-VIFPVBQESA-N	0	0	199.175	3.056	10	0		AGAERN
FC(F)(F)[C@H]1C=Cc2ccccc2N1	140302881	572205513	/nfs/dbraw/zinc/20/55/13/572205513.db2.gz	JHMWEMNKDBXUMS-SECBINFHSA-N	0	0	199.175	3.056	10	0		AGAERN
CC(C)(C)C[C@]1(O)CC[C@H]2CCC[C@@H]21	713228467	572205532	/nfs/dbraw/zinc/20/55/32/572205532.db2.gz	HXGRWHOXUZDDFI-NTZNESFSSA-N	0	0	196.334	3.364	10	0		AGAERN
CCCC[C@@H]1C[C@@H](C)CCC1=O	43651962	572205538	/nfs/dbraw/zinc/20/55/38/572205538.db2.gz	OXJSYVXVXYWKCA-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)(C)C[C@]1(O)CC[C@@H]2CCC[C@H]21	713228464	572205576	/nfs/dbraw/zinc/20/55/76/572205576.db2.gz	HXGRWHOXUZDDFI-DMDPSCGWSA-N	0	0	196.334	3.364	10	0		AGAERN
C=C(c1ccccc1)c1cc[nH]c1	36419925	572206645	/nfs/dbraw/zinc/20/66/45/572206645.db2.gz	UYQHPPRWARWOCE-UHFFFAOYSA-N	0	0	169.227	3.076	10	0		AGAERN
Cc1c(Cl)ccc2c1NC[C@@H]2C	19948136	572206659	/nfs/dbraw/zinc/20/66/59/572206659.db2.gz	DESWEGBXFPIQKY-LURJTMIESA-N	0	0	181.666	3.177	10	0		AGAERN
CC[C@H](C)Nc1ccc(F)cc1F	19952433	572205922	/nfs/dbraw/zinc/20/59/22/572205922.db2.gz	GXMZNVFIRGDYCM-ZETCQYMHSA-N	0	0	185.217	3.175	10	0		AGAERN
CC(C)=C(C)Cc1ccccc1O	36404425	572205960	/nfs/dbraw/zinc/20/59/60/572205960.db2.gz	MSPXYSLHUQKINK-UHFFFAOYSA-N	0	0	176.259	3.291	10	0		AGAERN
CC(C)(C)C[C@@]1(CO)CC=CCC1	713228474	572205966	/nfs/dbraw/zinc/20/59/66/572205966.db2.gz	IAMHQKBBNDYUBX-GFCCVEGCSA-N	0	0	182.307	3.141	10	0		AGAERN
CC(C)c1ccc2c(c1)[C@H](C)CN2	19948091	572205981	/nfs/dbraw/zinc/20/59/81/572205981.db2.gz	QUCLTSMIYSXJSJ-SECBINFHSA-N	0	0	175.275	3.339	10	0		AGAERN
CCCC[C@@H]1C[C@H](C)CCC1=O	43651960	572205996	/nfs/dbraw/zinc/20/59/96/572205996.db2.gz	OXJSYVXVXYWKCA-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)C[C@@H]1Cc2ccccc2C1=O	43647241	572206199	/nfs/dbraw/zinc/20/61/99/572206199.db2.gz	KZNRVPTWYCZKNL-LLVKDONJSA-N	0	0	188.270	3.088	10	0		AGAERN
CC(C)=C1CCCC(=O)CCC1	36419876	572206807	/nfs/dbraw/zinc/20/68/07/572206807.db2.gz	YGLXUJUNZPKUGU-UHFFFAOYSA-N	0	0	166.264	3.246	10	0		AGAERN
C[C@@H]1CC(=O)c2cccc(Cl)c21	19972460	572206308	/nfs/dbraw/zinc/20/63/08/572206308.db2.gz	WFLNXCHWFCCKNP-ZCFIWIBFSA-N	0	0	180.634	3.030	10	0		AGAERN
OC1(CCCC(F)F)CCCCC1	687891319	572206349	/nfs/dbraw/zinc/20/63/49/572206349.db2.gz	QFZUWUMNJGMIGQ-UHFFFAOYSA-N	0	0	192.249	3.117	10	0		AGAERN
CCC(CC)(CC)n1cc[nH]c1=S	83388201	572206432	/nfs/dbraw/zinc/20/64/32/572206432.db2.gz	OGXTYSWQUGGCFG-UHFFFAOYSA-N	0	0	198.335	3.471	10	0		AGAERN
CC(C)C(C)(C)C[C@]1(O)CC[C@@H]1C	713229208	572206471	/nfs/dbraw/zinc/20/64/71/572206471.db2.gz	MHVDQRKVPXRERN-CMPLNLGQSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)c1ccc2c(c1)[C@@H](C)CN2	19948095	572206589	/nfs/dbraw/zinc/20/65/89/572206589.db2.gz	QUCLTSMIYSXJSJ-VIFPVBQESA-N	0	0	175.275	3.339	10	0		AGAERN
C[C@H](Nc1cc(F)cc(F)c1)C1CC1	19961883	572206602	/nfs/dbraw/zinc/20/66/02/572206602.db2.gz	KMKOFOPUOQBXLO-ZETCQYMHSA-N	0	0	197.228	3.175	10	0		AGAERN
CC(C)C(C)(C)C[C@@]1(O)CC[C@@H]1C	713229209	572206613	/nfs/dbraw/zinc/20/66/13/572206613.db2.gz	MHVDQRKVPXRERN-JQWIXIFHSA-N	0	0	184.323	3.220	10	0		AGAERN
CCCC[C@@H]1Cc2ccccc2[C@@H]1O	43659125	572206630	/nfs/dbraw/zinc/20/66/30/572206630.db2.gz	DTAMWTJKRXOEFK-DGCLKSJQSA-N	0	0	190.286	3.083	10	0		AGAERN
CC(C)CCNc1ccc(F)cc1F	19951850	572206635	/nfs/dbraw/zinc/20/66/35/572206635.db2.gz	QFKNCJPFAQOFIQ-UHFFFAOYSA-N	0	0	199.244	3.423	10	0		AGAERN
C[C@@H]1CC[C@@H](O)[C@H](CC2CCCC2)C1	43660426	572206886	/nfs/dbraw/zinc/20/68/86/572206886.db2.gz	IPBXKLMERCFWRC-KGYLQXTDSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@H](C)Nc1ccc(F)cc1F	19952429	572206908	/nfs/dbraw/zinc/20/69/08/572206908.db2.gz	GXMZNVFIRGDYCM-SSDOTTSWSA-N	0	0	185.217	3.175	10	0		AGAERN
CC1(C)CCC[C@]2(C)CC[C@@H](O)C=C12	36372781	572206987	/nfs/dbraw/zinc/20/69/87/572206987.db2.gz	LBWYEHJYSKGFCW-ZWNOBZJWSA-N	0	0	194.318	3.284	10	0		AGAERN
CNc1c(C)c(C)c(C)c(C)c1C	140387942	572207405	/nfs/dbraw/zinc/20/74/05/572207405.db2.gz	SZQRFZICTQQBGQ-UHFFFAOYSA-N	0	0	177.291	3.270	10	0		AGAERN
c1coc([C@@H]2CCc3ccccc3N2)c1	83389280	572207540	/nfs/dbraw/zinc/20/75/40/572207540.db2.gz	KPQQMSMNJLGIEM-LBPRGKRZSA-N	0	0	199.253	3.379	10	0		AGAERN
c1ccc2c(c1)CC[C@@H](c1ccoc1)N2	83389318	572207586	/nfs/dbraw/zinc/20/75/86/572207586.db2.gz	AOZVVBPEZCRDSO-ZDUSSCGKSA-N	0	0	199.253	3.379	10	0		AGAERN
CCC(=O)c1cc(C)c2ccccc2n1	36404864	572207826	/nfs/dbraw/zinc/20/78/26/572207826.db2.gz	APJPMYRYFDXWKI-UHFFFAOYSA-N	0	0	199.253	3.136	10	0		AGAERN
c1coc([C@H]2CCc3ccccc3N2)c1	83389279	572207858	/nfs/dbraw/zinc/20/78/58/572207858.db2.gz	KPQQMSMNJLGIEM-GFCCVEGCSA-N	0	0	199.253	3.379	10	0		AGAERN
CCC(CC)(CC)NC(=O)C(C)(C)C	83388793	572207893	/nfs/dbraw/zinc/20/78/93/572207893.db2.gz	PXQGHSCPIFUPAI-UHFFFAOYSA-N	0	0	199.338	3.118	10	0		AGAERN
Cc1c(Cl)ccc2c1NC[C@H]2C	19948132	572207894	/nfs/dbraw/zinc/20/78/94/572207894.db2.gz	DESWEGBXFPIQKY-ZCFIWIBFSA-N	0	0	181.666	3.177	10	0		AGAERN
CCCC[C@H]1Cc2ccccc2[C@@H]1O	43659126	572207965	/nfs/dbraw/zinc/20/79/65/572207965.db2.gz	DTAMWTJKRXOEFK-WCQYABFASA-N	0	0	190.286	3.083	10	0		AGAERN
CC1CC(O)(CC(C)(C)C(C)C)C1	713229202	572208238	/nfs/dbraw/zinc/20/82/38/572208238.db2.gz	MFMLBWXCEUPWFP-UHFFFAOYSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)c1cccc2c1NC[C@@H]2C	19948107	572208269	/nfs/dbraw/zinc/20/82/69/572208269.db2.gz	XTYHQSWREHYANO-VIFPVBQESA-N	0	0	175.275	3.339	10	0		AGAERN
CC(C)C(C)(C)C[C@@]1(O)CC[C@H]1C	713229210	572208310	/nfs/dbraw/zinc/20/83/10/572208310.db2.gz	MHVDQRKVPXRERN-PWSUYJOCSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)c1cccc2c1NC[C@H]2C	19948111	572208333	/nfs/dbraw/zinc/20/83/33/572208333.db2.gz	XTYHQSWREHYANO-SECBINFHSA-N	0	0	175.275	3.339	10	0		AGAERN
CC1=C(C)C[C@@H]2C(=O)CCC[C@H]2C1	36438160	572208365	/nfs/dbraw/zinc/20/83/65/572208365.db2.gz	AEIPEOCAJQLDDB-QWRGUYRKSA-N	0	0	178.275	3.102	10	0		AGAERN
CCC(CC)(CC)n1cccc1	83388294	572208458	/nfs/dbraw/zinc/20/84/58/572208458.db2.gz	VKVNVYHRAOOEHE-UHFFFAOYSA-N	0	0	165.280	3.413	10	0		AGAERN
CCCC[C@H]1Cc2ccccc2[C@H]1O	43659128	572208481	/nfs/dbraw/zinc/20/84/81/572208481.db2.gz	DTAMWTJKRXOEFK-AAEUAGOBSA-N	0	0	190.286	3.083	10	0		AGAERN
CCCC[C@@H]1Cc2ccccc2[C@H]1O	43659127	572208572	/nfs/dbraw/zinc/20/85/72/572208572.db2.gz	DTAMWTJKRXOEFK-YPMHNXCESA-N	0	0	190.286	3.083	10	0		AGAERN
c1ccc2c(c1)CC1(CCCCC1)N2	140382572	572208770	/nfs/dbraw/zinc/20/87/70/572208770.db2.gz	CKAMHFCXMJCIEN-UHFFFAOYSA-N	0	0	187.286	3.358	10	0		AGAERN
C[C@H](Nc1ccc(F)cc1F)C1CC1	19952046	572208992	/nfs/dbraw/zinc/20/89/92/572208992.db2.gz	HDLZWYPUWVLYEN-ZETCQYMHSA-N	0	0	197.228	3.175	10	0		AGAERN
CC(C)(C)[C@H](O)C=C1CCCCC1	36438242	572209067	/nfs/dbraw/zinc/20/90/67/572209067.db2.gz	AAQOFBXCWXWOQS-LLVKDONJSA-N	0	0	182.307	3.284	10	0		AGAERN
CCCCNc1onc2ccccc12	36438356	572209018	/nfs/dbraw/zinc/20/90/18/572209018.db2.gz	PREXIWHDZPEPGL-UHFFFAOYSA-N	0	0	190.246	3.040	10	0		AGAERN
CC(C)C(C)(C)C[C@@](C)(O)C1CC1	713229551	572209451	/nfs/dbraw/zinc/20/94/51/572209451.db2.gz	ORHIQOLLDDHCDQ-GFCCVEGCSA-N	0	0	184.323	3.220	10	0		AGAERN
CC1(C)CCc2cc(Cl)ccc2O1	36420377	572209476	/nfs/dbraw/zinc/20/94/76/572209476.db2.gz	SRPXOPCIOVDZNI-UHFFFAOYSA-N	0	0	196.677	3.444	10	0		AGAERN
CC(=O)c1cc2c(o1)CCCC2(C)C	36420302	572209503	/nfs/dbraw/zinc/20/95/03/572209503.db2.gz	BQKZBZUUECKOIL-UHFFFAOYSA-N	0	0	192.258	3.096	10	0		AGAERN
CCC(C)(C)C[C@H](O)[C@H]1C[C@@H]1C1CC1	713229230	572209606	/nfs/dbraw/zinc/20/96/06/572209606.db2.gz	MKPONUSVESGSFJ-WOPDTQHZSA-N	0	0	196.334	3.220	10	0		AGAERN
CC(C)C(C)(C)C[C@](C)(O)C1CC1	713229554	572209629	/nfs/dbraw/zinc/20/96/29/572209629.db2.gz	ORHIQOLLDDHCDQ-LBPRGKRZSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@H]1S[C@H]1C(C)C	36437767	572209790	/nfs/dbraw/zinc/20/97/90/572209790.db2.gz	QNVBKGZOCPBZRI-BDAKNGLRSA-N	0	0	158.310	3.173	10	0		AGAERN
CC(=O)c1ccc(C(C)C)cc1C	36436978	572209841	/nfs/dbraw/zinc/20/98/41/572209841.db2.gz	AXIAKHDATJRNFP-UHFFFAOYSA-N	0	0	176.259	3.321	10	0		AGAERN
CC(C)C(C)(C)C[C@@](C)(O)C(C)C	713229482	572209855	/nfs/dbraw/zinc/20/98/55/572209855.db2.gz	NQGLXSNAKXRKIS-GFCCVEGCSA-N	0	0	186.339	3.466	10	0		AGAERN
Nc1cccc2c1Nc1ccccc1O2	113096415	572209891	/nfs/dbraw/zinc/20/98/91/572209891.db2.gz	JMDJHHPCLNGILP-UHFFFAOYSA-N	0	0	198.225	3.118	10	0		AGAERN
CC(C)(C)[C@@H](O)C=C1CCCCC1	36438243	572209897	/nfs/dbraw/zinc/20/98/97/572209897.db2.gz	AAQOFBXCWXWOQS-NSHDSACASA-N	0	0	182.307	3.284	10	0		AGAERN
CCC(C)(C)C[C@H](O)[C@@H]1C[C@@H]1C1CC1	713229227	572210126	/nfs/dbraw/zinc/21/01/26/572210126.db2.gz	MKPONUSVESGSFJ-UTUOFQBUSA-N	0	0	196.334	3.220	10	0		AGAERN
CCC(C)(C)C[C@H](O)[C@H]1C[C@H]1C1CC1	713229223	572210363	/nfs/dbraw/zinc/21/03/63/572210363.db2.gz	MKPONUSVESGSFJ-SRVKXCTJSA-N	0	0	196.334	3.220	10	0		AGAERN
Cc1ccc(-c2sccc2N)cc1	140404409	572210818	/nfs/dbraw/zinc/21/08/18/572210818.db2.gz	GPYDBESEXXYUJC-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
CCc1cc(Cl)cc(Cl)c1N	36459265	572211163	/nfs/dbraw/zinc/21/11/63/572211163.db2.gz	LZMVJKYQVZGQDB-UHFFFAOYSA-N	0	0	190.073	3.138	10	0		AGAERN
O[C@@H]1CCCCCCCc2occc21	196464535	572211606	/nfs/dbraw/zinc/21/16/06/572211606.db2.gz	KTZUIOPYAKFWAI-LLVKDONJSA-N	0	0	194.274	3.210	10	0		AGAERN
CC(C)(C)C[C@@]1(O)C[C@H]2CC[C@H](C2)C1	713229598	572211675	/nfs/dbraw/zinc/21/16/75/572211675.db2.gz	OXNPZFMKSJGPGA-PJXYFTJBSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)c1nc2c(s1)CCCCN2	36459455	572211799	/nfs/dbraw/zinc/21/17/99/572211799.db2.gz	ARLYEXZFYCJJKF-UHFFFAOYSA-N	0	0	196.319	3.015	10	0		AGAERN
CC[C@@H](C)Oc1ccccc1C(C)=O	20217351	572211827	/nfs/dbraw/zinc/21/18/27/572211827.db2.gz	YMYYUQXSKJEBHZ-SECBINFHSA-N	0	0	192.258	3.067	10	0		AGAERN
CC1(C)CCC[C@@]2(C)CCC(=O)[C@H]12	43762426	572213422	/nfs/dbraw/zinc/21/34/22/572213422.db2.gz	QFXFLIPQRDHFHM-PWSUYJOCSA-N	0	0	180.291	3.182	10	0		AGAERN
CCC[C@@H](O)CC(C)(C)C(C)C	713230219	572211868	/nfs/dbraw/zinc/21/18/68/572211868.db2.gz	RTTPULPNTGDKJF-SNVBAGLBSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@H](C)Oc1ccccc1C(C)=O	20217352	572212040	/nfs/dbraw/zinc/21/20/40/572212040.db2.gz	YMYYUQXSKJEBHZ-VIFPVBQESA-N	0	0	192.258	3.067	10	0		AGAERN
C[C@@H]1CC[C@@H]2[C@H]1C(=O)CCC2(C)C	43762310	572212279	/nfs/dbraw/zinc/21/22/79/572212279.db2.gz	AVUXQDQHGOQGAS-KKZNHRDASA-N	0	0	180.291	3.038	10	0		AGAERN
CCC[C@@H](O)c1ccc(CC)s1	41043128	572212427	/nfs/dbraw/zinc/21/24/27/572212427.db2.gz	LLOSXKDMCWFHRV-SECBINFHSA-N	0	0	184.304	3.144	10	0		AGAERN
CC(C)(C)C[C@]1(O)C[C@H]2CC[C@H](C2)C1	713229600	572212516	/nfs/dbraw/zinc/21/25/16/572212516.db2.gz	OXNPZFMKSJGPGA-PTEHBNRSSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)C(C)(C)C[C@H](O)C(C)(C)C	713229586	572212617	/nfs/dbraw/zinc/21/26/17/572212617.db2.gz	OTALNNBLTYIVDF-JTQLQIEISA-N	0	0	186.339	3.466	10	0		AGAERN
CCC[C@H]1CCCC(C)(C)C1=O	36466453	572212637	/nfs/dbraw/zinc/21/26/37/572212637.db2.gz	MEXSLDVMDWKGDJ-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CC1(C)CCC[C@@]2(C)CCC(=O)[C@@H]12	43762425	572212720	/nfs/dbraw/zinc/21/27/20/572212720.db2.gz	QFXFLIPQRDHFHM-JQWIXIFHSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@@H](C)c1ccc(Cl)nc1	196463718	572212739	/nfs/dbraw/zinc/21/27/39/572212739.db2.gz	AJXBOLQOORFSMX-SSDOTTSWSA-N	0	0	169.655	3.249	10	0		AGAERN
Cc1ccc2cc(F)c(Cl)cc2n1	36466912	572212753	/nfs/dbraw/zinc/21/27/53/572212753.db2.gz	YHMXIDQVCITCFS-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
C[C@H](CO)[C@H]1CCC2=CCCC[C@@]21C	36477080	572212808	/nfs/dbraw/zinc/21/28/08/572212808.db2.gz	SABUNIUYFWXYLT-RTXFEEFZSA-N	0	0	194.318	3.141	10	0		AGAERN
Cc1ccc2[nH]c(-c3ccoc3)nc2c1	41043066	572212815	/nfs/dbraw/zinc/21/28/15/572212815.db2.gz	QISUMNSFSCXXQZ-UHFFFAOYSA-N	0	0	198.225	3.131	10	0		AGAERN
c1cc2cc3ccccc3[nH]c-2c1	150291587	572212983	/nfs/dbraw/zinc/21/29/83/572212983.db2.gz	UDQOWGWWASNVHA-UHFFFAOYSA-N	0	0	167.211	3.273	10	0		AGAERN
O[C@H]1CCCCCCCc2occc21	196464548	572213199	/nfs/dbraw/zinc/21/31/99/572213199.db2.gz	KTZUIOPYAKFWAI-NSHDSACASA-N	0	0	194.274	3.210	10	0		AGAERN
COc1cc(C)cc(C(C)(C)C)c1O	36477590	572213249	/nfs/dbraw/zinc/21/32/49/572213249.db2.gz	DSYKDIRQILLTIN-UHFFFAOYSA-N	0	0	194.274	3.007	10	0		AGAERN
CCC[C@H](O)c1ccc(CC)s1	41043127	572213310	/nfs/dbraw/zinc/21/33/10/572213310.db2.gz	LLOSXKDMCWFHRV-VIFPVBQESA-N	0	0	184.304	3.144	10	0		AGAERN
CC(C)C(C)(C)C[C@@H](O)C(C)(C)C	713229588	572213438	/nfs/dbraw/zinc/21/34/38/572213438.db2.gz	OTALNNBLTYIVDF-SNVBAGLBSA-N	0	0	186.339	3.466	10	0		AGAERN
C[C@@H]1CC[C@@H]2[C@@H]1C(=O)CCC2(C)C	43762312	572213673	/nfs/dbraw/zinc/21/36/73/572213673.db2.gz	AVUXQDQHGOQGAS-FXPVBKGRSA-N	0	0	180.291	3.038	10	0		AGAERN
CCC[C@H](O)CC(C)(C)C(C)C	713230218	572213725	/nfs/dbraw/zinc/21/37/25/572213725.db2.gz	RTTPULPNTGDKJF-JTQLQIEISA-N	0	0	172.312	3.220	10	0		AGAERN
CC(C)=C(C)c1ccc(C=O)cc1	36471164	572213888	/nfs/dbraw/zinc/21/38/88/572213888.db2.gz	GSRFBNLRWOLTTN-UHFFFAOYSA-N	0	0	174.243	3.312	10	0		AGAERN
Cc1cc2c([nH]1)-c1ccccc1CC2	36466678	572213836	/nfs/dbraw/zinc/21/38/36/572213836.db2.gz	VBDJYUXURSOPCF-UHFFFAOYSA-N	0	0	183.254	3.089	10	0		AGAERN
CCc1ccc(OCC(C)C)cc1	70267187	572213852	/nfs/dbraw/zinc/21/38/52/572213852.db2.gz	LDZXGIAWAHMQLU-UHFFFAOYSA-N	0	0	178.275	3.284	10	0		AGAERN
Cc1ccc([C@@H](CO)CC(C)C)cc1	41206029	572214340	/nfs/dbraw/zinc/21/43/40/572214340.db2.gz	FNMSGZOFDZMFGE-CYBMUJFWSA-N	0	0	192.302	3.117	10	0		AGAERN
CC1=CC[C@H]([C@]2(C)CCC2=O)CC1	36466603	572214347	/nfs/dbraw/zinc/21/43/47/572214347.db2.gz	HDQWFPKTRSFOQF-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
CCC(CC)c1ccccc1N	140412457	572214508	/nfs/dbraw/zinc/21/45/08/572214508.db2.gz	RKPJDXPDEXEYJW-UHFFFAOYSA-N	0	0	163.264	3.172	10	0		AGAERN
Cc1ccc([C@H](CO)CC(C)C)cc1	41206028	572214626	/nfs/dbraw/zinc/21/46/26/572214626.db2.gz	FNMSGZOFDZMFGE-ZDUSSCGKSA-N	0	0	192.302	3.117	10	0		AGAERN
CC(C)[C@@H]1CC[C@@]2(C)CC[C@H](O)C=C12	43763675	572214904	/nfs/dbraw/zinc/21/49/04/572214904.db2.gz	QCSVWCBTSZGDSJ-GMXVVIOVSA-N	0	0	194.318	3.140	10	0		AGAERN
CC(=O)[C@@H]1CC(C)=C(C)CC1(C)C	146953736	572215390	/nfs/dbraw/zinc/21/53/90/572215390.db2.gz	YTWLXZCSNMOGGJ-NSHDSACASA-N	0	0	180.291	3.348	10	0		AGAERN
CC(C)C(C)(C)C[C@H](O)C1CCC1	713230310	572215561	/nfs/dbraw/zinc/21/55/61/572215561.db2.gz	SOECDPTUJCXIAV-NSHDSACASA-N	0	0	184.323	3.220	10	0		AGAERN
Oc1ccccc1CC=C1CCCC1	196476064	572216051	/nfs/dbraw/zinc/21/60/51/572216051.db2.gz	PYJGZWWLMIOAQB-UHFFFAOYSA-N	0	0	188.270	3.435	10	0		AGAERN
CC(C)C(C)(C)C[C@@H](O)C(C)(F)F	713231470	572218111	/nfs/dbraw/zinc/21/81/11/572218111.db2.gz	YSRBHPSRUXYSKU-MRVPVSSYSA-N	0	0	194.265	3.075	10	0		AGAERN
CC(C)=CCC[C@H](C)[C@H]1OC[C@@H](C)O1	83409141	572216414	/nfs/dbraw/zinc/21/64/14/572216414.db2.gz	UVCDCGGGCGCIRU-TUAOUCFPSA-N	0	0	198.306	3.130	10	0	endogenous,in-man	AGAERN
CC(C)(C)Cc1ccc(C=O)cc1	140439874	572216505	/nfs/dbraw/zinc/21/65/05/572216505.db2.gz	CGXKLNLXGJBZBI-UHFFFAOYSA-N	0	0	176.259	3.088	10	0		AGAERN
CC1=C[C@@]2(C)C(=O)CCCC2=CC1	140444044	572216768	/nfs/dbraw/zinc/21/67/68/572216768.db2.gz	QEMWGWISOMEAPU-GFCCVEGCSA-N	0	0	176.259	3.022	10	0		AGAERN
C/C(=C/Cl)Cc1ccccc1	207379062	572217454	/nfs/dbraw/zinc/21/74/54/572217454.db2.gz	TZQIQRXRRWJJQT-HJWRWDBZSA-N	0	0	166.651	3.372	10	0		AGAERN
CCC(CC)Nc1ccc(F)cc1N	20381628	572217535	/nfs/dbraw/zinc/21/75/35/572217535.db2.gz	XOXMFKDTHQBJQE-UHFFFAOYSA-N	0	0	196.269	3.008	10	0		AGAERN
CCCCNc1ccc(N)cc1Cl	20382650	572217542	/nfs/dbraw/zinc/21/75/42/572217542.db2.gz	LDVIUMARJMCMAD-UHFFFAOYSA-N	0	0	198.697	3.134	10	0		AGAERN
CC(C)C(C)(C)C[C@H](O)C(C)(F)F	713231472	572218367	/nfs/dbraw/zinc/21/83/67/572218367.db2.gz	YSRBHPSRUXYSKU-QMMMGPOBSA-N	0	0	194.265	3.075	10	0		AGAERN
CC[C@@H](C)Nc1ccc(Cl)cc1N	20381584	572218482	/nfs/dbraw/zinc/21/84/82/572218482.db2.gz	NSUOXIUVRKLNNX-SSDOTTSWSA-N	0	0	198.697	3.133	10	0		AGAERN
CC(C)C(C)(C)CC1(O)CCCC1	713231449	572219335	/nfs/dbraw/zinc/21/93/35/572219335.db2.gz	YOFPGMCYICKCMT-UHFFFAOYSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)Nc1ccc(Cl)cc1N	20381586	572219476	/nfs/dbraw/zinc/21/94/76/572219476.db2.gz	NSUOXIUVRKLNNX-ZETCQYMHSA-N	0	0	198.697	3.133	10	0		AGAERN
CC(C)=CCC[C@H](C)[C@@H]1OC[C@@H](C)O1	83409146	572219488	/nfs/dbraw/zinc/21/94/88/572219488.db2.gz	UVCDCGGGCGCIRU-QJPTWQEYSA-N	0	0	198.306	3.130	10	0	endogenous,in-man	AGAERN
CCC(CC)[C@@H](O)c1ccsc1	83448031	572220084	/nfs/dbraw/zinc/22/00/84/572220084.db2.gz	QGRKEAMQCDZNHF-SNVBAGLBSA-N	0	0	184.304	3.218	10	0		AGAERN
Cc1cc(CCC(=O)C(C)C)cs1	83453402	572220295	/nfs/dbraw/zinc/22/02/95/572220295.db2.gz	KBZPJFSLBUTSAB-UHFFFAOYSA-N	0	0	196.315	3.214	10	0		AGAERN
CC[C@H](C)Nc1ccc(N)cc1Cl	20381573	572220314	/nfs/dbraw/zinc/22/03/14/572220314.db2.gz	XJXCOZRWTGORLP-ZETCQYMHSA-N	0	0	198.697	3.133	10	0		AGAERN
CCCC[C@H](O)c1csc(C)c1	83448421	572220363	/nfs/dbraw/zinc/22/03/63/572220363.db2.gz	NHRCQIABANAZOQ-JTQLQIEISA-N	0	0	184.304	3.280	10	0		AGAERN
CCC(CC)[C@H](O)c1ccsc1	83448027	572220410	/nfs/dbraw/zinc/22/04/10/572220410.db2.gz	QGRKEAMQCDZNHF-JTQLQIEISA-N	0	0	184.304	3.218	10	0		AGAERN
CCCC(=O)CCc1csc(C)c1	83453400	572220443	/nfs/dbraw/zinc/22/04/43/572220443.db2.gz	VMBSJXKLAXDEDG-UHFFFAOYSA-N	0	0	196.315	3.358	10	0		AGAERN
CC(C)CC[C@]1(C)[C@H](CO)C1(C)C	300982825	572220487	/nfs/dbraw/zinc/22/04/87/572220487.db2.gz	KRVVDUKWWWJCRJ-ZYHUDNBSSA-N	0	0	184.323	3.077	10	0		AGAERN
CCC[C@H](O)CCc1csc(C)c1	83454087	572220624	/nfs/dbraw/zinc/22/06/24/572220624.db2.gz	MEXZSVXUKHEJPA-NSHDSACASA-N	0	0	198.331	3.150	10	0		AGAERN
CC[C@]1(C)CNc2c(C)cccc2N1	234108856	572220909	/nfs/dbraw/zinc/22/09/09/572220909.db2.gz	FNIYPLCRJQVJBU-GFCCVEGCSA-N	0	0	190.290	3.001	10	0		AGAERN
CC[C@]1(C)CNc2c(F)cc(F)cc21	234108947	572221129	/nfs/dbraw/zinc/22/11/29/572221129.db2.gz	LLAKKDAXXXTTLW-LLVKDONJSA-N	0	0	197.228	3.058	10	0		AGAERN
CC(C)[C@@H](C)Nc1c(F)cccc1F	20476204	572221293	/nfs/dbraw/zinc/22/12/93/572221293.db2.gz	LQODETQKBAFJLP-MRVPVSSYSA-N	0	0	199.244	3.421	10	0		AGAERN
CC(C)CC[C@]1(C)[C@@H](CO)C1(C)C	300982820	572221521	/nfs/dbraw/zinc/22/15/21/572221521.db2.gz	KRVVDUKWWWJCRJ-CMPLNLGQSA-N	0	0	184.323	3.077	10	0		AGAERN
Cc1cc(CC[C@H](O)C(C)C)cs1	83454106	572221593	/nfs/dbraw/zinc/22/15/93/572221593.db2.gz	OMPAAFQZHOBVAC-NSHDSACASA-N	0	0	198.331	3.006	10	0		AGAERN
CCC[C@@H](O)CCc1csc(C)c1	83454089	572221673	/nfs/dbraw/zinc/22/16/73/572221673.db2.gz	MEXZSVXUKHEJPA-LLVKDONJSA-N	0	0	198.331	3.150	10	0		AGAERN
C[C@H]1C[C@]1(O)C[C@H](C)CC(C)(C)C	221132008	572221829	/nfs/dbraw/zinc/22/18/29/572221829.db2.gz	NZMXSSNWHJAMEA-JFGNBEQYSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC[C@H](C)[C@H](O)c1ccsc1	83448469	572221842	/nfs/dbraw/zinc/22/18/42/572221842.db2.gz	RGGHLORPLQKHHQ-WPRPVWTQSA-N	0	0	184.304	3.218	10	0		AGAERN
CC[C@H](C)Nc1c(F)cccc1F	20476096	572221846	/nfs/dbraw/zinc/22/18/46/572221846.db2.gz	OLPGRUSXHJQPLY-ZETCQYMHSA-N	0	0	185.217	3.175	10	0		AGAERN
Cc1cc(N)ccc1SCC1CC1	36765435	572221875	/nfs/dbraw/zinc/22/18/75/572221875.db2.gz	JODDORPQOOULGI-UHFFFAOYSA-N	0	0	193.315	3.079	10	0		AGAERN
CCC[C@@H](C)[C@@H](O)c1ccsc1	83448472	572221914	/nfs/dbraw/zinc/22/19/14/572221914.db2.gz	RGGHLORPLQKHHQ-PSASIEDQSA-N	0	0	184.304	3.218	10	0		AGAERN
CC[C@]1(C)CNc2c(C)cc(C)cc21	234108832	572221997	/nfs/dbraw/zinc/22/19/97/572221997.db2.gz	ORDMNXBQYAIMHG-CYBMUJFWSA-N	0	0	189.302	3.397	10	0		AGAERN
CC[C@@H](C)Nc1c(F)cccc1F	20476095	572222178	/nfs/dbraw/zinc/22/21/78/572222178.db2.gz	OLPGRUSXHJQPLY-SSDOTTSWSA-N	0	0	185.217	3.175	10	0		AGAERN
CCC[C@@H](C)[C@H](O)c1ccsc1	83448468	572222192	/nfs/dbraw/zinc/22/21/92/572222192.db2.gz	RGGHLORPLQKHHQ-SCZZXKLOSA-N	0	0	184.304	3.218	10	0		AGAERN
CCC[C@H](C)[C@@H](O)c1ccsc1	83448475	572222285	/nfs/dbraw/zinc/22/22/85/572222285.db2.gz	RGGHLORPLQKHHQ-WCBMZHEXSA-N	0	0	184.304	3.218	10	0		AGAERN
CC[C@H](C)Sc1ccc(N)cc1F	20474998	572222364	/nfs/dbraw/zinc/22/23/64/572222364.db2.gz	JBJSUTDKTLFCOM-ZETCQYMHSA-N	0	0	199.294	3.299	10	0		AGAERN
Cc1cc(CC[C@@H](O)C(C)C)cs1	83454108	572222371	/nfs/dbraw/zinc/22/23/71/572222371.db2.gz	OMPAAFQZHOBVAC-LLVKDONJSA-N	0	0	198.331	3.006	10	0		AGAERN
CCc1cccc(NC/C=C/Cl)c1	234118026	572222602	/nfs/dbraw/zinc/22/26/02/572222602.db2.gz	SRKIIFNVZAYBFY-QPJJXVBHSA-N	0	0	195.693	3.413	10	0		AGAERN
CC[C@@H](C)Sc1ccc(N)cc1F	20474997	572222637	/nfs/dbraw/zinc/22/26/37/572222637.db2.gz	JBJSUTDKTLFCOM-SSDOTTSWSA-N	0	0	199.294	3.299	10	0		AGAERN
CCCCCCC(=O)CSCC	83484534	572223072	/nfs/dbraw/zinc/22/30/72/572223072.db2.gz	TWLXELJJBBTONG-UHFFFAOYSA-N	0	0	188.336	3.279	10	0		AGAERN
CCC(CC)Nc1ccc(N)cc1F	20474831	572223342	/nfs/dbraw/zinc/22/33/42/572223342.db2.gz	AMTKWXOKDRZVAP-UHFFFAOYSA-N	0	0	196.269	3.008	10	0		AGAERN
CCC[C@@H](C)CC(=O)CSCC	83484614	572223617	/nfs/dbraw/zinc/22/36/17/572223617.db2.gz	DYNKGDLEQRXYNN-SECBINFHSA-N	0	0	188.336	3.135	10	0		AGAERN
C[C@H]1CCCC[C@H]1n1cc[nH]c1=S	20581320	572224001	/nfs/dbraw/zinc/22/40/01/572224001.db2.gz	VCEIICPAUPBDLE-DTWKUNHWSA-N	0	0	196.319	3.297	10	0		AGAERN
C[C@@H](CCO)CCC1CCCCC1	113148807	572224101	/nfs/dbraw/zinc/22/41/01/572224101.db2.gz	WDUYXULLEPILOT-LLVKDONJSA-N	0	0	184.323	3.365	10	0		AGAERN
CCSCC(=O)CCC(C)(C)C	83484538	572224195	/nfs/dbraw/zinc/22/41/95/572224195.db2.gz	XQIMKFBWADLVCK-UHFFFAOYSA-N	0	0	188.336	3.135	10	0		AGAERN
CC(C)CSc1ccc(N)cc1F	20484023	572224514	/nfs/dbraw/zinc/22/45/14/572224514.db2.gz	ALLXWFVQNMVNNX-UHFFFAOYSA-N	0	0	199.294	3.156	10	0		AGAERN
C[C@H]1CCCC[C@@H]1n1cc[nH]c1=S	20581314	572224886	/nfs/dbraw/zinc/22/48/86/572224886.db2.gz	VCEIICPAUPBDLE-IUCAKERBSA-N	0	0	196.319	3.297	10	0		AGAERN
CCC[C@H](C)CC(=O)CSCC	83484615	572224753	/nfs/dbraw/zinc/22/47/53/572224753.db2.gz	DYNKGDLEQRXYNN-VIFPVBQESA-N	0	0	188.336	3.135	10	0		AGAERN
C/C(=C\C[C@@H]1CC[C@H](C)C1(C)C)CO	113147548	572224896	/nfs/dbraw/zinc/22/48/96/572224896.db2.gz	WNFFALOIJUMLCA-RGEGJOEESA-N	0	0	196.334	3.387	10	0		AGAERN
CC[C@H]1CC[C@](O)(C2=CCCCC2)C1	234113683	572224841	/nfs/dbraw/zinc/22/48/41/572224841.db2.gz	DAVGJHPNEKEYHQ-WCQYABFASA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)C[C@H](C)[C@@H](O)c1cccs1	300989513	572225284	/nfs/dbraw/zinc/22/52/84/572225284.db2.gz	VJSWXACUYYOGNI-GXSJLCMTSA-N	0	0	198.331	3.464	10	0		AGAERN
CC(C)C[C@@H](C)[C@H](O)c1cccs1	300989516	572225310	/nfs/dbraw/zinc/22/53/10/572225310.db2.gz	VJSWXACUYYOGNI-KOLCDFICSA-N	0	0	198.331	3.464	10	0		AGAERN
CCCC[C@H](C)C(=O)Cc1ccco1	300987479	572225432	/nfs/dbraw/zinc/22/54/32/572225432.db2.gz	VIOIXHKCCLXOGT-JTQLQIEISA-N	0	0	194.274	3.218	10	0		AGAERN
CC1CCC(n2cc[nH]c2=S)CC1	20581338	572225453	/nfs/dbraw/zinc/22/54/53/572225453.db2.gz	XIBNZFNHAYSGAF-UHFFFAOYSA-N	0	0	196.319	3.297	10	0		AGAERN
CCCC[C@@H](C)C(=O)Cc1ccco1	300987481	572225484	/nfs/dbraw/zinc/22/54/84/572225484.db2.gz	VIOIXHKCCLXOGT-SNVBAGLBSA-N	0	0	194.274	3.218	10	0		AGAERN
CC[C@@H](C)CC(=O)CSC(C)C	83488532	572225617	/nfs/dbraw/zinc/22/56/17/572225617.db2.gz	QISCWXRJAFAZNO-SECBINFHSA-N	0	0	188.336	3.133	10	0		AGAERN
Cc1cc(C=O)cc(C)c2cccc1-2	207419944	572225648	/nfs/dbraw/zinc/22/56/48/572225648.db2.gz	MNBVKOJLLNGVOF-UHFFFAOYSA-N	0	0	184.238	3.221	10	0		AGAERN
CC[C@H]1CCC[C@@H](C2(O)CC(C)C2)C1	234114154	572225709	/nfs/dbraw/zinc/22/57/09/572225709.db2.gz	YJCGLWOHJDZAFP-CMOBGSAGSA-N	0	0	196.334	3.364	10	0		AGAERN
CCCSCC(=O)C[C@H](C)CC	83486779	572225765	/nfs/dbraw/zinc/22/57/65/572225765.db2.gz	FSVKLWDQYULLNP-SECBINFHSA-N	0	0	188.336	3.135	10	0		AGAERN
CCCCC[C@@H](O)CSC(C)C	83488622	572225798	/nfs/dbraw/zinc/22/57/98/572225798.db2.gz	AWCPJIYYRGWHEH-SNVBAGLBSA-N	0	0	190.352	3.069	10	0		AGAERN
CC(C)[C@@H](C)Nc1ncccc1Cl	20523572	572225859	/nfs/dbraw/zinc/22/58/59/572225859.db2.gz	CHDJDEJTHVYUDP-MRVPVSSYSA-N	0	0	198.697	3.191	10	0		AGAERN
CC[C@H](C)CC(=O)CSC(C)C	83488533	572225873	/nfs/dbraw/zinc/22/58/73/572225873.db2.gz	QISCWXRJAFAZNO-VIFPVBQESA-N	0	0	188.336	3.133	10	0		AGAERN
CCCCCC(=O)CSC(C)C	83488487	572226228	/nfs/dbraw/zinc/22/62/28/572226228.db2.gz	LVZIYGFFHMOBRP-UHFFFAOYSA-N	0	0	188.336	3.277	10	0		AGAERN
CCCSCC(=O)C[C@@H](C)CC	83486778	572226586	/nfs/dbraw/zinc/22/65/86/572226586.db2.gz	FSVKLWDQYULLNP-VIFPVBQESA-N	0	0	188.336	3.135	10	0		AGAERN
Oc1cccc2c(F)c(Cl)ccc12	687822475	572226758	/nfs/dbraw/zinc/22/67/58/572226758.db2.gz	FGGBQOJXWGMYHA-UHFFFAOYSA-N	0	0	196.608	3.338	10	0		AGAERN
C/C(=C\C[C@@H]1CC[C@@H](C)C1(C)C)CO	113147545	572226806	/nfs/dbraw/zinc/22/68/06/572226806.db2.gz	WNFFALOIJUMLCA-VDUSXYPOSA-N	0	0	196.334	3.387	10	0		AGAERN
CCCCC[C@@H](O)CSCCC	83486868	572226818	/nfs/dbraw/zinc/22/68/18/572226818.db2.gz	MWOFUQCWDQOASM-SNVBAGLBSA-N	0	0	190.352	3.071	10	0		AGAERN
CCCSCC(=O)CCC(C)C	83486714	572226834	/nfs/dbraw/zinc/22/68/34/572226834.db2.gz	GUIVNVSJAVHGJC-UHFFFAOYSA-N	0	0	188.336	3.135	10	0		AGAERN
C[C@@H]1CCCC[C@H]1n1cc[nH]c1=S	20581317	572226850	/nfs/dbraw/zinc/22/68/50/572226850.db2.gz	VCEIICPAUPBDLE-RKDXNWHRSA-N	0	0	196.319	3.297	10	0		AGAERN
CCCCCC(=O)CSCCC	83486733	572227076	/nfs/dbraw/zinc/22/70/76/572227076.db2.gz	NKLYJICUBHIMSF-UHFFFAOYSA-N	0	0	188.336	3.279	10	0		AGAERN
Cc1cc(C=O)c(C)n1[C@H](C)C(C)C	20523441	572227102	/nfs/dbraw/zinc/22/71/02/572227102.db2.gz	CUNHCUPUKLQPAR-SNVBAGLBSA-N	0	0	193.290	3.134	10	0		AGAERN
CC(C)CCC(=O)CSC(C)C	83488468	572227113	/nfs/dbraw/zinc/22/71/13/572227113.db2.gz	GCMIYHNBVYCOQL-UHFFFAOYSA-N	0	0	188.336	3.133	10	0		AGAERN
CCCCC[C@H](O)CSC(C)C	83488621	572227217	/nfs/dbraw/zinc/22/72/17/572227217.db2.gz	AWCPJIYYRGWHEH-JTQLQIEISA-N	0	0	190.352	3.069	10	0		AGAERN
CCC[C@H](C)C[C@]1(O)CCC[C@@H]1C	83519555	572227926	/nfs/dbraw/zinc/22/79/26/572227926.db2.gz	BUMQLDWLFHWRCI-SDDRHHMPSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@H](O)CSC(C)(C)C	83490340	572228137	/nfs/dbraw/zinc/22/81/37/572228137.db2.gz	SQIWPOAQTBJFLG-VIFPVBQESA-N	0	0	190.352	3.069	10	0		AGAERN
CC(C)CC(=O)CSC(C)(C)C	83490103	572228173	/nfs/dbraw/zinc/22/81/73/572228173.db2.gz	FWTFDLQSJGVBPZ-UHFFFAOYSA-N	0	0	188.336	3.133	10	0		AGAERN
CCCCC(=O)CSC(C)(C)C	83490149	572228231	/nfs/dbraw/zinc/22/82/31/572228231.db2.gz	JUVRVMVOBOIYCL-UHFFFAOYSA-N	0	0	188.336	3.277	10	0		AGAERN
CCC[C@H](C)C[C@@]1(O)CCC[C@@H]1C	83519559	572228481	/nfs/dbraw/zinc/22/84/81/572228481.db2.gz	BUMQLDWLFHWRCI-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H](C)n1c(C(C)C)n[nH]c1=S	20590047	572228818	/nfs/dbraw/zinc/22/88/18/572228818.db2.gz	ZKOQWGGATBQMCY-SSDOTTSWSA-N	0	0	199.323	3.035	10	0		AGAERN
c1ccc2cc(NC3CC3)ccc2c1	20594642	572229162	/nfs/dbraw/zinc/22/91/62/572229162.db2.gz	JOZXRKZVZYHJON-UHFFFAOYSA-N	0	0	183.254	3.414	10	0		AGAERN
CCCCC(=O)CSCC(C)C	83491376	572229340	/nfs/dbraw/zinc/22/93/40/572229340.db2.gz	XZUNNEJSTIQGJD-UHFFFAOYSA-N	0	0	188.336	3.135	10	0		AGAERN
CCCC[C@@H](O)CSC(C)(C)C	83490341	572229414	/nfs/dbraw/zinc/22/94/14/572229414.db2.gz	SQIWPOAQTBJFLG-SECBINFHSA-N	0	0	190.352	3.069	10	0		AGAERN
CCc1ccc(C(=O)C(C)C)s1	36924248	572230606	/nfs/dbraw/zinc/23/06/06/572230606.db2.gz	OMLFHCDSWVHHRF-UHFFFAOYSA-N	0	0	182.288	3.149	10	0		AGAERN
CC(C)C[C@H](C)CC[C@@H](O)C(C)C	300995047	572229766	/nfs/dbraw/zinc/22/97/66/572229766.db2.gz	WFGJKRLVLZIMCS-VXGBXAGGSA-N	0	0	186.339	3.466	10	0		AGAERN
C[C@@H]1C[C@@H]1C(=O)c1c[nH]c2ccccc12	36943683	572229906	/nfs/dbraw/zinc/22/99/06/572229906.db2.gz	IUQYYMIRGFLKQS-SCZZXKLOSA-N	0	0	199.253	3.007	10	0		AGAERN
Cc1ccc2c(C(=O)C3CC3)c[nH]c2c1	36947524	572229945	/nfs/dbraw/zinc/22/99/45/572229945.db2.gz	BEOACPPPYYTGSE-UHFFFAOYSA-N	0	0	199.253	3.069	10	0		AGAERN
CCC(CC)Nc1ccc(N)cc1C	36950101	572230045	/nfs/dbraw/zinc/23/00/45/572230045.db2.gz	VHUBYYYIFDPDSZ-UHFFFAOYSA-N	0	0	192.306	3.178	10	0		AGAERN
CCCC(=O)CCCC[C@H]1CCCO1	83527606	572231439	/nfs/dbraw/zinc/23/14/39/572231439.db2.gz	QNVXZGJIEGMKIK-LBPRGKRZSA-N	0	0	198.306	3.095	10	0		AGAERN
CCC(C)(C)C(=O)O[C@@H](C)C(C)C	113187058	572230378	/nfs/dbraw/zinc/23/03/78/572230378.db2.gz	YKMPDXRUNIMPAL-VIFPVBQESA-N	0	0	186.295	3.010	10	0		AGAERN
C[C@@H]1C[C@H]1C(=O)c1c[nH]c2ccccc12	36943687	572230557	/nfs/dbraw/zinc/23/05/57/572230557.db2.gz	IUQYYMIRGFLKQS-PSASIEDQSA-N	0	0	199.253	3.007	10	0		AGAERN
CCC(C)(C)Nc1ccc(N)cc1C	36950154	572230583	/nfs/dbraw/zinc/23/05/83/572230583.db2.gz	FHFJNYIPJDHNGI-UHFFFAOYSA-N	0	0	192.306	3.178	10	0		AGAERN
CCCC[C@H](C)C(=O)c1cc[nH]c1	300992090	572230672	/nfs/dbraw/zinc/23/06/72/572230672.db2.gz	WBZOPPMIBODXLF-VIFPVBQESA-N	0	0	179.263	3.024	10	0		AGAERN
Cc1cc(N)ccc1SCC(C)C	36950321	572230775	/nfs/dbraw/zinc/23/07/75/572230775.db2.gz	XEMGRWCUKLMRLP-UHFFFAOYSA-N	0	0	195.331	3.325	10	0		AGAERN
C[C@H]1C[C@@H]1C(=O)c1c[nH]c2ccccc12	36943685	572230837	/nfs/dbraw/zinc/23/08/37/572230837.db2.gz	IUQYYMIRGFLKQS-WPRPVWTQSA-N	0	0	199.253	3.007	10	0		AGAERN
Cc1ccc(C)c(C(=O)[C@@H]2C[C@H]2C)c1	36939992	572231034	/nfs/dbraw/zinc/23/10/34/572231034.db2.gz	FWICUTKLUVAFMX-ZYHUDNBSSA-N	0	0	188.270	3.142	10	0		AGAERN
CCCC(=O)CCCC[C@@H]1CCCO1	83527605	572231673	/nfs/dbraw/zinc/23/16/73/572231673.db2.gz	QNVXZGJIEGMKIK-GFCCVEGCSA-N	0	0	198.306	3.095	10	0		AGAERN
CC(C)C[C@@H](C)CC[C@@H](O)C(C)C	300995040	572231763	/nfs/dbraw/zinc/23/17/63/572231763.db2.gz	WFGJKRLVLZIMCS-NWDGAFQWSA-N	0	0	186.339	3.466	10	0		AGAERN
Cc1ccc(C)c(C(=O)[C@@H]2C[C@@H]2C)c1	36939988	572231918	/nfs/dbraw/zinc/23/19/18/572231918.db2.gz	FWICUTKLUVAFMX-CMPLNLGQSA-N	0	0	188.270	3.142	10	0		AGAERN
CCc1ccc(C(=O)C2CCC2)s1	36943015	572231953	/nfs/dbraw/zinc/23/19/53/572231953.db2.gz	YDTQLCKTSPASJO-UHFFFAOYSA-N	0	0	194.299	3.293	10	0		AGAERN
C[C@H]1C[C@H]1C(=O)c1c[nH]c2ccccc12	36943689	572232020	/nfs/dbraw/zinc/23/20/20/572232020.db2.gz	IUQYYMIRGFLKQS-WCBMZHEXSA-N	0	0	199.253	3.007	10	0		AGAERN
CC(C)CC[C@H](O)[C@H](C)CC(C)C	300993132	572232156	/nfs/dbraw/zinc/23/21/56/572232156.db2.gz	VWXXSCWAXWOJPR-NEPJUHHUSA-N	0	0	186.339	3.466	10	0		AGAERN
CC(C)C[C@@H](C)CC(=O)C1CCC1	300991382	572232190	/nfs/dbraw/zinc/23/21/90/572232190.db2.gz	VQMSDYKHFWISEN-SNVBAGLBSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)C[C@H](C)CC[C@H](O)C(C)C	300995036	572232279	/nfs/dbraw/zinc/23/22/79/572232279.db2.gz	WFGJKRLVLZIMCS-NEPJUHHUSA-N	0	0	186.339	3.466	10	0		AGAERN
Cc1ccc(C)c(C(=O)[C@H]2C[C@@H]2C)c1	36939990	572232287	/nfs/dbraw/zinc/23/22/87/572232287.db2.gz	FWICUTKLUVAFMX-JQWIXIFHSA-N	0	0	188.270	3.142	10	0		AGAERN
CC(C)C[C@H](C)CC(=O)C1CCC1	300991381	572232303	/nfs/dbraw/zinc/23/23/03/572232303.db2.gz	VQMSDYKHFWISEN-JTQLQIEISA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)CCNc1cccnc1Cl	36982668	572232305	/nfs/dbraw/zinc/23/23/05/572232305.db2.gz	IMGYNHFUEQDYCX-UHFFFAOYSA-N	0	0	198.697	3.193	10	0		AGAERN
O=C(CSC1CCCC1)CC1CC1	83500400	572232600	/nfs/dbraw/zinc/23/26/00/572232600.db2.gz	GEWYVLGTLWAQLX-UHFFFAOYSA-N	0	0	198.331	3.031	10	0		AGAERN
CC(C)CC[C@H](O)[C@@H](C)CC(C)C	300993136	572232655	/nfs/dbraw/zinc/23/26/55/572232655.db2.gz	VWXXSCWAXWOJPR-RYUDHWBXSA-N	0	0	186.339	3.466	10	0		AGAERN
CCc1ccc(CC)c([C@H](O)CC)c1	70441240	572232661	/nfs/dbraw/zinc/23/26/61/572232661.db2.gz	LMUTWTPVEYHBNK-CYBMUJFWSA-N	0	0	192.302	3.255	10	0		AGAERN
CCC(C)(C)C(=O)O[C@H](C)C(C)C	113187059	572232664	/nfs/dbraw/zinc/23/26/64/572232664.db2.gz	YKMPDXRUNIMPAL-SECBINFHSA-N	0	0	186.295	3.010	10	0		AGAERN
CC(C)CC[C@@H](O)[C@@H](C)CC(C)C	300993133	572232679	/nfs/dbraw/zinc/23/26/79/572232679.db2.gz	VWXXSCWAXWOJPR-NWDGAFQWSA-N	0	0	186.339	3.466	10	0		AGAERN
CC[C@@H](CCc1ccsc1)C(C)=O	70543649	572232847	/nfs/dbraw/zinc/23/28/47/572232847.db2.gz	RCUDIKPWUOVQBI-NSHDSACASA-N	0	0	196.315	3.296	10	0		AGAERN
CCC(=O)CCCCC[C@H]1CCCO1	83531566	572232914	/nfs/dbraw/zinc/23/29/14/572232914.db2.gz	SFCJATHTAUJZMP-LBPRGKRZSA-N	0	0	198.306	3.095	10	0		AGAERN
CC[C@@H](C)SCC(=O)CC(C)C	83498301	572233045	/nfs/dbraw/zinc/23/30/45/572233045.db2.gz	JONZHXZSAQZUOT-SECBINFHSA-N	0	0	188.336	3.133	10	0		AGAERN
CCCCC(=O)CS[C@H](C)CC	83498390	572233289	/nfs/dbraw/zinc/23/32/89/572233289.db2.gz	POXUOBPTSBNDHD-SECBINFHSA-N	0	0	188.336	3.277	10	0		AGAERN
CC(C)CC[C@@H](O)[C@H](C)CC(C)C	300993139	572233319	/nfs/dbraw/zinc/23/33/19/572233319.db2.gz	VWXXSCWAXWOJPR-VXGBXAGGSA-N	0	0	186.339	3.466	10	0		AGAERN
CCc1ccc(CC)c([C@@H](O)CC)c1	70441241	572233606	/nfs/dbraw/zinc/23/36/06/572233606.db2.gz	LMUTWTPVEYHBNK-ZDUSSCGKSA-N	0	0	192.302	3.255	10	0		AGAERN
CCCC[C@H](O)CS[C@@H](C)CC	83498745	572233731	/nfs/dbraw/zinc/23/37/31/572233731.db2.gz	NSCRPQZVHATNAO-UWVGGRQHSA-N	0	0	190.352	3.069	10	0		AGAERN
CCC(=O)CCCCC[C@@H]1CCCO1	83531565	572233738	/nfs/dbraw/zinc/23/37/38/572233738.db2.gz	SFCJATHTAUJZMP-GFCCVEGCSA-N	0	0	198.306	3.095	10	0		AGAERN
CCCC[C@H](O)CS[C@H](C)CC	83498747	572233796	/nfs/dbraw/zinc/23/37/96/572233796.db2.gz	NSCRPQZVHATNAO-ZJUUUORDSA-N	0	0	190.352	3.069	10	0		AGAERN
CCCCC(=O)CS[C@@H](C)CC	83498389	572233774	/nfs/dbraw/zinc/23/37/74/572233774.db2.gz	POXUOBPTSBNDHD-VIFPVBQESA-N	0	0	188.336	3.277	10	0		AGAERN
CCCC[C@@H](O)CS[C@H](C)CC	83498748	572233798	/nfs/dbraw/zinc/23/37/98/572233798.db2.gz	NSCRPQZVHATNAO-NXEZZACHSA-N	0	0	190.352	3.069	10	0		AGAERN
CC[C@H](C)SCC(=O)CC(C)C	83498302	572233905	/nfs/dbraw/zinc/23/39/05/572233905.db2.gz	JONZHXZSAQZUOT-VIFPVBQESA-N	0	0	188.336	3.133	10	0		AGAERN
CCCC[C@@H](O)CS[C@@H](C)CC	83498746	572234032	/nfs/dbraw/zinc/23/40/32/572234032.db2.gz	NSCRPQZVHATNAO-VHSXEESVSA-N	0	0	190.352	3.069	10	0		AGAERN
CC(=O)[C@H]1C=CCC[C@@H]1C(C)(C)C	205586531	572235206	/nfs/dbraw/zinc/23/52/06/572235206.db2.gz	IEQHGUPCNZAEDS-MNOVXSKESA-N	0	0	180.291	3.204	10	0		AGAERN
CCCC(=O)C[C@H]1CCC(F)(F)C1	300997924	572234831	/nfs/dbraw/zinc/23/48/31/572234831.db2.gz	VGRZVNGTNQVOJM-MRVPVSSYSA-N	0	0	190.233	3.181	10	0		AGAERN
CCCOCc1ccc(Cl)cc1	168110898	572235671	/nfs/dbraw/zinc/23/56/71/572235671.db2.gz	AZQYYCQYLXIONK-UHFFFAOYSA-N	0	0	184.666	3.267	10	0		AGAERN
CCCC(=O)C[C@@H]1CCC(F)(F)C1	300997925	572235697	/nfs/dbraw/zinc/23/56/97/572235697.db2.gz	VGRZVNGTNQVOJM-QMMMGPOBSA-N	0	0	190.233	3.181	10	0		AGAERN
CC(=O)[C@H]1C=CCC[C@H]1C(C)(C)C	205586565	572235806	/nfs/dbraw/zinc/23/58/06/572235806.db2.gz	IEQHGUPCNZAEDS-GHMZBOCLSA-N	0	0	180.291	3.204	10	0		AGAERN
CC(=O)[C@@H]1C=CCC[C@H]1C(C)(C)C	205586549	572236255	/nfs/dbraw/zinc/23/62/55/572236255.db2.gz	IEQHGUPCNZAEDS-WDEREUQCSA-N	0	0	180.291	3.204	10	0		AGAERN
CCCCCCC(=O)c1ccoc1	70535545	572236288	/nfs/dbraw/zinc/23/62/88/572236288.db2.gz	ZKQBKXMGIUCKTO-UHFFFAOYSA-N	0	0	180.247	3.433	10	0		AGAERN
CCC[C@@H]1CC[C@H](O)[C@H](CCC)C1	43661068	572241364	/nfs/dbraw/zinc/24/13/64/572241364.db2.gz	ZACGHADFWOREQY-UTUOFQBUSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H](O)[C@@H](C)C/C=C/c1ccccc1	43658541	572241616	/nfs/dbraw/zinc/24/16/16/572241616.db2.gz	ZBNUWHMJWOUAEY-RZZPXTMHSA-N	0	0	190.286	3.107	10	0		AGAERN
CCC[C@@H]1CC[C@@H](O)[C@H](CCC)C1	43661072	572242030	/nfs/dbraw/zinc/24/20/30/572242030.db2.gz	ZACGHADFWOREQY-IJLUTSLNSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@H](C/C=C/c1ccccc1)[C@@H](C)O	43658537	572242085	/nfs/dbraw/zinc/24/20/85/572242085.db2.gz	ZBNUWHMJWOUAEY-RBWIOGKGSA-N	0	0	190.286	3.107	10	0		AGAERN
CCCCCc1ccnc(Cl)c1	88367241	572244215	/nfs/dbraw/zinc/24/42/15/572244215.db2.gz	LYCSTIYPSNKGJL-UHFFFAOYSA-N	0	0	183.682	3.468	10	0		AGAERN
CSCCCCCn1cccc1	235213669	572244554	/nfs/dbraw/zinc/24/45/54/572244554.db2.gz	QAQNUDGEBNPITP-UHFFFAOYSA-N	0	0	183.320	3.021	10	0		AGAERN
Cc1cccc(CNc2ccccc2)n1	37927638	572244955	/nfs/dbraw/zinc/24/49/55/572244955.db2.gz	AKHGKXXIQIFSAK-UHFFFAOYSA-N	0	0	198.269	3.002	10	0		AGAERN
Cc1cccc2c(=S)cc[nH]c12	45928528	572245223	/nfs/dbraw/zinc/24/52/23/572245223.db2.gz	CSANYJPJAKWFMS-UHFFFAOYSA-N	0	0	175.256	3.206	10	0		AGAERN
Cc1ccc2c(c1)nc(C(C)C)n2C	45238536	572245313	/nfs/dbraw/zinc/24/53/13/572245313.db2.gz	YDSXNPRSWMNXCG-UHFFFAOYSA-N	0	0	188.274	3.005	10	0		AGAERN
CC[C@@H](C)OCc1ccc(Cl)nc1	48264481	572246557	/nfs/dbraw/zinc/24/65/57/572246557.db2.gz	CUHSVUBFQUOQPU-MRVPVSSYSA-N	0	0	199.681	3.050	10	0		AGAERN
CC[C@H](C)OCc1ccc(Cl)nc1	48264482	572247611	/nfs/dbraw/zinc/24/76/11/572247611.db2.gz	CUHSVUBFQUOQPU-QMMMGPOBSA-N	0	0	199.681	3.050	10	0		AGAERN
C[C@@H](C(=O)CCC(C)(C)C)C1CC1	168130735	572248312	/nfs/dbraw/zinc/24/83/12/572248312.db2.gz	MCEAVKIWQXZMGX-SECBINFHSA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@H](C(=O)CCC(C)(C)C)C1CC1	168130632	572248757	/nfs/dbraw/zinc/24/87/57/572248757.db2.gz	MCEAVKIWQXZMGX-VIFPVBQESA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H](O)CC/C=C/c1ccccc1	49852215	572250082	/nfs/dbraw/zinc/25/00/82/572250082.db2.gz	VERRUGYMGBZQCA-BCRSCGJKSA-N	0	0	190.286	3.251	10	0		AGAERN
CC[C@H](O)CC/C=C/c1ccccc1	49852214	572250452	/nfs/dbraw/zinc/25/04/52/572250452.db2.gz	VERRUGYMGBZQCA-PPOCWRSBSA-N	0	0	190.286	3.251	10	0		AGAERN
CC(C)Nc1ccc2ccccc2n1	21797817	572251077	/nfs/dbraw/zinc/25/10/77/572251077.db2.gz	KHGZXHVOKYDPEM-UHFFFAOYSA-N	0	0	186.258	3.055	10	0		AGAERN
CCC[C@H](C)C[C@@H](O)c1ccc(C)o1	83504581	572326392	/nfs/dbraw/zinc/32/63/92/572326392.db2.gz	DOKLSZQMQDJDFR-GXSJLCMTSA-N	0	0	196.290	3.448	10	0		AGAERN
CCC(O)(CC)CCc1cccs1	83503330	572326393	/nfs/dbraw/zinc/32/63/93/572326393.db2.gz	BUPPZGCXKFBMKA-UHFFFAOYSA-N	0	0	198.331	3.232	10	0		AGAERN
CC[C@H](C)C[C@](C)(O)[C@@H](C)CC	83503676	572326351	/nfs/dbraw/zinc/32/63/51/572326351.db2.gz	NAVKYPOAXFGXAK-DCAQKATOSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCC[C@@H](O)C[C@@H](C)CCC	83505727	572327204	/nfs/dbraw/zinc/32/72/04/572327204.db2.gz	VYRILEVMENROPJ-WDEREUQCSA-N	0	0	172.312	3.364	10	0		AGAERN
CC[C@H](C)C[C@](C)(O)c1cccs1	83504195	572327223	/nfs/dbraw/zinc/32/72/23/572327223.db2.gz	SPAFJKXTYVJSEP-ONGXEEELSA-N	0	0	198.331	3.392	10	0		AGAERN
CCC[C@H](C)[C@H](O)CC1CCCC1	83505965	572327264	/nfs/dbraw/zinc/32/72/64/572327264.db2.gz	JGICYKTVVBRRPL-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@@H](C)C[C@@](C)(O)C(C)C	83503392	572327267	/nfs/dbraw/zinc/32/72/67/572327267.db2.gz	JXWJCCBBQVYRBV-GHMZBOCLSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@H](C)[C@@H](O)CC1CCCC1	83505967	572327294	/nfs/dbraw/zinc/32/72/94/572327294.db2.gz	JGICYKTVVBRRPL-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
CC/C(=C\CC=C(C)C)CCO	307974943	572327308	/nfs/dbraw/zinc/32/73/08/572327308.db2.gz	FDYUECDOYVWNTN-YRNVUSSQSA-N	0	0	168.280	3.062	10	0		AGAERN
CCC(CC)[C@@H](O)CC1CCCC1	83504933	572327309	/nfs/dbraw/zinc/32/73/09/572327309.db2.gz	YMXISUPLXCEAED-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@H](O)c1ccccc1CC	83505382	572327312	/nfs/dbraw/zinc/32/73/12/572327312.db2.gz	ZHDZPUUTDWXYPT-ZDUSSCGKSA-N	0	0	192.302	3.473	10	0		AGAERN
CCC(CC)[C@H](O)CC1CCCC1	83504932	572327317	/nfs/dbraw/zinc/32/73/17/572327317.db2.gz	YMXISUPLXCEAED-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)[C@](C)(O)CCc1ccsc1	83503356	572327322	/nfs/dbraw/zinc/32/73/22/572327322.db2.gz	YNIVFFPUWDECJZ-LLVKDONJSA-N	0	0	198.331	3.088	10	0		AGAERN
Cc1ccc([C@@H](O)CCC(C)(C)C)o1	83504550	572327352	/nfs/dbraw/zinc/32/73/52/572327352.db2.gz	FQCPNLRUOJSECQ-JTQLQIEISA-N	0	0	196.290	3.448	10	0		AGAERN
CCCCC[C@H](O)C[C@@H](C)CC	83506028	572327359	/nfs/dbraw/zinc/32/73/59/572327359.db2.gz	OVZFOJQKHKKARM-QWRGUYRKSA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@@H](C)[C@H](O)CC1CCCC1	83505964	572327427	/nfs/dbraw/zinc/32/74/27/572327427.db2.gz	JGICYKTVVBRRPL-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@@H](O)CCC(C)(C)C	83505687	572327431	/nfs/dbraw/zinc/32/74/31/572327431.db2.gz	ZCXLNCVCQISZAB-SNVBAGLBSA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@@H](C)CC1(O)CCCC1	83502800	572327368	/nfs/dbraw/zinc/32/73/68/572327368.db2.gz	HZAPEQSAWDFOLH-SNVBAGLBSA-N	0	0	170.296	3.118	10	0		AGAERN
CC(C)[C@@](C)(O)CCc1ccsc1	83503357	572327196	/nfs/dbraw/zinc/32/71/96/572327196.db2.gz	YNIVFFPUWDECJZ-NSHDSACASA-N	0	0	198.331	3.088	10	0		AGAERN
CCC[C@@H](C)C[C@@H](O)c1ccc(C)o1	83504580	572327329	/nfs/dbraw/zinc/32/73/29/572327329.db2.gz	DOKLSZQMQDJDFR-MWLCHTKSSA-N	0	0	196.290	3.448	10	0		AGAERN
CC[C@H](C)[C@@](C)(O)Cc1ccsc1	83503646	572327377	/nfs/dbraw/zinc/32/73/77/572327377.db2.gz	FMALYDKVRZXZPJ-ONGXEEELSA-N	0	0	198.331	3.088	10	0		AGAERN
CCC(=O)CC[C@H]1CC=CCC1	238197593	572327381	/nfs/dbraw/zinc/32/73/81/572327381.db2.gz	VNCDLUYFPKMMTG-JTQLQIEISA-N	0	0	166.264	3.102	10	0		AGAERN
CCc1ccc([C@@H](O)C[C@@H](C)CC)o1	83505263	572327410	/nfs/dbraw/zinc/32/74/10/572327410.db2.gz	DMZZJVLZXAEDNE-ONGXEEELSA-N	0	0	196.290	3.312	10	0		AGAERN
CCCCCCSC[C@H](O)CC	238197965	572327424	/nfs/dbraw/zinc/32/74/24/572327424.db2.gz	BHJVOKKYJFZMKU-SNVBAGLBSA-N	0	0	190.352	3.071	10	0		AGAERN
CCC[C@H](C)C[C@@](C)(O)C(C)C	83503393	572327438	/nfs/dbraw/zinc/32/74/38/572327438.db2.gz	JXWJCCBBQVYRBV-WDEREUQCSA-N	0	0	172.312	3.220	10	0		AGAERN
CC(C)[C@](C)(O)CCC(C)(C)C	83503348	572327459	/nfs/dbraw/zinc/32/74/59/572327459.db2.gz	URJYMXGXRGUFEU-LLVKDONJSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@@H](C)[C@@](C)(O)CC1CCCC1	83503673	572327463	/nfs/dbraw/zinc/32/74/63/572327463.db2.gz	AHAHEVISULSGLK-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCCC[C@H](O)[C@@H]1CC=CCC1	83505604	572327469	/nfs/dbraw/zinc/32/74/69/572327469.db2.gz	DUHHBTQQURABOU-NEPJUHHUSA-N	0	0	182.307	3.284	10	0		AGAERN
CCC(CC)[C@@H](O)C[C@H](C)CC	83504934	572327481	/nfs/dbraw/zinc/32/74/81/572327481.db2.gz	GFBPOCRZFRMGHF-KOLCDFICSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@@H](C)[C@](C)(O)CC1CCCC1	83503671	572327711	/nfs/dbraw/zinc/32/77/11/572327711.db2.gz	AHAHEVISULSGLK-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@@](C)(O)c1cccs1	83504163	572327504	/nfs/dbraw/zinc/32/75/04/572327504.db2.gz	XUOLIUGOZWJYMQ-SNVBAGLBSA-N	0	0	184.304	3.146	10	0		AGAERN
CCCCC[C@](C)(O)[C@H](C)CC	83503581	572327689	/nfs/dbraw/zinc/32/76/89/572327689.db2.gz	HXUBWRDFKJVKBB-MNOVXSKESA-N	0	0	172.312	3.364	10	0		AGAERN
CCCCC[C@H](O)C[C@H](C)CC	83506030	572327692	/nfs/dbraw/zinc/32/76/92/572327692.db2.gz	OVZFOJQKHKKARM-MNOVXSKESA-N	0	0	172.312	3.364	10	0		AGAERN
CCCCC[C@@H](O)C[C@H](C)CC	83506031	572327705	/nfs/dbraw/zinc/32/77/05/572327705.db2.gz	OVZFOJQKHKKARM-GHMZBOCLSA-N	0	0	172.312	3.364	10	0		AGAERN
CCCC[C@@](C)(O)c1ccccc1F	83503017	572327707	/nfs/dbraw/zinc/32/77/07/572327707.db2.gz	NXZSFMAJFDLJIF-GFCCVEGCSA-N	0	0	196.265	3.223	10	0		AGAERN
CC[C@](O)(CC1CCCC1)C1CC1	83507456	572328049	/nfs/dbraw/zinc/32/80/49/572328049.db2.gz	ONGGDUGUCIZBCD-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
CCCCC[C@@]1(O)CC[C@H](C)C1	83506772	572328277	/nfs/dbraw/zinc/32/82/77/572328277.db2.gz	YBOHPMRWCOBUMW-WDEREUQCSA-N	0	0	170.296	3.118	10	0		AGAERN
CCCCCCC(=C=CCO)CC	238197916	572328365	/nfs/dbraw/zinc/32/83/65/572328365.db2.gz	WFMABJVJLGDWHU-UHFFFAOYSA-N	0	0	182.307	3.441	10	0		AGAERN
CCCCC[C@@H](O)[C@H]1CC=CCC1	83505603	572326136	/nfs/dbraw/zinc/32/61/36/572326136.db2.gz	DUHHBTQQURABOU-NWDGAFQWSA-N	0	0	182.307	3.284	10	0		AGAERN
CC[C@@H](C)[C@](C)(O)CCC(C)C	83503647	572326139	/nfs/dbraw/zinc/32/61/39/572326139.db2.gz	OJIGLRBDEPMATG-GHMZBOCLSA-N	0	0	172.312	3.220	10	0		AGAERN
CCc1ccc([C@@H](O)C[C@H](C)CC)o1	83505265	572326141	/nfs/dbraw/zinc/32/61/41/572326141.db2.gz	DMZZJVLZXAEDNE-KOLCDFICSA-N	0	0	196.290	3.312	10	0		AGAERN
CC[C@H](C)[C@@](C)(O)Cc1cccs1	83503626	572326148	/nfs/dbraw/zinc/32/61/48/572326148.db2.gz	UQCXJZNDEVRLJU-ONGXEEELSA-N	0	0	198.331	3.088	10	0		AGAERN
CCCCC[C@@H](O)c1ccc(CC)o1	83505235	572326154	/nfs/dbraw/zinc/32/61/54/572326154.db2.gz	VNISZMWEMLLSCI-LLVKDONJSA-N	0	0	196.290	3.456	10	0		AGAERN
CCCC[C@@](C)(O)c1ccc(C)cc1	83502911	572326160	/nfs/dbraw/zinc/32/61/60/572326160.db2.gz	BQQKBKPJTBNUIQ-CYBMUJFWSA-N	0	0	192.302	3.393	10	0		AGAERN
CC[C@@](O)(Cc1ccsc1)C(C)C	83503735	572326169	/nfs/dbraw/zinc/32/61/69/572326169.db2.gz	HMOOMFNYFJGUHT-LLVKDONJSA-N	0	0	198.331	3.088	10	0		AGAERN
CCC[C@@H](C)C[C@](C)(O)C(C)C	83503390	572326174	/nfs/dbraw/zinc/32/61/74/572326174.db2.gz	JXWJCCBBQVYRBV-MNOVXSKESA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCC[C@@H](O)[C@@H]1CC=CCC1	83505605	572326183	/nfs/dbraw/zinc/32/61/83/572326183.db2.gz	DUHHBTQQURABOU-VXGBXAGGSA-N	0	0	182.307	3.284	10	0		AGAERN
CCCC[C@H](O)CCC(C)(C)C	83505686	572326186	/nfs/dbraw/zinc/32/61/86/572326186.db2.gz	ZCXLNCVCQISZAB-JTQLQIEISA-N	0	0	172.312	3.364	10	0		AGAERN
CC(C)CC[C@H](O)[C@@H]1CC=CCC1	83505652	572326205	/nfs/dbraw/zinc/32/62/05/572326205.db2.gz	NMKXGTDADXNLKN-NEPJUHHUSA-N	0	0	182.307	3.140	10	0		AGAERN
CCc1ccc(C[C@@](C)(O)CC)s1	83503304	572326216	/nfs/dbraw/zinc/32/62/16/572326216.db2.gz	FIJVBEHXPURNIF-NSHDSACASA-N	0	0	198.331	3.014	10	0		AGAERN
CC[C@](O)(Cc1cccs1)C(C)C	83503726	572326221	/nfs/dbraw/zinc/32/62/21/572326221.db2.gz	HSLDRMFOTQAOIU-NSHDSACASA-N	0	0	198.331	3.088	10	0		AGAERN
CCc1ccc([C@@H](O)CCC(C)C)o1	83505257	572326226	/nfs/dbraw/zinc/32/62/26/572326226.db2.gz	RRZDOLKIAQFOMM-NSHDSACASA-N	0	0	196.290	3.312	10	0		AGAERN
CCCCC[C@@H](O)C[C@@H](C)CC	83506029	572326229	/nfs/dbraw/zinc/32/62/29/572326229.db2.gz	OVZFOJQKHKKARM-WDEREUQCSA-N	0	0	172.312	3.364	10	0		AGAERN
CCC(O)(CC)CCC(C)(C)C	83503311	572326231	/nfs/dbraw/zinc/32/62/31/572326231.db2.gz	WJISKNJLHHWUHQ-UHFFFAOYSA-N	0	0	172.312	3.364	10	0		AGAERN
Cc1ccc([C@H](O)CCC(C)(C)C)o1	83504549	572326234	/nfs/dbraw/zinc/32/62/34/572326234.db2.gz	FQCPNLRUOJSECQ-SNVBAGLBSA-N	0	0	196.290	3.448	10	0		AGAERN
CC(C)[C@](C)(O)CCc1cccs1	83503376	572326238	/nfs/dbraw/zinc/32/62/38/572326238.db2.gz	URIXGECLSXIODQ-LLVKDONJSA-N	0	0	198.331	3.088	10	0		AGAERN
CCC(CC)[C@H](O)C[C@H](C)CC	83504936	572326261	/nfs/dbraw/zinc/32/62/61/572326261.db2.gz	GFBPOCRZFRMGHF-MWLCHTKSSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@@H](C)CC(O)(CC)CC	83503340	572326273	/nfs/dbraw/zinc/32/62/73/572326273.db2.gz	KRPKWTUJBLMFAG-SNVBAGLBSA-N	0	0	172.312	3.364	10	0		AGAERN
CC[C@H](C)C[C@](O)(CC)C(C)C	83503754	572326275	/nfs/dbraw/zinc/32/62/75/572326275.db2.gz	AHLNXVVVEFFSCC-WDEREUQCSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCCC[C@H](O)CCSC	83505748	572326278	/nfs/dbraw/zinc/32/62/78/572326278.db2.gz	PLFAJBFQJRVLEV-JTQLQIEISA-N	0	0	190.352	3.071	10	0		AGAERN
CCC[C@H](C)[C@H](O)CCC(C)C	83505945	572326281	/nfs/dbraw/zinc/32/62/81/572326281.db2.gz	MJMCWJLWOBFAAK-WDEREUQCSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCCC[C@@](C)(O)C(C)C	83503353	572326300	/nfs/dbraw/zinc/32/63/00/572326300.db2.gz	GVPQWMOGDQUZJS-LLVKDONJSA-N	0	0	172.312	3.364	10	0		AGAERN
CCCC[C@](C)(O)c1cccc(F)c1	83502990	572326303	/nfs/dbraw/zinc/32/63/03/572326303.db2.gz	SVKZGVQBLOAPHH-LBPRGKRZSA-N	0	0	196.265	3.223	10	0		AGAERN
CCCCC[C@](C)(O)[C@@H](C)CC	83503579	572326318	/nfs/dbraw/zinc/32/63/18/572326318.db2.gz	HXUBWRDFKJVKBB-QWRGUYRKSA-N	0	0	172.312	3.364	10	0		AGAERN
CC[C@H](C)[C@](C)(O)Cc1ccsc1	83503644	572326319	/nfs/dbraw/zinc/32/63/19/572326319.db2.gz	FMALYDKVRZXZPJ-GXSJLCMTSA-N	0	0	198.331	3.088	10	0		AGAERN
CC[C@](O)(CCC(C)C)C(C)C	83503738	572326321	/nfs/dbraw/zinc/32/63/21/572326321.db2.gz	GOXKIXIVVGWCIS-NSHDSACASA-N	0	0	172.312	3.220	10	0		AGAERN
CCCC[C@@H](O)CC1CCCC1	83505721	572326328	/nfs/dbraw/zinc/32/63/28/572326328.db2.gz	BEIWQJDTNBQTPH-LLVKDONJSA-N	0	0	170.296	3.118	10	0		AGAERN
CCCC/C=C\[C@H](O)[C@@H](C)CC	307975930	572326337	/nfs/dbraw/zinc/32/63/37/572326337.db2.gz	HEQSJHSQVVTVIX-QGNYPYLESA-N	0	0	170.296	3.140	10	0		AGAERN
CCC[C@H](C)C[C@H](O)c1ccc(C)o1	83504579	572326366	/nfs/dbraw/zinc/32/63/66/572326366.db2.gz	DOKLSZQMQDJDFR-ONGXEEELSA-N	0	0	196.290	3.448	10	0		AGAERN
CCCC[C@](C)(O)c1ccc(F)cc1	83502962	572326370	/nfs/dbraw/zinc/32/63/70/572326370.db2.gz	SUVSPFLMQVVURA-LBPRGKRZSA-N	0	0	196.265	3.223	10	0		AGAERN
CCC[C@H](C)[C@@H](O)CCC(C)C	83505947	572326375	/nfs/dbraw/zinc/32/63/75/572326375.db2.gz	MJMCWJLWOBFAAK-QWRGUYRKSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@@H](C)[C@@](C)(O)Cc1ccsc1	83503645	572326397	/nfs/dbraw/zinc/32/63/97/572326397.db2.gz	FMALYDKVRZXZPJ-KOLCDFICSA-N	0	0	198.331	3.088	10	0		AGAERN
CCc1ccc(C[C@](C)(O)CC)s1	83503303	572326399	/nfs/dbraw/zinc/32/63/99/572326399.db2.gz	FIJVBEHXPURNIF-LLVKDONJSA-N	0	0	198.331	3.014	10	0		AGAERN
CC[C@H](C)C[C@@](C)(O)c1cccs1	83504197	572326401	/nfs/dbraw/zinc/32/64/01/572326401.db2.gz	SPAFJKXTYVJSEP-GXSJLCMTSA-N	0	0	198.331	3.392	10	0		AGAERN
CC[C@H](C)C[C@@H](O)[C@H]1CC=CCC1	83505665	572326409	/nfs/dbraw/zinc/32/64/09/572326409.db2.gz	GBWCDOPDDKLFTL-SDDRHHMPSA-N	0	0	182.307	3.140	10	0		AGAERN
CC[C@@H](C)[C@@](C)(O)Cc1cccs1	83503625	572326412	/nfs/dbraw/zinc/32/64/12/572326412.db2.gz	UQCXJZNDEVRLJU-KOLCDFICSA-N	0	0	198.331	3.088	10	0		AGAERN
CCCC[C@H](O)CC1CCCC1	83505720	572326433	/nfs/dbraw/zinc/32/64/33/572326433.db2.gz	BEIWQJDTNBQTPH-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
CCC/C=C\C[C@@H](O)C(C)(C)C	307975135	572326438	/nfs/dbraw/zinc/32/64/38/572326438.db2.gz	FJUTYOQUCFNHGE-GQYWMQPJSA-N	0	0	170.296	3.140	10	0		AGAERN
CCc1ccc([C@H](O)C[C@@H](C)CC)o1	83505262	572326450	/nfs/dbraw/zinc/32/64/50/572326450.db2.gz	DMZZJVLZXAEDNE-GXSJLCMTSA-N	0	0	196.290	3.312	10	0		AGAERN
CC[C@H](C)C[C@@H](O)c1ccc(C)o1	83504575	572326453	/nfs/dbraw/zinc/32/64/53/572326453.db2.gz	WRIBUEBHUKRQQM-WCBMZHEXSA-N	0	0	182.263	3.058	10	0		AGAERN
CCC(O)(CC)CC1CCCC1	83503333	572326460	/nfs/dbraw/zinc/32/64/60/572326460.db2.gz	COWKLGJVANLDPE-UHFFFAOYSA-N	0	0	170.296	3.118	10	0		AGAERN
Cc1ccc([C@H](O)CCC(C)C)o1	83504567	572326467	/nfs/dbraw/zinc/32/64/67/572326467.db2.gz	ACPSKMCPUCDJJS-SNVBAGLBSA-N	0	0	182.263	3.058	10	0		AGAERN
CCCCCC[C@@](C)(O)C1CC1	83503411	572326484	/nfs/dbraw/zinc/32/64/84/572326484.db2.gz	ANYYVMYKMGEPKD-LLVKDONJSA-N	0	0	170.296	3.118	10	0		AGAERN
CCC(O)(CC)CCc1ccsc1	83503317	572326507	/nfs/dbraw/zinc/32/65/07/572326507.db2.gz	JMHFKGOJQWZDEO-UHFFFAOYSA-N	0	0	198.331	3.232	10	0		AGAERN
CCC[C@@H](C)[C@H](O)CCC(C)C	83505944	572326519	/nfs/dbraw/zinc/32/65/19/572326519.db2.gz	MJMCWJLWOBFAAK-GHMZBOCLSA-N	0	0	172.312	3.220	10	0		AGAERN
CC(C)CC[C@@H](O)[C@@H]1CC=CCC1	83505653	572326521	/nfs/dbraw/zinc/32/65/21/572326521.db2.gz	NMKXGTDADXNLKN-VXGBXAGGSA-N	0	0	182.307	3.140	10	0		AGAERN
CCCC[C@H](O)CCc1ccsc1	83505696	572326534	/nfs/dbraw/zinc/32/65/34/572326534.db2.gz	JEXQRJSIUAXBJR-NSHDSACASA-N	0	0	198.331	3.232	10	0		AGAERN
CCC/C=C\C[C@H](O)C(C)(C)C	307975133	572326538	/nfs/dbraw/zinc/32/65/38/572326538.db2.gz	FJUTYOQUCFNHGE-DMEOUFDRSA-N	0	0	170.296	3.140	10	0		AGAERN
CC[C@H](C)C[C@H](O)[C@H]1CC=CCC1	83505663	572326571	/nfs/dbraw/zinc/32/65/71/572326571.db2.gz	GBWCDOPDDKLFTL-SRVKXCTJSA-N	0	0	182.307	3.140	10	0		AGAERN
CCC[C@H](C)[C@H](O)C[C@@H](C)CC	83505969	572326578	/nfs/dbraw/zinc/32/65/78/572326578.db2.gz	TYROOYGJZURWAM-GARJFASQSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@@H](C)C[C@@](C)(O)c1cccs1	83504196	572326584	/nfs/dbraw/zinc/32/65/84/572326584.db2.gz	SPAFJKXTYVJSEP-MWLCHTKSSA-N	0	0	198.331	3.392	10	0		AGAERN
CC[C@H](C)[C@@](C)(O)CCC(C)C	83503650	572326587	/nfs/dbraw/zinc/32/65/87/572326587.db2.gz	OJIGLRBDEPMATG-QWRGUYRKSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCC[C@@H](O)c1ccccc1CC	83505383	572326596	/nfs/dbraw/zinc/32/65/96/572326596.db2.gz	ZHDZPUUTDWXYPT-CYBMUJFWSA-N	0	0	192.302	3.473	10	0		AGAERN
CCCC[C@@H](O)CCc1ccsc1	83505697	572326608	/nfs/dbraw/zinc/32/66/08/572326608.db2.gz	JEXQRJSIUAXBJR-LLVKDONJSA-N	0	0	198.331	3.232	10	0		AGAERN
CCCC[C@@H](O)CCc1cccs1	83505713	572326637	/nfs/dbraw/zinc/32/66/37/572326637.db2.gz	RLKJOONINPLNBU-SNVBAGLBSA-N	0	0	198.331	3.232	10	0		AGAERN
CC[C@@](O)(CC1CCCC1)C(C)C	83503749	572326641	/nfs/dbraw/zinc/32/66/41/572326641.db2.gz	KJRWDKMZEMEFAL-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)[C@@](C)(O)CCc1cccs1	83503377	572327229	/nfs/dbraw/zinc/32/72/29/572327229.db2.gz	URIXGECLSXIODQ-NSHDSACASA-N	0	0	198.331	3.088	10	0		AGAERN
C/C(=C/CO)CCCCC(C)C	307975337	572326657	/nfs/dbraw/zinc/32/66/57/572326657.db2.gz	FYGLCUJAJHTVHX-FLIBITNWSA-N	0	0	170.296	3.141	10	0		AGAERN
CC[C@@H](C)C[C@H](O)c1ccc(C)o1	83504572	572326674	/nfs/dbraw/zinc/32/66/74/572326674.db2.gz	WRIBUEBHUKRQQM-SCZZXKLOSA-N	0	0	182.263	3.058	10	0		AGAERN
CC(C)CC[C@H](O)[C@H]1CC=CCC1	83505650	572326677	/nfs/dbraw/zinc/32/66/77/572326677.db2.gz	NMKXGTDADXNLKN-RYUDHWBXSA-N	0	0	182.307	3.140	10	0		AGAERN
CC[C@@H](C)C[C@@H](O)c1ccc(C)o1	83504574	572326685	/nfs/dbraw/zinc/32/66/85/572326685.db2.gz	WRIBUEBHUKRQQM-PSASIEDQSA-N	0	0	182.263	3.058	10	0		AGAERN
CCC[C@@H](C)[C@@H](O)CC1CCCC1	83505966	572326687	/nfs/dbraw/zinc/32/66/87/572326687.db2.gz	JGICYKTVVBRRPL-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)CC[C@@H](O)[C@H]1CC=CCC1	83505651	572326698	/nfs/dbraw/zinc/32/66/98/572326698.db2.gz	NMKXGTDADXNLKN-NWDGAFQWSA-N	0	0	182.307	3.140	10	0		AGAERN
CC[C@H](C)[C@](C)(O)Cc1cccs1	83503624	572326703	/nfs/dbraw/zinc/32/67/03/572326703.db2.gz	UQCXJZNDEVRLJU-GXSJLCMTSA-N	0	0	198.331	3.088	10	0		AGAERN
CCCC/C=C/[C@H](O)c1ccoc1	238193964	572326713	/nfs/dbraw/zinc/32/67/13/572326713.db2.gz	RGEKXQXGYZHIKS-QRGHLMKCSA-N	0	0	180.247	3.059	10	0		AGAERN
CCC[C@@H](C)[C@@H](O)CCC(C)C	83505946	572326717	/nfs/dbraw/zinc/32/67/17/572326717.db2.gz	MJMCWJLWOBFAAK-MNOVXSKESA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCC[C@@](O)(CC)C(C)C	83503703	572326730	/nfs/dbraw/zinc/32/67/30/572326730.db2.gz	SRTVPZOATQSQFK-NSHDSACASA-N	0	0	172.312	3.364	10	0		AGAERN
CC[C@@H](C)[C@@](C)(O)CCC(C)C	83503649	572326753	/nfs/dbraw/zinc/32/67/53/572326753.db2.gz	OJIGLRBDEPMATG-MNOVXSKESA-N	0	0	172.312	3.220	10	0		AGAERN
CCCC[C@@](C)(O)c1cccc(F)c1	83502991	572326777	/nfs/dbraw/zinc/32/67/77/572326777.db2.gz	SVKZGVQBLOAPHH-GFCCVEGCSA-N	0	0	196.265	3.223	10	0		AGAERN
CC[C@@H](C)[C@](C)(O)Cc1cccs1	83503623	572326783	/nfs/dbraw/zinc/32/67/83/572326783.db2.gz	UQCXJZNDEVRLJU-MWLCHTKSSA-N	0	0	198.331	3.088	10	0		AGAERN
CCCCC[C@](O)(CC)C(C)C	83503704	572326787	/nfs/dbraw/zinc/32/67/87/572326787.db2.gz	SRTVPZOATQSQFK-LLVKDONJSA-N	0	0	172.312	3.364	10	0		AGAERN
CC[C@@](O)(Cc1cccs1)C(C)C	83503725	572327232	/nfs/dbraw/zinc/32/72/32/572327232.db2.gz	HSLDRMFOTQAOIU-LLVKDONJSA-N	0	0	198.331	3.088	10	0		AGAERN
CC[C@H](C)[C@](C)(O)CC1CCCC1	83503672	572326790	/nfs/dbraw/zinc/32/67/90/572326790.db2.gz	AHAHEVISULSGLK-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H](C)C[C@@](C)(O)c1ccccc1	83502900	572326793	/nfs/dbraw/zinc/32/67/93/572326793.db2.gz	PVXILSHWDIDATE-DGCLKSJQSA-N	0	0	192.302	3.330	10	0		AGAERN
CCCC[C@@H](O)c1ccc(CC)o1	83505233	572326810	/nfs/dbraw/zinc/32/68/10/572326810.db2.gz	DPCCSTCXHISDHI-SNVBAGLBSA-N	0	0	182.263	3.066	10	0		AGAERN
CCCC[C@](C)(O)c1ccccc1F	83503016	572326827	/nfs/dbraw/zinc/32/68/27/572326827.db2.gz	NXZSFMAJFDLJIF-LBPRGKRZSA-N	0	0	196.265	3.223	10	0		AGAERN
CCCCC[C@@](C)(O)[C@H](C)CC	83503582	572326830	/nfs/dbraw/zinc/32/68/30/572326830.db2.gz	HXUBWRDFKJVKBB-GHMZBOCLSA-N	0	0	172.312	3.364	10	0		AGAERN
CCCC[C@H](O)c1ccc(CC)o1	83505232	572326842	/nfs/dbraw/zinc/32/68/42/572326842.db2.gz	DPCCSTCXHISDHI-JTQLQIEISA-N	0	0	182.263	3.066	10	0		AGAERN
CCCCC[C@@](C)(O)[C@@H](C)CC	83503580	572326845	/nfs/dbraw/zinc/32/68/45/572326845.db2.gz	HXUBWRDFKJVKBB-WDEREUQCSA-N	0	0	172.312	3.364	10	0		AGAERN
CCCC/C=C\[C@H](O)[C@H](C)CC	307975931	572327237	/nfs/dbraw/zinc/32/72/37/572327237.db2.gz	HEQSJHSQVVTVIX-XJMUJKMXSA-N	0	0	170.296	3.140	10	0		AGAERN
CCCC[C@@](C)(O)c1ccc(F)cc1	83502963	572326851	/nfs/dbraw/zinc/32/68/51/572326851.db2.gz	SUVSPFLMQVVURA-GFCCVEGCSA-N	0	0	196.265	3.223	10	0		AGAERN
C/C=C(\CCO)CCC=C(C)C	307975875	572326854	/nfs/dbraw/zinc/32/68/54/572326854.db2.gz	GTFFDXXUNPEPSU-WCIBSUBMSA-N	0	0	168.280	3.062	10	0		AGAERN
CCCCCC[C@](C)(O)C1CC1	83503410	572326866	/nfs/dbraw/zinc/32/68/66/572326866.db2.gz	ANYYVMYKMGEPKD-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
CCCC[C@](C)(O)c1ccccc1C	83502936	572326880	/nfs/dbraw/zinc/32/68/80/572326880.db2.gz	NWERIBNJESNNMK-ZDUSSCGKSA-N	0	0	192.302	3.393	10	0		AGAERN
CCC(CC)[C@@H](O)C[C@@H](C)CC	83504935	572326890	/nfs/dbraw/zinc/32/68/90/572326890.db2.gz	GFBPOCRZFRMGHF-ONGXEEELSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCC[C@](C)(O)c1ccc(C)cc1	83502910	572326899	/nfs/dbraw/zinc/32/68/99/572326899.db2.gz	BQQKBKPJTBNUIQ-ZDUSSCGKSA-N	0	0	192.302	3.393	10	0		AGAERN
CC[C@H](C)C[C@@](C)(O)[C@@H](C)CC	83503678	572326900	/nfs/dbraw/zinc/32/69/00/572326900.db2.gz	NAVKYPOAXFGXAK-GARJFASQSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@H](C)CC1(O)CCCC1	83502801	572326906	/nfs/dbraw/zinc/32/69/06/572326906.db2.gz	HZAPEQSAWDFOLH-JTQLQIEISA-N	0	0	170.296	3.118	10	0		AGAERN
CC(C)CC[C@](C)(O)c1cccs1	83504188	572326916	/nfs/dbraw/zinc/32/69/16/572326916.db2.gz	XPZAJOANUKXJPV-NSHDSACASA-N	0	0	198.331	3.392	10	0		AGAERN
CCC[C@H](C)C[C@](C)(O)C(C)C	83503391	572326935	/nfs/dbraw/zinc/32/69/35/572326935.db2.gz	JXWJCCBBQVYRBV-QWRGUYRKSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCCC[C@](C)(O)C(C)C	83503352	572326992	/nfs/dbraw/zinc/32/69/92/572326992.db2.gz	GVPQWMOGDQUZJS-NSHDSACASA-N	0	0	172.312	3.364	10	0		AGAERN
CC[C@H](C)C[C@H](O)c1ccc(C)o1	83504573	572327006	/nfs/dbraw/zinc/32/70/06/572327006.db2.gz	WRIBUEBHUKRQQM-WPRPVWTQSA-N	0	0	182.263	3.058	10	0		AGAERN
CCC(CC)[C@@H](O)CCC(C)C	83504921	572327010	/nfs/dbraw/zinc/32/70/10/572327010.db2.gz	VIACQWWXFXEYNX-NSHDSACASA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@@H](C)C[C@H](O)c1ccc(C)o1	83504578	572327018	/nfs/dbraw/zinc/32/70/18/572327018.db2.gz	DOKLSZQMQDJDFR-KOLCDFICSA-N	0	0	196.290	3.448	10	0		AGAERN
CCC(CC)[C@H](O)C[C@@H](C)CC	83504937	572327026	/nfs/dbraw/zinc/32/70/26/572327026.db2.gz	GFBPOCRZFRMGHF-GXSJLCMTSA-N	0	0	172.312	3.220	10	0		AGAERN
CCc1ccc([C@H](O)C[C@H](C)CC)o1	83505264	572327031	/nfs/dbraw/zinc/32/70/31/572327031.db2.gz	DMZZJVLZXAEDNE-MWLCHTKSSA-N	0	0	196.290	3.312	10	0		AGAERN
CC[C@@H](C)C[C@](O)(CC)C(C)C	83503753	572327060	/nfs/dbraw/zinc/32/70/60/572327060.db2.gz	AHLNXVVVEFFSCC-GHMZBOCLSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCC[C@H](O)[C@H]1CC=CCC1	83505602	572327077	/nfs/dbraw/zinc/32/70/77/572327077.db2.gz	DUHHBTQQURABOU-RYUDHWBXSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)CC[C@@](C)(O)c1cccs1	83504189	572327079	/nfs/dbraw/zinc/32/70/79/572327079.db2.gz	XPZAJOANUKXJPV-LLVKDONJSA-N	0	0	198.331	3.392	10	0		AGAERN
CCCCC[C@H](O)c1ccc(CC)o1	83505234	572327096	/nfs/dbraw/zinc/32/70/96/572327096.db2.gz	VNISZMWEMLLSCI-NSHDSACASA-N	0	0	196.290	3.456	10	0		AGAERN
CC(C)[C@@](C)(O)CCC(C)(C)C	83503349	572327102	/nfs/dbraw/zinc/32/71/02/572327102.db2.gz	URJYMXGXRGUFEU-NSHDSACASA-N	0	0	172.312	3.220	10	0		AGAERN
CCCC[C@](C)(O)c1sccc1C	83506044	572327113	/nfs/dbraw/zinc/32/71/13/572327113.db2.gz	ZMIAJGOSVYUAME-NSHDSACASA-N	0	0	198.331	3.454	10	0		AGAERN
CCCC[C@@](C)(O)c1ccccc1C	83502937	572327133	/nfs/dbraw/zinc/32/71/33/572327133.db2.gz	NWERIBNJESNNMK-CYBMUJFWSA-N	0	0	192.302	3.393	10	0		AGAERN
CC[C@@H](C)[C@](C)(O)Cc1ccsc1	83503643	572327136	/nfs/dbraw/zinc/32/71/36/572327136.db2.gz	FMALYDKVRZXZPJ-MWLCHTKSSA-N	0	0	198.331	3.088	10	0		AGAERN
CC[C@H](C)[C@@](C)(O)CC1CCCC1	83503674	572327152	/nfs/dbraw/zinc/32/71/52/572327152.db2.gz	AHAHEVISULSGLK-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)C[C@@](O)(CC)C(C)C	83503752	572327256	/nfs/dbraw/zinc/32/72/56/572327256.db2.gz	AHLNXVVVEFFSCC-QWRGUYRKSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCC[C@H](O)CCc1cccs1	83505712	572327452	/nfs/dbraw/zinc/32/74/52/572327452.db2.gz	RLKJOONINPLNBU-JTQLQIEISA-N	0	0	198.331	3.232	10	0		AGAERN
CC[C@H](C)C[C@@](C)(O)c1ccccc1	83502901	572327535	/nfs/dbraw/zinc/32/75/35/572327535.db2.gz	PVXILSHWDIDATE-WCQYABFASA-N	0	0	192.302	3.330	10	0		AGAERN
CCCCCCC1(O)CCCC1	83502773	572327540	/nfs/dbraw/zinc/32/75/40/572327540.db2.gz	KRQIXUBSCULVKL-UHFFFAOYSA-N	0	0	170.296	3.262	10	0		AGAERN
CCC[C@H](C)[C@@H](O)C[C@@H](C)CC	83505971	572327541	/nfs/dbraw/zinc/32/75/41/572327541.db2.gz	TYROOYGJZURWAM-DCAQKATOSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@@H](C)C[C@](C)(O)c1cccs1	83504194	572327550	/nfs/dbraw/zinc/32/75/50/572327550.db2.gz	SPAFJKXTYVJSEP-KOLCDFICSA-N	0	0	198.331	3.392	10	0		AGAERN
CCCCCCSC[C@@H](O)CC	238197859	572327556	/nfs/dbraw/zinc/32/75/56/572327556.db2.gz	BHJVOKKYJFZMKU-JTQLQIEISA-N	0	0	190.352	3.071	10	0		AGAERN
CC[C@@](O)(CCC(C)C)C(C)C	83503737	572327567	/nfs/dbraw/zinc/32/75/67/572327567.db2.gz	GOXKIXIVVGWCIS-LLVKDONJSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@H](C)CC(O)(CC)CC	83503341	572327574	/nfs/dbraw/zinc/32/75/74/572327574.db2.gz	KRPKWTUJBLMFAG-JTQLQIEISA-N	0	0	172.312	3.364	10	0		AGAERN
CC[C@](O)(CC1CCCC1)C(C)C	83503750	572327577	/nfs/dbraw/zinc/32/75/77/572327577.db2.gz	KJRWDKMZEMEFAL-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@@](C)(O)c1sccc1C	83506045	572327582	/nfs/dbraw/zinc/32/75/82/572327582.db2.gz	ZMIAJGOSVYUAME-LLVKDONJSA-N	0	0	198.331	3.454	10	0		AGAERN
CCCC[C@H](O)C[C@H](C)CCC	83505728	572327583	/nfs/dbraw/zinc/32/75/83/572327583.db2.gz	VYRILEVMENROPJ-MNOVXSKESA-N	0	0	172.312	3.364	10	0		AGAERN
CCC(CC/C(C)=C/CO)=C(C)C	238197611	572327594	/nfs/dbraw/zinc/32/75/94/572327594.db2.gz	IMLSJGQVFBCFPS-DHZHZOJOSA-N	0	0	182.307	3.452	10	0		AGAERN
CC[C@](O)(Cc1ccsc1)C(C)C	83503736	572327604	/nfs/dbraw/zinc/32/76/04/572327604.db2.gz	HMOOMFNYFJGUHT-NSHDSACASA-N	0	0	198.331	3.088	10	0		AGAERN
CCCC[C@@H](O)C[C@H](C)CCC	83505729	572327619	/nfs/dbraw/zinc/32/76/19/572327619.db2.gz	VYRILEVMENROPJ-GHMZBOCLSA-N	0	0	172.312	3.364	10	0		AGAERN
CCCC[C@H](O)C[C@@H](C)CCC	83505726	572327644	/nfs/dbraw/zinc/32/76/44/572327644.db2.gz	VYRILEVMENROPJ-QWRGUYRKSA-N	0	0	172.312	3.364	10	0		AGAERN
CC[C@H](C)[C@](C)(O)CCC(C)C	83503648	572327653	/nfs/dbraw/zinc/32/76/53/572327653.db2.gz	OJIGLRBDEPMATG-WDEREUQCSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC(CC)[C@H](O)CCC(C)C	83504920	572327663	/nfs/dbraw/zinc/32/76/63/572327663.db2.gz	VIACQWWXFXEYNX-LLVKDONJSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@H](C)C[C@](C)(O)c1ccccc1	83502899	572327722	/nfs/dbraw/zinc/32/77/22/572327722.db2.gz	PVXILSHWDIDATE-AAEUAGOBSA-N	0	0	192.302	3.330	10	0		AGAERN
CCCC[C@](C)(O)c1cccs1	83504162	572327739	/nfs/dbraw/zinc/32/77/39/572327739.db2.gz	XUOLIUGOZWJYMQ-JTQLQIEISA-N	0	0	184.304	3.146	10	0		AGAERN
CCCCCC[C@@H](O)CCSC	83505749	572327750	/nfs/dbraw/zinc/32/77/50/572327750.db2.gz	PLFAJBFQJRVLEV-SNVBAGLBSA-N	0	0	190.352	3.071	10	0		AGAERN
CC[C@@H](C)C[C@](C)(O)c1ccccc1	83502898	572327754	/nfs/dbraw/zinc/32/77/54/572327754.db2.gz	PVXILSHWDIDATE-YPMHNXCESA-N	0	0	192.302	3.330	10	0		AGAERN
CCc1ccc([C@H](O)CCC(C)C)o1	83505256	572327774	/nfs/dbraw/zinc/32/77/74/572327774.db2.gz	RRZDOLKIAQFOMM-LLVKDONJSA-N	0	0	196.290	3.312	10	0		AGAERN
CCC(CC)c1cccc(C=O)c1O	238194158	572327802	/nfs/dbraw/zinc/32/78/02/572327802.db2.gz	ATXXWCFMYSCELE-UHFFFAOYSA-N	0	0	192.258	3.108	10	0		AGAERN
CCCc1cc2cc(F)ccc2[nH]1	59871675	572327848	/nfs/dbraw/zinc/32/78/48/572327848.db2.gz	LZSWBFHLSQEGNZ-UHFFFAOYSA-N	0	0	177.222	3.260	10	0		AGAERN
CCCCC[C@@]1(O)CC[C@@H](C)C1	83506774	572327872	/nfs/dbraw/zinc/32/78/72/572327872.db2.gz	YBOHPMRWCOBUMW-GHMZBOCLSA-N	0	0	170.296	3.118	10	0		AGAERN
CC[C@](O)(CCC(C)(C)C)C1CC1	83507416	572327899	/nfs/dbraw/zinc/32/78/99/572327899.db2.gz	DFSMLZYKQGKJEM-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCCCCC(C)=C=CCO	238197858	572327917	/nfs/dbraw/zinc/32/79/17/572327917.db2.gz	YDHGUUXFONOUPQ-UHFFFAOYSA-N	0	0	168.280	3.051	10	0		AGAERN
CCCCC[C@@]1(O)CCC[C@@H]1C	83507528	572327970	/nfs/dbraw/zinc/32/79/70/572327970.db2.gz	KVCGPIZOVWOKPZ-WDEREUQCSA-N	0	0	170.296	3.118	10	0		AGAERN
CCC[C@H](C)C[C@@]1(O)CC[C@H](C)C1	83506886	572328083	/nfs/dbraw/zinc/32/80/83/572328083.db2.gz	ORKJCPHCCGRTQD-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@](O)(CC1CCCC1)C1CC1	83507455	572328088	/nfs/dbraw/zinc/32/80/88/572328088.db2.gz	ONGGDUGUCIZBCD-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
CCC[C@@H](C)C[C@@](O)(CC)C1CC1	83507467	572328098	/nfs/dbraw/zinc/32/80/98/572328098.db2.gz	RTDFTUHLVLKFBU-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC/C=C/[C@H](O)[C@H](C)CC	238193801	572328195	/nfs/dbraw/zinc/32/81/95/572328195.db2.gz	HEQSJHSQVVTVIX-OJLMFNQTSA-N	0	0	170.296	3.140	10	0		AGAERN
CCCCCCC(C)(C)CCC(N)=O	238197659	572328197	/nfs/dbraw/zinc/32/81/97/572328197.db2.gz	HWCYVBQYQMFGBN-UHFFFAOYSA-N	0	0	199.338	3.249	10	0		AGAERN
CC(C)S[C@H]1CCCCCC1=O	196327728	572328219	/nfs/dbraw/zinc/32/82/19/572328219.db2.gz	YIUHTPYAUPFMRF-JTQLQIEISA-N	0	0	186.320	3.030	10	0		AGAERN
CCCCC[C@@]1(O)CCC[C@H]1C	83507530	572328371	/nfs/dbraw/zinc/32/83/71/572328371.db2.gz	KVCGPIZOVWOKPZ-GHMZBOCLSA-N	0	0	170.296	3.118	10	0		AGAERN
CCCCCCC1=C[C@@H](O)CC1	83549060	572328383	/nfs/dbraw/zinc/32/83/83/572328383.db2.gz	ODAWQSSKSNJORX-NSHDSACASA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@H](C)C[C@]1(O)CC[C@H](CC)C1	83506962	572328395	/nfs/dbraw/zinc/32/83/95/572328395.db2.gz	NXQMBKCBVVFUAK-SDDRHHMPSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(C)(C)[C@](C)(CC)C(C)=O	238195446	572328445	/nfs/dbraw/zinc/32/84/45/572328445.db2.gz	OMHZZNVTXCMPJJ-LLVKDONJSA-N	0	0	170.296	3.428	10	0		AGAERN
CCCCC[C@]1(O)CCC[C@H]1C	83507529	572328771	/nfs/dbraw/zinc/32/87/71/572328771.db2.gz	KVCGPIZOVWOKPZ-MNOVXSKESA-N	0	0	170.296	3.118	10	0		AGAERN
CCCCC[C@@](O)(CC)C1CC1	83507409	572328831	/nfs/dbraw/zinc/32/88/31/572328831.db2.gz	FCQNEOQHPVXFAX-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
CCCCCC1=C[C@H](O)CCC1	83545653	572328892	/nfs/dbraw/zinc/32/88/92/572328892.db2.gz	WNELHZIJSHNLIR-LLVKDONJSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@@H]1CC[C@@](O)(CCC(C)C)C1	83506949	572328899	/nfs/dbraw/zinc/32/88/99/572328899.db2.gz	OOJUCNCRUYYYFI-NEPJUHHUSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@]1(O)CC[C@@H](CC)C1	83506897	572328968	/nfs/dbraw/zinc/32/89/68/572328968.db2.gz	LRNJYHOQYKDIMW-MNOVXSKESA-N	0	0	170.296	3.118	10	0		AGAERN
CC[C@@H]1C(=O)c2ccccc2[C@H]1CC	196348467	572328989	/nfs/dbraw/zinc/32/89/89/572328989.db2.gz	NFXZJGQCRWFSJQ-UWVGGRQHSA-N	0	0	188.270	3.403	10	0		AGAERN
CCCCC[C@]1(O)CC[C@@H](C)C1	83506773	572328993	/nfs/dbraw/zinc/32/89/93/572328993.db2.gz	YBOHPMRWCOBUMW-MNOVXSKESA-N	0	0	170.296	3.118	10	0		AGAERN
CCCCCCC1=C[C@H](O)CCC1	83545822	572329012	/nfs/dbraw/zinc/32/90/12/572329012.db2.gz	KCEDKGWGNNITRB-GFCCVEGCSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H]1C(=O)c2ccccc2[C@@H]1CC	196348460	572329021	/nfs/dbraw/zinc/32/90/21/572329021.db2.gz	NFXZJGQCRWFSJQ-NXEZZACHSA-N	0	0	188.270	3.403	10	0		AGAERN
CCC[C@@H](C)C[C@](O)(CC)C1CC1	83507469	572329039	/nfs/dbraw/zinc/32/90/39/572329039.db2.gz	RTDFTUHLVLKFBU-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
O=C1CC[C@@H](c2ccc3[nH]ccc3c2)C1	238624910	572329057	/nfs/dbraw/zinc/32/90/57/572329057.db2.gz	HDVFJUBSOUROSO-SNVBAGLBSA-N	0	0	199.253	3.005	10	0		AGAERN
CCC[C@H](C)C[C@@](O)(CC)C1CC1	83507468	572329135	/nfs/dbraw/zinc/32/91/35/572329135.db2.gz	RTDFTUHLVLKFBU-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H]1CC[C@@](O)(CCC(C)C)C1	83506950	572329297	/nfs/dbraw/zinc/32/92/97/572329297.db2.gz	OOJUCNCRUYYYFI-RYUDHWBXSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCCCC[C@@H](C)C(C)(C)C(N)=O	238198756	572329375	/nfs/dbraw/zinc/32/93/75/572329375.db2.gz	CUJSONAXXBZHNH-SNVBAGLBSA-N	0	0	199.338	3.104	10	0		AGAERN
CC[C@H](C)C[C@]1(O)CC[C@@H](CC)C1	83506961	572329467	/nfs/dbraw/zinc/32/94/67/572329467.db2.gz	NXQMBKCBVVFUAK-QJPTWQEYSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@@]1(O)CC[C@@H](CC)C1	83506898	572329482	/nfs/dbraw/zinc/32/94/82/572329482.db2.gz	LRNJYHOQYKDIMW-GHMZBOCLSA-N	0	0	170.296	3.118	10	0		AGAERN
CCC[C@@H](C)CC1=C[C@H](O)CCC1	83545374	572329545	/nfs/dbraw/zinc/32/95/45/572329545.db2.gz	IXDCCDUSZWDCNM-ZYHUDNBSSA-N	0	0	182.307	3.284	10	0		AGAERN
CCC[C@H](C)C[C@](O)(CC)C1CC1	83507470	572329551	/nfs/dbraw/zinc/32/95/51/572329551.db2.gz	RTDFTUHLVLKFBU-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
Nc1cc(Cl)cc(C2CCC2)c1	60019409	572329987	/nfs/dbraw/zinc/32/99/87/572329987.db2.gz	IIYOXRBHINTHQE-UHFFFAOYSA-N	0	0	181.666	3.190	10	0		AGAERN
CC[C@H](C)C[C@@]1(O)CC[C@H](CC)C1	83506960	572329614	/nfs/dbraw/zinc/32/96/14/572329614.db2.gz	NXQMBKCBVVFUAK-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H]1CC[C@](O)(CCC(C)C)C1	83506947	572329643	/nfs/dbraw/zinc/32/96/43/572329643.db2.gz	OOJUCNCRUYYYFI-VXGBXAGGSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@H](C)CC1=C[C@H](O)CCC1	83545375	572329659	/nfs/dbraw/zinc/32/96/59/572329659.db2.gz	IXDCCDUSZWDCNM-CMPLNLGQSA-N	0	0	182.307	3.284	10	0		AGAERN
CC/C=C(\CC)C[C@@H](C)CCO	307979414	572330912	/nfs/dbraw/zinc/33/09/12/572330912.db2.gz	MLCPDVQDMJFZHI-OTXQMUPVSA-N	0	0	170.296	3.141	10	0		AGAERN
CC[C@@](O)(CCC(C)(C)C)C1CC1	83507415	572329727	/nfs/dbraw/zinc/32/97/27/572329727.db2.gz	DFSMLZYKQGKJEM-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
O=C1CC[C@H](c2cccc3[nH]ccc23)C1	238628972	572329742	/nfs/dbraw/zinc/32/97/42/572329742.db2.gz	MWMLYOVIZIMTAG-VIFPVBQESA-N	0	0	199.253	3.005	10	0		AGAERN
CCCCCCC1=C[C@@H](O)CCC1	83545824	572329767	/nfs/dbraw/zinc/32/97/67/572329767.db2.gz	KCEDKGWGNNITRB-LBPRGKRZSA-N	0	0	182.307	3.428	10	0		AGAERN
CCCCCCC1=C[C@H](O)CC1	83549058	572329775	/nfs/dbraw/zinc/32/97/75/572329775.db2.gz	ODAWQSSKSNJORX-LLVKDONJSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCCC[C@]1(O)CCC[C@@H]1C	83507527	572329784	/nfs/dbraw/zinc/32/97/84/572329784.db2.gz	KVCGPIZOVWOKPZ-QWRGUYRKSA-N	0	0	170.296	3.118	10	0		AGAERN
O=C1[C@H]2CCCC[C@@H]2C12CCCCC2	196379371	572329786	/nfs/dbraw/zinc/32/97/86/572329786.db2.gz	UXPYAAVCPLBAMR-QWRGUYRKSA-N	0	0	192.302	3.326	10	0		AGAERN
CCC(CC)(CC)C(=O)C(C)C	238204518	572329830	/nfs/dbraw/zinc/32/98/30/572329830.db2.gz	SZKHKKCQWQJBMU-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
CCC/C=C(/CCC)[C@H](O)CC	238212720	572335471	/nfs/dbraw/zinc/33/54/71/572335471.db2.gz	AHDCIHWUCORUHX-DWOQACPDSA-N	0	0	170.296	3.284	10	0		AGAERN
O=C1CC[C@H](c2ccc3cc[nH]c3c2)C1	238629221	572330029	/nfs/dbraw/zinc/33/00/29/572330029.db2.gz	KIIQWBNAEFEVET-JTQLQIEISA-N	0	0	199.253	3.005	10	0		AGAERN
CCCC[C@@]1(O)CC[C@H](CC)C1	83506896	572330098	/nfs/dbraw/zinc/33/00/98/572330098.db2.gz	LRNJYHOQYKDIMW-WDEREUQCSA-N	0	0	170.296	3.118	10	0		AGAERN
CCC[C@H](C)CC1=C[C@@H](O)CCC1	83545378	572330131	/nfs/dbraw/zinc/33/01/31/572330131.db2.gz	IXDCCDUSZWDCNM-JQWIXIFHSA-N	0	0	182.307	3.284	10	0		AGAERN
Nc1ccc2c(c1)CC/C2=C\CC1CC1	86883431	572330190	/nfs/dbraw/zinc/33/01/90/572330190.db2.gz	KCJQUWGGKBRXAP-NYYWCZLTSA-N	0	0	199.297	3.399	10	0		AGAERN
Nc1ccc2c(c1)CC/C2=C\C1CCC1	86883423	572330209	/nfs/dbraw/zinc/33/02/09/572330209.db2.gz	NQRZYSJEFWUJES-DHZHZOJOSA-N	0	0	199.297	3.399	10	0		AGAERN
O=C1CC[C@@H](c2ccc3cc[nH]c3c2)C1	238624986	572330213	/nfs/dbraw/zinc/33/02/13/572330213.db2.gz	KIIQWBNAEFEVET-SNVBAGLBSA-N	0	0	199.253	3.005	10	0		AGAERN
CCCCCC1=C[C@@H](O)CCC1	83545656	572330310	/nfs/dbraw/zinc/33/03/10/572330310.db2.gz	WNELHZIJSHNLIR-NSHDSACASA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@H]1CC[C@](O)(CCC(C)C)C1	83506948	572330348	/nfs/dbraw/zinc/33/03/48/572330348.db2.gz	OOJUCNCRUYYYFI-NWDGAFQWSA-N	0	0	184.323	3.364	10	0		AGAERN
O=C1CC[C@H](c2cccc3cc[nH]c23)C1	238629019	572330395	/nfs/dbraw/zinc/33/03/95/572330395.db2.gz	GSCZGDUNSBPQOK-JTQLQIEISA-N	0	0	199.253	3.005	10	0		AGAERN
CCCCC/C=C(\C)C[C@@H](C)O	307979427	572330430	/nfs/dbraw/zinc/33/04/30/572330430.db2.gz	MMGOUYFHPHGKNP-RJCSOLBVSA-N	0	0	170.296	3.284	10	0		AGAERN
CCCCCC[C@@H](C)SCCO	238203226	572330490	/nfs/dbraw/zinc/33/04/90/572330490.db2.gz	BMTJAMHMYOADDY-SNVBAGLBSA-N	0	0	190.352	3.071	10	0		AGAERN
CCC[C@@H](C)CC1=C[C@@H](O)CCC1	83545377	572330506	/nfs/dbraw/zinc/33/05/06/572330506.db2.gz	IXDCCDUSZWDCNM-PWSUYJOCSA-N	0	0	182.307	3.284	10	0		AGAERN
CCC[C@H](C)C[C@]1(O)CC[C@H](C)C1	83506884	572330701	/nfs/dbraw/zinc/33/07/01/572330701.db2.gz	ORKJCPHCCGRTQD-SDDRHHMPSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@]1(O)CC[C@H](CC)C1	83506895	572330727	/nfs/dbraw/zinc/33/07/27/572330727.db2.gz	LRNJYHOQYKDIMW-QWRGUYRKSA-N	0	0	170.296	3.118	10	0		AGAERN
CCCCC/C=C(\C)C[C@H](C)O	307979428	572330886	/nfs/dbraw/zinc/33/08/86/572330886.db2.gz	MMGOUYFHPHGKNP-UQSGXBNBSA-N	0	0	170.296	3.284	10	0		AGAERN
CCCCC[C@](O)(CC)C1CC1	83507410	572330927	/nfs/dbraw/zinc/33/09/27/572330927.db2.gz	FCQNEOQHPVXFAX-LLVKDONJSA-N	0	0	170.296	3.118	10	0		AGAERN
CC[C@H](C)C[C@@]1(O)CC[C@@H](CC)C1	83506959	572330992	/nfs/dbraw/zinc/33/09/92/572330992.db2.gz	NXQMBKCBVVFUAK-TUAOUCFPSA-N	0	0	184.323	3.364	10	0		AGAERN
O=C1CC[C@H](c2ccc3[nH]ccc3c2)C1	238629168	572331038	/nfs/dbraw/zinc/33/10/38/572331038.db2.gz	HDVFJUBSOUROSO-JTQLQIEISA-N	0	0	199.253	3.005	10	0		AGAERN
C1=CC[C@H](n2ccc3cccnc32)CC1	116937330	572331078	/nfs/dbraw/zinc/33/10/78/572331078.db2.gz	MXKXIWBXWDGUCS-LBPRGKRZSA-N	0	0	198.269	3.318	10	0		AGAERN
CC/C=C(\CC)C[C@H](C)CCO	307979415	572331403	/nfs/dbraw/zinc/33/14/03/572331403.db2.gz	MLCPDVQDMJFZHI-VUUNSECVSA-N	0	0	170.296	3.141	10	0		AGAERN
O=C1CC[C@@H](c2cccc3cc[nH]c23)C1	238624719	572333107	/nfs/dbraw/zinc/33/31/07/572333107.db2.gz	GSCZGDUNSBPQOK-SNVBAGLBSA-N	0	0	199.253	3.005	10	0		AGAERN
CC/C=C1/C=C(C)CCC1	205819831	572331981	/nfs/dbraw/zinc/33/19/81/572331981.db2.gz	GEOCAEPPXZXYLX-BJMVGYQFSA-N	0	0	136.238	3.453	10	0		AGAERN
CCC(CC)(C(C)=O)C(C)(C)C	238202239	572332059	/nfs/dbraw/zinc/33/20/59/572332059.db2.gz	XUGCAVCEBUHTOR-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
CCC(=O)C1CCC(CC)CC1	59975386	572333172	/nfs/dbraw/zinc/33/31/72/572333172.db2.gz	ANNPSKVKFIHDQP-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
OCC=C=Cc1ccc2ccccc2c1	238633431	572332339	/nfs/dbraw/zinc/33/23/39/572332339.db2.gz	MZTWHOWPKKVESJ-UHFFFAOYSA-N	0	0	196.249	3.000	10	0		AGAERN
O=C(CCC=C1CCCC1)C1CC1	238631944	572332501	/nfs/dbraw/zinc/33/25/01/572332501.db2.gz	ZPSFJEQTNQCVNS-UHFFFAOYSA-N	0	0	178.275	3.246	10	0		AGAERN
Nc1cc2c(c3ccccc13)CCCC2	238623618	572332541	/nfs/dbraw/zinc/33/25/41/572332541.db2.gz	HSLCECIYUPTIJX-UHFFFAOYSA-N	0	0	197.281	3.301	10	0		AGAERN
C=C/C=C/CCC(=O)c1ccsc1	713681475	572333482	/nfs/dbraw/zinc/33/34/82/572333482.db2.gz	FIBNKRNIWIMIIT-ONEGZZNKSA-N	0	0	192.283	3.453	10	0		AGAERN
C=C/C=C\CCC(=O)c1ccsc1	713681470	572333812	/nfs/dbraw/zinc/33/38/12/572333812.db2.gz	FIBNKRNIWIMIIT-ARJAWSKDSA-N	0	0	192.283	3.453	10	0		AGAERN
CCCCCNc1cc(F)ccc1N	52119175	572333842	/nfs/dbraw/zinc/33/38/42/572333842.db2.gz	OFQFZGWENZUKCK-UHFFFAOYSA-N	0	0	196.269	3.010	10	0		AGAERN
CCCCCC[C@H](C=C(F)F)CO	238205967	572333876	/nfs/dbraw/zinc/33/38/76/572333876.db2.gz	SXDJRNZWMBBSND-SECBINFHSA-N	0	0	192.249	3.346	10	0		AGAERN
O=C1CC[C@@H](c2cccc3[nH]ccc23)C1	238624648	572334775	/nfs/dbraw/zinc/33/47/75/572334775.db2.gz	MWMLYOVIZIMTAG-SECBINFHSA-N	0	0	199.253	3.005	10	0		AGAERN
CC(C)[C@@H](C)/C=C/CCCCCO	238205831	572334986	/nfs/dbraw/zinc/33/49/86/572334986.db2.gz	XSWPVELFMOAQHD-CRALRDPISA-N	0	0	184.323	3.387	10	0		AGAERN
OC/C=C/CC/C=C/c1ccccc1	238630744	572335053	/nfs/dbraw/zinc/33/50/53/572335053.db2.gz	FXWXLNXTLHAHTO-RWQQVSAMSA-N	0	0	188.270	3.029	10	0		AGAERN
CCCCCC[C@H](/C=C/F)CO	238206757	572335423	/nfs/dbraw/zinc/33/54/23/572335423.db2.gz	NTFDCJKJXHSHSH-QROSGCPLSA-N	0	0	174.259	3.049	10	0		AGAERN
C/C=C(/CC)[C@H](O)C/C=C\CC	307981733	572335711	/nfs/dbraw/zinc/33/57/11/572335711.db2.gz	OUEUBWGCHYFCLQ-LPMUNTLISA-N	0	0	168.280	3.060	10	0		AGAERN
CCCCNc1ccc(C=O)cc1C	238208575	572335881	/nfs/dbraw/zinc/33/58/81/572335881.db2.gz	WGDNXWSABAIEAQ-UHFFFAOYSA-N	0	0	191.274	3.020	10	0		AGAERN
CC(C)SC(=O)C1CCCCC1	196595243	572335888	/nfs/dbraw/zinc/33/58/88/572335888.db2.gz	GWWRBPWGBSBTSQ-UHFFFAOYSA-N	0	0	186.320	3.235	10	0		AGAERN
CCCCC[C@@H](CCC)[C@H](C)O	238208899	572336067	/nfs/dbraw/zinc/33/60/67/572336067.db2.gz	IOTITSQULJYFAP-WDEREUQCSA-N	0	0	172.312	3.364	10	0		AGAERN
CCCCC[C@@H](CCO)C(C)C	238209255	572336257	/nfs/dbraw/zinc/33/62/57/572336257.db2.gz	JTKCYTNMHINDNP-NSHDSACASA-N	0	0	172.312	3.221	10	0		AGAERN
C[C@@H]1CCC[C@@H]([C@H](O)C(C)(C)C)C1	52231799	572336264	/nfs/dbraw/zinc/33/62/64/572336264.db2.gz	VOUCKPFBHIAHEO-MXWKQRLJSA-N	0	0	184.323	3.220	10	0		AGAERN
CC/C(C)=C(/CCO)c1ccccc1	238209283	572336288	/nfs/dbraw/zinc/33/62/88/572336288.db2.gz	FJXKXOVCRUBHBR-QBFSEMIESA-N	0	0	190.286	3.253	10	0		AGAERN
C=C/C(=C\CCC)CCCCCO	238212743	572336359	/nfs/dbraw/zinc/33/63/59/572336359.db2.gz	HOOWKKOFRMNVQG-FMIVXFBMSA-N	0	0	182.307	3.452	10	0		AGAERN
C[C@@]12CCCC[C@@H]1Oc1ccccc12	196590674	572336391	/nfs/dbraw/zinc/33/63/91/572336391.db2.gz	RIKRLWCGJPOPSV-STQMWFEESA-N	0	0	188.270	3.279	10	0		AGAERN
C=C=C(C)[C@@H](O)[C@@H](CC)CCCC	238208739	572336927	/nfs/dbraw/zinc/33/69/27/572336927.db2.gz	UFUWZQAXBXQGTQ-NWDGAFQWSA-N	0	0	182.307	3.295	10	0		AGAERN
CCc1ccc(C(C)C)c(O)c1	60132503	572336626	/nfs/dbraw/zinc/33/66/26/572336626.db2.gz	PXNNOCWWPXGOFZ-UHFFFAOYSA-N	0	0	164.248	3.078	10	0		AGAERN
Cc1cc2ccsc2cc1F	60138139	572336689	/nfs/dbraw/zinc/33/66/89/572336689.db2.gz	FFOODFGCKHAOHQ-UHFFFAOYSA-N	0	0	166.220	3.349	10	0		AGAERN
CC/C(C)=C(/CC)C/C=C(/C)CO	238209221	572336726	/nfs/dbraw/zinc/33/67/26/572336726.db2.gz	LZGAOTKIQJDHQK-NEFYYVMFSA-N	0	0	182.307	3.452	10	0		AGAERN
Cc1cc([C@@H](O)C(C)(C)C)ccc1F	52231748	572337081	/nfs/dbraw/zinc/33/70/81/572337081.db2.gz	WLXVWVVGCGERMD-LLVKDONJSA-N	0	0	196.265	3.214	10	0		AGAERN
CCCC=C=CCCCCCO	238212907	572339120	/nfs/dbraw/zinc/33/91/20/572339120.db2.gz	IUFBRXIVVZUOPS-UHFFFAOYSA-N	0	0	168.280	3.051	10	0		AGAERN
C/C=C(/CC)[C@H](O)C/C=C/CC	307981732	572337467	/nfs/dbraw/zinc/33/74/67/572337467.db2.gz	OUEUBWGCHYFCLQ-BJBURLMWSA-N	0	0	168.280	3.060	10	0		AGAERN
CC/C(C)=C(/CC)C/C=C/CO	238209244	572337478	/nfs/dbraw/zinc/33/74/78/572337478.db2.gz	HWEUJLYWHZCGMH-WFKFFMJQSA-N	0	0	168.280	3.062	10	0		AGAERN
Cc1cc([C@H](O)C(C)(C)C)ccc1F	52231745	572337500	/nfs/dbraw/zinc/33/75/00/572337500.db2.gz	WLXVWVVGCGERMD-NSHDSACASA-N	0	0	196.265	3.214	10	0		AGAERN
CCC/C(C)=C\CCC[C@H](C)O	307983052	572339128	/nfs/dbraw/zinc/33/91/28/572339128.db2.gz	QEJGQEBLRITEHO-IEHMKBBKSA-N	0	0	170.296	3.284	10	0		AGAERN
C=C=C(C)[C@H](O)[C@H](CC)CCCC	238208845	572337625	/nfs/dbraw/zinc/33/76/25/572337625.db2.gz	UFUWZQAXBXQGTQ-NEPJUHHUSA-N	0	0	182.307	3.295	10	0		AGAERN
CCCCC[C@@H](CCC)[C@@H](C)O	238208868	572337988	/nfs/dbraw/zinc/33/79/88/572337988.db2.gz	IOTITSQULJYFAP-GHMZBOCLSA-N	0	0	172.312	3.364	10	0		AGAERN
C/C=C(\CC)[C@H](O)C/C=C\CC	307981734	572338156	/nfs/dbraw/zinc/33/81/56/572338156.db2.gz	OUEUBWGCHYFCLQ-WBVNFZMESA-N	0	0	168.280	3.060	10	0		AGAERN
Nc1ccccc1Nc1cccs1	196588348	572338172	/nfs/dbraw/zinc/33/81/72/572338172.db2.gz	OMPDLAGEQQGSHT-UHFFFAOYSA-N	0	0	190.271	3.074	10	0		AGAERN
C[C@@H]1CCC[C@H]([C@H](O)C(C)(C)C)C1	52231795	572338444	/nfs/dbraw/zinc/33/84/44/572338444.db2.gz	VOUCKPFBHIAHEO-VWYCJHECSA-N	0	0	184.323	3.220	10	0		AGAERN
C/C=C\Cc1ccc2c(c1)CCCN2	256089287	572338678	/nfs/dbraw/zinc/33/86/78/572338678.db2.gz	FLPIIIMUXHNMIL-IHWYPQMZSA-N	0	0	187.286	3.163	10	0		AGAERN
CCC/C=C(/F)[C@H](O)c1ccccc1	238213176	572338699	/nfs/dbraw/zinc/33/86/99/572338699.db2.gz	BFZXIOZNJHHYIP-LMMOQWNQSA-N	0	0	194.249	3.374	10	0		AGAERN
CCCC=C=C[C@@H](O)c1ccsc1	238213137	572338705	/nfs/dbraw/zinc/33/87/05/572338705.db2.gz	UCMVARFIUQJCGJ-JDLXGLENSA-N	0	0	194.299	3.293	10	0		AGAERN
CCC/C=C(/F)[C@@H](O)c1ccccc1	238213114	572338712	/nfs/dbraw/zinc/33/87/12/572338712.db2.gz	BFZXIOZNJHHYIP-ZKQHCESOSA-N	0	0	194.249	3.374	10	0		AGAERN
CCCC=C=C[C@@H](O)C1CCCCC1	238213059	572338722	/nfs/dbraw/zinc/33/87/22/572338722.db2.gz	MYDSWUJUBVXXBI-AZMWARKLSA-N	0	0	194.318	3.439	10	0		AGAERN
CCCC=C=C[C@H](O)c1ccsc1	238213277	572338726	/nfs/dbraw/zinc/33/87/26/572338726.db2.gz	UCMVARFIUQJCGJ-ZOHDFZEYSA-N	0	0	194.299	3.293	10	0		AGAERN
CCCC=C=C[C@H](O)C1CCCCC1	238213216	572338795	/nfs/dbraw/zinc/33/87/95/572338795.db2.gz	MYDSWUJUBVXXBI-RLROJCQXSA-N	0	0	194.318	3.439	10	0		AGAERN
C=C/C=C/CCC(=O)CSC(C)C	713688514	572338835	/nfs/dbraw/zinc/33/88/35/572338835.db2.gz	WNODDBIZSSWDLW-AATRIKPKSA-N	0	0	198.331	3.220	10	0		AGAERN
CCCC=C=C[C@@H](O)c1ccccc1	238213116	572338966	/nfs/dbraw/zinc/33/89/66/572338966.db2.gz	WEGYEFAEYWSNGK-AZMWARKLSA-N	0	0	188.270	3.231	10	0		AGAERN
CCCC=C=C[C@H](O)c1ccccc1	238213261	572338979	/nfs/dbraw/zinc/33/89/79/572338979.db2.gz	WEGYEFAEYWSNGK-RLROJCQXSA-N	0	0	188.270	3.231	10	0		AGAERN
CCCC[C@H](CO)C[Si](C)(C)C	238213211	572339141	/nfs/dbraw/zinc/33/91/41/572339141.db2.gz	ZLTIAWFTSFPQAA-SNVBAGLBSA-N	0	0	188.387	3.123	10	0		AGAERN
CC/C(=C/CO)CCCC(C)C	307983452	572339176	/nfs/dbraw/zinc/33/91/76/572339176.db2.gz	QVSJGFBSZHZGHS-FLIBITNWSA-N	0	0	170.296	3.141	10	0		AGAERN
C=C=CCCCNc1ccccc1	196496753	572339318	/nfs/dbraw/zinc/33/93/18/572339318.db2.gz	YIWAVYIIGDVCIK-UHFFFAOYSA-N	0	0	173.259	3.220	10	0		AGAERN
C=C/C=C\CCC(=O)CSC(C)C	713688516	572339380	/nfs/dbraw/zinc/33/93/80/572339380.db2.gz	WNODDBIZSSWDLW-WAYWQWQTSA-N	0	0	198.331	3.220	10	0		AGAERN
CCCC=C=C(CC)C[C@H](C)O	238212615	572339578	/nfs/dbraw/zinc/33/95/78/572339578.db2.gz	XJCQXXIDVLHUBU-HTLJXXAVSA-N	0	0	168.280	3.049	10	0		AGAERN
C=C/C=C\CCC(=O)CSCCC	713686177	572339696	/nfs/dbraw/zinc/33/96/96/572339696.db2.gz	RSMZRWXKBLWVKR-WAYWQWQTSA-N	0	0	198.331	3.221	10	0		AGAERN
CCC/C=C/[C@@H](O)C1=CCCCC1	238215653	572339707	/nfs/dbraw/zinc/33/97/07/572339707.db2.gz	UJBWBXQHNXJZSM-SBKJXLNCSA-N	0	0	180.291	3.204	10	0		AGAERN
CC/C=C(/C)C[C@@H](O)c1ccccc1	238215678	572339712	/nfs/dbraw/zinc/33/97/12/572339712.db2.gz	WLNNVLIDFFSZOV-LWMSPQMPSA-N	0	0	190.286	3.466	10	0		AGAERN
C=C=Cc1cc(C(C)C)ccc1CO	196602184	572339713	/nfs/dbraw/zinc/33/97/13/572339713.db2.gz	AAEFYGMVEJRBSA-UHFFFAOYSA-N	0	0	188.270	3.100	10	0		AGAERN
C=C(OCCCC)c1cccc(O)c1	238212255	572339751	/nfs/dbraw/zinc/33/97/51/572339751.db2.gz	MZBQKPWQXIWBSG-UHFFFAOYSA-N	0	0	192.258	3.180	10	0		AGAERN
CCCCC[C@@H](O)CC=C(C)C	238214970	572339924	/nfs/dbraw/zinc/33/99/24/572339924.db2.gz	BJBDLBPPKFRPFJ-LLVKDONJSA-N	0	0	170.296	3.284	10	0		AGAERN
CC1(C)CCC(=O)[C@@H]1c1ccccc1	196639453	572339997	/nfs/dbraw/zinc/33/99/97/572339997.db2.gz	WOCLVFFUSFEKIV-LBPRGKRZSA-N	0	0	188.270	3.159	10	0		AGAERN
C=C/C=C\CC[C@H](O)[C@H](C)C(C)C	713685899	572340063	/nfs/dbraw/zinc/34/00/63/572340063.db2.gz	QUYXSZQSVMPDRA-PBWNMSGQSA-N	0	0	182.307	3.162	10	0		AGAERN
Cc1cc2c([nH]1)CCCCCC=C2	307982587	572340132	/nfs/dbraw/zinc/34/01/32/572340132.db2.gz	HABBIRXWPUCKNH-UHFFFAOYSA-N	0	0	175.275	3.453	10	0		AGAERN
Cc1ccc([C@H]2CCC[C@H](O)C2)cc1	60237184	572340186	/nfs/dbraw/zinc/34/01/86/572340186.db2.gz	GSKNVFWCBBYHMP-STQMWFEESA-N	0	0	190.286	3.014	10	0		AGAERN
CC/C=C(/C)C[C@H](C)[C@@H](O)CC	238215703	572340235	/nfs/dbraw/zinc/34/02/35/572340235.db2.gz	YAFMBXJGQOWRSS-RHJQIECPSA-N	0	0	170.296	3.140	10	0		AGAERN
CCC/C=C/Cc1ccccc1CO	238215308	572340281	/nfs/dbraw/zinc/34/02/81/572340281.db2.gz	ORUZOFWUFAEDQL-SNAWJCMRSA-N	0	0	190.286	3.078	10	0		AGAERN
Cc1[nH]c(C)c(C(C)C)c1C	60227941	572340329	/nfs/dbraw/zinc/34/03/29/572340329.db2.gz	IIYDJYWEPNFFLO-UHFFFAOYSA-N	0	0	151.253	3.063	10	0		AGAERN
CCC/C=C/CC/C=C/CCO	238214546	572340341	/nfs/dbraw/zinc/34/03/41/572340341.db2.gz	FYPXVOMQSYZAKV-KQWYESAVSA-N	0	0	168.280	3.062	10	0		AGAERN
CCCCCC[C@@H]1CC(C)=C[C@H](O)O1	238212415	572340605	/nfs/dbraw/zinc/34/06/05/572340605.db2.gz	XANCNSHDNINJOK-VXGBXAGGSA-N	0	0	198.306	3.010	10	0		AGAERN
CCCC=C=C(CC)C[C@@H](C)O	238212600	572340641	/nfs/dbraw/zinc/34/06/41/572340641.db2.gz	XJCQXXIDVLHUBU-LHIURRSHSA-N	0	0	168.280	3.049	10	0		AGAERN
CCCCCC[C@@H]1CC=CC(=S)N1	238212489	572340802	/nfs/dbraw/zinc/34/08/02/572340802.db2.gz	RWPARCVCPAUWOP-SNVBAGLBSA-N	0	0	197.347	3.202	10	0		AGAERN
CCC/C=C(/CC)[C@@H](O)CCC	238212233	572341000	/nfs/dbraw/zinc/34/10/00/572341000.db2.gz	CDLYQPJYQNNBFV-JUDLJHIGSA-N	0	0	170.296	3.284	10	0		AGAERN
CCC/C=C(/CC)[C@H](O)C=C(C)C	238212424	572341117	/nfs/dbraw/zinc/34/11/17/572341117.db2.gz	BWWJGHVLNPVNRX-NXIHDVOMSA-N	0	0	182.307	3.450	10	0		AGAERN
CC/C=C(/C)C[C@H](C)C[C@H](C)CO	238215694	572341307	/nfs/dbraw/zinc/34/13/07/572341307.db2.gz	WKBGMSFKBREYCQ-AUSWNFFYSA-N	0	0	184.323	3.387	10	0		AGAERN
C=C/C=C/CC[C@H](O)c1cccs1	713685234	572341413	/nfs/dbraw/zinc/34/14/13/572341413.db2.gz	PSPLBPCNONJIGR-FSIBCCDJSA-N	0	0	194.299	3.304	10	0		AGAERN
Cc1ccc([C@H]2CCC[C@@H](O)C2)cc1	60237186	572341456	/nfs/dbraw/zinc/34/14/56/572341456.db2.gz	GSKNVFWCBBYHMP-QWHCGFSZSA-N	0	0	190.286	3.014	10	0		AGAERN
CC/C=C/[C@H](O)C/C=C/CCC	238215017	572341492	/nfs/dbraw/zinc/34/14/92/572341492.db2.gz	OIRQAYPPZSZVHV-KIKYGZLBSA-N	0	0	168.280	3.060	10	0		AGAERN
CCC/C=C(/CC)[C@H](O)CCC	238212464	572341504	/nfs/dbraw/zinc/34/15/04/572341504.db2.gz	CDLYQPJYQNNBFV-DWOQACPDSA-N	0	0	170.296	3.284	10	0		AGAERN
C=C/C=C\CC[C@@H](O)c1cccs1	713685236	572341509	/nfs/dbraw/zinc/34/15/09/572341509.db2.gz	PSPLBPCNONJIGR-UMBAGQNISA-N	0	0	194.299	3.304	10	0		AGAERN
C/C=C(\CC)[C@H](O)/C=C/[Si](C)(C)C	196613129	572341542	/nfs/dbraw/zinc/34/15/42/572341542.db2.gz	UXYCMAGNHRVJOF-QYFITQLASA-N	0	0	198.382	3.137	10	0		AGAERN
CC[C@@H](C)n1[nH]c(C(C)C)cc1=S	52305503	572341565	/nfs/dbraw/zinc/34/15/65/572341565.db2.gz	LXKWRJVUAXFBBT-MRVPVSSYSA-N	0	0	198.335	3.266	10	0		AGAERN
CCC/C=C(/CCC)[C@@H](O)C1CC1	238212655	572341581	/nfs/dbraw/zinc/34/15/81/572341581.db2.gz	XJCPXKADFJLVON-MQGYJPLLSA-N	0	0	182.307	3.284	10	0		AGAERN
C/C=C/[C@H](O)/C(=C\CCC)CC	238212348	572341641	/nfs/dbraw/zinc/34/16/41/572341641.db2.gz	DQOADXDJKQWBDM-DLZRTHLMSA-N	0	0	168.280	3.060	10	0		AGAERN
CCC/C=C/C[C@H](O)C(C)(C)C	238215138	572341677	/nfs/dbraw/zinc/34/16/77/572341677.db2.gz	FJUTYOQUCFNHGE-JARNTUPDSA-N	0	0	170.296	3.140	10	0		AGAERN
CC[C@H](C)n1[nH]c(C(C)C)cc1=S	52305505	572341718	/nfs/dbraw/zinc/34/17/18/572341718.db2.gz	LXKWRJVUAXFBBT-QMMMGPOBSA-N	0	0	198.335	3.266	10	0		AGAERN
CCC/C(C)=C\CCC[C@@H](C)O	307983050	572341737	/nfs/dbraw/zinc/34/17/37/572341737.db2.gz	QEJGQEBLRITEHO-HIJJYWJESA-N	0	0	170.296	3.284	10	0		AGAERN
CC/C=C(/CC)C[C@@H](C)CCO	238216887	572345147	/nfs/dbraw/zinc/34/51/47/572345147.db2.gz	MLCPDVQDMJFZHI-OYUORYAFSA-N	0	0	170.296	3.141	10	0		AGAERN
C=C/C=C\CC[C@H](O)c1cccs1	713685248	572341805	/nfs/dbraw/zinc/34/18/05/572341805.db2.gz	PSPLBPCNONJIGR-XOULXFPDSA-N	0	0	194.299	3.304	10	0		AGAERN
C=C(OCCCC)c1ccc(O)cc1	238212218	572341815	/nfs/dbraw/zinc/34/18/15/572341815.db2.gz	SLUJODQQNWMNFC-UHFFFAOYSA-N	0	0	192.258	3.180	10	0		AGAERN
CC/C=C(\F)[C@H](O)CCCCC	238214625	572341839	/nfs/dbraw/zinc/34/18/39/572341839.db2.gz	NYDXEUXVEYSPLK-UJICNMFASA-N	0	0	174.259	3.191	10	0		AGAERN
CC/C=C(/C)C[C@@H](O)C(C)(C)C	238215648	572341853	/nfs/dbraw/zinc/34/18/53/572341853.db2.gz	XEBUTMBRAPJXMN-UJICNMFASA-N	0	0	170.296	3.140	10	0		AGAERN
CCC/C=C/C[C@@H](O)C(C)(C)C	238214939	572341889	/nfs/dbraw/zinc/34/18/89/572341889.db2.gz	FJUTYOQUCFNHGE-QROSGCPLSA-N	0	0	170.296	3.140	10	0		AGAERN
CC(=O)CC[C@H]1CCCC[C@H]1C	196605652	572343179	/nfs/dbraw/zinc/34/31/79/572343179.db2.gz	CJYZPVXQUNPNLV-MWLCHTKSSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1ccc([C@@H]2CCC[C@@H](O)C2)cc1	60237185	572341938	/nfs/dbraw/zinc/34/19/38/572341938.db2.gz	GSKNVFWCBBYHMP-CHWSQXEVSA-N	0	0	190.286	3.014	10	0		AGAERN
CCC/C=C(/CCC)[C@H](O)C1CC1	238212707	572341980	/nfs/dbraw/zinc/34/19/80/572341980.db2.gz	XJCPXKADFJLVON-UMAGTOLTSA-N	0	0	182.307	3.284	10	0		AGAERN
CCC/C=C(/CCC)[C@@H](O)CC	238212683	572342056	/nfs/dbraw/zinc/34/20/56/572342056.db2.gz	AHDCIHWUCORUHX-JUDLJHIGSA-N	0	0	170.296	3.284	10	0		AGAERN
CCCCCC[C@H](/C=C\F)CO	307980590	572342149	/nfs/dbraw/zinc/34/21/49/572342149.db2.gz	NTFDCJKJXHSHSH-GQYWMQPJSA-N	0	0	174.259	3.049	10	0		AGAERN
CCCCCC[C@H]1C=CNC(=S)C1	238212367	572342174	/nfs/dbraw/zinc/34/21/74/572342174.db2.gz	UTKUZPBMGIYDJQ-JTQLQIEISA-N	0	0	197.347	3.407	10	0		AGAERN
C=C/C=C/CCC(=O)CSCCC	713686173	572342177	/nfs/dbraw/zinc/34/21/77/572342177.db2.gz	RSMZRWXKBLWVKR-AATRIKPKSA-N	0	0	198.331	3.221	10	0		AGAERN
Cc1ccc([C@@H]2CCC[C@H](O)C2)cc1	60237183	572342232	/nfs/dbraw/zinc/34/22/32/572342232.db2.gz	GSKNVFWCBBYHMP-OLZOCXBDSA-N	0	0	190.286	3.014	10	0		AGAERN
C=C/C=C/CC[C@@H](O)c1cccs1	713685235	572342249	/nfs/dbraw/zinc/34/22/49/572342249.db2.gz	PSPLBPCNONJIGR-HMDXOVGESA-N	0	0	194.299	3.304	10	0		AGAERN
CCCCCC[C@@H]1CC(C)=C[C@@H](O)O1	238212401	572342265	/nfs/dbraw/zinc/34/22/65/572342265.db2.gz	XANCNSHDNINJOK-NEPJUHHUSA-N	0	0	198.306	3.010	10	0		AGAERN
CCCCCC[C@H]1C=CCC(=S)N1	238214306	572342299	/nfs/dbraw/zinc/34/22/99/572342299.db2.gz	YEUASCKEVABJRV-JTQLQIEISA-N	0	0	197.347	3.202	10	0		AGAERN
CCCC/C(=C/[C@H](C)O)CCC	307984136	572348087	/nfs/dbraw/zinc/34/80/87/572348087.db2.gz	RHCXYAAYKQAOEJ-SPQRFVMMSA-N	0	0	170.296	3.284	10	0		AGAERN
COc1cnccc1-c1ccccc1C	196649449	572342393	/nfs/dbraw/zinc/34/23/93/572342393.db2.gz	OQRMBMHZUUDHIU-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
CCC/C=C/[C@@H](O)c1ccc(C)cc1	238215926	572343097	/nfs/dbraw/zinc/34/30/97/572343097.db2.gz	MZAQEACLDOBIMZ-URWSZGRFSA-N	0	0	190.286	3.385	10	0		AGAERN
C/C(=C/Cl)CC[C@@H](O)CC(C)C	307980637	572342656	/nfs/dbraw/zinc/34/26/56/572342656.db2.gz	OAYKTNTVIFNSED-UJICNMFASA-N	0	0	190.714	3.316	10	0		AGAERN
CCC/C=C/[C@@H](O)C[Si](C)(C)C	238215736	572342733	/nfs/dbraw/zinc/34/27/33/572342733.db2.gz	UMQITDWMYOAYFE-QROSGCPLSA-N	0	0	186.371	3.042	10	0		AGAERN
CCCCC[C@@H](O)[C@H](C)/C=C/Cl	238216667	572342770	/nfs/dbraw/zinc/34/27/70/572342770.db2.gz	ZSIDCNMOGMSUPX-WENXHQBNSA-N	0	0	190.714	3.316	10	0		AGAERN
CCC/C=C/C=C(/CCC)CCO	238213958	572344046	/nfs/dbraw/zinc/34/40/46/572344046.db2.gz	SOEJNQWJBQKKEC-XGHSRDQLSA-N	0	0	182.307	3.452	10	0		AGAERN
CC/C=C(/CC)[C@@H](O)C(C)(C)C	238216991	572343105	/nfs/dbraw/zinc/34/31/05/572343105.db2.gz	DFQJSZZQNANLEU-HSTULFTRSA-N	0	0	170.296	3.140	10	0		AGAERN
CCCC(=O)[C@@H](C)[Si](C)(C)C	196605845	572343196	/nfs/dbraw/zinc/34/31/96/572343196.db2.gz	WVWWEQMMXOLDDG-MRVPVSSYSA-N	0	0	172.344	3.084	10	0		AGAERN
CC/C=C(/CCCO)c1ccccc1	238217162	572343247	/nfs/dbraw/zinc/34/32/47/572343247.db2.gz	KDRXQGAMWNNWNN-GHXNOFRVSA-N	0	0	190.286	3.253	10	0		AGAERN
CCCC(=O)[C@H](C)[Si](C)(C)C	196605856	572343268	/nfs/dbraw/zinc/34/32/68/572343268.db2.gz	WVWWEQMMXOLDDG-QMMMGPOBSA-N	0	0	172.344	3.084	10	0		AGAERN
CCCCCC[C@@]1(CC)C[C@@H]1CO	238216463	572343469	/nfs/dbraw/zinc/34/34/69/572343469.db2.gz	UVKMUZYGCVOPPX-NEPJUHHUSA-N	0	0	184.323	3.365	10	0		AGAERN
CCCCC[C@@H](O)[C@@H](C)/C=C/Cl	238215786	572343614	/nfs/dbraw/zinc/34/36/14/572343614.db2.gz	ZSIDCNMOGMSUPX-ACMYFRETSA-N	0	0	190.714	3.316	10	0		AGAERN
CCCCCC[C@H](C)/C=C/CO	307980012	572343730	/nfs/dbraw/zinc/34/37/30/572343730.db2.gz	NCIQHLAUKZSEDE-DJYGCBNOSA-N	0	0	170.296	3.141	10	0		AGAERN
C/C(=C\[C@@H](C)O)c1cccc(Cl)c1	388436698	572343741	/nfs/dbraw/zinc/34/37/41/572343741.db2.gz	CPWUJQPSGMFUKS-BNICOGTQSA-N	0	0	196.677	3.124	10	0		AGAERN
CCCCCC[C@@H](/C=C\F)CO	307980589	572343784	/nfs/dbraw/zinc/34/37/84/572343784.db2.gz	NTFDCJKJXHSHSH-DMEOUFDRSA-N	0	0	174.259	3.049	10	0		AGAERN
CC/C=C(/C)C[C@H](O)c1ccccc1	238215742	572343864	/nfs/dbraw/zinc/34/38/64/572343864.db2.gz	WLNNVLIDFFSZOV-YLBKJLTLSA-N	0	0	190.286	3.466	10	0		AGAERN
CC[C@@H](/C=C\CCO)[Si](C)(C)C	307989639	572343885	/nfs/dbraw/zinc/34/38/85/572343885.db2.gz	VGBVUSLEYIHWQD-ZEBCKKTISA-N	0	0	186.371	3.043	10	0		AGAERN
CCCCC[C@@H](O)[C@H]1C=CC=CCC1	238216234	572343953	/nfs/dbraw/zinc/34/39/53/572343953.db2.gz	NIRCMQDGJSHAMM-QWHCGFSZSA-N	0	0	194.318	3.450	10	0		AGAERN
C[C@@H](O)/C=C1\CCCC(C)(C)CC1	388434075	572343996	/nfs/dbraw/zinc/34/39/96/572343996.db2.gz	ALVVZCIQUYDWEZ-OYVNLZQHSA-N	0	0	182.307	3.284	10	0		AGAERN
CCCCC[C@@H](O)[C@H]1C=CCCC1	238216267	572344115	/nfs/dbraw/zinc/34/41/15/572344115.db2.gz	PLCNCFJHPZVQOS-NWDGAFQWSA-N	0	0	182.307	3.284	10	0		AGAERN
Cc1cc(C)cc(-c2ncccc2O)c1	65337730	572344129	/nfs/dbraw/zinc/34/41/29/572344129.db2.gz	UHCJZNOAUSIQIY-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
CC(C)[Si](C)(CCCO)C(C)C	238216274	572344252	/nfs/dbraw/zinc/34/42/52/572344252.db2.gz	HYGVTIFHMOPQIU-UHFFFAOYSA-N	0	0	188.387	3.267	10	0		AGAERN
CCCC(=O)CCc1sccc1C	87022994	572344298	/nfs/dbraw/zinc/34/42/98/572344298.db2.gz	GQAOZUUUVRSVFU-UHFFFAOYSA-N	0	0	196.315	3.358	10	0		AGAERN
C=C/C=C\CC[C@@H](O)c1ccc(C)o1	713691297	572344410	/nfs/dbraw/zinc/34/44/10/572344410.db2.gz	AGXPTHIQPMLGGK-DOGVGXBMSA-N	0	0	192.258	3.144	10	0		AGAERN
CCCCCC[C@@H]1C[C@@H]1C(C)=O	238213683	572344469	/nfs/dbraw/zinc/34/44/69/572344469.db2.gz	HTAKKUXRMWOYCD-GHMZBOCLSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCCCC[C@H](C)/C=C\CO	307980013	572344503	/nfs/dbraw/zinc/34/45/03/572344503.db2.gz	NCIQHLAUKZSEDE-DVBBHNHCSA-N	0	0	170.296	3.141	10	0		AGAERN
CC(=O)CCc1ccccc1C1CC1	87014888	572344615	/nfs/dbraw/zinc/34/46/15/572344615.db2.gz	AARBKFKAOHKVED-UHFFFAOYSA-N	0	0	188.270	3.086	10	0		AGAERN
CCC/C=C(/C=C/CCC)CO	238213810	572344645	/nfs/dbraw/zinc/34/46/45/572344645.db2.gz	PSUNAHWMUIGLQQ-BGZVTZOUSA-N	0	0	168.280	3.062	10	0		AGAERN
CCCCCC[C@@H]1C[C@H]1C(C)=O	238214037	572344649	/nfs/dbraw/zinc/34/46/49/572344649.db2.gz	HTAKKUXRMWOYCD-MNOVXSKESA-N	0	0	168.280	3.182	10	0		AGAERN
C=C/C=C/CC[C@H](O)c1ccc(C)o1	713691306	572344687	/nfs/dbraw/zinc/34/46/87/572344687.db2.gz	AGXPTHIQPMLGGK-ZWNMCFTASA-N	0	0	192.258	3.144	10	0		AGAERN
C/C(=C\[C@H](C)O)c1cccc(Cl)c1	388436699	572344703	/nfs/dbraw/zinc/34/47/03/572344703.db2.gz	CPWUJQPSGMFUKS-ORZBULNSSA-N	0	0	196.677	3.124	10	0		AGAERN
CCC[C@@H](O)c1cccc(C2CC2)c1	87012707	572344732	/nfs/dbraw/zinc/34/47/32/572344732.db2.gz	UQJDUZSBIHDTBP-CYBMUJFWSA-N	0	0	190.286	3.398	10	0		AGAERN
C[C@H](O)/C=C1\CCCC(C)(C)CC1	388434077	572345400	/nfs/dbraw/zinc/34/54/00/572345400.db2.gz	ALVVZCIQUYDWEZ-SPQRFVMMSA-N	0	0	182.307	3.284	10	0		AGAERN
CCCCCC[C@H](C)C(C)(C)C(N)=O	238216807	572345047	/nfs/dbraw/zinc/34/50/47/572345047.db2.gz	CUJSONAXXBZHNH-JTQLQIEISA-N	0	0	199.338	3.104	10	0		AGAERN
CCC[C@@H](O)CCc1sccc1C	87023390	572345063	/nfs/dbraw/zinc/34/50/63/572345063.db2.gz	ZDBGSBKIDQZCDC-SNVBAGLBSA-N	0	0	198.331	3.150	10	0		AGAERN
CC/C=C(/CC)C[C@H](C)CCO	238216916	572345136	/nfs/dbraw/zinc/34/51/36/572345136.db2.gz	MLCPDVQDMJFZHI-CHPNCVJKSA-N	0	0	170.296	3.141	10	0		AGAERN
CCC/C=C/C=C/[C@@H](O)CCC	238214090	572345162	/nfs/dbraw/zinc/34/51/62/572345162.db2.gz	ZBOLKMMHTKNNHF-LMIDHTKZSA-N	0	0	168.280	3.060	10	0		AGAERN
CC/C=C(/C)C[C@H](O)C(C)(C)C	238215715	572345270	/nfs/dbraw/zinc/34/52/70/572345270.db2.gz	XEBUTMBRAPJXMN-RNKPRXRFSA-N	0	0	170.296	3.140	10	0		AGAERN
CCC/C=C/C(O)/C=C/CCC	238213850	572345332	/nfs/dbraw/zinc/34/53/32/572345332.db2.gz	LFERZQUDLQPPBM-FIFLTTCUSA-N	0	0	168.280	3.060	10	0		AGAERN
CC/C=C(/C)[C@H](O)c1ccc(CC)o1	238216685	572345356	/nfs/dbraw/zinc/34/53/56/572345356.db2.gz	GNSDDMYLVCQNTP-PWWFUAJNSA-N	0	0	194.274	3.232	10	0		AGAERN
CCCCCC[C@@]1(CC)C[C@H]1CO	238216474	572345516	/nfs/dbraw/zinc/34/55/16/572345516.db2.gz	UVKMUZYGCVOPPX-RYUDHWBXSA-N	0	0	184.323	3.365	10	0		AGAERN
CC/C(=C\CO)CCCC(C)C	238213764	572345828	/nfs/dbraw/zinc/34/58/28/572345828.db2.gz	QVSJGFBSZHZGHS-DHZHZOJOSA-N	0	0	170.296	3.141	10	0		AGAERN
CC/C=C(/CC)[C@H](O)C(C)(C)C	238217062	572345938	/nfs/dbraw/zinc/34/59/38/572345938.db2.gz	DFQJSZZQNANLEU-QROTZFDESA-N	0	0	170.296	3.140	10	0		AGAERN
CC(=O)CCc1ccc(C2CC2)cc1	87014009	572345944	/nfs/dbraw/zinc/34/59/44/572345944.db2.gz	WVDQLOVHPLEDPS-UHFFFAOYSA-N	0	0	188.270	3.086	10	0		AGAERN
CCC[C@H](O)c1cccc(C2CC2)c1	87012704	572345994	/nfs/dbraw/zinc/34/59/94/572345994.db2.gz	UQJDUZSBIHDTBP-ZDUSSCGKSA-N	0	0	190.286	3.398	10	0		AGAERN
CC/C=C(/C)C[C@H](C)C(=O)CC	210315343	572346132	/nfs/dbraw/zinc/34/61/32/572346132.db2.gz	VMIHRSFDMSRUGK-RNKPRXRFSA-N	0	0	168.280	3.348	10	0		AGAERN
Cc1ccsc1CC[C@H](O)C(C)C	87023403	572346201	/nfs/dbraw/zinc/34/62/01/572346201.db2.gz	LPRLOYMYEDAEAI-JTQLQIEISA-N	0	0	198.331	3.006	10	0		AGAERN
CCC[C@@H](C[C@H](C)O)c1ccccc1	238218672	572346220	/nfs/dbraw/zinc/34/62/20/572346220.db2.gz	DXYDYPPYJZTBPN-AAEUAGOBSA-N	0	0	192.302	3.341	10	0		AGAERN
CCCC/C(=C\[C@H](C)O)CCC	307984131	572346454	/nfs/dbraw/zinc/34/64/54/572346454.db2.gz	RHCXYAAYKQAOEJ-RGAIUGGKSA-N	0	0	170.296	3.284	10	0		AGAERN
CC[C@H](C)CCC/C=C\[C@H](C)O	307984108	572346510	/nfs/dbraw/zinc/34/65/10/572346510.db2.gz	RFTLKQVPYPLGNF-RHJQIECPSA-N	0	0	170.296	3.140	10	0		AGAERN
Cc1ccsc1CCC(=O)C(C)C	87022997	572346649	/nfs/dbraw/zinc/34/66/49/572346649.db2.gz	RGKDUIANFWMRCK-UHFFFAOYSA-N	0	0	196.315	3.214	10	0		AGAERN
C/C=C\c1cccc(/C=C/C)c1N	307990721	572346875	/nfs/dbraw/zinc/34/68/75/572346875.db2.gz	PKPOHHSWWAEVMN-UCZKPGLMSA-N	0	0	173.259	3.335	10	0		AGAERN
CCC[C@@H](O)c1ccccc1C1CC1	87015251	572346890	/nfs/dbraw/zinc/34/68/90/572346890.db2.gz	CYMUONJPUNPKBD-CYBMUJFWSA-N	0	0	190.286	3.398	10	0		AGAERN
CC/C=C\C/C=C/CCCCO	307990459	572346922	/nfs/dbraw/zinc/34/69/22/572346922.db2.gz	VXJLDGPMMUUYAZ-WWVFNRLHSA-N	0	0	168.280	3.062	10	0		AGAERN
C/C=C\c1cccc(/C=C\C)c1N	307990724	572346957	/nfs/dbraw/zinc/34/69/57/572346957.db2.gz	PKPOHHSWWAEVMN-VKOMYYDGSA-N	0	0	173.259	3.335	10	0		AGAERN
C/C=C(/C)C/C=C(\C)C[C@H](C)O	307985022	572347289	/nfs/dbraw/zinc/34/72/89/572347289.db2.gz	RXCHMGHLAVFONW-DKQFMCFSSA-N	0	0	168.280	3.060	10	0		AGAERN
C=C/C=C/CC[C@@H](O)c1ccc(C)o1	713691301	572347083	/nfs/dbraw/zinc/34/70/83/572347083.db2.gz	AGXPTHIQPMLGGK-SGUJLRQBSA-N	0	0	192.258	3.144	10	0		AGAERN
CCCC/C=C\[C@H](O)CC(C)C	307984148	572347156	/nfs/dbraw/zinc/34/71/56/572347156.db2.gz	RHIKDCPXPSZUFF-TVRMLOFPSA-N	0	0	170.296	3.140	10	0		AGAERN
CCC[C@@H](O)c1ccc(C2CC2)cc1	87012848	572347166	/nfs/dbraw/zinc/34/71/66/572347166.db2.gz	GXKVFQUVJXBBDM-CYBMUJFWSA-N	0	0	190.286	3.398	10	0		AGAERN
CC/C=C/C/C=C\CCCCO	307990458	572347169	/nfs/dbraw/zinc/34/71/69/572347169.db2.gz	VXJLDGPMMUUYAZ-FDTUMDBZSA-N	0	0	168.280	3.062	10	0		AGAERN
C=C/C=C\CNc1ccc(Cl)cc1	307984279	572347219	/nfs/dbraw/zinc/34/72/19/572347219.db2.gz	IJIGOBYRVMKNEK-ARJAWSKDSA-N	0	0	193.677	3.494	10	0		AGAERN
CCC[C@H](O)c1ccccc1C1CC1	87015250	572347228	/nfs/dbraw/zinc/34/72/28/572347228.db2.gz	CYMUONJPUNPKBD-ZDUSSCGKSA-N	0	0	190.286	3.398	10	0		AGAERN
CCC[C@H](O)c1ccc(C2CC2)cc1	87012846	572347261	/nfs/dbraw/zinc/34/72/61/572347261.db2.gz	GXKVFQUVJXBBDM-ZDUSSCGKSA-N	0	0	190.286	3.398	10	0		AGAERN
CC/C=C(/C)C(CO)/C(C)=C/CC	238218013	572347395	/nfs/dbraw/zinc/34/73/95/572347395.db2.gz	VFCHPZNEJGFYAI-BDLVGCLISA-N	0	0	182.307	3.308	10	0		AGAERN
CC[C@@H](F)CSCc1ccco1	307990743	572347402	/nfs/dbraw/zinc/34/74/02/572347402.db2.gz	SVZWHIIQQMJVOB-MRVPVSSYSA-N	0	0	188.267	3.261	10	0		AGAERN
CCC/C=C/[C@H](O)C[Si](C)(C)C	238217626	572347411	/nfs/dbraw/zinc/34/74/11/572347411.db2.gz	UMQITDWMYOAYFE-JARNTUPDSA-N	0	0	186.371	3.042	10	0		AGAERN
Cc1ccsc1CC[C@@H](O)C(C)C	87023404	572347473	/nfs/dbraw/zinc/34/74/73/572347473.db2.gz	LPRLOYMYEDAEAI-SNVBAGLBSA-N	0	0	198.331	3.006	10	0		AGAERN
C/C=C/C=C/[C@H](O)CCCCC	238217445	572347558	/nfs/dbraw/zinc/34/75/58/572347558.db2.gz	KHJJRZHPFFZWBB-ADTXHXHNSA-N	0	0	168.280	3.060	10	0		AGAERN
Nc1cccc2c3c(ccc12)CCCC3	238641206	572347603	/nfs/dbraw/zinc/34/76/03/572347603.db2.gz	MRJNTLJJPLXXSC-UHFFFAOYSA-N	0	0	197.281	3.301	10	0		AGAERN
CC[C@H](F)CSCc1ccco1	307990745	572347735	/nfs/dbraw/zinc/34/77/35/572347735.db2.gz	SVZWHIIQQMJVOB-QMMMGPOBSA-N	0	0	188.267	3.261	10	0		AGAERN
CCC[C@@H](C[C@@H](C)O)c1ccccc1	238218297	572347859	/nfs/dbraw/zinc/34/78/59/572347859.db2.gz	DXYDYPPYJZTBPN-YPMHNXCESA-N	0	0	192.302	3.341	10	0		AGAERN
CC/C=C/C=C/[C@H](O)CCCCC	238217493	572347958	/nfs/dbraw/zinc/34/79/58/572347958.db2.gz	SLAWMSAJANXCOA-REAUAHAJSA-N	0	0	182.307	3.450	10	0		AGAERN
CCCC(=O)c1ccccc1C	238217519	572348090	/nfs/dbraw/zinc/34/80/90/572348090.db2.gz	HWAWETUTDXHORE-IZZDOVSWSA-N	0	0	162.232	3.304	10	0		AGAERN
CC[C@H](C)CCC/C=C\[C@@H](C)O	307984105	572348307	/nfs/dbraw/zinc/34/83/07/572348307.db2.gz	RFTLKQVPYPLGNF-MHTFJADPSA-N	0	0	170.296	3.140	10	0		AGAERN
C=C(/C=C/CCCO)c1ccccc1	238641271	572348410	/nfs/dbraw/zinc/34/84/10/572348410.db2.gz	ORADZFJHOSJMDL-XBXARRHUSA-N	0	0	188.270	3.029	10	0		AGAERN
CC/C=C(\c1ccccc1)[C@@H](O)CC	238217621	572348446	/nfs/dbraw/zinc/34/84/46/572348446.db2.gz	SIEFJYHARNXJPG-RPHSKFLZSA-N	0	0	190.286	3.251	10	0		AGAERN
CC/C=C(\c1ccccc1)[C@H](O)CC	238217673	572348526	/nfs/dbraw/zinc/34/85/26/572348526.db2.gz	SIEFJYHARNXJPG-YQCJOKCJSA-N	0	0	190.286	3.251	10	0		AGAERN
C/C=C(\C)C/C=C(\C)C[C@H](C)O	307985023	572348607	/nfs/dbraw/zinc/34/86/07/572348607.db2.gz	RXCHMGHLAVFONW-NVDGBZCNSA-N	0	0	168.280	3.060	10	0		AGAERN
C/C=C\Cc1c(C)cc(N)cc1C	307990050	572348765	/nfs/dbraw/zinc/34/87/65/572348765.db2.gz	ONMRHTPUTPCQJU-PLNGDYQASA-N	0	0	175.275	3.004	10	0		AGAERN
CCCCC[C@@H](O)[C@@H]1C=CCCC1	238217179	572349214	/nfs/dbraw/zinc/34/92/14/572349214.db2.gz	PLCNCFJHPZVQOS-VXGBXAGGSA-N	0	0	182.307	3.284	10	0		AGAERN
CCC/C=C/[C@H](O)C1=CCCCC1	238217541	572349305	/nfs/dbraw/zinc/34/93/05/572349305.db2.gz	UJBWBXQHNXJZSM-DJTWPOEFSA-N	0	0	180.291	3.204	10	0		AGAERN
C(=C\c1cccs1)\c1ccncc1	198396067	572349320	/nfs/dbraw/zinc/34/93/20/572349320.db2.gz	JADQXNQBEASRFB-ARJAWSKDSA-N	0	0	187.267	3.314	10	0		AGAERN
CN(Cl)CCC1CCCCC1	206053095	572349517	/nfs/dbraw/zinc/34/95/17/572349517.db2.gz	DSYBVEFNVXZPKL-UHFFFAOYSA-N	0	0	175.703	3.042	10	0		AGAERN
CCC/C=C/CCSCC(C)=O	307986196	572349614	/nfs/dbraw/zinc/34/96/14/572349614.db2.gz	RDPHKMZIIDFENV-AATRIKPKSA-N	0	0	186.320	3.055	10	0		AGAERN
CCCCC[C@@H]1CC=CCC1=O	238218921	572349617	/nfs/dbraw/zinc/34/96/17/572349617.db2.gz	ULJBVPKIBZBFAB-SNVBAGLBSA-N	0	0	166.264	3.102	10	0		AGAERN
CCCCC[C@H]1C=CNC(=S)C1	238218785	572349630	/nfs/dbraw/zinc/34/96/30/572349630.db2.gz	DDMQSTILPNWVDU-VIFPVBQESA-N	0	0	183.320	3.017	10	0		AGAERN
CCCCSCc1ncoc1C	307986786	572349898	/nfs/dbraw/zinc/34/98/98/572349898.db2.gz	RINPSZFDLOWJIE-UHFFFAOYSA-N	0	0	185.292	3.016	10	0		AGAERN
COC(/C=C1/CCCC(C)(C)C1)OC	206105564	572350210	/nfs/dbraw/zinc/35/02/10/572350210.db2.gz	DHMPQWDVLQHCRI-NTMALXAHSA-N	0	0	198.306	3.132	10	0		AGAERN
CCC[C@@H](Cc1ccccc1)[C@H](C)O	238219239	572350376	/nfs/dbraw/zinc/35/03/76/572350376.db2.gz	WMDUUCIHMYUVAV-AAEUAGOBSA-N	0	0	192.302	3.026	10	0		AGAERN
CCC(CC)=C(C)CCC(C)=O	238219454	572350647	/nfs/dbraw/zinc/35/06/47/572350647.db2.gz	RPCIFRXDXHJZEJ-UHFFFAOYSA-N	0	0	168.280	3.492	10	0		AGAERN
COC(CC1=CCCC(C)(C)C1)OC	206105593	572350517	/nfs/dbraw/zinc/35/05/17/572350517.db2.gz	NRAMQSFMOTWPCR-UHFFFAOYSA-N	0	0	198.306	3.132	10	0		AGAERN
CCC[C@@H](Cc1ccccc1)[C@@H](C)O	238219222	572350610	/nfs/dbraw/zinc/35/06/10/572350610.db2.gz	WMDUUCIHMYUVAV-YPMHNXCESA-N	0	0	192.302	3.026	10	0		AGAERN
CCC[C@@H](O)/C=C(\CC)C(C)C	307985724	572350855	/nfs/dbraw/zinc/35/08/55/572350855.db2.gz	SPDZEBFXOMMRTF-RJCSOLBVSA-N	0	0	170.296	3.140	10	0		AGAERN
Nc1cccc2cc3c(cc12)CCCC3	238641650	572350907	/nfs/dbraw/zinc/35/09/07/572350907.db2.gz	YIKGFACIRLPABP-UHFFFAOYSA-N	0	0	197.281	3.301	10	0		AGAERN
CCC/C=C\CCSCC(C)=O	307986201	572351394	/nfs/dbraw/zinc/35/13/94/572351394.db2.gz	RDPHKMZIIDFENV-WAYWQWQTSA-N	0	0	186.320	3.055	10	0		AGAERN
CCC[C@H](O)/C=C(\CC)C(C)C	307985725	572351451	/nfs/dbraw/zinc/35/14/51/572351451.db2.gz	SPDZEBFXOMMRTF-UQSGXBNBSA-N	0	0	170.296	3.140	10	0		AGAERN
CCCC/C=C(\CO)C(C)(C)C	307986591	572351630	/nfs/dbraw/zinc/35/16/30/572351630.db2.gz	SWZXYNYHMVOKPS-CSKARUKUSA-N	0	0	170.296	3.141	10	0		AGAERN
CC(C)=CC/C(C)=C\[C@@H](O)C(C)C	238220187	572351768	/nfs/dbraw/zinc/35/17/68/572351768.db2.gz	LALHPVYWEXYKGF-NXIHDVOMSA-N	0	0	182.307	3.306	10	0		AGAERN
CSC(C)(C)C(=O)c1ccccc1	140927939	572353004	/nfs/dbraw/zinc/35/30/04/572353004.db2.gz	NXCUERZWSLYLCF-UHFFFAOYSA-N	0	0	194.299	3.011	10	0		AGAERN
COCOC1=CC[C@H](C(C)(C)C)CC1	196811610	572353279	/nfs/dbraw/zinc/35/32/79/572353279.db2.gz	CLUWDBJWKROIAP-JTQLQIEISA-N	0	0	198.306	3.337	10	0		AGAERN
C=C/C=C\CC[C@H](O)[C@H](C)C1CCC1	713693632	572353608	/nfs/dbraw/zinc/35/36/08/572353608.db2.gz	IVVXMCQDCZNMAJ-JLXHFUFZSA-N	0	0	194.318	3.306	10	0		AGAERN
COCOC1=CC[C@@H](C(C)(C)C)CC1	196811622	572353945	/nfs/dbraw/zinc/35/39/45/572353945.db2.gz	CLUWDBJWKROIAP-SNVBAGLBSA-N	0	0	198.306	3.337	10	0		AGAERN
CC/C=C\[C@@H](CC)[C@@H](O)CCC	307988680	572353958	/nfs/dbraw/zinc/35/39/58/572353958.db2.gz	UPLIVLBNLNKPGP-QNZWMITPSA-N	0	0	170.296	3.140	10	0		AGAERN
C=C/C=C\CC[C@H](O)[C@@H](C)C1CCC1	713693637	572354122	/nfs/dbraw/zinc/35/41/22/572354122.db2.gz	IVVXMCQDCZNMAJ-PYIQSQQJSA-N	0	0	194.318	3.306	10	0		AGAERN
CC[C@H](/C=C\CCO)[Si](C)(C)C	307988869	572354312	/nfs/dbraw/zinc/35/43/12/572354312.db2.gz	VGBVUSLEYIHWQD-BJPMOSCESA-N	0	0	186.371	3.043	10	0		AGAERN
OCCCC(=C(F)F)c1ccccc1	238646974	572354456	/nfs/dbraw/zinc/35/44/56/572354456.db2.gz	DCTWXCQMVMRMKS-UHFFFAOYSA-N	0	0	198.212	3.067	10	0		AGAERN
CCCCC[C@@H]1C[C@@H](C)C[C@@H](O)C1	238220408	572354741	/nfs/dbraw/zinc/35/47/41/572354741.db2.gz	BNSGRZHROQHRLQ-IJLUTSLNSA-N	0	0	184.323	3.364	10	0		AGAERN
C=C/C=C/CC[C@H](O)[C@@H](C)C1CCC1	713693634	572355129	/nfs/dbraw/zinc/35/51/29/572355129.db2.gz	IVVXMCQDCZNMAJ-JQBPPHQNSA-N	0	0	194.318	3.306	10	0		AGAERN
CCC/C=C1\CCCCC[C@@H]1O	307988845	572355259	/nfs/dbraw/zinc/35/52/59/572355259.db2.gz	VBWRHWIWAGODTG-HUYFXPKMSA-N	0	0	168.280	3.038	10	0		AGAERN
CCc1ccc(-c2ccccc2)cn1	140908271	572355896	/nfs/dbraw/zinc/35/58/96/572355896.db2.gz	SRELRUBGHLRHIZ-UHFFFAOYSA-N	0	0	183.254	3.311	10	0		AGAERN
CCOC(=O)/C(=C/C1(C)CCC1)CC	714380255	572355912	/nfs/dbraw/zinc/35/59/12/572355912.db2.gz	BOGYFADXONPNGE-MDZDMXLPSA-N	0	0	196.290	3.076	10	0		AGAERN
CC/C=C/CC[C@@H](O)c1ccccc1	238220371	572355998	/nfs/dbraw/zinc/35/59/98/572355998.db2.gz	CYUJRJAYHYHLQX-ITDFMYJTSA-N	0	0	190.286	3.466	10	0		AGAERN
C=C/C=C/CC[C@H](O)[C@H](C)C1CCC1	713693629	572356015	/nfs/dbraw/zinc/35/60/15/572356015.db2.gz	IVVXMCQDCZNMAJ-FVKZJRLBSA-N	0	0	194.318	3.306	10	0		AGAERN
CCCCCC[C@H](C)SCCO	238220405	572356198	/nfs/dbraw/zinc/35/61/98/572356198.db2.gz	BMTJAMHMYOADDY-JTQLQIEISA-N	0	0	190.352	3.071	10	0		AGAERN
C=C=CCCC[C@H](O)c1ccccc1	238666515	572357510	/nfs/dbraw/zinc/35/75/10/572357510.db2.gz	IBXPXMJWODZMIM-ZDUSSCGKSA-N	0	0	188.270	3.231	10	0		AGAERN
C=C/C=C/CC[C@]1(O)CCCC1(C)C	713694764	572357834	/nfs/dbraw/zinc/35/78/34/572357834.db2.gz	NLFBPLHRVXSZOR-GFUIURDCSA-N	0	0	194.318	3.450	10	0		AGAERN
C=C=CCCC[C@H](O)C1CCCCC1	238666474	572358300	/nfs/dbraw/zinc/35/83/00/572358300.db2.gz	ZJOWOGWACQUDJV-ZDUSSCGKSA-N	0	0	194.318	3.439	10	0		AGAERN
C=C/C=C/CC[C@H](O)c1ccccc1	238658024	572358886	/nfs/dbraw/zinc/35/88/86/572358886.db2.gz	XJYZEGDHGQYEHE-OOPCZODUSA-N	0	0	188.270	3.242	10	0		AGAERN
CCC(C)(C)C[C@@]1(CO)C[C@@H]2C[C@@H]2C1	713242290	572359354	/nfs/dbraw/zinc/35/93/54/572359354.db2.gz	LOJRKHHQZOXIEP-PJXYFTJBSA-N	0	0	196.334	3.221	10	0		AGAERN
C=C/C=C/CC[C@@]1(O)CCCC1(C)C	713694772	572359751	/nfs/dbraw/zinc/35/97/51/572359751.db2.gz	NLFBPLHRVXSZOR-URWSZGRFSA-N	0	0	194.318	3.450	10	0		AGAERN
Cc1ccc2c(C)c(C)cnc2c1	39408314	572359774	/nfs/dbraw/zinc/35/97/74/572359774.db2.gz	SGFBAXNBPVFOIO-UHFFFAOYSA-N	0	0	171.243	3.160	10	0		AGAERN
C=C/C=C\CC[C@]1(O)CCCC1(C)C	713694768	572359804	/nfs/dbraw/zinc/35/98/04/572359804.db2.gz	NLFBPLHRVXSZOR-SZZPACECSA-N	0	0	194.318	3.450	10	0		AGAERN
C=Cc1ccc2c(c1)SCCC2=O	140973228	572359990	/nfs/dbraw/zinc/35/99/90/572359990.db2.gz	SUCINMASSQJTNH-UHFFFAOYSA-N	0	0	190.267	3.008	10	0		AGAERN
C/C=C\Cc1cc(C)c(N)c(C)c1	307996819	572360563	/nfs/dbraw/zinc/36/05/63/572360563.db2.gz	ZRSFHBYIFWMYQG-PLNGDYQASA-N	0	0	175.275	3.004	10	0		AGAERN
CC[C@@H](C)C(=O)[C@@H](C)CC(C)C	307998106	572360626	/nfs/dbraw/zinc/36/06/26/572360626.db2.gz	DVUBFTOGSVXIMQ-ZJUUUORDSA-N	0	0	170.296	3.284	10	0		AGAERN
C=C/C=C\CC[C@@]1(O)CCCC1(C)C	713694746	572360704	/nfs/dbraw/zinc/36/07/04/572360704.db2.gz	NLFBPLHRVXSZOR-CFHLNLSMSA-N	0	0	194.318	3.450	10	0		AGAERN
C=C=CCCC[C@H]1CCCC[C@@H]1O	238673792	572360880	/nfs/dbraw/zinc/36/08/80/572360880.db2.gz	DTTHEAXXRXZAJU-RYUDHWBXSA-N	0	0	180.291	3.049	10	0		AGAERN
CCC(C)(C)Cn1cccc1C	713242211	572361379	/nfs/dbraw/zinc/36/13/79/572361379.db2.gz	XCESVDZPDINMFN-UHFFFAOYSA-N	0	0	165.280	3.233	10	0		AGAERN
CC[C@H](C)C(=O)[C@@H](C)CC(C)C	307998104	572361691	/nfs/dbraw/zinc/36/16/91/572361691.db2.gz	DVUBFTOGSVXIMQ-UWVGGRQHSA-N	0	0	170.296	3.284	10	0		AGAERN
C=C/C=C\CC[C@](O)(C(C)C)C1CC1	713696152	572361647	/nfs/dbraw/zinc/36/16/47/572361647.db2.gz	RFUAOCBCFQOGIF-SZZPACECSA-N	0	0	194.318	3.306	10	0		AGAERN
C=C/C=C/CC[C@@](O)(C(C)C)C1CC1	713696153	572362035	/nfs/dbraw/zinc/36/20/35/572362035.db2.gz	RFUAOCBCFQOGIF-URWSZGRFSA-N	0	0	194.318	3.306	10	0		AGAERN
CC[C@@H](C)C(=O)[C@H](C)CC(C)C	307998103	572362321	/nfs/dbraw/zinc/36/23/21/572362321.db2.gz	DVUBFTOGSVXIMQ-NXEZZACHSA-N	0	0	170.296	3.284	10	0		AGAERN
CC[C@H](C)C(=O)[C@H](C)CC(C)C	307998105	572362349	/nfs/dbraw/zinc/36/23/49/572362349.db2.gz	DVUBFTOGSVXIMQ-VHSXEESVSA-N	0	0	170.296	3.284	10	0		AGAERN
CC(C)C[C@H](C)[C@H](C)C[C@@H](C)O	307999979	572363515	/nfs/dbraw/zinc/36/35/15/572363515.db2.gz	GOKOLDNMMZRECO-HBNTYKKESA-N	0	0	172.312	3.076	10	0		AGAERN
CC[C@@H](C)SCc1cccnc1	307999917	572363827	/nfs/dbraw/zinc/36/38/27/572363827.db2.gz	YTKDASHMGPYKGY-SECBINFHSA-N	0	0	181.304	3.113	10	0		AGAERN
CCCC[C@@](O)(CCC)C1CC1	308000227	572363869	/nfs/dbraw/zinc/36/38/69/572363869.db2.gz	GQDLBUYQTMOWMN-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
CC(C)=C(C)Cc1cccc(N)c1	141022120	572363895	/nfs/dbraw/zinc/36/38/95/572363895.db2.gz	GBVPAVAMIJFKFU-UHFFFAOYSA-N	0	0	175.275	3.168	10	0		AGAERN
Cc1ccc(C)c2cc(O)ccc12	141017584	572364320	/nfs/dbraw/zinc/36/43/20/572364320.db2.gz	REJZWLIJXXEOGM-UHFFFAOYSA-N	0	0	172.227	3.162	10	0		AGAERN
CC(C)C[C@H](C)[C@@H](C)C[C@@H](C)O	307999977	572364918	/nfs/dbraw/zinc/36/49/18/572364918.db2.gz	GOKOLDNMMZRECO-GARJFASQSA-N	0	0	172.312	3.076	10	0		AGAERN
CC[C@H](C)SCc1cccnc1	307999918	572365128	/nfs/dbraw/zinc/36/51/28/572365128.db2.gz	YTKDASHMGPYKGY-VIFPVBQESA-N	0	0	181.304	3.113	10	0		AGAERN
CCC[C@@H](O)C(C(C)C)C(C)C	307998581	572365252	/nfs/dbraw/zinc/36/52/52/572365252.db2.gz	FCMNXLGBOOJHNP-SNVBAGLBSA-N	0	0	172.312	3.076	10	0		AGAERN
CC(C)C[C@H](C)[C@@H](C)C[C@H](C)O	307999974	572365304	/nfs/dbraw/zinc/36/53/04/572365304.db2.gz	GOKOLDNMMZRECO-DCAQKATOSA-N	0	0	172.312	3.076	10	0		AGAERN
CC(C)C[C@H](C)[C@H](C)C[C@H](C)O	307999972	572365535	/nfs/dbraw/zinc/36/55/35/572365535.db2.gz	GOKOLDNMMZRECO-AXFHLTTASA-N	0	0	172.312	3.076	10	0		AGAERN
CC(C)C[C@@H](C)c1ccc(N)cc1	141089282	572370969	/nfs/dbraw/zinc/37/09/69/572370969.db2.gz	ZUHGONGSFITTIW-SNVBAGLBSA-N	0	0	177.291	3.418	10	0		AGAERN
CCCC[C@](O)(CCC)C1CC1	308000225	572365987	/nfs/dbraw/zinc/36/59/87/572365987.db2.gz	GQDLBUYQTMOWMN-LLVKDONJSA-N	0	0	170.296	3.118	10	0		AGAERN
CCC[C@H](O)C(C(C)C)C(C)C	307998580	572366013	/nfs/dbraw/zinc/36/60/13/572366013.db2.gz	FCMNXLGBOOJHNP-JTQLQIEISA-N	0	0	172.312	3.076	10	0		AGAERN
CCC(=C[C@@H](O)c1ccccc1)CC	238220789	572366513	/nfs/dbraw/zinc/36/65/13/572366513.db2.gz	KPHMKLAPXPINNP-CYBMUJFWSA-N	0	0	190.286	3.466	10	0		AGAERN
O[C@@H]1C=C(Cl)CCCCCCC1	307993192	572366583	/nfs/dbraw/zinc/36/65/83/572366583.db2.gz	YQGAHHQEDDJWGQ-JTQLQIEISA-N	0	0	188.698	3.214	10	0		AGAERN
CCc1ccc2[nH]cc(C)c2c1	39439155	572367243	/nfs/dbraw/zinc/36/72/43/572367243.db2.gz	MRIKVXQKUGOAEL-UHFFFAOYSA-N	0	0	159.232	3.039	10	0		AGAERN
O[C@H]1C=C(Cl)CCCCCCC1	307993196	572367802	/nfs/dbraw/zinc/36/78/02/572367802.db2.gz	YQGAHHQEDDJWGQ-SNVBAGLBSA-N	0	0	188.698	3.214	10	0		AGAERN
CCCC[C@H](O)/C=C\C(C)(C)C	307992697	572368137	/nfs/dbraw/zinc/36/81/37/572368137.db2.gz	YLJKKSNFBWXMBW-QROTZFDESA-N	0	0	170.296	3.140	10	0		AGAERN
CCCC[C@H](O)/C=C/C(C)(C)C	307992696	572368286	/nfs/dbraw/zinc/36/82/86/572368286.db2.gz	YLJKKSNFBWXMBW-DDXVTDLHSA-N	0	0	170.296	3.140	10	0		AGAERN
CC/C(=C\CC[Si](C)(C)C)CO	307992637	572368498	/nfs/dbraw/zinc/36/84/98/572368498.db2.gz	YBODCSPIARVYRD-JXMROGBWSA-N	0	0	186.371	3.043	10	0		AGAERN
CCC(F)(F)c1ccc(OC)cc1	196948193	572368696	/nfs/dbraw/zinc/36/86/96/572368696.db2.gz	KOJGFSZGLKFRDX-UHFFFAOYSA-N	0	0	186.201	3.197	10	0		AGAERN
C=C/C=C/CC[C@]1(O)CCC[C@@H]2C[C@@H]21	713698154	572369090	/nfs/dbraw/zinc/36/90/90/572369090.db2.gz	ZKSPSXDVJYCUND-ZJCJBVLXSA-N	0	0	192.302	3.060	10	0		AGAERN
C=C=C(CCCC)[C@H](O)C(C)(C)C	238221611	572371940	/nfs/dbraw/zinc/37/19/40/572371940.db2.gz	NBSJBDBHBJOWAK-NSHDSACASA-N	0	0	182.307	3.295	10	0		AGAERN
CC(C)C[C@H](C)c1ccc(N)cc1	141089471	572369684	/nfs/dbraw/zinc/36/96/84/572369684.db2.gz	ZUHGONGSFITTIW-JTQLQIEISA-N	0	0	177.291	3.418	10	0		AGAERN
CCC(=C[C@H](O)c1ccccc1)CC	238220866	572369878	/nfs/dbraw/zinc/36/98/78/572369878.db2.gz	KPHMKLAPXPINNP-ZDUSSCGKSA-N	0	0	190.286	3.466	10	0		AGAERN
C/C=C\CC/C(C)=C/CCCO	307994127	572369901	/nfs/dbraw/zinc/36/99/01/572369901.db2.gz	ZXAZCRUPUFWSAT-XOXVZCPUSA-N	0	0	168.280	3.062	10	0		AGAERN
C/C=C/CC/C(C)=C\CCCO	307994130	572370219	/nfs/dbraw/zinc/37/02/19/572370219.db2.gz	ZXAZCRUPUFWSAT-XVRQLKFYSA-N	0	0	168.280	3.062	10	0		AGAERN
O[C@@H]1CCC=CCCCCCC1	307993777	572370334	/nfs/dbraw/zinc/37/03/34/572370334.db2.gz	ZHCUIYYFIRJONE-LLVKDONJSA-N	0	0	168.280	3.038	10	0		AGAERN
C=C/C=C\CC[C@]1(O)CCC[C@@H]2C[C@@H]21	713698152	572370354	/nfs/dbraw/zinc/37/03/54/572370354.db2.gz	ZKSPSXDVJYCUND-QYPKGILQSA-N	0	0	192.302	3.060	10	0		AGAERN
C/C=C\CC/C(C)=C\CCCO	307994124	572370512	/nfs/dbraw/zinc/37/05/12/572370512.db2.gz	ZXAZCRUPUFWSAT-GRKGQFRWSA-N	0	0	168.280	3.062	10	0		AGAERN
CCCCC/C=C\[C@H](O)C(C)C	307993799	572370994	/nfs/dbraw/zinc/37/09/94/572370994.db2.gz	ZJZFPVNCRPUONH-IQQGHNRFSA-N	0	0	170.296	3.140	10	0		AGAERN
CCCCC/C=C\[C@@H](O)C(C)C	307993802	572371287	/nfs/dbraw/zinc/37/12/87/572371287.db2.gz	ZJZFPVNCRPUONH-TYBABMIJSA-N	0	0	170.296	3.140	10	0		AGAERN
O[C@H]1CCC=CCCCCCC1	307993779	572371341	/nfs/dbraw/zinc/37/13/41/572371341.db2.gz	ZHCUIYYFIRJONE-NSHDSACASA-N	0	0	168.280	3.038	10	0		AGAERN
C=C=C(CCCC)[C@H](O)CC(C)C	238221621	572371468	/nfs/dbraw/zinc/37/14/68/572371468.db2.gz	XTHAFWCUEMXOHB-GFCCVEGCSA-N	0	0	182.307	3.295	10	0		AGAERN
C/C=C(\CC)[C@H](O)C/C=C/CC	238221644	572371404	/nfs/dbraw/zinc/37/14/04/572371404.db2.gz	OUEUBWGCHYFCLQ-XLGCAPAUSA-N	0	0	168.280	3.060	10	0		AGAERN
CC/C=C/C[C@@H](O)C1CCCCC1	238221672	572371496	/nfs/dbraw/zinc/37/14/96/572371496.db2.gz	IBQFMCWRCAVUHG-OGOUPESXSA-N	0	0	182.307	3.284	10	0		AGAERN
C=C=C(CCCC)[C@@H](O)CC(C)C	238221487	572373093	/nfs/dbraw/zinc/37/30/93/572373093.db2.gz	XTHAFWCUEMXOHB-LBPRGKRZSA-N	0	0	182.307	3.295	10	0		AGAERN
C=C=C(CCCC)[C@H](O)c1ccoc1	238221630	572371702	/nfs/dbraw/zinc/37/17/02/572371702.db2.gz	KXJZFVKVLFTEGP-LBPRGKRZSA-N	0	0	192.258	3.215	10	0		AGAERN
C=C=C(CCCC)[C@@H](CO)CCC	238221417	572371888	/nfs/dbraw/zinc/37/18/88/572371888.db2.gz	VKSSLCKAYBUAET-GFCCVEGCSA-N	0	0	182.307	3.297	10	0		AGAERN
CCCCC[C@@H]1C[C@H](C)C[C@@H](O)C1	238221438	572372006	/nfs/dbraw/zinc/37/20/06/572372006.db2.gz	BNSGRZHROQHRLQ-QJPTWQEYSA-N	0	0	184.323	3.364	10	0		AGAERN
C=C=C(CCCC)[C@H]1CCCC[C@H]1O	238221647	572372016	/nfs/dbraw/zinc/37/20/16/572372016.db2.gz	GVEQNCPTBMGWPQ-CHWSQXEVSA-N	0	0	194.318	3.439	10	0		AGAERN
C=CC=C=C(CCCC)[C@@H](O)C(C)C	238221844	572372082	/nfs/dbraw/zinc/37/20/82/572372082.db2.gz	LCBFTRKEDDEZPN-NCWAPJAISA-N	0	0	194.318	3.461	10	0		AGAERN
C=C=C(CCCC)[C@@H](O)C(C)(C)C	238221456	572372125	/nfs/dbraw/zinc/37/21/25/572372125.db2.gz	NBSJBDBHBJOWAK-LLVKDONJSA-N	0	0	182.307	3.295	10	0		AGAERN
C=C=C(CCCC)[C@@H]1CCCC[C@H]1O	238221553	572372212	/nfs/dbraw/zinc/37/22/12/572372212.db2.gz	GVEQNCPTBMGWPQ-QWHCGFSZSA-N	0	0	194.318	3.439	10	0		AGAERN
CC[C@H](CCCCCF)C(C)=O	307995199	572372598	/nfs/dbraw/zinc/37/25/98/572372598.db2.gz	BEIOGHFEPTVQRZ-SNVBAGLBSA-N	0	0	174.259	3.132	10	0		AGAERN
CC/C=C/C[C@H](O)C1CCCCC1	238222624	572372742	/nfs/dbraw/zinc/37/27/42/572372742.db2.gz	IBQFMCWRCAVUHG-PYEVWLCESA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)C(C)(C)C[C@@H](O)C1(C)CC1	713245287	572372825	/nfs/dbraw/zinc/37/28/25/572372825.db2.gz	XGYRQABPRCMZSS-SNVBAGLBSA-N	0	0	184.323	3.220	10	0		AGAERN
C/C(=C/C[C@H]1CCCC1(C)C)CO	210439864	572373221	/nfs/dbraw/zinc/37/32/21/572373221.db2.gz	RYAHIOOYTSBIOI-SDKXAQGSSA-N	0	0	182.307	3.141	10	0		AGAERN
CC/C=C/C[C@@H](O)c1ccc(C)cc1	238221862	572373505	/nfs/dbraw/zinc/37/35/05/572373505.db2.gz	YHEBRBDBTWCUGN-MUBLQREKSA-N	0	0	190.286	3.385	10	0		AGAERN
CC(C)(C)C/C=C1/CCCO1	206928336	572373600	/nfs/dbraw/zinc/37/36/00/572373600.db2.gz	YXXSGWVIFJCSPI-TWGQIWQCSA-N	0	0	154.253	3.117	10	0		AGAERN
CCC[C@H](CC)Nc1ccccc1O	238222637	572373725	/nfs/dbraw/zinc/37/37/25/572373725.db2.gz	GNDKQONPKWRUNI-JTQLQIEISA-N	0	0	193.290	3.383	10	0		AGAERN
C=C=C(CCCC)[C@H]1CCCC[C@@H]1O	238221642	572374150	/nfs/dbraw/zinc/37/41/50/572374150.db2.gz	GVEQNCPTBMGWPQ-OLZOCXBDSA-N	0	0	194.318	3.439	10	0		AGAERN
C=CC=C=C(CCCC)[C@H](O)C(C)C	238221875	572374235	/nfs/dbraw/zinc/37/42/35/572374235.db2.gz	LCBFTRKEDDEZPN-WCRCJTMVSA-N	0	0	194.318	3.461	10	0		AGAERN
CC/C=C/C[C@@H](O)/C=C/[Si](C)(C)C	238221845	572374551	/nfs/dbraw/zinc/37/45/51/572374551.db2.gz	LCBPKVIBGDXILG-ANTORYRESA-N	0	0	198.382	3.137	10	0		AGAERN
C=CC=C=C(CCCC)[C@@H](O)CC	238221861	572374600	/nfs/dbraw/zinc/37/46/00/572374600.db2.gz	NQLDPWNPESFPAQ-ACGXKRRESA-N	0	0	180.291	3.215	10	0		AGAERN
CC(C)C(C)(C)C[C@H](O)C1(C)CC1	713245281	572374780	/nfs/dbraw/zinc/37/47/80/572374780.db2.gz	XGYRQABPRCMZSS-JTQLQIEISA-N	0	0	184.323	3.220	10	0		AGAERN
C=C=C(CCCC)[C@H](CO)CCC	238221590	572374901	/nfs/dbraw/zinc/37/49/01/572374901.db2.gz	VKSSLCKAYBUAET-LBPRGKRZSA-N	0	0	182.307	3.297	10	0		AGAERN
C=C=C(CCCC)[C@@H]1CCCC[C@@H]1O	238221540	572375077	/nfs/dbraw/zinc/37/50/77/572375077.db2.gz	GVEQNCPTBMGWPQ-STQMWFEESA-N	0	0	194.318	3.439	10	0		AGAERN
C=CC=C=C(CCCC)[C@H](O)CC	238221882	572375114	/nfs/dbraw/zinc/37/51/14/572375114.db2.gz	NQLDPWNPESFPAQ-FFFFSGIJSA-N	0	0	180.291	3.215	10	0		AGAERN
C=C=C(CCCC)[C@@H](O)c1ccoc1	238221501	572375393	/nfs/dbraw/zinc/37/53/93/572375393.db2.gz	KXJZFVKVLFTEGP-GFCCVEGCSA-N	0	0	192.258	3.215	10	0		AGAERN
C/C(=C/C[C@@H]1CCCC1(C)C)CO	210439826	572375892	/nfs/dbraw/zinc/37/58/92/572375892.db2.gz	RYAHIOOYTSBIOI-YAEJEKNGSA-N	0	0	182.307	3.141	10	0		AGAERN
CCCCCC[C@@H](/C=C/F)CO	238222321	572376121	/nfs/dbraw/zinc/37/61/21/572376121.db2.gz	NTFDCJKJXHSHSH-JARNTUPDSA-N	0	0	174.259	3.049	10	0		AGAERN
CC1=CCC[C@@]2(C)C(=O)CC[C@]12C	196776946	572376149	/nfs/dbraw/zinc/37/61/49/572376149.db2.gz	XYRGPURDSMEMSZ-NEPJUHHUSA-N	0	0	178.275	3.102	10	0		AGAERN
C=C/C=C\CCNc1ccccc1	307996230	572376159	/nfs/dbraw/zinc/37/61/59/572376159.db2.gz	XVHOVLBAWSVBOA-ARJAWSKDSA-N	0	0	173.259	3.231	10	0		AGAERN
C1=C2c3cccn3C[C@H]2CCCC1	196776398	572376318	/nfs/dbraw/zinc/37/63/18/572376318.db2.gz	XIQITWAQLNCSLH-SNVBAGLBSA-N	0	0	173.259	3.075	10	0		AGAERN
CNc1cccc(-c2ccc(C)nc2)c1	234536371	572376331	/nfs/dbraw/zinc/37/63/31/572376331.db2.gz	AUCWUEOTJAVVCO-UHFFFAOYSA-N	0	0	198.269	3.099	10	0		AGAERN
CC1=CCC[C@@]2(C)C(=O)CC[C@@]12C	196776967	572376333	/nfs/dbraw/zinc/37/63/33/572376333.db2.gz	XYRGPURDSMEMSZ-RYUDHWBXSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1=C2CC[C@@H](C)[C@@H]2CC(=O)CC1	196764096	572376458	/nfs/dbraw/zinc/37/64/58/572376458.db2.gz	ZYOKWTFVIWCSCJ-SKDRFNHKSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1=CCC[C@@]2(C)CCC(=O)[C@@]12C	196777022	572376468	/nfs/dbraw/zinc/37/64/68/572376468.db2.gz	JCCZXXIRDUXEKS-NWDGAFQWSA-N	0	0	178.275	3.102	10	0		AGAERN
C1=C2c3cccn3C[C@@H]2CCCC1	196776408	572376599	/nfs/dbraw/zinc/37/65/99/572376599.db2.gz	XIQITWAQLNCSLH-JTQLQIEISA-N	0	0	173.259	3.075	10	0		AGAERN
CCCCCC[C@@H](C=C(F)F)CO	238222182	572376636	/nfs/dbraw/zinc/37/66/36/572376636.db2.gz	SXDJRNZWMBBSND-VIFPVBQESA-N	0	0	192.249	3.346	10	0		AGAERN
CC1=CCC[C@@]2(C)CCC(=O)[C@]12C	196776997	572376805	/nfs/dbraw/zinc/37/68/05/572376805.db2.gz	JCCZXXIRDUXEKS-RYUDHWBXSA-N	0	0	178.275	3.102	10	0		AGAERN
CCCCCC[C@H](O)C1=CC1(C)C	238224063	572376986	/nfs/dbraw/zinc/37/69/86/572376986.db2.gz	DINJHQZQMMMWPR-NSHDSACASA-N	0	0	182.307	3.284	10	0		AGAERN
CC1=CCC[C@]2(C)CCC(=O)[C@@]12C	196777037	572377858	/nfs/dbraw/zinc/37/78/58/572377858.db2.gz	JCCZXXIRDUXEKS-VXGBXAGGSA-N	0	0	178.275	3.102	10	0		AGAERN
CCCCCNc1cc(C)ccc1N	87149484	572377065	/nfs/dbraw/zinc/37/70/65/572377065.db2.gz	PAQXUAUNEIHUSI-UHFFFAOYSA-N	0	0	192.306	3.179	10	0		AGAERN
CCCCCC[C@H](O)C=C1CC1	238224107	572376920	/nfs/dbraw/zinc/37/69/20/572376920.db2.gz	WBVFPDJUHKLDBV-NSHDSACASA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)c1cccc(CCF)c1O	141087441	572377324	/nfs/dbraw/zinc/37/73/24/572377324.db2.gz	XYWGOQZAQZMESD-UHFFFAOYSA-N	0	0	182.238	3.028	10	0		AGAERN
CC1=CCC[C@]2(C)CCC(=O)[C@]12C	196777010	572377650	/nfs/dbraw/zinc/37/76/50/572377650.db2.gz	JCCZXXIRDUXEKS-NEPJUHHUSA-N	0	0	178.275	3.102	10	0		AGAERN
CCCCCNc1ccc(C)nc1C	87151609	572377881	/nfs/dbraw/zinc/37/78/81/572377881.db2.gz	UPCQEWVMRPTOST-UHFFFAOYSA-N	0	0	192.306	3.301	10	0		AGAERN
CCCCCC[C@H](O)/C(F)=C/F	238224021	572378370	/nfs/dbraw/zinc/37/83/70/572378370.db2.gz	GISBZOVVSHKFRJ-FUOZMLNRSA-N	0	0	178.222	3.098	10	0		AGAERN
CCC(CC)Nc1cccs1	76597774	572383801	/nfs/dbraw/zinc/38/38/01/572383801.db2.gz	LERONBFAXWHPQK-UHFFFAOYSA-N	0	0	169.293	3.349	10	0		AGAERN
c1cc2n(c1)CC1=C2CCCCC1	196776344	572378451	/nfs/dbraw/zinc/37/84/51/572378451.db2.gz	YOSYWFLIWXJGJX-UHFFFAOYSA-N	0	0	173.259	3.219	10	0		AGAERN
CC(C)N(c1ccccc1O)C(C)C	141055698	572378501	/nfs/dbraw/zinc/37/85/01/572378501.db2.gz	NDQGQDGAQPCYHL-UHFFFAOYSA-N	0	0	193.290	3.015	10	0		AGAERN
CCCCCC[C@H](O)C(C)=C(F)F	238223933	572378538	/nfs/dbraw/zinc/37/85/38/572378538.db2.gz	LSBRFQUSWQWXJN-VIFPVBQESA-N	0	0	192.249	3.488	10	0		AGAERN
CC1=CCC[C@]2(C)C(=O)CC[C@]12C	196776955	572378695	/nfs/dbraw/zinc/37/86/95/572378695.db2.gz	XYRGPURDSMEMSZ-VXGBXAGGSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1=CCC[C@]2(C)C(=O)CC[C@@]12C	196776976	572378876	/nfs/dbraw/zinc/37/88/76/572378876.db2.gz	XYRGPURDSMEMSZ-NWDGAFQWSA-N	0	0	178.275	3.102	10	0		AGAERN
CCCC[C@H](C)/C=C\CC(C)=O	206720263	572379342	/nfs/dbraw/zinc/37/93/42/572379342.db2.gz	ABYUMJDTUAIERY-ZEBCKKTISA-N	0	0	168.280	3.348	10	0		AGAERN
CCCCOCc1ccnc(Cl)c1	52726098	572379498	/nfs/dbraw/zinc/37/94/98/572379498.db2.gz	FYUSOBVWNQDMRK-UHFFFAOYSA-N	0	0	199.681	3.052	10	0		AGAERN
CCCC[C@@H](C)/C=C/CC(C)=O	206720222	572380083	/nfs/dbraw/zinc/38/00/83/572380083.db2.gz	ABYUMJDTUAIERY-QEHWCHDUSA-N	0	0	168.280	3.348	10	0		AGAERN
CCC(CC)[C@@](O)(CC)C(C)C	87158456	572379599	/nfs/dbraw/zinc/37/95/99/572379599.db2.gz	MYGMZHFQALGOIY-LLVKDONJSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC(CC)[C@H](CC)C(C)=O	87158138	572379570	/nfs/dbraw/zinc/37/95/70/572379570.db2.gz	WNHLKKGMVMIHBL-SNVBAGLBSA-N	0	0	156.269	3.038	10	0		AGAERN
CCC(CC)[C@]1(O)CC[C@@H](CC)C1	87158752	572379585	/nfs/dbraw/zinc/37/95/85/572379585.db2.gz	NNMUQIGODKMAMW-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(CC)[C@@](C)(O)c1ccccc1	87158362	572379758	/nfs/dbraw/zinc/37/97/58/572379758.db2.gz	XVXBQICTVSZXCD-CYBMUJFWSA-N	0	0	192.302	3.330	10	0		AGAERN
CCCC(=O)CC(CC)CC	87158126	572379789	/nfs/dbraw/zinc/37/97/89/572379789.db2.gz	CUTSIRPINULZTN-UHFFFAOYSA-N	0	0	156.269	3.182	10	0		AGAERN
CC/C=C/[C@H](CC)C/C(C)=C/CO	238224481	572379876	/nfs/dbraw/zinc/37/98/76/572379876.db2.gz	LNKKVFIBFGJVOA-VEZLKCMQSA-N	0	0	182.307	3.308	10	0		AGAERN
CCC(CC)[C@](C)(O)[C@H](C)CC	87158452	572380142	/nfs/dbraw/zinc/38/01/42/572380142.db2.gz	YCEUNQMNSGFKMG-MWLCHTKSSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC(CC)[C@@]1(O)CC[C@H](CC)C1	87158750	572379843	/nfs/dbraw/zinc/37/98/43/572379843.db2.gz	NNMUQIGODKMAMW-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(CC)[C@](C)(O)[C@@H](C)CC	87158455	572379830	/nfs/dbraw/zinc/37/98/30/572379830.db2.gz	YCEUNQMNSGFKMG-GXSJLCMTSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC(CC)Oc1ccc(N)c(C)c1	87155803	572379852	/nfs/dbraw/zinc/37/98/52/572379852.db2.gz	LAWVRPQBHUSXKK-UHFFFAOYSA-N	0	0	193.290	3.145	10	0		AGAERN
CC[C@@H](C)SCc1cccn1C	308005462	572379913	/nfs/dbraw/zinc/37/99/13/572379913.db2.gz	FYHVZJDBQAHNFO-SECBINFHSA-N	0	0	183.320	3.057	10	0		AGAERN
CC/C=C/C[C@H](O)c1ccc(C)cc1	238222768	572379915	/nfs/dbraw/zinc/37/99/15/572379915.db2.gz	YHEBRBDBTWCUGN-IHVVCDCBSA-N	0	0	190.286	3.385	10	0		AGAERN
CCC(CC)Oc1cccnc1Cl	87157419	572380967	/nfs/dbraw/zinc/38/09/67/572380967.db2.gz	BRGFCXOQHOTFTG-UHFFFAOYSA-N	0	0	199.681	3.302	10	0		AGAERN
CCCC[C@](CC)(CO)C(C)C	87155574	572380133	/nfs/dbraw/zinc/38/01/33/572380133.db2.gz	DDXBBUGPYFIUJE-LLVKDONJSA-N	0	0	172.312	3.221	10	0		AGAERN
CCC(CC)[C@@](C)(O)c1cccs1	87158504	572380194	/nfs/dbraw/zinc/38/01/94/572380194.db2.gz	DZBSYYFDRGIVRX-LLVKDONJSA-N	0	0	198.331	3.392	10	0		AGAERN
CCC(=O)[C@@H](C)C(CC)CC	87158205	572380298	/nfs/dbraw/zinc/38/02/98/572380298.db2.gz	QGWICBSPPIODGZ-QMMMGPOBSA-N	0	0	156.269	3.038	10	0		AGAERN
CCC(CC)[C@@H](C(C)=O)C(C)C	87158199	572380347	/nfs/dbraw/zinc/38/03/47/572380347.db2.gz	PGCPHNCQWOQABX-LLVKDONJSA-N	0	0	170.296	3.284	10	0		AGAERN
CCC(CC)[C@@H](O)[C@@H]1CC=CCC1	87158641	572380377	/nfs/dbraw/zinc/38/03/77/572380377.db2.gz	RDTVGEDBLDUZBD-VXGBXAGGSA-N	0	0	182.307	3.140	10	0		AGAERN
CCC(CC)[C@@H](CC)C(C)=O	87158136	572380420	/nfs/dbraw/zinc/38/04/20/572380420.db2.gz	WNHLKKGMVMIHBL-JTQLQIEISA-N	0	0	156.269	3.038	10	0		AGAERN
CC(C)=C[C@](C)(O)CCC(C)C	308005122	572380462	/nfs/dbraw/zinc/38/04/62/572380462.db2.gz	KROCWRWDPRHTEC-LLVKDONJSA-N	0	0	170.296	3.140	10	0		AGAERN
CCC(CC)Oc1cc(C)ccc1N	87155807	572380496	/nfs/dbraw/zinc/38/04/96/572380496.db2.gz	COXBUWHEMQJXFP-UHFFFAOYSA-N	0	0	193.290	3.145	10	0		AGAERN
Oc1ccc2c3c(cccc13)[C@@H]1C=C[C@@H]21	238676119	572380596	/nfs/dbraw/zinc/38/05/96/572380596.db2.gz	GTXHWBNCIVWABF-RKDXNWHRSA-N	0	0	194.233	3.296	10	0		AGAERN
CCC[C@H](CC)[C@H]1CCCC[C@@H]1O	238223059	572380677	/nfs/dbraw/zinc/38/06/77/572380677.db2.gz	RKSYPLHDADONEL-TUAOUCFPSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@H](C)[C@H](O)C(CC)CC	87158655	572380743	/nfs/dbraw/zinc/38/07/43/572380743.db2.gz	KDPMCEZJOHGWQU-ONGXEEELSA-N	0	0	172.312	3.220	10	0		AGAERN
CC(C)=C[C@@](C)(O)CCC(C)C	308005124	572380808	/nfs/dbraw/zinc/38/08/08/572380808.db2.gz	KROCWRWDPRHTEC-NSHDSACASA-N	0	0	170.296	3.140	10	0		AGAERN
Oc1ccc2c3c(cccc13)[C@@H]1C=C[C@H]21	238676159	572380834	/nfs/dbraw/zinc/38/08/34/572380834.db2.gz	GTXHWBNCIVWABF-BDAKNGLRSA-N	0	0	194.233	3.296	10	0		AGAERN
CCC(=O)[C@@H](C)CC(C)=C(C)C	238222937	572380841	/nfs/dbraw/zinc/38/08/41/572380841.db2.gz	BNXTWGLUDUXOBM-JTQLQIEISA-N	0	0	168.280	3.348	10	0		AGAERN
CCC(CC)[C@H](O)[C@H]1CC=CCC1	87158633	572380848	/nfs/dbraw/zinc/38/08/48/572380848.db2.gz	RDTVGEDBLDUZBD-RYUDHWBXSA-N	0	0	182.307	3.140	10	0		AGAERN
CCC(CC)[C@](C)(O)c1ccccc1	87158361	572380853	/nfs/dbraw/zinc/38/08/53/572380853.db2.gz	XVXBQICTVSZXCD-ZDUSSCGKSA-N	0	0	192.302	3.330	10	0		AGAERN
CCC(CC)C(O)C(CC)CC	87158576	572380929	/nfs/dbraw/zinc/38/09/29/572380929.db2.gz	WFNRABSIAGFCQH-UHFFFAOYSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@H](CC)[C@H](C)C(C)=O	238222992	572380931	/nfs/dbraw/zinc/38/09/31/572380931.db2.gz	WCUVWAUQFSXLFH-SCZZXKLOSA-N	0	0	156.269	3.038	10	0		AGAERN
CCC[C@H](CC)[C@@H]1CCCC[C@@H]1O	238222951	572380962	/nfs/dbraw/zinc/38/09/62/572380962.db2.gz	RKSYPLHDADONEL-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@@H](C)[C@H](O)C(CC)CC	87158653	572381006	/nfs/dbraw/zinc/38/10/06/572381006.db2.gz	KDPMCEZJOHGWQU-KOLCDFICSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCOCCSC(C)(C)C	308001028	572381090	/nfs/dbraw/zinc/38/10/90/572381090.db2.gz	ZPDSADVRMBDWKH-UHFFFAOYSA-N	0	0	190.352	3.335	10	0		AGAERN
CCC(CC)[C@](C)(O)c1cccs1	87158503	572381116	/nfs/dbraw/zinc/38/11/16/572381116.db2.gz	DZBSYYFDRGIVRX-NSHDSACASA-N	0	0	198.331	3.392	10	0		AGAERN
CCC(CC)Oc1cccc(C)c1N	87155819	572381194	/nfs/dbraw/zinc/38/11/94/572381194.db2.gz	NOARYYWKSUPEBE-UHFFFAOYSA-N	0	0	193.290	3.145	10	0		AGAERN
CCC(CC)[C@@](C)(O)[C@H](C)CC	87158449	572381205	/nfs/dbraw/zinc/38/12/05/572381205.db2.gz	YCEUNQMNSGFKMG-KOLCDFICSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC(CC)[C@](O)(CC)C(C)C	87158460	572381438	/nfs/dbraw/zinc/38/14/38/572381438.db2.gz	MYGMZHFQALGOIY-NSHDSACASA-N	0	0	172.312	3.220	10	0		AGAERN
CCC(CC)[C@H](O)CC(C)(C)C	87158660	572381445	/nfs/dbraw/zinc/38/14/45/572381445.db2.gz	BANMVQKPNHOOCF-SNVBAGLBSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC(CC)Oc1cccc(C=O)c1	87157424	572381448	/nfs/dbraw/zinc/38/14/48/572381448.db2.gz	GOJRVDLWNZJOFQ-UHFFFAOYSA-N	0	0	192.258	3.067	10	0		AGAERN
CCC(CC)Oc1cc(N)ccc1C	87155821	572381483	/nfs/dbraw/zinc/38/14/83/572381483.db2.gz	INLSJNCYPSSOFJ-UHFFFAOYSA-N	0	0	193.290	3.145	10	0		AGAERN
CCC[C@@H](C)[C@@H](O)C(CC)CC	87158657	572381507	/nfs/dbraw/zinc/38/15/07/572381507.db2.gz	KDPMCEZJOHGWQU-MWLCHTKSSA-N	0	0	172.312	3.220	10	0		AGAERN
CCc1ccc([C@H](O)C(CC)CC)o1	87158595	572381640	/nfs/dbraw/zinc/38/16/40/572381640.db2.gz	QLKJIDNQAXQBQF-GFCCVEGCSA-N	0	0	196.290	3.312	10	0		AGAERN
CC/C=C/C/C=C/CCCCO	238223103	572381786	/nfs/dbraw/zinc/38/17/86/572381786.db2.gz	VXJLDGPMMUUYAZ-FZWLCVONSA-N	0	0	168.280	3.062	10	0		AGAERN
CCC(CC)[C@]1(O)CC[C@H](CC)C1	87158754	572381900	/nfs/dbraw/zinc/38/19/00/572381900.db2.gz	NNMUQIGODKMAMW-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(CC)CC(=O)C(C)C	87158131	572381908	/nfs/dbraw/zinc/38/19/08/572381908.db2.gz	LGOKGHWMDJGIGC-UHFFFAOYSA-N	0	0	156.269	3.038	10	0		AGAERN
CC[C@H](C)SCc1cccn1C	308005463	572381909	/nfs/dbraw/zinc/38/19/09/572381909.db2.gz	FYHVZJDBQAHNFO-VIFPVBQESA-N	0	0	183.320	3.057	10	0		AGAERN
Oc1ccc2c3c(cccc13)[C@H]1C=C[C@@H]21	238676099	572381945	/nfs/dbraw/zinc/38/19/45/572381945.db2.gz	GTXHWBNCIVWABF-DTWKUNHWSA-N	0	0	194.233	3.296	10	0		AGAERN
CCC(CC)[C@@H](O)CC(C)(C)C	87158661	572381992	/nfs/dbraw/zinc/38/19/92/572381992.db2.gz	BANMVQKPNHOOCF-JTQLQIEISA-N	0	0	172.312	3.220	10	0		AGAERN
CCC(CC)[C@H](O)c1ccc(C)o1	87158538	572382222	/nfs/dbraw/zinc/38/22/22/572382222.db2.gz	KSIXOJLXJUMBCS-NSHDSACASA-N	0	0	182.263	3.058	10	0		AGAERN
CC/C=C/[C@H](CC)C[C@@H](O)CC	238224522	572382223	/nfs/dbraw/zinc/38/22/23/572382223.db2.gz	JNMSKVMPIBTHRI-IJUHFESZSA-N	0	0	170.296	3.140	10	0		AGAERN
CCC(CC)[C@@]1(O)CC[C@@H](CC)C1	87158748	572382227	/nfs/dbraw/zinc/38/22/27/572382227.db2.gz	NNMUQIGODKMAMW-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(CC)Oc1ccc(C=O)cc1	87157423	572382245	/nfs/dbraw/zinc/38/22/45/572382245.db2.gz	WQIOJZLYELVSQQ-UHFFFAOYSA-N	0	0	192.258	3.067	10	0		AGAERN
CCCC[C@@](CC)(CO)C(C)C	87155572	572382293	/nfs/dbraw/zinc/38/22/93/572382293.db2.gz	DDXBBUGPYFIUJE-NSHDSACASA-N	0	0	172.312	3.221	10	0		AGAERN
CCc1ccc([C@@H](O)C(CC)CC)o1	87158598	572382396	/nfs/dbraw/zinc/38/23/96/572382396.db2.gz	QLKJIDNQAXQBQF-LBPRGKRZSA-N	0	0	196.290	3.312	10	0		AGAERN
C=C=CC[C@@H](O)CCCCCC	238224304	572382435	/nfs/dbraw/zinc/38/24/35/572382435.db2.gz	FCJGDZWHTINRBX-LLVKDONJSA-N	0	0	168.280	3.049	10	0		AGAERN
CCC(CC)[C@H](C(C)=O)C(C)C	87158197	572382461	/nfs/dbraw/zinc/38/24/61/572382461.db2.gz	PGCPHNCQWOQABX-NSHDSACASA-N	0	0	170.296	3.284	10	0		AGAERN
CC/C=C/C[C@H](O)/C=C/[Si](C)(C)C	238222754	572382527	/nfs/dbraw/zinc/38/25/27/572382527.db2.gz	LCBPKVIBGDXILG-QJYIJJDKSA-N	0	0	198.382	3.137	10	0		AGAERN
CCC(CC)Oc1ccccc1C=O	87157431	572382572	/nfs/dbraw/zinc/38/25/72/572382572.db2.gz	XJMDCKIHYZZAHV-UHFFFAOYSA-N	0	0	192.258	3.067	10	0		AGAERN
CCC(CC)[C@@H](O)[C@H]1CC=CCC1	87158637	572382635	/nfs/dbraw/zinc/38/26/35/572382635.db2.gz	RDTVGEDBLDUZBD-NWDGAFQWSA-N	0	0	182.307	3.140	10	0		AGAERN
CCC(CC)[C@@H](O)c1ccc(C)o1	87158540	572382711	/nfs/dbraw/zinc/38/27/11/572382711.db2.gz	KSIXOJLXJUMBCS-LLVKDONJSA-N	0	0	182.263	3.058	10	0		AGAERN
CCC(CC)Oc1cccc(O)c1C	87157967	572382780	/nfs/dbraw/zinc/38/27/80/572382780.db2.gz	PJAONFTWBVEDDX-UHFFFAOYSA-N	0	0	194.274	3.268	10	0		AGAERN
CCC[C@H](C)[C@@H](O)C(CC)CC	87158659	572382836	/nfs/dbraw/zinc/38/28/36/572382836.db2.gz	KDPMCEZJOHGWQU-GXSJLCMTSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC(CC)[C@H](O)[C@@H]1CC=CCC1	87158639	572382874	/nfs/dbraw/zinc/38/28/74/572382874.db2.gz	RDTVGEDBLDUZBD-NEPJUHHUSA-N	0	0	182.307	3.140	10	0		AGAERN
CCCCC(=O)CCC=C(C)C	238223112	572382992	/nfs/dbraw/zinc/38/29/92/572382992.db2.gz	KZSXZAGKEHIQTC-UHFFFAOYSA-N	0	0	168.280	3.492	10	0		AGAERN
C=C=CCCC[C@@H]1CCCC[C@@H]1O	238678157	572383001	/nfs/dbraw/zinc/38/30/01/572383001.db2.gz	DTTHEAXXRXZAJU-NEPJUHHUSA-N	0	0	180.291	3.049	10	0		AGAERN
CC(C)C(=O)CCCCCCF	308005935	572383039	/nfs/dbraw/zinc/38/30/39/572383039.db2.gz	LPJHXGCDIJADGP-UHFFFAOYSA-N	0	0	174.259	3.132	10	0		AGAERN
CCC(CC)[C@@H](C)CC(C)=O	87174529	572383120	/nfs/dbraw/zinc/38/31/20/572383120.db2.gz	MSVHBQJSMSWTPQ-QMMMGPOBSA-N	0	0	156.269	3.038	10	0		AGAERN
O=Cc1ccccc1C1C=CC=CC=C1	238680044	572383292	/nfs/dbraw/zinc/38/32/92/572383292.db2.gz	XFYQEBJUGYUZQJ-UHFFFAOYSA-N	0	0	196.249	3.265	10	0		AGAERN
COc1ccc2c(c1)CC/C2=C/Cl	308001885	572383421	/nfs/dbraw/zinc/38/34/21/572383421.db2.gz	WGMYOEVEKKMCCX-CLFYSBASSA-N	0	0	194.661	3.221	10	0		AGAERN
CCCCCC[C@H](O)[C@@H]1C=CCC1	238225534	572383663	/nfs/dbraw/zinc/38/36/63/572383663.db2.gz	BKDOFFDFJJZGRX-NEPJUHHUSA-N	0	0	182.307	3.284	10	0		AGAERN
CCCCCC[C@H](O)[C@H]1C=CCC1	238225243	572383747	/nfs/dbraw/zinc/38/37/47/572383747.db2.gz	BKDOFFDFJJZGRX-RYUDHWBXSA-N	0	0	182.307	3.284	10	0		AGAERN
Cc1cccc([C@@H]2CCCC2=O)c1C	60710865	572383760	/nfs/dbraw/zinc/38/37/60/572383760.db2.gz	FEZSZYVQBMMPTF-LBPRGKRZSA-N	0	0	188.270	3.140	10	0		AGAERN
CCC(CC)CCC(=O)C1CC1	87174508	572383816	/nfs/dbraw/zinc/38/38/16/572383816.db2.gz	FTFYXGGXINQWAU-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCC(=C=CCO)c1ccccc1	238223653	572383988	/nfs/dbraw/zinc/38/39/88/572383988.db2.gz	XGGLTMPQPQZLSF-UHFFFAOYSA-N	0	0	188.270	3.018	10	0		AGAERN
CCC(CC)C(C)(C)CC(C)=O	87174538	572384184	/nfs/dbraw/zinc/38/41/84/572384184.db2.gz	XSOQQGNTRUKMBG-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
CCCc1nccn1C(CC)CC	87174338	572384361	/nfs/dbraw/zinc/38/43/61/572384361.db2.gz	JNKKELVXEWBRQS-UHFFFAOYSA-N	0	0	180.295	3.197	10	0		AGAERN
CCCCCC[C@H]1CC(C)=C[C@@H](O)O1	238226194	572384616	/nfs/dbraw/zinc/38/46/16/572384616.db2.gz	XANCNSHDNINJOK-RYUDHWBXSA-N	0	0	198.306	3.010	10	0		AGAERN
CCCCCC[C@@H]1C=CNC(=S)C1	238226172	572384778	/nfs/dbraw/zinc/38/47/78/572384778.db2.gz	UTKUZPBMGIYDJQ-SNVBAGLBSA-N	0	0	197.347	3.407	10	0		AGAERN
CCC(CC)[C@H](C)CC(C)=O	87174531	572384981	/nfs/dbraw/zinc/38/49/81/572384981.db2.gz	MSVHBQJSMSWTPQ-MRVPVSSYSA-N	0	0	156.269	3.038	10	0		AGAERN
CCC(CC)CCC(=O)C(C)C	87174505	572385695	/nfs/dbraw/zinc/38/56/95/572385695.db2.gz	GWSXMDATMDTKQS-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
CC(C)[C@H](C)/C=C/CCCCCO	238225298	572385713	/nfs/dbraw/zinc/38/57/13/572385713.db2.gz	XSWPVELFMOAQHD-YPUOHESYSA-N	0	0	184.323	3.387	10	0		AGAERN
C1=C(c2ccc(-c3ccccc3)cc2)N1	238686743	572387147	/nfs/dbraw/zinc/38/71/47/572387147.db2.gz	MXFIIBJDJHZTIF-UHFFFAOYSA-N	0	0	193.249	3.255	10	0		AGAERN
C1=CNc2oc(-c3ccccc3)cc2N1	238686598	572385848	/nfs/dbraw/zinc/38/58/48/572385848.db2.gz	IJTUCIYNEBNQTR-UHFFFAOYSA-N	0	0	198.225	3.255	10	0		AGAERN
CC[C@@H](C)[C@H](CO)c1ccc(C)cc1	87176541	572387154	/nfs/dbraw/zinc/38/71/54/572387154.db2.gz	UPFLUTOHIDERML-YPMHNXCESA-N	0	0	192.302	3.117	10	0		AGAERN
C/C=C\[C@H](C)[C@@H](O)CCCCC	308005968	572385987	/nfs/dbraw/zinc/38/59/87/572385987.db2.gz	LSWAXKXDQGRFMU-ZSDATDQRSA-N	0	0	170.296	3.140	10	0		AGAERN
C/C=C/[C@H](C)[C@H](O)CCCCC	308005966	572386014	/nfs/dbraw/zinc/38/60/14/572386014.db2.gz	LSWAXKXDQGRFMU-DBWQMSJVSA-N	0	0	170.296	3.140	10	0		AGAERN
O=Cc1c2cccccc-2c2c1CCC2	238686243	572386104	/nfs/dbraw/zinc/38/61/04/572386104.db2.gz	XNEBYWBYEYBBHW-UHFFFAOYSA-N	0	0	196.249	3.093	10	0		AGAERN
Cc1cccc([C@H]2CCCC2=O)c1C	60710871	572386223	/nfs/dbraw/zinc/38/62/23/572386223.db2.gz	FEZSZYVQBMMPTF-GFCCVEGCSA-N	0	0	188.270	3.140	10	0		AGAERN
C/C=C\[C@H](C)[C@H](O)CCCCC	308005964	572386365	/nfs/dbraw/zinc/38/63/65/572386365.db2.gz	LSWAXKXDQGRFMU-CGBBGSNDSA-N	0	0	170.296	3.140	10	0		AGAERN
c1ccc(-c2c[nH]c3cccnc23)cc1	238686202	572386390	/nfs/dbraw/zinc/38/63/90/572386390.db2.gz	DXJFWRGMIGRYFA-UHFFFAOYSA-N	0	0	194.237	3.230	10	0		AGAERN
CCC[C@](C)(CO)C(CC)CC	87176108	572387222	/nfs/dbraw/zinc/38/72/22/572387222.db2.gz	PHGRRGKQZBVMNE-LLVKDONJSA-N	0	0	172.312	3.221	10	0		AGAERN
CCC(CC)C1(CO)CCCCC1	87176085	572386587	/nfs/dbraw/zinc/38/65/87/572386587.db2.gz	OVJCLVQBFPQUIA-UHFFFAOYSA-N	0	0	184.323	3.365	10	0		AGAERN
CC[C@@H](C)[C@@H](CO)c1ccc(C)cc1	87176537	572387224	/nfs/dbraw/zinc/38/72/24/572387224.db2.gz	UPFLUTOHIDERML-DGCLKSJQSA-N	0	0	192.302	3.117	10	0		AGAERN
C/C=C/[C@H](C)[C@@H](O)CCCCC	308005967	572386664	/nfs/dbraw/zinc/38/66/64/572386664.db2.gz	LSWAXKXDQGRFMU-VAZREYJMSA-N	0	0	170.296	3.140	10	0		AGAERN
CC[C@@H](C)[C@H](CO)c1ccccc1C	87176514	572387186	/nfs/dbraw/zinc/38/71/86/572387186.db2.gz	XTIHLNSVJYURRB-MFKMUULPSA-N	0	0	192.302	3.117	10	0		AGAERN
CC[C@@H](C)[C@@H](CO)c1cccc(C)c1	87176523	572386770	/nfs/dbraw/zinc/38/67/70/572386770.db2.gz	XJCBKAHVRDXXGI-DGCLKSJQSA-N	0	0	192.302	3.117	10	0		AGAERN
CC[C@H](C)[C@H](CO)c1ccccc1C	87176517	572386791	/nfs/dbraw/zinc/38/67/91/572386791.db2.gz	XTIHLNSVJYURRB-GWCFXTLKSA-N	0	0	192.302	3.117	10	0		AGAERN
CCCCCC[C@H]1CC=CC(=S)N1	238226245	572386794	/nfs/dbraw/zinc/38/67/94/572386794.db2.gz	RWPARCVCPAUWOP-JTQLQIEISA-N	0	0	197.347	3.202	10	0		AGAERN
CCC(CC)[C@@H](CO)CC(C)C	87176212	572386796	/nfs/dbraw/zinc/38/67/96/572386796.db2.gz	ICQFXQGKNQCDKQ-LLVKDONJSA-N	0	0	172.312	3.077	10	0		AGAERN
CC[C@H](C)[C@H](CO)c1ccc(C)cc1	87176543	572386802	/nfs/dbraw/zinc/38/68/02/572386802.db2.gz	UPFLUTOHIDERML-AAEUAGOBSA-N	0	0	192.302	3.117	10	0		AGAERN
CC[C@@H](C)[C@H](CO)c1cccc(C)c1	87176527	572387048	/nfs/dbraw/zinc/38/70/48/572387048.db2.gz	XJCBKAHVRDXXGI-YPMHNXCESA-N	0	0	192.302	3.117	10	0		AGAERN
C=C/C=C\CCC(=O)[C@]1(C)C[C@H]1C	713700542	572387346	/nfs/dbraw/zinc/38/73/46/572387346.db2.gz	LFGIYBVAJDRKQH-FNSKHJIESA-N	0	0	178.275	3.124	10	0		AGAERN
CCC(CC)[C@H](CO)CC(C)C	87176209	572387429	/nfs/dbraw/zinc/38/74/29/572387429.db2.gz	ICQFXQGKNQCDKQ-NSHDSACASA-N	0	0	172.312	3.077	10	0		AGAERN
CC[C@H](C)[C@@H](CO)c1ccccc1C	87176512	572387520	/nfs/dbraw/zinc/38/75/20/572387520.db2.gz	XTIHLNSVJYURRB-GXFFZTMASA-N	0	0	192.302	3.117	10	0		AGAERN
CCOCOc1ccc(C(C)C)cc1	83756652	572388677	/nfs/dbraw/zinc/38/86/77/572388677.db2.gz	HUUJBJUDRIPDBF-UHFFFAOYSA-N	0	0	194.274	3.183	10	0		AGAERN
CC[C@H](C)[C@H](CO)c1cccc(C)c1	87176530	572387617	/nfs/dbraw/zinc/38/76/17/572387617.db2.gz	XJCBKAHVRDXXGI-AAEUAGOBSA-N	0	0	192.302	3.117	10	0		AGAERN
CCC(CC)C(C)(C)C[C@H](C)O	87175094	572387752	/nfs/dbraw/zinc/38/77/52/572387752.db2.gz	PEJNTFANQMPRTJ-VIFPVBQESA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@H](O)CCC(CC)CC	87175047	572387851	/nfs/dbraw/zinc/38/78/51/572387851.db2.gz	ARHKZPFODFPRFC-NSHDSACASA-N	0	0	172.312	3.364	10	0		AGAERN
CCCC(=O)C(C)(C)C(C)(C)C	238224773	572387909	/nfs/dbraw/zinc/38/79/09/572387909.db2.gz	DLHPRGLSLVPWLQ-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
CCC(CC)C(C)(C)C[C@@H](C)O	87175092	572387959	/nfs/dbraw/zinc/38/79/59/572387959.db2.gz	PEJNTFANQMPRTJ-SECBINFHSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@@](C)(CO)C(CC)CC	87176106	572387988	/nfs/dbraw/zinc/38/79/88/572387988.db2.gz	PHGRRGKQZBVMNE-NSHDSACASA-N	0	0	172.312	3.221	10	0		AGAERN
CC[C@H](C)[C@@H](CO)c1cccc(C)c1	87176526	572388025	/nfs/dbraw/zinc/38/80/25/572388025.db2.gz	XJCBKAHVRDXXGI-WCQYABFASA-N	0	0	192.302	3.117	10	0		AGAERN
C=C/C=C/CCC(=O)[C@]1(C)C[C@H]1C	713700548	572388075	/nfs/dbraw/zinc/38/80/75/572388075.db2.gz	LFGIYBVAJDRKQH-PLWSPRCSSA-N	0	0	178.275	3.124	10	0		AGAERN
CC1=CC(C)(C)[C@H](CCCCO)C1	238225054	572388708	/nfs/dbraw/zinc/38/87/08/572388708.db2.gz	WOQZBPZMNJTGJD-LLVKDONJSA-N	0	0	182.307	3.141	10	0		AGAERN
CCC/C=C\c1ccc(O)c(OC)c1	206835804	572388336	/nfs/dbraw/zinc/38/83/36/572388336.db2.gz	AGNOBTAOKUHUBE-WAYWQWQTSA-N	0	0	192.258	3.214	10	0		AGAERN
C=C/C=C\CCC(=O)[C@]1(C)C[C@@H]1C	713700550	572388275	/nfs/dbraw/zinc/38/82/75/572388275.db2.gz	LFGIYBVAJDRKQH-UHGNHILRSA-N	0	0	178.275	3.124	10	0		AGAERN
CCC(CC)[C@H](CO)c1ccccc1	87176240	572388292	/nfs/dbraw/zinc/38/82/92/572388292.db2.gz	KQUQYXVBIBJNHB-ZDUSSCGKSA-N	0	0	192.302	3.199	10	0		AGAERN
CCC(CC)[C@@H](CO)c1ccccc1	87176237	572388405	/nfs/dbraw/zinc/38/84/05/572388405.db2.gz	KQUQYXVBIBJNHB-CYBMUJFWSA-N	0	0	192.302	3.199	10	0		AGAERN
CC[C@@H](C)[C@@H](CO)c1ccccc1C	87176510	572388522	/nfs/dbraw/zinc/38/85/22/572388522.db2.gz	XTIHLNSVJYURRB-ZWNOBZJWSA-N	0	0	192.302	3.117	10	0		AGAERN
CCC(C)(C)C[C@](C)(O)CC1CC1	713246218	572388581	/nfs/dbraw/zinc/38/85/81/572388581.db2.gz	LAEDXSNNZKDOML-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(CC)Oc1cccc(F)c1	87175425	572388615	/nfs/dbraw/zinc/38/86/15/572388615.db2.gz	GSMGZKVENVYTBX-UHFFFAOYSA-N	0	0	182.238	3.393	10	0		AGAERN
CCC(CC)Oc1ccccc1F	87175406	572388618	/nfs/dbraw/zinc/38/86/18/572388618.db2.gz	QNAISCCVQTVWHQ-UHFFFAOYSA-N	0	0	182.238	3.393	10	0		AGAERN
CC[C@H](C)[C@@H](CO)c1ccc(C)cc1	87176539	572388774	/nfs/dbraw/zinc/38/87/74/572388774.db2.gz	UPFLUTOHIDERML-WCQYABFASA-N	0	0	192.302	3.117	10	0		AGAERN
CCC(CC)CC[C@@H](O)C(C)C	87175063	572388803	/nfs/dbraw/zinc/38/88/03/572388803.db2.gz	BFHBVLACTWCHMA-LLVKDONJSA-N	0	0	172.312	3.220	10	0		AGAERN
C=C/C=C/C[C@@H](O)C1CCCCC1	238684871	572388823	/nfs/dbraw/zinc/38/88/23/572388823.db2.gz	GKBZNWRYTQGSQO-OGOUPESXSA-N	0	0	180.291	3.060	10	0		AGAERN
CCC(CC)Oc1ccc(F)cc1	87175415	572388847	/nfs/dbraw/zinc/38/88/47/572388847.db2.gz	WBRWANDGXLGSSA-UHFFFAOYSA-N	0	0	182.238	3.393	10	0		AGAERN
CC/C=C/[C@H](O)[C@H](C)c1ccccc1	238224722	572388898	/nfs/dbraw/zinc/38/88/98/572388898.db2.gz	YTGMTIFOLSSBHH-KVBBSTJLSA-N	0	0	190.286	3.117	10	0		AGAERN
CCC(CC)CC[C@H](O)C(C)C	87175060	572389030	/nfs/dbraw/zinc/38/90/30/572389030.db2.gz	BFHBVLACTWCHMA-NSHDSACASA-N	0	0	172.312	3.220	10	0		AGAERN
CCCC(=O)C(C(C)C)C(C)C	238224746	572389229	/nfs/dbraw/zinc/38/92/29/572389229.db2.gz	KRUFOQHOUVEIKL-UHFFFAOYSA-N	0	0	170.296	3.284	10	0		AGAERN
CC1=CC(C)(C)[C@@H](CCCCO)C1	238224705	572389298	/nfs/dbraw/zinc/38/92/98/572389298.db2.gz	WOQZBPZMNJTGJD-NSHDSACASA-N	0	0	182.307	3.141	10	0		AGAERN
CC/C=C/[C@H](O)[C@@H](C)c1ccccc1	238224696	572389366	/nfs/dbraw/zinc/38/93/66/572389366.db2.gz	YTGMTIFOLSSBHH-IQNCIHRNSA-N	0	0	190.286	3.117	10	0		AGAERN
CCOCOc1ccccc1C(C)C	83756653	572389994	/nfs/dbraw/zinc/38/99/94/572389994.db2.gz	LSCLLJJLVHSHAL-UHFFFAOYSA-N	0	0	194.274	3.183	10	0		AGAERN
C=C=CCCC[C@@H](O)c1ccccc1	238701143	572390222	/nfs/dbraw/zinc/39/02/22/572390222.db2.gz	IBXPXMJWODZMIM-CYBMUJFWSA-N	0	0	188.270	3.231	10	0		AGAERN
CC(C)O/C=C/CC1(O)CCCCC1	206801803	572390603	/nfs/dbraw/zinc/39/06/03/572390603.db2.gz	UTPCOWBLPFRNCS-UXBLZVDNSA-N	0	0	198.306	3.010	10	0		AGAERN
C=C/C=C(\C)[C@@H](CCCO)C(C)C	238228500	572390653	/nfs/dbraw/zinc/39/06/53/572390653.db2.gz	UDJFAVSFELAVHJ-VNKGSWCUSA-N	0	0	182.307	3.163	10	0		AGAERN
CC(C)O/C=C\CC1(O)CCCCC1	206801762	572390732	/nfs/dbraw/zinc/39/07/32/572390732.db2.gz	UTPCOWBLPFRNCS-POHAHGRESA-N	0	0	198.306	3.010	10	0		AGAERN
CCCC(=O)CC[C@@H](C)C(C)C	238228101	572391016	/nfs/dbraw/zinc/39/10/16/572391016.db2.gz	CSDMOFNXOHHCOC-SNVBAGLBSA-N	0	0	170.296	3.428	10	0		AGAERN
CNc1cccc(-c2ccnc(C)c2)c1	234537938	572391419	/nfs/dbraw/zinc/39/14/19/572391419.db2.gz	FRROPYAXKOEJOP-UHFFFAOYSA-N	0	0	198.269	3.099	10	0		AGAERN
CC[C@@H](C)SCc1cc(C)no1	308006867	572391476	/nfs/dbraw/zinc/39/14/76/572391476.db2.gz	HVAGTGRYFUEOFM-MRVPVSSYSA-N	0	0	185.292	3.015	10	0		AGAERN
CC/C=C(\CCC)c1cnc(N)s1	308007000	572391531	/nfs/dbraw/zinc/39/15/31/572391531.db2.gz	DXDIRZQLZPXZJU-VMPITWQZSA-N	0	0	196.319	3.319	10	0		AGAERN
CCCCCC[C@H]1C[C@H]1C(C)=O	238227361	572391621	/nfs/dbraw/zinc/39/16/21/572391621.db2.gz	HTAKKUXRMWOYCD-QWRGUYRKSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1cccc(C)c1NC1CCC1	76600966	572391680	/nfs/dbraw/zinc/39/16/80/572391680.db2.gz	FEXUTKXUYBSEIC-UHFFFAOYSA-N	0	0	175.275	3.268	10	0		AGAERN
CCC(=O)[C@@](C)(CC)C(C)(C)C	238228469	572391689	/nfs/dbraw/zinc/39/16/89/572391689.db2.gz	CCWVUFWMHPTLHE-LLVKDONJSA-N	0	0	170.296	3.428	10	0		AGAERN
CC[C@H](C)SCc1cc(C)no1	308006871	572391896	/nfs/dbraw/zinc/39/18/96/572391896.db2.gz	HVAGTGRYFUEOFM-QMMMGPOBSA-N	0	0	185.292	3.015	10	0		AGAERN
CCC/C(C)=C\C(=O)OC(C)(C)C	206809387	572392084	/nfs/dbraw/zinc/39/20/84/572392084.db2.gz	LHUDHPMCGYPMGU-HJWRWDBZSA-N	0	0	184.279	3.075	10	0		AGAERN
C/C=C\CCC[C@@H](O)CC(C)C	206810384	572392146	/nfs/dbraw/zinc/39/21/46/572392146.db2.gz	UYBATNMJHDKGHU-DOGVGXBMSA-N	0	0	170.296	3.140	10	0		AGAERN
CCC(C)(C)C[C@@](C)(O)CC1CC1	713246222	572392687	/nfs/dbraw/zinc/39/26/87/572392687.db2.gz	LAEDXSNNZKDOML-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC=C=C(C)CC(=O)CCC	238227236	572392745	/nfs/dbraw/zinc/39/27/45/572392745.db2.gz	RHUFTYPJJGGREL-UHFFFAOYSA-N	0	0	166.264	3.257	10	0		AGAERN
CCCCCC[C@@H]1C=CCC(=S)N1	238227607	572393345	/nfs/dbraw/zinc/39/33/45/572393345.db2.gz	YEUASCKEVABJRV-SNVBAGLBSA-N	0	0	197.347	3.202	10	0		AGAERN
CCCCCC[C@H]1C[C@@H]1C(C)=O	238227097	572393757	/nfs/dbraw/zinc/39/37/57/572393757.db2.gz	HTAKKUXRMWOYCD-WDEREUQCSA-N	0	0	168.280	3.182	10	0		AGAERN
C/C=C\c1ccc(O)c(OC(C)C)c1	210530119	572394087	/nfs/dbraw/zinc/39/40/87/572394087.db2.gz	PNFIZLXNKLSOAQ-PLNGDYQASA-N	0	0	192.258	3.213	10	0		AGAERN
CCC(C)(C)C[C@]1(O)C[C@H](C)[C@@H]1C	713246730	572394231	/nfs/dbraw/zinc/39/42/31/572394231.db2.gz	MUWNZPWTJLAMCB-JBLDHEPKSA-N	0	0	184.323	3.220	10	0		AGAERN
CNc1cccc(-c2cncc(C)c2)c1	234538423	572394368	/nfs/dbraw/zinc/39/43/68/572394368.db2.gz	WJUCHFVAJQPGNN-UHFFFAOYSA-N	0	0	198.269	3.099	10	0		AGAERN
CCC(CC)Oc1ccc(NC)cc1	87171500	572394745	/nfs/dbraw/zinc/39/47/45/572394745.db2.gz	LEOQLOUCYFTHDJ-UHFFFAOYSA-N	0	0	193.290	3.296	10	0		AGAERN
CNc1cccc(-c2cnccc2C)c1	234538643	572394764	/nfs/dbraw/zinc/39/47/64/572394764.db2.gz	QUNQVFWMAMTUCF-UHFFFAOYSA-N	0	0	198.269	3.099	10	0		AGAERN
CC(C)CCC(=O)[C@H]1CC[C@@H](C)C1	83784402	572394938	/nfs/dbraw/zinc/39/49/38/572394938.db2.gz	NKVNGXASSBXJNO-MNOVXSKESA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(CC)[C@@H](C(C)C)[C@H](C)O	87171701	572395001	/nfs/dbraw/zinc/39/50/01/572395001.db2.gz	XMYCXKSPHNFXMK-ONGXEEELSA-N	0	0	172.312	3.076	10	0		AGAERN
CCC(CC)[C@H](O)[C@@H]1CC[C@H](C)C1	87169618	572395018	/nfs/dbraw/zinc/39/50/18/572395018.db2.gz	SCTSWXBMVXOIKX-WCQGTBRESA-N	0	0	184.323	3.220	10	0		AGAERN
CCC(CC)C(=O)c1cccc(C)n1	87169245	572395211	/nfs/dbraw/zinc/39/52/11/572395211.db2.gz	RMQYCGXZDSGFAV-UHFFFAOYSA-N	0	0	191.274	3.009	10	0		AGAERN
CCC(CC)C(=O)CSC(C)C	87169281	572395245	/nfs/dbraw/zinc/39/52/45/572395245.db2.gz	CSCMHXOZXMGIEE-UHFFFAOYSA-N	0	0	188.336	3.133	10	0		AGAERN
CCC(CC)[C@H](C(C)C)[C@H](C)O	87171703	572395250	/nfs/dbraw/zinc/39/52/50/572395250.db2.gz	XMYCXKSPHNFXMK-GXSJLCMTSA-N	0	0	172.312	3.076	10	0		AGAERN
CCC(CC)C(=O)[C@@H]1CC[C@@H](C)C1	87169338	572395487	/nfs/dbraw/zinc/39/54/87/572395487.db2.gz	SHQZYYWITPLODL-MWLCHTKSSA-N	0	0	182.307	3.428	10	0		AGAERN
CCCCC(=O)[C@H]1CC[C@H](C)C1	83784586	572395506	/nfs/dbraw/zinc/39/55/06/572395506.db2.gz	YISMHYNTLKTQIC-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC(CC)[C@H](C(C)C)[C@@H](C)O	87171699	572395569	/nfs/dbraw/zinc/39/55/69/572395569.db2.gz	XMYCXKSPHNFXMK-MWLCHTKSSA-N	0	0	172.312	3.076	10	0		AGAERN
CCCCC[C@H](O)[C@H]1CC[C@H](C)C1	83785617	572395589	/nfs/dbraw/zinc/39/55/89/572395589.db2.gz	HUEBBVILOKQJKX-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(C)(C)C[C@]1(O)C[C@@H](C)[C@@H]1C	713246732	572395609	/nfs/dbraw/zinc/39/56/09/572395609.db2.gz	MUWNZPWTJLAMCB-JFGNBEQYSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H](C)CC(=O)[C@@H]1CC[C@H](C)C1	83784932	572395732	/nfs/dbraw/zinc/39/57/32/572395732.db2.gz	SOFJPXWFOBMTJL-GARJFASQSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(CC)C(=O)CCC(C)C	87169195	572395802	/nfs/dbraw/zinc/39/58/02/572395802.db2.gz	ZKYKXXHQXQYIMN-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
CCCCC(=O)c1c(C)[nH]c(C)c1C	238229326	572395858	/nfs/dbraw/zinc/39/58/58/572395858.db2.gz	ABTVVQVHDASWQI-UHFFFAOYSA-N	0	0	193.290	3.313	10	0		AGAERN
CCCCC(=O)[C@@H]1CC[C@H](C)C1	83784583	572395900	/nfs/dbraw/zinc/39/59/00/572395900.db2.gz	YISMHYNTLKTQIC-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)CCC(=O)[C@H]1CC[C@H](C)C1	83784403	572395939	/nfs/dbraw/zinc/39/59/39/572395939.db2.gz	NKVNGXASSBXJNO-QWRGUYRKSA-N	0	0	182.307	3.428	10	0		AGAERN
CCCCC(=O)[C@@H]1CC[C@@H](C)C1	83784587	572396028	/nfs/dbraw/zinc/39/60/28/572396028.db2.gz	YISMHYNTLKTQIC-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC(CC)C(=O)[C@H]1CC[C@@H](C)C1	87169340	572396106	/nfs/dbraw/zinc/39/61/06/572396106.db2.gz	SHQZYYWITPLODL-KOLCDFICSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(CC)C(=O)C1CCCC1	87169187	572396352	/nfs/dbraw/zinc/39/63/52/572396352.db2.gz	KRWFSIYUQDWLAG-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H](CC(C)C)[C@H](O)c1cc[nH]c1	308008421	572396375	/nfs/dbraw/zinc/39/63/75/572396375.db2.gz	GRSDJOOOCIXVFV-JQWIXIFHSA-N	0	0	195.306	3.120	10	0		AGAERN
CC[C@H](C)C[C@H](O)[C@@H]1CC[C@H](C)C1	83785919	572396385	/nfs/dbraw/zinc/39/63/85/572396385.db2.gz	HSLLKVYATOOVFY-YFKTTZPYSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H](C)CC(=O)[C@H]1CC[C@H](C)C1	83784936	572396530	/nfs/dbraw/zinc/39/65/30/572396530.db2.gz	SOFJPXWFOBMTJL-DCAQKATOSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H](CC(C)C)[C@@H](O)c1cc[nH]c1	308008424	572396613	/nfs/dbraw/zinc/39/66/13/572396613.db2.gz	GRSDJOOOCIXVFV-ZYHUDNBSSA-N	0	0	195.306	3.120	10	0		AGAERN
CCC(CC)C(=O)c1ncccc1C	87169201	572396668	/nfs/dbraw/zinc/39/66/68/572396668.db2.gz	ZLJNXBBCTKWTNZ-UHFFFAOYSA-N	0	0	191.274	3.009	10	0		AGAERN
CCC(CC)C(=O)[C@H]1CC[C@H](C)C1	87169337	572396676	/nfs/dbraw/zinc/39/66/76/572396676.db2.gz	SHQZYYWITPLODL-ONGXEEELSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(CC)C(=O)c1ccsc1	87169163	572396726	/nfs/dbraw/zinc/39/67/26/572396726.db2.gz	FTSQVNFXFDGQTL-UHFFFAOYSA-N	0	0	182.288	3.367	10	0		AGAERN
CC(C)CCC(=O)[C@@H]1CC[C@@H](C)C1	83784405	572396729	/nfs/dbraw/zinc/39/67/29/572396729.db2.gz	NKVNGXASSBXJNO-GHMZBOCLSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H]1CCC[C@@H]([C@H](O)CC2CC2)C1	83785429	572396938	/nfs/dbraw/zinc/39/69/38/572396938.db2.gz	RUHVEKIPFLWNHL-RAIGVLPGSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC(CC)Cc1ccc(O)cc1O	238229266	572396942	/nfs/dbraw/zinc/39/69/42/572396942.db2.gz	YXHTXOFEZMVWIF-UHFFFAOYSA-N	0	0	194.274	3.077	10	0		AGAERN
CCCCC[C@H](O)[C@@H]1CC[C@H](C)C1	83785612	572396956	/nfs/dbraw/zinc/39/69/56/572396956.db2.gz	HUEBBVILOKQJKX-TUAOUCFPSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(CC)C(=O)[C@H](C)CC	87169246	572396975	/nfs/dbraw/zinc/39/69/75/572396975.db2.gz	FRSKENOMDGXDEK-MRVPVSSYSA-N	0	0	156.269	3.038	10	0		AGAERN
CC[C@@H](CC(C)C)[C@@H](O)c1cc[nH]c1	308008419	572397126	/nfs/dbraw/zinc/39/71/26/572397126.db2.gz	GRSDJOOOCIXVFV-CMPLNLGQSA-N	0	0	195.306	3.120	10	0		AGAERN
CCCSCC(=O)C(CC)CC	87169279	572397216	/nfs/dbraw/zinc/39/72/16/572397216.db2.gz	DYYIPGYPWOVMCV-UHFFFAOYSA-N	0	0	188.336	3.135	10	0		AGAERN
CCC(CC)C[C@H](O)C(C)(C)C	87171620	572397457	/nfs/dbraw/zinc/39/74/57/572397457.db2.gz	CSRDWGYOXPHHPQ-JTQLQIEISA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCC(=O)[C@H]1CC[C@@H](C)C1	83784589	572397467	/nfs/dbraw/zinc/39/74/67/572397467.db2.gz	YISMHYNTLKTQIC-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC(CC)C[C@@H](O)C(C)(C)C	87171621	572397532	/nfs/dbraw/zinc/39/75/32/572397532.db2.gz	CSRDWGYOXPHHPQ-SNVBAGLBSA-N	0	0	172.312	3.220	10	0		AGAERN
CC(C)CCC(=O)[C@@H]1CC[C@H](C)C1	83784407	572397678	/nfs/dbraw/zinc/39/76/78/572397678.db2.gz	NKVNGXASSBXJNO-WDEREUQCSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(CC)C(=O)CCC(F)(F)F	87169450	572397880	/nfs/dbraw/zinc/39/78/80/572397880.db2.gz	KGMHCVCCMSNSHX-UHFFFAOYSA-N	0	0	196.212	3.334	10	0		AGAERN
CCC(CC)[C@@H](C(C)C)[C@@H](C)O	87171698	572397898	/nfs/dbraw/zinc/39/78/98/572397898.db2.gz	XMYCXKSPHNFXMK-KOLCDFICSA-N	0	0	172.312	3.076	10	0		AGAERN
CCC(CC)C(=O)c1cc(C)ccn1	87169250	572397933	/nfs/dbraw/zinc/39/79/33/572397933.db2.gz	LQKKANCDXNJNAW-UHFFFAOYSA-N	0	0	191.274	3.009	10	0		AGAERN
CCC(CC)C(=O)CC(C)(C)C	87169251	572398001	/nfs/dbraw/zinc/39/80/01/572398001.db2.gz	FLTZVHZZLAATHE-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
CC[C@@H]1CCC[C@H]([C@H](O)CC2CC2)C1	83785424	572398022	/nfs/dbraw/zinc/39/80/22/572398022.db2.gz	RUHVEKIPFLWNHL-KGYLQXTDSA-N	0	0	196.334	3.364	10	0		AGAERN
C=C/C=C/CCC[C@H](/C=C/C=C)CO	238701821	572398744	/nfs/dbraw/zinc/39/87/44/572398744.db2.gz	RMXIDPLLACNUAQ-MWBAMFQFSA-N	0	0	192.302	3.250	10	0		AGAERN
CCC[C@H](CO)[C@@H](C)[Si](C)(C)C	238230290	572399133	/nfs/dbraw/zinc/39/91/33/572399133.db2.gz	XMLDUWRHTPYJJD-NXEZZACHSA-N	0	0	188.387	3.123	10	0		AGAERN
CCCCCCc1ccc(C)[nH]1	238231498	572399140	/nfs/dbraw/zinc/39/91/40/572399140.db2.gz	LZYXQXKNEGUWCB-UHFFFAOYSA-N	0	0	165.280	3.446	10	0		AGAERN
CCC[C@H](CO)[C@H](C)[Si](C)(C)C	238230374	572399198	/nfs/dbraw/zinc/39/91/98/572399198.db2.gz	XMLDUWRHTPYJJD-VHSXEESVSA-N	0	0	188.387	3.123	10	0		AGAERN
CCCCC(=S)NC1CCCCC1	238230085	572399272	/nfs/dbraw/zinc/39/92/72/572399272.db2.gz	SWWMUIXCWKSTAN-UHFFFAOYSA-N	0	0	199.363	3.426	10	0		AGAERN
CC[C@H](C)[C@@](C)(O)C(C)(C)CC	197072816	572399789	/nfs/dbraw/zinc/39/97/89/572399789.db2.gz	CIYBBIUOQHDYRK-GXSJLCMTSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCCC[Si](C)(CC)CO	238230352	572399873	/nfs/dbraw/zinc/39/98/73/572399873.db2.gz	IPDQZWRGVXGNAP-UHFFFAOYSA-N	0	0	188.387	3.197	10	0		AGAERN
CCCCC(C)=C=C[C@@H](O)CC	238231138	572399878	/nfs/dbraw/zinc/39/98/78/572399878.db2.gz	BEUQUVVBJADICR-LYNSQETBSA-N	0	0	168.280	3.049	10	0		AGAERN
CC[C@H](C)[C@H](O)[C@H](CC)CC(C)C	308014255	572400109	/nfs/dbraw/zinc/40/01/09/572400109.db2.gz	DRDFFASCLIKCPF-TUAOUCFPSA-N	0	0	186.339	3.466	10	0		AGAERN
CC[C@@H](C)SCc1cc(C)on1	308013524	572400371	/nfs/dbraw/zinc/40/03/71/572400371.db2.gz	OIKPUWNTCWFJEA-MRVPVSSYSA-N	0	0	185.292	3.015	10	0		AGAERN
CO/C1=C/CCCCCCC1	206871291	572400444	/nfs/dbraw/zinc/40/04/44/572400444.db2.gz	HNESJJJYWXNCOS-CSKARUKUSA-N	0	0	154.253	3.261	10	0		AGAERN
CCCCNC(=O)S[C@H](C)CC	238231441	572400566	/nfs/dbraw/zinc/40/05/66/572400566.db2.gz	ASRLCDPHDMLBER-MRVPVSSYSA-N	0	0	189.324	3.028	10	0		AGAERN
CCC[C@@H](CC(C)C)[C@H](O)CC	308014282	572400676	/nfs/dbraw/zinc/40/06/76/572400676.db2.gz	DTDGKDOJEFKDNJ-WDEREUQCSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCNC(=O)S[C@@H](C)CC	238231416	572400697	/nfs/dbraw/zinc/40/06/97/572400697.db2.gz	ASRLCDPHDMLBER-QMMMGPOBSA-N	0	0	189.324	3.028	10	0		AGAERN
CCCCC(C)=C=C[C@H](O)CC	238231150	572400787	/nfs/dbraw/zinc/40/07/87/572400787.db2.gz	BEUQUVVBJADICR-QHDYGNBISA-N	0	0	168.280	3.049	10	0		AGAERN
CCCCC(CCC)(CCC)C(N)=O	238231578	572400795	/nfs/dbraw/zinc/40/07/95/572400795.db2.gz	FZKLIKUSSBVPTH-UHFFFAOYSA-N	0	0	199.338	3.249	10	0		AGAERN
CC(C)C[C@@H](C)C(=O)C(F)(F)Cl	308013850	572401021	/nfs/dbraw/zinc/40/10/21/572401021.db2.gz	QGIHYZVSRJDTQD-ZCFIWIBFSA-N	0	0	198.640	3.069	10	0		AGAERN
CC[C@H](C)[C@@H](O)[C@H](CC)CC(C)C	308014248	572401171	/nfs/dbraw/zinc/40/11/71/572401171.db2.gz	DRDFFASCLIKCPF-QJPTWQEYSA-N	0	0	186.339	3.466	10	0		AGAERN
CCC[C@@H](CC(C)C)[C@@H](O)CC	308014277	572401254	/nfs/dbraw/zinc/40/12/54/572401254.db2.gz	DTDGKDOJEFKDNJ-QWRGUYRKSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@H](CC(C)C)[C@H](O)CC	308014272	572401547	/nfs/dbraw/zinc/40/15/47/572401547.db2.gz	DTDGKDOJEFKDNJ-GHMZBOCLSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCNC(=O)SC(C)(C)C	238231338	572401784	/nfs/dbraw/zinc/40/17/84/572401784.db2.gz	FFUHPEBHIQRAEX-UHFFFAOYSA-N	0	0	189.324	3.028	10	0		AGAERN
CCC[C@H](CO)C[C@@H]1C=CCCC1	238229997	572401852	/nfs/dbraw/zinc/40/18/52/572401852.db2.gz	PPHZSOVEHQFDGG-NEPJUHHUSA-N	0	0	182.307	3.141	10	0		AGAERN
CCCCCC[C@]1(CC)C[C@H]1CO	238229993	572401880	/nfs/dbraw/zinc/40/18/80/572401880.db2.gz	UVKMUZYGCVOPPX-NWDGAFQWSA-N	0	0	184.323	3.365	10	0		AGAERN
C=C=C(CCCC)CCC(C)=O	238231549	572401883	/nfs/dbraw/zinc/40/18/83/572401883.db2.gz	LIGKQPCPRVJPEZ-UHFFFAOYSA-N	0	0	166.264	3.257	10	0		AGAERN
CCCCCC[C@]1(CC)C[C@@H]1CO	238229978	572401898	/nfs/dbraw/zinc/40/18/98/572401898.db2.gz	UVKMUZYGCVOPPX-VXGBXAGGSA-N	0	0	184.323	3.365	10	0		AGAERN
CCC[C@H](CO)C[C@H]1C=CCCC1	238229959	572401922	/nfs/dbraw/zinc/40/19/22/572401922.db2.gz	PPHZSOVEHQFDGG-RYUDHWBXSA-N	0	0	182.307	3.141	10	0		AGAERN
CCCC[C@H]1C(=O)CC[C@H]1CC	238795683	572410421	/nfs/dbraw/zinc/41/04/21/572410421.db2.gz	QUCBGUBNIUJDHL-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
C[C@H](O)[C@H](C)C/C=C\c1ccccc1	252449269	572402212	/nfs/dbraw/zinc/40/22/12/572402212.db2.gz	ZBNUWHMJWOUAEY-LIPIYFLUSA-N	0	0	190.286	3.107	10	0		AGAERN
CC[C@H](C)SCc1cc(C)on1	308013525	572402602	/nfs/dbraw/zinc/40/26/02/572402602.db2.gz	OIKPUWNTCWFJEA-QMMMGPOBSA-N	0	0	185.292	3.015	10	0		AGAERN
CCC[C@H](CC(C)C)[C@@H](O)CC	308014275	572402645	/nfs/dbraw/zinc/40/26/45/572402645.db2.gz	DTDGKDOJEFKDNJ-MNOVXSKESA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@H](C)[C@@H](O)[C@@H](CC)CC(C)C	308014251	572402702	/nfs/dbraw/zinc/40/27/02/572402702.db2.gz	DRDFFASCLIKCPF-SDDRHHMPSA-N	0	0	186.339	3.466	10	0		AGAERN
CCCCC(C)(C)[C@@H](C)C(C)=O	238230730	572402752	/nfs/dbraw/zinc/40/27/52/572402752.db2.gz	ILWFUYDDEJAIMK-VIFPVBQESA-N	0	0	170.296	3.428	10	0		AGAERN
CC1=CCCC[C@@H]1C/C=C/CCCO	238230398	572402971	/nfs/dbraw/zinc/40/29/71/572402971.db2.gz	ZCGVTNVZMNWGAJ-OHVSUOQFSA-N	0	0	194.318	3.452	10	0		AGAERN
CCC(=O)[C@H](C)CC(C)=C(C)C	238230400	572403120	/nfs/dbraw/zinc/40/31/20/572403120.db2.gz	BNXTWGLUDUXOBM-SNVBAGLBSA-N	0	0	168.280	3.348	10	0		AGAERN
CCCCCCc1[nH]ccc1F	238230561	572403130	/nfs/dbraw/zinc/40/31/30/572403130.db2.gz	DXHVWFRYXNACTO-UHFFFAOYSA-N	0	0	169.243	3.277	10	0		AGAERN
CC[C@H](C)[C@H](O)[C@@H](CC)CC(C)C	308014253	572403206	/nfs/dbraw/zinc/40/32/06/572403206.db2.gz	DRDFFASCLIKCPF-SRVKXCTJSA-N	0	0	186.339	3.466	10	0		AGAERN
C=C/C(=C\CO)CCCCCC	238230437	572403284	/nfs/dbraw/zinc/40/32/84/572403284.db2.gz	SRIWQGCJPISOGA-PKNBQFBNSA-N	0	0	168.280	3.062	10	0		AGAERN
CCCCCCC(=O)[C@@]1(C)CCCO1	87226757	572403393	/nfs/dbraw/zinc/40/33/93/572403393.db2.gz	YBJYWYLURMPHMU-GFCCVEGCSA-N	0	0	198.306	3.095	10	0		AGAERN
CC[C@@H](C)/C=C(\C)CCC(C)=O	117103694	572403436	/nfs/dbraw/zinc/40/34/36/572403436.db2.gz	BCRPGXDBKGHYPT-NCXKZPMSSA-N	0	0	168.280	3.348	10	0		AGAERN
CCC[C@H](C)[C@@H](C)CC(C)=O	117109706	572403650	/nfs/dbraw/zinc/40/36/50/572403650.db2.gz	BDWVOCYGGAUEDH-IUCAKERBSA-N	0	0	156.269	3.038	10	0		AGAERN
CC[C@H](C)C/C=C/CCC(C)=O	117102377	572403911	/nfs/dbraw/zinc/40/39/11/572403911.db2.gz	DOZFMCAKJSKSOR-PORFMDCZSA-N	0	0	168.280	3.348	10	0		AGAERN
CC[C@@H](C)CC[C@@H](C)C(C)=O	117107443	572404123	/nfs/dbraw/zinc/40/41/23/572404123.db2.gz	OEDVKROUQIMIKK-RKDXNWHRSA-N	0	0	156.269	3.038	10	0		AGAERN
CC[C@H](C)/C=C(\C)CCC(C)=O	117103696	572404154	/nfs/dbraw/zinc/40/41/54/572404154.db2.gz	BCRPGXDBKGHYPT-WKMLFNHBSA-N	0	0	168.280	3.348	10	0		AGAERN
CCCC/C(C)=C/CCC(C)=O	117101247	572404171	/nfs/dbraw/zinc/40/41/71/572404171.db2.gz	JXFUWSXVBVBOGF-CSKARUKUSA-N	0	0	168.280	3.492	10	0		AGAERN
CCC1CCC([C@@H](O)CC2CC2)CC1	83778271	572404191	/nfs/dbraw/zinc/40/41/91/572404191.db2.gz	WRYHOLHWHNQZOU-GDKBPFBDSA-N	0	0	196.334	3.364	10	0		AGAERN
CCCC/C(=C/C[C@H](C)O)CC	238233859	572404236	/nfs/dbraw/zinc/40/42/36/572404236.db2.gz	RVYVXBWUIQFORN-SPQRFVMMSA-N	0	0	170.296	3.284	10	0		AGAERN
C=C/C=C\CCc1cc(C)ns1	713702375	572404840	/nfs/dbraw/zinc/40/48/40/572404840.db2.gz	SDVMZEDZCNZQHO-PLNGDYQASA-N	0	0	179.288	3.126	10	0		AGAERN
CCC1CCC([C@H](O)CC2CC2)CC1	83778270	572404953	/nfs/dbraw/zinc/40/49/53/572404953.db2.gz	WRYHOLHWHNQZOU-KGPNIALWSA-N	0	0	196.334	3.364	10	0		AGAERN
CCCCCCC(=O)[C@]1(C)CCCO1	87226756	572404983	/nfs/dbraw/zinc/40/49/83/572404983.db2.gz	YBJYWYLURMPHMU-LBPRGKRZSA-N	0	0	198.306	3.095	10	0		AGAERN
CCCCC[C@@H](O)[C@]1(C)C[C@H]1CC	117111610	572405006	/nfs/dbraw/zinc/40/50/06/572405006.db2.gz	MEWJKOMVNYAGNP-IJLUTSLNSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@H](C)[C@H](C)CC(C)=O	117109712	572405116	/nfs/dbraw/zinc/40/51/16/572405116.db2.gz	BDWVOCYGGAUEDH-DTWKUNHWSA-N	0	0	156.269	3.038	10	0		AGAERN
CCCC/C(C)=C/C=C(\C)CO	238233590	572405125	/nfs/dbraw/zinc/40/51/25/572405125.db2.gz	NPWUSITVTGJRPZ-AMMQDNIMSA-N	0	0	168.280	3.062	10	0		AGAERN
CCCC/C(=C/CC(C)C)CO	238233945	572405322	/nfs/dbraw/zinc/40/53/22/572405322.db2.gz	HTLDDKJCNRELGR-FLIBITNWSA-N	0	0	170.296	3.141	10	0		AGAERN
CCCC/C(=C/CCCO)CC	238233793	572405404	/nfs/dbraw/zinc/40/54/04/572405404.db2.gz	NUZWXFUXUKMAOA-PKNBQFBNSA-N	0	0	170.296	3.286	10	0		AGAERN
CC[C@@H](C)[C@H](C(C)=O)c1ccccc1	87224139	572405448	/nfs/dbraw/zinc/40/54/48/572405448.db2.gz	LASXQRDWNGTOLX-ZWNOBZJWSA-N	0	0	190.286	3.405	10	0		AGAERN
CC1=CCCc2c1[nH]c1cc(O)ccc21	238233762	572405451	/nfs/dbraw/zinc/40/54/51/572405451.db2.gz	PKPZPAGIUWWYAO-UHFFFAOYSA-N	0	0	199.253	3.223	10	0		AGAERN
C=C/C=C/CCc1cc(C)ns1	713702377	572405653	/nfs/dbraw/zinc/40/56/53/572405653.db2.gz	SDVMZEDZCNZQHO-SNAWJCMRSA-N	0	0	179.288	3.126	10	0		AGAERN
CC[C@H](C)[C@H](C(C)=O)c1ccccc1	87224141	572405709	/nfs/dbraw/zinc/40/57/09/572405709.db2.gz	LASXQRDWNGTOLX-GXFFZTMASA-N	0	0	190.286	3.405	10	0		AGAERN
CC[C@H](C)[C@@H](C)CCC(C)=O	117099163	572405751	/nfs/dbraw/zinc/40/57/51/572405751.db2.gz	XZYRSZZKQAXAKE-IUCAKERBSA-N	0	0	156.269	3.038	10	0		AGAERN
CC(=O)CC[C@H](C)CC(C)C	117099559	572405759	/nfs/dbraw/zinc/40/57/59/572405759.db2.gz	OAHJBFBJHKIACG-VIFPVBQESA-N	0	0	156.269	3.038	10	0		AGAERN
CCC[C@@H](C)[C@H](C)CC(C)=O	117109708	572405807	/nfs/dbraw/zinc/40/58/07/572405807.db2.gz	BDWVOCYGGAUEDH-RKDXNWHRSA-N	0	0	156.269	3.038	10	0		AGAERN
CCCC/C(=C/C[C@@H](C)O)CC	238233846	572405816	/nfs/dbraw/zinc/40/58/16/572405816.db2.gz	RVYVXBWUIQFORN-OYVNLZQHSA-N	0	0	170.296	3.284	10	0		AGAERN
CCC/C=C/CC(C)(C)C(C)=O	117094710	572405833	/nfs/dbraw/zinc/40/58/33/572405833.db2.gz	BRSVSYJUDLSREX-BQYQJAHWSA-N	0	0	168.280	3.348	10	0		AGAERN
CCCCC[C@H](CCO)C(C)C	238232522	572408713	/nfs/dbraw/zinc/40/87/13/572408713.db2.gz	JTKCYTNMHINDNP-LLVKDONJSA-N	0	0	172.312	3.221	10	0		AGAERN
C=C/C=C/C=C/[C@@H](O)c1ccccc1	238718002	572405997	/nfs/dbraw/zinc/40/59/97/572405997.db2.gz	UEXKAOHCILHAMI-VJSYCNCWSA-N	0	0	186.254	3.018	10	0		AGAERN
CCCC1CCC(C(=N)OC)CC1	83780987	572409992	/nfs/dbraw/zinc/40/99/92/572409992.db2.gz	BZKSLGZRWXNQFT-UHFFFAOYSA-N	0	0	183.295	3.217	10	0		AGAERN
CCCSCc1ccc(N)c(F)c1	87225771	572406160	/nfs/dbraw/zinc/40/61/60/572406160.db2.gz	SZWXHIGVXGBTNF-UHFFFAOYSA-N	0	0	199.294	3.051	10	0		AGAERN
CCC[C@H](C[C@H](C)O)c1ccccc1	238233702	572406215	/nfs/dbraw/zinc/40/62/15/572406215.db2.gz	DXYDYPPYJZTBPN-WCQYABFASA-N	0	0	192.302	3.341	10	0		AGAERN
CC[C@H](C)[C@@H](C(C)=O)c1ccccc1	87224145	572406231	/nfs/dbraw/zinc/40/62/31/572406231.db2.gz	LASXQRDWNGTOLX-GWCFXTLKSA-N	0	0	190.286	3.405	10	0		AGAERN
CC[C@H](C)[C@H](C)CCC(C)=O	117099168	572406323	/nfs/dbraw/zinc/40/63/23/572406323.db2.gz	XZYRSZZKQAXAKE-DTWKUNHWSA-N	0	0	156.269	3.038	10	0		AGAERN
CCCC[C@@H](C)C[C@@H](C)C(C)=O	117099287	572406361	/nfs/dbraw/zinc/40/63/61/572406361.db2.gz	RUAUJXZHBJSFRO-NXEZZACHSA-N	0	0	170.296	3.428	10	0		AGAERN
CC[C@@H](C)[C@H](C)CCC(C)=O	117099165	572406542	/nfs/dbraw/zinc/40/65/42/572406542.db2.gz	XZYRSZZKQAXAKE-RKDXNWHRSA-N	0	0	156.269	3.038	10	0		AGAERN
CCC[C@@H](C)[C@@H](C)CC(C)=O	117109702	572406757	/nfs/dbraw/zinc/40/67/57/572406757.db2.gz	BDWVOCYGGAUEDH-BDAKNGLRSA-N	0	0	156.269	3.038	10	0		AGAERN
CCCC[C@H](O)CCc1ccc(C)o1	238233655	572407063	/nfs/dbraw/zinc/40/70/63/572407063.db2.gz	AICSSADUQMNDCF-NSHDSACASA-N	0	0	196.290	3.072	10	0		AGAERN
CC[C@@H](C)[C@@H](C(C)=O)c1ccccc1	87224143	572407107	/nfs/dbraw/zinc/40/71/07/572407107.db2.gz	LASXQRDWNGTOLX-MFKMUULPSA-N	0	0	190.286	3.405	10	0		AGAERN
CC[C@H](C)CC[C@H](C)C(C)=O	117107451	572407359	/nfs/dbraw/zinc/40/73/59/572407359.db2.gz	OEDVKROUQIMIKK-IUCAKERBSA-N	0	0	156.269	3.038	10	0		AGAERN
CCCC1CCC([C@@H](O)C2CC2)CC1	83780346	572407506	/nfs/dbraw/zinc/40/75/06/572407506.db2.gz	HNUXCACAZFWSMC-GCZXYKMCSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1(C)CC[C@@H]2CC(=O)CC[C@@H]2C1	76604529	572407638	/nfs/dbraw/zinc/40/76/38/572407638.db2.gz	QGHNGIJRNGZZAN-NXEZZACHSA-N	0	0	180.291	3.182	10	0		AGAERN
CCCCCCc1csc(CO)c1	238232489	572407955	/nfs/dbraw/zinc/40/79/55/572407955.db2.gz	XSQLVYBJKOATBT-UHFFFAOYSA-N	0	0	198.331	3.363	10	0		AGAERN
CCCC[C@@H](CO)C[Si](C)(C)C	238792709	572407982	/nfs/dbraw/zinc/40/79/82/572407982.db2.gz	ZLTIAWFTSFPQAA-JTQLQIEISA-N	0	0	188.387	3.123	10	0		AGAERN
CCCC[C@H](O)C(C)=C1CCCC1	238232308	572408012	/nfs/dbraw/zinc/40/80/12/572408012.db2.gz	JUAAMKIXYALYBE-LBPRGKRZSA-N	0	0	182.307	3.428	10	0		AGAERN
CCCC[C@H](O)C(F)=C1CCCC1	238232451	572408100	/nfs/dbraw/zinc/40/81/00/572408100.db2.gz	VSXOMBBUCICJTN-JTQLQIEISA-N	0	0	186.270	3.335	10	0		AGAERN
CC1(C)CC[C@H]2CC(=O)CC[C@H]2C1	76604540	572408150	/nfs/dbraw/zinc/40/81/50/572408150.db2.gz	QGHNGIJRNGZZAN-UWVGGRQHSA-N	0	0	180.291	3.182	10	0		AGAERN
CCCC[C@H](O)C(C(C)C)C(C)C	238232144	572408178	/nfs/dbraw/zinc/40/81/78/572408178.db2.gz	ABNUJTLGMAHBFL-NSHDSACASA-N	0	0	186.339	3.466	10	0		AGAERN
CCCCC(=O)[C@H](F)CCCC	238792926	572408577	/nfs/dbraw/zinc/40/85/77/572408577.db2.gz	CAXADURJNFMUFQ-SECBINFHSA-N	0	0	174.259	3.274	10	0		AGAERN
CC(C)CN=Nc1cccc(Cl)c1	379416193	572411885	/nfs/dbraw/zinc/41/18/85/572411885.db2.gz	RFABUXBYOKEVEA-UHFFFAOYSA-N	0	0	196.681	3.394	10	0		AGAERN
CCCC1CCC([C@H](O)C2CC2)CC1	83780344	572408774	/nfs/dbraw/zinc/40/87/74/572408774.db2.gz	HNUXCACAZFWSMC-XIVSLSHWSA-N	0	0	196.334	3.364	10	0		AGAERN
CCCC[C@@H]1CC[C@H](O)[C@@H](CC)C1	238795026	572408866	/nfs/dbraw/zinc/40/88/66/572408866.db2.gz	LSJVKGZPLCIRKN-WOPDTQHZSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC1CCC([C@@H](O)CC)CC1	83780342	572408875	/nfs/dbraw/zinc/40/88/75/572408875.db2.gz	GJXUKNSRDWWDNK-MCIGGMRASA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@@H](CO)[C@H](C)[Si](C)(C)C	238795805	572408977	/nfs/dbraw/zinc/40/89/77/572408977.db2.gz	XMLDUWRHTPYJJD-UWVGGRQHSA-N	0	0	188.387	3.123	10	0		AGAERN
C=C=C(CCCC)[C@@H](O)CCCC	238232361	572408986	/nfs/dbraw/zinc/40/89/86/572408986.db2.gz	AEWVAKITBSIZJS-LBPRGKRZSA-N	0	0	182.307	3.439	10	0		AGAERN
CCOC(=N)C1CCC(C(C)C)CC1	83780989	572409005	/nfs/dbraw/zinc/40/90/05/572409005.db2.gz	DCRISSGVIUJDRP-UHFFFAOYSA-N	0	0	197.322	3.463	10	0		AGAERN
CCCC[C@H]1C(=O)CC[C@@H]1CC	238795652	572409189	/nfs/dbraw/zinc/40/91/89/572409189.db2.gz	QUCBGUBNIUJDHL-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
C=C=CCCC[C@H]1CCCC[C@H]1O	238716165	572409195	/nfs/dbraw/zinc/40/91/95/572409195.db2.gz	DTTHEAXXRXZAJU-NWDGAFQWSA-N	0	0	180.291	3.049	10	0		AGAERN
CCCC1CCC([C@H](O)CC)CC1	83780340	572409247	/nfs/dbraw/zinc/40/92/47/572409247.db2.gz	GJXUKNSRDWWDNK-HTAVTVPLSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@@](C)(CCC)CCO	238795892	572409341	/nfs/dbraw/zinc/40/93/41/572409341.db2.gz	WUPRNMXRDITOAU-LLVKDONJSA-N	0	0	172.312	3.365	10	0		AGAERN
CCC[C@@H](CO)C[C@@H]1C=CCCC1	238795766	572409623	/nfs/dbraw/zinc/40/96/23/572409623.db2.gz	PPHZSOVEHQFDGG-VXGBXAGGSA-N	0	0	182.307	3.141	10	0		AGAERN
CCC=C=C(CCO)CCCC	238232438	572409658	/nfs/dbraw/zinc/40/96/58/572409658.db2.gz	XJPQHUYKUSZARA-UHFFFAOYSA-N	0	0	168.280	3.051	10	0		AGAERN
CCC[C@@H](CO)C[C@H]1C=CCCC1	238795764	572409730	/nfs/dbraw/zinc/40/97/30/572409730.db2.gz	PPHZSOVEHQFDGG-NWDGAFQWSA-N	0	0	182.307	3.141	10	0		AGAERN
CCCCC[C@H](CCC)[C@H](C)O	238232254	572409825	/nfs/dbraw/zinc/40/98/25/572409825.db2.gz	IOTITSQULJYFAP-QWRGUYRKSA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@@H](CC)c1cc(O)cc(O)c1	238795187	572410182	/nfs/dbraw/zinc/41/01/82/572410182.db2.gz	WKYSIXKUMCANDP-SECBINFHSA-N	0	0	194.274	3.392	10	0		AGAERN
CCCC[C@@](C)(CO)c1ccccc1	238795918	572410211	/nfs/dbraw/zinc/41/02/11/572410211.db2.gz	UYVBZPNATQUAGV-ZDUSSCGKSA-N	0	0	192.302	3.127	10	0		AGAERN
C=C=C(CCCC)[C@H](O)CCCC	238794101	572412536	/nfs/dbraw/zinc/41/25/36/572412536.db2.gz	AEWVAKITBSIZJS-GFCCVEGCSA-N	0	0	182.307	3.439	10	0		AGAERN
CCCCC/C=C/C=C/[C@@H]1C[C@H]1CO	238235245	572412538	/nfs/dbraw/zinc/41/25/38/572412538.db2.gz	AEZFMHWQNOQKPK-BIGLRYFNSA-N	0	0	194.318	3.308	10	0		AGAERN
CCOC(=N)C1CCC(CC)CC1	83778363	572410289	/nfs/dbraw/zinc/41/02/89/572410289.db2.gz	HKHMNAOADJCSIC-UHFFFAOYSA-N	0	0	183.295	3.217	10	0		AGAERN
CCC[C@H](Cc1ccccc1)[C@@H](C)O	238234177	572410407	/nfs/dbraw/zinc/41/04/07/572410407.db2.gz	WMDUUCIHMYUVAV-DGCLKSJQSA-N	0	0	192.302	3.026	10	0		AGAERN
CCC[C@@H](CC)[C@@H](C)C(C)=O	238795163	572410493	/nfs/dbraw/zinc/41/04/93/572410493.db2.gz	WCUVWAUQFSXLFH-WCBMZHEXSA-N	0	0	156.269	3.038	10	0		AGAERN
CCCC[C@H](O)C1(F)CCCCC1	238232661	572410533	/nfs/dbraw/zinc/41/05/33/572410533.db2.gz	RUYBQMBAYFLTGG-JTQLQIEISA-N	0	0	188.286	3.210	10	0		AGAERN
CC1(C)CC[C@@H]2CC(=O)CC[C@H]2C1	76604536	572410694	/nfs/dbraw/zinc/41/06/94/572410694.db2.gz	QGHNGIJRNGZZAN-ZJUUUORDSA-N	0	0	180.291	3.182	10	0		AGAERN
C=CC(=C)C(=C)C1=CC[C@@H](CO)CC1	238716847	572410759	/nfs/dbraw/zinc/41/07/59/572410759.db2.gz	HKQVXQZJUABJIN-GFCCVEGCSA-N	0	0	190.286	3.004	10	0		AGAERN
CCC[C@@H](CC)Nc1ccccc1O	238795150	572410834	/nfs/dbraw/zinc/41/08/34/572410834.db2.gz	GNDKQONPKWRUNI-SNVBAGLBSA-N	0	0	193.290	3.383	10	0		AGAERN
CCC[C@@H](CO)[C@@H](C)[Si](C)(C)C	238795799	572411343	/nfs/dbraw/zinc/41/13/43/572411343.db2.gz	XMLDUWRHTPYJJD-ZJUUUORDSA-N	0	0	188.387	3.123	10	0		AGAERN
CCCCC(=C=CC(C)(C)C)CO	238232755	572411656	/nfs/dbraw/zinc/41/16/56/572411656.db2.gz	KEMWTXXIMQVDCO-UHFFFAOYSA-N	0	0	182.307	3.297	10	0		AGAERN
CCCC[C@@H]1C[C@H]1C(=O)C(C)C	238795214	572411657	/nfs/dbraw/zinc/41/16/57/572411657.db2.gz	GNJRFRWUFZCLPP-NXEZZACHSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCC[C@@H]1CC[C@@H](O)[C@@H](CC)C1	238794998	572411722	/nfs/dbraw/zinc/41/17/22/572411722.db2.gz	LSJVKGZPLCIRKN-GRYCIOLGSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC=C=C[C@@H](O)CCCC	238232912	572411847	/nfs/dbraw/zinc/41/18/47/572411847.db2.gz	HLVUHXHDFKECGP-LYNSQETBSA-N	0	0	168.280	3.049	10	0		AGAERN
CCCCC/C=C(/SC)[C@H](C)O	238234833	572412033	/nfs/dbraw/zinc/41/20/33/572412033.db2.gz	DALRBEUPQLFEEJ-WKMLFNHBSA-N	0	0	188.336	3.194	10	0		AGAERN
CCCCC/C=C(/C)C[C@@H](C)O	238234361	572412215	/nfs/dbraw/zinc/41/22/15/572412215.db2.gz	MMGOUYFHPHGKNP-HIJJYWJESA-N	0	0	170.296	3.284	10	0		AGAERN
CCC/C=C(\F)[C@H](O)CCCC	238794116	572412411	/nfs/dbraw/zinc/41/24/11/572412411.db2.gz	NCKJQBXBZQMLCE-UJICNMFASA-N	0	0	174.259	3.191	10	0		AGAERN
CCCC=C=C[C@H](O)CCCC	238794150	572412480	/nfs/dbraw/zinc/41/24/80/572412480.db2.gz	HLVUHXHDFKECGP-QHDYGNBISA-N	0	0	168.280	3.049	10	0		AGAERN
CCCC[C@@H](O)CCc1ccc(C)o1	238794190	572412655	/nfs/dbraw/zinc/41/26/55/572412655.db2.gz	AICSSADUQMNDCF-LLVKDONJSA-N	0	0	196.290	3.072	10	0		AGAERN
CCCC[C@@H](O)C(F)=C1CCCC1	238794109	572412852	/nfs/dbraw/zinc/41/28/52/572412852.db2.gz	VSXOMBBUCICJTN-SNVBAGLBSA-N	0	0	186.270	3.335	10	0		AGAERN
CCCCCCc1cscc1N	238232746	572412752	/nfs/dbraw/zinc/41/27/52/572412752.db2.gz	VDHSPKMWZKXCCD-UHFFFAOYSA-N	0	0	183.320	3.453	10	0		AGAERN
CC1=C[C@@H](c2ccc3[nH]ccc3c2)OC1	238235016	572412913	/nfs/dbraw/zinc/41/29/13/572412913.db2.gz	PACAJGJCBAVEDL-ZDUSSCGKSA-N	0	0	199.253	3.186	10	0		AGAERN
CCCC[C@@H](O)/C=C1\C=CCCC1	238794418	572413094	/nfs/dbraw/zinc/41/30/94/572413094.db2.gz	UKDHEAVWAPQCCS-HCRIHEDKSA-N	0	0	180.291	3.204	10	0		AGAERN
CCCCC/C=C/C=C/[C@@H](O)CC	238235153	572413098	/nfs/dbraw/zinc/41/30/98/572413098.db2.gz	DSWGFJDKFBSNNI-LTLIQVKPSA-N	0	0	182.307	3.450	10	0		AGAERN
CCCCC(=C=C(C)CCC)CO	238232732	572413156	/nfs/dbraw/zinc/41/31/56/572413156.db2.gz	HFDWNYCPFNGPHB-UHFFFAOYSA-N	0	0	182.307	3.441	10	0		AGAERN
CCCCC/C=C/C(C)(C)CO	238235012	572413572	/nfs/dbraw/zinc/41/35/72/572413572.db2.gz	KWNDKUJDIGBOHC-CMDGGOBGSA-N	0	0	170.296	3.141	10	0		AGAERN
CCCC[C@@H](O)C1(F)CCCCC1	238794129	572413640	/nfs/dbraw/zinc/41/36/40/572413640.db2.gz	RUYBQMBAYFLTGG-SNVBAGLBSA-N	0	0	188.286	3.210	10	0		AGAERN
CCCC(=O)[C@@H]1CC[C@H](CC)C1	83797835	572416142	/nfs/dbraw/zinc/41/61/42/572416142.db2.gz	XTBRLYFXDSBZSM-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@H](Cc1ccccc1)[C@H](C)O	238234188	572413951	/nfs/dbraw/zinc/41/39/51/572413951.db2.gz	WMDUUCIHMYUVAV-WCQYABFASA-N	0	0	192.302	3.026	10	0		AGAERN
CCCC[C@@H](O)C(C(C)C)C(C)C	238794090	572414071	/nfs/dbraw/zinc/41/40/71/572414071.db2.gz	ABNUJTLGMAHBFL-LLVKDONJSA-N	0	0	186.339	3.466	10	0		AGAERN
CCC/C=C/C=C/[C@H](O)CCCC	238794427	572414133	/nfs/dbraw/zinc/41/41/33/572414133.db2.gz	CVBIABZBFDAEDI-YLBKSJHGSA-N	0	0	182.307	3.450	10	0		AGAERN
CCCCC/C=C(/SC)[C@@H](C)O	238234817	572414169	/nfs/dbraw/zinc/41/41/69/572414169.db2.gz	DALRBEUPQLFEEJ-NCXKZPMSSA-N	0	0	188.336	3.194	10	0		AGAERN
CCCC[C@@H](O)C(C)=C1CCCC1	238794099	572414244	/nfs/dbraw/zinc/41/42/44/572414244.db2.gz	JUAAMKIXYALYBE-GFCCVEGCSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H]1CC[C@@H](C(=O)CC(C)C)C1	83792991	572414478	/nfs/dbraw/zinc/41/44/78/572414478.db2.gz	LYAPTUWIFSAJST-GHMZBOCLSA-N	0	0	182.307	3.428	10	0		AGAERN
CCCC[C@H](O)[C@@H]1CC[C@H](CC)C1	83798971	572414511	/nfs/dbraw/zinc/41/45/11/572414511.db2.gz	DYEFZAZWDMRWQO-TUAOUCFPSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)=CC/C(C)=C\[C@H](O)C(C)C	238793128	572414530	/nfs/dbraw/zinc/41/45/30/572414530.db2.gz	LALHPVYWEXYKGF-KGTBHZDVSA-N	0	0	182.307	3.306	10	0		AGAERN
CCOC(=N)[C@H]1CCC[C@H](CC)C1	83789140	572414665	/nfs/dbraw/zinc/41/46/65/572414665.db2.gz	UKTALAHNAIAIOW-UWVGGRQHSA-N	0	0	183.295	3.217	10	0		AGAERN
CC[C@H]1CC[C@@H](C(=O)CC(C)C)C1	83792992	572414682	/nfs/dbraw/zinc/41/46/82/572414682.db2.gz	LYAPTUWIFSAJST-WDEREUQCSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H]1CC[C@@H](C(=O)CC2CC2)C1	83792952	572414856	/nfs/dbraw/zinc/41/48/56/572414856.db2.gz	KMJVITKKIDFEBU-GXSJLCMTSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@H]1CC[C@H](C(=O)CC(C)C)C1	83792988	572415079	/nfs/dbraw/zinc/41/50/79/572415079.db2.gz	LYAPTUWIFSAJST-QWRGUYRKSA-N	0	0	182.307	3.428	10	0		AGAERN
CCCCC/C=C/C[C@H](O)CC	238236096	572415181	/nfs/dbraw/zinc/41/51/81/572415181.db2.gz	KGABEDPEKKTFDS-ANYFNZRUSA-N	0	0	170.296	3.284	10	0		AGAERN
CCCC(=O)[C@H]1CC[C@@H](CC)C1	83797848	572415455	/nfs/dbraw/zinc/41/54/55/572415455.db2.gz	XTBRLYFXDSBZSM-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC(=O)[C@](C)(CC)C(C)(C)C	238236039	572415595	/nfs/dbraw/zinc/41/55/95/572415595.db2.gz	CCWVUFWMHPTLHE-NSHDSACASA-N	0	0	170.296	3.428	10	0		AGAERN
CCCC[C@]1(CC)C(=O)C[C@H]1C	238796356	572415675	/nfs/dbraw/zinc/41/56/75/572415675.db2.gz	SWDCSUXKSLBPJO-KOLCDFICSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCC(=O)[C@H]1CC[C@H](CC)C1	83797841	572415904	/nfs/dbraw/zinc/41/59/04/572415904.db2.gz	XTBRLYFXDSBZSM-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCC[C@H](O)[C@H]1CC[C@H](CC)C1	83798976	572415909	/nfs/dbraw/zinc/41/59/09/572415909.db2.gz	DYEFZAZWDMRWQO-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@H](O)[C@@H]1CC=CC[C@@H]1C	238235310	572415915	/nfs/dbraw/zinc/41/59/15/572415915.db2.gz	MTNQASOQMBMTFT-TUAOUCFPSA-N	0	0	182.307	3.140	10	0		AGAERN
CCCC[C@@]1(CC)[C@@H](O)CC1(C)C	238796353	572416035	/nfs/dbraw/zinc/41/60/35/572416035.db2.gz	YUZZLJCTISSLKH-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCCC/C=C/C[C@H]1CC[C@@H](O)O1	238236173	572416112	/nfs/dbraw/zinc/41/61/12/572416112.db2.gz	GSJNADVEJIQMMX-KZQRZKTQSA-N	0	0	198.306	3.010	10	0		AGAERN
CCCC[C@@H]1CC(=O)[C@@H]1C(C)C	238794762	572416119	/nfs/dbraw/zinc/41/61/19/572416119.db2.gz	PMFNGMSFGXRJLQ-MWLCHTKSSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@@H]1CC[C@H](C(=O)CC2CC2)C1	83792946	572416129	/nfs/dbraw/zinc/41/61/29/572416129.db2.gz	KMJVITKKIDFEBU-KOLCDFICSA-N	0	0	180.291	3.182	10	0		AGAERN
CCCC[C@@H]1CC(=O)[C@H]1C(C)C	238794777	572416209	/nfs/dbraw/zinc/41/62/09/572416209.db2.gz	PMFNGMSFGXRJLQ-KOLCDFICSA-N	0	0	168.280	3.038	10	0		AGAERN
C/C=C/[C@H](O)/C=C/CCCCC	238236666	572416277	/nfs/dbraw/zinc/41/62/77/572416277.db2.gz	JQQCXLFEDINKGQ-LWMJDZNVSA-N	0	0	168.280	3.060	10	0		AGAERN
CC[C@@H]1CC[C@@H]([C@H](O)CC(C)C)C1	83799408	572416334	/nfs/dbraw/zinc/41/63/34/572416334.db2.gz	IFDAJKGJVXASPO-IJLUTSLNSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC1(C(=O)OC(C)(C)C)CCCC1	87317558	572417045	/nfs/dbraw/zinc/41/70/45/572417045.db2.gz	LNEHAZGBURFOOM-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
C=C=C(C1CC1)[C@@H](O)CCCCC	238236715	572416385	/nfs/dbraw/zinc/41/63/85/572416385.db2.gz	RYPVIMBZVHUDFB-LBPRGKRZSA-N	0	0	180.291	3.049	10	0		AGAERN
CCCC[C@H](C(C)=O)[C@@H](C)CC	238794516	572417051	/nfs/dbraw/zinc/41/70/51/572417051.db2.gz	XARQDZUTBLJOTH-ONGXEEELSA-N	0	0	170.296	3.428	10	0		AGAERN
CCOC(=N)[C@H]1CCC[C@@H](CC)C1	83789138	572416493	/nfs/dbraw/zinc/41/64/93/572416493.db2.gz	UKTALAHNAIAIOW-ZJUUUORDSA-N	0	0	183.295	3.217	10	0		AGAERN
CCCC(=O)[C@@H]1CC[C@@H](CC)C1	83797845	572416522	/nfs/dbraw/zinc/41/65/22/572416522.db2.gz	XTBRLYFXDSBZSM-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCC[C@@](F)(CO)c1ccccc1	238796136	572416536	/nfs/dbraw/zinc/41/65/36/572416536.db2.gz	NGYVPCLIMMGMIT-GFCCVEGCSA-N	0	0	196.265	3.034	10	0		AGAERN
CCCC[C@H](O)[C@H]1CC=CC[C@@H]1C	238236405	572416882	/nfs/dbraw/zinc/41/68/82/572416882.db2.gz	MTNQASOQMBMTFT-SRVKXCTJSA-N	0	0	182.307	3.140	10	0		AGAERN
CCCC[C@@]1(CC)CCCCC(=O)N1	238796321	572416935	/nfs/dbraw/zinc/41/69/35/572416935.db2.gz	QUHBDAXRKOQKIZ-LBPRGKRZSA-N	0	0	197.322	3.016	10	0		AGAERN
CCCCC/C=C/C=C/[C@H](O)CC	238235268	572416957	/nfs/dbraw/zinc/41/69/57/572416957.db2.gz	DSWGFJDKFBSNNI-OTXDNUHNSA-N	0	0	182.307	3.450	10	0		AGAERN
CCCC[C@H](C(C)=O)[C@H](C)CC	238794541	572417263	/nfs/dbraw/zinc/41/72/63/572417263.db2.gz	XARQDZUTBLJOTH-KOLCDFICSA-N	0	0	170.296	3.428	10	0		AGAERN
CC[C@@H]1CC[C@H](C(=O)CC(C)C)C1	83792987	572417371	/nfs/dbraw/zinc/41/73/71/572417371.db2.gz	LYAPTUWIFSAJST-MNOVXSKESA-N	0	0	182.307	3.428	10	0		AGAERN
CCC[C@@H](C)C[NH2+]Cc1ccc(C)o1	53036074	572417452	/nfs/dbraw/zinc/41/74/52/572417452.db2.gz	UBWYCYANZSNMDS-SNVBAGLBSA-N	0	0	195.306	3.114	10	0		AGAERN
C/C=C/[C@](CC)(CO)CCCC	238796113	572417491	/nfs/dbraw/zinc/41/74/91/572417491.db2.gz	AXVDPRSACPGDEX-BWNDKRECSA-N	0	0	170.296	3.141	10	0		AGAERN
CCCC[C@@]1(CC)CCCC1=O	238796320	572417783	/nfs/dbraw/zinc/41/77/83/572417783.db2.gz	GNSIEHBUJRLQAI-NSHDSACASA-N	0	0	168.280	3.326	10	0		AGAERN
CCCCC[C@H](O)CC=C(C)C	238237267	572417808	/nfs/dbraw/zinc/41/78/08/572417808.db2.gz	BJBDLBPPKFRPFJ-NSHDSACASA-N	0	0	170.296	3.284	10	0		AGAERN
C/C=C/C[C@H](O)/C=C/CCCCC	238236510	572417823	/nfs/dbraw/zinc/41/78/23/572417823.db2.gz	ZNHVMZNXNZAJKU-XNTIQPRYSA-N	0	0	182.307	3.450	10	0		AGAERN
CCCC[C@]1(CC)C(=O)C[C@@H]1C	238796351	572417866	/nfs/dbraw/zinc/41/78/66/572417866.db2.gz	SWDCSUXKSLBPJO-ONGXEEELSA-N	0	0	168.280	3.182	10	0		AGAERN
C[C@@H]1C[C@H]1C(=O)CCC(C)(C)C	83806452	572417954	/nfs/dbraw/zinc/41/79/54/572417954.db2.gz	ZMOZFNMOAGKTSY-RKDXNWHRSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCC[C@H](c1ccccc1)[C@H](C)O	238794561	572418121	/nfs/dbraw/zinc/41/81/21/572418121.db2.gz	UFRWQKRJEVFDAY-AAEUAGOBSA-N	0	0	192.302	3.341	10	0		AGAERN
CCCC[C@@H]1CCCC/C1=C\CO	238794893	572417997	/nfs/dbraw/zinc/41/79/97/572417997.db2.gz	GSENOEJOLNQLTK-LWMMSDEHSA-N	0	0	182.307	3.286	10	0		AGAERN
CC/C=C/[C@H](O)/C=C/CCCCC	238236690	572418023	/nfs/dbraw/zinc/41/80/23/572418023.db2.gz	HYLHTAYPQWJEGE-WDGMEWSYSA-N	0	0	182.307	3.450	10	0		AGAERN
CC/C=C(\F)[C@@H](O)CCCCC	238236928	572418073	/nfs/dbraw/zinc/41/80/73/572418073.db2.gz	NYDXEUXVEYSPLK-RNKPRXRFSA-N	0	0	174.259	3.191	10	0		AGAERN
C[C@@H]1C[C@@H]1C(=O)CCC(C)(C)C	83806449	572418731	/nfs/dbraw/zinc/41/87/31/572418731.db2.gz	ZMOZFNMOAGKTSY-BDAKNGLRSA-N	0	0	168.280	3.038	10	0		AGAERN
CC1=C[C@H](c2ccc3[nH]ccc3c2)OC1	238235916	572418263	/nfs/dbraw/zinc/41/82/63/572418263.db2.gz	PACAJGJCBAVEDL-CYBMUJFWSA-N	0	0	199.253	3.186	10	0		AGAERN
CCCCCCC(=O)[C@@H]1C[C@@H]1C	83807038	572418326	/nfs/dbraw/zinc/41/83/26/572418326.db2.gz	NQQROHKBLXLSBA-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCCCCC(=O)[C@H]1C[C@@H]1C	83807040	572418373	/nfs/dbraw/zinc/41/83/73/572418373.db2.gz	NQQROHKBLXLSBA-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCC[C@@]1(CC)CCC(=O)C1	238796311	572418582	/nfs/dbraw/zinc/41/85/82/572418582.db2.gz	UVEVUUYGMPAHRD-NSHDSACASA-N	0	0	168.280	3.326	10	0		AGAERN
C[C@H]1C[C@@H]1C(=O)CCC(C)(C)C	83806450	572418598	/nfs/dbraw/zinc/41/85/98/572418598.db2.gz	ZMOZFNMOAGKTSY-IUCAKERBSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCCCCC(=O)[C@H]1C[C@H]1C	83807044	572418798	/nfs/dbraw/zinc/41/87/98/572418798.db2.gz	NQQROHKBLXLSBA-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCCC/C=C/C[C@@H](O)CC	238235806	572419311	/nfs/dbraw/zinc/41/93/11/572419311.db2.gz	KGABEDPEKKTFDS-FBOQAHMBSA-N	0	0	170.296	3.284	10	0		AGAERN
CCC[C@H](C)CC(=O)[C@H]1C[C@@H]1C	83807091	572420245	/nfs/dbraw/zinc/42/02/45/572420245.db2.gz	QYUFIUFFPANNBB-GUBZILKMSA-N	0	0	168.280	3.038	10	0		AGAERN
c1ccc2[nH]c(NC3CCC3)cc2c1	76631732	572419245	/nfs/dbraw/zinc/41/92/45/572419245.db2.gz	GNBMGCWUJNRXJR-UHFFFAOYSA-N	0	0	186.258	3.132	10	0		AGAERN
CCCC[C@H](CC)C(=O)[C@@H](C)F	238797410	572419421	/nfs/dbraw/zinc/41/94/21/572419421.db2.gz	IXOZELQNBRGVDK-BDAKNGLRSA-N	0	0	174.259	3.130	10	0		AGAERN
CCc1cccc(OCC2CCC2)c1	83842175	572419607	/nfs/dbraw/zinc/41/96/07/572419607.db2.gz	ZBZXLQMDYFIEQB-UHFFFAOYSA-N	0	0	190.286	3.428	10	0		AGAERN
CCc1ccc(OCC2CCC2)cc1	83842174	572419612	/nfs/dbraw/zinc/41/96/12/572419612.db2.gz	JLZLMVFMZQUBRA-UHFFFAOYSA-N	0	0	190.286	3.428	10	0		AGAERN
Cc1[nH]c2ccccc2c1NC1CC1	76631730	572419805	/nfs/dbraw/zinc/41/98/05/572419805.db2.gz	YZLPUPUDNMZYLZ-UHFFFAOYSA-N	0	0	186.258	3.051	10	0		AGAERN
C[C@H]1C[C@H]1C(=O)CCC(C)(C)C	83806455	572419862	/nfs/dbraw/zinc/41/98/62/572419862.db2.gz	ZMOZFNMOAGKTSY-DTWKUNHWSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1cc2c(NC3CC3)cccc2[nH]1	76631743	572420124	/nfs/dbraw/zinc/42/01/24/572420124.db2.gz	DWVCVDKZEFFCTD-UHFFFAOYSA-N	0	0	186.258	3.051	10	0		AGAERN
C/C=C(/CO)C/C=C/CCCCC	238235434	572420126	/nfs/dbraw/zinc/42/01/26/572420126.db2.gz	UOYPTURECMVFNL-CCQIVWFRSA-N	0	0	182.307	3.452	10	0		AGAERN
CCC[C@H](C)CC(=O)[C@@H]1C[C@@H]1C	83807087	572420146	/nfs/dbraw/zinc/42/01/46/572420146.db2.gz	QYUFIUFFPANNBB-LPEHRKFASA-N	0	0	168.280	3.038	10	0		AGAERN
c1ccc2c(NC3CCC3)c[nH]c2c1	76631736	572420288	/nfs/dbraw/zinc/42/02/88/572420288.db2.gz	ZHBBYSUIEQFDGU-UHFFFAOYSA-N	0	0	186.258	3.132	10	0		AGAERN
CCCC[C@H](CC)C(=O)[C@H](C)F	238797411	572420378	/nfs/dbraw/zinc/42/03/78/572420378.db2.gz	IXOZELQNBRGVDK-IUCAKERBSA-N	0	0	174.259	3.130	10	0		AGAERN
CCCCCCC(=O)[C@@H]1C[C@H]1C	83807042	572420525	/nfs/dbraw/zinc/42/05/25/572420525.db2.gz	NQQROHKBLXLSBA-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1cc2cccc(NC3CC3)c2[nH]1	76631739	572420947	/nfs/dbraw/zinc/42/09/47/572420947.db2.gz	MEZUJDLRDMTOMG-UHFFFAOYSA-N	0	0	186.258	3.051	10	0		AGAERN
Cc1cc2cc(NC3CC3)ccc2[nH]1	76631750	572421156	/nfs/dbraw/zinc/42/11/56/572421156.db2.gz	OWUYUMZSDQSEHZ-UHFFFAOYSA-N	0	0	186.258	3.051	10	0		AGAERN
CCC(=O)c1c(CC)[nH]c(C)c1CC	238238398	572422762	/nfs/dbraw/zinc/42/27/62/572422762.db2.gz	MDKANMYPCRFOIS-UHFFFAOYSA-N	0	0	193.290	3.041	10	0		AGAERN
CC[C@@H](C)c1c[nH]c(SC(C)C)n1	238798602	572421310	/nfs/dbraw/zinc/42/13/10/572421310.db2.gz	YYURYWAUILYCDS-MRVPVSSYSA-N	0	0	198.335	3.424	10	0		AGAERN
CCCC[C@H](C)c1ccc(O)c(N)c1	238797236	572421347	/nfs/dbraw/zinc/42/13/47/572421347.db2.gz	COYLKAAJRXULFX-VIFPVBQESA-N	0	0	193.290	3.268	10	0		AGAERN
c1ccc(-c2cc3c(o2)CCC3)cc1	76628662	572421612	/nfs/dbraw/zinc/42/16/12/572421612.db2.gz	CZPSFITVPGNYHS-UHFFFAOYSA-N	0	0	184.238	3.435	10	0		AGAERN
CC(C)CC[C@@H]1C[C@H](C)CC[C@H]1O	44470102	572423930	/nfs/dbraw/zinc/42/39/30/572423930.db2.gz	NESCSNCQYZZBFC-IJLUTSLNSA-N	0	0	184.323	3.220	10	0		AGAERN
c1cc(NC2CCC2)c2cc[nH]c2c1	76631748	572421989	/nfs/dbraw/zinc/42/19/89/572421989.db2.gz	KREGTLZIAHOVQT-UHFFFAOYSA-N	0	0	186.258	3.132	10	0		AGAERN
CC(C)CC[C@@H]1C[C@@H](C)CCC1=O	44468445	572423899	/nfs/dbraw/zinc/42/38/99/572423899.db2.gz	PSMSNLDBFQXKHK-WDEREUQCSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H](C)c1nc[nH]c1[C@H](C)CC	238798882	572422577	/nfs/dbraw/zinc/42/25/77/572422577.db2.gz	PNTRTBITKJFYEF-RKDXNWHRSA-N	0	0	180.295	3.437	10	0		AGAERN
CC(C)CC[C@H]1C[C@H](C)CCC1=O	44468448	572422602	/nfs/dbraw/zinc/42/26/02/572422602.db2.gz	PSMSNLDBFQXKHK-MNOVXSKESA-N	0	0	182.307	3.428	10	0		AGAERN
Cc1cc2cccc(NC(C)C)c2[nH]1	76633236	572422830	/nfs/dbraw/zinc/42/28/30/572422830.db2.gz	JOYQISZXFDVQFP-UHFFFAOYSA-N	0	0	188.274	3.297	10	0		AGAERN
CCCC[C@@H](C(C)=O)[C@@H](C)CC	238238470	572422867	/nfs/dbraw/zinc/42/28/67/572422867.db2.gz	XARQDZUTBLJOTH-GXSJLCMTSA-N	0	0	170.296	3.428	10	0		AGAERN
CC(C)CC[C@@H]1C[C@@H](C)CC[C@H]1O	44470105	572422890	/nfs/dbraw/zinc/42/28/90/572422890.db2.gz	NESCSNCQYZZBFC-QJPTWQEYSA-N	0	0	184.323	3.220	10	0		AGAERN
CCCCC[C@H](O)[C@H]1C=CCC=CC1	238238511	572423264	/nfs/dbraw/zinc/42/32/64/572423264.db2.gz	OSZXMJNNKSNQIQ-OLZOCXBDSA-N	0	0	194.318	3.450	10	0		AGAERN
CC[C@H](CC(C)C)[C@H](O)CC(C)C	308018168	572423335	/nfs/dbraw/zinc/42/33/35/572423335.db2.gz	HNFQCDBYBSQEFZ-VXGBXAGGSA-N	0	0	186.339	3.466	10	0		AGAERN
CC(C)CC[C@@H]1C[C@H](C)CCC1=O	44468442	572423603	/nfs/dbraw/zinc/42/36/03/572423603.db2.gz	PSMSNLDBFQXKHK-GHMZBOCLSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)CCC1=CCCC[C@@H]1C	196628460	572423865	/nfs/dbraw/zinc/42/38/65/572423865.db2.gz	PLERGYCADYKDHP-VIFPVBQESA-N	0	0	166.264	3.102	10	0		AGAERN
CC(C)=C[C@@H]1C(=O)CC=CC1(C)C	196620547	572423861	/nfs/dbraw/zinc/42/38/61/572423861.db2.gz	LJABGCWJRUPKGH-SNVBAGLBSA-N	0	0	178.275	3.124	10	0		AGAERN
CC(C)CC[C@@H]1C[C@H](C)CC[C@@H]1O	44470097	572424090	/nfs/dbraw/zinc/42/40/90/572424090.db2.gz	NESCSNCQYZZBFC-UTUOFQBUSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O	44470292	572424121	/nfs/dbraw/zinc/42/41/21/572424121.db2.gz	AAAFHFLHBVFDPK-VWYCJHECSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1O	44470289	572424247	/nfs/dbraw/zinc/42/42/47/572424247.db2.gz	AAAFHFLHBVFDPK-AXFHLTTASA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O	44470286	572424281	/nfs/dbraw/zinc/42/42/81/572424281.db2.gz	AAAFHFLHBVFDPK-MXWKQRLJSA-N	0	0	184.323	3.220	10	0		AGAERN
CCCC[C@@H](c1ccccc1)[C@@H](C)O	238238660	572424282	/nfs/dbraw/zinc/42/42/82/572424282.db2.gz	UFRWQKRJEVFDAY-DGCLKSJQSA-N	0	0	192.302	3.341	10	0		AGAERN
CC[C@@H](CC(C)C)[C@H](O)CC(C)C	308018164	572424342	/nfs/dbraw/zinc/42/43/42/572424342.db2.gz	HNFQCDBYBSQEFZ-NWDGAFQWSA-N	0	0	186.339	3.466	10	0		AGAERN
CC[C@H](CC(C)C)[C@@H](O)CC(C)C	308018162	572424716	/nfs/dbraw/zinc/42/47/16/572424716.db2.gz	HNFQCDBYBSQEFZ-NEPJUHHUSA-N	0	0	186.339	3.466	10	0		AGAERN
CC[C@@H](CC(C)C)[C@@H](O)CC(C)C	308018166	572424788	/nfs/dbraw/zinc/42/47/88/572424788.db2.gz	HNFQCDBYBSQEFZ-RYUDHWBXSA-N	0	0	186.339	3.466	10	0		AGAERN
CCC(=O)[C@@H]1CCCCC[C@H]1C	196620455	572424989	/nfs/dbraw/zinc/42/49/89/572424989.db2.gz	SXJWATGBWLVGDQ-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCCC[C@@](C)(O)C1(C)CC1	87365413	572432674	/nfs/dbraw/zinc/43/26/74/572432674.db2.gz	RTLUJLKKEFCKME-LLVKDONJSA-N	0	0	170.296	3.118	10	0		AGAERN
C/C=C\[C@@H]1CC=Cc2cccn21	210618852	572425292	/nfs/dbraw/zinc/42/52/92/572425292.db2.gz	RLZLFDIWGCQDJV-XJIUSYNZSA-N	0	0	159.232	3.022	10	0		AGAERN
CCC(=O)[C@H]1CCCCC[C@@H]1C	196620447	572425375	/nfs/dbraw/zinc/42/53/75/572425375.db2.gz	SXJWATGBWLVGDQ-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1cc2c(NC(C)C)cccc2[nH]1	76633239	572425458	/nfs/dbraw/zinc/42/54/58/572425458.db2.gz	BWNHXAWFGYYKHL-UHFFFAOYSA-N	0	0	188.274	3.297	10	0		AGAERN
CC(C)=C[C@H]1C(=O)CC=CC1(C)C	196620560	572425696	/nfs/dbraw/zinc/42/56/96/572425696.db2.gz	LJABGCWJRUPKGH-JTQLQIEISA-N	0	0	178.275	3.124	10	0		AGAERN
CCC(=O)[C@@H]1CCCCC[C@@H]1C	196620437	572425912	/nfs/dbraw/zinc/42/59/12/572425912.db2.gz	SXJWATGBWLVGDQ-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(=O)CCC1=CCCC[C@H]1C	196628452	572426174	/nfs/dbraw/zinc/42/61/74/572426174.db2.gz	PLERGYCADYKDHP-SECBINFHSA-N	0	0	166.264	3.102	10	0		AGAERN
CCC[C@H](O)[C@@H](CC)CC(C)C	308020231	572426345	/nfs/dbraw/zinc/42/63/45/572426345.db2.gz	JDURTLBEITVLQT-QWRGUYRKSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@@H](CC(C)C)[C@H](O)C(C)C	308020376	572428206	/nfs/dbraw/zinc/42/82/06/572428206.db2.gz	JLUFUNKFPBIPCB-NWDGAFQWSA-N	0	0	186.339	3.466	10	0		AGAERN
CCCC/C=C\[C@H]1CCCCC1=O	205170706	572426934	/nfs/dbraw/zinc/42/69/34/572426934.db2.gz	WEWZILAIHLFVHK-OFSNVTPPSA-N	0	0	180.291	3.492	10	0		AGAERN
CCCC/C=C\[C@@H]1CCCCC1=O	205170679	572428231	/nfs/dbraw/zinc/42/82/31/572428231.db2.gz	WEWZILAIHLFVHK-UIJKISKDSA-N	0	0	180.291	3.492	10	0		AGAERN
Cc1cc(C(C)C)ccc1CCCO	238238133	572427033	/nfs/dbraw/zinc/42/70/33/572427033.db2.gz	NNNONMFMRRYJNL-UHFFFAOYSA-N	0	0	192.302	3.043	10	0		AGAERN
CCCCOc1cc(C)cc(C)c1N	238238165	572427037	/nfs/dbraw/zinc/42/70/37/572427037.db2.gz	YIRXXWMARVUBFD-UHFFFAOYSA-N	0	0	193.290	3.065	10	0		AGAERN
CC[C@@H](CC(C)C)[C@H](O)C1CCC1	308020361	572427170	/nfs/dbraw/zinc/42/71/70/572427170.db2.gz	JKUVWVHTUFUYLR-JQWIXIFHSA-N	0	0	184.323	3.220	10	0		AGAERN
CCCCC[C@H](O)[C@@H](C)/C=C/Cl	238238061	572427197	/nfs/dbraw/zinc/42/71/97/572427197.db2.gz	ZSIDCNMOGMSUPX-GOPXOUGQSA-N	0	0	190.714	3.316	10	0		AGAERN
CCCC(=O)CCCCCCF	308019725	572427292	/nfs/dbraw/zinc/42/72/92/572427292.db2.gz	TZJXIVULJQPMHU-UHFFFAOYSA-N	0	0	174.259	3.276	10	0		AGAERN
CC[C@H](CC(C)C)[C@@H](O)C1CCC1	308020363	572427437	/nfs/dbraw/zinc/42/74/37/572427437.db2.gz	JKUVWVHTUFUYLR-ZYHUDNBSSA-N	0	0	184.323	3.220	10	0		AGAERN
CCCCC1(CCCC)C=C[C@H](O)O1	238238056	572427955	/nfs/dbraw/zinc/42/79/55/572427955.db2.gz	ZHXRMYQWDIYYBH-LLVKDONJSA-N	0	0	198.306	3.010	10	0		AGAERN
CCC[C@H](O)[C@H](CC)CC(C)C	308020230	572428115	/nfs/dbraw/zinc/42/81/15/572428115.db2.gz	JDURTLBEITVLQT-MNOVXSKESA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCC[C@H](O)[C@@H]1C=CC=CCC1	238239391	572428175	/nfs/dbraw/zinc/42/81/75/572428175.db2.gz	NIRCMQDGJSHAMM-OLZOCXBDSA-N	0	0	194.318	3.450	10	0		AGAERN
CCC(C)(C)C[C@H](C)C(C)(C)O	207048395	572428323	/nfs/dbraw/zinc/42/83/23/572428323.db2.gz	FDDDAYPNHUSDNW-VIFPVBQESA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@H](CC(C)C)[C@@H](O)C(C)C	308020375	572428633	/nfs/dbraw/zinc/42/86/33/572428633.db2.gz	JLUFUNKFPBIPCB-NEPJUHHUSA-N	0	0	186.339	3.466	10	0		AGAERN
CCC[C@@H](CC(C)C)[C@@H](O)C(C)C	308020377	572428756	/nfs/dbraw/zinc/42/87/56/572428756.db2.gz	JLUFUNKFPBIPCB-RYUDHWBXSA-N	0	0	186.339	3.466	10	0		AGAERN
CC[C@H](CC(C)C)[C@H](O)C1CCC1	308020362	572429311	/nfs/dbraw/zinc/42/93/11/572429311.db2.gz	JKUVWVHTUFUYLR-PWSUYJOCSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@@H](CC(C)C)[C@@H](O)C1CCC1	308020359	572429371	/nfs/dbraw/zinc/42/93/71/572429371.db2.gz	JKUVWVHTUFUYLR-CMPLNLGQSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC[C@@H](O)[C@@H](CC)CC(C)C	308020234	572429410	/nfs/dbraw/zinc/42/94/10/572429410.db2.gz	JDURTLBEITVLQT-WDEREUQCSA-N	0	0	172.312	3.220	10	0		AGAERN
CCN(CC)c1nc(C(C)C)cs1	88345772	572429763	/nfs/dbraw/zinc/42/97/63/572429763.db2.gz	DLOMEMQEDJCVBB-UHFFFAOYSA-N	0	0	198.335	3.113	10	0		AGAERN
CCC[C@H](CC(C)C)[C@H](O)C(C)C	308020378	572430526	/nfs/dbraw/zinc/43/05/26/572430526.db2.gz	JLUFUNKFPBIPCB-VXGBXAGGSA-N	0	0	186.339	3.466	10	0		AGAERN
CCC[C@@H](C)C[C@](C)(O)C1(C)CC1	87365792	572430827	/nfs/dbraw/zinc/43/08/27/572430827.db2.gz	LDQYBKSWARVPBS-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@](C)(CO)[C@@H](C)CC(C)C	308022075	572431032	/nfs/dbraw/zinc/43/10/32/572431032.db2.gz	VFMOSNSTHHCOSA-WDEREUQCSA-N	0	0	172.312	3.077	10	0		AGAERN
CC[C@@](C)(CO)[C@@H](C)CC(C)C	308022074	572431087	/nfs/dbraw/zinc/43/10/87/572431087.db2.gz	VFMOSNSTHHCOSA-QWRGUYRKSA-N	0	0	172.312	3.077	10	0		AGAERN
CCC(=O)c1c[nH]cc1-c1ccccc1	238239473	572431403	/nfs/dbraw/zinc/43/14/03/572431403.db2.gz	UNAZFNPBGGRDBE-UHFFFAOYSA-N	0	0	199.253	3.274	10	0		AGAERN
CC(C)(C)CC[C@](C)(O)C1(C)CC1	87365345	572431553	/nfs/dbraw/zinc/43/15/53/572431553.db2.gz	RMVBVWNAGMFNER-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCCC[C@H](O)[C@@H]1C=CCCC1	238239418	572432740	/nfs/dbraw/zinc/43/27/40/572432740.db2.gz	PLCNCFJHPZVQOS-NEPJUHHUSA-N	0	0	182.307	3.284	10	0		AGAERN
CCC[C@@H](C)C[C@@](C)(O)C1(C)CC1	87365795	572432111	/nfs/dbraw/zinc/43/21/11/572432111.db2.gz	LDQYBKSWARVPBS-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@](C)(CO)[C@H](C)CC(C)C	308022073	572432218	/nfs/dbraw/zinc/43/22/18/572432218.db2.gz	VFMOSNSTHHCOSA-MNOVXSKESA-N	0	0	172.312	3.077	10	0		AGAERN
CCc1ccccc1OC/C=C\Cl	214234050	572432306	/nfs/dbraw/zinc/43/23/06/572432306.db2.gz	KBYFCMGBUKWVLH-YVMONPNESA-N	0	0	196.677	3.380	10	0		AGAERN
CCCCOc1cc(O)ccc1CC	238238808	572432367	/nfs/dbraw/zinc/43/23/67/572432367.db2.gz	VKCGDEOARFFHJL-UHFFFAOYSA-N	0	0	194.274	3.134	10	0		AGAERN
CC1(C)[C@H]2CC=C(CCCCO)[C@@H]1C2	238238745	572433631	/nfs/dbraw/zinc/43/36/31/572433631.db2.gz	CXSVCWYVHYCKRE-RYUDHWBXSA-N	0	0	194.318	3.141	10	0		AGAERN
CC[C@](C)(CO)[C@H](C)CC(C)C	308022072	572433679	/nfs/dbraw/zinc/43/36/79/572433679.db2.gz	VFMOSNSTHHCOSA-GHMZBOCLSA-N	0	0	172.312	3.077	10	0		AGAERN
CCCCC[C@](C)(O)C1(C)CC1	87365410	572433864	/nfs/dbraw/zinc/43/38/64/572433864.db2.gz	RTLUJLKKEFCKME-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
CCC[C@H](C)C[C@@](C)(O)C1(C)CC1	87365796	572433888	/nfs/dbraw/zinc/43/38/88/572433888.db2.gz	LDQYBKSWARVPBS-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@H](C)C[C@](C)(O)C1(C)CC1	87365793	572434024	/nfs/dbraw/zinc/43/40/24/572434024.db2.gz	LDQYBKSWARVPBS-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)CCC(=O)CC1CCC1	83840132	572434588	/nfs/dbraw/zinc/43/45/88/572434588.db2.gz	DKMLGLFUGGIGMP-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
O=C(Cc1cccs1)CC1CCC1	83840171	572434666	/nfs/dbraw/zinc/43/46/66/572434666.db2.gz	NUFQEZOQYUHLOG-UHFFFAOYSA-N	0	0	194.299	3.050	10	0		AGAERN
CCCC[C@@H](C(C)=O)[C@H](C)CC	238238993	572434754	/nfs/dbraw/zinc/43/47/54/572434754.db2.gz	XARQDZUTBLJOTH-MWLCHTKSSA-N	0	0	170.296	3.428	10	0		AGAERN
CCCC[C@@H](c1ccccc1)[C@H](C)O	238239139	572435469	/nfs/dbraw/zinc/43/54/69/572435469.db2.gz	UFRWQKRJEVFDAY-WCQYABFASA-N	0	0	192.302	3.341	10	0		AGAERN
CCCCC[C@@H]1C(=O)CC=C1C	238240406	572435921	/nfs/dbraw/zinc/43/59/21/572435921.db2.gz	TWWXWPLERQUUHL-JTQLQIEISA-N	0	0	166.264	3.102	10	0		AGAERN
CCCCOc1ccc(CC)c(O)c1	238239242	572435999	/nfs/dbraw/zinc/43/59/99/572435999.db2.gz	CTYBFOKYSFZGEK-UHFFFAOYSA-N	0	0	194.274	3.134	10	0		AGAERN
CC(C)(C)CC(=O)CC1CCC1	83840235	572436190	/nfs/dbraw/zinc/43/61/90/572436190.db2.gz	NPUOREZFNTXXCF-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CCc1c(C)c(C)c(C)c(C=O)c1C	207106724	572436655	/nfs/dbraw/zinc/43/66/55/572436655.db2.gz	DKNOMAQECBNKNP-UHFFFAOYSA-N	0	0	190.286	3.295	10	0		AGAERN
CC[C@@H]1CC[C@H]([C@H](O)CC2CCC2)C1	83840922	572436661	/nfs/dbraw/zinc/43/66/61/572436661.db2.gz	UPCKTQRIPRKJBC-KGYLQXTDSA-N	0	0	196.334	3.364	10	0		AGAERN
CCCCC[C@H](O)[C@@H]1C=CCC=CC1	238239337	572436840	/nfs/dbraw/zinc/43/68/40/572436840.db2.gz	OSZXMJNNKSNQIQ-STQMWFEESA-N	0	0	194.318	3.450	10	0		AGAERN
CCC(=O)C[C@H](CC)C(C)C	238799983	572436847	/nfs/dbraw/zinc/43/68/47/572436847.db2.gz	QIFUERVMYDNLJW-VIFPVBQESA-N	0	0	156.269	3.038	10	0		AGAERN
C/C=C\[C@H](C)c1c(C)cccc1N	308025560	572437079	/nfs/dbraw/zinc/43/70/79/572437079.db2.gz	XELXGBJHBLPGKJ-RNEXMXFGSA-N	0	0	175.275	3.257	10	0		AGAERN
C/C=C\[C@@H](C)c1c(C)cccc1N	308025562	572437127	/nfs/dbraw/zinc/43/71/27/572437127.db2.gz	XELXGBJHBLPGKJ-XTULLQBASA-N	0	0	175.275	3.257	10	0		AGAERN
Cc1cc(C)cc(-c2ccc(C=O)[nH]2)c1	74235988	572438026	/nfs/dbraw/zinc/43/80/26/572438026.db2.gz	YALALVSZKHBVAC-UHFFFAOYSA-N	0	0	199.253	3.111	10	0		AGAERN
CNc1c(C)cccc1C(F)(F)F	197378514	572437798	/nfs/dbraw/zinc/43/77/98/572437798.db2.gz	BMCKJJGHVPIAHD-UHFFFAOYSA-N	0	0	189.180	3.056	10	0		AGAERN
CCCC(=O)[C@@H](C)CC=C(C)C	238240570	572438456	/nfs/dbraw/zinc/43/84/56/572438456.db2.gz	VVWKUGGSJVYEPC-JTQLQIEISA-N	0	0	168.280	3.348	10	0		AGAERN
Cc1cncc(CNc2ccccc2)c1	83891997	572438902	/nfs/dbraw/zinc/43/89/02/572438902.db2.gz	CUOFOGKGRRZBNK-UHFFFAOYSA-N	0	0	198.269	3.002	10	0		AGAERN
CCCCOc1ccc(N)c(CC)c1	238239785	572439139	/nfs/dbraw/zinc/43/91/39/572439139.db2.gz	WNOKBTBRTOIBBT-UHFFFAOYSA-N	0	0	193.290	3.010	10	0		AGAERN
Cc1ccc(C)c(-c2ccc(C=O)[nH]2)c1	74235985	572439464	/nfs/dbraw/zinc/43/94/64/572439464.db2.gz	NFRALVQWKYAMOW-UHFFFAOYSA-N	0	0	199.253	3.111	10	0		AGAERN
CC(=O)CCC[C@H]1CC[C@@H](C)C1	238804129	572439477	/nfs/dbraw/zinc/43/94/77/572439477.db2.gz	XVSDQSOQBPEASK-KOLCDFICSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1ccc(-c2ccc(C=O)[nH]2)c(C)c1	74235991	572439567	/nfs/dbraw/zinc/43/95/67/572439567.db2.gz	FNVHYLAPAOPQEZ-UHFFFAOYSA-N	0	0	199.253	3.111	10	0		AGAERN
Cc1ccc(-c2cc[nH]c2C=O)c(C)c1	74235980	572439775	/nfs/dbraw/zinc/43/97/75/572439775.db2.gz	CWRPIWTVEQUMNU-UHFFFAOYSA-N	0	0	199.253	3.111	10	0		AGAERN
C[C@@H]1CCc2c1c1cccc3c1n2CC3	238804850	572439982	/nfs/dbraw/zinc/43/99/82/572439982.db2.gz	GPQCDNSEOOMSTL-SECBINFHSA-N	0	0	197.281	3.247	10	0		AGAERN
CC/C=C/C=C/[C@@H](O)CCCCC	238239737	572440097	/nfs/dbraw/zinc/44/00/97/572440097.db2.gz	SLAWMSAJANXCOA-CWALFUGWSA-N	0	0	182.307	3.450	10	0		AGAERN
CC(C)c1nc2c(N)scc2s1	74236901	572440152	/nfs/dbraw/zinc/44/01/52/572440152.db2.gz	DKPOLKLDUOKYIU-UHFFFAOYSA-N	0	0	198.316	3.063	10	0		AGAERN
CCCC/C(C)=C\[C@H](O)C(F)(F)F	207130363	572440482	/nfs/dbraw/zinc/44/04/82/572440482.db2.gz	BCFIJOFFWSBSAB-UAPHAKCISA-N	0	0	196.212	3.046	10	0		AGAERN
Cc1cc2[nH]c(Cl)c(N)c2cc1C	76636282	572440960	/nfs/dbraw/zinc/44/09/60/572440960.db2.gz	BIQQUZFZRTUQNH-UHFFFAOYSA-N	0	0	194.665	3.020	10	0		AGAERN
C/C=C(/CF)c1ccccc1OC	90373171	572441325	/nfs/dbraw/zinc/44/13/25/572441325.db2.gz	PDJQHEDCEBTNMP-OQFOIZHKSA-N	0	0	180.222	3.068	10	0		AGAERN
CCCCC[C@@H]1C=CNC(=S)C1	238240567	572441383	/nfs/dbraw/zinc/44/13/83/572441383.db2.gz	DDMQSTILPNWVDU-SECBINFHSA-N	0	0	183.320	3.017	10	0		AGAERN
C/C=C(/CF)c1ccc(OC)cc1	90373170	572442579	/nfs/dbraw/zinc/44/25/79/572442579.db2.gz	HSDJGRZNKWRLFT-OQFOIZHKSA-N	0	0	180.222	3.068	10	0		AGAERN
CCCCC1=CCC[C@H]1C(C)=O	238240265	572442657	/nfs/dbraw/zinc/44/26/57/572442657.db2.gz	YETWPCJFSNXLMJ-NSHDSACASA-N	0	0	166.264	3.102	10	0		AGAERN
CCCCCCNC(=S)C=C(C)C	238241156	572443268	/nfs/dbraw/zinc/44/32/68/572443268.db2.gz	YJEJCSRGKWODET-UHFFFAOYSA-N	0	0	199.363	3.450	10	0		AGAERN
CCCCC1=C[C@@H](CCO)CCC1	238241054	572443290	/nfs/dbraw/zinc/44/32/90/572443290.db2.gz	MNBPWOMRGAPZLQ-GFCCVEGCSA-N	0	0	182.307	3.286	10	0		AGAERN
C/C=C\c1ccc(C)c(C)c1	90373302	572443581	/nfs/dbraw/zinc/44/35/81/572443581.db2.gz	DCTPSAXRSBGQRB-PLNGDYQASA-N	0	0	146.233	3.337	10	0		AGAERN
Cc1ccc2c(c1)NCc1cc(C)cn1-2	76637597	572443799	/nfs/dbraw/zinc/44/37/99/572443799.db2.gz	GPADBNBBVGLEEM-UHFFFAOYSA-N	0	0	198.269	3.020	10	0		AGAERN
Cc1cc2n(c1)-c1c(C)cccc1NC2	76637593	572443864	/nfs/dbraw/zinc/44/38/64/572443864.db2.gz	TXARAPLDBDJFNA-UHFFFAOYSA-N	0	0	198.269	3.020	10	0		AGAERN
CC(C)Cc1ccc2c(c1)CCCN2	68890675	572444317	/nfs/dbraw/zinc/44/43/17/572444317.db2.gz	MBJBLOXHHSEQIF-UHFFFAOYSA-N	0	0	189.302	3.243	10	0		AGAERN
Nc1c[nH]c(-c2cccc3occc23)c1	74238320	572444381	/nfs/dbraw/zinc/44/43/81/572444381.db2.gz	HPSIPBQQVBRJSR-UHFFFAOYSA-N	0	0	198.225	3.010	10	0		AGAERN
Cc1nc(NC2CCCCC2)oc1C	76636109	572444520	/nfs/dbraw/zinc/44/45/20/572444520.db2.gz	NFMRVOOQHWWYDY-UHFFFAOYSA-N	0	0	194.278	3.036	10	0		AGAERN
Cc1ccc2c(c1)-n1cc(C)cc1CN2	76637595	572444834	/nfs/dbraw/zinc/44/48/34/572444834.db2.gz	RAHIEVYVFQSXIM-UHFFFAOYSA-N	0	0	198.269	3.020	10	0		AGAERN
CCC(C)(C)CC1(CO)CC=CC1	713250315	572444968	/nfs/dbraw/zinc/44/49/68/572444968.db2.gz	PWVIDVIMUSXLHN-UHFFFAOYSA-N	0	0	182.307	3.141	10	0		AGAERN
Nc1ccsc1-c1occc1Cl	74214307	572445126	/nfs/dbraw/zinc/44/51/26/572445126.db2.gz	APIUZKCFVMGQHG-UHFFFAOYSA-N	0	0	199.662	3.244	10	0		AGAERN
CCCCC[C@H]1CC=CCC1=O	238241028	572445240	/nfs/dbraw/zinc/44/52/40/572445240.db2.gz	ULJBVPKIBZBFAB-JTQLQIEISA-N	0	0	166.264	3.102	10	0		AGAERN
CC/C=C/CCCCOC(=O)CC	90372846	572445258	/nfs/dbraw/zinc/44/52/58/572445258.db2.gz	LWYSNOFRZXMWJC-AATRIKPKSA-N	0	0	184.279	3.076	10	0		AGAERN
CCCCC1=CCC[C@@H]1C(C)=O	238240228	572445673	/nfs/dbraw/zinc/44/56/73/572445673.db2.gz	YETWPCJFSNXLMJ-LLVKDONJSA-N	0	0	166.264	3.102	10	0		AGAERN
Nc1ccsc1-c1cc(Cl)co1	74214300	572445850	/nfs/dbraw/zinc/44/58/50/572445850.db2.gz	UHEFONIARYHPLK-UHFFFAOYSA-N	0	0	199.662	3.244	10	0		AGAERN
C[C@H]1CC[C@@H](C(=O)CCC2CC2)C1	83936049	572447742	/nfs/dbraw/zinc/44/77/42/572447742.db2.gz	DSUURWJULUTNIB-GXSJLCMTSA-N	0	0	180.291	3.182	10	0		AGAERN
C/C=C\OC=CNc1ccccc1	308027360	572446127	/nfs/dbraw/zinc/44/61/27/572446127.db2.gz	YLFQXJONYBPNJP-NGHONOGQSA-N	0	0	175.231	3.120	10	0		AGAERN
CCOc1ccc(CC)cc1OCC	32166647	572448599	/nfs/dbraw/zinc/44/85/99/572448599.db2.gz	UBLKIWURCMXRBT-UHFFFAOYSA-N	0	0	194.274	3.046	10	0		AGAERN
Nc1ccc2cc(-c3ccco3)[nH]c2c1	74238311	572446160	/nfs/dbraw/zinc/44/61/60/572446160.db2.gz	ZRKIKYPNBFAFDG-UHFFFAOYSA-N	0	0	198.225	3.010	10	0		AGAERN
CCC(O)(CC)CCC=C(C)C	32164525	572448632	/nfs/dbraw/zinc/44/86/32/572448632.db2.gz	OKANGIKHTABXMV-UHFFFAOYSA-N	0	0	170.296	3.284	10	0		AGAERN
Cc1ccc([C@@H](O)CCC2CC2)cc1	83936166	572446632	/nfs/dbraw/zinc/44/66/32/572446632.db2.gz	UYBNARQJDVIVEG-ZDUSSCGKSA-N	0	0	190.286	3.219	10	0		AGAERN
C[C@H]1CC[C@H](C(=O)CCC2CC2)C1	83936044	572446668	/nfs/dbraw/zinc/44/66/68/572446668.db2.gz	DSUURWJULUTNIB-ONGXEEELSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1ccc([C@H](O)CCC2CC2)cc1	83936163	572446717	/nfs/dbraw/zinc/44/67/17/572446717.db2.gz	UYBNARQJDVIVEG-CYBMUJFWSA-N	0	0	190.286	3.219	10	0		AGAERN
O[C@@H](CCC1CC1)C1CCCCC1	83936291	572448649	/nfs/dbraw/zinc/44/86/49/572448649.db2.gz	RKHYXPYNZJXTDI-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
O[C@@H](CCC1CC1)c1cccc(F)c1	83936138	572447000	/nfs/dbraw/zinc/44/70/00/572447000.db2.gz	FMKSHFWRQGHTBD-LBPRGKRZSA-N	0	0	194.249	3.049	10	0		AGAERN
O[C@H](CCC1CC1)c1cccc(F)c1	83936133	572447012	/nfs/dbraw/zinc/44/70/12/572447012.db2.gz	FMKSHFWRQGHTBD-GFCCVEGCSA-N	0	0	194.249	3.049	10	0		AGAERN
C[C@@H]1CC[C@@H](C(=O)CCC2CC2)C1	83936047	572447099	/nfs/dbraw/zinc/44/70/99/572447099.db2.gz	DSUURWJULUTNIB-MWLCHTKSSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@@H](C)C[C@@H](C)n1cccc1C=O	83865593	572447153	/nfs/dbraw/zinc/44/71/53/572447153.db2.gz	ZJQOVEJWCXYKED-GHMZBOCLSA-N	0	0	193.290	3.298	10	0		AGAERN
Cc1cccc([C@H](O)CCC2CC2)c1	83936278	572447487	/nfs/dbraw/zinc/44/74/87/572447487.db2.gz	WSMBTOIDROMOAB-CYBMUJFWSA-N	0	0	190.286	3.219	10	0		AGAERN
O[C@H](CCC1CC1)C1CCCCC1	83936289	572448138	/nfs/dbraw/zinc/44/81/38/572448138.db2.gz	RKHYXPYNZJXTDI-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
C/C=C\OC=CNc1ccccc1	308027359	572449423	/nfs/dbraw/zinc/44/94/23/572449423.db2.gz	YLFQXJONYBPNJP-KQIQSOCESA-N	0	0	175.231	3.120	10	0		AGAERN
CC[C@H](C)C[C@H](C)n1cccc1C=O	83865598	572448324	/nfs/dbraw/zinc/44/83/24/572448324.db2.gz	ZJQOVEJWCXYKED-QWRGUYRKSA-N	0	0	193.290	3.298	10	0		AGAERN
CCCC[C@H]1CC(=O)[C@@H]1C(C)C	238242049	572448419	/nfs/dbraw/zinc/44/84/19/572448419.db2.gz	PMFNGMSFGXRJLQ-GXSJLCMTSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)CCCC(C)=C(C)C	197359556	572448664	/nfs/dbraw/zinc/44/86/64/572448664.db2.gz	WKWMPLUZSSKIBE-UHFFFAOYSA-N	0	0	154.253	3.102	10	0		AGAERN
Cc1cccc([C@@H](O)CCC2CC2)c1	83936281	572448917	/nfs/dbraw/zinc/44/89/17/572448917.db2.gz	WSMBTOIDROMOAB-ZDUSSCGKSA-N	0	0	190.286	3.219	10	0		AGAERN
O[C@H](CCC1CC1)c1ccc(F)cc1	83936126	572449099	/nfs/dbraw/zinc/44/90/99/572449099.db2.gz	IQFKIJCQTRMRND-GFCCVEGCSA-N	0	0	194.249	3.049	10	0		AGAERN
O[C@@H](CCC1CC1)c1ccc(F)cc1	83936131	572449458	/nfs/dbraw/zinc/44/94/58/572449458.db2.gz	IQFKIJCQTRMRND-LBPRGKRZSA-N	0	0	194.249	3.049	10	0		AGAERN
Cc1ccccc1[C@H](O)CCC1CC1	83936268	572449508	/nfs/dbraw/zinc/44/95/08/572449508.db2.gz	XABWKSYWFFDZPT-CYBMUJFWSA-N	0	0	190.286	3.219	10	0		AGAERN
CC[C@H](C)C[C@@H](C)n1cccc1C=O	83865594	572449513	/nfs/dbraw/zinc/44/95/13/572449513.db2.gz	ZJQOVEJWCXYKED-WDEREUQCSA-N	0	0	193.290	3.298	10	0		AGAERN
CC[C@H](C)C[C@H](C)n1cccc1	83865612	572449560	/nfs/dbraw/zinc/44/95/60/572449560.db2.gz	KQUJSEIBSODOGN-QWRGUYRKSA-N	0	0	165.280	3.485	10	0		AGAERN
CC[C@@H](C)C[C@@H](C)n1cccc1	83865607	572449565	/nfs/dbraw/zinc/44/95/65/572449565.db2.gz	KQUJSEIBSODOGN-GHMZBOCLSA-N	0	0	165.280	3.485	10	0		AGAERN
CC[C@@H](C)C[C@H](C)n1cccc1	83865610	572449570	/nfs/dbraw/zinc/44/95/70/572449570.db2.gz	KQUJSEIBSODOGN-MNOVXSKESA-N	0	0	165.280	3.485	10	0		AGAERN
CC=C=CCCc1ccccc1C=O	238241552	572449580	/nfs/dbraw/zinc/44/95/80/572449580.db2.gz	TZYDUPVHWKAMQZ-UHFFFAOYSA-N	0	0	186.254	3.163	10	0		AGAERN
CCCC[C@H]1CC(=O)[C@H]1C(C)C	238242161	572449728	/nfs/dbraw/zinc/44/97/28/572449728.db2.gz	PMFNGMSFGXRJLQ-ONGXEEELSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@H](C)C[C@@H](C)n1cccc1	83865608	572449751	/nfs/dbraw/zinc/44/97/51/572449751.db2.gz	KQUJSEIBSODOGN-WDEREUQCSA-N	0	0	165.280	3.485	10	0		AGAERN
CC[C@@H](C)C[C@H](C)n1cccc1C=O	83865597	572449950	/nfs/dbraw/zinc/44/99/50/572449950.db2.gz	ZJQOVEJWCXYKED-MNOVXSKESA-N	0	0	193.290	3.298	10	0		AGAERN
C[C@@H]1CC[C@H](C(=O)CCC2CC2)C1	83936042	572450055	/nfs/dbraw/zinc/45/00/55/572450055.db2.gz	DSUURWJULUTNIB-KOLCDFICSA-N	0	0	180.291	3.182	10	0		AGAERN
C/C=C/OC=CNc1ccccc1	308027361	572450164	/nfs/dbraw/zinc/45/01/64/572450164.db2.gz	YLFQXJONYBPNJP-UKPNFZJCSA-N	0	0	175.231	3.120	10	0		AGAERN
CC1CCC([C@@H](O)CCC2CC2)CC1	83936455	572450346	/nfs/dbraw/zinc/45/03/46/572450346.db2.gz	ZORIGXUJDGQUNH-GDKBPFBDSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1ccc(OC/C=C\Cl)cc1	209034943	572450721	/nfs/dbraw/zinc/45/07/21/572450721.db2.gz	AAOHXVUURPSMLI-UQCOIBPSSA-N	0	0	182.650	3.126	10	0		AGAERN
CCc1ccc(OCCC2CC2)cc1	83940688	572450953	/nfs/dbraw/zinc/45/09/53/572450953.db2.gz	IPRHBDFUUHYNMP-UHFFFAOYSA-N	0	0	190.286	3.428	10	0		AGAERN
CCCCC=C=CCCCCO	238243701	572450973	/nfs/dbraw/zinc/45/09/73/572450973.db2.gz	IWGFQPHITQXKHW-UHFFFAOYSA-N	0	0	168.280	3.051	10	0		AGAERN
Cc1cn(Cc2ccco2)c(C)c1C	68944314	572451154	/nfs/dbraw/zinc/45/11/54/572451154.db2.gz	QYXNLHUDOMRYLF-UHFFFAOYSA-N	0	0	189.258	3.055	10	0		AGAERN
CCC[C@H](CC(C)C)[C@H](O)C1CC1	308031077	572451204	/nfs/dbraw/zinc/45/12/04/572451204.db2.gz	OHRPTVDRQCXVHQ-VXGBXAGGSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1ccc(OCCC2CC2)c(C)c1	83940697	572451276	/nfs/dbraw/zinc/45/12/76/572451276.db2.gz	BABMMRBEUZFVON-UHFFFAOYSA-N	0	0	190.286	3.482	10	0		AGAERN
CCCCC/C=C1\CCCO1	207362849	572451364	/nfs/dbraw/zinc/45/13/64/572451364.db2.gz	GIROVIKDRVUXHR-JXMROGBWSA-N	0	0	154.253	3.261	10	0		AGAERN
C[C@@H]1CCC[C@@H]([C@H](O)CCC2CC2)C1	83936446	572451439	/nfs/dbraw/zinc/45/14/39/572451439.db2.gz	AOBHSUIKDKEMKY-RAIGVLPGSA-N	0	0	196.334	3.364	10	0		AGAERN
CCCCCNC(=S)C=C(C)C	238247248	572451731	/nfs/dbraw/zinc/45/17/31/572451731.db2.gz	KIWMSKGXSNGQRS-UHFFFAOYSA-N	0	0	185.336	3.060	10	0		AGAERN
Cc1sc(C=O)cc1CCC(C)C	74241023	572451866	/nfs/dbraw/zinc/45/18/66/572451866.db2.gz	HHSZTZRGJXVETR-UHFFFAOYSA-N	0	0	196.315	3.458	10	0		AGAERN
CCCC(=S)OCc1ccc(C)o1	238247600	572451913	/nfs/dbraw/zinc/45/19/13/572451913.db2.gz	UZPPPYOVSKIOBI-UHFFFAOYSA-N	0	0	198.287	3.232	10	0		AGAERN
CC1CCC([C@H](O)CCC2CC2)CC1	83936451	572451987	/nfs/dbraw/zinc/45/19/87/572451987.db2.gz	ZORIGXUJDGQUNH-KGPNIALWSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@H]1CC[C@H]([C@H](O)CCC2CC2)C1	83936941	572452094	/nfs/dbraw/zinc/45/20/94/572452094.db2.gz	ISMGNKXGLNRJKO-KGYLQXTDSA-N	0	0	196.334	3.364	10	0		AGAERN
CCc1sc(C=O)cc1CC(C)C	74241021	572452176	/nfs/dbraw/zinc/45/21/76/572452176.db2.gz	LISIXUZZVWMYGW-UHFFFAOYSA-N	0	0	196.315	3.322	10	0		AGAERN
CCc1cccc(OCCC2CC2)c1	83940691	572452260	/nfs/dbraw/zinc/45/22/60/572452260.db2.gz	OSXKBSOZQFGKSF-UHFFFAOYSA-N	0	0	190.286	3.428	10	0		AGAERN
CCc1ccccc1OCCC1CC1	83940694	572452289	/nfs/dbraw/zinc/45/22/89/572452289.db2.gz	YIJMZSFEPNZZBP-UHFFFAOYSA-N	0	0	190.286	3.428	10	0		AGAERN
CCC[C@H](CC(C)C)[C@@H](O)C1CC1	308031071	572452350	/nfs/dbraw/zinc/45/23/50/572452350.db2.gz	OHRPTVDRQCXVHQ-NEPJUHHUSA-N	0	0	184.323	3.220	10	0		AGAERN
CCCCSC(=O)NC(C)(C)C	238245422	572452390	/nfs/dbraw/zinc/45/23/90/572452390.db2.gz	JUSUNHVARVWMHG-UHFFFAOYSA-N	0	0	189.324	3.028	10	0		AGAERN
O[C@H](CCC1CC1)c1ccccc1F	83936578	572452507	/nfs/dbraw/zinc/45/25/07/572452507.db2.gz	BDJHOVYUINSLCM-GFCCVEGCSA-N	0	0	194.249	3.049	10	0		AGAERN
Cc1cc(C)cc(OCCC2CC2)c1	83940702	572452519	/nfs/dbraw/zinc/45/25/19/572452519.db2.gz	AUGLNIJAIDZGJY-UHFFFAOYSA-N	0	0	190.286	3.482	10	0		AGAERN
CCC[C@H](C)C(CO)[C@@H](C)CCC	238246709	572452564	/nfs/dbraw/zinc/45/25/64/572452564.db2.gz	XTNDRRQPSVCHKA-QWRGUYRKSA-N	0	0	186.339	3.467	10	0		AGAERN
CCCC[C@H]1C[C@@H]1C(=O)C(C)C	238245348	572452566	/nfs/dbraw/zinc/45/25/66/572452566.db2.gz	GNJRFRWUFZCLPP-UWVGGRQHSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC[C@@H](CC(C)C)[C@@H](O)C1CC1	308031076	572452834	/nfs/dbraw/zinc/45/28/34/572452834.db2.gz	OHRPTVDRQCXVHQ-RYUDHWBXSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC[C@@H](CC(C)C)[C@H](O)C1CC1	308031074	572453060	/nfs/dbraw/zinc/45/30/60/572453060.db2.gz	OHRPTVDRQCXVHQ-NWDGAFQWSA-N	0	0	184.323	3.220	10	0		AGAERN
CCc1ccncc1Cc1ccccc1	90415716	572453147	/nfs/dbraw/zinc/45/31/47/572453147.db2.gz	LQUAWPWNZONFAS-UHFFFAOYSA-N	0	0	197.281	3.235	10	0		AGAERN
C=C=C(CCCCC)[C@H](O)/C=C/C	238247259	572453208	/nfs/dbraw/zinc/45/32/08/572453208.db2.gz	ZONSDMPAUDPSMX-BIPYJSMBSA-N	0	0	180.291	3.215	10	0		AGAERN
O[C@@H](CCC1CC1)c1ccccc1F	83936582	572453348	/nfs/dbraw/zinc/45/33/48/572453348.db2.gz	BDJHOVYUINSLCM-LBPRGKRZSA-N	0	0	194.249	3.049	10	0		AGAERN
C=C=C(CCCCC)[C@@H](O)/C=C/C	238247225	572453485	/nfs/dbraw/zinc/45/34/85/572453485.db2.gz	ZONSDMPAUDPSMX-LHXVZLOVSA-N	0	0	180.291	3.215	10	0		AGAERN
CCCCCc1c[nH]c2cccnc12	238246962	572453517	/nfs/dbraw/zinc/45/35/17/572453517.db2.gz	QEOFXUJPZYJENP-UHFFFAOYSA-N	0	0	188.274	3.296	10	0		AGAERN
CC[C@H](C)Cn1cc(C)c(C)c1C	68944301	572453778	/nfs/dbraw/zinc/45/37/78/572453778.db2.gz	LGBNLLSUQRHNOU-VIFPVBQESA-N	0	0	179.307	3.459	10	0		AGAERN
CCCCC(=C=C(C)C)CCO	90425011	572454286	/nfs/dbraw/zinc/45/42/86/572454286.db2.gz	KQDDQOSJADCGKZ-UHFFFAOYSA-N	0	0	168.280	3.051	10	0		AGAERN
CCCCSc1oc(C)cc1C=O	238249990	572454432	/nfs/dbraw/zinc/45/44/32/572454432.db2.gz	AKTCJEMKYSAFCE-UHFFFAOYSA-N	0	0	198.287	3.293	10	0		AGAERN
CCCCCc1ccc(F)c(N)c1	238248143	572454457	/nfs/dbraw/zinc/45/44/57/572454457.db2.gz	RRNIONTXDCXLST-UHFFFAOYSA-N	0	0	181.254	3.141	10	0		AGAERN
CC[C@@H](C)Cn1cc(C)c(C)c1C	68944299	572454506	/nfs/dbraw/zinc/45/45/06/572454506.db2.gz	LGBNLLSUQRHNOU-SECBINFHSA-N	0	0	179.307	3.459	10	0		AGAERN
Cc1cn(C/C=C/Cl)c(C)c1C	68944330	572455156	/nfs/dbraw/zinc/45/51/56/572455156.db2.gz	IKQPKNLKBWBTDH-SNAWJCMRSA-N	0	0	183.682	3.166	10	0		AGAERN
CCCCCc1ccc([C@@H](C)O)o1	238248450	572455249	/nfs/dbraw/zinc/45/52/49/572455249.db2.gz	UAFLNLJMKFCYQH-SECBINFHSA-N	0	0	182.263	3.066	10	0		AGAERN
CCCCCc1ccc([C@H](C)O)o1	238248538	572455304	/nfs/dbraw/zinc/45/53/04/572455304.db2.gz	UAFLNLJMKFCYQH-VIFPVBQESA-N	0	0	182.263	3.066	10	0		AGAERN
CCC[C@@H](C)C[C@H](C)C[C@H](C)O	238249900	572455663	/nfs/dbraw/zinc/45/56/63/572455663.db2.gz	BYULJDHGBDPJTA-VWYCJHECSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCC[C@@H](CO)CC=C(C)C	90426132	572456057	/nfs/dbraw/zinc/45/60/57/572456057.db2.gz	RFUQDLXFOUYRAI-LLVKDONJSA-N	0	0	170.296	3.141	10	0		AGAERN
CCCC[C@](C)(CCC)CCO	238251897	572456234	/nfs/dbraw/zinc/45/62/34/572456234.db2.gz	WUPRNMXRDITOAU-NSHDSACASA-N	0	0	172.312	3.365	10	0		AGAERN
CCCCCC[C@H](CCCC)C(N)=O	90430959	572456399	/nfs/dbraw/zinc/45/63/99/572456399.db2.gz	KVGPZIVDRKYWSE-NSHDSACASA-N	0	0	199.338	3.249	10	0		AGAERN
CCC=C=C(C)C[C@H](O)CCC	238254791	572460703	/nfs/dbraw/zinc/46/07/03/572460703.db2.gz	VTMSSIOJENMSBU-QHDYGNBISA-N	0	0	168.280	3.049	10	0		AGAERN
CCCCC/C=C(/C)[C@H](O)CC	90430325	572456917	/nfs/dbraw/zinc/45/69/17/572456917.db2.gz	FGYRJHXJMWIBKO-DWOQACPDSA-N	0	0	170.296	3.284	10	0		AGAERN
CCCCC/C=C(/C)[C@@H](O)CC	90430327	572457024	/nfs/dbraw/zinc/45/70/24/572457024.db2.gz	FGYRJHXJMWIBKO-JUDLJHIGSA-N	0	0	170.296	3.284	10	0		AGAERN
C[C@@H](C(=O)C1CCC1)c1ccccc1	235062536	572457144	/nfs/dbraw/zinc/45/71/44/572457144.db2.gz	OSCISLWKVIBFLC-SNVBAGLBSA-N	0	0	188.270	3.159	10	0		AGAERN
Cc1ccc2c(c1)[C@H](O)C[C@@H](C)CC2	61831873	572457565	/nfs/dbraw/zinc/45/75/65/572457565.db2.gz	WPXDTXQHORLXLM-GXFFZTMASA-N	0	0	190.286	3.001	10	0		AGAERN
CCc1cccc(NCCC2CC2)c1	83926324	572457574	/nfs/dbraw/zinc/45/75/74/572457574.db2.gz	BEEQYEWKEVAXGO-UHFFFAOYSA-N	0	0	189.302	3.461	10	0		AGAERN
CCCCCC/C(C)=C\CCO	90430214	572457891	/nfs/dbraw/zinc/45/78/91/572457891.db2.gz	MCSCOLZRRLKASB-LUAWRHEFSA-N	0	0	170.296	3.286	10	0		AGAERN
CCCC[C@@H](C)c1ccc(O)c(N)c1	238255371	572458081	/nfs/dbraw/zinc/45/80/81/572458081.db2.gz	COYLKAAJRXULFX-SECBINFHSA-N	0	0	193.290	3.268	10	0		AGAERN
Cc1ccc2c(c1)[C@@H](O)C[C@H](C)CC2	61831872	572458165	/nfs/dbraw/zinc/45/81/65/572458165.db2.gz	WPXDTXQHORLXLM-MFKMUULPSA-N	0	0	190.286	3.001	10	0		AGAERN
CCCCC[C@H](F)CCCCO	90428055	572458362	/nfs/dbraw/zinc/45/83/62/572458362.db2.gz	COJAQGJDCCEUAV-JTQLQIEISA-N	0	0	176.275	3.067	10	0		AGAERN
CCC[C@@H](O)CC[C@@H]1C=CCCC1	238255603	572458457	/nfs/dbraw/zinc/45/84/57/572458457.db2.gz	BTVCVLLWHQDYRV-VXGBXAGGSA-N	0	0	182.307	3.284	10	0		AGAERN
CCCC[C@H](CO)CC=C(C)C	90426129	572458966	/nfs/dbraw/zinc/45/89/66/572458966.db2.gz	RFUQDLXFOUYRAI-NSHDSACASA-N	0	0	170.296	3.141	10	0		AGAERN
O=C(CCC1CC1)Cc1cccs1	83935725	572459042	/nfs/dbraw/zinc/45/90/42/572459042.db2.gz	ARTGHOWYVCGCLY-UHFFFAOYSA-N	0	0	194.299	3.050	10	0		AGAERN
CCCC(=O)c1cncc2ccccc12	68949165	572459044	/nfs/dbraw/zinc/45/90/44/572459044.db2.gz	HQTDVMUXAZLQSS-UHFFFAOYSA-N	0	0	199.253	3.218	10	0		AGAERN
O=C(CCC1CC1)c1ccc(F)cc1	83935478	572459073	/nfs/dbraw/zinc/45/90/73/572459073.db2.gz	LXHJZWZQICEKID-UHFFFAOYSA-N	0	0	192.233	3.199	10	0		AGAERN
Cc1ccc2c(c1)[C@H](O)C[C@H](C)CC2	61831871	572459172	/nfs/dbraw/zinc/45/91/72/572459172.db2.gz	WPXDTXQHORLXLM-ZWNOBZJWSA-N	0	0	190.286	3.001	10	0		AGAERN
Nc1ccccc1SCCC1CC1	83926882	572459267	/nfs/dbraw/zinc/45/92/67/572459267.db2.gz	ATSFSSGJGDTOFK-UHFFFAOYSA-N	0	0	193.315	3.161	10	0		AGAERN
CCC[C@@H](O)CC[C@H]1C=CCCC1	238255509	572459431	/nfs/dbraw/zinc/45/94/31/572459431.db2.gz	BTVCVLLWHQDYRV-NWDGAFQWSA-N	0	0	182.307	3.284	10	0		AGAERN
CCCC[C@](C)(CO)c1ccccc1	238252106	572459493	/nfs/dbraw/zinc/45/94/93/572459493.db2.gz	UYVBZPNATQUAGV-CYBMUJFWSA-N	0	0	192.302	3.127	10	0		AGAERN
CCC[C@@H](O)CC[C@@H](C)C(C)C	238255382	572459499	/nfs/dbraw/zinc/45/94/99/572459499.db2.gz	SRHDYYLOXHPPCP-GHMZBOCLSA-N	0	0	172.312	3.220	10	0		AGAERN
O=C(CCC1CC1)c1ccccc1F	83935799	572459568	/nfs/dbraw/zinc/45/95/68/572459568.db2.gz	XFPOEDYVEBWEHK-UHFFFAOYSA-N	0	0	192.233	3.199	10	0		AGAERN
CC(C)(C)CC(=O)CCC1CC1	83935838	572459695	/nfs/dbraw/zinc/45/96/95/572459695.db2.gz	ONAYIOJRICCAPU-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCO[P@](=O)(/C=C/Cl)CC	238254189	572460840	/nfs/dbraw/zinc/46/08/40/572460840.db2.gz	ZSJQNMWCHHEYAV-ZRQQLDRUSA-N	0	0	196.614	3.421	10	0		AGAERN
CCCC[C@]1(CC)CCCCC(=O)N1	238255962	572459843	/nfs/dbraw/zinc/45/98/43/572459843.db2.gz	QUHBDAXRKOQKIZ-GFCCVEGCSA-N	0	0	197.322	3.016	10	0		AGAERN
CCC(O)(CC)[C@@H](C)CC(C)C	308028802	572459861	/nfs/dbraw/zinc/45/98/61/572459861.db2.gz	YQASFLSUYQAYEI-JTQLQIEISA-N	0	0	172.312	3.220	10	0		AGAERN
Cc1ccc(-c2sccc2N)s1	74243063	572459893	/nfs/dbraw/zinc/45/98/93/572459893.db2.gz	XWOZGEFHOVKBIA-UHFFFAOYSA-N	0	0	195.312	3.367	10	0		AGAERN
CCC[C@@H](O)C/C=C/C(C)(C)C	238253964	572459916	/nfs/dbraw/zinc/45/99/16/572459916.db2.gz	XEKDYYNYVADGBA-OLKPEBQYSA-N	0	0	170.296	3.140	10	0		AGAERN
O=Cc1cc(C2CCCCC2)ns1	74243284	572460040	/nfs/dbraw/zinc/46/00/40/572460040.db2.gz	LXTUYKUBJGNVQI-UHFFFAOYSA-N	0	0	195.287	3.003	10	0		AGAERN
CCC(O)(CC)[C@H](C)CC(C)C	308028807	572460210	/nfs/dbraw/zinc/46/02/10/572460210.db2.gz	YQASFLSUYQAYEI-SNVBAGLBSA-N	0	0	172.312	3.220	10	0		AGAERN
Nc1ccc(SCCC2CC2)cc1	83926889	572460573	/nfs/dbraw/zinc/46/05/73/572460573.db2.gz	RYSHKWYOBCTFPV-UHFFFAOYSA-N	0	0	193.315	3.161	10	0		AGAERN
Cc1ccc(C(=O)CCC2CC2)cc1	83935495	572460612	/nfs/dbraw/zinc/46/06/12/572460612.db2.gz	RISMOOAHFCOJTI-UHFFFAOYSA-N	0	0	188.270	3.368	10	0		AGAERN
Cc1ccsc1-c1sccc1N	74243061	572461169	/nfs/dbraw/zinc/46/11/69/572461169.db2.gz	ZTLOPFKVXOZCIU-UHFFFAOYSA-N	0	0	195.312	3.367	10	0		AGAERN
CC(C)CCC(=O)CCC1CC1	83935649	572461628	/nfs/dbraw/zinc/46/16/28/572461628.db2.gz	TZPGSUAWULRCOA-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
O=C(CCC1CC1)C1CCCCC1	83935588	572461632	/nfs/dbraw/zinc/46/16/32/572461632.db2.gz	WINQVMSBRAFLDP-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
Cc1ccccc1C(=O)CCC1CC1	83935573	572461661	/nfs/dbraw/zinc/46/16/61/572461661.db2.gz	SMIGVERPPVJPMM-UHFFFAOYSA-N	0	0	188.270	3.368	10	0		AGAERN
CCCC1=C([C@H](O)CCC)CCC1	238254130	572461777	/nfs/dbraw/zinc/46/17/77/572461777.db2.gz	KSAMOWFNHBYENN-GFCCVEGCSA-N	0	0	182.307	3.428	10	0		AGAERN
Cc1csc(-c2sccc2N)c1	74243064	572461830	/nfs/dbraw/zinc/46/18/30/572461830.db2.gz	AAXFXBMYFIDALP-UHFFFAOYSA-N	0	0	195.312	3.367	10	0		AGAERN
C=C=C(c1ccccc1)[C@H](O)CCC	238253408	572461882	/nfs/dbraw/zinc/46/18/82/572461882.db2.gz	PPPUJUUSOPYRDO-CYBMUJFWSA-N	0	0	188.270	3.016	10	0		AGAERN
O=C(CCC1CC1)c1ccsc1	83935527	572462030	/nfs/dbraw/zinc/46/20/30/572462030.db2.gz	COCSRNDSWCQQPE-UHFFFAOYSA-N	0	0	180.272	3.121	10	0		AGAERN
O=C(CCC1CC1)c1cccs1	83935493	572462416	/nfs/dbraw/zinc/46/24/16/572462416.db2.gz	FULDESSDIYKPJY-UHFFFAOYSA-N	0	0	180.272	3.121	10	0		AGAERN
C/C=C/[C@@](CC)(CO)CCCC	238253716	572462511	/nfs/dbraw/zinc/46/25/11/572462511.db2.gz	AXVDPRSACPGDEX-AYLMVEPYSA-N	0	0	170.296	3.141	10	0		AGAERN
CC[C@@H](CC(C)C)[C@H](O)C=C(C)C	308035751	572462826	/nfs/dbraw/zinc/46/28/26/572462826.db2.gz	SXSXIBZVTBGQPL-NWDGAFQWSA-N	0	0	184.323	3.386	10	0		AGAERN
Fc1ccccc1/C=C\c1ccncc1	33692270	572463025	/nfs/dbraw/zinc/46/30/25/572463025.db2.gz	WNDNWQJFFMVEOP-WAYWQWQTSA-N	0	0	199.228	3.391	10	0		AGAERN
CC[C@@H](CC(C)C)[C@H](O)c1ccco1	308035766	572463060	/nfs/dbraw/zinc/46/30/60/572463060.db2.gz	SZKQEBJLQRQEOQ-JQWIXIFHSA-N	0	0	196.290	3.385	10	0		AGAERN
CCCC[C@]1(CC)CCCC1=O	238255946	572463064	/nfs/dbraw/zinc/46/30/64/572463064.db2.gz	GNSIEHBUJRLQAI-LLVKDONJSA-N	0	0	168.280	3.326	10	0		AGAERN
CC[C@H](CC(C)C)[C@@H](O)C=C(C)C	308035749	572463307	/nfs/dbraw/zinc/46/33/07/572463307.db2.gz	SXSXIBZVTBGQPL-NEPJUHHUSA-N	0	0	184.323	3.386	10	0		AGAERN
CCOc1ccccc1OC1CCC1	238256410	572463633	/nfs/dbraw/zinc/46/36/33/572463633.db2.gz	ZRBHUPQMYRNRFN-UHFFFAOYSA-N	0	0	192.258	3.017	10	0		AGAERN
CCCC[C@]1(CC)[C@@H](O)CC1(C)C	238256242	572463711	/nfs/dbraw/zinc/46/37/11/572463711.db2.gz	YUZZLJCTISSLKH-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@@H](O)Sc1ccc(C)cc1	238256682	572464240	/nfs/dbraw/zinc/46/42/40/572464240.db2.gz	PRSMJQUFHKRGLB-NSHDSACASA-N	0	0	196.315	3.206	10	0		AGAERN
CCCC[C@@]1(CC)C(=O)C[C@H]1C	238256280	572464345	/nfs/dbraw/zinc/46/43/45/572464345.db2.gz	SWDCSUXKSLBPJO-MWLCHTKSSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@H](CC(C)C)[C@@H](O)c1ccco1	308035769	572464467	/nfs/dbraw/zinc/46/44/67/572464467.db2.gz	SZKQEBJLQRQEOQ-ZYHUDNBSSA-N	0	0	196.290	3.385	10	0		AGAERN
CCC[C@@H](O)Cc1ccc(C)cc1C	238256318	572464649	/nfs/dbraw/zinc/46/46/49/572464649.db2.gz	INQIHDDIIBDSNY-CYBMUJFWSA-N	0	0	192.302	3.007	10	0		AGAERN
CCNc1cscc1N(CC)CC	238256612	572465038	/nfs/dbraw/zinc/46/50/38/572465038.db2.gz	CAOAGXLCWACCAZ-UHFFFAOYSA-N	0	0	198.335	3.026	10	0		AGAERN
CCC[C@@H](O)CCC1=CCCCC1	238255085	572465048	/nfs/dbraw/zinc/46/50/48/572465048.db2.gz	QSSKZJXQQXVOBB-GFCCVEGCSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H](CC(C)C)[C@H](O)c1ccco1	308035768	572465112	/nfs/dbraw/zinc/46/51/12/572465112.db2.gz	SZKQEBJLQRQEOQ-PWSUYJOCSA-N	0	0	196.290	3.385	10	0		AGAERN
CC[C@@H](CC(C)C)[C@@H](O)c1ccco1	308035764	572465468	/nfs/dbraw/zinc/46/54/68/572465468.db2.gz	SZKQEBJLQRQEOQ-CMPLNLGQSA-N	0	0	196.290	3.385	10	0		AGAERN
CC[C@H](CC(C)C)[C@H](O)C=C(C)C	308035755	572465502	/nfs/dbraw/zinc/46/55/02/572465502.db2.gz	SXSXIBZVTBGQPL-VXGBXAGGSA-N	0	0	184.323	3.386	10	0		AGAERN
CSC1CCC(n2cccc2)CC1	235066661	572465768	/nfs/dbraw/zinc/46/57/68/572465768.db2.gz	TUXFVJSKRSGZFQ-UHFFFAOYSA-N	0	0	195.331	3.335	10	0		AGAERN
CCC[C@@H](O)CC12CCC(CC1)C2	238254933	572466085	/nfs/dbraw/zinc/46/60/85/572466085.db2.gz	UGPXEOVZLBCIEN-MOENNCHZSA-N	0	0	182.307	3.118	10	0		AGAERN
C/C=C/CNc1ccccc1SC	235068055	572466319	/nfs/dbraw/zinc/46/63/19/572466319.db2.gz	UQIMZSJRVPNINP-ONEGZZNKSA-N	0	0	193.315	3.397	10	0		AGAERN
CC(C)Cc1cccc2c1NCCC2	69050804	572466490	/nfs/dbraw/zinc/46/64/90/572466490.db2.gz	GBWRQVHEIVNKKF-UHFFFAOYSA-N	0	0	189.302	3.243	10	0		AGAERN
c1ccc([C@@H]2C[C@@H]2n2cccc2)cc1	44659775	572466795	/nfs/dbraw/zinc/46/67/95/572466795.db2.gz	NTIVBOBFDNJOBO-STQMWFEESA-N	0	0	183.254	3.217	10	0		AGAERN
C[C@H](CO)C[Si](C)(C)C(C)(C)C	308036918	572466954	/nfs/dbraw/zinc/46/69/54/572466954.db2.gz	KZAUVQFLYKCFGD-SECBINFHSA-N	0	0	188.387	3.123	10	0		AGAERN
c1ccc([C@H]2C[C@H]2n2cccc2)cc1	44659781	572467469	/nfs/dbraw/zinc/46/74/69/572467469.db2.gz	NTIVBOBFDNJOBO-CHWSQXEVSA-N	0	0	183.254	3.217	10	0		AGAERN
CC1(C)CCc2c(csc2C=O)C1	74245700	572467745	/nfs/dbraw/zinc/46/77/45/572467745.db2.gz	LDBGIZBVDSDAIQ-UHFFFAOYSA-N	0	0	194.299	3.076	10	0		AGAERN
CCO[C@H](Oc1ccccc1)C(C)C	90471406	572468049	/nfs/dbraw/zinc/46/80/49/572468049.db2.gz	DAEHQZQPSRXDEQ-GFCCVEGCSA-N	0	0	194.274	3.084	10	0		AGAERN
c1ccc([C@@H]2C[C@H]2n2cccc2)cc1	44659779	572468064	/nfs/dbraw/zinc/46/80/64/572468064.db2.gz	NTIVBOBFDNJOBO-QWHCGFSZSA-N	0	0	183.254	3.217	10	0		AGAERN
CC1(C)CCc2csc(C=O)c2C1	74245701	572468258	/nfs/dbraw/zinc/46/82/58/572468258.db2.gz	QYUCTRXRUWJHKH-UHFFFAOYSA-N	0	0	194.299	3.076	10	0		AGAERN
Cc1cc(Cl)cc2c(C=O)coc12	74245615	572468265	/nfs/dbraw/zinc/46/82/65/572468265.db2.gz	IXKZVARFUNXICV-UHFFFAOYSA-N	0	0	194.617	3.207	10	0		AGAERN
CC[C@@H](CC(C)C)[C@]1(O)[C@H]2CCC[C@H]21	308037235	572468484	/nfs/dbraw/zinc/46/84/84/572468484.db2.gz	VNTMCOZHMYYCNR-RVMXOQNASA-N	0	0	196.334	3.220	10	0		AGAERN
CCCCc1cccc2c1NCCC2	69050815	572468707	/nfs/dbraw/zinc/46/87/07/572468707.db2.gz	XDUCUFRILSWHLV-UHFFFAOYSA-N	0	0	189.302	3.387	10	0		AGAERN
CC[C@@H](/C(C)=C/CO)c1ccccc1	238258061	572468994	/nfs/dbraw/zinc/46/89/94/572468994.db2.gz	MDIAXGRHZGTLSP-STRFDMGBSA-N	0	0	190.286	3.119	10	0		AGAERN
CC(C)CO/C=C1\CC=CCC1	207479288	572469160	/nfs/dbraw/zinc/46/91/60/572469160.db2.gz	WNWLBKGKNLCZNY-PKNBQFBNSA-N	0	0	166.264	3.283	10	0		AGAERN
CC[C@H](CC(C)C)[C@]1(O)[C@H]2CCC[C@H]21	308037233	572469343	/nfs/dbraw/zinc/46/93/43/572469343.db2.gz	VNTMCOZHMYYCNR-FVCCEPFGSA-N	0	0	196.334	3.220	10	0		AGAERN
CC[C@@H](C)O[C@@H](C)c1ccccc1O	238260602	572472521	/nfs/dbraw/zinc/47/25/21/572472521.db2.gz	XRWDUQIWBKZCQM-ZJUUUORDSA-N	0	0	194.274	3.268	10	0		AGAERN
C=C=C(c1ccccc1)[C@@H](O)CCC	238260403	572472531	/nfs/dbraw/zinc/47/25/31/572472531.db2.gz	PPPUJUUSOPYRDO-ZDUSSCGKSA-N	0	0	188.270	3.016	10	0		AGAERN
CC1=CC=NC(=Nc2ccccc2)CC1	238257643	572470119	/nfs/dbraw/zinc/47/01/19/572470119.db2.gz	WOQPITPYVMMCOG-UHFFFAOYSA-N	0	0	198.269	3.361	10	0		AGAERN
CCCC[C@@H](CC)C(=O)[C@@H](C)F	238257542	572470794	/nfs/dbraw/zinc/47/07/94/572470794.db2.gz	IXOZELQNBRGVDK-RKDXNWHRSA-N	0	0	174.259	3.130	10	0		AGAERN
CCCC[C@@H](CC)C(=O)[C@H](C)F	238257562	572471289	/nfs/dbraw/zinc/47/12/89/572471289.db2.gz	IXOZELQNBRGVDK-DTWKUNHWSA-N	0	0	174.259	3.130	10	0		AGAERN
C/C=C\[C@H](C)Nc1ccc(C)cc1	308038343	572471607	/nfs/dbraw/zinc/47/16/07/572471607.db2.gz	XKWAZHHPHYFZRD-WYGGZMRJSA-N	0	0	175.275	3.372	10	0		AGAERN
CCC[C@H](C)c1c[nH]c(SC)n1	238260323	572472055	/nfs/dbraw/zinc/47/20/55/572472055.db2.gz	HRISAZKFQKJBNP-ZETCQYMHSA-N	0	0	184.308	3.035	10	0		AGAERN
CO/C(=C/Cl)CCc1ccccc1	308038594	572472400	/nfs/dbraw/zinc/47/24/00/572472400.db2.gz	ZWYFVQMZKKHCFT-PKNBQFBNSA-N	0	0	196.677	3.346	10	0		AGAERN
CCc1cc2ccccc2nc1CC	44710121	572472449	/nfs/dbraw/zinc/47/24/49/572472449.db2.gz	ZHWSBRWJSHSNHL-UHFFFAOYSA-N	0	0	185.270	3.360	10	0		AGAERN
CCCOc1ccc(CCC)c(O)c1	238259434	572472810	/nfs/dbraw/zinc/47/28/10/572472810.db2.gz	FLWBNLRFCXZRHT-UHFFFAOYSA-N	0	0	194.274	3.134	10	0		AGAERN
C=C/C=C\CC[C@H](O)[C@@H]1CC[C@@H](C)C1	713715048	572472889	/nfs/dbraw/zinc/47/28/89/572472889.db2.gz	CVDLWJWLRSQYTN-VAFQMXCQSA-N	0	0	194.318	3.306	10	0		AGAERN
C/C=C\CSc1ccccc1NC	308039040	572473346	/nfs/dbraw/zinc/47/33/46/572473346.db2.gz	YQDALJNGCZNBFB-ARJAWSKDSA-N	0	0	193.315	3.397	10	0		AGAERN
C=C/C=C/CC[C@H](O)[C@@H]1CC[C@H](C)C1	713715065	572473406	/nfs/dbraw/zinc/47/34/06/572473406.db2.gz	CVDLWJWLRSQYTN-VTYAVTIVSA-N	0	0	194.318	3.306	10	0		AGAERN
CCCCc1[nH]c(C)c(C(C)=O)c1C	238260359	572473427	/nfs/dbraw/zinc/47/34/27/572473427.db2.gz	PSEGBJPPBAVWLT-UHFFFAOYSA-N	0	0	193.290	3.177	10	0		AGAERN
CCC[C@H](O)/C(F)=C(\F)[C@H](C)CC	238260162	572473542	/nfs/dbraw/zinc/47/35/42/572473542.db2.gz	MBWOBGOLLVLKQB-CRZLOUGTSA-N	0	0	192.249	3.344	10	0		AGAERN
CCC[C@H](O)/C(F)=C(\F)CC(C)C	238260150	572473548	/nfs/dbraw/zinc/47/35/48/572473548.db2.gz	NWJHUFDNBSHXPO-WKMLFNHBSA-N	0	0	192.249	3.344	10	0		AGAERN
CCC[C@H](O)/C(=C/c1ccco1)CC	238260129	572473570	/nfs/dbraw/zinc/47/35/70/572473570.db2.gz	NHELGOIXUYSSMV-VMPCVLLUSA-N	0	0	194.274	3.234	10	0		AGAERN
C=C=C(C1=CCCCC1)[C@@H](O)CCC	238260363	572473689	/nfs/dbraw/zinc/47/36/89/572473689.db2.gz	KNGNJSDGXMZFQO-ZDUSSCGKSA-N	0	0	192.302	3.359	10	0		AGAERN
CC[C@@H](C)C(=O)C(C)(CC)CC	238258828	572473715	/nfs/dbraw/zinc/47/37/15/572473715.db2.gz	MCWZLNKUDBAWDN-SECBINFHSA-N	0	0	170.296	3.428	10	0		AGAERN
CCC[C@@H](O)[C@H](CC)Cc1ccco1	238259307	572473977	/nfs/dbraw/zinc/47/39/77/572473977.db2.gz	LFXWQPHYFHNCKQ-ZYHUDNBSSA-N	0	0	196.290	3.009	10	0		AGAERN
CC[C@@H](C)C(=O)[C@@H](C)C(C)(C)C	238260754	572474353	/nfs/dbraw/zinc/47/43/53/572474353.db2.gz	WFIZQKNRPJNEIY-RKDXNWHRSA-N	0	0	170.296	3.284	10	0		AGAERN
CC[C@@H](C)C(=O)C(C)(C)C(C)C	238258809	572474365	/nfs/dbraw/zinc/47/43/65/572474365.db2.gz	MRTFQXSXDVBTDA-SECBINFHSA-N	0	0	170.296	3.284	10	0		AGAERN
CCCCc1c(C)[nH]c(C)c1C(C)=O	238260667	572474528	/nfs/dbraw/zinc/47/45/28/572474528.db2.gz	MTMVEGJFDTZAAH-UHFFFAOYSA-N	0	0	193.290	3.177	10	0		AGAERN
CCCC1=C([C@@H](O)CCC)CCC1	238261000	572475699	/nfs/dbraw/zinc/47/56/99/572475699.db2.gz	KSAMOWFNHBYENN-LBPRGKRZSA-N	0	0	182.307	3.428	10	0		AGAERN
C/C=C(\c1ccccc1)[C@H](O)CCC	238261049	572475716	/nfs/dbraw/zinc/47/57/16/572475716.db2.gz	CGHWNDADSMVCGF-YKAQBRKTSA-N	0	0	190.286	3.251	10	0		AGAERN
CCC[C@@H](O)/C=C(/CC)C(C)C	238261194	572475769	/nfs/dbraw/zinc/47/57/69/572475769.db2.gz	SPDZEBFXOMMRTF-HIJJYWJESA-N	0	0	170.296	3.140	10	0		AGAERN
CCCCc1cc(O)ccc1CC	238262848	572478524	/nfs/dbraw/zinc/47/85/24/572478524.db2.gz	AGKJGSFVZIMDLV-UHFFFAOYSA-N	0	0	178.275	3.297	10	0		AGAERN
CCC[C@@H](O)/C=C(/C)c1ccccc1	238261175	572476089	/nfs/dbraw/zinc/47/60/89/572476089.db2.gz	IWIFSHKQJXVUPV-BSYHEUMXSA-N	0	0	190.286	3.251	10	0		AGAERN
CCC[C@H](O)C/C=C/C(C)(C)C	238260858	572476243	/nfs/dbraw/zinc/47/62/43/572476243.db2.gz	XEKDYYNYVADGBA-ZKXNXJMVSA-N	0	0	170.296	3.140	10	0		AGAERN
CC[C@@H](C)O[C@H](C)c1ccccc1O	238260954	572476348	/nfs/dbraw/zinc/47/63/48/572476348.db2.gz	XRWDUQIWBKZCQM-NXEZZACHSA-N	0	0	194.274	3.268	10	0		AGAERN
CCC[C@@H](C)c1c[nH]c(SC)n1	238261358	572476524	/nfs/dbraw/zinc/47/65/24/572476524.db2.gz	HRISAZKFQKJBNP-SSDOTTSWSA-N	0	0	184.308	3.035	10	0		AGAERN
Cc1cc([C@@H](C)n2cccc2)c(C)o1	44731174	572476607	/nfs/dbraw/zinc/47/66/07/572476607.db2.gz	UVTPZIJFACFDHO-SNVBAGLBSA-N	0	0	189.258	3.307	10	0		AGAERN
CC[C@@H](C)C(=O)[C@H](C)C(C)(C)C	238260794	572476840	/nfs/dbraw/zinc/47/68/40/572476840.db2.gz	WFIZQKNRPJNEIY-BDAKNGLRSA-N	0	0	170.296	3.284	10	0		AGAERN
CC[C@@H](C)C(C)(C)[C@H](C)C(C)=O	238261065	572476875	/nfs/dbraw/zinc/47/68/75/572476875.db2.gz	JGQYQKQMSFATJC-RKDXNWHRSA-N	0	0	170.296	3.284	10	0		AGAERN
CC[C@@H](C)C(C)(C)[C@@H](C)C(C)=O	238261056	572477105	/nfs/dbraw/zinc/47/71/05/572477105.db2.gz	JGQYQKQMSFATJC-BDAKNGLRSA-N	0	0	170.296	3.284	10	0		AGAERN
Cc1cn(CC(C)(C)C)c(C)c1C	34179777	572477351	/nfs/dbraw/zinc/47/73/51/572477351.db2.gz	CAXGOIDUATVRQD-UHFFFAOYSA-N	0	0	179.307	3.459	10	0		AGAERN
C=COC1CCCCCCC1	34301079	572477377	/nfs/dbraw/zinc/47/73/77/572477377.db2.gz	ORAFCUXGWRDXAC-UHFFFAOYSA-N	0	0	154.253	3.259	10	0		AGAERN
Cc1cc([C@H](C)n2cccc2)c(C)o1	44731175	572478188	/nfs/dbraw/zinc/47/81/88/572478188.db2.gz	UVTPZIJFACFDHO-JTQLQIEISA-N	0	0	189.258	3.307	10	0		AGAERN
C/C=C\COc1ccc(F)c(C)c1	308040105	572478222	/nfs/dbraw/zinc/47/82/22/572478222.db2.gz	AFUPQCZARRNVNT-ARJAWSKDSA-N	0	0	180.222	3.089	10	0		AGAERN
CCC[C@H](O)[C@@H](C)CC=C(C)C	238263179	572478287	/nfs/dbraw/zinc/47/82/87/572478287.db2.gz	HMIZMZRGPSWABK-QWRGUYRKSA-N	0	0	170.296	3.140	10	0		AGAERN
CC[C@@H](C)CCCCCCCC(N)=O	238262842	572478315	/nfs/dbraw/zinc/47/83/15/572478315.db2.gz	IHQYYPOXAWZCFI-LLVKDONJSA-N	0	0	199.338	3.249	10	0		AGAERN
CCC[C@H](O)Sc1ccc(C)cc1	238263053	572478456	/nfs/dbraw/zinc/47/84/56/572478456.db2.gz	PRSMJQUFHKRGLB-LLVKDONJSA-N	0	0	196.315	3.206	10	0		AGAERN
CC[C@@H](C)CCOc1ccc(O)cc1	238263232	572479302	/nfs/dbraw/zinc/47/93/02/572479302.db2.gz	TXPLLNGMBXZEBM-SNVBAGLBSA-N	0	0	194.274	3.207	10	0		AGAERN
Cc1ccc(CC[C@H](O)C(C)C)s1	84021201	572479519	/nfs/dbraw/zinc/47/95/19/572479519.db2.gz	QYKWJZWELWYVDF-NSHDSACASA-N	0	0	198.331	3.006	10	0		AGAERN
CCC(C)(C)[C@H](O)Cc1ccccc1	62142462	572479803	/nfs/dbraw/zinc/47/98/03/572479803.db2.gz	AXVJGKAGMVZLMH-GFCCVEGCSA-N	0	0	192.302	3.026	10	0		AGAERN
CCCC(=O)CCc1ccc(C)s1	84020488	572480536	/nfs/dbraw/zinc/48/05/36/572480536.db2.gz	DKAAZSMTHOIZIX-UHFFFAOYSA-N	0	0	196.315	3.358	10	0		AGAERN
CCC[C@H](O)Cc1ccc(C)cc1C	238262822	572480891	/nfs/dbraw/zinc/48/08/91/572480891.db2.gz	INQIHDDIIBDSNY-ZDUSSCGKSA-N	0	0	192.302	3.007	10	0		AGAERN
Cc1ccc(CC[C@@H](O)C(C)C)s1	84021204	572481477	/nfs/dbraw/zinc/48/14/77/572481477.db2.gz	QYKWJZWELWYVDF-LLVKDONJSA-N	0	0	198.331	3.006	10	0		AGAERN
CCC[C@H](O)CC12CCC(CC1)C2	238261783	572481578	/nfs/dbraw/zinc/48/15/78/572481578.db2.gz	UGPXEOVZLBCIEN-CXQJBGSLSA-N	0	0	182.307	3.118	10	0		AGAERN
CCCCc1c[nH]cc1C(=O)CCC	238261709	572481682	/nfs/dbraw/zinc/48/16/82/572481682.db2.gz	FMAPWYUDJNAPQJ-UHFFFAOYSA-N	0	0	193.290	3.340	10	0		AGAERN
CCCCc1ccc(N)c(SC)c1	238263664	572481932	/nfs/dbraw/zinc/48/19/32/572481932.db2.gz	LTAYLECYBRBLNU-UHFFFAOYSA-N	0	0	195.331	3.333	10	0		AGAERN
CCC[C@@H](O)CCc1ccc(C)s1	84021181	572481974	/nfs/dbraw/zinc/48/19/74/572481974.db2.gz	SJNJHBGPVXKUBE-SNVBAGLBSA-N	0	0	198.331	3.150	10	0		AGAERN
Cc1ccc(CCC(=O)C(C)C)s1	84020490	572482457	/nfs/dbraw/zinc/48/24/57/572482457.db2.gz	GEXPLQPXGGBOAQ-UHFFFAOYSA-N	0	0	196.315	3.214	10	0		AGAERN
CCC[C@H](CC(C)=O)C(C)(C)C	238263320	572482470	/nfs/dbraw/zinc/48/24/70/572482470.db2.gz	QYQIMRITEVUAFZ-SNVBAGLBSA-N	0	0	170.296	3.428	10	0		AGAERN
CCC[C@H](O)CCc1ccc(C)s1	84021178	572482675	/nfs/dbraw/zinc/48/26/75/572482675.db2.gz	SJNJHBGPVXKUBE-JTQLQIEISA-N	0	0	198.331	3.150	10	0		AGAERN
CCC[C@@H](O)/C=C/c1ccc(C)cc1	238261502	572482953	/nfs/dbraw/zinc/48/29/53/572482953.db2.gz	VMPKHYUJLRESRT-WTNCMQEWSA-N	0	0	190.286	3.169	10	0		AGAERN
CCCCc1ccc(OCC)cc1O	238264139	572483069	/nfs/dbraw/zinc/48/30/69/572483069.db2.gz	GGCCGKKRKZJWQA-UHFFFAOYSA-N	0	0	194.274	3.134	10	0		AGAERN
CCC[C@H](C(=O)CC)[C@@H](C)CC	238263731	572483570	/nfs/dbraw/zinc/48/35/70/572483570.db2.gz	DAOCUFWDJSEBRI-UWVGGRQHSA-N	0	0	170.296	3.428	10	0		AGAERN
Cc1cc(C)c(C=O)c(C)c1Cl	83228026	572483680	/nfs/dbraw/zinc/48/36/80/572483680.db2.gz	ABJSXKUQVDLAFJ-UHFFFAOYSA-N	0	0	182.650	3.078	10	0		AGAERN
CCCCc1ccc(CC)c(N)c1	238263389	572483689	/nfs/dbraw/zinc/48/36/89/572483689.db2.gz	HVLYWTOOIJPGNB-UHFFFAOYSA-N	0	0	177.291	3.174	10	0		AGAERN
CC[C@@H](C)CCc1ccccc1CO	238263477	572484321	/nfs/dbraw/zinc/48/43/21/572484321.db2.gz	DAQAAQCNXCELMV-LLVKDONJSA-N	0	0	192.302	3.158	10	0		AGAERN
C/C(=C/C(C)C)c1ccccc1N	141324528	572484591	/nfs/dbraw/zinc/48/45/91/572484591.db2.gz	BLPHHNLBVZYIAN-NTMALXAHSA-N	0	0	175.275	3.328	10	0		AGAERN
CCCCc1cccc(C)c1C=O	238265018	572485631	/nfs/dbraw/zinc/48/56/31/572485631.db2.gz	VQBRFLFVPGTAAJ-UHFFFAOYSA-N	0	0	176.259	3.150	10	0		AGAERN
CCC[C@H](O)[C@H](CC)Cc1ccco1	238264515	572485617	/nfs/dbraw/zinc/48/56/17/572485617.db2.gz	LFXWQPHYFHNCKQ-PWSUYJOCSA-N	0	0	196.290	3.009	10	0		AGAERN
CCC[C@H](O)CCC1=CCCCC1	238261919	572485718	/nfs/dbraw/zinc/48/57/18/572485718.db2.gz	QSSKZJXQQXVOBB-LBPRGKRZSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(C)(C)C[C@H](O)c1nccs1	713260255	572485843	/nfs/dbraw/zinc/48/58/43/572485843.db2.gz	YTYQVPQZIGOREZ-QMMMGPOBSA-N	0	0	199.319	3.003	10	0		AGAERN
C/C=C1\CCCC\C1=C/C	114463444	572486464	/nfs/dbraw/zinc/48/64/64/572486464.db2.gz	ISMMDQDLPHTDNN-LQIBPGRFSA-N	0	0	136.238	3.453	10	0		AGAERN
CCC(C)(C)C[C@@H](O)c1nccs1	713260253	572486789	/nfs/dbraw/zinc/48/67/89/572486789.db2.gz	YTYQVPQZIGOREZ-MRVPVSSYSA-N	0	0	199.319	3.003	10	0		AGAERN
[NH3+]Cc1coc2c1ccc1ccccc12	84061434	572486911	/nfs/dbraw/zinc/48/69/11/572486911.db2.gz	RIIKNTRZEGYUSR-UHFFFAOYSA-N	0	0	197.237	3.045	10	0		AGAERN
CCCCc1cccc(Cl)c1C=O	238265082	572486914	/nfs/dbraw/zinc/48/69/14/572486914.db2.gz	LZSCSJKGXGMQOU-UHFFFAOYSA-N	0	0	196.677	3.495	10	0		AGAERN
C[C@@H](Cc1ccccc1)n1cccc1	62190635	572486932	/nfs/dbraw/zinc/48/69/32/572486932.db2.gz	QPFHKTJQIPAZNQ-LBPRGKRZSA-N	0	0	185.270	3.292	10	0		AGAERN
C[C@H](Cc1ccccc1)n1cccc1	62190640	572487002	/nfs/dbraw/zinc/48/70/02/572487002.db2.gz	QPFHKTJQIPAZNQ-GFCCVEGCSA-N	0	0	185.270	3.292	10	0		AGAERN
CCCCc1ccc([C@@H](C)CO)s1	238264217	572487194	/nfs/dbraw/zinc/48/71/94/572487194.db2.gz	OKIBIFKOYPRHLC-VIFPVBQESA-N	0	0	198.331	3.187	10	0		AGAERN
CCC(=O)[C@@H](CC)[C@@H](C)CC	238264692	572487291	/nfs/dbraw/zinc/48/72/91/572487291.db2.gz	WMQCONAVONRCRB-IUCAKERBSA-N	0	0	156.269	3.038	10	0		AGAERN
CCC(=O)[C@H](C)[C@@H](C)[C@@H](C)CC	238264183	572487556	/nfs/dbraw/zinc/48/75/56/572487556.db2.gz	ZPOIGRKWFIJJGL-LPEHRKFASA-N	0	0	170.296	3.284	10	0		AGAERN
CCCCc1ccc([C@H](C)CO)s1	238264657	572488004	/nfs/dbraw/zinc/48/80/04/572488004.db2.gz	OKIBIFKOYPRHLC-SECBINFHSA-N	0	0	198.331	3.187	10	0		AGAERN
Cc1cc(C)n(C[C@@H](C)C(C)(C)C)n1	197486906	572488195	/nfs/dbraw/zinc/48/81/95/572488195.db2.gz	KTFKQHVEHQEGDO-SECBINFHSA-N	0	0	194.322	3.182	10	0		AGAERN
CC(C)c1ccc(N)c(C2CC2)c1	44857536	572488425	/nfs/dbraw/zinc/48/84/25/572488425.db2.gz	XJIAAMOZEDXPKH-UHFFFAOYSA-N	0	0	175.275	3.270	10	0		AGAERN
CCCCc1ccc(/C=C/CO)cc1	238264933	572488603	/nfs/dbraw/zinc/48/86/03/572488603.db2.gz	ONEJZXCFBBENSL-GQCTYLIASA-N	0	0	190.286	3.035	10	0		AGAERN
CC[C@H](C)[C@H](C)[C@@H](C)[C@@H](O)CC	238264238	572488741	/nfs/dbraw/zinc/48/87/41/572488741.db2.gz	OUNRQWCCFNKEOA-MMWGEVLESA-N	0	0	172.312	3.076	10	0		AGAERN
CCC(=O)[C@H](CC)[C@H](C)CC	238266146	572489619	/nfs/dbraw/zinc/48/96/19/572489619.db2.gz	WMQCONAVONRCRB-RKDXNWHRSA-N	0	0	156.269	3.038	10	0		AGAERN
CCC/C=C/C=C(/C=C/CO)CC	238266997	572489805	/nfs/dbraw/zinc/48/98/05/572489805.db2.gz	NIYBATQFUJSLDW-WRGRCINPSA-N	0	0	180.291	3.228	10	0		AGAERN
CC[C@H](/C=C/c1ccccc1)CCO	238267486	572490212	/nfs/dbraw/zinc/49/02/12/572490212.db2.gz	PAAVXCMEMOLWPU-IDVQTMNDSA-N	0	0	190.286	3.108	10	0		AGAERN
CCC[C@H](O)/C=C/c1ccc(C)cc1	238266492	572490476	/nfs/dbraw/zinc/49/04/76/572490476.db2.gz	VMPKHYUJLRESRT-LXKVQUBZSA-N	0	0	190.286	3.169	10	0		AGAERN
CC[C@@H](CCO)CCc1ccccc1	238265793	572490563	/nfs/dbraw/zinc/49/05/63/572490563.db2.gz	UUYWONSLIWILFQ-GFCCVEGCSA-N	0	0	192.302	3.028	10	0		AGAERN
C=C/C=C\CCCc1nccs1	713718065	572490752	/nfs/dbraw/zinc/49/07/52/572490752.db2.gz	KXDOEAAEEXWXPM-ARJAWSKDSA-N	0	0	179.288	3.208	10	0		AGAERN
C/C=C(\c1ccccc1)[C@@H](O)CCC	238266202	572491054	/nfs/dbraw/zinc/49/10/54/572491054.db2.gz	CGHWNDADSMVCGF-VFJIKVCNSA-N	0	0	190.286	3.251	10	0		AGAERN
CC/C=C(/CCC)c1cnc(N)s1	238266394	572491520	/nfs/dbraw/zinc/49/15/20/572491520.db2.gz	DXDIRZQLZPXZJU-YVMONPNESA-N	0	0	196.319	3.319	10	0		AGAERN
CCC[C@H](O)/C=C(/CC)C(C)C	238266303	572491775	/nfs/dbraw/zinc/49/17/75/572491775.db2.gz	SPDZEBFXOMMRTF-IEHMKBBKSA-N	0	0	170.296	3.140	10	0		AGAERN
CC/C=C/C/C=C(/CCC)CCO	238266859	572491881	/nfs/dbraw/zinc/49/18/81/572491881.db2.gz	INLKLHUTAUQABN-FPONQXLSSA-N	0	0	182.307	3.452	10	0		AGAERN
CCC[Si](C)(CCC)CCCO	238265865	572492062	/nfs/dbraw/zinc/49/20/62/572492062.db2.gz	AOKFUGKOFBPRPV-UHFFFAOYSA-N	0	0	188.387	3.267	10	0		AGAERN
Cc1ccccc1C/C=C\Cl	307773217	572492095	/nfs/dbraw/zinc/49/20/95/572492095.db2.gz	KQPDUPNLLSFIRN-YWEYNIOJSA-N	0	0	166.651	3.290	10	0		AGAERN
C=C/C=C/CCCc1nccs1	713718067	572492208	/nfs/dbraw/zinc/49/22/08/572492208.db2.gz	KXDOEAAEEXWXPM-ONEGZZNKSA-N	0	0	179.288	3.208	10	0		AGAERN
CCCC1CCC(=O)CC1	238266383	572492360	/nfs/dbraw/zinc/49/23/60/572492360.db2.gz	PAQUBVYYBHJUPJ-QMMMGPOBSA-N	0	0	140.226	3.029	10	0		AGAERN
CC(C)=CCSC/C=C\Cl	307774502	572492404	/nfs/dbraw/zinc/49/24/04/572492404.db2.gz	FTXONGGZNMJQDA-HYXAFXHYSA-N	0	0	176.712	3.438	10	0		AGAERN
CCC[C@H](O)/C=C(/C)c1ccccc1	238266290	572492464	/nfs/dbraw/zinc/49/24/64/572492464.db2.gz	IWIFSHKQJXVUPV-OEYXZAGESA-N	0	0	190.286	3.251	10	0		AGAERN
CCC[C@@H](C(=O)CC)[C@@H](C)CC	238268954	572493544	/nfs/dbraw/zinc/49/35/44/572493544.db2.gz	DAOCUFWDJSEBRI-VHSXEESVSA-N	0	0	170.296	3.428	10	0		AGAERN
CCC(C)(C)C[C@](C)(N)C(F)(F)F	713263509	572494150	/nfs/dbraw/zinc/49/41/50/572494150.db2.gz	KNWVVMINOZWTJE-QMMMGPOBSA-N	0	0	197.244	3.092	10	0		AGAERN
CCC(=O)C[C@H](C)C[C@H](C)CC	238268283	572494735	/nfs/dbraw/zinc/49/47/35/572494735.db2.gz	ZHJDVYLXVZIWSF-NXEZZACHSA-N	0	0	170.296	3.428	10	0		AGAERN
CCC(C)(C)C[C@@](C)(N)C(F)(F)F	713263496	572495324	/nfs/dbraw/zinc/49/53/24/572495324.db2.gz	KNWVVMINOZWTJE-MRVPVSSYSA-N	0	0	197.244	3.092	10	0		AGAERN
CCCc1c[nH]c(C(C)=O)c1CCC	238272491	572496303	/nfs/dbraw/zinc/49/63/03/572496303.db2.gz	PRIGMIAVMWZHGX-UHFFFAOYSA-N	0	0	193.290	3.122	10	0		AGAERN
CC[Si](C)(C)CCCC(C)=O	238272503	572496347	/nfs/dbraw/zinc/49/63/47/572496347.db2.gz	MSPPOKIRJUTQLE-UHFFFAOYSA-N	0	0	172.344	3.084	10	0		AGAERN
CC(C)C(=O)[C@H]1CCC[C@@H](C)C1	44979451	572496676	/nfs/dbraw/zinc/49/66/76/572496676.db2.gz	YVJMECWXPBTNKB-ZJUUUORDSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@@H]1CCC[C@@H]([C@H](O)C2CCCC2)C1	44980067	572496849	/nfs/dbraw/zinc/49/68/49/572496849.db2.gz	RRFQBSZNVXUXAN-RAIGVLPGSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)CC(=O)[C@H]1CCC[C@@H](C)C1	44979512	572496894	/nfs/dbraw/zinc/49/68/94/572496894.db2.gz	GECJQHHHRLYZTF-MNOVXSKESA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(=O)C[C@@H](C)C[C@H](C)CC	238270326	572497181	/nfs/dbraw/zinc/49/71/81/572497181.db2.gz	ZHJDVYLXVZIWSF-ZJUUUORDSA-N	0	0	170.296	3.428	10	0		AGAERN
CCCCCOCc1ccc(O)cc1	117256096	572497620	/nfs/dbraw/zinc/49/76/20/572497620.db2.gz	XQDNYUWFVFJDQJ-UHFFFAOYSA-N	0	0	194.274	3.099	10	0		AGAERN
CC(C)C(=O)[C@H]1CCC[C@H](C)C1	44979454	572498028	/nfs/dbraw/zinc/49/80/28/572498028.db2.gz	YVJMECWXPBTNKB-UWVGGRQHSA-N	0	0	168.280	3.038	10	0		AGAERN
Clc1ccc([C@H]2CC=CO2)cc1	79979306	572498158	/nfs/dbraw/zinc/49/81/58/572498158.db2.gz	RZFHASVEUYMXHB-SNVBAGLBSA-N	0	0	180.634	3.315	10	0		AGAERN
CC(C)C[C@@H](O)C1CCC(C)CC1	44983466	572498325	/nfs/dbraw/zinc/49/83/25/572498325.db2.gz	AHPZCRWMBWLHAE-HTAVTVPLSA-N	0	0	184.323	3.220	10	0		AGAERN
CCCC(=O)[C@H]1CCC[C@H](C)C1	44979478	572499263	/nfs/dbraw/zinc/49/92/63/572499263.db2.gz	WEYASWLAIBYPEQ-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCC(=O)[C@@H]1CCC[C@H](C)C1	44979475	572499003	/nfs/dbraw/zinc/49/90/03/572499003.db2.gz	WEYASWLAIBYPEQ-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
CC1CCC([C@H](O)C2CCCC2)CC1	44983462	572499457	/nfs/dbraw/zinc/49/94/57/572499457.db2.gz	NXGHIFLTXHZTGS-KGPNIALWSA-N	0	0	196.334	3.364	10	0		AGAERN
CCCC(=O)C1CCC(C)CC1	44983339	572499677	/nfs/dbraw/zinc/49/96/77/572499677.db2.gz	HJDXUZACLKWDHZ-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)[C@H]1CCNc2cc(F)ccc21	74247838	572500003	/nfs/dbraw/zinc/50/00/03/572500003.db2.gz	QIVFXVCJEIKANB-SNVBAGLBSA-N	0	0	193.265	3.381	10	0		AGAERN
CC(C)CC(=O)[C@H]1CCC[C@H](C)C1	44979514	572500172	/nfs/dbraw/zinc/50/01/72/572500172.db2.gz	GECJQHHHRLYZTF-QWRGUYRKSA-N	0	0	182.307	3.428	10	0		AGAERN
CCCC(=O)[C@H]1CCC[C@@H](C)C1	44979484	572500333	/nfs/dbraw/zinc/50/03/33/572500333.db2.gz	WEYASWLAIBYPEQ-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@H](C)[C@H](O)/C=C/c1ccccc1	238272881	572500420	/nfs/dbraw/zinc/50/04/20/572500420.db2.gz	ZUKLVIIJJBDGIE-IMYBMRPDSA-N	0	0	190.286	3.107	10	0		AGAERN
CCCC(=O)[C@@H]1CCC[C@@H](C)C1	44979481	572500516	/nfs/dbraw/zinc/50/05/16/572500516.db2.gz	WEYASWLAIBYPEQ-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)C(=O)[C@@H]1CCC[C@@H](C)C1	44979457	572500712	/nfs/dbraw/zinc/50/07/12/572500712.db2.gz	YVJMECWXPBTNKB-NXEZZACHSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)C(=O)[C@@H]1CCC[C@H](C)C1	44979460	572500731	/nfs/dbraw/zinc/50/07/31/572500731.db2.gz	YVJMECWXPBTNKB-VHSXEESVSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)CC(=O)[C@@H]1CCC[C@H](C)C1	44979520	572500798	/nfs/dbraw/zinc/50/07/98/572500798.db2.gz	GECJQHHHRLYZTF-WDEREUQCSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)[C@@H]1CCNc2cc(F)ccc21	74247837	572500856	/nfs/dbraw/zinc/50/08/56/572500856.db2.gz	QIVFXVCJEIKANB-JTQLQIEISA-N	0	0	193.265	3.381	10	0		AGAERN
CCC[C@H](CC(C)C)c1cc(N)no1	308042074	572500867	/nfs/dbraw/zinc/50/08/67/572500867.db2.gz	BGCNECNBYIFLPR-SECBINFHSA-N	0	0	196.294	3.187	10	0		AGAERN
CC(C)CC(=O)[C@@H]1CCC[C@@H](C)C1	44979517	572501007	/nfs/dbraw/zinc/50/10/07/572501007.db2.gz	GECJQHHHRLYZTF-GHMZBOCLSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H](CO)CC[C@H]1CC=CC1(C)C	238272303	572503004	/nfs/dbraw/zinc/50/30/04/572503004.db2.gz	HZGWOCHFJKSCIZ-VXGBXAGGSA-N	0	0	196.334	3.387	10	0		AGAERN
CC(C)c1ccc2c(c1)NCCCO2	62521285	572503007	/nfs/dbraw/zinc/50/30/07/572503007.db2.gz	DNJRGEAMQIKYQI-UHFFFAOYSA-N	0	0	191.274	3.004	10	0		AGAERN
C[C@@H]1CCC[C@H]([C@H](O)C2CCCC2)C1	44980061	572501577	/nfs/dbraw/zinc/50/15/77/572501577.db2.gz	RRFQBSZNVXUXAN-KGYLQXTDSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@H](CO)CC[C@@H]1CC=CC1(C)C	238272288	572501902	/nfs/dbraw/zinc/50/19/02/572501902.db2.gz	HZGWOCHFJKSCIZ-NEPJUHHUSA-N	0	0	196.334	3.387	10	0		AGAERN
CCC[C@@H](CC(C)C)c1cc(N)no1	308042075	572502076	/nfs/dbraw/zinc/50/20/76/572502076.db2.gz	BGCNECNBYIFLPR-VIFPVBQESA-N	0	0	196.294	3.187	10	0		AGAERN
CC[C@@H](CO)CCC1CCCCC1	238272176	572502133	/nfs/dbraw/zinc/50/21/33/572502133.db2.gz	MUHJOXBIDQAKMP-LLVKDONJSA-N	0	0	184.323	3.365	10	0		AGAERN
CC[C@@H](CO)CCC[Si](C)(C)C	238272257	572502774	/nfs/dbraw/zinc/50/27/74/572502774.db2.gz	XSBOCJCTYSVWOQ-SNVBAGLBSA-N	0	0	188.387	3.123	10	0		AGAERN
CC(C)C[C@@H](C)CC[C@H](O)C1CC1	300905634	572502880	/nfs/dbraw/zinc/50/28/80/572502880.db2.gz	LIJQOBSBYIJXTE-JQWIXIFHSA-N	0	0	184.323	3.220	10	0		AGAERN
C/C(=C/Cl)CSCC1CC1	307776922	572502929	/nfs/dbraw/zinc/50/29/29/572502929.db2.gz	IFJGKDRUMNPKIF-DAXSKMNVSA-N	0	0	176.712	3.272	10	0		AGAERN
CC[C@@H](CO)C/C=C/c1ccccc1	238271912	572503205	/nfs/dbraw/zinc/50/32/05/572503205.db2.gz	YMEWRQUNWSHYGQ-GCZGVDRJSA-N	0	0	190.286	3.108	10	0		AGAERN
c1ccn(NCCC2CCCCC2)c1	87473471	572505128	/nfs/dbraw/zinc/50/51/28/572505128.db2.gz	BNXZIOBWDVBMMJ-UHFFFAOYSA-N	0	0	192.306	3.002	10	0		AGAERN
CCCc1cc(C=O)c(SCC)o1	238275548	572505778	/nfs/dbraw/zinc/50/57/78/572505778.db2.gz	VNVPVOMNRDFKOQ-UHFFFAOYSA-N	0	0	198.287	3.157	10	0		AGAERN
Cc1cccc(O/C=C\Cl)c1	307781548	572506430	/nfs/dbraw/zinc/50/64/30/572506430.db2.gz	WBSFPZUTAXZDPO-WAYWQWQTSA-N	0	0	168.623	3.084	10	0		AGAERN
CC(C)C(C)(C)C[C@]1(CO)CC1(C)C	713268684	572506073	/nfs/dbraw/zinc/50/60/73/572506073.db2.gz	UOSHSKGIGPGTRQ-CYBMUJFWSA-N	0	0	198.350	3.467	10	0		AGAERN
CC(C)C(C)(C)C[C@@]1(CO)CC1(C)C	713268685	572506085	/nfs/dbraw/zinc/50/60/85/572506085.db2.gz	UOSHSKGIGPGTRQ-ZDUSSCGKSA-N	0	0	198.350	3.467	10	0		AGAERN
CC[C@@](C)(C(=O)C(C)C)C(C)C	238275290	572506175	/nfs/dbraw/zinc/50/61/75/572506175.db2.gz	CKAOFOVEPQXYNX-LLVKDONJSA-N	0	0	170.296	3.284	10	0		AGAERN
CCC[C@@H]1C[C@H](C)[C@@H](O)[C@@H]1CCC	238275426	572507587	/nfs/dbraw/zinc/50/75/87/572507587.db2.gz	JQHBIRMFXICMRW-IRCOFANPSA-N	0	0	184.323	3.220	10	0		AGAERN
CCCSc1cccc(N)c1C	62725582	572508922	/nfs/dbraw/zinc/50/89/22/572508922.db2.gz	UESSBIYJSKBPSQ-UHFFFAOYSA-N	0	0	181.304	3.079	10	0		AGAERN
CC[C@@H](C)Sc1cccc(N)c1C	62725578	572510391	/nfs/dbraw/zinc/51/03/91/572510391.db2.gz	CNPCPUCPQKPIJS-MRVPVSSYSA-N	0	0	195.331	3.468	10	0		AGAERN
CC/C(=C/C=C/CO)c1ccccc1	238278101	572509017	/nfs/dbraw/zinc/50/90/17/572509017.db2.gz	VTDUQIDZLAQFDA-KWUPLBGHSA-N	0	0	188.270	3.029	10	0		AGAERN
CC/C(=C(/C)CCO)c1ccccc1	238277162	572509138	/nfs/dbraw/zinc/50/91/38/572509138.db2.gz	BMHAWSNBYKNDQG-ACCUITESSA-N	0	0	190.286	3.253	10	0		AGAERN
CCCN(CCC)c1ccccc1O	117269526	572512830	/nfs/dbraw/zinc/51/28/30/572512830.db2.gz	SVFWTJMLZPCSMK-UHFFFAOYSA-N	0	0	193.290	3.019	10	0		AGAERN
CC/C(=C/CCCO)c1ccccc1	238278379	572509559	/nfs/dbraw/zinc/50/95/59/572509559.db2.gz	WTWCOXFAAVQFIO-WQLSENKSSA-N	0	0	190.286	3.253	10	0		AGAERN
CC/C(=C/CC[Si](C)(C)C)CO	238280109	572509642	/nfs/dbraw/zinc/50/96/42/572509642.db2.gz	YBODCSPIARVYRD-YFHOEESVSA-N	0	0	186.371	3.043	10	0		AGAERN
CCCC(=O)C(C)(C)c1ccccc1	62772894	572509745	/nfs/dbraw/zinc/50/97/45/572509745.db2.gz	MMTJPOSKOXKUEN-UHFFFAOYSA-N	0	0	190.286	3.333	10	0		AGAERN
Cc1[nH]c(C(=O)CC(C)C)c(C)c1C	69233592	572509842	/nfs/dbraw/zinc/50/98/42/572509842.db2.gz	ZEKPMWHUELENLE-UHFFFAOYSA-N	0	0	193.290	3.169	10	0		AGAERN
Cc1cn(CCC(C)C)c(C)c1C	69233714	572509991	/nfs/dbraw/zinc/50/99/91/572509991.db2.gz	JVHUSPWSCZOUNK-UHFFFAOYSA-N	0	0	179.307	3.459	10	0		AGAERN
Cc1cn(CC(C)C)c(C)c1C	69233842	572509996	/nfs/dbraw/zinc/50/99/96/572509996.db2.gz	DYJAZXVEHZEZSG-UHFFFAOYSA-N	0	0	165.280	3.069	10	0		AGAERN
C=C=C1Cc2ccc(C)cc2N[C@H]1CC	238278095	572510036	/nfs/dbraw/zinc/51/00/36/572510036.db2.gz	PPPZWPOECZRZSL-ZDUSSCGKSA-N	0	0	199.297	3.453	10	0		AGAERN
CC/C(=C/C[C@@H]1CC=CC1(C)C)CO	238280179	572510314	/nfs/dbraw/zinc/51/03/14/572510314.db2.gz	ZJMRBUKSPXTJGB-RDQDRAATSA-N	0	0	194.318	3.308	10	0		AGAERN
Cc1[nH]c([C@H](O)C(C)(C)C)c(C)c1C	69233990	572510407	/nfs/dbraw/zinc/51/04/07/572510407.db2.gz	UANNWOWCCDAXBZ-NSHDSACASA-N	0	0	195.306	3.019	10	0		AGAERN
CCC(CC)Nc1cccc(N)c1C	62724068	572510443	/nfs/dbraw/zinc/51/04/43/572510443.db2.gz	QDLIEAJANYPNFN-UHFFFAOYSA-N	0	0	192.306	3.178	10	0		AGAERN
Cc1[nH]c([C@@H](O)C(C)(C)C)c(C)c1C	69233991	572510449	/nfs/dbraw/zinc/51/04/49/572510449.db2.gz	UANNWOWCCDAXBZ-LLVKDONJSA-N	0	0	195.306	3.019	10	0		AGAERN
CC(C)[C@@H](O)c1cc2ccccc2o1	62797376	572512982	/nfs/dbraw/zinc/51/29/82/572512982.db2.gz	YLADYGVYZSMZTE-GFCCVEGCSA-N	0	0	190.242	3.122	10	0		AGAERN
Cc1c(N)cccc1NCC(C)(C)C	62724840	572510710	/nfs/dbraw/zinc/51/07/10/572510710.db2.gz	BKCSPOLBOMEOER-UHFFFAOYSA-N	0	0	192.306	3.035	10	0		AGAERN
CC[C@H](C)Sc1cccc(N)c1C	62725579	572510866	/nfs/dbraw/zinc/51/08/66/572510866.db2.gz	CNPCPUCPQKPIJS-QMMMGPOBSA-N	0	0	195.331	3.468	10	0		AGAERN
CC[C@H](F)CCc1ccc(C=O)cc1	238278492	572511126	/nfs/dbraw/zinc/51/11/26/572511126.db2.gz	IGXDNJDARWAMCU-LBPRGKRZSA-N	0	0	194.249	3.180	10	0		AGAERN
CC[C@H](C)c1c[nH]c(SC(C)C)n1	238278157	572511233	/nfs/dbraw/zinc/51/12/33/572511233.db2.gz	YYURYWAUILYCDS-QMMMGPOBSA-N	0	0	198.335	3.424	10	0		AGAERN
CCC(C)(C)Nc1cccc(N)c1C	62724313	572511241	/nfs/dbraw/zinc/51/12/41/572511241.db2.gz	VQDLUOFKOLUJIQ-UHFFFAOYSA-N	0	0	192.306	3.178	10	0		AGAERN
CC/C(=C/Sc1ccccc1)CO	238280236	572513152	/nfs/dbraw/zinc/51/31/52/572513152.db2.gz	LYZDHMFUBZEZSD-KTKRTIGZSA-N	0	0	194.299	3.065	10	0		AGAERN
CC/C(=C/C[C@H]1CC=CC1(C)C)CO	238280194	572513451	/nfs/dbraw/zinc/51/34/51/572513451.db2.gz	ZJMRBUKSPXTJGB-SEVUFMINSA-N	0	0	194.318	3.308	10	0		AGAERN
CC(C)[C@H](O)c1cc2ccccc2o1	62797375	572513839	/nfs/dbraw/zinc/51/38/39/572513839.db2.gz	YLADYGVYZSMZTE-LBPRGKRZSA-N	0	0	190.242	3.122	10	0		AGAERN
CCC[C@@H](CC(C)C)c1n[nH]c(C)n1	308051453	572514318	/nfs/dbraw/zinc/51/43/18/572514318.db2.gz	DEWDIJHFHYIGIZ-JTQLQIEISA-N	0	0	195.310	3.043	10	0		AGAERN
CC/C(=C/CC=C(C)C)CCO	238279883	572514562	/nfs/dbraw/zinc/51/45/62/572514562.db2.gz	FDYUECDOYVWNTN-XFFZJAGNSA-N	0	0	168.280	3.062	10	0		AGAERN
CCCC(=O)CSC1CCCC1	62830068	572515127	/nfs/dbraw/zinc/51/51/27/572515127.db2.gz	DVJYPULNGPTQFK-UHFFFAOYSA-N	0	0	186.320	3.031	10	0		AGAERN
CCC[C@H](CC(C)C)c1n[nH]c(C)n1	308051454	572515377	/nfs/dbraw/zinc/51/53/77/572515377.db2.gz	DEWDIJHFHYIGIZ-SNVBAGLBSA-N	0	0	195.310	3.043	10	0		AGAERN
CC[C@H](CC(C)C)C(=O)C1CCC1	308051877	572515411	/nfs/dbraw/zinc/51/54/11/572515411.db2.gz	FIFDHOMBKUQADS-SNVBAGLBSA-N	0	0	182.307	3.428	10	0		AGAERN
CS[C@@H]1CCCC[C@H]1n1cccc1	235105801	572515667	/nfs/dbraw/zinc/51/56/67/572515667.db2.gz	UISBSGOOWJOHLC-GHMZBOCLSA-N	0	0	195.331	3.335	10	0		AGAERN
CC/C(=C/C=C(C)C)CCCO	238279860	572515740	/nfs/dbraw/zinc/51/57/40/572515740.db2.gz	KKBKWTMXMWRQMN-FLIBITNWSA-N	0	0	168.280	3.062	10	0		AGAERN
CC[C@](C)(CO)CCc1ccccc1	238279351	572515883	/nfs/dbraw/zinc/51/58/83/572515883.db2.gz	SPOSKFBKJXZQGH-ZDUSSCGKSA-N	0	0	192.302	3.028	10	0		AGAERN
CC=C(C)Nc1ccc(OC)cc1	308046765	572516084	/nfs/dbraw/zinc/51/60/84/572516084.db2.gz	GVJYWICNHKZBEH-WTKPLQERSA-N	0	0	177.247	3.031	10	0		AGAERN
CCSCCCc1ccccc1O	238282659	572516413	/nfs/dbraw/zinc/51/64/13/572516413.db2.gz	NWDNSKZGMLULPM-UHFFFAOYSA-N	0	0	196.315	3.078	10	0		AGAERN
CC[C@@H](CC(C)C)C(=O)C1CCC1	308051874	572516441	/nfs/dbraw/zinc/51/64/41/572516441.db2.gz	FIFDHOMBKUQADS-JTQLQIEISA-N	0	0	182.307	3.428	10	0		AGAERN
CCCC(=O)CC1(C)CCCC1	308051646	572516780	/nfs/dbraw/zinc/51/67/80/572516780.db2.gz	SGLBCCBPUSDETJ-UHFFFAOYSA-N	0	0	168.280	3.326	10	0		AGAERN
C=Cc1ccccc1/C=C/[C@H](O)CC	238283070	572516800	/nfs/dbraw/zinc/51/68/00/572516800.db2.gz	URFZEHQIRRBPKN-WTNCMQEWSA-N	0	0	188.270	3.114	10	0		AGAERN
CC[C@H](/C=C/CCO)[Si](C)(C)C	238282500	572516938	/nfs/dbraw/zinc/51/69/38/572516938.db2.gz	VGBVUSLEYIHWQD-QEHWCHDUSA-N	0	0	186.371	3.043	10	0		AGAERN
CC1CCC(c2ccoc2C=O)CC1	74269300	572517046	/nfs/dbraw/zinc/51/70/46/572517046.db2.gz	CUGGXRKZUZINCD-UHFFFAOYSA-N	0	0	192.258	3.386	10	0		AGAERN
CC[C@H](C)c1nc[nH]c1[C@H](C)CC	238283049	572517278	/nfs/dbraw/zinc/51/72/78/572517278.db2.gz	PNTRTBITKJFYEF-DTORHVGOSA-N	0	0	180.295	3.437	10	0		AGAERN
CC[C@H](/C=C/c1ccccc1)[C@@H](C)O	238282569	572517304	/nfs/dbraw/zinc/51/73/04/572517304.db2.gz	BDICSAUYCZRWSK-SEDDIGHHSA-N	0	0	190.286	3.107	10	0		AGAERN
CC[C@H](/C=C/c1ccccc1)[C@H](C)O	238282582	572517455	/nfs/dbraw/zinc/51/74/55/572517455.db2.gz	BDICSAUYCZRWSK-IMYBMRPDSA-N	0	0	190.286	3.107	10	0		AGAERN
CC[C@H](C)c1nc[nH]c1[C@@H](C)CC	238283035	572517601	/nfs/dbraw/zinc/51/76/01/572517601.db2.gz	PNTRTBITKJFYEF-IUCAKERBSA-N	0	0	180.295	3.437	10	0		AGAERN
CCCCC[C@]1(O)CCC1(C)C	308050085	572517818	/nfs/dbraw/zinc/51/78/18/572517818.db2.gz	ROCPLLSDQSJCPP-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
CCCc1ccc(C=O)cc1CC	238279987	572518310	/nfs/dbraw/zinc/51/83/10/572518310.db2.gz	VIEPHZKYDWQLDO-UHFFFAOYSA-N	0	0	176.259	3.014	10	0		AGAERN
Cc1oc(C=O)cc1C1CCCCC1	74269307	572518984	/nfs/dbraw/zinc/51/89/84/572518984.db2.gz	DWCBHQSHPVUAJU-UHFFFAOYSA-N	0	0	192.258	3.448	10	0		AGAERN
CC/C=C(/C=C/CO)c1ccccc1	238280965	572519042	/nfs/dbraw/zinc/51/90/42/572519042.db2.gz	YOPBKJPFCGLRIC-NGSBCVAZSA-N	0	0	188.270	3.029	10	0		AGAERN
CC(C)c1cc2cc(N)c(F)cc2[nH]1	74269547	572519127	/nfs/dbraw/zinc/51/91/27/572519127.db2.gz	WPZBQGCKWCUHOC-UHFFFAOYSA-N	0	0	192.237	3.013	10	0		AGAERN
Cc1cc(C=O)c(C2CCCCC2)o1	74269301	572519631	/nfs/dbraw/zinc/51/96/31/572519631.db2.gz	WGDCVQJVTUTNRL-UHFFFAOYSA-N	0	0	192.258	3.448	10	0		AGAERN
CC1CCC(c2occc2C=O)CC1	74269306	572519827	/nfs/dbraw/zinc/51/98/27/572519827.db2.gz	DINNRUOPQOYCPP-UHFFFAOYSA-N	0	0	192.258	3.386	10	0		AGAERN
CCCCC[C@@]1(O)CCC1(C)C	308050084	572520457	/nfs/dbraw/zinc/52/04/57/572520457.db2.gz	ROCPLLSDQSJCPP-LLVKDONJSA-N	0	0	170.296	3.118	10	0		AGAERN
CC[C@H](C)O[P@](=O)(CC)CC=O	238287698	572520494	/nfs/dbraw/zinc/52/04/94/572520494.db2.gz	JNEMNDRMAFOWPW-MIQWXCGESA-N	0	0	192.195	3.129	10	0		AGAERN
c1ccc2cc3scnc3cc2c1	45238230	572520641	/nfs/dbraw/zinc/52/06/41/572520641.db2.gz	HJLDPBXWNCCXGM-UHFFFAOYSA-N	0	0	185.251	3.450	10	0		AGAERN
c1nc2cc3cocc3cc2s1	45238233	572520672	/nfs/dbraw/zinc/52/06/72/572520672.db2.gz	WQDKIURWHOZZFT-UHFFFAOYSA-N	0	0	175.212	3.043	10	0		AGAERN
CCSC[C@H](C)c1ccc(O)cc1	238285229	572521191	/nfs/dbraw/zinc/52/11/91/572521191.db2.gz	RZJMJJPSWYEWDQ-VIFPVBQESA-N	0	0	196.315	3.249	10	0		AGAERN
c1cc2c(ccc3scnc32)o1	45237565	572521985	/nfs/dbraw/zinc/52/19/85/572521985.db2.gz	XSJRSYIHGHLNMW-UHFFFAOYSA-N	0	0	175.212	3.043	10	0		AGAERN
Cc1nc2ccc3occc3c2s1	45237512	572522044	/nfs/dbraw/zinc/52/20/44/572522044.db2.gz	XYUQURFNDXZFPB-UHFFFAOYSA-N	0	0	189.239	3.351	10	0		AGAERN
Cc1ccccc1-c1sccc1N	74275499	572522161	/nfs/dbraw/zinc/52/21/61/572522161.db2.gz	BICBBASNZGZHCX-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
c1nc2c(ccc3cocc32)s1	45236414	572522852	/nfs/dbraw/zinc/52/28/52/572522852.db2.gz	ZTHITQPUTWTGRC-UHFFFAOYSA-N	0	0	175.212	3.043	10	0		AGAERN
c1cc2cc3ncsc3cc2o1	45236200	572522977	/nfs/dbraw/zinc/52/29/77/572522977.db2.gz	JQXJLCLLFPPUTQ-UHFFFAOYSA-N	0	0	175.212	3.043	10	0		AGAERN
C=C=C[C@@H](CC)[C@@H](O)c1ccccc1	197641017	572523396	/nfs/dbraw/zinc/52/33/96/572523396.db2.gz	YKLABZLHHGTADH-DGCLKSJQSA-N	0	0	188.270	3.087	10	0		AGAERN
CCCCOc1cc(C)c(N)cc1C	62997650	572525328	/nfs/dbraw/zinc/52/53/28/572525328.db2.gz	WEXUFBNUQHGDEX-UHFFFAOYSA-N	0	0	193.290	3.065	10	0		AGAERN
CC[C@H](C)O[C@@H](C)c1ccccc1O	238287007	572525828	/nfs/dbraw/zinc/52/58/28/572525828.db2.gz	XRWDUQIWBKZCQM-UWVGGRQHSA-N	0	0	194.274	3.268	10	0		AGAERN
Fc1ccccc1NCc1ccoc1	63046638	572527564	/nfs/dbraw/zinc/52/75/64/572527564.db2.gz	GVUVNAIESSYCOR-UHFFFAOYSA-N	0	0	191.205	3.031	10	0		AGAERN
Fc1ccc(NCc2ccoc2)cc1	63046634	572527696	/nfs/dbraw/zinc/52/76/96/572527696.db2.gz	GKSVDPVLTASTOY-UHFFFAOYSA-N	0	0	191.205	3.031	10	0		AGAERN
CCC(=O)[C@H](C)[C@H](C)[C@@H](C)CC	238292755	572530822	/nfs/dbraw/zinc/53/08/22/572530822.db2.gz	ZPOIGRKWFIJJGL-IVZWLZJFSA-N	0	0	170.296	3.284	10	0		AGAERN
CCc1ccc([C@H](C)CCCO)cc1	238292496	572530862	/nfs/dbraw/zinc/53/08/62/572530862.db2.gz	UNBJIUZNPYGEIR-LLVKDONJSA-N	0	0	192.302	3.125	10	0		AGAERN
CC[C@@](C)(CO)CCc1ccccc1	238290101	572531550	/nfs/dbraw/zinc/53/15/50/572531550.db2.gz	SPOSKFBKJXZQGH-CYBMUJFWSA-N	0	0	192.302	3.028	10	0		AGAERN
CCc1ccc([C@@H](C)CCCO)cc1	238290502	572531691	/nfs/dbraw/zinc/53/16/91/572531691.db2.gz	UNBJIUZNPYGEIR-NSHDSACASA-N	0	0	192.302	3.125	10	0		AGAERN
CCOc1cccc(OC2CCC2)c1	238293219	572531911	/nfs/dbraw/zinc/53/19/11/572531911.db2.gz	HJEHONDYZDSXSH-UHFFFAOYSA-N	0	0	192.258	3.017	10	0		AGAERN
CCC(=O)C[C@@H](CC)C(C)C	238293366	572532523	/nfs/dbraw/zinc/53/25/23/572532523.db2.gz	QIFUERVMYDNLJW-SECBINFHSA-N	0	0	156.269	3.038	10	0		AGAERN
CCC(=O)[C@H](CC)[C@@H](C)CC	238293238	572533462	/nfs/dbraw/zinc/53/34/62/572533462.db2.gz	WMQCONAVONRCRB-DTWKUNHWSA-N	0	0	156.269	3.038	10	0		AGAERN
CCc1ccc(/C=C(/C)CCO)cc1	238294151	572534432	/nfs/dbraw/zinc/53/44/32/572534432.db2.gz	LLAFQHNXMGALAC-KHPPLWFESA-N	0	0	190.286	3.035	10	0		AGAERN
CCOCc1ccccc1OC(C)C	238296362	572534441	/nfs/dbraw/zinc/53/44/41/572534441.db2.gz	IWSPRSZGYFZBIU-UHFFFAOYSA-N	0	0	194.274	3.010	10	0		AGAERN
CCCc1cc2cc(C)c(N)cc2[nH]1	74276887	572535125	/nfs/dbraw/zinc/53/51/25/572535125.db2.gz	KALBYCLYWTUAKO-UHFFFAOYSA-N	0	0	188.274	3.011	10	0		AGAERN
C1CC[C@]2(CCCSC2)SC1	74276692	572535435	/nfs/dbraw/zinc/53/54/35/572535435.db2.gz	IOVYYJFGGHAULJ-SECBINFHSA-N	0	0	188.361	3.169	10	0		AGAERN
C[C@@H](C(=O)c1cc[nH]c1)c1ccccc1	235136767	572536549	/nfs/dbraw/zinc/53/65/49/572536549.db2.gz	SNETYQFGUWUBCX-SNVBAGLBSA-N	0	0	199.253	3.001	10	0		AGAERN
CCC(=O)[C@H](CC)CC(C)C	238293969	572536924	/nfs/dbraw/zinc/53/69/24/572536924.db2.gz	FNALDVATUKUMLP-SECBINFHSA-N	0	0	156.269	3.038	10	0		AGAERN
CCSc1cc(CC)ccc1OC	238296041	572537167	/nfs/dbraw/zinc/53/71/67/572537167.db2.gz	VJLUZKWDUZNIMY-UHFFFAOYSA-N	0	0	196.315	3.370	10	0		AGAERN
C1CC[C@@]2(CCCSC2)SC1	74276690	572537171	/nfs/dbraw/zinc/53/71/71/572537171.db2.gz	IOVYYJFGGHAULJ-VIFPVBQESA-N	0	0	188.361	3.169	10	0		AGAERN
C1CSCC2(C1)CCCSC2	74276696	572537174	/nfs/dbraw/zinc/53/71/74/572537174.db2.gz	BXSDLVFMOPXZNL-UHFFFAOYSA-N	0	0	188.361	3.027	10	0		AGAERN
CC(C)(C)c1cc2c(N)cccc2[nH]1	74276892	572537617	/nfs/dbraw/zinc/53/76/17/572537617.db2.gz	ZPEPKDZMHJBFAV-UHFFFAOYSA-N	0	0	188.274	3.048	10	0		AGAERN
Cc1ccc(N)cc1NCCC(C)C	53734575	572537702	/nfs/dbraw/zinc/53/77/02/572537702.db2.gz	AEEASYYQYNDNBT-UHFFFAOYSA-N	0	0	192.306	3.035	10	0		AGAERN
C1CSCC2(C1)CCSCC2	74276698	572537805	/nfs/dbraw/zinc/53/78/05/572537805.db2.gz	NELHDVUFZGOCDQ-UHFFFAOYSA-N	0	0	188.361	3.027	10	0		AGAERN
C1CCC2(CCSCC2)SC1	74276694	572537942	/nfs/dbraw/zinc/53/79/42/572537942.db2.gz	FDZWAJFHKDSITD-UHFFFAOYSA-N	0	0	188.361	3.169	10	0		AGAERN
CCSc1cc(CC)cc(OC)c1	238295797	572538042	/nfs/dbraw/zinc/53/80/42/572538042.db2.gz	TZAXHPDTMGODRZ-UHFFFAOYSA-N	0	0	196.315	3.370	10	0		AGAERN
Cc1ccccc1Cc1ccccc1O	117282975	572538500	/nfs/dbraw/zinc/53/85/00/572538500.db2.gz	OGHABXJFTCRNDU-UHFFFAOYSA-N	0	0	198.265	3.291	10	0		AGAERN
O[C@@H]1CCCCC[C@@H]1c1cccs1	53751695	572539233	/nfs/dbraw/zinc/53/92/33/572539233.db2.gz	MOIYDJDUUKUSSR-VHSXEESVSA-N	0	0	196.315	3.157	10	0		AGAERN
CCC(=O)c1ccc2occ(C)c2c1	74278006	572538939	/nfs/dbraw/zinc/53/89/39/572538939.db2.gz	HPVJKTPMZFVBOZ-UHFFFAOYSA-N	0	0	188.226	3.334	10	0		AGAERN
O[C@H]1CCCCC[C@@H]1c1cccs1	53751691	572539547	/nfs/dbraw/zinc/53/95/47/572539547.db2.gz	MOIYDJDUUKUSSR-UWVGGRQHSA-N	0	0	196.315	3.157	10	0		AGAERN
CC[C@H](CC(C)C)C(=O)C1CC1	308056247	572539994	/nfs/dbraw/zinc/53/99/94/572539994.db2.gz	OQMPYNPHDAGDAV-SECBINFHSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@@H](CC(C)C)C(=O)C1CC1	308056248	572540027	/nfs/dbraw/zinc/54/00/27/572540027.db2.gz	OQMPYNPHDAGDAV-VIFPVBQESA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)c1ccc2occ(C=O)c2c1	74278016	572540245	/nfs/dbraw/zinc/54/02/45/572540245.db2.gz	PLSUHQRCTOSHFX-UHFFFAOYSA-N	0	0	188.226	3.369	10	0		AGAERN
CC1(C)[C@@H](c2ccc(O)cc2)C1(F)F	196840105	572540475	/nfs/dbraw/zinc/54/04/75/572540475.db2.gz	IBEMSVUONSDLAB-SECBINFHSA-N	0	0	198.212	3.151	10	0		AGAERN
O[C@@H]1CCCCC[C@H]1c1cccs1	53751693	572540593	/nfs/dbraw/zinc/54/05/93/572540593.db2.gz	MOIYDJDUUKUSSR-NXEZZACHSA-N	0	0	196.315	3.157	10	0		AGAERN
CC1(C)[C@H](c2ccc(O)cc2)C1(F)F	196840090	572541242	/nfs/dbraw/zinc/54/12/42/572541242.db2.gz	IBEMSVUONSDLAB-VIFPVBQESA-N	0	0	198.212	3.151	10	0		AGAERN
O[C@H]1CCCCC[C@H]1c1cccs1	53751689	572541275	/nfs/dbraw/zinc/54/12/75/572541275.db2.gz	MOIYDJDUUKUSSR-ZJUUUORDSA-N	0	0	196.315	3.157	10	0		AGAERN
CC[C@@H](CC(C)C)c1onc(N)c1C	308057374	572541574	/nfs/dbraw/zinc/54/15/74/572541574.db2.gz	PMBOOCLSHFCOCF-VIFPVBQESA-N	0	0	196.294	3.105	10	0		AGAERN
CCC(CC)C[C@@H](O)CC(C)C	87523316	572549009	/nfs/dbraw/zinc/54/90/09/572549009.db2.gz	DSCBWPQZPXLUEO-NSHDSACASA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@@](O)(c1ccccc1)C1CC1	84374978	572541654	/nfs/dbraw/zinc/54/16/54/572541654.db2.gz	SPQLOJBJQIIEEE-CYBMUJFWSA-N	0	0	190.286	3.084	10	0		AGAERN
CC[C@H](C)CCC/C=C/[C@@H](C)O	238309330	572549165	/nfs/dbraw/zinc/54/91/65/572549165.db2.gz	RFTLKQVPYPLGNF-RZABIFLQSA-N	0	0	170.296	3.140	10	0		AGAERN
CCSc1cc(OC)ccc1CC	238298833	572541815	/nfs/dbraw/zinc/54/18/15/572541815.db2.gz	YCJFPOVIODINBI-UHFFFAOYSA-N	0	0	196.315	3.370	10	0		AGAERN
CCC[C@](O)(c1ccccc1)C1CC1	84374979	572542186	/nfs/dbraw/zinc/54/21/86/572542186.db2.gz	SPQLOJBJQIIEEE-ZDUSSCGKSA-N	0	0	190.286	3.084	10	0		AGAERN
C/C(=C/Cl)CSC(C)C	307796714	572542264	/nfs/dbraw/zinc/54/22/64/572542264.db2.gz	FFWRKXAPQOGEJZ-DAXSKMNVSA-N	0	0	164.701	3.271	10	0		AGAERN
CC(C)C(=O)CC1CCCCC1	53765150	572542515	/nfs/dbraw/zinc/54/25/15/572542515.db2.gz	MUAWAXBIXYYHCP-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@H](C)CC(=O)CC(C)C	53765023	572542381	/nfs/dbraw/zinc/54/23/81/572542381.db2.gz	CQVPZDRIGLKPNS-JTQLQIEISA-N	0	0	170.296	3.428	10	0		AGAERN
CC[C@H](CC(C)C)c1onc(N)c1C	308057372	572542456	/nfs/dbraw/zinc/54/24/56/572542456.db2.gz	PMBOOCLSHFCOCF-SECBINFHSA-N	0	0	196.294	3.105	10	0		AGAERN
CCC[C@@H](C)CC(=O)C(C)C	53765185	572542473	/nfs/dbraw/zinc/54/24/73/572542473.db2.gz	REMSPPNPTKCBDA-SECBINFHSA-N	0	0	156.269	3.038	10	0		AGAERN
CC[C@H](C)CC(=O)C(C)(C)C	53766240	572542556	/nfs/dbraw/zinc/54/25/56/572542556.db2.gz	CNIOLNBJXHHNAS-QMMMGPOBSA-N	0	0	156.269	3.038	10	0		AGAERN
CC[C@H](C)[C@@H](O)/C=C/c1ccccc1	238299480	572542579	/nfs/dbraw/zinc/54/25/79/572542579.db2.gz	ZUKLVIIJJBDGIE-DUOIGYQMSA-N	0	0	190.286	3.107	10	0		AGAERN
CC[C@@H](C)CC(=O)C(C)(C)C	53766237	572542596	/nfs/dbraw/zinc/54/25/96/572542596.db2.gz	CNIOLNBJXHHNAS-MRVPVSSYSA-N	0	0	156.269	3.038	10	0		AGAERN
Cc1ccc2c(c1)NCC[C@H]2C1CC1	74278613	572542673	/nfs/dbraw/zinc/54/26/73/572542673.db2.gz	WHRRGTCQLVSGPJ-NSHDSACASA-N	0	0	187.286	3.304	10	0		AGAERN
Cc1ccc2c(c1)NCC[C@@H]2C1CC1	74278610	572542879	/nfs/dbraw/zinc/54/28/79/572542879.db2.gz	WHRRGTCQLVSGPJ-LLVKDONJSA-N	0	0	187.286	3.304	10	0		AGAERN
CC(C)C(=O)CCC(C)(C)C	53765218	572542949	/nfs/dbraw/zinc/54/29/49/572542949.db2.gz	AEKITXOGZSNKNJ-UHFFFAOYSA-N	0	0	156.269	3.038	10	0		AGAERN
CC[C@@H](C)CC(=O)c1cccs1	53763190	572543276	/nfs/dbraw/zinc/54/32/76/572543276.db2.gz	VUOJJIBOHNVTMS-MRVPVSSYSA-N	0	0	182.288	3.367	10	0		AGAERN
CC[C@H](/C(C)=C/CO)c1ccccc1	238304881	572543832	/nfs/dbraw/zinc/54/38/32/572543832.db2.gz	MDIAXGRHZGTLSP-YGNAEDSMSA-N	0	0	190.286	3.119	10	0		AGAERN
CC[C@H]1CCC[C@@H]1CCC(C)=O	238304939	572543868	/nfs/dbraw/zinc/54/38/68/572543868.db2.gz	DJQMBISQUFVJPO-WDEREUQCSA-N	0	0	168.280	3.182	10	0		AGAERN
CCSc1ccc(CC)c(OC)c1	238300630	572544262	/nfs/dbraw/zinc/54/42/62/572544262.db2.gz	YVYJTRUWCSQLLY-UHFFFAOYSA-N	0	0	196.315	3.370	10	0		AGAERN
CCCCC(=C=C(C)C)C[C@@H](C)O	90759898	572544449	/nfs/dbraw/zinc/54/44/49/572544449.db2.gz	USCODUAOFINTNQ-LLVKDONJSA-N	0	0	182.307	3.439	10	0		AGAERN
CCc1cccc(N)c1-c1ccccc1	238301444	572544834	/nfs/dbraw/zinc/54/48/34/572544834.db2.gz	RPHMUHDQXQIFFG-UHFFFAOYSA-N	0	0	197.281	3.498	10	0		AGAERN
CSCCSC/C(C)=C\Cl	307797484	572544923	/nfs/dbraw/zinc/54/49/23/572544923.db2.gz	VFVXLKWIMLRYFA-ALCCZGGFSA-N	0	0	196.768	3.225	10	0		AGAERN
CC[C@@H](/C=C/c1ccccc1)CCO	238303322	572545789	/nfs/dbraw/zinc/54/57/89/572545789.db2.gz	PAAVXCMEMOLWPU-BCPZQOPPSA-N	0	0	190.286	3.108	10	0		AGAERN
CCc1c[nH]c2ccc3ncccc3c12	238303243	572545953	/nfs/dbraw/zinc/54/59/53/572545953.db2.gz	ZYTQIWIXTAJVIH-UHFFFAOYSA-N	0	0	196.253	3.279	10	0		AGAERN
CCCC(=O)[C@@H](CC)CC(C)C	308060625	572546495	/nfs/dbraw/zinc/54/64/95/572546495.db2.gz	YLIVCIWCSUNRPY-JTQLQIEISA-N	0	0	170.296	3.428	10	0		AGAERN
CC[C@H](C)CCc1ccccc1CO	238310488	572546727	/nfs/dbraw/zinc/54/67/27/572546727.db2.gz	DAQAAQCNXCELMV-NSHDSACASA-N	0	0	192.302	3.158	10	0		AGAERN
CC[C@@H](C)C[C@H](O)c1ccc(C)cc1	53782460	572546745	/nfs/dbraw/zinc/54/67/45/572546745.db2.gz	ADFJFUPZJSKFOV-MFKMUULPSA-N	0	0	192.302	3.465	10	0		AGAERN
CC[C@H](C)C(=O)C(C)(CC)CC	238305646	572546890	/nfs/dbraw/zinc/54/68/90/572546890.db2.gz	MCWZLNKUDBAWDN-VIFPVBQESA-N	0	0	170.296	3.428	10	0		AGAERN
CC[C@H](C)CC(=O)c1ccccc1O	238308984	572546908	/nfs/dbraw/zinc/54/69/08/572546908.db2.gz	BEUASHGLROCJGR-VIFPVBQESA-N	0	0	192.258	3.011	10	0		AGAERN
CCCC(=O)[C@H](CC)CC(C)C	308060626	572546984	/nfs/dbraw/zinc/54/69/84/572546984.db2.gz	YLIVCIWCSUNRPY-SNVBAGLBSA-N	0	0	170.296	3.428	10	0		AGAERN
CC[C@H](C)CCOc1ccc(O)cc1	238310014	572547177	/nfs/dbraw/zinc/54/71/77/572547177.db2.gz	TXPLLNGMBXZEBM-JTQLQIEISA-N	0	0	194.274	3.207	10	0		AGAERN
CC[C@H](C)CC[C@@H](C(C)C)[C@@H](C)O	238310024	572547226	/nfs/dbraw/zinc/54/72/26/572547226.db2.gz	MMRIISDQNMYYDF-TUAOUCFPSA-N	0	0	186.339	3.466	10	0		AGAERN
CCCCC[C@H](O)C1CCCC1	53785253	572547485	/nfs/dbraw/zinc/54/74/85/572547485.db2.gz	PNNGUDOPIZRUEO-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
CC(C)CC(=O)CCCC(F)(F)F	87521501	572547515	/nfs/dbraw/zinc/54/75/15/572547515.db2.gz	MWFUEZUQQPGNFT-UHFFFAOYSA-N	0	0	196.212	3.334	10	0		AGAERN
C/C=C\[C@H](CC)[C@H](CO)CCCC	208010471	572547525	/nfs/dbraw/zinc/54/75/25/572547525.db2.gz	JFAUDZKVXDFZIN-MUDVKMOPSA-N	0	0	184.323	3.387	10	0		AGAERN
CC(C)CC(=O)CCC1CCC1	87521616	572547636	/nfs/dbraw/zinc/54/76/36/572547636.db2.gz	IXQOVUXFYDRGKL-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@@H](C)[C@H](O)CCC(C)(F)F	714016583	572547605	/nfs/dbraw/zinc/54/76/05/572547605.db2.gz	CSIIJIBEAJIIOS-RKDXNWHRSA-N	0	0	194.265	3.219	10	0		AGAERN
CCC(CC)CC(=O)CC(C)C	87521437	572547742	/nfs/dbraw/zinc/54/77/42/572547742.db2.gz	JKCDMMLROQWDSH-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
CC[C@H](C)CCCCCCCC(N)=O	238309547	572547767	/nfs/dbraw/zinc/54/77/67/572547767.db2.gz	IHQYYPOXAWZCFI-NSHDSACASA-N	0	0	199.338	3.249	10	0		AGAERN
CC[C@H](C)C(=O)C(C)(C)C(C)C	238305635	572547835	/nfs/dbraw/zinc/54/78/35/572547835.db2.gz	MRTFQXSXDVBTDA-VIFPVBQESA-N	0	0	170.296	3.284	10	0		AGAERN
CC[C@H]1CCC[C@H]1CCC(C)=O	238305798	572547815	/nfs/dbraw/zinc/54/78/15/572547815.db2.gz	DJQMBISQUFVJPO-QWRGUYRKSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)CC(=O)CCCC1CC1	87521530	572548083	/nfs/dbraw/zinc/54/80/83/572548083.db2.gz	WZJXTDDLDOPLEM-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)(C)[C@H](O)CC1CCCCC1	53784835	572548201	/nfs/dbraw/zinc/54/82/01/572548201.db2.gz	KMTJTSMUIKSYMC-LLVKDONJSA-N	0	0	184.323	3.364	10	0		AGAERN
O[C@@H](CC1CCCC1)C1CCCC1	53785299	572548204	/nfs/dbraw/zinc/54/82/04/572548204.db2.gz	LPOYXUSCWUQFCE-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@H](C)CC[C@H](C(C)C)[C@@H](C)O	238310234	572548206	/nfs/dbraw/zinc/54/82/06/572548206.db2.gz	MMRIISDQNMYYDF-QJPTWQEYSA-N	0	0	186.339	3.466	10	0		AGAERN
CCC[C@H](C)[C@H](O)CCC(C)(F)F	714016579	572548350	/nfs/dbraw/zinc/54/83/50/572548350.db2.gz	CSIIJIBEAJIIOS-DTWKUNHWSA-N	0	0	194.265	3.219	10	0		AGAERN
C[C@@H](O)CC(C)(C)Cc1cccs1	84417909	572548412	/nfs/dbraw/zinc/54/84/12/572548412.db2.gz	PWYLBUNGUGRZKE-SECBINFHSA-N	0	0	198.331	3.088	10	0		AGAERN
CC(C)C[C@@H](O)CCC1CCCC1	87523265	572548447	/nfs/dbraw/zinc/54/84/47/572548447.db2.gz	YIRMFNQVJAAPEX-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CS[C@@H]1CCCC[C@@H]1n1cccc1	235146976	572548656	/nfs/dbraw/zinc/54/86/56/572548656.db2.gz	UISBSGOOWJOHLC-WDEREUQCSA-N	0	0	195.331	3.335	10	0		AGAERN
CCC[C@H](C)[C@@H](O)CCC(C)(F)F	714016582	572548709	/nfs/dbraw/zinc/54/87/09/572548709.db2.gz	CSIIJIBEAJIIOS-IUCAKERBSA-N	0	0	194.265	3.219	10	0		AGAERN
c1cc(NC2CCC2)c2cnccc2c1	87521274	572548729	/nfs/dbraw/zinc/54/87/29/572548729.db2.gz	MNOFCYYDDKIHRM-UHFFFAOYSA-N	0	0	198.269	3.199	10	0		AGAERN
CC[C@H](C)CCC/C=C/[C@H](C)O	238309339	572548818	/nfs/dbraw/zinc/54/88/18/572548818.db2.gz	RFTLKQVPYPLGNF-AHVQJPNGSA-N	0	0	170.296	3.140	10	0		AGAERN
CC(C)=CCC[C@H](O)CC(C)C	87523410	572549008	/nfs/dbraw/zinc/54/90/08/572549008.db2.gz	MXEBPFMWEOFGJD-NSHDSACASA-N	0	0	170.296	3.140	10	0		AGAERN
CC[C@H](C)CCC(=O)CC(C)C	87521573	572549043	/nfs/dbraw/zinc/54/90/43/572549043.db2.gz	JNKYUKJQBSVWGE-JTQLQIEISA-N	0	0	170.296	3.428	10	0		AGAERN
CC(C)=CCC[C@@H](O)CC(C)C	87523408	572549101	/nfs/dbraw/zinc/54/91/01/572549101.db2.gz	MXEBPFMWEOFGJD-LLVKDONJSA-N	0	0	170.296	3.140	10	0		AGAERN
CCC[C@@H](C)[C@@H](O)CCC(C)(F)F	714016577	572549123	/nfs/dbraw/zinc/54/91/23/572549123.db2.gz	CSIIJIBEAJIIOS-BDAKNGLRSA-N	0	0	194.265	3.219	10	0		AGAERN
CC(C)C[C@@H](O)CCCC(F)(F)F	87523139	572549151	/nfs/dbraw/zinc/54/91/51/572549151.db2.gz	ABPOLBUGRSNPQD-QMMMGPOBSA-N	0	0	198.228	3.126	10	0		AGAERN
CC(C)CCC[C@H](O)CC(C)C	87522852	572549208	/nfs/dbraw/zinc/54/92/08/572549208.db2.gz	BASXTSGIAXXWJC-NSHDSACASA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@H](C)CC(C)(C)C[C@H](C)O	84417940	572549221	/nfs/dbraw/zinc/54/92/21/572549221.db2.gz	WMMFNYKGLBYKTJ-UWVGGRQHSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@@H](C)CC(C)(C)C[C@H](C)O	84417937	572549385	/nfs/dbraw/zinc/54/93/85/572549385.db2.gz	WMMFNYKGLBYKTJ-ZJUUUORDSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC(CC)C[C@H](O)CC(C)C	87523314	572549398	/nfs/dbraw/zinc/54/93/98/572549398.db2.gz	DSCBWPQZPXLUEO-LLVKDONJSA-N	0	0	172.312	3.220	10	0		AGAERN
CC(C)C[C@H](O)CCC1CCCC1	87523262	572549476	/nfs/dbraw/zinc/54/94/76/572549476.db2.gz	YIRMFNQVJAAPEX-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H](C)CCC(=O)CC(C)C	87521572	572549503	/nfs/dbraw/zinc/54/95/03/572549503.db2.gz	JNKYUKJQBSVWGE-SNVBAGLBSA-N	0	0	170.296	3.428	10	0		AGAERN
CC(C)CCC[C@@H](O)CC(C)C	87522853	572549549	/nfs/dbraw/zinc/54/95/49/572549549.db2.gz	BASXTSGIAXXWJC-LLVKDONJSA-N	0	0	172.312	3.220	10	0		AGAERN
O[C@H](CC1CCCC1)C1CCCC1	53785300	572550104	/nfs/dbraw/zinc/55/01/04/572550104.db2.gz	LPOYXUSCWUQFCE-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
CCC[C@@H](C)C[C@H](O)C1CCCC1	53785289	572549831	/nfs/dbraw/zinc/54/98/31/572549831.db2.gz	MCENZCBOYJWCRE-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@H](O)CC(C)(C)Cc1ccsc1	84418068	572549908	/nfs/dbraw/zinc/54/99/08/572549908.db2.gz	ZMWWVFJHEDVRRX-SECBINFHSA-N	0	0	198.331	3.088	10	0		AGAERN
CC(C)(C)[C@@H](O)CC1CCCCC1	53784836	572550013	/nfs/dbraw/zinc/55/00/13/572550013.db2.gz	KMTJTSMUIKSYMC-NSHDSACASA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)CCCC(=O)CC(C)C	87521431	572550078	/nfs/dbraw/zinc/55/00/78/572550078.db2.gz	AAMBBAMFEUDZDW-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
CC[C@H](C)CC(C)(C)C[C@@H](C)O	84417931	572550224	/nfs/dbraw/zinc/55/02/24/572550224.db2.gz	WMMFNYKGLBYKTJ-VHSXEESVSA-N	0	0	172.312	3.220	10	0		AGAERN
C[C@H](O)CC(C)(C)Cc1ccsc1	84418066	572550621	/nfs/dbraw/zinc/55/06/21/572550621.db2.gz	ZMWWVFJHEDVRRX-VIFPVBQESA-N	0	0	198.331	3.088	10	0		AGAERN
CCc1nc2ccccc2c2cc[nH]c12	238312065	572550886	/nfs/dbraw/zinc/55/08/86/572550886.db2.gz	ZPXNFFWYUKOZQM-UHFFFAOYSA-N	0	0	196.253	3.279	10	0		AGAERN
CC[C@@H](C)CC(C)(C)C[C@@H](C)O	84417930	572551136	/nfs/dbraw/zinc/55/11/36/572551136.db2.gz	WMMFNYKGLBYKTJ-NXEZZACHSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@@H](C)Oc1cc(N)ccc1Cl	69635181	572552389	/nfs/dbraw/zinc/55/23/89/572552389.db2.gz	ZFHOUDDVQNDUIW-SSDOTTSWSA-N	0	0	199.681	3.100	10	0		AGAERN
CC/C=C\[C@@H](O)CCCCCC	208058221	572552505	/nfs/dbraw/zinc/55/25/05/572552505.db2.gz	SGDZTKNHKIOQGK-DHHDDZJSSA-N	0	0	170.296	3.284	10	0		AGAERN
CC[C@H](C)Oc1cc(N)ccc1Cl	69635183	572552595	/nfs/dbraw/zinc/55/25/95/572552595.db2.gz	ZFHOUDDVQNDUIW-ZETCQYMHSA-N	0	0	199.681	3.100	10	0		AGAERN
CCSc1cccc(OC2CC2)c1	238310657	572552877	/nfs/dbraw/zinc/55/28/77/572552877.db2.gz	KBENMMBYXMATBG-UHFFFAOYSA-N	0	0	194.299	3.340	10	0		AGAERN
Cc1ccsc1[C@](C)(O)CC(C)C	69637212	572553127	/nfs/dbraw/zinc/55/31/27/572553127.db2.gz	YYEPTMYCMPFTOY-LLVKDONJSA-N	0	0	198.331	3.310	10	0		AGAERN
Cc1ccsc1[C@@](C)(O)CC(C)C	69637213	572553307	/nfs/dbraw/zinc/55/33/07/572553307.db2.gz	YYEPTMYCMPFTOY-NSHDSACASA-N	0	0	198.331	3.310	10	0		AGAERN
CNc1ccc(-c2cccc(C)c2)cn1	238316606	572553920	/nfs/dbraw/zinc/55/39/20/572553920.db2.gz	DBIVBYWIBFZUAJ-UHFFFAOYSA-N	0	0	198.269	3.099	10	0		AGAERN
CCC(=O)C[C@H](C)C[C@@H](C)CC	238315950	572554494	/nfs/dbraw/zinc/55/44/94/572554494.db2.gz	ZHJDVYLXVZIWSF-VHSXEESVSA-N	0	0	170.296	3.428	10	0		AGAERN
CNc1ccc(-c2ccccc2C)cn1	238316694	572555505	/nfs/dbraw/zinc/55/55/05/572555505.db2.gz	QFVITEZUXHMJHB-UHFFFAOYSA-N	0	0	198.269	3.099	10	0		AGAERN
C=Cc1ccccc1/C=C/[C@@H](O)CC	238316679	572555677	/nfs/dbraw/zinc/55/56/77/572555677.db2.gz	URFZEHQIRRBPKN-LXKVQUBZSA-N	0	0	188.270	3.114	10	0		AGAERN
CC(C)[C@@H](C)[C@@H](O)C1=CCCCC1	69689678	572556198	/nfs/dbraw/zinc/55/61/98/572556198.db2.gz	QNXVCIIKJBQNES-ZYHUDNBSSA-N	0	0	182.307	3.140	10	0		AGAERN
CCC(=O)C[C@@H](C)C[C@@H](C)CC	238317687	572556202	/nfs/dbraw/zinc/55/62/02/572556202.db2.gz	ZHJDVYLXVZIWSF-UWVGGRQHSA-N	0	0	170.296	3.428	10	0		AGAERN
CNc1ccc(-c2ccc(C)cc2)cn1	238316528	572556364	/nfs/dbraw/zinc/55/63/64/572556364.db2.gz	IBGGTKVMWOOOCJ-UHFFFAOYSA-N	0	0	198.269	3.099	10	0		AGAERN
C[C@@H]1CC[C@@H](n2cccc2)[C@H](C)C1	69677419	572556665	/nfs/dbraw/zinc/55/66/65/572556665.db2.gz	WEOWLPNFRAHZAH-IJLUTSLNSA-N	0	0	177.291	3.485	10	0		AGAERN
CCCCSCC(=O)[C@@H](C)CC	87537228	572556901	/nfs/dbraw/zinc/55/69/01/572556901.db2.gz	ROZZAKRUQSGEAH-VIFPVBQESA-N	0	0	188.336	3.135	10	0		AGAERN
CCc1cc(-c2ccccc2O)ccn1	307808544	572557358	/nfs/dbraw/zinc/55/73/58/572557358.db2.gz	XEXXNNLSEAHMSI-UHFFFAOYSA-N	0	0	199.253	3.017	10	0		AGAERN
CC(C)=C/C(C)=C\Br	307809188	572557417	/nfs/dbraw/zinc/55/74/17/572557417.db2.gz	FLQDFWMKVMISSS-ALCCZGGFSA-N	0	0	175.069	3.251	10	0		AGAERN
Cc1ccc(/C(Cl)=C\Cl)cn1	307807770	572557421	/nfs/dbraw/zinc/55/74/21/572557421.db2.gz	VWBTVNQZNZTDFS-XBXARRHUSA-N	0	0	188.057	3.166	10	0		AGAERN
CCCCSCC(=O)[C@H](C)CC	87537230	572557496	/nfs/dbraw/zinc/55/74/96/572557496.db2.gz	ROZZAKRUQSGEAH-SECBINFHSA-N	0	0	188.336	3.135	10	0		AGAERN
CCCO[P@@](=O)(/C=C\Cl)CC	307810668	572557579	/nfs/dbraw/zinc/55/75/79/572557579.db2.gz	ZSJQNMWCHHEYAV-JPVGGKMYSA-N	0	0	196.614	3.421	10	0		AGAERN
CC(C)[C@H](C)[C@H](O)C1=CCCCC1	69689676	572557645	/nfs/dbraw/zinc/55/76/45/572557645.db2.gz	QNXVCIIKJBQNES-JQWIXIFHSA-N	0	0	182.307	3.140	10	0		AGAERN
CC(C)[C@@H](C)[C@H](O)C1=CCCCC1	69689671	572557715	/nfs/dbraw/zinc/55/77/15/572557715.db2.gz	QNXVCIIKJBQNES-PWSUYJOCSA-N	0	0	182.307	3.140	10	0		AGAERN
CNc1cccc(Nc2ccccc2)c1	238319978	572558327	/nfs/dbraw/zinc/55/83/27/572558327.db2.gz	AMZOIVDPRVDDFA-UHFFFAOYSA-N	0	0	198.269	3.472	10	0		AGAERN
C=C=C1Cc2ccc(C)cc2N[C@@H]1CC	238318514	572558441	/nfs/dbraw/zinc/55/84/41/572558441.db2.gz	PPPZWPOECZRZSL-CYBMUJFWSA-N	0	0	199.297	3.453	10	0		AGAERN
CCCO[P@](=O)(/C=C\Cl)CC	307810669	572558657	/nfs/dbraw/zinc/55/86/57/572558657.db2.gz	ZSJQNMWCHHEYAV-XOIDGJRKSA-N	0	0	196.614	3.421	10	0		AGAERN
CC(C)[C@H](C)[C@@H](O)C1=CCCCC1	69689681	572559770	/nfs/dbraw/zinc/55/97/70/572559770.db2.gz	QNXVCIIKJBQNES-CMPLNLGQSA-N	0	0	182.307	3.140	10	0		AGAERN
CCc1cc2ncccc2c2cc[nH]c12	238319425	572558898	/nfs/dbraw/zinc/55/88/98/572558898.db2.gz	DALVEIQZWYBIBI-UHFFFAOYSA-N	0	0	196.253	3.279	10	0		AGAERN
C[C@@H]1CC[C@H](n2cccc2)[C@H](C)C1	69677413	572559366	/nfs/dbraw/zinc/55/93/66/572559366.db2.gz	WEOWLPNFRAHZAH-UTUOFQBUSA-N	0	0	177.291	3.485	10	0		AGAERN
C=C/C=C/CCCc1ccccn1	713725348	572559616	/nfs/dbraw/zinc/55/96/16/572559616.db2.gz	MCZDNNKRILJDAP-ONEGZZNKSA-N	0	0	173.259	3.147	10	0		AGAERN
CC(=O)CCCc1ccc(F)cc1C	84454927	572560284	/nfs/dbraw/zinc/56/02/84/572560284.db2.gz	PZIAWGYSJLWIML-UHFFFAOYSA-N	0	0	194.249	3.046	10	0		AGAERN
C/C=C\CC/C=C\Cl	307813837	572560351	/nfs/dbraw/zinc/56/03/51/572560351.db2.gz	JFNNCBMZJFFOOZ-QPHZJVINSA-N	0	0	130.618	3.095	10	0		AGAERN
CC[C@@H](C)n1ccc(CC(C)C)n1	87527232	572560394	/nfs/dbraw/zinc/56/03/94/572560394.db2.gz	PEZOZMITEYXZOM-SNVBAGLBSA-N	0	0	180.295	3.053	10	0		AGAERN
C=C/C=C\CCCc1ccccn1	713725345	572560516	/nfs/dbraw/zinc/56/05/16/572560516.db2.gz	MCZDNNKRILJDAP-ARJAWSKDSA-N	0	0	173.259	3.147	10	0		AGAERN
CCC(CC)n1ccc(CC(C)C)n1	87527237	572560552	/nfs/dbraw/zinc/56/05/52/572560552.db2.gz	RQBDZWYXSOGEGU-UHFFFAOYSA-N	0	0	194.322	3.443	10	0		AGAERN
CCC[C@@H](C)COc1cccnc1F	87542524	572560640	/nfs/dbraw/zinc/56/06/40/572560640.db2.gz	UQVLIVDBZNVHFF-SECBINFHSA-N	0	0	197.253	3.036	10	0		AGAERN
CC[C@H](C)n1ccc(CC(C)C)n1	87527235	572560787	/nfs/dbraw/zinc/56/07/87/572560787.db2.gz	PEZOZMITEYXZOM-JTQLQIEISA-N	0	0	180.295	3.053	10	0		AGAERN
CCC[C@H](C)COc1cccnc1F	87542525	572561052	/nfs/dbraw/zinc/56/10/52/572561052.db2.gz	UQVLIVDBZNVHFF-VIFPVBQESA-N	0	0	197.253	3.036	10	0		AGAERN
CCCCC(=O)c1ccc(Cl)nc1	87545881	572561138	/nfs/dbraw/zinc/56/11/38/572561138.db2.gz	SRNZQMVCGDKTQW-UHFFFAOYSA-N	0	0	197.665	3.108	10	0		AGAERN
CCC(CC)Oc1ccc(Cl)nc1	87543247	572561409	/nfs/dbraw/zinc/56/14/09/572561409.db2.gz	UUNSHIXVYRIIRE-UHFFFAOYSA-N	0	0	199.681	3.302	10	0		AGAERN
CNc1ncc(-c2ccccc2)cc1C	238327677	572561621	/nfs/dbraw/zinc/56/16/21/572561621.db2.gz	IXXCELYHFXRQBI-UHFFFAOYSA-N	0	0	198.269	3.099	10	0		AGAERN
CC(C)/C(=C\[C@@H](C)O)c1cccs1	308063612	572561971	/nfs/dbraw/zinc/56/19/71/572561971.db2.gz	JVJLZPNIFYKZAZ-YIXGCBLDSA-N	0	0	196.315	3.168	10	0		AGAERN
Cc1ccc(C)n1C[C@H]1CC=CCC1	45630952	572562373	/nfs/dbraw/zinc/56/23/73/572562373.db2.gz	VLAVDGFQWFUDPK-ZDUSSCGKSA-N	0	0	189.302	3.461	10	0		AGAERN
CCc1ccc(Nc2cccnc2)cc1	238330085	572562763	/nfs/dbraw/zinc/56/27/63/572562763.db2.gz	JXHJFZMBWWKKCL-UHFFFAOYSA-N	0	0	198.269	3.388	10	0		AGAERN
CC(C)/C(=C\[C@H](C)O)c1cccs1	308063611	572562973	/nfs/dbraw/zinc/56/29/73/572562973.db2.gz	JVJLZPNIFYKZAZ-HZAKCSEPSA-N	0	0	196.315	3.168	10	0		AGAERN
CNc1nc2ccc3ccccc3c2o1	238331052	572563175	/nfs/dbraw/zinc/56/31/75/572563175.db2.gz	USENJGBTNREZBK-UHFFFAOYSA-N	0	0	198.225	3.023	10	0		AGAERN
CNc1nc2c(ccc3ccccc32)o1	238330901	572563529	/nfs/dbraw/zinc/56/35/29/572563529.db2.gz	PQVLGWZSQJXONF-UHFFFAOYSA-N	0	0	198.225	3.023	10	0		AGAERN
CC/C=C\C[C@H](O)C(CC)CC	308064798	572563949	/nfs/dbraw/zinc/56/39/49/572563949.db2.gz	YBPZBLCYHALVFL-TVRMLOFPSA-N	0	0	170.296	3.140	10	0		AGAERN
CC/C=C/C[C@@H](O)C(CC)CC	308064799	572564078	/nfs/dbraw/zinc/56/40/78/572564078.db2.gz	YBPZBLCYHALVFL-WSKFYRRCSA-N	0	0	170.296	3.140	10	0		AGAERN
CCC(=O)CSC(C)(C)C(C)C	308063183	572564116	/nfs/dbraw/zinc/56/41/16/572564116.db2.gz	XHUWYNMBBKESNH-UHFFFAOYSA-N	0	0	188.336	3.133	10	0		AGAERN
CCCC[C@@H](O)/C=C\C(C)(C)C	308065421	572565646	/nfs/dbraw/zinc/56/56/46/572565646.db2.gz	YLJKKSNFBWXMBW-HSTULFTRSA-N	0	0	170.296	3.140	10	0		AGAERN
CCCC[C@@H](O)/C=C/C(C)(C)C	308065420	572565690	/nfs/dbraw/zinc/56/56/90/572565690.db2.gz	YLJKKSNFBWXMBW-AAXQSMANSA-N	0	0	170.296	3.140	10	0		AGAERN
C=Cc1coc(/C=C/c2ccccc2)n1	114491504	572565847	/nfs/dbraw/zinc/56/58/47/572565847.db2.gz	IPDRXMVEASOMNH-CMDGGOBGSA-N	0	0	197.237	3.488	10	0		AGAERN
BrC1=CCCCCC=C1	307818992	572566060	/nfs/dbraw/zinc/56/60/60/572566060.db2.gz	WLJSDNHSQLWEAT-UHFFFAOYSA-N	0	0	187.080	3.395	10	0		AGAERN
CC(C)CCn1ccc(CC(C)C)n1	87527238	572566065	/nfs/dbraw/zinc/56/60/65/572566065.db2.gz	PRLHOYOHKJRMDZ-UHFFFAOYSA-N	0	0	194.322	3.128	10	0		AGAERN
CCC[C@@H](C)CC(=O)c1cncs1	87572716	572566801	/nfs/dbraw/zinc/56/68/01/572566801.db2.gz	XDPNVMSXXSQQOQ-MRVPVSSYSA-N	0	0	197.303	3.152	10	0		AGAERN
c1ccc(NCC2C[C@@H]3C[C@@H]3C2)cc1	87564239	572566889	/nfs/dbraw/zinc/56/68/89/572566889.db2.gz	ZBBIHKDGPXBDPQ-YOGCLGLASA-N	0	0	187.286	3.145	10	0		AGAERN
CCC[C@H](C)C[C@H](O)c1cncs1	87573664	572567025	/nfs/dbraw/zinc/56/70/25/572567025.db2.gz	DWAKNLFBBKWXEM-IUCAKERBSA-N	0	0	199.319	3.003	10	0		AGAERN
CCCC[C@H](C)c1nncn1C(C)C	300932201	572569757	/nfs/dbraw/zinc/56/97/57/572569757.db2.gz	MRABRRMOMVEANT-JTQLQIEISA-N	0	0	195.310	3.153	10	0		AGAERN
CC(C)(C)CC[C@@H](O)c1cncs1	87573081	572567110	/nfs/dbraw/zinc/56/71/10/572567110.db2.gz	SEISWVLVYKHRET-MRVPVSSYSA-N	0	0	199.319	3.003	10	0		AGAERN
CCC[C@H](C)C[C@@H](O)c1cncs1	87573668	572567272	/nfs/dbraw/zinc/56/72/72/572567272.db2.gz	DWAKNLFBBKWXEM-DTWKUNHWSA-N	0	0	199.319	3.003	10	0		AGAERN
c1ccc2[nH]c(C3C[C@@H]4C[C@@H]4C3)nc2c1	87564683	572567715	/nfs/dbraw/zinc/56/77/15/572567715.db2.gz	XNWLBJMNXJJKMO-ULKQDVFKSA-N	0	0	198.269	3.076	10	0		AGAERN
CCC[C@H](C)CC1(CO)C[C@@H]2C[C@@H]2C1	87567277	572567786	/nfs/dbraw/zinc/56/77/86/572567786.db2.gz	MWUVDKKPYMYMJX-ACJTYDJDSA-N	0	0	196.334	3.221	10	0		AGAERN
CC(C)(C)CC[C@H](O)c1cncs1	87573078	572568150	/nfs/dbraw/zinc/56/81/50/572568150.db2.gz	SEISWVLVYKHRET-QMMMGPOBSA-N	0	0	199.319	3.003	10	0		AGAERN
CCC[C@@H](C)C[C@@H](O)c1cncs1	87573666	572568389	/nfs/dbraw/zinc/56/83/89/572568389.db2.gz	DWAKNLFBBKWXEM-RKDXNWHRSA-N	0	0	199.319	3.003	10	0		AGAERN
CCCCCCC1(CO)C[C@@H]2C[C@@H]2C1	87567247	572568625	/nfs/dbraw/zinc/56/86/25/572568625.db2.gz	NRPWDTVKWJLFGK-FUNVUKJBSA-N	0	0	196.334	3.365	10	0		AGAERN
CCC[C@@H](C)C[C@H](O)c1cncs1	87573662	572568792	/nfs/dbraw/zinc/56/87/92/572568792.db2.gz	DWAKNLFBBKWXEM-BDAKNGLRSA-N	0	0	199.319	3.003	10	0		AGAERN
Cc1cc(F)cc(C(C)C)c1	114541447	572568986	/nfs/dbraw/zinc/56/89/86/572568986.db2.gz	BOCSZQBZTKRMGU-UHFFFAOYSA-N	0	0	152.212	3.258	10	0		AGAERN
CCC[C@@H](C)CC1(CO)C[C@@H]2C[C@@H]2C1	87567276	572569272	/nfs/dbraw/zinc/56/92/72/572569272.db2.gz	MWUVDKKPYMYMJX-FKJOKYEKSA-N	0	0	196.334	3.221	10	0		AGAERN
C/C=C(C)/C(C)=C\Cl	307824864	572569430	/nfs/dbraw/zinc/56/94/30/572569430.db2.gz	TZNDLQGNDAASOY-GUBXDBFYSA-N	0	0	130.618	3.095	10	0		AGAERN
CC(C)(C)CCC1(CO)C[C@@H]2C[C@@H]2C1	87567252	572569501	/nfs/dbraw/zinc/56/95/01/572569501.db2.gz	CNCREFQEIJLCDZ-QYJAPNMZSA-N	0	0	196.334	3.221	10	0		AGAERN
CCC[C@@H]1CC[C@H]2CCCC[C@@]12CO	251364464	572569680	/nfs/dbraw/zinc/56/96/80/572569680.db2.gz	PSVNYKBXZNVIMQ-JHJVBQTASA-N	0	0	196.334	3.365	10	0		AGAERN
Cc1c(F)cccc1C(C)C	114541274	572569643	/nfs/dbraw/zinc/56/96/43/572569643.db2.gz	GTNYWICTBYIEHT-UHFFFAOYSA-N	0	0	152.212	3.258	10	0		AGAERN
CCCCCC[C@H](O)c1cncs1	87573127	572569656	/nfs/dbraw/zinc/56/96/56/572569656.db2.gz	CQAAXAILIWGEBT-VIFPVBQESA-N	0	0	199.319	3.147	10	0		AGAERN
CCC[C@H](C)CC(=O)c1cncs1	87572718	572569729	/nfs/dbraw/zinc/56/97/29/572569729.db2.gz	XDPNVMSXXSQQOQ-QMMMGPOBSA-N	0	0	197.303	3.152	10	0		AGAERN
CCCCCCC(=O)c1cncs1	87572637	572569749	/nfs/dbraw/zinc/56/97/49/572569749.db2.gz	QPGFXQYHRCVPMY-UHFFFAOYSA-N	0	0	197.303	3.296	10	0		AGAERN
CCC[C@@H]1CC[C@@H]2CCCC[C@]21CO	251364462	572569759	/nfs/dbraw/zinc/56/97/59/572569759.db2.gz	PSVNYKBXZNVIMQ-FRRDWIJNSA-N	0	0	196.334	3.365	10	0		AGAERN
CCC(C)(C)C[C@@H]1CCCC1=O	713302072	572571955	/nfs/dbraw/zinc/57/19/55/572571955.db2.gz	FCDGOWHRARNJIY-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CCCCCC[C@@H](O)c1cncs1	87573128	572569907	/nfs/dbraw/zinc/56/99/07/572569907.db2.gz	CQAAXAILIWGEBT-SECBINFHSA-N	0	0	199.319	3.147	10	0		AGAERN
CC(C)(C)CCC(=O)c1cncs1	87572555	572570014	/nfs/dbraw/zinc/57/00/14/572570014.db2.gz	BUGFBIHGJAKIEH-UHFFFAOYSA-N	0	0	197.303	3.152	10	0		AGAERN
CCc1[nH]cc(C(C)C)c1C	45808772	572570211	/nfs/dbraw/zinc/57/02/11/572570211.db2.gz	MEDLBRIYOALIMU-UHFFFAOYSA-N	0	0	151.253	3.009	10	0		AGAERN
CC1(C(=O)CCc2ccsc2)CC1	87549266	572570579	/nfs/dbraw/zinc/57/05/79/572570579.db2.gz	HXUDLYSMOAWSED-UHFFFAOYSA-N	0	0	194.299	3.050	10	0		AGAERN
Cc1cc(C)c(OC(C)(C)C)c(N)c1	69760543	572570886	/nfs/dbraw/zinc/57/08/86/572570886.db2.gz	FNUKQPKFGJXSEX-UHFFFAOYSA-N	0	0	193.290	3.063	10	0		AGAERN
CC1(C(=O)CCc2cccs2)CC1	87549059	572571131	/nfs/dbraw/zinc/57/11/31/572571131.db2.gz	SRUHHLBSTMEGCO-UHFFFAOYSA-N	0	0	194.299	3.050	10	0		AGAERN
CC[C@@H](CC(C)(C)CC)C(C)=O	713302774	572571445	/nfs/dbraw/zinc/57/14/45/572571445.db2.gz	RQJYENZQFKNGCS-JTQLQIEISA-N	0	0	170.296	3.428	10	0		AGAERN
CCCCCC[C@H](O)C1(C)CC1	87549727	572571594	/nfs/dbraw/zinc/57/15/94/572571594.db2.gz	BXLSDXYYINAWAU-JTQLQIEISA-N	0	0	170.296	3.118	10	0		AGAERN
CC(C)C[C@@H](O)CCc1cccs1	84725192	572572275	/nfs/dbraw/zinc/57/22/75/572572275.db2.gz	SGAPEHUDGPTIQP-JTQLQIEISA-N	0	0	198.331	3.088	10	0		AGAERN
CCC(C)(C)C[C@H]1CCCC1=O	713302071	572572622	/nfs/dbraw/zinc/57/26/22/572572622.db2.gz	FCDGOWHRARNJIY-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@@H](C)CC(=O)C1(C)CC1	87549249	572572981	/nfs/dbraw/zinc/57/29/81/572572981.db2.gz	KXBPNVXIDYBTNM-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
C[C@H]1CC[C@H](C(=O)C2(C)CC2)C[C@@H]1C	87549365	572572986	/nfs/dbraw/zinc/57/29/86/572572986.db2.gz	WINXBKMWYUUYMB-DCAQKATOSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(=O)[C@@H](C)C[C@@H](C)CC(F)(F)F	402618160	572573032	/nfs/dbraw/zinc/57/30/32/572573032.db2.gz	INZIRHHUOCUIDJ-RQJHMYQMSA-N	0	0	196.212	3.190	10	0		AGAERN
Cc1cc(N)cc(C)c1OC(C)(C)C	69760547	572573268	/nfs/dbraw/zinc/57/32/68/572573268.db2.gz	XBBIRWPRVUHARG-UHFFFAOYSA-N	0	0	193.290	3.063	10	0		AGAERN
C[C@H]1CC[C@@H](C(=O)C2(C)CC2)C[C@@H]1C	87549369	572573273	/nfs/dbraw/zinc/57/32/73/572573273.db2.gz	WINXBKMWYUUYMB-GARJFASQSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)(C)CCC(=O)C1(C)CC1	87549057	572573369	/nfs/dbraw/zinc/57/33/69/572573369.db2.gz	FYAXSAUVUUMSRG-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@H](C)CC(=O)C1(C)CC1	87549251	572573411	/nfs/dbraw/zinc/57/34/11/572573411.db2.gz	KXBPNVXIDYBTNM-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
C[C@@H]1CC(C(=O)C2(C)CC2)C[C@H](C)C1	87548916	572573438	/nfs/dbraw/zinc/57/34/38/572573438.db2.gz	MSXKKLYUZBVOBV-ZACCUICWSA-N	0	0	194.318	3.428	10	0		AGAERN
CCCCCC[C@@H](O)C1(C)CC1	87549729	572573576	/nfs/dbraw/zinc/57/35/76/572573576.db2.gz	BXLSDXYYINAWAU-SNVBAGLBSA-N	0	0	170.296	3.118	10	0		AGAERN
CC(=O)[C@H](C)C[C@H](C)CC(F)(F)F	402618158	572573652	/nfs/dbraw/zinc/57/36/52/572573652.db2.gz	INZIRHHUOCUIDJ-NKWVEPMBSA-N	0	0	196.212	3.190	10	0		AGAERN
CC1(C(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)CC1	87548941	572573873	/nfs/dbraw/zinc/57/38/73/572573873.db2.gz	XGIFJHWQCZOGOW-HBNTYKKESA-N	0	0	192.302	3.182	10	0		AGAERN
CC1(C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	87548938	572573939	/nfs/dbraw/zinc/57/39/39/572573939.db2.gz	XGIFJHWQCZOGOW-AXFHLTTASA-N	0	0	192.302	3.182	10	0		AGAERN
CC(C)C[C@H](O)CCc1cccs1	84725189	572574095	/nfs/dbraw/zinc/57/40/95/572574095.db2.gz	SGAPEHUDGPTIQP-SNVBAGLBSA-N	0	0	198.331	3.088	10	0		AGAERN
CCC(C)(C)CC(=O)[C@@H]1CC12CC2	713293694	572574312	/nfs/dbraw/zinc/57/43/12/572574312.db2.gz	JWYJLRJZPKCVMO-VIFPVBQESA-N	0	0	180.291	3.182	10	0		AGAERN
CCC[C@H](C)CC(=O)CC1CC1	87580877	572574352	/nfs/dbraw/zinc/57/43/52/572574352.db2.gz	NYNZTTCFISEWPR-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@H](O)C[C@@H](CC)CC(F)(F)F	402623886	572574465	/nfs/dbraw/zinc/57/44/65/572574465.db2.gz	KFUBFLSCPPZFBV-SFYZADRCSA-N	0	0	198.228	3.126	10	0		AGAERN
CC(C)C(=O)CC(C)(C)C(C)C	713302695	572574532	/nfs/dbraw/zinc/57/45/32/572574532.db2.gz	PDMYQODGOVQRBT-UHFFFAOYSA-N	0	0	170.296	3.284	10	0		AGAERN
CCC[C@@H](O)CCCc1ccsc1	69766510	572574542	/nfs/dbraw/zinc/57/45/42/572574542.db2.gz	ZBEOUOVGUWVODX-LLVKDONJSA-N	0	0	198.331	3.232	10	0		AGAERN
CC(=O)[C@H](C)C[C@@H](C)CC(F)(F)F	402618159	572574544	/nfs/dbraw/zinc/57/45/44/572574544.db2.gz	INZIRHHUOCUIDJ-RNFRBKRXSA-N	0	0	196.212	3.190	10	0		AGAERN
CCC(C)(C)CC(=O)[C@H]1CC12CC2	713293693	572574564	/nfs/dbraw/zinc/57/45/64/572574564.db2.gz	JWYJLRJZPKCVMO-SECBINFHSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@H]1C[C@H]1C(=O)CC(C)(C)C	713304949	572575050	/nfs/dbraw/zinc/57/50/50/572575050.db2.gz	QYHLEUWDUNOZMR-DTWKUNHWSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@H]1CC[C@@H](C(=O)CC(C)(C)C)C1	713306467	572575059	/nfs/dbraw/zinc/57/50/59/572575059.db2.gz	WQDSIVCIQOQRCQ-VHSXEESVSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)(C)CC(=O)[C@H]1CC1(C)C	713306101	572575125	/nfs/dbraw/zinc/57/51/25/572575125.db2.gz	RHCKVOSOXURUQF-MRVPVSSYSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(C)(C)COc1ccc(O)cc1	713305601	572575228	/nfs/dbraw/zinc/57/52/28/572575228.db2.gz	YNTCSQSLXLVCHE-UHFFFAOYSA-N	0	0	194.274	3.207	10	0		AGAERN
CC(C)(C)CCC(=O)CC1CC1	87580763	572575256	/nfs/dbraw/zinc/57/52/56/572575256.db2.gz	IBNXFWZMBSDORL-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
C=Cc1cccc(-c2ccc(O)cc2)n1	114627439	572575545	/nfs/dbraw/zinc/57/55/45/572575545.db2.gz	SZMXCZFDDFLNEL-UHFFFAOYSA-N	0	0	197.237	3.097	10	0		AGAERN
C[C@@H]1CC[C@H](C(=O)CC(C)(C)C)C1	713306469	572575560	/nfs/dbraw/zinc/57/55/60/572575560.db2.gz	WQDSIVCIQOQRCQ-ZJUUUORDSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)(C)CC(=O)[C@@]12CCC[C@@H]1C2	713305230	572575600	/nfs/dbraw/zinc/57/56/00/572575600.db2.gz	AESABKGDCJQEBY-BXKDBHETSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H](C(=O)CC(C)(C)C)C1CCC1	713314152	572575634	/nfs/dbraw/zinc/57/56/34/572575634.db2.gz	AFXXQQDVEBUMAA-SECBINFHSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)(C)CC(=O)[C@@H]1CC1(C)C	713306104	572575656	/nfs/dbraw/zinc/57/56/56/572575656.db2.gz	RHCKVOSOXURUQF-QMMMGPOBSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCSCC(=O)CC(C)(C)C	713306069	572575671	/nfs/dbraw/zinc/57/56/71/572575671.db2.gz	QUNMQAQHUGJHFG-UHFFFAOYSA-N	0	0	188.336	3.135	10	0		AGAERN
O=C(CCc1ccsc1)CC1CC1	87580892	572575675	/nfs/dbraw/zinc/57/56/75/572575675.db2.gz	XLRGUKHQCSFWIE-UHFFFAOYSA-N	0	0	194.299	3.050	10	0		AGAERN
CC(C)(C)CC(=O)C1C2(CC2)C12CC2	713306050	572575838	/nfs/dbraw/zinc/57/58/38/572575838.db2.gz	QHKOGTCHTCEGCM-UHFFFAOYSA-N	0	0	192.302	3.182	10	0		AGAERN
O=C(CC1CC1)C[C@H]1C[C@H]2CC[C@@H]1C2	87580691	572575964	/nfs/dbraw/zinc/57/59/64/572575964.db2.gz	KJQGNIRWSNVFEC-QJPTWQEYSA-N	0	0	192.302	3.182	10	0		AGAERN
CCCCC[C@@H](C)CCCCO	114632906	572575972	/nfs/dbraw/zinc/57/59/72/572575972.db2.gz	CZYFHBWFGMYPMV-LLVKDONJSA-N	0	0	172.312	3.365	10	0	in-vitro	AGAERN
O=C(CC1CC1)C[C@@H]1C[C@H]2CC[C@@H]1C2	87580690	572575980	/nfs/dbraw/zinc/57/59/80/572575980.db2.gz	KJQGNIRWSNVFEC-TUAOUCFPSA-N	0	0	192.302	3.182	10	0		AGAERN
Cc1cc2nc(Cl)ccc2s1	164339231	572576021	/nfs/dbraw/zinc/57/60/21/572576021.db2.gz	FGJZNAGJCZDJMX-UHFFFAOYSA-N	0	0	183.663	3.258	10	0		AGAERN
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)CC(C)(C)C	713306425	572576037	/nfs/dbraw/zinc/57/60/37/572576037.db2.gz	WMTTXXKZWIJNFC-RCWTZXSCSA-N	0	0	194.318	3.284	10	0		AGAERN
C[C@H]1CC[C@H](C(=O)CC(C)(C)C)C1	713306466	572576088	/nfs/dbraw/zinc/57/60/88/572576088.db2.gz	WQDSIVCIQOQRCQ-UWVGGRQHSA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@H](C(=O)CC(C)(C)C)C1CCC1	713314154	572576093	/nfs/dbraw/zinc/57/60/93/572576093.db2.gz	AFXXQQDVEBUMAA-VIFPVBQESA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)CC(C)(C)C	713306447	572576101	/nfs/dbraw/zinc/57/61/01/572576101.db2.gz	WMTTXXKZWIJNFC-YTWAJWBKSA-N	0	0	194.318	3.284	10	0		AGAERN
CC[C@@H]1CCCC[C@H]1[C@H](O)CC1CC1	87581626	572576107	/nfs/dbraw/zinc/57/61/07/572576107.db2.gz	VHHLWBXWCKYLPF-JHJVBQTASA-N	0	0	196.334	3.364	10	0		AGAERN
O=C(CC/C=C/Cl)C1CCCC1	236009971	572577770	/nfs/dbraw/zinc/57/77/70/572577770.db2.gz	JLASVAOPBSFNNF-XBXARRHUSA-N	0	0	186.682	3.278	10	0		AGAERN
Cc1occc1C(=O)CC(C)(C)C	713306471	572576142	/nfs/dbraw/zinc/57/61/42/572576142.db2.gz	XABVZTPUAMQRFS-UHFFFAOYSA-N	0	0	180.247	3.207	10	0		AGAERN
CC[C@H]1C[C@@H]1C(=O)CC(C)(C)C	713304950	572576269	/nfs/dbraw/zinc/57/62/69/572576269.db2.gz	QYHLEUWDUNOZMR-IUCAKERBSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)CC(C)(C)C	713306442	572576430	/nfs/dbraw/zinc/57/64/30/572576430.db2.gz	WMTTXXKZWIJNFC-VPOLOUISSA-N	0	0	194.318	3.284	10	0		AGAERN
CC[C@@H]1C[C@@H]1C(=O)CC(C)(C)C	713304948	572576467	/nfs/dbraw/zinc/57/64/67/572576467.db2.gz	QYHLEUWDUNOZMR-BDAKNGLRSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1ccoc1C(=O)CC(C)(C)C	713305876	572576471	/nfs/dbraw/zinc/57/64/71/572576471.db2.gz	KJWNJLSPTVTEDV-UHFFFAOYSA-N	0	0	180.247	3.207	10	0		AGAERN
CC(C)(C)CC(=O)[C@]12CCC[C@H]1C2	713305232	572576479	/nfs/dbraw/zinc/57/64/79/572576479.db2.gz	AESABKGDCJQEBY-CABZTGNLSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1CC[C@@H](C(=O)CC(C)(C)C)C1	713306465	572576579	/nfs/dbraw/zinc/57/65/79/572576579.db2.gz	WQDSIVCIQOQRCQ-NXEZZACHSA-N	0	0	182.307	3.428	10	0		AGAERN
CC/C=C/C/C=C/C[C@H](O)CC	114653475	572580078	/nfs/dbraw/zinc/58/00/78/572580078.db2.gz	CBQBGGLHZUMEPV-ZYZIIRIYSA-N	0	0	168.280	3.060	10	0		AGAERN
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)CC(C)(C)C	713306400	572576694	/nfs/dbraw/zinc/57/66/94/572576694.db2.gz	WMTTXXKZWIJNFC-LMLFDSFASA-N	0	0	194.318	3.284	10	0		AGAERN
O=C(CCc1cccs1)CC1CC1	87580765	572576696	/nfs/dbraw/zinc/57/66/96/572576696.db2.gz	GVJHIVVMCKHLSX-UHFFFAOYSA-N	0	0	194.299	3.050	10	0		AGAERN
CC[C@@H](C)[C@@H](O)CCc1ccsc1	69766043	572576700	/nfs/dbraw/zinc/57/67/00/572576700.db2.gz	KKDLBVNOWYYUPZ-KOLCDFICSA-N	0	0	198.331	3.088	10	0		AGAERN
CC[C@@H]1C[C@H]1C(=O)CC(C)(C)C	713304951	572576710	/nfs/dbraw/zinc/57/67/10/572576710.db2.gz	QYHLEUWDUNOZMR-RKDXNWHRSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCCC[C@H](C)CCCCO	114632909	572576803	/nfs/dbraw/zinc/57/68/03/572576803.db2.gz	CZYFHBWFGMYPMV-NSHDSACASA-N	0	0	172.312	3.365	10	0	in-vitro	AGAERN
CC[C@H](CC(C)(C)CC)C(C)=O	713302775	572576822	/nfs/dbraw/zinc/57/68/22/572576822.db2.gz	RQJYENZQFKNGCS-SNVBAGLBSA-N	0	0	170.296	3.428	10	0		AGAERN
CC/C=C(C)/C=C(C)/C=C(\C)CO	212371586	572576838	/nfs/dbraw/zinc/57/68/38/572576838.db2.gz	SDMLYTWIKODSQL-LRVPIKKLSA-N	0	0	180.291	3.228	10	0		AGAERN
CCCCCC[C@@H](O)CC1CC1	87581149	572576891	/nfs/dbraw/zinc/57/68/91/572576891.db2.gz	YBYCFDCFXYMXBP-LLVKDONJSA-N	0	0	170.296	3.118	10	0		AGAERN
CCC[C@@H](C)CC(=O)CC1CC1	87580876	572576948	/nfs/dbraw/zinc/57/69/48/572576948.db2.gz	NYNZTTCFISEWPR-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1cccc(F)c1C(C)(C)C	114622572	572576983	/nfs/dbraw/zinc/57/69/83/572576983.db2.gz	URMBYEWOCOHCJP-UHFFFAOYSA-N	0	0	166.239	3.432	10	0		AGAERN
CC(C)SCC(=O)CC(C)(C)C	713305883	572577151	/nfs/dbraw/zinc/57/71/51/572577151.db2.gz	KYWRDEOEDRVPQU-UHFFFAOYSA-N	0	0	188.336	3.133	10	0		AGAERN
C[C@@H]1CC(C(=O)CC2CC2)C[C@H](C)C1	87580671	572577291	/nfs/dbraw/zinc/57/72/91/572577291.db2.gz	OLJHIDBPYFFINV-DHHPTOIESA-N	0	0	194.318	3.428	10	0		AGAERN
CCc1cc(SC)ccc1COC	238343537	572577321	/nfs/dbraw/zinc/57/73/21/572577321.db2.gz	CMIJNVHULQRTKQ-UHFFFAOYSA-N	0	0	196.315	3.117	10	0		AGAERN
O[C@H](CC1CCCCC1)CC1CC1	87581466	572577407	/nfs/dbraw/zinc/57/74/07/572577407.db2.gz	VGDMPVZZGXPWQL-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1[C@H](O)CC1CC1	87581622	572577434	/nfs/dbraw/zinc/57/74/34/572577434.db2.gz	VHHLWBXWCKYLPF-FRRDWIJNSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@H]1CC[C@@H](C(=O)CC2CC2)C[C@@H]1C	87580952	572577482	/nfs/dbraw/zinc/57/74/82/572577482.db2.gz	MUBMQRXJKXMYBC-JBLDHEPKSA-N	0	0	194.318	3.428	10	0		AGAERN
O=C(CC1CCCCC1)CC1CC1	87580842	572577510	/nfs/dbraw/zinc/57/75/10/572577510.db2.gz	BQZGZPPJNPCWHF-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
C[C@H]1CC[C@H](C(=O)CC2CC2)C[C@@H]1C	87580948	572577561	/nfs/dbraw/zinc/57/75/61/572577561.db2.gz	MUBMQRXJKXMYBC-NHCYSSNCSA-N	0	0	194.318	3.428	10	0		AGAERN
CCOC(=O)[C@@H]1CCC[C@@H](C(C)C)C1	114658698	572577874	/nfs/dbraw/zinc/57/78/74/572577874.db2.gz	YZJBVHVMWOWUGP-GHMZBOCLSA-N	0	0	198.306	3.012	10	0		AGAERN
CCCCC[C@@H](C(C)=O)/C(C)=C\OC	713319242	572578528	/nfs/dbraw/zinc/57/85/28/572578528.db2.gz	VPSNFWMMROESEM-ZWLSGLHFSA-N	0	0	198.306	3.322	10	0		AGAERN
CCOC(=O)[C@H]1CCC[C@H](C(C)C)C1	114658697	572578535	/nfs/dbraw/zinc/57/85/35/572578535.db2.gz	YZJBVHVMWOWUGP-QWRGUYRKSA-N	0	0	198.306	3.012	10	0		AGAERN
CCOC(=O)[C@@H]1CCC[C@H](C(C)C)C1	114658695	572578783	/nfs/dbraw/zinc/57/87/83/572578783.db2.gz	YZJBVHVMWOWUGP-WDEREUQCSA-N	0	0	198.306	3.012	10	0		AGAERN
CCCCC(C)(C)C(=O)C(C)C	114665009	572578950	/nfs/dbraw/zinc/57/89/50/572578950.db2.gz	IFAOONSUFVPUIN-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
CNc1cccn2c1cc1ccccc12	238344279	572579199	/nfs/dbraw/zinc/57/91/99/572579199.db2.gz	WTNRQDGTQKECRE-UHFFFAOYSA-N	0	0	196.253	3.134	10	0		AGAERN
CC(C)(C)CC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21	713342307	572579385	/nfs/dbraw/zinc/57/93/85/572579385.db2.gz	MQEMQKMOHMGYAN-MXWKQRLJSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)(C)CC(=O)[C@@H]1CCC[C@H]2C[C@H]21	713342304	572579762	/nfs/dbraw/zinc/57/97/62/572579762.db2.gz	MQEMQKMOHMGYAN-HBNTYKKESA-N	0	0	194.318	3.428	10	0		AGAERN
CCC[C@H](CC(C)C)C(=O)OCC	308069264	572579944	/nfs/dbraw/zinc/57/99/44/572579944.db2.gz	ODTNAVFIDCURMO-SNVBAGLBSA-N	0	0	186.295	3.012	10	0		AGAERN
CCC[C@@H](CC(C)C)C(=O)OCC	308069263	572580002	/nfs/dbraw/zinc/58/00/02/572580002.db2.gz	ODTNAVFIDCURMO-JTQLQIEISA-N	0	0	186.295	3.012	10	0		AGAERN
O=C(CC/C=C/Cl)c1ccccc1	236009991	572580403	/nfs/dbraw/zinc/58/04/03/572580403.db2.gz	GEJASMRDPVALEQ-WEVVVXLNSA-N	0	0	194.661	3.402	10	0		AGAERN
CCC(C)(C)CC(=O)[C@H]1C[C@@H]2C[C@@H]2C1	713319244	572580478	/nfs/dbraw/zinc/58/04/78/572580478.db2.gz	VRHMQWKJYVPYLP-JGPRNRPPSA-N	0	0	194.318	3.428	10	0		AGAERN
CCOC(=O)[C@H]1CCC[C@@H](C(C)C)C1	114658700	572580948	/nfs/dbraw/zinc/58/09/48/572580948.db2.gz	YZJBVHVMWOWUGP-MNOVXSKESA-N	0	0	198.306	3.012	10	0		AGAERN
CCC(C)(C)CC(=O)c1ccncc1	713346316	572581770	/nfs/dbraw/zinc/58/17/70/572581770.db2.gz	BBWJPCFKMLBQSQ-UHFFFAOYSA-N	0	0	191.274	3.091	10	0		AGAERN
CCCCC[C@H](C(C)=O)/C(C)=C\OC	713319241	572581868	/nfs/dbraw/zinc/58/18/68/572581868.db2.gz	VPSNFWMMROESEM-PRDAAYKISA-N	0	0	198.306	3.322	10	0		AGAERN
Cc1csc(CC(C)C)c1C=O	74300155	572582113	/nfs/dbraw/zinc/58/21/13/572582113.db2.gz	XYNINMFOKSFQOS-UHFFFAOYSA-N	0	0	182.288	3.068	10	0		AGAERN
C=C/C=C/CCCc1ccc(O)cc1	713728016	572582638	/nfs/dbraw/zinc/58/26/38/572582638.db2.gz	YKZCHZWPLJNRHK-ONEGZZNKSA-N	0	0	188.270	3.457	10	0		AGAERN
C[C@@H](C1CCCC1)n1cccc1	69805869	572582648	/nfs/dbraw/zinc/58/26/48/572582648.db2.gz	IIGYVOQATIARBZ-JTQLQIEISA-N	0	0	163.264	3.239	10	0		AGAERN
C[C@H](C1CCCC1)n1cccc1	69805871	572582655	/nfs/dbraw/zinc/58/26/55/572582655.db2.gz	IIGYVOQATIARBZ-SNVBAGLBSA-N	0	0	163.264	3.239	10	0		AGAERN
c1cc(-c2ccncc2)c2[nH]ccc2c1	35051686	572583005	/nfs/dbraw/zinc/58/30/05/572583005.db2.gz	GTJZMWIQOZZSCJ-UHFFFAOYSA-N	0	0	194.237	3.230	10	0		AGAERN
c1cncc(-c2cccc3cc[nH]c23)c1	35051685	572583134	/nfs/dbraw/zinc/58/31/34/572583134.db2.gz	DAGQJULETDDVJT-UHFFFAOYSA-N	0	0	194.237	3.230	10	0		AGAERN
CCCCCCOc1ccccn1	71773008	572584356	/nfs/dbraw/zinc/58/43/56/572584356.db2.gz	VSWLZELVPHUKTR-UHFFFAOYSA-N	0	0	179.263	3.041	10	0		AGAERN
CC/C=C\[C@@H](CC)COC(=O)CCC	713371590	572584382	/nfs/dbraw/zinc/58/43/82/572584382.db2.gz	WEFSDSRCJDIZRJ-GXMKHXEJSA-N	0	0	198.306	3.322	10	0		AGAERN
CC/C=C\[C@H](CC)COC(=O)CCC	713371588	572584393	/nfs/dbraw/zinc/58/43/93/572584393.db2.gz	WEFSDSRCJDIZRJ-DVBBHNHCSA-N	0	0	198.306	3.322	10	0		AGAERN
CCC(C)(C)C[C@@H]1CCC(=O)[C@@H]1C	713368909	572585959	/nfs/dbraw/zinc/58/59/59/572585959.db2.gz	NJWUFOBKQIOIAH-ZJUUUORDSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(C)(C)C[C@H]1CCC(=O)[C@@H]1C	713368790	572586065	/nfs/dbraw/zinc/58/60/65/572586065.db2.gz	NJWUFOBKQIOIAH-NXEZZACHSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(C)(C)C[C@H]1CCC(=O)[C@H]1C	713368908	572586197	/nfs/dbraw/zinc/58/61/97/572586197.db2.gz	NJWUFOBKQIOIAH-VHSXEESVSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)(C)CC(=O)[C@@H]1[C@H]2CCC[C@H]21	713371337	572586276	/nfs/dbraw/zinc/58/62/76/572586276.db2.gz	MBXMNHBNFBOBTE-JZYVYDRUSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(=O)CCCC(C)(C)C(C)C	713368609	572586344	/nfs/dbraw/zinc/58/63/44/572586344.db2.gz	IIPHDTICGULEQH-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
CCC(C)(C)C[C@@H]1CCC(=O)[C@H]1C	713368792	572586499	/nfs/dbraw/zinc/58/64/99/572586499.db2.gz	NJWUFOBKQIOIAH-UWVGGRQHSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)CC(=O)C[C@@H]1CC=CCC1	114745232	572587129	/nfs/dbraw/zinc/58/71/29/572587129.db2.gz	WTTOCLIVCZHRLG-LLVKDONJSA-N	0	0	180.291	3.348	10	0		AGAERN
CCc1occc1C(=O)CC(C)(C)C	713371725	572587345	/nfs/dbraw/zinc/58/73/45/572587345.db2.gz	RHAADSSNAAHYAF-UHFFFAOYSA-N	0	0	194.274	3.461	10	0		AGAERN
CCC[C@@H](C)CC[C@H](CC)CO	114809998	572588164	/nfs/dbraw/zinc/58/81/64/572588164.db2.gz	UJBFEFNJELQOGG-MNOVXSKESA-N	0	0	172.312	3.221	10	0		AGAERN
Cc1cc(F)cc(-c2ccncc2)c1	47217190	572595425	/nfs/dbraw/zinc/59/54/25/572595425.db2.gz	UBWZIKLITDHNAW-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
CCC[C@H](C)CC[C@@H](CC)CO	114809996	572588987	/nfs/dbraw/zinc/58/89/87/572588987.db2.gz	UJBFEFNJELQOGG-WDEREUQCSA-N	0	0	172.312	3.221	10	0		AGAERN
CC(C)Cc1c[nH]cc1CC(C)C	114791330	572589348	/nfs/dbraw/zinc/58/93/48/572589348.db2.gz	SXJVVZCFOUSYGX-UHFFFAOYSA-N	0	0	179.307	3.412	10	0		AGAERN
CCC[C@@H](C)CC[C@@H](CC)CO	114809994	572590018	/nfs/dbraw/zinc/59/00/18/572590018.db2.gz	UJBFEFNJELQOGG-GHMZBOCLSA-N	0	0	172.312	3.221	10	0		AGAERN
COc1ccc(-c2ncccc2C)cc1	114875093	572590595	/nfs/dbraw/zinc/59/05/95/572590595.db2.gz	VSDKLYONASULOQ-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
O=C(CCC1CC1)c1ccc(Cl)o1	236056257	572590880	/nfs/dbraw/zinc/59/08/80/572590880.db2.gz	MBHLXMOJROJLQV-UHFFFAOYSA-N	0	0	198.649	3.306	10	0		AGAERN
N/C(=C\c1ccccc1)c1ccccc1	114832081	572590922	/nfs/dbraw/zinc/59/09/22/572590922.db2.gz	XFLTXYRMEZIEOG-KAMYIIQDSA-N	0	0	195.265	3.143	10	0		AGAERN
CCCCCC[C@@H](O)c1cscn1	87589192	572591580	/nfs/dbraw/zinc/59/15/80/572591580.db2.gz	SEVCFNXKQRUUFM-SNVBAGLBSA-N	0	0	199.319	3.147	10	0		AGAERN
O=C(CCC1CC1)c1ccoc1Cl	236035795	572592200	/nfs/dbraw/zinc/59/22/00/572592200.db2.gz	HVQZXLPIOVAKGU-UHFFFAOYSA-N	0	0	198.649	3.306	10	0		AGAERN
CCC[C@@H](C)C[C@H](O)c1cscn1	87589424	572592461	/nfs/dbraw/zinc/59/24/61/572592461.db2.gz	MRSHFUQXBMYPIG-SCZZXKLOSA-N	0	0	199.319	3.003	10	0		AGAERN
CCC[C@H](C)CC[C@H](CC)CO	114810000	572592815	/nfs/dbraw/zinc/59/28/15/572592815.db2.gz	UJBFEFNJELQOGG-QWRGUYRKSA-N	0	0	172.312	3.221	10	0		AGAERN
CCC[C@@H](C)C[C@@H](O)c1cscn1	87589426	572592904	/nfs/dbraw/zinc/59/29/04/572592904.db2.gz	MRSHFUQXBMYPIG-PSASIEDQSA-N	0	0	199.319	3.003	10	0		AGAERN
Cc1nc(F)ccc1-c1ccccc1	47207676	572593893	/nfs/dbraw/zinc/59/38/93/572593893.db2.gz	SSQXTHOXWAJTLC-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
CCC[C@H](C)C[C@H](O)c1cscn1	87589425	572593896	/nfs/dbraw/zinc/59/38/96/572593896.db2.gz	MRSHFUQXBMYPIG-WPRPVWTQSA-N	0	0	199.319	3.003	10	0		AGAERN
Cc1cncc(-c2ccccc2F)c1	47204877	572594140	/nfs/dbraw/zinc/59/41/40/572594140.db2.gz	SFGSMUCISPCCKP-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
CCC[C@H](C)C[C@@H](O)c1cscn1	87589427	572594164	/nfs/dbraw/zinc/59/41/64/572594164.db2.gz	MRSHFUQXBMYPIG-WCBMZHEXSA-N	0	0	199.319	3.003	10	0		AGAERN
CCCCn1nc(C2CC2)cc1Cl	85019358	572594326	/nfs/dbraw/zinc/59/43/26/572594326.db2.gz	UKXNWTTXGUEMIL-UHFFFAOYSA-N	0	0	198.697	3.214	10	0		AGAERN
CCC[C@H](C)CC(=O)c1cscn1	87589008	572594350	/nfs/dbraw/zinc/59/43/50/572594350.db2.gz	RGRLKKHPVTTXQR-QMMMGPOBSA-N	0	0	197.303	3.152	10	0		AGAERN
Cc1cccc(-c2ccncc2)c1C	47216087	572594465	/nfs/dbraw/zinc/59/44/65/572594465.db2.gz	LZKHKMNJOYVIOR-UHFFFAOYSA-N	0	0	183.254	3.365	10	0		AGAERN
CCC[C@@H](C)CC(=O)c1cscn1	87589007	572594603	/nfs/dbraw/zinc/59/46/03/572594603.db2.gz	RGRLKKHPVTTXQR-MRVPVSSYSA-N	0	0	197.303	3.152	10	0		AGAERN
CCCCCCC(=O)c1cscn1	87588971	572594700	/nfs/dbraw/zinc/59/47/00/572594700.db2.gz	YTXOXUOQUJPPAD-UHFFFAOYSA-N	0	0	197.303	3.296	10	0		AGAERN
Cc1cncc(-c2ccc(F)cc2)c1	47204879	572594779	/nfs/dbraw/zinc/59/47/79/572594779.db2.gz	DBJCOURTFQUTKN-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1cccc(F)c1-c1cccnc1	47217165	572594834	/nfs/dbraw/zinc/59/48/34/572594834.db2.gz	GUYWPKNUYOIWLZ-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1ccc(-c2ccncc2)c(C)c1	47216091	572594853	/nfs/dbraw/zinc/59/48/53/572594853.db2.gz	MHYVVHRXDPLDDB-UHFFFAOYSA-N	0	0	183.254	3.365	10	0		AGAERN
Cc1ccc(-c2ccncc2)cc1C	47216100	572594970	/nfs/dbraw/zinc/59/49/70/572594970.db2.gz	BVZYMQZFHWEQDB-UHFFFAOYSA-N	0	0	183.254	3.365	10	0		AGAERN
CC(C)(C)CC[C@@H](O)c1cscn1	87589168	572595002	/nfs/dbraw/zinc/59/50/02/572595002.db2.gz	SXJRRNNNGYCAHE-SECBINFHSA-N	0	0	199.319	3.003	10	0		AGAERN
Cc1ccc(-c2ccccc2)c(F)n1	47207662	572595155	/nfs/dbraw/zinc/59/51/55/572595155.db2.gz	GKHHNXHCAZEOFV-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
CCCCCC[C@H](O)c1cscn1	87589191	572595165	/nfs/dbraw/zinc/59/51/65/572595165.db2.gz	SEVCFNXKQRUUFM-JTQLQIEISA-N	0	0	199.319	3.147	10	0		AGAERN
CC(C)(C)CC[C@H](O)c1cscn1	87589167	572595246	/nfs/dbraw/zinc/59/52/46/572595246.db2.gz	SXJRRNNNGYCAHE-VIFPVBQESA-N	0	0	199.319	3.003	10	0		AGAERN
CCC(CC)n1ccc(C(F)F)n1	85020412	572595443	/nfs/dbraw/zinc/59/54/43/572595443.db2.gz	USPJAVQAKVLULO-UHFFFAOYSA-N	0	0	188.221	3.182	10	0		AGAERN
CC(=O)C1(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	403351265	572595549	/nfs/dbraw/zinc/59/55/49/572595549.db2.gz	FTTYGSSKNVKRLQ-UTUOFQBUSA-N	0	0	192.302	3.182	10	0		AGAERN
Cc1ccc(-c2ccccc2F)nc1	47204867	572595604	/nfs/dbraw/zinc/59/56/04/572595604.db2.gz	YJYGYKSZQGYXSS-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1ccc(-c2cccnc2)s1	47214319	572595654	/nfs/dbraw/zinc/59/56/54/572595654.db2.gz	IEDOZHHPTYXEBE-UHFFFAOYSA-N	0	0	175.256	3.119	10	0		AGAERN
Cc1ncccc1-c1ccccc1F	47204871	572595667	/nfs/dbraw/zinc/59/56/67/572595667.db2.gz	YWVFMUWJFLODRW-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1cccnc1-c1cccc(F)c1	47204865	572595745	/nfs/dbraw/zinc/59/57/45/572595745.db2.gz	IFKLPKBRKRRMFJ-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1cc(-c2ccccc2)ncc1F	47207674	572595774	/nfs/dbraw/zinc/59/57/74/572595774.db2.gz	YEHGIGUVNAYSAE-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1ccsc1-c1ccncc1	47214316	572595892	/nfs/dbraw/zinc/59/58/92/572595892.db2.gz	RFTIQVBRBXMYFQ-UHFFFAOYSA-N	0	0	175.256	3.119	10	0		AGAERN
Cc1cnc(-c2ccccc2)c(F)c1	47207668	572595925	/nfs/dbraw/zinc/59/59/25/572595925.db2.gz	DXGKDCBCNGZKEW-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1ccc(-c2cccnc2)cc1C	47216098	572595971	/nfs/dbraw/zinc/59/59/71/572595971.db2.gz	LXMROMFUHZZMPJ-UHFFFAOYSA-N	0	0	183.254	3.365	10	0		AGAERN
Cc1ccnc(-c2ccccc2)c1F	47207666	572596096	/nfs/dbraw/zinc/59/60/96/572596096.db2.gz	JRALXLXWURCXRO-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1ccc(F)cc1-c1ccncc1	47217171	572596139	/nfs/dbraw/zinc/59/61/39/572596139.db2.gz	JSYSTOATBOTVLE-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1ccc(F)c(-c2ccccc2)n1	47207670	572596173	/nfs/dbraw/zinc/59/61/73/572596173.db2.gz	FJKOAEARLLXLKJ-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
CCC/C=C\CCSCC	307836329	572596189	/nfs/dbraw/zinc/59/61/89/572596189.db2.gz	PLOVAICLOWBSOO-SREVYHEPSA-N	0	0	158.310	3.486	10	0		AGAERN
Oc1cccc(-c2ccccc2)c1F	47207596	572596450	/nfs/dbraw/zinc/59/64/50/572596450.db2.gz	MOMBUROLFBICCT-UHFFFAOYSA-N	0	0	188.201	3.198	10	0		AGAERN
Cc1cncc(-c2cccc(F)c2)c1	47204878	572596611	/nfs/dbraw/zinc/59/66/11/572596611.db2.gz	BPFBUQITNGLZGN-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
CCCc1ccn(C(CC)CC)n1	85020409	572596668	/nfs/dbraw/zinc/59/66/68/572596668.db2.gz	MQMKIWXXMRAAFW-UHFFFAOYSA-N	0	0	180.295	3.197	10	0		AGAERN
Oc1cc(F)ccc1-c1ccccc1	47207606	572596692	/nfs/dbraw/zinc/59/66/92/572596692.db2.gz	UMYLXBFPUZVEIJ-UHFFFAOYSA-N	0	0	188.201	3.198	10	0		AGAERN
Cc1ccc(F)c(-c2ccncc2)c1	47217186	572596771	/nfs/dbraw/zinc/59/67/71/572596771.db2.gz	XPMRJYVKSPTUGM-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1cccc(F)c1-c1ccncc1	47217167	572596936	/nfs/dbraw/zinc/59/69/36/572596936.db2.gz	GYFGPZGPWWOFIS-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1ccncc1-c1ccc(F)cc1	47204876	572596823	/nfs/dbraw/zinc/59/68/23/572596823.db2.gz	QRLHVURSGSALTA-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1ccc(-c2cccnc2)c(C)c1	47216089	572596955	/nfs/dbraw/zinc/59/69/55/572596955.db2.gz	QDEPWDNZCUGRMP-UHFFFAOYSA-N	0	0	183.254	3.365	10	0		AGAERN
Cc1ncccc1-c1ccc(F)cc1	47204873	572597041	/nfs/dbraw/zinc/59/70/41/572597041.db2.gz	OXKXDAVMPZWWGH-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1ccc(-c2ccccc2F)cn1	47204883	572597047	/nfs/dbraw/zinc/59/70/47/572597047.db2.gz	HGHUUSKEFQEAHJ-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
C/C=C\[C@H](C)c1ccc(OC)cc1O	208920143	572597130	/nfs/dbraw/zinc/59/71/30/572597130.db2.gz	MDSPCZFHYYNHTN-WBSSQXGSSA-N	0	0	192.258	3.080	10	0		AGAERN
Cc1ccc(-c2ccc(F)cc2)cn1	47204884	572597202	/nfs/dbraw/zinc/59/72/02/572597202.db2.gz	YVFVQPKQXIQQNK-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
CC(C)CCn1ccc(C(C)C)n1	85020431	572597244	/nfs/dbraw/zinc/59/72/44/572597244.db2.gz	KUTWXFXYWXXNGR-UHFFFAOYSA-N	0	0	180.295	3.053	10	0		AGAERN
Cc1ccncc1-c1cccc(F)c1	47204875	572597374	/nfs/dbraw/zinc/59/73/74/572597374.db2.gz	IOHGHCSGPFTDDO-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1c(F)cccc1-c1ccncc1	47217179	572597637	/nfs/dbraw/zinc/59/76/37/572597637.db2.gz	YLYJEIZEHYZATO-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1cc(F)cnc1-c1ccccc1	47207672	572597699	/nfs/dbraw/zinc/59/76/99/572597699.db2.gz	ZXSZZKQNVQCQRR-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1c(F)cccc1-c1cccnc1	47217177	572597802	/nfs/dbraw/zinc/59/78/02/572597802.db2.gz	HAUAHZYTEVSIEQ-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1cccc(-c2cccnc2)c1C	47216085	572598123	/nfs/dbraw/zinc/59/81/23/572598123.db2.gz	QIPSOUAPRKVLPW-UHFFFAOYSA-N	0	0	183.254	3.365	10	0		AGAERN
CCCc1ccc(CCC)c(O)c1	115012759	572599916	/nfs/dbraw/zinc/59/99/16/572599916.db2.gz	DUSCCKXALXFNQX-UHFFFAOYSA-N	0	0	178.275	3.297	10	0		AGAERN
CCC[C@H](C)Cc1ccc(O)cc1	115122533	572601674	/nfs/dbraw/zinc/60/16/74/572601674.db2.gz	GDPLXZYHWNAJMJ-JTQLQIEISA-N	0	0	178.275	3.371	10	0		AGAERN
CC[C@H](C)C(=O)C[C@@H]1CC[C@H]2C[C@H]2C1	403633513	572602116	/nfs/dbraw/zinc/60/21/16/572602116.db2.gz	NSROVCCGCNREIU-WHOHXGKFSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)=C[C@H](O)CCCC(C)C	165805836	572602494	/nfs/dbraw/zinc/60/24/94/572602494.db2.gz	DRVQWXSKVINFQE-LLVKDONJSA-N	0	0	170.296	3.140	10	0		AGAERN
C/C=C/[C@@H](C)Cc1ccccc1	115160365	572602584	/nfs/dbraw/zinc/60/25/84/572602584.db2.gz	QUPDOZSLYUQGNE-CGAJTASUSA-N	0	0	160.260	3.441	10	0		AGAERN
CC[C@H](C)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]2C1	403633510	572602950	/nfs/dbraw/zinc/60/29/50/572602950.db2.gz	NSROVCCGCNREIU-QCNOEVLYSA-N	0	0	194.318	3.428	10	0		AGAERN
C/C=C/[C@@H](C)Cc1ccc(O)cc1	115117065	572603087	/nfs/dbraw/zinc/60/30/87/572603087.db2.gz	VXLWDLCKGRVDKT-HMDXOVGESA-N	0	0	176.259	3.147	10	0		AGAERN
CC(F)(F)C1CCCCC1	115080192	572603562	/nfs/dbraw/zinc/60/35/62/572603562.db2.gz	DBVMRQUISHFOFA-UHFFFAOYSA-N	0	0	148.196	3.222	10	0		AGAERN
CCC[C@@H](C)Cc1ccc(O)cc1	115122531	572604167	/nfs/dbraw/zinc/60/41/67/572604167.db2.gz	GDPLXZYHWNAJMJ-SNVBAGLBSA-N	0	0	178.275	3.371	10	0		AGAERN
CC(C)CCC(=O)CCCCF	308072179	572604333	/nfs/dbraw/zinc/60/43/33/572604333.db2.gz	BZBMUQTUOHSJRT-UHFFFAOYSA-N	0	0	174.259	3.132	10	0		AGAERN
C[C@H](O)CC/C=C\C1CCCCC1	115165027	572604505	/nfs/dbraw/zinc/60/45/05/572604505.db2.gz	QWUJZTLWBVYUFX-YAEJEKNGSA-N	0	0	182.307	3.284	10	0		AGAERN
C/C=C/[C@H](C)Cc1ccc(O)cc1	115117067	572604814	/nfs/dbraw/zinc/60/48/14/572604814.db2.gz	VXLWDLCKGRVDKT-FSIBCCDJSA-N	0	0	176.259	3.147	10	0		AGAERN
C[C@@H](O)CC/C=C\C1CCCCC1	115165025	572605058	/nfs/dbraw/zinc/60/50/58/572605058.db2.gz	QWUJZTLWBVYUFX-SDKXAQGSSA-N	0	0	182.307	3.284	10	0		AGAERN
C/C=C/[C@H](C)Cc1ccccc1	115160367	572605571	/nfs/dbraw/zinc/60/55/71/572605571.db2.gz	QUPDOZSLYUQGNE-KTROKBFUSA-N	0	0	160.260	3.441	10	0		AGAERN
CCC[C@H](C)c1cc(O)cc(O)c1	140707366	572606550	/nfs/dbraw/zinc/60/65/50/572606550.db2.gz	JIWIQZGVLUAMNZ-QMMMGPOBSA-N	0	0	180.247	3.001	10	0		AGAERN
C[C@]12CCC=CC[C@H]1C(=O)CCC2	140810051	572606816	/nfs/dbraw/zinc/60/68/16/572606816.db2.gz	MHPTYANYBKNEJL-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1C(C)(C)CC1(C)C	140832687	572606992	/nfs/dbraw/zinc/60/69/92/572606992.db2.gz	DCHVYZZGVBRZNK-UHFFFAOYSA-N	0	0	126.243	3.079	10	0		AGAERN
C[C@]12CCC=CC[C@@H]1C(=O)CCC2	140810237	572607809	/nfs/dbraw/zinc/60/78/09/572607809.db2.gz	MHPTYANYBKNEJL-ZYHUDNBSSA-N	0	0	178.275	3.102	10	0		AGAERN
CCC[C@@H](C)c1cc(O)cc(O)c1	140707184	572608054	/nfs/dbraw/zinc/60/80/54/572608054.db2.gz	JIWIQZGVLUAMNZ-MRVPVSSYSA-N	0	0	180.247	3.001	10	0		AGAERN
CCCCc1ccnc(Cl)c1	196659590	572608130	/nfs/dbraw/zinc/60/81/30/572608130.db2.gz	UOMMPOLYWHUCDC-UHFFFAOYSA-N	0	0	169.655	3.078	10	0		AGAERN
O=C1CCC=CCC12CCCCC2	196659747	572608173	/nfs/dbraw/zinc/60/81/73/572608173.db2.gz	QHJBXECSQXHJPF-UHFFFAOYSA-N	0	0	178.275	3.246	10	0		AGAERN
C=C[Si](C)(C)CNc1ccccc1	196659109	572608573	/nfs/dbraw/zinc/60/85/73/572608573.db2.gz	JYBIIZZDUVDQRR-UHFFFAOYSA-N	0	0	191.350	3.071	10	0		AGAERN
CC(C)C[C@@H](C)CCC[C@H](C)CO	140810149	572608873	/nfs/dbraw/zinc/60/88/73/572608873.db2.gz	HSRLPPVMHQEAQO-RYUDHWBXSA-N	0	0	186.339	3.467	10	0		AGAERN
CC1CCC(=CCl)CC1	140781866	572608991	/nfs/dbraw/zinc/60/89/91/572608991.db2.gz	AVDRUWKNCOVYAP-UHFFFAOYSA-N	0	0	144.645	3.319	10	0		AGAERN
C/C(=C\C(C)C)c1sccc1N	115222033	572609214	/nfs/dbraw/zinc/60/92/14/572609214.db2.gz	YHMXEUKIRKBFIH-SOFGYWHQSA-N	0	0	181.304	3.390	10	0		AGAERN
CC(Cl)(Cl)C(F)(F)Cl	71614756	572609151	/nfs/dbraw/zinc/60/91/51/572609151.db2.gz	QDJDUXFLHIPMOX-UHFFFAOYSA-N	0	0	183.412	3.012	10	0		AGAERN
Cc1cnc2c(Cl)cccc2c1	140808991	572609281	/nfs/dbraw/zinc/60/92/81/572609281.db2.gz	RYBQMBBAJBOCOK-UHFFFAOYSA-N	0	0	177.634	3.197	10	0		AGAERN
C[NH2+][C@@H](CC1CCCC1)c1ccoc1	69946611	572612285	/nfs/dbraw/zinc/61/22/85/572612285.db2.gz	KDWBULFBUYDTQJ-LBPRGKRZSA-N	0	0	193.290	3.120	10	0		AGAERN
O=Cc1occc1C1CCCCC1	74306194	572612434	/nfs/dbraw/zinc/61/24/34/572612434.db2.gz	FRSZOSUFELOWLG-UHFFFAOYSA-N	0	0	178.231	3.140	10	0		AGAERN
Cc1ccc2c(c1)cc1ccccn12	115246124	572612837	/nfs/dbraw/zinc/61/28/37/572612837.db2.gz	WIBHNKCMOAKHNV-UHFFFAOYSA-N	0	0	181.238	3.401	10	0		AGAERN
O=Cc1ccoc1C1CCCCC1	74306193	572612840	/nfs/dbraw/zinc/61/28/40/572612840.db2.gz	HSPUJJGTGHFWOR-UHFFFAOYSA-N	0	0	178.231	3.140	10	0		AGAERN
CCCCC[C@@H](CC)CCCO	166216377	572613808	/nfs/dbraw/zinc/61/38/08/572613808.db2.gz	JUMLAYYVDUXAAB-LLVKDONJSA-N	0	0	172.312	3.365	10	0		AGAERN
C/C=C\C(=O)c1c(F)ccc(C)c1F	379487575	572615339	/nfs/dbraw/zinc/61/53/39/572615339.db2.gz	GZOBVGMEWWQREM-ARJAWSKDSA-N	0	0	196.196	3.032	10	0		AGAERN
CC(=O)/C(C)=C\c1cc(C)ccc1C	379487672	572615867	/nfs/dbraw/zinc/61/58/67/572615867.db2.gz	BUKZWVQCLUEERF-FLIBITNWSA-N	0	0	188.270	3.296	10	0		AGAERN
CC(=O)/C(C)=C\c1ccc(C)c(C)c1	379489087	572616137	/nfs/dbraw/zinc/61/61/37/572616137.db2.gz	WQYFJUBSVHCMLY-FLIBITNWSA-N	0	0	188.270	3.296	10	0		AGAERN
CC(=O)/C(C)=C\c1cc(C)ccc1F	379487765	572616956	/nfs/dbraw/zinc/61/69/56/572616956.db2.gz	FUXGAEFMAISBAS-CLFYSBASSA-N	0	0	192.233	3.126	10	0		AGAERN
C/C=C\[C@](C)(CCCC)[C@@H](C)O	308075864	572617142	/nfs/dbraw/zinc/61/71/42/572617142.db2.gz	DHKKOBAPMNSRDO-JRJMJSEMSA-N	0	0	170.296	3.140	10	0		AGAERN
Clc1ccccc1C1=CCCCN1	689685230	572617216	/nfs/dbraw/zinc/61/72/16/572617216.db2.gz	NUDQZKKDJGBBPN-UHFFFAOYSA-N	0	0	193.677	3.064	10	0		AGAERN
CCCc1nccn1C[C@H](C)CCC	69963965	572617262	/nfs/dbraw/zinc/61/72/62/572617262.db2.gz	QLGVELKDISFTQN-LLVKDONJSA-N	0	0	194.322	3.272	10	0		AGAERN
C/C=C/[C@](C)(CCCC)[C@@H](C)O	308075861	572617418	/nfs/dbraw/zinc/61/74/18/572617418.db2.gz	DHKKOBAPMNSRDO-AQKAQLFCSA-N	0	0	170.296	3.140	10	0		AGAERN
CCC(=O)C/C=C/c1ccccc1	115357926	572617737	/nfs/dbraw/zinc/61/77/37/572617737.db2.gz	BFDYGQDGDWZOOV-RMKNXTFCSA-N	0	0	174.243	3.069	10	0		AGAERN
CC(C)[C@H](O)CC=C1CCCCC1	196641507	572619770	/nfs/dbraw/zinc/61/97/70/572619770.db2.gz	WBJSNLBORTZBDW-GFCCVEGCSA-N	0	0	182.307	3.284	10	0		AGAERN
COc1ccc(C)c(NC(C)(C)C)c1	196650714	572620127	/nfs/dbraw/zinc/62/01/27/572620127.db2.gz	OHMISUPLTWSDSZ-UHFFFAOYSA-N	0	0	193.290	3.214	10	0		AGAERN
C[Si](C)(C)C[C@H](O)c1ccccc1	196645232	572620406	/nfs/dbraw/zinc/62/04/06/572620406.db2.gz	RQYRMSUPLWLFFN-NSHDSACASA-N	0	0	194.350	3.058	10	0		AGAERN
CC(C)[C@@H](O)CC=C1CCCCC1	196641518	572620451	/nfs/dbraw/zinc/62/04/51/572620451.db2.gz	WBJSNLBORTZBDW-LBPRGKRZSA-N	0	0	182.307	3.284	10	0		AGAERN
Cc1occ(C=O)c1-c1ccccc1	196648770	572621345	/nfs/dbraw/zinc/62/13/45/572621345.db2.gz	KCYWTNMWCZTYER-UHFFFAOYSA-N	0	0	186.210	3.068	10	0		AGAERN
C[Si](C)(C)C[C@@H](O)c1ccccc1	196645243	572621456	/nfs/dbraw/zinc/62/14/56/572621456.db2.gz	RQYRMSUPLWLFFN-LLVKDONJSA-N	0	0	194.350	3.058	10	0		AGAERN
COc1ccccc1-c1ncccc1C	115503503	572623251	/nfs/dbraw/zinc/62/32/51/572623251.db2.gz	AOURNSQPYMJJDJ-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
CC(C)CCC1(CO)CCCCC1	85037585	572623342	/nfs/dbraw/zinc/62/33/42/572623342.db2.gz	LBPZGGTYSAIVSR-UHFFFAOYSA-N	0	0	184.323	3.365	10	0		AGAERN
CCCC[C@H](CC)CC1(CO)CC1	85037518	572623402	/nfs/dbraw/zinc/62/34/02/572623402.db2.gz	JIDORQMNOKDIEI-NSHDSACASA-N	0	0	184.323	3.365	10	0		AGAERN
CCC[C@](C)(CO)C[C@H](C)CC	85038021	572623488	/nfs/dbraw/zinc/62/34/88/572623488.db2.gz	GAQKNPRYJIILOL-MNOVXSKESA-N	0	0	172.312	3.221	10	0		AGAERN
CCC[C@](C)(CO)CCC(C)C	85037984	572623610	/nfs/dbraw/zinc/62/36/10/572623610.db2.gz	KETZGFXUVZWLEW-NSHDSACASA-N	0	0	172.312	3.221	10	0		AGAERN
O=Cc1cc(/C=C/c2ccccc2)co1	115643796	572623758	/nfs/dbraw/zinc/62/37/58/572623758.db2.gz	DBPMTQBXPQFOHN-VOTSOKGWSA-N	0	0	198.221	3.263	10	0		AGAERN
CCCC[C@@H](CC)CC1(CO)CC1	85037517	572623941	/nfs/dbraw/zinc/62/39/41/572623941.db2.gz	JIDORQMNOKDIEI-LLVKDONJSA-N	0	0	184.323	3.365	10	0		AGAERN
CCC[C@@H](CO)CCc1cccs1	85040199	572627369	/nfs/dbraw/zinc/62/73/69/572627369.db2.gz	JZZHXIXZXGQODY-SNVBAGLBSA-N	0	0	198.331	3.089	10	0		AGAERN
O=Cc1cc(/C=C\c2ccccc2)co1	115643808	572624348	/nfs/dbraw/zinc/62/43/48/572624348.db2.gz	DBPMTQBXPQFOHN-SREVYHEPSA-N	0	0	198.221	3.263	10	0		AGAERN
CC[C@@H](C)CC1(CO)CCCCC1	85037596	572624363	/nfs/dbraw/zinc/62/43/63/572624363.db2.gz	MYUQCKUTQSASEZ-LLVKDONJSA-N	0	0	184.323	3.365	10	0		AGAERN
CCC[C@@](C)(CO)C[C@H](C)CC	85038024	572624696	/nfs/dbraw/zinc/62/46/96/572624696.db2.gz	GAQKNPRYJIILOL-GHMZBOCLSA-N	0	0	172.312	3.221	10	0		AGAERN
CC(=O)c1ccc(C2=CCC2)cc1	78975618	572625277	/nfs/dbraw/zinc/62/52/77/572625277.db2.gz	QYTVXXGFFFEMOM-UHFFFAOYSA-N	0	0	172.227	3.066	10	0		AGAERN
C/C(=C\C1CCCC1)[C@@H](C)CCO	238366069	572625472	/nfs/dbraw/zinc/62/54/72/572625472.db2.gz	KCZKLDFFRDYBTE-SPQRFVMMSA-N	0	0	182.307	3.141	10	0		AGAERN
CCC[C@@](C)(CO)CCC(C)C	85037986	572625686	/nfs/dbraw/zinc/62/56/86/572625686.db2.gz	KETZGFXUVZWLEW-LLVKDONJSA-N	0	0	172.312	3.221	10	0		AGAERN
CCCCCCC1(CO)CCC1	85036911	572625709	/nfs/dbraw/zinc/62/57/09/572625709.db2.gz	YRJQLXDHNSXHQO-UHFFFAOYSA-N	0	0	170.296	3.119	10	0		AGAERN
CCC[C@@H](C)CC1(CO)CCCC1	85037879	572625842	/nfs/dbraw/zinc/62/58/42/572625842.db2.gz	YVOAYRMCJDXSPY-LLVKDONJSA-N	0	0	184.323	3.365	10	0		AGAERN
CCCC[C@]1(F)CCCCC1=O	196859232	572625861	/nfs/dbraw/zinc/62/58/61/572625861.db2.gz	ZKGCNQTXYYLBPN-JTQLQIEISA-N	0	0	172.243	3.028	10	0		AGAERN
CCCCC1CCC(C)(CO)CC1	85036294	572625896	/nfs/dbraw/zinc/62/58/96/572625896.db2.gz	XYTINHYRDFWSBB-UHFFFAOYSA-N	0	0	184.323	3.365	10	0		AGAERN
CCC[C@@](C)(CO)C[C@@H](C)CC	85038019	572625910	/nfs/dbraw/zinc/62/59/10/572625910.db2.gz	GAQKNPRYJIILOL-WDEREUQCSA-N	0	0	172.312	3.221	10	0		AGAERN
CCCC[C@@]1(F)CCCCC1=O	196859242	572627445	/nfs/dbraw/zinc/62/74/45/572627445.db2.gz	ZKGCNQTXYYLBPN-SNVBAGLBSA-N	0	0	172.243	3.028	10	0		AGAERN
CCC[C@H](C)CC1(CO)CCCC1	85037880	572626119	/nfs/dbraw/zinc/62/61/19/572626119.db2.gz	YVOAYRMCJDXSPY-NSHDSACASA-N	0	0	184.323	3.365	10	0		AGAERN
CCC[C@@H](CO)CCC(C)(C)C	85040315	572627491	/nfs/dbraw/zinc/62/74/91/572627491.db2.gz	PCTPVPNHKTYSCB-SNVBAGLBSA-N	0	0	172.312	3.221	10	0		AGAERN
CCCC[C@@H]1CCCC(=O)[C@@H]1C	196850887	572626563	/nfs/dbraw/zinc/62/65/63/572626563.db2.gz	KLVBKWDZNDTWHB-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCC[C@H]1CCCC(=O)[C@H]1C	196850902	572626614	/nfs/dbraw/zinc/62/66/14/572626614.db2.gz	KLVBKWDZNDTWHB-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@@H](C)C[C@@H](CO)CC(C)C	85040082	572626626	/nfs/dbraw/zinc/62/66/26/572626626.db2.gz	KCTZOWOCKIPMHZ-NEPJUHHUSA-N	0	0	186.339	3.467	10	0		AGAERN
CCCCCc1cc(F)ccc1O	115713092	572626754	/nfs/dbraw/zinc/62/67/54/572626754.db2.gz	NLEIWFBVKHXZAP-UHFFFAOYSA-N	0	0	182.238	3.264	10	0		AGAERN
CCC[C@@](C)(CO)Cc1ccsc1	85038266	572626771	/nfs/dbraw/zinc/62/67/71/572626771.db2.gz	KLSZKFAWPHTSSA-LLVKDONJSA-N	0	0	198.331	3.089	10	0		AGAERN
CC[C@@H](C)C[C@H](CO)CC(C)C	85039854	572626778	/nfs/dbraw/zinc/62/67/78/572626778.db2.gz	RNCGIEXAMARKFU-GHMZBOCLSA-N	0	0	172.312	3.077	10	0		AGAERN
O=C1CCCC2=C(CCC2)CC1	196844511	572627563	/nfs/dbraw/zinc/62/75/63/572627563.db2.gz	HFNPOFGBOSXGNH-UHFFFAOYSA-N	0	0	164.248	3.000	10	0		AGAERN
CCC[C@H](CO)CCc1cccs1	85040197	572626845	/nfs/dbraw/zinc/62/68/45/572626845.db2.gz	JZZHXIXZXGQODY-JTQLQIEISA-N	0	0	198.331	3.089	10	0		AGAERN
CC[C@H](C)CC(CC)(CC)CO	85038527	572626882	/nfs/dbraw/zinc/62/68/82/572626882.db2.gz	GZLUUNHRRSBAQT-JTQLQIEISA-N	0	0	172.312	3.221	10	0		AGAERN
CCC[C@](C)(CO)Cc1ccsc1	85038264	572626988	/nfs/dbraw/zinc/62/69/88/572626988.db2.gz	KLSZKFAWPHTSSA-NSHDSACASA-N	0	0	198.331	3.089	10	0		AGAERN
CCC(CC)(CO)Cc1ccsc1	85038642	572626996	/nfs/dbraw/zinc/62/69/96/572626996.db2.gz	RELITGLXBDUVBO-UHFFFAOYSA-N	0	0	198.331	3.089	10	0		AGAERN
CC(C)C[C@@H](CO)CC1CCCC1	85039887	572627021	/nfs/dbraw/zinc/62/70/21/572627021.db2.gz	JUARHOLDQRDTAV-GFCCVEGCSA-N	0	0	184.323	3.221	10	0		AGAERN
CC[C@](C)(CO)CCc1cccs1	85039335	572627067	/nfs/dbraw/zinc/62/70/67/572627067.db2.gz	CLNMOUFYZRPDDU-NSHDSACASA-N	0	0	198.331	3.089	10	0		AGAERN
CCCC[C@H](CC)C[C@H](C)CO	85039039	572627133	/nfs/dbraw/zinc/62/71/33/572627133.db2.gz	XATXBABKCKYNKR-QWRGUYRKSA-N	0	0	172.312	3.221	10	0		AGAERN
CC(C)CC[C@@H](CO)CC(C)C	85039832	572627141	/nfs/dbraw/zinc/62/71/41/572627141.db2.gz	NHIXTWGEXONZDY-LLVKDONJSA-N	0	0	172.312	3.077	10	0		AGAERN
CCC[C@H](C)C[C@H](CO)CC(C)C	85040078	572627153	/nfs/dbraw/zinc/62/71/53/572627153.db2.gz	KCTZOWOCKIPMHZ-NWDGAFQWSA-N	0	0	186.339	3.467	10	0		AGAERN
CCC[C@@](CC)(CO)c1ccccc1	85038695	572627265	/nfs/dbraw/zinc/62/72/65/572627265.db2.gz	GRYCLLKUPMNZGN-ZDUSSCGKSA-N	0	0	192.302	3.127	10	0		AGAERN
CC[C@](C)(CO)CCC(C)(C)C	85039467	572627312	/nfs/dbraw/zinc/62/73/12/572627312.db2.gz	BXAKGEBNYGKERF-NSHDSACASA-N	0	0	172.312	3.221	10	0		AGAERN
CCC[C@@](C)(CO)CC1CCCC1	85038049	572627354	/nfs/dbraw/zinc/62/73/54/572627354.db2.gz	TYBCWJPMKHZECD-GFCCVEGCSA-N	0	0	184.323	3.365	10	0		AGAERN
CCCC[C@@H](CC)C[C@@H](C)CO	85039033	572627495	/nfs/dbraw/zinc/62/74/95/572627495.db2.gz	XATXBABKCKYNKR-GHMZBOCLSA-N	0	0	172.312	3.221	10	0		AGAERN
CCCCC[C@@](C)(CO)CCC	85038145	572628352	/nfs/dbraw/zinc/62/83/52/572628352.db2.gz	ZHFCKQFHZLVCBF-NSHDSACASA-N	0	0	172.312	3.365	10	0		AGAERN
CCCC[C@H]1CCCC(=O)[C@@H]1C	196850894	572627550	/nfs/dbraw/zinc/62/75/50/572627550.db2.gz	KLVBKWDZNDTWHB-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCCC[C@@H](CO)CC(C)C	85039986	572628271	/nfs/dbraw/zinc/62/82/71/572628271.db2.gz	FPSXRJBJSSFUMQ-LLVKDONJSA-N	0	0	172.312	3.221	10	0		AGAERN
CCC[C@](C)(CO)Cc1cccs1	85038153	572627573	/nfs/dbraw/zinc/62/75/73/572627573.db2.gz	WAGDFSVZNOHHBK-NSHDSACASA-N	0	0	198.331	3.089	10	0		AGAERN
CCC[C@@](C)(CO)Cc1ccccc1	85038105	572627608	/nfs/dbraw/zinc/62/76/08/572627608.db2.gz	OLDOHMFXKAHUKY-CYBMUJFWSA-N	0	0	192.302	3.028	10	0		AGAERN
CC(C)C[C@@H](C)/C=C(\CO)C(C)C	308078529	572627642	/nfs/dbraw/zinc/62/76/42/572627642.db2.gz	YPPCTKCXNIPTEU-LAPSENCUSA-N	0	0	184.323	3.243	10	0		AGAERN
CC[C@@](C)(CO)CCc1cccs1	85039337	572627645	/nfs/dbraw/zinc/62/76/45/572627645.db2.gz	CLNMOUFYZRPDDU-LLVKDONJSA-N	0	0	198.331	3.089	10	0		AGAERN
CC[C@@](C)(CO)CCc1ccsc1	85039722	572627669	/nfs/dbraw/zinc/62/76/69/572627669.db2.gz	OEOZLQDWVQBKHI-LLVKDONJSA-N	0	0	198.331	3.089	10	0		AGAERN
CCC(CC)(CO)CCC(C)C	85038509	572627690	/nfs/dbraw/zinc/62/76/90/572627690.db2.gz	HTKJPGFXEFQGHN-UHFFFAOYSA-N	0	0	172.312	3.221	10	0		AGAERN
CCCCC[C@H](CO)CC(C)C	85039983	572627699	/nfs/dbraw/zinc/62/76/99/572627699.db2.gz	FPSXRJBJSSFUMQ-NSHDSACASA-N	0	0	172.312	3.221	10	0		AGAERN
CCC(CC)(CO)Cc1cccs1	85038596	572627779	/nfs/dbraw/zinc/62/77/79/572627779.db2.gz	IMRCAXJFAQFUTI-UHFFFAOYSA-N	0	0	198.331	3.089	10	0		AGAERN
CC(C)C[C@H](C)/C=C(\CO)C(C)C	308078531	572627789	/nfs/dbraw/zinc/62/77/89/572627789.db2.gz	YPPCTKCXNIPTEU-WBOGTDJTSA-N	0	0	184.323	3.243	10	0		AGAERN
CCC[C@](C)(CO)Cc1ccccc1	85038101	572627854	/nfs/dbraw/zinc/62/78/54/572627854.db2.gz	OLDOHMFXKAHUKY-ZDUSSCGKSA-N	0	0	192.302	3.028	10	0		AGAERN
CCC[C@H](C)C[C@@](C)(CC)CO	85039690	572628291	/nfs/dbraw/zinc/62/82/91/572628291.db2.gz	KAQSAYKRIQEALW-WDEREUQCSA-N	0	0	172.312	3.221	10	0		AGAERN
CCC[C@H](C)C[C@](C)(CC)CO	85039694	572627880	/nfs/dbraw/zinc/62/78/80/572627880.db2.gz	KAQSAYKRIQEALW-QWRGUYRKSA-N	0	0	172.312	3.221	10	0		AGAERN
CCC[C@H](CO)CCC(C)(C)C	85040313	572628327	/nfs/dbraw/zinc/62/83/27/572628327.db2.gz	PCTPVPNHKTYSCB-JTQLQIEISA-N	0	0	172.312	3.221	10	0		AGAERN
CCCC[C@@H](CC)C[C@H](C)CO	85039037	572627999	/nfs/dbraw/zinc/62/79/99/572627999.db2.gz	XATXBABKCKYNKR-WDEREUQCSA-N	0	0	172.312	3.221	10	0		AGAERN
C/C(=C\c1ccccc1)[C@@H](C)CCO	238366093	572628082	/nfs/dbraw/zinc/62/80/82/572628082.db2.gz	AWVMARVOEPNISO-OCUQMRJBSA-N	0	0	190.286	3.108	10	0		AGAERN
CCC[C@](C)(CO)CC1CCCC1	85038047	572628156	/nfs/dbraw/zinc/62/81/56/572628156.db2.gz	TYBCWJPMKHZECD-LBPRGKRZSA-N	0	0	184.323	3.365	10	0		AGAERN
CC(C)C[C@H](CO)CCC(C)(C)C	85039905	572628452	/nfs/dbraw/zinc/62/84/52/572628452.db2.gz	ZEHRBQVLQRWZKB-LLVKDONJSA-N	0	0	186.339	3.467	10	0		AGAERN
CCC(CC)(CO)CC1CCCC1	85038538	572628467	/nfs/dbraw/zinc/62/84/67/572628467.db2.gz	MJCJQHMZILSDFV-UHFFFAOYSA-N	0	0	184.323	3.365	10	0		AGAERN
CC[C@@H](C)CC(CC)(CC)CO	85038524	572628541	/nfs/dbraw/zinc/62/85/41/572628541.db2.gz	GZLUUNHRRSBAQT-SNVBAGLBSA-N	0	0	172.312	3.221	10	0		AGAERN
CC[C@@H]1CCCC[C@H]1[C@H](C)OC(C)=O	251743527	572628562	/nfs/dbraw/zinc/62/85/62/572628562.db2.gz	KYXBLGIDCIPEBL-WCQGTBRESA-N	0	0	198.306	3.154	10	0		AGAERN
CCC(CC)(CO)Cc1ccccc1	85038571	572628671	/nfs/dbraw/zinc/62/86/71/572628671.db2.gz	FUGGHGPAUCFLFL-UHFFFAOYSA-N	0	0	192.302	3.028	10	0		AGAERN
CCCC[C@H](CC)C[C@@H](C)CO	85039035	572628686	/nfs/dbraw/zinc/62/86/86/572628686.db2.gz	XATXBABKCKYNKR-MNOVXSKESA-N	0	0	172.312	3.221	10	0		AGAERN
CCC[C@@](C)(CO)Cc1cccs1	85038154	572628789	/nfs/dbraw/zinc/62/87/89/572628789.db2.gz	WAGDFSVZNOHHBK-LLVKDONJSA-N	0	0	198.331	3.089	10	0		AGAERN
CC(C)C[C@H](CO)CC1CCCC1	85039884	572628863	/nfs/dbraw/zinc/62/88/63/572628863.db2.gz	JUARHOLDQRDTAV-LBPRGKRZSA-N	0	0	184.323	3.221	10	0		AGAERN
CC[C@@](C)(CO)CCC(C)(C)C	85039469	572628903	/nfs/dbraw/zinc/62/89/03/572628903.db2.gz	BXAKGEBNYGKERF-LLVKDONJSA-N	0	0	172.312	3.221	10	0		AGAERN
CCC[C@@H](C)C[C@H](CO)CC(C)C	85040077	572628935	/nfs/dbraw/zinc/62/89/35/572628935.db2.gz	KCTZOWOCKIPMHZ-VXGBXAGGSA-N	0	0	186.339	3.467	10	0		AGAERN
CCC[C@@H](C)C[C@@](C)(CC)CO	85039688	572628951	/nfs/dbraw/zinc/62/89/51/572628951.db2.gz	KAQSAYKRIQEALW-GHMZBOCLSA-N	0	0	172.312	3.221	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1[C@H](C)OC(C)=O	251743523	572628982	/nfs/dbraw/zinc/62/89/82/572628982.db2.gz	KYXBLGIDCIPEBL-MVWJERBFSA-N	0	0	198.306	3.154	10	0		AGAERN
CC[C@](C)(CO)CCc1ccsc1	85039720	572629089	/nfs/dbraw/zinc/62/90/89/572629089.db2.gz	OEOZLQDWVQBKHI-NSHDSACASA-N	0	0	198.331	3.089	10	0		AGAERN
Cc1cc([C@H](C)O)c(C)cc1Cl	70023785	572629102	/nfs/dbraw/zinc/62/91/02/572629102.db2.gz	KBQXGCQUKCECMY-QMMMGPOBSA-N	0	0	184.666	3.010	10	0		AGAERN
CC[C@@H](C)C[C@@H](CO)CC(C)C	85039858	572629105	/nfs/dbraw/zinc/62/91/05/572629105.db2.gz	RNCGIEXAMARKFU-MNOVXSKESA-N	0	0	172.312	3.077	10	0		AGAERN
C/C=C\[C@H](C)c1cccc(C)c1N	204871003	572629286	/nfs/dbraw/zinc/62/92/86/572629286.db2.gz	SONHWHONKMBYOT-RNEXMXFGSA-N	0	0	175.275	3.257	10	0		AGAERN
C/C=C\[C@@H](C)c1cccc(C)c1N	204870984	572629296	/nfs/dbraw/zinc/62/92/96/572629296.db2.gz	SONHWHONKMBYOT-XTULLQBASA-N	0	0	175.275	3.257	10	0		AGAERN
CC(C)C[C@@H](CO)CCC(C)(C)C	85039907	572629327	/nfs/dbraw/zinc/62/93/27/572629327.db2.gz	ZEHRBQVLQRWZKB-NSHDSACASA-N	0	0	186.339	3.467	10	0		AGAERN
CCC[C@@H](C)C[C@](C)(CC)CO	85039692	572629340	/nfs/dbraw/zinc/62/93/40/572629340.db2.gz	KAQSAYKRIQEALW-MNOVXSKESA-N	0	0	172.312	3.221	10	0		AGAERN
CC[C@H](C)C[C@@H](CO)CC(C)C	85039860	572629406	/nfs/dbraw/zinc/62/94/06/572629406.db2.gz	RNCGIEXAMARKFU-QWRGUYRKSA-N	0	0	172.312	3.077	10	0		AGAERN
CCOc1c(C=O)cccc1C(C)C	115668195	572629434	/nfs/dbraw/zinc/62/94/34/572629434.db2.gz	IGYCZOGQBHHNCI-UHFFFAOYSA-N	0	0	192.258	3.021	10	0		AGAERN
CC[C@H](C)C[C@H](CO)CC(C)C	85039856	572629537	/nfs/dbraw/zinc/62/95/37/572629537.db2.gz	RNCGIEXAMARKFU-WDEREUQCSA-N	0	0	172.312	3.077	10	0		AGAERN
CC(C)CC[C@H](CO)CC(C)C	85039831	572629559	/nfs/dbraw/zinc/62/95/59/572629559.db2.gz	NHIXTWGEXONZDY-NSHDSACASA-N	0	0	172.312	3.077	10	0		AGAERN
CCC[C@](CC)(CO)c1ccccc1	85038698	572629629	/nfs/dbraw/zinc/62/96/29/572629629.db2.gz	GRYCLLKUPMNZGN-CYBMUJFWSA-N	0	0	192.302	3.127	10	0		AGAERN
CCCCC[C@](C)(CO)CCC	85038143	572629668	/nfs/dbraw/zinc/62/96/68/572629668.db2.gz	ZHFCKQFHZLVCBF-LLVKDONJSA-N	0	0	172.312	3.365	10	0		AGAERN
CC(C)[C@H](CO)CCC(C)(C)C	85040785	572629986	/nfs/dbraw/zinc/62/99/86/572629986.db2.gz	NYTPXXZKOZAXTE-JTQLQIEISA-N	0	0	172.312	3.077	10	0		AGAERN
CC[C@@H]1CCNc2ccc(C)cc21	74308469	572630267	/nfs/dbraw/zinc/63/02/67/572630267.db2.gz	CJDCRFXAENJVDW-SNVBAGLBSA-N	0	0	175.275	3.304	10	0		AGAERN
CC[C@@H](C)C[C@@H](CO)c1ccccc1	85041612	572630381	/nfs/dbraw/zinc/63/03/81/572630381.db2.gz	BHASAPUUOLLMLR-YPMHNXCESA-N	0	0	192.302	3.199	10	0		AGAERN
C[C@@H](CCO)CCC[Si](C)(C)C	238367180	572630466	/nfs/dbraw/zinc/63/04/66/572630466.db2.gz	OAGHBPWFLTYKQT-SNVBAGLBSA-N	0	0	188.387	3.123	10	0		AGAERN
CC[C@H]1CCNc2ccc(C)cc21	74308471	572630529	/nfs/dbraw/zinc/63/05/29/572630529.db2.gz	CJDCRFXAENJVDW-JTQLQIEISA-N	0	0	175.275	3.304	10	0		AGAERN
CCCCCC[C@@H](CO)C(C)C	85040617	572630532	/nfs/dbraw/zinc/63/05/32/572630532.db2.gz	MFNZQJWFVPQNAB-NSHDSACASA-N	0	0	172.312	3.221	10	0		AGAERN
CC[C@@H](CO)CCCc1ccccc1	85041501	572630839	/nfs/dbraw/zinc/63/08/39/572630839.db2.gz	UQVJKMQTFWALPQ-GFCCVEGCSA-N	0	0	192.302	3.028	10	0		AGAERN
C[C@@H](CCO)CCC1=CCCCC1	238366801	572631159	/nfs/dbraw/zinc/63/11/59/572631159.db2.gz	KHMUXJNRMGAASY-LLVKDONJSA-N	0	0	182.307	3.286	10	0		AGAERN
CCC[C@H](C)C[C@H](CO)C(C)C	85041025	572631204	/nfs/dbraw/zinc/63/12/04/572631204.db2.gz	CGUUGXPMGLXNTQ-WDEREUQCSA-N	0	0	172.312	3.077	10	0		AGAERN
CC(C)[C@@H](CO)CCC(C)(C)C	85040786	572631313	/nfs/dbraw/zinc/63/13/13/572631313.db2.gz	NYTPXXZKOZAXTE-SNVBAGLBSA-N	0	0	172.312	3.077	10	0		AGAERN
CCC[C@H](CO)CCc1ccsc1	85040568	572631394	/nfs/dbraw/zinc/63/13/94/572631394.db2.gz	WKLGANWRPMXEKR-JTQLQIEISA-N	0	0	198.331	3.089	10	0		AGAERN
CCCCC[C@H](CO)c1ccccc1	85041651	572631443	/nfs/dbraw/zinc/63/14/43/572631443.db2.gz	DGCRIAQKEPEWCC-CYBMUJFWSA-N	0	0	192.302	3.343	10	0		AGAERN
CCC[C@@H](CO)CCc1ccsc1	85040569	572631536	/nfs/dbraw/zinc/63/15/36/572631536.db2.gz	WKLGANWRPMXEKR-SNVBAGLBSA-N	0	0	198.331	3.089	10	0		AGAERN
CCC[C@@H](C)C[C@@H](CO)C(C)C	85041019	572631579	/nfs/dbraw/zinc/63/15/79/572631579.db2.gz	CGUUGXPMGLXNTQ-MNOVXSKESA-N	0	0	172.312	3.077	10	0		AGAERN
CC[C@@H](C)C[C@H](CO)c1ccccc1	85041616	572631866	/nfs/dbraw/zinc/63/18/66/572631866.db2.gz	BHASAPUUOLLMLR-DGCLKSJQSA-N	0	0	192.302	3.199	10	0		AGAERN
CC[C@@H](CCO)CCC=C(C)C	115799111	572632045	/nfs/dbraw/zinc/63/20/45/572632045.db2.gz	SWUGJJVLWQKYSW-LLVKDONJSA-N	0	0	170.296	3.141	10	0		AGAERN
CC[C@H](CO)CCCc1ccccc1	85041499	572632230	/nfs/dbraw/zinc/63/22/30/572632230.db2.gz	UQVJKMQTFWALPQ-LBPRGKRZSA-N	0	0	192.302	3.028	10	0		AGAERN
CC[C@H](C)C[C@H](CO)c1ccccc1	85041618	572632926	/nfs/dbraw/zinc/63/29/26/572632926.db2.gz	BHASAPUUOLLMLR-WCQYABFASA-N	0	0	192.302	3.199	10	0		AGAERN
Cc1cc(C)cc(-c2nccs2)c1	166574037	572632519	/nfs/dbraw/zinc/63/25/19/572632519.db2.gz	GFNVVSVUVKHASZ-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
CC[C@H](CCO)CCC=C(C)C	115799114	572632757	/nfs/dbraw/zinc/63/27/57/572632757.db2.gz	SWUGJJVLWQKYSW-NSHDSACASA-N	0	0	170.296	3.141	10	0		AGAERN
CCCCCC[C@H](CO)C(C)C	85040619	572632791	/nfs/dbraw/zinc/63/27/91/572632791.db2.gz	MFNZQJWFVPQNAB-LLVKDONJSA-N	0	0	172.312	3.221	10	0		AGAERN
CCC[C@H](C)C[C@@H](CO)CCC	85040540	572632823	/nfs/dbraw/zinc/63/28/23/572632823.db2.gz	BGTSFYDNOSNCJP-QWRGUYRKSA-N	0	0	172.312	3.221	10	0		AGAERN
CCCCC[C@@H](CO)c1ccccc1	85041649	572632833	/nfs/dbraw/zinc/63/28/33/572632833.db2.gz	DGCRIAQKEPEWCC-ZDUSSCGKSA-N	0	0	192.302	3.343	10	0		AGAERN
CCC[C@@H](C)C[C@H](CO)CCC	85040535	572633307	/nfs/dbraw/zinc/63/33/07/572633307.db2.gz	BGTSFYDNOSNCJP-GHMZBOCLSA-N	0	0	172.312	3.221	10	0		AGAERN
CCC[C@@H](C)C[C@H](CO)C(C)C	85041023	572633515	/nfs/dbraw/zinc/63/35/15/572633515.db2.gz	CGUUGXPMGLXNTQ-GHMZBOCLSA-N	0	0	172.312	3.077	10	0		AGAERN
CCC[C@H](C)C[C@H](CO)CCC	85040537	572633539	/nfs/dbraw/zinc/63/35/39/572633539.db2.gz	BGTSFYDNOSNCJP-WDEREUQCSA-N	0	0	172.312	3.221	10	0		AGAERN
OCCCCCCCc1cccs1	115821623	572633588	/nfs/dbraw/zinc/63/35/88/572633588.db2.gz	GJZUVXCBPZAXDD-UHFFFAOYSA-N	0	0	198.331	3.233	10	0		AGAERN
CCC[C@H](CO)C[C@H](C)CCC	85040538	572633594	/nfs/dbraw/zinc/63/35/94/572633594.db2.gz	BGTSFYDNOSNCJP-MNOVXSKESA-N	0	0	172.312	3.221	10	0		AGAERN
CCC[C@H](C)C[C@@H](CO)C(C)C	85041021	572633604	/nfs/dbraw/zinc/63/36/04/572633604.db2.gz	CGUUGXPMGLXNTQ-QWRGUYRKSA-N	0	0	172.312	3.077	10	0		AGAERN
CC[C@H](C)C[C@@H](CO)c1ccccc1	85041613	572633629	/nfs/dbraw/zinc/63/36/29/572633629.db2.gz	BHASAPUUOLLMLR-AAEUAGOBSA-N	0	0	192.302	3.199	10	0		AGAERN
C[C@@H]1CCC[C@@]1(O)C1=CCCCCC1	235274639	572633703	/nfs/dbraw/zinc/63/37/03/572633703.db2.gz	OLXZYKJDJPPYGR-YPMHNXCESA-N	0	0	194.318	3.428	10	0		AGAERN
Cc1ccc(/C=C/C[C@@H](C)CO)cc1	238368975	572633715	/nfs/dbraw/zinc/63/37/15/572633715.db2.gz	VLACVBJRWGAENF-OGOUPESXSA-N	0	0	190.286	3.027	10	0		AGAERN
C[C@@H]1CC(C)(C)C[C@@]1(O)C1CCCC1	235272757	572634391	/nfs/dbraw/zinc/63/43/91/572634391.db2.gz	FJEQPKQEEVLUKG-MFKMUULPSA-N	0	0	196.334	3.364	10	0		AGAERN
C=C=C[C@H](O)CC[C@H](C)CC=C(C)C	238372699	572634499	/nfs/dbraw/zinc/63/44/99/572634499.db2.gz	QRXGCDNACZBKDL-OLZOCXBDSA-N	0	0	194.318	3.461	10	0		AGAERN
C[C@@H]1CC(C)(C)C[C@@]1(O)C(C)(C)C	235271299	572634536	/nfs/dbraw/zinc/63/45/36/572634536.db2.gz	DPVZARAOQANMLQ-SKDRFNHKSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@@H]1CC(C)(C)C[C@@]1(O)CCC1CC1	235273637	572635309	/nfs/dbraw/zinc/63/53/09/572635309.db2.gz	REEXRVIQWQBKPN-MFKMUULPSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)=CCC[C@H](C)[C@@H](C)CCO	238369288	572634834	/nfs/dbraw/zinc/63/48/34/572634834.db2.gz	RFVHFXBHIFSDGL-RYUDHWBXSA-N	0	0	184.323	3.387	10	0		AGAERN
C[C@@H]1CCC[C@@]1(O)C1=CCCCC1	235274608	572634872	/nfs/dbraw/zinc/63/48/72/572634872.db2.gz	JJRPIUUTASUYLE-PWSUYJOCSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(C)=CCC[C@@H](C)[C@@H](C)CCO	238369943	572635990	/nfs/dbraw/zinc/63/59/90/572635990.db2.gz	RFVHFXBHIFSDGL-NEPJUHHUSA-N	0	0	184.323	3.387	10	0		AGAERN
CC(C)=C[C@]1(O)CC(C)(C)C[C@H]1C	235273033	572636634	/nfs/dbraw/zinc/63/66/34/572636634.db2.gz	CADHCMDILZDJMA-PWSUYJOCSA-N	0	0	182.307	3.140	10	0		AGAERN
Cc1ccccc1/C=C\Cl	83296262	572636823	/nfs/dbraw/zinc/63/68/23/572636823.db2.gz	OONFBWSLAUTBDU-SREVYHEPSA-N	0	0	152.624	3.205	10	0		AGAERN
CCC(CC)c1ncc(C(C)=O)s1	54159221	572638134	/nfs/dbraw/zinc/63/81/34/572638134.db2.gz	HOFWDKDMTIARNG-UHFFFAOYSA-N	0	0	197.303	3.249	10	0		AGAERN
C/C=C/CCc1c(F)cccc1F	714521034	572638343	/nfs/dbraw/zinc/63/83/43/572638343.db2.gz	TWHOIHSNXPIICV-NSCUHMNNSA-N	0	0	182.213	3.474	10	0		AGAERN
C/C=C/CCNc1ccc(OC)cc1	238374070	572640500	/nfs/dbraw/zinc/64/05/00/572640500.db2.gz	YBSCXQALFFDXQD-ONEGZZNKSA-N	0	0	191.274	3.073	10	0		AGAERN
C=C=C[C@@H](O)CC[C@H](C)CC=C(C)C	238374068	572641166	/nfs/dbraw/zinc/64/11/66/572641166.db2.gz	QRXGCDNACZBKDL-CHWSQXEVSA-N	0	0	194.318	3.461	10	0		AGAERN
CCCCC[C@H](C)C(=O)C(C)C	87649348	572642950	/nfs/dbraw/zinc/64/29/50/572642950.db2.gz	KIUSGKMLWBHZFK-JTQLQIEISA-N	0	0	170.296	3.428	10	0		AGAERN
CCC[C@@](C)(O)CCc1cccs1	87648702	572642952	/nfs/dbraw/zinc/64/29/52/572642952.db2.gz	LTIGOFWXGUJYDK-LLVKDONJSA-N	0	0	198.331	3.232	10	0		AGAERN
CCCCC[C@H](C)[C@H](O)C(C)C	87649372	572643001	/nfs/dbraw/zinc/64/30/01/572643001.db2.gz	CSSLOFSUPDQXJV-WDEREUQCSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@@](C)(O)CCc1ccccc1	87648490	572643227	/nfs/dbraw/zinc/64/32/27/572643227.db2.gz	ZQOUPBRZCCTNRY-CYBMUJFWSA-N	0	0	192.302	3.170	10	0		AGAERN
CCC[C@](C)(O)CC1CCCC1	87648507	572643312	/nfs/dbraw/zinc/64/33/12/572643312.db2.gz	DFZCXZDVHGCSAF-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
CCC[C@H](C)C[C@@](C)(O)CCC	87648790	572643422	/nfs/dbraw/zinc/64/34/22/572643422.db2.gz	FOQCXJMUCWEWAH-QWRGUYRKSA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@@](C)(O)CC1CCCC1	87648508	572643488	/nfs/dbraw/zinc/64/34/88/572643488.db2.gz	DFZCXZDVHGCSAF-LLVKDONJSA-N	0	0	170.296	3.118	10	0		AGAERN
CCCCC[C@](C)(O)c1ccoc1	87649521	572643551	/nfs/dbraw/zinc/64/35/51/572643551.db2.gz	DZQTUOLIKCCBTI-NSHDSACASA-N	0	0	182.263	3.067	10	0		AGAERN
CCC[C@](C)(O)CCc1ccccc1	87648489	572643570	/nfs/dbraw/zinc/64/35/70/572643570.db2.gz	ZQOUPBRZCCTNRY-ZDUSSCGKSA-N	0	0	192.302	3.170	10	0		AGAERN
CCCCC[C@@](C)(O)c1ccco1	87649507	572643639	/nfs/dbraw/zinc/64/36/39/572643639.db2.gz	XQVVWCWPEXPOMB-LLVKDONJSA-N	0	0	182.263	3.067	10	0		AGAERN
CC(=O)c1[nH]c(-c2ccccc2)cc1C	214178206	572643640	/nfs/dbraw/zinc/64/36/40/572643640.db2.gz	SMUSOFSZHJTEJU-UHFFFAOYSA-N	0	0	199.253	3.193	10	0		AGAERN
CCCCC[C@@H](C)[C@H](O)C(C)C	87649371	572643651	/nfs/dbraw/zinc/64/36/51/572643651.db2.gz	CSSLOFSUPDQXJV-GHMZBOCLSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@](C)(O)Cc1cccc(C)c1	87648797	572643741	/nfs/dbraw/zinc/64/37/41/572643741.db2.gz	UOJWZASHXPHRJR-ZDUSSCGKSA-N	0	0	192.302	3.089	10	0		AGAERN
CCC[C@@H](C)C[C@@](C)(O)CCC	87648789	572643832	/nfs/dbraw/zinc/64/38/32/572643832.db2.gz	FOQCXJMUCWEWAH-MNOVXSKESA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@](C)(O)Cc1ccc(C)cc1	87648491	572643963	/nfs/dbraw/zinc/64/39/63/572643963.db2.gz	DZQWXUGLIPCXIR-ZDUSSCGKSA-N	0	0	192.302	3.089	10	0		AGAERN
CCC[C@](C)(O)CCC(C)(C)C	87648457	572644023	/nfs/dbraw/zinc/64/40/23/572644023.db2.gz	SJCCDQLGFZVQJX-NSHDSACASA-N	0	0	172.312	3.364	10	0		AGAERN
CCCCC[C@](C)(O)c1ccco1	87649506	572644157	/nfs/dbraw/zinc/64/41/57/572644157.db2.gz	XQVVWCWPEXPOMB-NSHDSACASA-N	0	0	182.263	3.067	10	0		AGAERN
CCC[C@](C)(O)CCc1ccsc1	87648707	572644198	/nfs/dbraw/zinc/64/41/98/572644198.db2.gz	BCVDHECKQSUTRS-NSHDSACASA-N	0	0	198.331	3.232	10	0		AGAERN
CCCCC[C@@](C)(O)c1ccoc1	87649522	572644372	/nfs/dbraw/zinc/64/43/72/572644372.db2.gz	DZQTUOLIKCCBTI-LLVKDONJSA-N	0	0	182.263	3.067	10	0		AGAERN
CCCCC[C@@](C)(O)C(C)(C)C	87649530	572644715	/nfs/dbraw/zinc/64/47/15/572644715.db2.gz	UYEGWBSBSVOTIA-LLVKDONJSA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@](C)(O)CCc1cccs1	87648701	572644829	/nfs/dbraw/zinc/64/48/29/572644829.db2.gz	LTIGOFWXGUJYDK-NSHDSACASA-N	0	0	198.331	3.232	10	0		AGAERN
CCC[C@@](C)(O)Cc1ccccc1C	87648832	572644962	/nfs/dbraw/zinc/64/49/62/572644962.db2.gz	CJFJSMMTFLBKHB-CYBMUJFWSA-N	0	0	192.302	3.089	10	0		AGAERN
CCC[C@@](C)(O)CCc1ccsc1	87648708	572645160	/nfs/dbraw/zinc/64/51/60/572645160.db2.gz	BCVDHECKQSUTRS-LLVKDONJSA-N	0	0	198.331	3.232	10	0		AGAERN
CCCCC[C@@H](C)[C@@H](O)C(C)C	87649373	572645186	/nfs/dbraw/zinc/64/51/86/572645186.db2.gz	CSSLOFSUPDQXJV-MNOVXSKESA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@H](C)C[C@](C)(O)CCC	87648788	572645256	/nfs/dbraw/zinc/64/52/56/572645256.db2.gz	FOQCXJMUCWEWAH-WDEREUQCSA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@@H](C)C[C@](C)(O)CCC	87648787	572645417	/nfs/dbraw/zinc/64/54/17/572645417.db2.gz	FOQCXJMUCWEWAH-GHMZBOCLSA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@](C)(O)Cc1ccccc1C	87648831	572645460	/nfs/dbraw/zinc/64/54/60/572645460.db2.gz	CJFJSMMTFLBKHB-ZDUSSCGKSA-N	0	0	192.302	3.089	10	0		AGAERN
CCCCC[C@@](C)(O)C=C(C)C	87649528	572645480	/nfs/dbraw/zinc/64/54/80/572645480.db2.gz	RDHDVABXMZPDEV-LLVKDONJSA-N	0	0	170.296	3.284	10	0		AGAERN
CCC[C@@](C)(O)Cc1ccc(C)cc1	87648492	572645505	/nfs/dbraw/zinc/64/55/05/572645505.db2.gz	DZQWXUGLIPCXIR-CYBMUJFWSA-N	0	0	192.302	3.089	10	0		AGAERN
CCCCC[C@](C)(O)C(C)(C)C	87649529	572645670	/nfs/dbraw/zinc/64/56/70/572645670.db2.gz	UYEGWBSBSVOTIA-NSHDSACASA-N	0	0	172.312	3.364	10	0		AGAERN
CCCCC[C@@H](C)C(=O)C(C)C	87649347	572645855	/nfs/dbraw/zinc/64/58/55/572645855.db2.gz	KIUSGKMLWBHZFK-SNVBAGLBSA-N	0	0	170.296	3.428	10	0		AGAERN
C/C(=C\[C@@H](C)O)CCCC(F)(F)F	308085384	572645859	/nfs/dbraw/zinc/64/58/59/572645859.db2.gz	YUEWCBDVRZLVOZ-HYDMIIDASA-N	0	0	196.212	3.046	10	0		AGAERN
CCC[C@@](C)(O)CCC(C)(C)C	87648458	572645922	/nfs/dbraw/zinc/64/59/22/572645922.db2.gz	SJCCDQLGFZVQJX-LLVKDONJSA-N	0	0	172.312	3.364	10	0		AGAERN
CCCCC[C@H](C)[C@@H](O)C(C)C	87649374	572645983	/nfs/dbraw/zinc/64/59/83/572645983.db2.gz	CSSLOFSUPDQXJV-QWRGUYRKSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCC[C@](C)(O)C=C(C)C	87649527	572646058	/nfs/dbraw/zinc/64/60/58/572646058.db2.gz	RDHDVABXMZPDEV-NSHDSACASA-N	0	0	170.296	3.284	10	0		AGAERN
CCC[C@@](C)(O)Cc1cccc(C)c1	87648798	572646243	/nfs/dbraw/zinc/64/62/43/572646243.db2.gz	UOJWZASHXPHRJR-CYBMUJFWSA-N	0	0	192.302	3.089	10	0		AGAERN
CC[C@@H](F)CSCCC1CC1	307854379	572646345	/nfs/dbraw/zinc/64/63/45/572646345.db2.gz	CSAUOOPRQWXPED-SECBINFHSA-N	0	0	176.300	3.268	10	0		AGAERN
C=C/C=C\CC(=O)CCCCC	209233764	572646354	/nfs/dbraw/zinc/64/63/54/572646354.db2.gz	PFKZBFRSBKIHSQ-ALCCZGGFSA-N	0	0	166.264	3.268	10	0		AGAERN
CC[C@H](F)CSCCC1CC1	307854383	572646804	/nfs/dbraw/zinc/64/68/04/572646804.db2.gz	CSAUOOPRQWXPED-VIFPVBQESA-N	0	0	176.300	3.268	10	0		AGAERN
C/C(=C\[C@H](C)O)CCCC(F)(F)F	308085383	572647765	/nfs/dbraw/zinc/64/77/65/572647765.db2.gz	YUEWCBDVRZLVOZ-CZEYKFRCSA-N	0	0	196.212	3.046	10	0		AGAERN
CCCCC[C@@](C)(NC)C(F)(F)F	87649736	572648257	/nfs/dbraw/zinc/64/82/57/572648257.db2.gz	NGZKFBSPWHXKES-MRVPVSSYSA-N	0	0	197.244	3.107	10	0		AGAERN
CCN(C/C(Cl)=C\Cl)C(C)C	307856283	572648612	/nfs/dbraw/zinc/64/86/12/572648612.db2.gz	DNHYLWYHOYXBAS-VMPITWQZSA-N	0	0	196.121	3.036	10	0		AGAERN
CCCCC[C@](C)(NC)C(F)(F)F	87649735	572648818	/nfs/dbraw/zinc/64/88/18/572648818.db2.gz	NGZKFBSPWHXKES-QMMMGPOBSA-N	0	0	197.244	3.107	10	0		AGAERN
C[C@H](O)c1ccc(C2=CCCC2)cc1	196907299	572649964	/nfs/dbraw/zinc/64/99/64/572649964.db2.gz	WVEUGJGRFFWSSX-JTQLQIEISA-N	0	0	188.270	3.307	10	0		AGAERN
OCc1ccc(C2=CCCCC2)cc1	196907077	572650172	/nfs/dbraw/zinc/65/01/72/572650172.db2.gz	LXBKGRWTJRRINE-UHFFFAOYSA-N	0	0	188.270	3.136	10	0		AGAERN
Cc1cc(C)c2c(c1)[C@]1(CN2)C[C@H]1C	235280937	572650509	/nfs/dbraw/zinc/65/05/09/572650509.db2.gz	QGTDYXVIDLNHHW-MFKMUULPSA-N	0	0	187.286	3.007	10	0		AGAERN
CCCc1ccc(C)c(C(C)=O)c1	196916638	572650935	/nfs/dbraw/zinc/65/09/35/572650935.db2.gz	ILIVLOYZGMLWRS-UHFFFAOYSA-N	0	0	176.259	3.150	10	0		AGAERN
COc1ccc2[nH]c(C)c(C)c2c1C	196911086	572651369	/nfs/dbraw/zinc/65/13/69/572651369.db2.gz	NSVDHVJDZDCBJN-UHFFFAOYSA-N	0	0	189.258	3.102	10	0		AGAERN
CCCCCc1cc(F)ccc1N	117369806	572651776	/nfs/dbraw/zinc/65/17/76/572651776.db2.gz	QSEKVBUNWWEZND-UHFFFAOYSA-N	0	0	181.254	3.141	10	0		AGAERN
CC(C)(C)/C=C\c1ccc[nH]1	307857590	572651624	/nfs/dbraw/zinc/65/16/24/572651624.db2.gz	GIHSKVAHJVRQKX-SREVYHEPSA-N	0	0	149.237	3.074	10	0		AGAERN
CCC(C)(C)[C@@](O)(CC)C(C)C	197993079	572653773	/nfs/dbraw/zinc/65/37/73/572653773.db2.gz	AXVAFGGBMYTLMK-LLVKDONJSA-N	0	0	172.312	3.220	10	0		AGAERN
C[C@@H](F)CCCCCCCCCO	238381061	572653350	/nfs/dbraw/zinc/65/33/50/572653350.db2.gz	QWCVUJIEPIVTTO-LLVKDONJSA-N	0	0	190.302	3.458	10	0		AGAERN
C[C@@H](O)c1ccc(C2=CCCC2)cc1	196907309	572653810	/nfs/dbraw/zinc/65/38/10/572653810.db2.gz	WVEUGJGRFFWSSX-SNVBAGLBSA-N	0	0	188.270	3.307	10	0		AGAERN
CC[C@@H](F)CSCC=C(C)C	307861076	572654650	/nfs/dbraw/zinc/65/46/50/572654650.db2.gz	GWSVBFBBYVJLNU-SECBINFHSA-N	0	0	176.300	3.434	10	0		AGAERN
CC[C@H](F)CSCC=C(C)C	307861077	572654753	/nfs/dbraw/zinc/65/47/53/572654753.db2.gz	GWSVBFBBYVJLNU-VIFPVBQESA-N	0	0	176.300	3.434	10	0		AGAERN
C[C@@H](F)CCCCCCCCO	238381080	572656581	/nfs/dbraw/zinc/65/65/81/572656581.db2.gz	WMODGXSAGFYCBW-SNVBAGLBSA-N	0	0	176.275	3.067	10	0		AGAERN
CC(C)=CCC/C(C)=C\[C@@H](C)CO	238381857	572656674	/nfs/dbraw/zinc/65/66/74/572656674.db2.gz	NEOQNZPYSMPEGF-NXIHDVOMSA-N	0	0	182.307	3.308	10	0		AGAERN
CC(C)c1ccc(CO)c(C(C)C)c1	70187373	572657063	/nfs/dbraw/zinc/65/70/63/572657063.db2.gz	SNPYOEJIGPVYBU-UHFFFAOYSA-N	0	0	192.302	3.426	10	0		AGAERN
CC(C)(C)SCCc1cccnc1	197995542	572657467	/nfs/dbraw/zinc/65/74/67/572657467.db2.gz	DIPWBYREBQFDON-UHFFFAOYSA-N	0	0	195.331	3.156	10	0		AGAERN
CC[C@@H](C)CCCCC(C)=O	65748476	572657642	/nfs/dbraw/zinc/65/76/42/572657642.db2.gz	VSSQYWOUMIDVAF-SECBINFHSA-N	0	0	156.269	3.182	10	0		AGAERN
CC/C=C(/CCC(C)=O)SC	307858416	572658874	/nfs/dbraw/zinc/65/88/74/572658874.db2.gz	JSRIPKDVCSPNQX-UITAMQMPSA-N	0	0	172.293	3.013	10	0		AGAERN
CS/C=C(\C)CCCC(C)=O	307859671	572659146	/nfs/dbraw/zinc/65/91/46/572659146.db2.gz	LDPLNVDSQVGLGO-BQYQJAHWSA-N	0	0	172.293	3.013	10	0		AGAERN
Cc1cc2nc(C(F)F)[nH]c2cc1C	48356689	572660146	/nfs/dbraw/zinc/66/01/46/572660146.db2.gz	FNOJXKWDJURZSN-UHFFFAOYSA-N	0	0	196.200	3.117	10	0		AGAERN
CCC[C@H](CC(C)C)c1cc(N)on1	308087306	572660895	/nfs/dbraw/zinc/66/08/95/572660895.db2.gz	XSJQZUOYCLMARR-SECBINFHSA-N	0	0	196.294	3.187	10	0		AGAERN
CCC[C@@H](CC(C)C)c1cc(N)on1	308087307	572662625	/nfs/dbraw/zinc/66/26/25/572662625.db2.gz	XSJQZUOYCLMARR-VIFPVBQESA-N	0	0	196.294	3.187	10	0		AGAERN
CCCCC(=O)[C@@H]1CCCCS1	87680512	572663999	/nfs/dbraw/zinc/66/39/99/572663999.db2.gz	NQTOGYCKKCREBD-JTQLQIEISA-N	0	0	186.320	3.031	10	0		AGAERN
CS[C@H]1CCC[C@@H](n2cccc2)C1	235188964	572664725	/nfs/dbraw/zinc/66/47/25/572664725.db2.gz	LTUZOKDEZYIFRJ-MNOVXSKESA-N	0	0	195.331	3.335	10	0		AGAERN
CCCCC(=O)[C@H]1CCCCS1	87680513	572664964	/nfs/dbraw/zinc/66/49/64/572664964.db2.gz	NQTOGYCKKCREBD-SNVBAGLBSA-N	0	0	186.320	3.031	10	0		AGAERN
CC1=C[C@H](C)C[C@@H]([C@@H](O)C(C)(C)C)C1	235291543	572666028	/nfs/dbraw/zinc/66/60/28/572666028.db2.gz	VDTDPWIUYKZHQI-MVWJERBFSA-N	0	0	196.334	3.386	10	0		AGAERN
Cc1cc([C@H](O)C(C)C)c(C)s1	48453739	572667545	/nfs/dbraw/zinc/66/75/45/572667545.db2.gz	RYXDDLPULUOUOJ-SNVBAGLBSA-N	0	0	184.304	3.054	10	0		AGAERN
CCCCc1nc2c(F)cccc2[nH]1	70235119	572668343	/nfs/dbraw/zinc/66/83/43/572668343.db2.gz	YSLIIBZMVMPUSM-UHFFFAOYSA-N	0	0	192.237	3.045	10	0		AGAERN
C/C=C/COc1ccc(C)cc1C	70234607	572668396	/nfs/dbraw/zinc/66/83/96/572668396.db2.gz	GKCXIRQZADDLES-SNAWJCMRSA-N	0	0	176.259	3.258	10	0		AGAERN
CCc1ccccc1OC(C)C	70233508	572669132	/nfs/dbraw/zinc/66/91/32/572669132.db2.gz	RYVOQHVPRLDWIL-UHFFFAOYSA-N	0	0	164.248	3.036	10	0		AGAERN
CCCC/C=C/c1occc1C=O	308089040	572670835	/nfs/dbraw/zinc/67/08/35/572670835.db2.gz	RKPFJVVJWJNXHV-AATRIKPKSA-N	0	0	178.231	3.296	10	0		AGAERN
C[C@@]1(C/C=C\Cl)CCCCC1=O	307866669	572677632	/nfs/dbraw/zinc/67/76/32/572677632.db2.gz	NSNIFLSUDBUZKF-PENHIPQLSA-N	0	0	186.682	3.278	10	0		AGAERN
C[C@]1(C/C=C\Cl)CCCCC1=O	307866666	572677948	/nfs/dbraw/zinc/67/79/48/572677948.db2.gz	NSNIFLSUDBUZKF-NAXAJZLFSA-N	0	0	186.682	3.278	10	0		AGAERN
C/C=C\CCNc1nc(CC)cs1	308093634	572678597	/nfs/dbraw/zinc/67/85/97/572678597.db2.gz	WHGISVAVOSMCEQ-HYXAFXHYSA-N	0	0	196.319	3.084	10	0		AGAERN
O=C(CCC1CC1)[C@H]1CCCCS1	87701829	572678605	/nfs/dbraw/zinc/67/86/05/572678605.db2.gz	PDZQKHRHEZWJCY-LLVKDONJSA-N	0	0	198.331	3.031	10	0		AGAERN
CC(C)=C/C=C/C=C(\C)[C@H](C)[C@@H](C)O	238406145	572680062	/nfs/dbraw/zinc/68/00/62/572680062.db2.gz	WKIIPZXEEWYDJA-AUYWTOELSA-N	0	0	194.318	3.472	10	0		AGAERN
CCC[NH2+][C@](C)(C(F)F)[C@@H](C)CC	87689371	572681359	/nfs/dbraw/zinc/68/13/59/572681359.db2.gz	LJUZPBRLVNLNRQ-WPRPVWTQSA-N	0	0	193.281	3.056	10	0		AGAERN
CS[C@@H]1CCC[C@@H](n2cccc2)C1	235198916	572681404	/nfs/dbraw/zinc/68/14/04/572681404.db2.gz	LTUZOKDEZYIFRJ-GHMZBOCLSA-N	0	0	195.331	3.335	10	0		AGAERN
CCC[NH2+][C@H](C(F)F)C(CC)CC	87689415	572681450	/nfs/dbraw/zinc/68/14/50/572681450.db2.gz	YBSARLWDKYBYOF-VIFPVBQESA-N	0	0	193.281	3.056	10	0		AGAERN
CCCc1c(N)oc2ccc(C)cc12	77069480	572681461	/nfs/dbraw/zinc/68/14/61/572681461.db2.gz	UFJMVNKJOMUCOH-UHFFFAOYSA-N	0	0	189.258	3.276	10	0		AGAERN
Cc1cccc2c(C3CC3)c(N)oc12	77068864	572681646	/nfs/dbraw/zinc/68/16/46/572681646.db2.gz	MZEOIDPCDAIJRK-UHFFFAOYSA-N	0	0	187.242	3.201	10	0		AGAERN
CCCCC[C@@H]([NH2+]CCC)C(F)F	87689414	572681681	/nfs/dbraw/zinc/68/16/81/572681681.db2.gz	LTWXQWYRJNWMBF-SECBINFHSA-N	0	0	193.281	3.200	10	0		AGAERN
CCC[NH2+][C@](C)(CC(C)C)C(F)F	87689483	572681710	/nfs/dbraw/zinc/68/17/10/572681710.db2.gz	NIHQCSSFUGSNFR-SNVBAGLBSA-N	0	0	193.281	3.056	10	0		AGAERN
CCC[NH2+][C@@H](C(F)F)[C@H](C)CCC	87689369	572681735	/nfs/dbraw/zinc/68/17/35/572681735.db2.gz	KAQJMSMKVGPCPW-RKDXNWHRSA-N	0	0	193.281	3.056	10	0		AGAERN
Cc1cccc2c(C(C)C)c(N)oc12	77068705	572682080	/nfs/dbraw/zinc/68/20/80/572682080.db2.gz	RZGBHOUSTLFQFS-UHFFFAOYSA-N	0	0	189.258	3.447	10	0		AGAERN
CCC[NH2+][C@@](C)(C(F)F)[C@H](C)CC	87689374	572682114	/nfs/dbraw/zinc/68/21/14/572682114.db2.gz	LJUZPBRLVNLNRQ-PSASIEDQSA-N	0	0	193.281	3.056	10	0		AGAERN
CCC[NH2+][C@](C)(C(F)F)[C@H](C)CC	87689373	572682133	/nfs/dbraw/zinc/68/21/33/572682133.db2.gz	LJUZPBRLVNLNRQ-SCZZXKLOSA-N	0	0	193.281	3.056	10	0		AGAERN
C/C=C/CCc1ccsc1	714527707	572682201	/nfs/dbraw/zinc/68/22/01/572682201.db2.gz	JKEHRDVZUXBFTF-NSCUHMNNSA-N	0	0	152.262	3.257	10	0		AGAERN
C/C=C\CSC(=S)OC(C)C	307868096	572682331	/nfs/dbraw/zinc/68/23/31/572682331.db2.gz	KFVUKTCVPOKMJL-PLNGDYQASA-N	0	0	190.333	3.006	10	0		AGAERN
CCC[NH2+][C@H](C(F)F)[C@H](C)CCC	87689367	572682630	/nfs/dbraw/zinc/68/26/30/572682630.db2.gz	KAQJMSMKVGPCPW-BDAKNGLRSA-N	0	0	193.281	3.056	10	0		AGAERN
CCCc1c(N)oc2c(C)cccc12	77068807	572682913	/nfs/dbraw/zinc/68/29/13/572682913.db2.gz	RFNHZOSZYOEJQH-UHFFFAOYSA-N	0	0	189.258	3.276	10	0		AGAERN
CCC[NH2+][C@@](C)(CC(C)C)C(F)F	87689482	572682934	/nfs/dbraw/zinc/68/29/34/572682934.db2.gz	NIHQCSSFUGSNFR-JTQLQIEISA-N	0	0	193.281	3.056	10	0		AGAERN
CCCCC[C@H]([NH2+]CCC)C(F)F	87689413	572683029	/nfs/dbraw/zinc/68/30/29/572683029.db2.gz	LTWXQWYRJNWMBF-VIFPVBQESA-N	0	0	193.281	3.200	10	0		AGAERN
CCC[NH2+][C@H](C(F)F)[C@@H](C)CCC	87689368	572683189	/nfs/dbraw/zinc/68/31/89/572683189.db2.gz	KAQJMSMKVGPCPW-IUCAKERBSA-N	0	0	193.281	3.056	10	0		AGAERN
CCC[NH2+][C@@H](C(F)F)C(CC)CC	87689416	572683220	/nfs/dbraw/zinc/68/32/20/572683220.db2.gz	YBSARLWDKYBYOF-SECBINFHSA-N	0	0	193.281	3.056	10	0		AGAERN
CCC[NH2+][C@@](C)(C(F)F)[C@@H](C)CC	87689372	572683365	/nfs/dbraw/zinc/68/33/65/572683365.db2.gz	LJUZPBRLVNLNRQ-WCBMZHEXSA-N	0	0	193.281	3.056	10	0		AGAERN
CC(C)(C)c1c(N)oc2ccccc12	77068252	572684427	/nfs/dbraw/zinc/68/44/27/572684427.db2.gz	VXCCYUVWYOEMNR-UHFFFAOYSA-N	0	0	189.258	3.313	10	0		AGAERN
CC(C)c1c(N)oc2ccccc12	77068120	572685012	/nfs/dbraw/zinc/68/50/12/572685012.db2.gz	RMALANMDXRRODS-UHFFFAOYSA-N	0	0	175.231	3.138	10	0		AGAERN
CCC(C)(C)[C@@H](O)c1ccccc1	54404031	572685358	/nfs/dbraw/zinc/68/53/58/572685358.db2.gz	DVSRYJYNHQYGCJ-NSHDSACASA-N	0	0	178.275	3.156	10	0		AGAERN
CCc1c(N)oc2c(Cl)cccc12	77069128	572685962	/nfs/dbraw/zinc/68/59/62/572685962.db2.gz	NJVDHMMGVQSVSK-UHFFFAOYSA-N	0	0	195.649	3.231	10	0		AGAERN
CC(C)c1c(CO)oc2ccccc12	77068048	572686088	/nfs/dbraw/zinc/68/60/88/572686088.db2.gz	BTKDBBJEYFWZNA-UHFFFAOYSA-N	0	0	190.242	3.049	10	0		AGAERN
CCC(C)(C)[C@H](O)c1ccccc1	54404030	572686742	/nfs/dbraw/zinc/68/67/42/572686742.db2.gz	DVSRYJYNHQYGCJ-LLVKDONJSA-N	0	0	178.275	3.156	10	0		AGAERN
CCc1ccc(O[C@H](C)CC)c(N)c1	66140764	572687155	/nfs/dbraw/zinc/68/71/55/572687155.db2.gz	QABVMJIMKDDCFA-SECBINFHSA-N	0	0	193.290	3.009	10	0		AGAERN
CCc1c(N)oc2ccc(Cl)cc12	77069804	572687434	/nfs/dbraw/zinc/68/74/34/572687434.db2.gz	SMTCUNNBWADWIB-UHFFFAOYSA-N	0	0	195.649	3.231	10	0		AGAERN
C[C@@H]1CC(C)(C)C[C@H]1NOC(C)(C)C	235308356	572687469	/nfs/dbraw/zinc/68/74/69/572687469.db2.gz	VSITXVHRMZGSPY-NXEZZACHSA-N	0	0	199.338	3.131	10	0		AGAERN
CCc1c(N)oc2c(C)cc(C)cc12	77070908	572687542	/nfs/dbraw/zinc/68/75/42/572687542.db2.gz	OTOGBJJAPLOFBG-UHFFFAOYSA-N	0	0	189.258	3.194	10	0		AGAERN
CCCCOc1ccc(CC)cc1N	66140755	572687663	/nfs/dbraw/zinc/68/76/63/572687663.db2.gz	JCDMSYNURNQSAQ-UHFFFAOYSA-N	0	0	193.290	3.010	10	0		AGAERN
CCc1c(N)oc2c(C)c(C)ccc12	77070186	572687860	/nfs/dbraw/zinc/68/78/60/572687860.db2.gz	TYUJLXPZHKUUDE-UHFFFAOYSA-N	0	0	189.258	3.194	10	0		AGAERN
CCOc1ccc([C@H](C)CC)cc1N	66140914	572688145	/nfs/dbraw/zinc/68/81/45/572688145.db2.gz	QBUWNKBKTXZXRT-SECBINFHSA-N	0	0	193.290	3.181	10	0		AGAERN
CCc1ccc2oc(N)c(CC)c2c1	77070545	572688259	/nfs/dbraw/zinc/68/82/59/572688259.db2.gz	ZAEMEXZIISHMTC-UHFFFAOYSA-N	0	0	189.258	3.140	10	0		AGAERN
CCc1ccc(O[C@@H](C)CC)c(N)c1	66140763	572688488	/nfs/dbraw/zinc/68/84/88/572688488.db2.gz	QABVMJIMKDDCFA-VIFPVBQESA-N	0	0	193.290	3.009	10	0		AGAERN
CC(C)(C)CC[C@@H](O)c1ccco1	54446239	572688508	/nfs/dbraw/zinc/68/85/08/572688508.db2.gz	ORZGPWCDPIHGAP-SECBINFHSA-N	0	0	182.263	3.139	10	0		AGAERN
CC(C)=CC/C=C/CCCCO	214185052	572688688	/nfs/dbraw/zinc/68/86/88/572688688.db2.gz	CAWKQDUEDLQNHW-HWKANZROSA-N	0	0	168.280	3.062	10	0		AGAERN
C1=C(Sc2ccccc2)CC1	205645251	572688885	/nfs/dbraw/zinc/68/88/85/572688885.db2.gz	OMMUMNKORYIPOF-UHFFFAOYSA-N	0	0	162.257	3.456	10	0		AGAERN
CCCCOc1c(C)cc(N)cc1C	66140623	572689058	/nfs/dbraw/zinc/68/90/58/572689058.db2.gz	DPDKJECEBOPPGI-UHFFFAOYSA-N	0	0	193.290	3.065	10	0		AGAERN
CC[C@@H](C)Oc1c(C)cc(C)cc1N	66140674	572689282	/nfs/dbraw/zinc/68/92/82/572689282.db2.gz	FIWSYXXCCAXXRX-SNVBAGLBSA-N	0	0	193.290	3.063	10	0		AGAERN
CCOc1ccc([C@@H](C)CC)cc1N	66140915	572689365	/nfs/dbraw/zinc/68/93/65/572689365.db2.gz	QBUWNKBKTXZXRT-VIFPVBQESA-N	0	0	193.290	3.181	10	0		AGAERN
Cc1ccc2oc(N)c(C3CC3)c2c1	77069590	572689891	/nfs/dbraw/zinc/68/98/91/572689891.db2.gz	JNIXRWBCXKOBHC-UHFFFAOYSA-N	0	0	187.242	3.201	10	0		AGAERN
CCCCCCc1cc(Cl)on1	87723946	572690092	/nfs/dbraw/zinc/69/00/92/572690092.db2.gz	NYSKCMAFMMXYCD-UHFFFAOYSA-N	0	0	187.670	3.451	10	0		AGAERN
CCC[NH2+]Cc1cc(C)oc1C(C)C	77072381	572692151	/nfs/dbraw/zinc/69/21/51/572692151.db2.gz	NLPYMYRWVNTYPL-UHFFFAOYSA-N	0	0	195.306	3.211	10	0		AGAERN
CC[C@@H](C)Oc1c(C)cc(N)cc1C	66140632	572690611	/nfs/dbraw/zinc/69/06/11/572690611.db2.gz	QJKCTLSFOXWSSB-SNVBAGLBSA-N	0	0	193.290	3.063	10	0		AGAERN
CC[C@H](C)Oc1c(C)cc(N)cc1C	66140633	572690648	/nfs/dbraw/zinc/69/06/48/572690648.db2.gz	QJKCTLSFOXWSSB-JTQLQIEISA-N	0	0	193.290	3.063	10	0		AGAERN
CC[C@H](C)Oc1c(C)cc(C)cc1N	66140676	572690764	/nfs/dbraw/zinc/69/07/64/572690764.db2.gz	FIWSYXXCCAXXRX-JTQLQIEISA-N	0	0	193.290	3.063	10	0		AGAERN
Cc1ccc2oc(N)c(C(C)C)c2c1	77069535	572690971	/nfs/dbraw/zinc/69/09/71/572690971.db2.gz	TULGSUDACACNPT-UHFFFAOYSA-N	0	0	189.258	3.447	10	0		AGAERN
Cc1cc(C[NH2+]C(C)C)c(C(C)C)o1	77072380	572691590	/nfs/dbraw/zinc/69/15/90/572691590.db2.gz	VBVOVOIZTWQRKD-UHFFFAOYSA-N	0	0	195.306	3.209	10	0		AGAERN
CC(=O)c1cc(C)oc1C(C)(C)C	77072577	572691844	/nfs/dbraw/zinc/69/18/44/572691844.db2.gz	DBBVHAHFRTZQIO-UHFFFAOYSA-N	0	0	180.247	3.088	10	0		AGAERN
CCc1oc(C(C)(C)C)cc1C(C)=O	77075952	572692010	/nfs/dbraw/zinc/69/20/10/572692010.db2.gz	AUWWJHSMSXBRQS-UHFFFAOYSA-N	0	0	194.274	3.342	10	0		AGAERN
CC(C)c1ccc(O)c(C(C)C)c1O	21984360	572692116	/nfs/dbraw/zinc/69/21/16/572692116.db2.gz	UWYCAHQDPTUBEK-UHFFFAOYSA-N	0	0	194.274	3.345	10	0		AGAERN
CCNc1ccc(O[C@H](C)CC)cc1	66171014	572692260	/nfs/dbraw/zinc/69/22/60/572692260.db2.gz	WLMBJGZHRNKONM-SNVBAGLBSA-N	0	0	193.290	3.296	10	0		AGAERN
CCCNc1cccc(OC(C)C)c1	66170945	572692300	/nfs/dbraw/zinc/69/23/00/572692300.db2.gz	UFOWAZQBJVBBMU-UHFFFAOYSA-N	0	0	193.290	3.296	10	0		AGAERN
CC[C@H](C)CNc1cc(N)ccc1C	54466943	572692400	/nfs/dbraw/zinc/69/24/00/572692400.db2.gz	PCMJRFRLEPPRRR-VIFPVBQESA-N	0	0	192.306	3.035	10	0		AGAERN
CCc1c(N)oc2cc(C)cc(C)c12	77071267	572692557	/nfs/dbraw/zinc/69/25/57/572692557.db2.gz	HEQYIFSEKCWIRO-UHFFFAOYSA-N	0	0	189.258	3.194	10	0		AGAERN
Cc1c(N)oc2c1ccc1ccccc12	77072115	572692723	/nfs/dbraw/zinc/69/27/23/572692723.db2.gz	XNJYPSHLCOCEJP-UHFFFAOYSA-N	0	0	197.237	3.477	10	0		AGAERN
CCc1oc(C(C)C)cc1C(C)=O	77075862	572692786	/nfs/dbraw/zinc/69/27/86/572692786.db2.gz	PYMZSZBSTQULEC-UHFFFAOYSA-N	0	0	180.247	3.168	10	0		AGAERN
CCNc1ccc(O[C@@H](C)CC)cc1	66171015	572692820	/nfs/dbraw/zinc/69/28/20/572692820.db2.gz	WLMBJGZHRNKONM-JTQLQIEISA-N	0	0	193.290	3.296	10	0		AGAERN
C=C(c1ccc(OC)cc1)c1ccc[nH]1	238410879	572692838	/nfs/dbraw/zinc/69/28/38/572692838.db2.gz	JQOKBZJSZGAYKS-UHFFFAOYSA-N	0	0	199.253	3.085	10	0		AGAERN
CC[C@H](C)CNc1ncccc1Cl	54474502	572692855	/nfs/dbraw/zinc/69/28/55/572692855.db2.gz	KIXYOPSZIFQRDX-QMMMGPOBSA-N	0	0	198.697	3.193	10	0		AGAERN
CC(C)(C)Cc1cnc(Cl)s1	117503985	572693044	/nfs/dbraw/zinc/69/30/44/572693044.db2.gz	DHIVIMTYBVFZEZ-UHFFFAOYSA-N	0	0	189.711	3.385	10	0		AGAERN
CNc1cccc(OCCC(C)C)c1	66172146	572693074	/nfs/dbraw/zinc/69/30/74/572693074.db2.gz	QHLKSUJBFVBDEF-UHFFFAOYSA-N	0	0	193.290	3.153	10	0		AGAERN
CC[C@@H](C)Cn1c(C)ccc1C	54490549	572693608	/nfs/dbraw/zinc/69/36/08/572693608.db2.gz	FTGYJAFTYBSGBC-SECBINFHSA-N	0	0	165.280	3.151	10	0		AGAERN
Cc1cnc(NC2CC2)c2ccccc12	74402833	572693779	/nfs/dbraw/zinc/69/37/79/572693779.db2.gz	YOWXKXHBQMQVQW-UHFFFAOYSA-N	0	0	198.269	3.118	10	0		AGAERN
Cc1ccc(Cl)c2c1C[C@H](C)N2	713733261	572693910	/nfs/dbraw/zinc/69/39/10/572693910.db2.gz	VMJINOBMBHZMIE-ZETCQYMHSA-N	0	0	181.666	3.005	10	0		AGAERN
C[C@H](CCCCCO)c1ccccc1	238417356	572694475	/nfs/dbraw/zinc/69/44/75/572694475.db2.gz	JJZFBASZQXKXHR-GFCCVEGCSA-N	0	0	192.302	3.343	10	0		AGAERN
Cc1ccc(Cl)c2c1C[C@@H](C)N2	713733260	572695003	/nfs/dbraw/zinc/69/50/03/572695003.db2.gz	VMJINOBMBHZMIE-SSDOTTSWSA-N	0	0	181.666	3.005	10	0		AGAERN
CC[C@@H](C)CNc1cc(N)ccc1C	54466942	572695263	/nfs/dbraw/zinc/69/52/63/572695263.db2.gz	PCMJRFRLEPPRRR-SECBINFHSA-N	0	0	192.306	3.035	10	0		AGAERN
C/C(=C\[C@@H]1CCC[C@H](C)C1)[C@H](C)O	299965672	572695827	/nfs/dbraw/zinc/69/58/27/572695827.db2.gz	MBDQJSAVSRONOK-QLJASRGUSA-N	0	0	182.307	3.140	10	0		AGAERN
CC[C@@H](C)CNc1ncccc1Cl	54474500	572695924	/nfs/dbraw/zinc/69/59/24/572695924.db2.gz	KIXYOPSZIFQRDX-MRVPVSSYSA-N	0	0	198.697	3.193	10	0		AGAERN
C[C@@H]1C[C@@H]1[C@@H](O)C1=CCCCCCC1	235310261	572695994	/nfs/dbraw/zinc/69/59/94/572695994.db2.gz	LFIJTPGPBCKYST-WXHSDQCUSA-N	0	0	194.318	3.284	10	0		AGAERN
CC[C@H](C)Cn1c(C)ccc1C	54490551	572696240	/nfs/dbraw/zinc/69/62/40/572696240.db2.gz	FTGYJAFTYBSGBC-VIFPVBQESA-N	0	0	165.280	3.151	10	0		AGAERN
C/C=C/CCc1ccc(F)cc1	714532459	572697518	/nfs/dbraw/zinc/69/75/18/572697518.db2.gz	YWPDYHSUIPOTLZ-NSCUHMNNSA-N	0	0	164.223	3.334	10	0		AGAERN
CCCCCC(=O)[C@]1(C)CCCCO1	87761448	572697571	/nfs/dbraw/zinc/69/75/71/572697571.db2.gz	DICQVSWBSFNEDY-LBPRGKRZSA-N	0	0	198.306	3.095	10	0		AGAERN
CC(C)C1CCC(O)(C(C)C)CC1	54557296	572697684	/nfs/dbraw/zinc/69/76/84/572697684.db2.gz	UGLZGFWLTGUGMV-UHFFFAOYSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@@H](O)C(C)(C)CCc1ccccc1	238420677	572700342	/nfs/dbraw/zinc/70/03/42/572700342.db2.gz	GIOSJJLXFKUSPS-LLVKDONJSA-N	0	0	192.302	3.026	10	0		AGAERN
CC(C)CCCCCn1ccnc1	117520752	572699210	/nfs/dbraw/zinc/69/92/10/572699210.db2.gz	ZVZDMQASNIYLDF-UHFFFAOYSA-N	0	0	180.295	3.100	10	0		AGAERN
CCCC1(O)CCC(C(C)C)CC1	54557279	572699351	/nfs/dbraw/zinc/69/93/51/572699351.db2.gz	MNGHYCOBZKVOIO-UHFFFAOYSA-N	0	0	184.323	3.364	10	0		AGAERN
CC1=C[C@H](C)C[C@H]([C@@H](O)C(C)(C)C)C1	235313657	572699516	/nfs/dbraw/zinc/69/95/16/572699516.db2.gz	VDTDPWIUYKZHQI-ZMLRMANQSA-N	0	0	196.334	3.386	10	0		AGAERN
Cc1cc(Cc2ccccc2)ccc1N	32009562	572699816	/nfs/dbraw/zinc/69/98/16/572699816.db2.gz	CJIUZBUIEDGQMV-UHFFFAOYSA-N	0	0	197.281	3.168	10	0		AGAERN
Cc1ccc(Cc2ccccc2N)cc1	32009558	572699852	/nfs/dbraw/zinc/69/98/52/572699852.db2.gz	UYYLZKOSHLFMKH-UHFFFAOYSA-N	0	0	197.281	3.168	10	0		AGAERN
Cc1cc([C@@H]2C=CCC2)ccc1N	196867595	572700678	/nfs/dbraw/zinc/70/06/78/572700678.db2.gz	FNHJHQFBGVUTTG-SNVBAGLBSA-N	0	0	173.259	3.011	10	0		AGAERN
CC(C)=CCC[C@H](C)Cc1c[nH]cn1	238419105	572700849	/nfs/dbraw/zinc/70/08/49/572700849.db2.gz	VMIBMYHZBVTNRN-NSHDSACASA-N	0	0	192.306	3.335	10	0		AGAERN
CC(C)[C@H](C)C(=O)CC(C)(C)C	116455358	572701261	/nfs/dbraw/zinc/70/12/61/572701261.db2.gz	NLAADYXVZYKMIH-VIFPVBQESA-N	0	0	170.296	3.284	10	0		AGAERN
CSCCCCCCCCCO	238419052	572701390	/nfs/dbraw/zinc/70/13/90/572701390.db2.gz	SGHLHJJKQRFDMO-UHFFFAOYSA-N	0	0	190.352	3.072	10	0		AGAERN
C[C@@H](C=C1CCCCC1)CCCO	238419862	572701463	/nfs/dbraw/zinc/70/14/63/572701463.db2.gz	SJKSCNJUFCBAEE-LLVKDONJSA-N	0	0	182.307	3.286	10	0		AGAERN
CC1(C)C=Nc2ccc(Cl)cc21	116466408	572702375	/nfs/dbraw/zinc/70/23/75/572702375.db2.gz	JULZOFICDLNFNL-UHFFFAOYSA-N	0	0	179.650	3.334	10	0		AGAERN
C[C@@H]1CCC[C@@H](C(=O)c2ccoc2)C1	70559074	572702442	/nfs/dbraw/zinc/70/24/42/572702442.db2.gz	DDINFPDKGVMKMK-NXEZZACHSA-N	0	0	192.258	3.289	10	0		AGAERN
C[C@@H]1CCC[C@H]([C@H](O)c2ccco2)C1	70559080	572702493	/nfs/dbraw/zinc/70/24/93/572702493.db2.gz	KQMNWOFZOFKEOW-SCVCMEIPSA-N	0	0	194.274	3.139	10	0		AGAERN
C[C@H]1CCC[C@@H](C(=O)c2ccoc2)C1	70559075	572702501	/nfs/dbraw/zinc/70/25/01/572702501.db2.gz	DDINFPDKGVMKMK-VHSXEESVSA-N	0	0	192.258	3.289	10	0		AGAERN
C[C@H]1CCC[C@H](C(=O)c2ccco2)C1	70559069	572702525	/nfs/dbraw/zinc/70/25/25/572702525.db2.gz	GDCUVEKNWNLJQJ-UWVGGRQHSA-N	0	0	192.258	3.289	10	0		AGAERN
C[C@@H]1CCC[C@H]([C@H](O)c2ccoc2)C1	70559076	572702537	/nfs/dbraw/zinc/70/25/37/572702537.db2.gz	LVYBYXYOEKWSDF-SCVCMEIPSA-N	0	0	194.274	3.139	10	0		AGAERN
C[C@@H]1CCC[C@H](C(=O)c2ccco2)C1	70559068	572702540	/nfs/dbraw/zinc/70/25/40/572702540.db2.gz	GDCUVEKNWNLJQJ-ZJUUUORDSA-N	0	0	192.258	3.289	10	0		AGAERN
C[C@H]1CCC[C@@H](C(=O)c2ccco2)C1	70559071	572702558	/nfs/dbraw/zinc/70/25/58/572702558.db2.gz	GDCUVEKNWNLJQJ-VHSXEESVSA-N	0	0	192.258	3.289	10	0		AGAERN
C[C@@H]1CCC[C@H](C(=O)c2ccoc2)C1	70559072	572702586	/nfs/dbraw/zinc/70/25/86/572702586.db2.gz	DDINFPDKGVMKMK-ZJUUUORDSA-N	0	0	192.258	3.289	10	0		AGAERN
C[C@H]1CCC[C@H](C(=O)c2ccoc2)C1	70559073	572702607	/nfs/dbraw/zinc/70/26/07/572702607.db2.gz	DDINFPDKGVMKMK-UWVGGRQHSA-N	0	0	192.258	3.289	10	0		AGAERN
C[C@@H]1CCC[C@@H]([C@H](O)c2ccco2)C1	70559082	572702677	/nfs/dbraw/zinc/70/26/77/572702677.db2.gz	KQMNWOFZOFKEOW-FOGDFJRCSA-N	0	0	194.274	3.139	10	0		AGAERN
C[C@@H]1CCC[C@@H](C(=O)c2ccco2)C1	70559070	572702695	/nfs/dbraw/zinc/70/26/95/572702695.db2.gz	GDCUVEKNWNLJQJ-NXEZZACHSA-N	0	0	192.258	3.289	10	0		AGAERN
C[C@@H]1CCC[C@@H]([C@H](O)c2ccoc2)C1	70559078	572702839	/nfs/dbraw/zinc/70/28/39/572702839.db2.gz	LVYBYXYOEKWSDF-FOGDFJRCSA-N	0	0	194.274	3.139	10	0		AGAERN
ClC=C1CCCCCC1	196535179	572703256	/nfs/dbraw/zinc/70/32/56/572703256.db2.gz	FNHBWGYNJFEDRA-UHFFFAOYSA-N	0	0	144.645	3.463	10	0		AGAERN
CC(C)=C(Cl)CC(=O)C(C)C	196534576	572703428	/nfs/dbraw/zinc/70/34/28/572703428.db2.gz	UZIDWAGUKSJXMV-UHFFFAOYSA-N	0	0	174.671	3.134	10	0		AGAERN
CC[C@H]1CCCC[C@]1(O)CC(C)C	70568840	572704745	/nfs/dbraw/zinc/70/47/45/572704745.db2.gz	HJZCRNHVTLECMB-RYUDHWBXSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H]1CCCC[C@]1(O)c1ccco1	70568823	572703907	/nfs/dbraw/zinc/70/39/07/572703907.db2.gz	NZPNZYKMEQBZGH-ZYHUDNBSSA-N	0	0	194.274	3.067	10	0		AGAERN
C[C@@H]1CCC[C@H]([C@@H](O)[C@@H]2CC2(C)C)C1	235319279	572704471	/nfs/dbraw/zinc/70/44/71/572704471.db2.gz	PGGYQTHJVPGHNQ-NOOOWODRSA-N	0	0	196.334	3.220	10	0		AGAERN
CC[C@@H]1CCCC[C@@]1(O)CC(C)C	70568841	572704652	/nfs/dbraw/zinc/70/46/52/572704652.db2.gz	HJZCRNHVTLECMB-VXGBXAGGSA-N	0	0	184.323	3.364	10	0		AGAERN
c1cc2ccc3sccc3c2[nH]1	196531174	572704865	/nfs/dbraw/zinc/70/48/65/572704865.db2.gz	KWQMJXZUGBNSOY-UHFFFAOYSA-N	0	0	173.240	3.383	10	0		AGAERN
C/C(=C\C1CCCC1)[C@H](C)CCO	238433046	572704938	/nfs/dbraw/zinc/70/49/38/572704938.db2.gz	KCZKLDFFRDYBTE-OYVNLZQHSA-N	0	0	182.307	3.141	10	0		AGAERN
CC[C@H]1CCCC[C@@]1(O)c1ccco1	70568826	572705180	/nfs/dbraw/zinc/70/51/80/572705180.db2.gz	NZPNZYKMEQBZGH-JQWIXIFHSA-N	0	0	194.274	3.067	10	0		AGAERN
CCC[C@@H]1C[C@@H](C(C)C)CCC1=O	54629963	572705430	/nfs/dbraw/zinc/70/54/30/572705430.db2.gz	KDZRWMYJXRBGOH-WDEREUQCSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H]1CCCC[C@@]1(O)CC(C)C	70568842	572705457	/nfs/dbraw/zinc/70/54/57/572705457.db2.gz	HJZCRNHVTLECMB-NWDGAFQWSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H]1CCCC[C@]1(O)c1ccco1	70568824	572705464	/nfs/dbraw/zinc/70/54/64/572705464.db2.gz	NZPNZYKMEQBZGH-CMPLNLGQSA-N	0	0	194.274	3.067	10	0		AGAERN
C=Cc1nc(C2CCC(C)CC2)no1	70580985	572705530	/nfs/dbraw/zinc/70/55/30/572705530.db2.gz	NLRKGOLFODSOEO-UHFFFAOYSA-N	0	0	192.262	3.006	10	0		AGAERN
C[C@H](CCO)CCC1=CCCCC1	238433645	572705551	/nfs/dbraw/zinc/70/55/51/572705551.db2.gz	KHMUXJNRMGAASY-NSHDSACASA-N	0	0	182.307	3.286	10	0		AGAERN
CC[C@@H]1CCCC[C@]1(O)CC(C)C	70568839	572705684	/nfs/dbraw/zinc/70/56/84/572705684.db2.gz	HJZCRNHVTLECMB-NEPJUHHUSA-N	0	0	184.323	3.364	10	0		AGAERN
CCc1cnc2cc(Cl)ccc2c1	196538193	572705714	/nfs/dbraw/zinc/70/57/14/572705714.db2.gz	KWXIEVXRSVXNON-UHFFFAOYSA-N	0	0	191.661	3.451	10	0		AGAERN
C[C@H](CCO)CCC[Si](C)(C)C	238433943	572705885	/nfs/dbraw/zinc/70/58/85/572705885.db2.gz	OAGHBPWFLTYKQT-JTQLQIEISA-N	0	0	188.387	3.123	10	0		AGAERN
CCS[C@H](CC)c1cccc(N)c1	117573070	572706364	/nfs/dbraw/zinc/70/63/64/572706364.db2.gz	NXTWBTCVNAXVRB-LLVKDONJSA-N	0	0	195.331	3.473	10	0		AGAERN
CC[C@@H]1CCCC[C@@]1(O)c1ccco1	70568825	572706369	/nfs/dbraw/zinc/70/63/69/572706369.db2.gz	NZPNZYKMEQBZGH-PWSUYJOCSA-N	0	0	194.274	3.067	10	0		AGAERN
CCCc1ccc(NCCF)cc1	87774736	572707023	/nfs/dbraw/zinc/70/70/23/572707023.db2.gz	ZWZMKYWPUYSRGI-UHFFFAOYSA-N	0	0	181.254	3.021	10	0		AGAERN
C/C=C/C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1O	54631310	572707449	/nfs/dbraw/zinc/70/74/49/572707449.db2.gz	CDENFUNDCAJILD-VTYAVTIVSA-N	0	0	196.334	3.386	10	0		AGAERN
CC(C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1O	54631332	572707455	/nfs/dbraw/zinc/70/74/55/572707455.db2.gz	DNLHZVWFTNNBRF-UPJWGTAASA-N	0	0	198.350	3.466	10	0		AGAERN
C/C=C/C[C@@H]1C[C@H](C(C)C)CC[C@@H]1O	54631306	572707510	/nfs/dbraw/zinc/70/75/10/572707510.db2.gz	CDENFUNDCAJILD-MTTQNTSXSA-N	0	0	196.334	3.386	10	0		AGAERN
CC(C)C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1O	54631336	572707533	/nfs/dbraw/zinc/70/75/33/572707533.db2.gz	DNLHZVWFTNNBRF-XQQFMLRXSA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)(C)SCC[C@H]1CCCO1	308100080	572707733	/nfs/dbraw/zinc/70/77/33/572707733.db2.gz	FZJLJYJNRMSOQN-SECBINFHSA-N	0	0	188.336	3.087	10	0		AGAERN
CCCCc1ccc(NCCF)cc1	87774735	572708026	/nfs/dbraw/zinc/70/80/26/572708026.db2.gz	AHEHZSRDDMTQJH-UHFFFAOYSA-N	0	0	195.281	3.411	10	0		AGAERN
CCC[C@@H]1C[C@H](C(C)C)CCC1=O	54629959	572708148	/nfs/dbraw/zinc/70/81/48/572708148.db2.gz	KDZRWMYJXRBGOH-GHMZBOCLSA-N	0	0	182.307	3.428	10	0		AGAERN
Cc1ccc([C@@H](C)CCCCO)s1	238424444	572708522	/nfs/dbraw/zinc/70/85/22/572708522.db2.gz	YMSJPIVQHZPBHN-VIFPVBQESA-N	0	0	198.331	3.323	10	0		AGAERN
CCC[C@H]1C[C@@H](C(C)C)CCC1=O	54629965	572708615	/nfs/dbraw/zinc/70/86/15/572708615.db2.gz	KDZRWMYJXRBGOH-QWRGUYRKSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)(C)SCC[C@@H]1CCCO1	308100084	572708639	/nfs/dbraw/zinc/70/86/39/572708639.db2.gz	FZJLJYJNRMSOQN-VIFPVBQESA-N	0	0	188.336	3.087	10	0		AGAERN
C/C=C/CSc1cc(N)cc(F)c1	70588958	572708813	/nfs/dbraw/zinc/70/88/13/572708813.db2.gz	OCNDKTZKNGYANF-NSCUHMNNSA-N	0	0	197.278	3.076	10	0		AGAERN
C[C@@H]1Nc2ccccc2Cn2cccc21	238425137	572709368	/nfs/dbraw/zinc/70/93/68/572709368.db2.gz	LTABSDPXAUJUDL-JTQLQIEISA-N	0	0	198.269	3.023	10	0		AGAERN
C[C@H](O)CC/C=C/C[Si](C)(C)C	238426788	572709863	/nfs/dbraw/zinc/70/98/63/572709863.db2.gz	KKNFFLDTUHLJIZ-STUBTGCMSA-N	0	0	186.371	3.042	10	0		AGAERN
CCc1cccc(CC)c1NCCF	87775075	572710193	/nfs/dbraw/zinc/71/01/93/572710193.db2.gz	RTINVVBRUIFQLM-UHFFFAOYSA-N	0	0	195.281	3.193	10	0		AGAERN
CC/C=C/CCSCCSC	307879626	572710812	/nfs/dbraw/zinc/71/08/12/572710812.db2.gz	PMQZNGYIELVGCE-SNAWJCMRSA-N	0	0	190.377	3.439	10	0		AGAERN
CC[C@H](F)CSCCCSC	307880438	572710815	/nfs/dbraw/zinc/71/08/15/572710815.db2.gz	QIHSKDYXISNRBT-QMMMGPOBSA-N	0	0	196.356	3.221	10	0		AGAERN
CC(C)c1cc(CO)c(C(C)(C)C)o1	77078480	572711171	/nfs/dbraw/zinc/71/11/71/572711171.db2.gz	ILVWPKAQXOZVQM-UHFFFAOYSA-N	0	0	196.290	3.193	10	0		AGAERN
CC(C)c1cc(CO)c(C(C)C)o1	77078390	572711431	/nfs/dbraw/zinc/71/14/31/572711431.db2.gz	MEUFZXOTUQXCMS-UHFFFAOYSA-N	0	0	182.263	3.019	10	0		AGAERN
CCC[C@@H]1CCC(=O)[C@@H](CCF)C1	87776227	572711432	/nfs/dbraw/zinc/71/14/32/572711432.db2.gz	WBHLHMJYVWEWOR-ZJUUUORDSA-N	0	0	186.270	3.132	10	0		AGAERN
Cc1ccc(C[C@]2(C)CCCO2)cc1	21991383	572711540	/nfs/dbraw/zinc/71/15/40/572711540.db2.gz	CIWHOPSLMNPSPB-ZDUSSCGKSA-N	0	0	190.286	3.107	10	0		AGAERN
CCCCSC(=S)OC(C)C	307876243	572711643	/nfs/dbraw/zinc/71/16/43/572711643.db2.gz	NWWODTGTZKCWCE-UHFFFAOYSA-N	0	0	192.349	3.230	10	0		AGAERN
CCCc1ccccc1NCCF	87774960	572712383	/nfs/dbraw/zinc/71/23/83/572712383.db2.gz	MBCVJZMJOHBFGT-UHFFFAOYSA-N	0	0	181.254	3.021	10	0		AGAERN
CCC[C@H]1CCC(=O)[C@@H](CCF)C1	87776228	572712401	/nfs/dbraw/zinc/71/24/01/572712401.db2.gz	WBHLHMJYVWEWOR-UWVGGRQHSA-N	0	0	186.270	3.132	10	0		AGAERN
CCCc1oc(C(C)(C)C)cc1CO	77080549	572712416	/nfs/dbraw/zinc/71/24/16/572712416.db2.gz	ZJFRSZOBKQBKJA-UHFFFAOYSA-N	0	0	196.290	3.022	10	0		AGAERN
CCC[C@H]1CCC(=O)[C@H](CCF)C1	87776226	572712526	/nfs/dbraw/zinc/71/25/26/572712526.db2.gz	WBHLHMJYVWEWOR-VHSXEESVSA-N	0	0	186.270	3.132	10	0		AGAERN
CC(=O)c1cc(C(C)C)oc1C1CC1	77082609	572712660	/nfs/dbraw/zinc/71/26/60/572712660.db2.gz	PFMUVFWZURAQRK-UHFFFAOYSA-N	0	0	192.258	3.483	10	0		AGAERN
Cc1ccc(C[C@@]2(C)CCCO2)cc1	21991381	572712699	/nfs/dbraw/zinc/71/26/99/572712699.db2.gz	CIWHOPSLMNPSPB-CYBMUJFWSA-N	0	0	190.286	3.107	10	0		AGAERN
CCC[C@@H]1CCC(=O)[C@H](CCF)C1	87776225	572713049	/nfs/dbraw/zinc/71/30/49/572713049.db2.gz	WBHLHMJYVWEWOR-NXEZZACHSA-N	0	0	186.270	3.132	10	0		AGAERN
CC/C=C\CCSCCSC	307879624	572713476	/nfs/dbraw/zinc/71/34/76/572713476.db2.gz	PMQZNGYIELVGCE-PLNGDYQASA-N	0	0	190.377	3.439	10	0		AGAERN
C[NH2+]Cc1cc(C(C)C)oc1C(C)C	77078393	572713504	/nfs/dbraw/zinc/71/35/04/572713504.db2.gz	TXNZGRSXPZOJGM-UHFFFAOYSA-N	0	0	195.306	3.246	10	0		AGAERN
CC[C@@H](F)CSCCCSC	307880435	572713767	/nfs/dbraw/zinc/71/37/67/572713767.db2.gz	QIHSKDYXISNRBT-MRVPVSSYSA-N	0	0	196.356	3.221	10	0		AGAERN
CCC(=O)[C@@H]1CCCc2ccccc21	54669189	572714632	/nfs/dbraw/zinc/71/46/32/572714632.db2.gz	QUDCVASZIOTPQP-GFCCVEGCSA-N	0	0	188.270	3.086	10	0		AGAERN
C=C=C[C@H](O)CC[C@@H](C)CC=C(C)C	238437270	572714852	/nfs/dbraw/zinc/71/48/52/572714852.db2.gz	QRXGCDNACZBKDL-STQMWFEESA-N	0	0	194.318	3.461	10	0		AGAERN
CC(C)c1ccccc1OCCF	87777446	572715136	/nfs/dbraw/zinc/71/51/36/572715136.db2.gz	LBQVBRXFRJHDIQ-UHFFFAOYSA-N	0	0	182.238	3.158	10	0		AGAERN
C/C=C/CCCCCC(C)=O	307877871	572715355	/nfs/dbraw/zinc/71/53/55/572715355.db2.gz	WPOADASQDBMYLG-ONEGZZNKSA-N	0	0	154.253	3.102	10	0		AGAERN
CCC(=O)[C@H]1CCCc2ccccc21	54669190	572715614	/nfs/dbraw/zinc/71/56/14/572715614.db2.gz	QUDCVASZIOTPQP-LBPRGKRZSA-N	0	0	188.270	3.086	10	0		AGAERN
CC(C)(C)c1ccccc1OCCF	87777447	572715657	/nfs/dbraw/zinc/71/56/57/572715657.db2.gz	LERUXAKCJVAHSY-UHFFFAOYSA-N	0	0	196.265	3.332	10	0		AGAERN
C/C=C\CSCC=C1CCC1	307878129	572716504	/nfs/dbraw/zinc/71/65/04/572716504.db2.gz	PBWGOKYHGXQEBM-IHWYPQMZSA-N	0	0	168.305	3.406	10	0		AGAERN
CC(C)=CCC[C@@H](C)[C@H](C)CCO	238435525	572716536	/nfs/dbraw/zinc/71/65/36/572716536.db2.gz	RFVHFXBHIFSDGL-VXGBXAGGSA-N	0	0	184.323	3.387	10	0		AGAERN
CC(C)=CCC[C@H](C)[C@H](C)CCO	238435206	572716547	/nfs/dbraw/zinc/71/65/47/572716547.db2.gz	RFVHFXBHIFSDGL-NWDGAFQWSA-N	0	0	184.323	3.387	10	0		AGAERN
CCc1ccc(/C=C(\C)[C@@H](C)O)s1	308098399	572717083	/nfs/dbraw/zinc/71/70/83/572717083.db2.gz	CBEOLJHRVHETSN-FCZSHJHJSA-N	0	0	196.315	3.095	10	0		AGAERN
CCCC[C@@H](NCCC)C(F)(F)F	85277566	572719964	/nfs/dbraw/zinc/71/99/64/572719964.db2.gz	NJBXKFXJMMSFOL-MRVPVSSYSA-N	0	0	197.244	3.107	10	0		AGAERN
CC(=O)CCC[C@H]1CC[C@H](C)C1	238441144	572717728	/nfs/dbraw/zinc/71/77/28/572717728.db2.gz	XVSDQSOQBPEASK-ONGXEEELSA-N	0	0	168.280	3.182	10	0		AGAERN
C=C/C=C/[C@H](C)[C@@H](O)c1ccccc1	238437942	572717828	/nfs/dbraw/zinc/71/78/28/572717828.db2.gz	VPSCSNABRDCFPN-SGHLJCSCSA-N	0	0	188.270	3.098	10	0		AGAERN
CCCC[C@](CC)(NC)C(F)(F)F	85276437	572717883	/nfs/dbraw/zinc/71/78/83/572717883.db2.gz	NRWTWZGHJNQRDY-QMMMGPOBSA-N	0	0	197.244	3.107	10	0		AGAERN
C1CC(OCSC2CCCC2)C1	308099082	572718088	/nfs/dbraw/zinc/71/80/88/572718088.db2.gz	FORTVCAPMYKGHT-UHFFFAOYSA-N	0	0	186.320	3.189	10	0		AGAERN
CCCC[C@@H](CC)c1onc(N)c1C	85278228	572718116	/nfs/dbraw/zinc/71/81/16/572718116.db2.gz	KMAITGQBCKBMFD-SECBINFHSA-N	0	0	196.294	3.249	10	0		AGAERN
CCCCC[C@H](NCC)C(F)(F)F	85277227	572718160	/nfs/dbraw/zinc/71/81/60/572718160.db2.gz	YYFSONNPRKYCIV-QMMMGPOBSA-N	0	0	197.244	3.107	10	0		AGAERN
CCCC[C@@](CC)(NC)C(F)(F)F	85276440	572718910	/nfs/dbraw/zinc/71/89/10/572718910.db2.gz	NRWTWZGHJNQRDY-MRVPVSSYSA-N	0	0	197.244	3.107	10	0		AGAERN
CCCC[C@H](CC)c1onc(N)c1C	85278230	572718695	/nfs/dbraw/zinc/71/86/95/572718695.db2.gz	KMAITGQBCKBMFD-VIFPVBQESA-N	0	0	196.294	3.249	10	0		AGAERN
CCc1ccc(/C=C(\C)[C@H](C)O)s1	308098409	572718793	/nfs/dbraw/zinc/71/87/93/572718793.db2.gz	CBEOLJHRVHETSN-FLOXNTQESA-N	0	0	196.315	3.095	10	0		AGAERN
CCCN[C@](C)(CCC)C(F)(F)F	85277542	572719008	/nfs/dbraw/zinc/71/90/08/572719008.db2.gz	BASNMYRVCSOYBP-MRVPVSSYSA-N	0	0	197.244	3.107	10	0		AGAERN
CC(C)=CCC/C(C)=C\[C@H](C)CO	238438274	572719232	/nfs/dbraw/zinc/71/92/32/572719232.db2.gz	NEOQNZPYSMPEGF-KGTBHZDVSA-N	0	0	182.307	3.308	10	0		AGAERN
CCCNC(CC)(CC)C(F)(F)F	85277514	572719235	/nfs/dbraw/zinc/71/92/35/572719235.db2.gz	CMUXRCDANDEELN-UHFFFAOYSA-N	0	0	197.244	3.107	10	0		AGAERN
CCCCC[C@@H](NCC)C(F)(F)F	85277229	572720112	/nfs/dbraw/zinc/72/01/12/572720112.db2.gz	YYFSONNPRKYCIV-MRVPVSSYSA-N	0	0	197.244	3.107	10	0		AGAERN
CC(=O)CCC[C@@H]1CC[C@@H](C)C1	238442351	572719440	/nfs/dbraw/zinc/71/94/40/572719440.db2.gz	XVSDQSOQBPEASK-MWLCHTKSSA-N	0	0	168.280	3.182	10	0		AGAERN
C=C=C[C@@H](O)CC[C@@H](C)CC=C(C)C	238438232	572719462	/nfs/dbraw/zinc/71/94/62/572719462.db2.gz	QRXGCDNACZBKDL-QWHCGFSZSA-N	0	0	194.318	3.461	10	0		AGAERN
CCCN[C@@](C)(CCC)C(F)(F)F	85277539	572719557	/nfs/dbraw/zinc/71/95/57/572719557.db2.gz	BASNMYRVCSOYBP-QMMMGPOBSA-N	0	0	197.244	3.107	10	0		AGAERN
CCC[C@]1(O)CCC[C@@H](CC)C1	70652028	572720622	/nfs/dbraw/zinc/72/06/22/572720622.db2.gz	DXVVWCAMNSCGPR-MNOVXSKESA-N	0	0	170.296	3.118	10	0		AGAERN
CCC[C@]1(O)CCC[C@H](CC)C1	70652026	572722487	/nfs/dbraw/zinc/72/24/87/572722487.db2.gz	DXVVWCAMNSCGPR-QWRGUYRKSA-N	0	0	170.296	3.118	10	0		AGAERN
CC(C)=C/C=C/C=C(\C)[C@H](C)[C@H](C)O	238455346	572723427	/nfs/dbraw/zinc/72/34/27/572723427.db2.gz	WKIIPZXEEWYDJA-JTSRAKMOSA-N	0	0	194.318	3.472	10	0		AGAERN
CC(C)C[C@H](C)Oc1cccc(N)c1	87800133	572723459	/nfs/dbraw/zinc/72/34/59/572723459.db2.gz	NRRFXQXZKBZZBE-JTQLQIEISA-N	0	0	193.290	3.082	10	0		AGAERN
CSC1(Cn2c(C)ccc2C)CC1	235234153	572723494	/nfs/dbraw/zinc/72/34/94/572723494.db2.gz	LXVCNDAKXRZLJO-UHFFFAOYSA-N	0	0	195.331	3.001	10	0		AGAERN
CC(C)CCCOc1cccc(N)c1	87800182	572723521	/nfs/dbraw/zinc/72/35/21/572723521.db2.gz	ZRZGMBJZVYPWHU-UHFFFAOYSA-N	0	0	193.290	3.084	10	0		AGAERN
C[C@H](O)[C@@H](C)C[C@@H](C)c1ccccc1	238455800	572723567	/nfs/dbraw/zinc/72/35/67/572723567.db2.gz	VCFGBOZTGRRAQS-TUAOUCFPSA-N	0	0	192.302	3.197	10	0		AGAERN
CCCc1ccc2c(c1)[C@@H](O)CCC2	54743069	572723924	/nfs/dbraw/zinc/72/39/24/572723924.db2.gz	UTGUATBTZYPATO-ZDUSSCGKSA-N	0	0	190.286	3.009	10	0		AGAERN
C[C@@H]1C[C@H](O)c2cccc3cccc1c23	238456646	572724083	/nfs/dbraw/zinc/72/40/83/572724083.db2.gz	QKOQHWWKEXABSE-RNCFNFMXSA-N	0	0	198.265	3.380	10	0		AGAERN
COc1c2ccccc2cc2cc[nH]c12	238451975	572724539	/nfs/dbraw/zinc/72/45/39/572724539.db2.gz	QGWSICIOZWZMBD-UHFFFAOYSA-N	0	0	197.237	3.330	10	0		AGAERN
CC(C)C[C@@]1(O)CCCC(C)(C)C1	70684373	572725245	/nfs/dbraw/zinc/72/52/45/572725245.db2.gz	WJKKXUSONWQOHD-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1cccc2c(NC=O)ccc(C)c12	238454554	572725413	/nfs/dbraw/zinc/72/54/13/572725413.db2.gz	GTXRRJRMLUXVCF-UHFFFAOYSA-N	0	0	199.253	3.025	10	0		AGAERN
C[C@@H]1c2ccccc2-c2cc(N)ccc21	238452008	572725499	/nfs/dbraw/zinc/72/54/99/572725499.db2.gz	KXCXYQRVBAZCOH-SECBINFHSA-N	0	0	195.265	3.401	10	0		AGAERN
C/C=C\CCNc1ccnc(Cl)c1	308105784	572725749	/nfs/dbraw/zinc/72/57/49/572725749.db2.gz	FYSKHIHEEMWZPK-IHWYPQMZSA-N	0	0	196.681	3.113	10	0		AGAERN
CCC[C@]1(O)CCCC(C)(C)C1	70684201	572725902	/nfs/dbraw/zinc/72/59/02/572725902.db2.gz	PGNUCPRMOLHNKC-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
CC(C)(C)CCOc1cccc(F)n1	85319402	572726069	/nfs/dbraw/zinc/72/60/69/572726069.db2.gz	DQPCZPYISUOMLJ-UHFFFAOYSA-N	0	0	197.253	3.036	10	0		AGAERN
CCC[C@@]1(O)CCCC(C)(C)C1	70684204	572726574	/nfs/dbraw/zinc/72/65/74/572726574.db2.gz	PGNUCPRMOLHNKC-LLVKDONJSA-N	0	0	170.296	3.118	10	0		AGAERN
CC(C)C[C@]1(O)CCCC(C)(C)C1	70684358	572726685	/nfs/dbraw/zinc/72/66/85/572726685.db2.gz	WJKKXUSONWQOHD-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1oc(C(C)(C)C)c([C@@H](C)[NH3+])c1C	77089122	572727083	/nfs/dbraw/zinc/72/70/83/572727083.db2.gz	FFZLFAASOCFXIR-MRVPVSSYSA-N	0	0	195.306	3.214	10	0		AGAERN
C/C=C\CSc1ccc(C=O)cc1	308105792	572727375	/nfs/dbraw/zinc/72/73/75/572727375.db2.gz	VICCURKHZMMELG-IHWYPQMZSA-N	0	0	192.283	3.167	10	0		AGAERN
Cc1cc(CCc2ccccc2)ccn1	116529494	572727378	/nfs/dbraw/zinc/72/73/78/572727378.db2.gz	NRURBTLUGDCSMK-UHFFFAOYSA-N	0	0	197.281	3.175	10	0		AGAERN
CC(=O)c1c(C(C)(C)C)oc(C)c1C	77089119	572727546	/nfs/dbraw/zinc/72/75/46/572727546.db2.gz	YIHQXZLQWRRLMW-UHFFFAOYSA-N	0	0	194.274	3.397	10	0		AGAERN
C[C@H]1Cc2ccccc2N[C@@H]1C1CC1	70709629	572727719	/nfs/dbraw/zinc/72/77/19/572727719.db2.gz	HFDIAUXKVFLAJN-ZANVPECISA-N	0	0	187.286	3.069	10	0		AGAERN
CC(C)[C@H]1Nc2ccccc2C[C@H]1C	70709917	572727822	/nfs/dbraw/zinc/72/78/22/572727822.db2.gz	KWUQCPNGFTYOKC-ZWNOBZJWSA-N	0	0	189.302	3.315	10	0		AGAERN
Cc1oc(C(C)(C)C)c([C@H](C)[NH3+])c1C	77089123	572728513	/nfs/dbraw/zinc/72/85/13/572728513.db2.gz	FFZLFAASOCFXIR-QMMMGPOBSA-N	0	0	195.306	3.214	10	0		AGAERN
CC(C)c1oc2c(c1C=O)CCCC2	77090360	572728767	/nfs/dbraw/zinc/72/87/67/572728767.db2.gz	UGXIKJZPTGZYHX-UHFFFAOYSA-N	0	0	192.258	3.094	10	0		AGAERN
Cc1oc(C(C)(C)C)c(C=O)c1C	77089041	572728887	/nfs/dbraw/zinc/72/88/87/572728887.db2.gz	KLIWAOITEGFOOC-UHFFFAOYSA-N	0	0	180.247	3.006	10	0		AGAERN
CC/C=C(/CCC)[C@@H](C)C(C)=O	307890750	572730001	/nfs/dbraw/zinc/73/00/01/572730001.db2.gz	HUGLVBPLWYVFFT-MKVDPYIPSA-N	0	0	168.280	3.348	10	0		AGAERN
CC(=O)c1c(C(C)C)oc2c1CCC2	77089784	572729206	/nfs/dbraw/zinc/72/92/06/572729206.db2.gz	NXAUDMFFDHCFQZ-UHFFFAOYSA-N	0	0	192.258	3.094	10	0		AGAERN
CC1=CCC[C@]2(C)CC(=O)CC[C@@H]12	196660699	572730031	/nfs/dbraw/zinc/73/00/31/572730031.db2.gz	NBHKNHAIXORYMW-NWDGAFQWSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)[C@H]1CC[C@@]2(C)CC[C@@H](O)C=C12	196662984	572729927	/nfs/dbraw/zinc/72/99/27/572729927.db2.gz	QCSVWCBTSZGDSJ-NQBHXWOUSA-N	0	0	194.318	3.140	10	0		AGAERN
CC1=CCC[C@@]2(C)CC(=O)CC[C@@H]12	196660688	572729952	/nfs/dbraw/zinc/72/99/52/572729952.db2.gz	NBHKNHAIXORYMW-RYUDHWBXSA-N	0	0	178.275	3.102	10	0		AGAERN
C/C(=C/C/C=C/CO)c1ccccc1	238468949	572729969	/nfs/dbraw/zinc/72/99/69/572729969.db2.gz	KASQLYIMNYFIJT-LDFFKZMUSA-N	0	0	188.270	3.029	10	0		AGAERN
C[C@H]1Cc2ccccc2N[C@H]1C1CC1	70709633	572730163	/nfs/dbraw/zinc/73/01/63/572730163.db2.gz	HFDIAUXKVFLAJN-TVQRCGJNSA-N	0	0	187.286	3.069	10	0		AGAERN
O=C1CC[C@@]23CCCC[C@@]12CCC3	196669804	572730184	/nfs/dbraw/zinc/73/01/84/572730184.db2.gz	RCMHMMFHMZTDPB-NWDGAFQWSA-N	0	0	178.275	3.080	10	0		AGAERN
CC(C)[C@@H]1CC[C@]2(C)CC[C@@H](O)C=C12	196662991	572730218	/nfs/dbraw/zinc/73/02/18/572730218.db2.gz	QCSVWCBTSZGDSJ-MDZLAQPJSA-N	0	0	194.318	3.140	10	0		AGAERN
CC(C)[C@H]1Nc2ccccc2C[C@@H]1C	70709920	572730240	/nfs/dbraw/zinc/73/02/40/572730240.db2.gz	KWUQCPNGFTYOKC-GXFFZTMASA-N	0	0	189.302	3.315	10	0		AGAERN
CSc1ccc2c(c1C)C[C@@H](C)N2	713740567	572730443	/nfs/dbraw/zinc/73/04/43/572730443.db2.gz	FSVSTTCLARCPHD-SSDOTTSWSA-N	0	0	193.315	3.073	10	0		AGAERN
C[C@@H]1Cc2ccccc2N[C@@H]1C1CC1	70709626	572730690	/nfs/dbraw/zinc/73/06/90/572730690.db2.gz	HFDIAUXKVFLAJN-RNCFNFMXSA-N	0	0	187.286	3.069	10	0		AGAERN
CC(C)[C@@H]1Nc2ccccc2C[C@H]1C	70709923	572730867	/nfs/dbraw/zinc/73/08/67/572730867.db2.gz	KWUQCPNGFTYOKC-MFKMUULPSA-N	0	0	189.302	3.315	10	0		AGAERN
C[C@@H]1Cc2ccccc2N[C@H]1C1CC1	70709631	572730924	/nfs/dbraw/zinc/73/09/24/572730924.db2.gz	HFDIAUXKVFLAJN-NOZJJQNGSA-N	0	0	187.286	3.069	10	0		AGAERN
CCC[C@H](C)Nc1ccc(O)cc1C	70735645	572734049	/nfs/dbraw/zinc/73/40/49/572734049.db2.gz	JWXOOTUPDJFRDA-JTQLQIEISA-N	0	0	193.290	3.301	10	0		AGAERN
CSc1ccc2c(c1C)C[C@H](C)N2	713740568	572731530	/nfs/dbraw/zinc/73/15/30/572731530.db2.gz	FSVSTTCLARCPHD-ZETCQYMHSA-N	0	0	193.315	3.073	10	0		AGAERN
Cc1ccc(C)c([C@@H]2CCC(=O)C2)c1	70738121	572731542	/nfs/dbraw/zinc/73/15/42/572731542.db2.gz	QICFSDJWXUXADK-LLVKDONJSA-N	0	0	188.270	3.140	10	0		AGAERN
CC(C)[C@@H]1CC[C@@]2(C)CC[C@@H](O)C=C12	196662978	572731695	/nfs/dbraw/zinc/73/16/95/572731695.db2.gz	QCSVWCBTSZGDSJ-NTZNESFSSA-N	0	0	194.318	3.140	10	0		AGAERN
CC(C)C[C@@H]1S[C@H]1C(C)C	196662997	572731748	/nfs/dbraw/zinc/73/17/48/572731748.db2.gz	QNVBKGZOCPBZRI-IUCAKERBSA-N	0	0	158.310	3.173	10	0		AGAERN
CCC[C@@H](C)Nc1ccc(O)cc1C	70735643	572732140	/nfs/dbraw/zinc/73/21/40/572732140.db2.gz	JWXOOTUPDJFRDA-SNVBAGLBSA-N	0	0	193.290	3.301	10	0		AGAERN
CCC[C@H](O)/C=C\C=C(Cl)Cl	307894297	572733095	/nfs/dbraw/zinc/73/30/95/572733095.db2.gz	IVMSYFUHGINUBX-GLCRXLCDSA-N	0	0	195.089	3.023	10	0		AGAERN
CC(C)SC[C@@H](C)C(F)(F)F	307629461	572732216	/nfs/dbraw/zinc/73/22/16/572732216.db2.gz	LIZXPQWUKNOJPJ-ZCFIWIBFSA-N	0	0	186.242	3.326	10	0		AGAERN
C/C=C/Cn1cc(C=O)c2ccccc21	70735369	572732236	/nfs/dbraw/zinc/73/22/36/572732236.db2.gz	NDHGWNZZLPZMHB-NSCUHMNNSA-N	0	0	199.253	3.030	10	0		AGAERN
CCC/C(CC)=C(/C)C(=O)OCC	308106567	572732400	/nfs/dbraw/zinc/73/24/00/572732400.db2.gz	QVBCNISIMGXWPL-KTKRTIGZSA-N	0	0	184.279	3.076	10	0		AGAERN
CC/C=C(/CCC)[C@H](C)C(C)=O	307890749	572732413	/nfs/dbraw/zinc/73/24/13/572732413.db2.gz	HUGLVBPLWYVFFT-MDXIRLPMSA-N	0	0	168.280	3.348	10	0		AGAERN
O=C1CC[C@]23CCCC[C@]12CCC3	196669811	572732531	/nfs/dbraw/zinc/73/25/31/572732531.db2.gz	RCMHMMFHMZTDPB-NEPJUHHUSA-N	0	0	178.275	3.080	10	0		AGAERN
CC[C@H](C)CCCC/C=C\CO	308110211	572732579	/nfs/dbraw/zinc/73/25/79/572732579.db2.gz	JPVBHSDHMBUBCU-JYKYSHPRSA-N	0	0	170.296	3.141	10	0		AGAERN
Cc1cc(C=O)c(C(C)(C)C)s1	77093392	572732889	/nfs/dbraw/zinc/73/28/89/572732889.db2.gz	YYWYNSWQKUDTHH-UHFFFAOYSA-N	0	0	182.288	3.167	10	0		AGAERN
CC1=CCC[C@]2(C)CC(=O)CC[C@H]12	196660680	572732706	/nfs/dbraw/zinc/73/27/06/572732706.db2.gz	NBHKNHAIXORYMW-VXGBXAGGSA-N	0	0	178.275	3.102	10	0		AGAERN
C/C=C/Cn1ccc2c(C=O)cccc21	70735337	572732796	/nfs/dbraw/zinc/73/27/96/572732796.db2.gz	AZPXLPFOAZDTBO-NSCUHMNNSA-N	0	0	199.253	3.030	10	0		AGAERN
CC(C)CC[C@H]1CCCC(=O)C1	70737460	572732902	/nfs/dbraw/zinc/73/29/02/572732902.db2.gz	PIGBSANYUUUPIC-SNVBAGLBSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)CC[C@@H]1CCCC(=O)C1	70737458	572732917	/nfs/dbraw/zinc/73/29/17/572732917.db2.gz	PIGBSANYUUUPIC-JTQLQIEISA-N	0	0	168.280	3.182	10	0		AGAERN
C[C@@H]1Cc2cccc([C@H]3C=CCC3)c2N1	238470638	572732957	/nfs/dbraw/zinc/73/29/57/572732957.db2.gz	AZRFRGXYRFHYHB-MNOVXSKESA-N	0	0	199.297	3.477	10	0		AGAERN
CC[C@H](C)CCCC/C=C/CO	308110210	572733063	/nfs/dbraw/zinc/73/30/63/572733063.db2.gz	JPVBHSDHMBUBCU-IOCXFXADSA-N	0	0	170.296	3.141	10	0		AGAERN
CC(C)SC[C@H](C)C(F)(F)F	307629460	572733377	/nfs/dbraw/zinc/73/33/77/572733377.db2.gz	LIZXPQWUKNOJPJ-LURJTMIESA-N	0	0	186.242	3.326	10	0		AGAERN
CCCSc1cccc(NCC)n1	87850102	572733806	/nfs/dbraw/zinc/73/38/06/572733806.db2.gz	FNLDPVWORXBFRP-UHFFFAOYSA-N	0	0	196.319	3.016	10	0		AGAERN
Cc1sc(-c2ccccc2)cc1N	77093602	572734807	/nfs/dbraw/zinc/73/48/07/572734807.db2.gz	OMKSUPNFVZNZMI-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
CCC[C@H](O)CC/C(C)=C\Cl	307888304	572734421	/nfs/dbraw/zinc/73/44/21/572734421.db2.gz	ZLIXTQJDVULVFW-FUOZMLNRSA-N	0	0	176.687	3.070	10	0		AGAERN
CCC(CC)C[C@H](O)c1ccns1	404476708	572734810	/nfs/dbraw/zinc/73/48/10/572734810.db2.gz	RWXYMHJROKAIAO-VIFPVBQESA-N	0	0	199.319	3.003	10	0		AGAERN
CCCCSc1cccc(NC)n1	87850514	572734832	/nfs/dbraw/zinc/73/48/32/572734832.db2.gz	GWYAOMIZFRKEBN-UHFFFAOYSA-N	0	0	196.319	3.016	10	0		AGAERN
C[C@@H]1Cc2cccc([C@@H]3C=CCC3)c2N1	238470670	572734880	/nfs/dbraw/zinc/73/48/80/572734880.db2.gz	AZRFRGXYRFHYHB-GHMZBOCLSA-N	0	0	199.297	3.477	10	0		AGAERN
CCC[C@@H](O)CC/C(C)=C\Cl	307888306	572734917	/nfs/dbraw/zinc/73/49/17/572734917.db2.gz	ZLIXTQJDVULVFW-UFGYOYAJSA-N	0	0	176.687	3.070	10	0		AGAERN
C[C@@H]1Cc2cccc3cccc(c23)[C@H]1O	238469243	572735151	/nfs/dbraw/zinc/73/51/51/572735151.db2.gz	YUMZSAKECOWEQK-OTYXRUKQSA-N	0	0	198.265	3.065	10	0		AGAERN
CCC[C@@H](O)/C=C\C=C(Cl)Cl	307894301	572735173	/nfs/dbraw/zinc/73/51/73/572735173.db2.gz	IVMSYFUHGINUBX-YSCPKTQFSA-N	0	0	195.089	3.023	10	0		AGAERN
C[C@@H]1Cc2cccc3cccc(c23)[C@@H]1O	238469232	572735223	/nfs/dbraw/zinc/73/52/23/572735223.db2.gz	YUMZSAKECOWEQK-YMTOWFKASA-N	0	0	198.265	3.065	10	0		AGAERN
Cc1nccc(-c2ccc(C)c(C)c2)n1	117657312	572735333	/nfs/dbraw/zinc/73/53/33/572735333.db2.gz	SXGWWUSUCHXPHC-UHFFFAOYSA-N	0	0	198.269	3.069	10	0		AGAERN
CC(=O)c1cc(C)sc1C(C)C	77093379	572735354	/nfs/dbraw/zinc/73/53/54/572735354.db2.gz	PIZIRXHNLGWNGG-UHFFFAOYSA-N	0	0	182.288	3.383	10	0		AGAERN
O[C@H](CC/C=C\Cl)c1ccccc1	308108321	572735532	/nfs/dbraw/zinc/73/55/32/572735532.db2.gz	WNPVAJAZRKHPOM-YOOZJCNJSA-N	0	0	196.677	3.253	10	0		AGAERN
CC(=O)CC[C@H]1CCC[C@@H](C)C1	70738773	572735648	/nfs/dbraw/zinc/73/56/48/572735648.db2.gz	KRDNWLCHKSIFID-MWLCHTKSSA-N	0	0	168.280	3.182	10	0		AGAERN
O=C1CC[C@H](CCc2cccs2)C1	70738321	572735731	/nfs/dbraw/zinc/73/57/31/572735731.db2.gz	SSXXCEYGCYLNKV-SECBINFHSA-N	0	0	194.299	3.050	10	0		AGAERN
CC(=O)CC[C@@H]1CCC[C@@H](C)C1	70738775	572736099	/nfs/dbraw/zinc/73/60/99/572736099.db2.gz	KRDNWLCHKSIFID-KOLCDFICSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCNc1cccc(SCC)n1	87849914	572736308	/nfs/dbraw/zinc/73/63/08/572736308.db2.gz	AIFFCRFWAJJPSM-UHFFFAOYSA-N	0	0	196.319	3.016	10	0		AGAERN
CCC(=O)CCCCC(C)C	70739135	572736328	/nfs/dbraw/zinc/73/63/28/572736328.db2.gz	SKPIQDUAOCPICO-UHFFFAOYSA-N	0	0	156.269	3.182	10	0		AGAERN
CCc1sc(C(C)C)cc1N	77096150	572736428	/nfs/dbraw/zinc/73/64/28/572736428.db2.gz	BGAQAWUDSMJSJM-UHFFFAOYSA-N	0	0	169.293	3.016	10	0		AGAERN
Cc1cccc([C@H]2CCC(=O)C2)c1C	70738366	572736580	/nfs/dbraw/zinc/73/65/80/572736580.db2.gz	RFMFXAJXAKARPX-NSHDSACASA-N	0	0	188.270	3.140	10	0		AGAERN
CC(=O)CCCc1cc(C)cc(C)c1	70738809	572736584	/nfs/dbraw/zinc/73/65/84/572736584.db2.gz	DETKXUHUWCISJA-UHFFFAOYSA-N	0	0	190.286	3.215	10	0		AGAERN
C=C/C(C)=C\C[C@H](O)c1ccccc1	238475728	572736594	/nfs/dbraw/zinc/73/65/94/572736594.db2.gz	HQVPFTDGNGRKSR-FUWURINLSA-N	0	0	188.270	3.242	10	0		AGAERN
CC[C@H](C)CCCC(=O)C(C)C	70739726	572736785	/nfs/dbraw/zinc/73/67/85/572736785.db2.gz	AYPGZOALJFMKNP-JTQLQIEISA-N	0	0	170.296	3.428	10	0		AGAERN
CC(=O)CC[C@H]1CCC[C@H](C)C1	70738774	572736818	/nfs/dbraw/zinc/73/68/18/572736818.db2.gz	KRDNWLCHKSIFID-GXSJLCMTSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(=O)CC[C@@H]1CCC[C@H](C)C1	70738777	572736933	/nfs/dbraw/zinc/73/69/33/572736933.db2.gz	KRDNWLCHKSIFID-ONGXEEELSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC/C=C/C(C)(C)C(=O)CC	307889178	572736934	/nfs/dbraw/zinc/73/69/34/572736934.db2.gz	FTZVLDHDQQRUCI-CMDGGOBGSA-N	0	0	168.280	3.348	10	0		AGAERN
CCC/C=C/CCC(=O)CCC	307890222	572736945	/nfs/dbraw/zinc/73/69/45/572736945.db2.gz	HDNCTXHWBCXSMS-VOTSOKGWSA-N	0	0	168.280	3.492	10	0		AGAERN
CCc1sc(C(C)(C)C)cc1N	77096218	572736986	/nfs/dbraw/zinc/73/69/86/572736986.db2.gz	UTKOFCATEZCSER-UHFFFAOYSA-N	0	0	183.320	3.190	10	0		AGAERN
CC[C@H]1CC[C@H](Nc2cccnc2)C1	70747632	572737033	/nfs/dbraw/zinc/73/70/33/572737033.db2.gz	NNRGUPKQVIOVLF-QWRGUYRKSA-N	0	0	190.290	3.072	10	0		AGAERN
CC[C@@H]1CC[C@H](Nc2cccnc2)C1	70747631	572737047	/nfs/dbraw/zinc/73/70/47/572737047.db2.gz	NNRGUPKQVIOVLF-MNOVXSKESA-N	0	0	190.290	3.072	10	0		AGAERN
CCC(CC)CC(=O)C(C)(C)F	308107868	572737234	/nfs/dbraw/zinc/73/72/34/572737234.db2.gz	IQQBLEFOJGULBR-UHFFFAOYSA-N	0	0	174.259	3.130	10	0		AGAERN
CCc1sc(C(C)(C)C)cc1CO	77096152	572737335	/nfs/dbraw/zinc/73/73/35/572737335.db2.gz	DHVPQDIFJWUURU-UHFFFAOYSA-N	0	0	198.331	3.100	10	0		AGAERN
CC[C@@H]1CC[C@@H](Nc2cccnc2)C1	70747635	572737359	/nfs/dbraw/zinc/73/73/59/572737359.db2.gz	NNRGUPKQVIOVLF-GHMZBOCLSA-N	0	0	190.290	3.072	10	0		AGAERN
CC[C@H]1CC[C@@H](Nc2cccnc2)C1	70747636	572737367	/nfs/dbraw/zinc/73/73/67/572737367.db2.gz	NNRGUPKQVIOVLF-WDEREUQCSA-N	0	0	190.290	3.072	10	0		AGAERN
CCc1sc(C(C)(C)C)cc1C[NH3+]	77096173	572737370	/nfs/dbraw/zinc/73/73/70/572737370.db2.gz	AFKFNLHIXSAJJL-UHFFFAOYSA-N	0	0	197.347	3.067	10	0		AGAERN
CCc1sc(C(C)C)cc1C=O	77096065	572737505	/nfs/dbraw/zinc/73/75/05/572737505.db2.gz	OEDSUESSYLVSMW-UHFFFAOYSA-N	0	0	182.288	3.246	10	0		AGAERN
O[C@@H](CC/C=C\Cl)c1ccccc1	308108320	572737546	/nfs/dbraw/zinc/73/75/46/572737546.db2.gz	WNPVAJAZRKHPOM-GWZUUTHWSA-N	0	0	196.677	3.253	10	0		AGAERN
CCCCC[C@@H](O)C1(CC)CC1	308107778	572737676	/nfs/dbraw/zinc/73/76/76/572737676.db2.gz	INTMSHLXLVYWGR-SNVBAGLBSA-N	0	0	170.296	3.118	10	0		AGAERN
CCCCCS[C@@H]1CCCO1	307890085	572737735	/nfs/dbraw/zinc/73/77/35/572737735.db2.gz	YOLPWSWUVZWIFU-SECBINFHSA-N	0	0	174.309	3.046	10	0		AGAERN
CCc1sc(C(C)(C)C)cc1C=O	77096154	572737759	/nfs/dbraw/zinc/73/77/59/572737759.db2.gz	SNJBMWYMSPHCTM-UHFFFAOYSA-N	0	0	196.315	3.421	10	0		AGAERN
C=C/C=C/[C@H](O)CC/C=C(/C)C=C	238475530	572737943	/nfs/dbraw/zinc/73/79/43/572737943.db2.gz	IVEGXSNTWTUZBC-IASZUHDLSA-N	0	0	178.275	3.002	10	0		AGAERN
O=C1CC[C@@H](CCc2cccs2)C1	70738320	572737947	/nfs/dbraw/zinc/73/79/47/572737947.db2.gz	SSXXCEYGCYLNKV-VIFPVBQESA-N	0	0	194.299	3.050	10	0		AGAERN
CCCCC[C@H](O)C1(CC)CC1	308107776	572737950	/nfs/dbraw/zinc/73/79/50/572737950.db2.gz	INTMSHLXLVYWGR-JTQLQIEISA-N	0	0	170.296	3.118	10	0		AGAERN
Cc1cccc([C@@H]2CCC(=O)C2)c1C	70738365	572738077	/nfs/dbraw/zinc/73/80/77/572738077.db2.gz	RFMFXAJXAKARPX-LLVKDONJSA-N	0	0	188.270	3.140	10	0		AGAERN
C=COC[C@H](C)C1CCCCC1	207611662	572738409	/nfs/dbraw/zinc/73/84/09/572738409.db2.gz	IEJXGGKRUOURIJ-JTQLQIEISA-N	0	0	168.280	3.363	10	0		AGAERN
C=C/C=C(/C)C[C@H](O)c1ccccc1	238480007	572739494	/nfs/dbraw/zinc/73/94/94/572739494.db2.gz	LNJDZKMJRIOOLZ-YLBKJLTLSA-N	0	0	188.270	3.242	10	0		AGAERN
C[C@H](O)[C@H](C)C[C@@H](C)c1ccccc1	238481832	572738717	/nfs/dbraw/zinc/73/87/17/572738717.db2.gz	VCFGBOZTGRRAQS-UTUOFQBUSA-N	0	0	192.302	3.197	10	0		AGAERN
CC(=O)CCC[C@@H]1CC[C@H](C)C1	238482762	572739091	/nfs/dbraw/zinc/73/90/91/572739091.db2.gz	XVSDQSOQBPEASK-GXSJLCMTSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1ccc(OC2CC2)c2cccnc12	238483299	572739172	/nfs/dbraw/zinc/73/91/72/572739172.db2.gz	WJHFFHQVKCXVLS-UHFFFAOYSA-N	0	0	199.253	3.084	10	0		AGAERN
Cc1cc(C)c(Nc2ccccc2)cn1	238483924	572739196	/nfs/dbraw/zinc/73/91/96/572739196.db2.gz	VKQDPBLJELDCBM-UHFFFAOYSA-N	0	0	198.269	3.442	10	0		AGAERN
O[C@@H]1CC[C@@H](CC2CCCCC2)C1	70771941	572739504	/nfs/dbraw/zinc/73/95/04/572739504.db2.gz	IUWXQGMKXQGAHS-NWDGAFQWSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@H]1CC[C@@](O)([C@H]2CCC[C@@H](C)C2)C1	70765005	572739761	/nfs/dbraw/zinc/73/97/61/572739761.db2.gz	DVALPYSWEFAVGF-VOAKCMCISA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1cc(O)cc(C)c1-c1ccncc1	238478322	572739740	/nfs/dbraw/zinc/73/97/40/572739740.db2.gz	RPUCPYMJXORMBM-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
C=C/C=C(/C)C[C@@H](O)c1ccccc1	238479764	572740452	/nfs/dbraw/zinc/74/04/52/572740452.db2.gz	LNJDZKMJRIOOLZ-LWMSPQMPSA-N	0	0	188.270	3.242	10	0		AGAERN
Cc1ncccc1CCc1ccccc1	116531967	572740548	/nfs/dbraw/zinc/74/05/48/572740548.db2.gz	ZWESJUXTPBJXJH-UHFFFAOYSA-N	0	0	197.281	3.175	10	0		AGAERN
CC[C@@H]1CCC[C@H]([C@@H]2CC[C@H](O)C2)C1	70771738	572740580	/nfs/dbraw/zinc/74/05/80/572740580.db2.gz	ABCVRZHYLAXUML-XQHKEYJVSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1[C@@H]1CC[C@H](O)C1	70772867	572742266	/nfs/dbraw/zinc/74/22/66/572742266.db2.gz	BLJFVBDQHRUWST-NDBYEHHHSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1cccc([C@@H]2CCC[C@@H](O)C2)c1	70773770	572741833	/nfs/dbraw/zinc/74/18/33/572741833.db2.gz	QWXBZTOFIISPAS-CHWSQXEVSA-N	0	0	190.286	3.014	10	0		AGAERN
Cc1ccccc1[C@@H]1CCC[C@@H](O)C1	70774437	572741912	/nfs/dbraw/zinc/74/19/12/572741912.db2.gz	UZGXVUIFCNOKIG-VXGBXAGGSA-N	0	0	190.286	3.014	10	0		AGAERN
Cc1ccccc1[C@H]1CCC[C@H](O)C1	70774435	572741946	/nfs/dbraw/zinc/74/19/46/572741946.db2.gz	UZGXVUIFCNOKIG-RYUDHWBXSA-N	0	0	190.286	3.014	10	0		AGAERN
CC(C)(C)CC[C@@H]1CCC[C@H](O)C1	70773894	572741975	/nfs/dbraw/zinc/74/19/75/572741975.db2.gz	MGTIYWZXXWYQPM-QWRGUYRKSA-N	0	0	184.323	3.364	10	0		AGAERN
O[C@H]1CCC[C@@H](CC2CCCC2)C1	70773070	572741990	/nfs/dbraw/zinc/74/19/90/572741990.db2.gz	LCWZAZYGIRZHNH-RYUDHWBXSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1cccc(Cc2ccccc2N)c1	238489854	572742028	/nfs/dbraw/zinc/74/20/28/572742028.db2.gz	QSNRGBXWUAIGDT-UHFFFAOYSA-N	0	0	197.281	3.168	10	0		AGAERN
CC(C)(C)CC[C@H]1CCC[C@@H](O)C1	70773906	572742045	/nfs/dbraw/zinc/74/20/45/572742045.db2.gz	MGTIYWZXXWYQPM-GHMZBOCLSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1ccc([C@@H](C)n2cccc2)s1	49185881	572742088	/nfs/dbraw/zinc/74/20/88/572742088.db2.gz	HZPRCSHTKRYYQK-SNVBAGLBSA-N	0	0	191.299	3.467	10	0		AGAERN
CC(C)(C)CC[C@H]1CCC[C@H](O)C1	70773897	572742090	/nfs/dbraw/zinc/74/20/90/572742090.db2.gz	MGTIYWZXXWYQPM-MNOVXSKESA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@H]1CCC[C@H]([C@@H]2CCC[C@H](O)C2)C1	70773221	572742095	/nfs/dbraw/zinc/74/20/95/572742095.db2.gz	CUEBKVLXMPVLIF-XQHKEYJVSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)(C)CC[C@@H]1CCC[C@@H](O)C1	70773900	572742110	/nfs/dbraw/zinc/74/21/10/572742110.db2.gz	MGTIYWZXXWYQPM-WDEREUQCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCCC[C@@H]1CCC[C@H](O)C1	70773556	572742208	/nfs/dbraw/zinc/74/22/08/572742208.db2.gz	LLRFGKHTSLUEKW-MNOVXSKESA-N	0	0	170.296	3.118	10	0		AGAERN
Cc1ccccc1[C@@H]1CCC[C@H](O)C1	70774433	572742221	/nfs/dbraw/zinc/74/22/21/572742221.db2.gz	UZGXVUIFCNOKIG-NEPJUHHUSA-N	0	0	190.286	3.014	10	0		AGAERN
O[C@H]1CCC[C@H](CC2CCCC2)C1	70773072	572742244	/nfs/dbraw/zinc/74/22/44/572742244.db2.gz	LCWZAZYGIRZHNH-NEPJUHHUSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1cccc([C@H]2CCC[C@@H](O)C2)c1	70773773	572742325	/nfs/dbraw/zinc/74/23/25/572742325.db2.gz	QWXBZTOFIISPAS-QWHCGFSZSA-N	0	0	190.286	3.014	10	0		AGAERN
Cc1ccc([C@H](C)n2cccc2)s1	49185882	572742327	/nfs/dbraw/zinc/74/23/27/572742327.db2.gz	HZPRCSHTKRYYQK-JTQLQIEISA-N	0	0	191.299	3.467	10	0		AGAERN
O[C@@H]1CCC[C@H](CC2CCCC2)C1	70773075	572742404	/nfs/dbraw/zinc/74/24/04/572742404.db2.gz	LCWZAZYGIRZHNH-VXGBXAGGSA-N	0	0	182.307	3.118	10	0		AGAERN
O[C@@H]1CCC[C@@H](CC2CCCC2)C1	70773074	572742410	/nfs/dbraw/zinc/74/24/10/572742410.db2.gz	LCWZAZYGIRZHNH-NWDGAFQWSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1cccc([C@@H]2CCC[C@H](O)C2)c1	70773765	572742414	/nfs/dbraw/zinc/74/24/14/572742414.db2.gz	QWXBZTOFIISPAS-OLZOCXBDSA-N	0	0	190.286	3.014	10	0		AGAERN
Cc1ccccc1[C@H]1CCC[C@@H](O)C1	70774440	572742417	/nfs/dbraw/zinc/74/24/17/572742417.db2.gz	UZGXVUIFCNOKIG-NWDGAFQWSA-N	0	0	190.286	3.014	10	0		AGAERN
Cc1cccc([C@H]2CCC[C@H](O)C2)c1	70773768	572742518	/nfs/dbraw/zinc/74/25/18/572742518.db2.gz	QWXBZTOFIISPAS-STQMWFEESA-N	0	0	190.286	3.014	10	0		AGAERN
C[C@@H](Cc1ccsc1)n1cccc1	49185877	572743339	/nfs/dbraw/zinc/74/33/39/572743339.db2.gz	QZSIGQNLIVLGAQ-JTQLQIEISA-N	0	0	191.299	3.353	10	0		AGAERN
C[C@H](Cc1ccsc1)n1cccc1	49185878	572743639	/nfs/dbraw/zinc/74/36/39/572743639.db2.gz	QZSIGQNLIVLGAQ-SNVBAGLBSA-N	0	0	191.299	3.353	10	0		AGAERN
CCCCC[C@@H](O)c1cnccc1C	85440414	572743869	/nfs/dbraw/zinc/74/38/69/572743869.db2.gz	OEOZTSSAYYOUIS-GFCCVEGCSA-N	0	0	193.290	3.004	10	0		AGAERN
CCC(=O)C/C=C/C(C)=C(C)C	307906535	572745420	/nfs/dbraw/zinc/74/54/20/572745420.db2.gz	DZMTXNCODPASGO-VOTSOKGWSA-N	0	0	166.264	3.268	10	0		AGAERN
CCCCC[C@H](O)c1cnccc1C	85440412	572745554	/nfs/dbraw/zinc/74/55/54/572745554.db2.gz	OEOZTSSAYYOUIS-LBPRGKRZSA-N	0	0	193.290	3.004	10	0		AGAERN
CC(=O)CC1=CCCCCC=C1	307906613	572745680	/nfs/dbraw/zinc/74/56/80/572745680.db2.gz	RHPNKMINITUDJW-UHFFFAOYSA-N	0	0	164.248	3.022	10	0		AGAERN
C[C@@H]1CC[C@@](O)(C2=CCCCC2)C1	235334197	572745833	/nfs/dbraw/zinc/74/58/33/572745833.db2.gz	OUMAIJKHCANKEE-PWSUYJOCSA-N	0	0	180.291	3.038	10	0		AGAERN
FCCc1cccc2ccccc12	167408876	572745861	/nfs/dbraw/zinc/74/58/61/572745861.db2.gz	CNMYBCRNRYOQRY-UHFFFAOYSA-N	0	0	174.218	3.352	10	0		AGAERN
CC1=CCCC=CCC(=O)CC1	307902775	572746252	/nfs/dbraw/zinc/74/62/52/572746252.db2.gz	JFJQQCMYHYLLAL-UHFFFAOYSA-N	0	0	164.248	3.022	10	0		AGAERN
CC/C(C)=C/CCC(=O)C1CC1	307903332	572746338	/nfs/dbraw/zinc/74/63/38/572746338.db2.gz	KOSAXIHRPNGYCA-WEVVVXLNSA-N	0	0	166.264	3.102	10	0		AGAERN
CC[C@](C)(O)Cc1cc(C)ccc1C	49257491	572746411	/nfs/dbraw/zinc/74/64/11/572746411.db2.gz	KSKFQNYYBWFFEN-ZDUSSCGKSA-N	0	0	192.302	3.007	10	0		AGAERN
CCSCCSC[C@@H](F)CC	307902455	572746833	/nfs/dbraw/zinc/74/68/33/572746833.db2.gz	ONMYGCDLYRBGNW-QMMMGPOBSA-N	0	0	196.356	3.221	10	0		AGAERN
CCC/C=C(\CC)CC(=O)CC	307902258	572747680	/nfs/dbraw/zinc/74/76/80/572747680.db2.gz	IIUZWPNIKFFOJU-CSKARUKUSA-N	0	0	168.280	3.492	10	0		AGAERN
C[C@H]1CCC=CCCCCC1=O	307902225	572748060	/nfs/dbraw/zinc/74/80/60/572748060.db2.gz	IEHIIMFWHTWLGO-JTQLQIEISA-N	0	0	166.264	3.102	10	0		AGAERN
C[C@H]1C[C@](O)(CCC2CC2)CC[C@H]1C	235334782	572748191	/nfs/dbraw/zinc/74/81/91/572748191.db2.gz	KFGDLCVSBSPPBZ-NTZNESFSSA-N	0	0	196.334	3.364	10	0		AGAERN
O=C1CCC=CCCCCCC1	307904728	572749137	/nfs/dbraw/zinc/74/91/37/572749137.db2.gz	OIMHVJRCQXQYFV-UHFFFAOYSA-N	0	0	166.264	3.246	10	0		AGAERN
Cc1ccc(C)n1C(C1CC1)C1CC1	49236883	572749246	/nfs/dbraw/zinc/74/92/46/572749246.db2.gz	OTVGKCIQLBYLAS-UHFFFAOYSA-N	0	0	189.302	3.466	10	0		AGAERN
C=C/C(C)=C/C=C\CCC(C)=O	307905504	572749319	/nfs/dbraw/zinc/74/93/19/572749319.db2.gz	PGNJTANJTRTIIV-UGXDAERVSA-N	0	0	164.248	3.044	10	0		AGAERN
CC(C)c1csc(-n2cccc2)n1	49236881	572749432	/nfs/dbraw/zinc/74/94/32/572749432.db2.gz	XXRVYIATAJFIIZ-UHFFFAOYSA-N	0	0	192.287	3.057	10	0		AGAERN
C[C@@H]1CC[C@@](O)(C2=CCCCCC2)C1	235334381	572749770	/nfs/dbraw/zinc/74/97/70/572749770.db2.gz	HMWXFNWYQWNYEO-YPMHNXCESA-N	0	0	194.318	3.428	10	0		AGAERN
C/C=C/C(C)(C)C(=O)CCCC	307904198	572749997	/nfs/dbraw/zinc/74/99/97/572749997.db2.gz	MRQWHXKLUZMOQB-RMKNXTFCSA-N	0	0	168.280	3.348	10	0		AGAERN
COCOc1cc(C(C)C)ccc1C	87924072	572750038	/nfs/dbraw/zinc/75/00/38/572750038.db2.gz	MDJCEJGBFRJTOZ-UHFFFAOYSA-N	0	0	194.274	3.101	10	0		AGAERN
Cc1ccc(C)c(OCCC2CC2)c1	87924067	572750680	/nfs/dbraw/zinc/75/06/80/572750680.db2.gz	NGCUIMHEXLFSBX-UHFFFAOYSA-N	0	0	190.286	3.482	10	0		AGAERN
Cc1c(O)ccc2cc3c(cc12)CCC3	238510101	572750721	/nfs/dbraw/zinc/75/07/21/572750721.db2.gz	LHQDGWOUXDWBLJ-UHFFFAOYSA-N	0	0	198.265	3.343	10	0		AGAERN
Cc1ccc2oc(-c3ccc[nH]3)nc2c1	238502075	572750779	/nfs/dbraw/zinc/75/07/79/572750779.db2.gz	MYJLIPDTZXEMLZ-UHFFFAOYSA-N	0	0	198.225	3.131	10	0		AGAERN
Cc1ccc2c(c1)Nc1ncccc1O2	238502265	572751328	/nfs/dbraw/zinc/75/13/28/572751328.db2.gz	GPTGCBCYLLTRKI-UHFFFAOYSA-N	0	0	198.225	3.239	10	0		AGAERN
C/C=C\CNc1cccc(SC)c1	308112276	572751331	/nfs/dbraw/zinc/75/13/31/572751331.db2.gz	ZBVUYYYOHLVESB-ARJAWSKDSA-N	0	0	193.315	3.397	10	0		AGAERN
Cc1[nH]c2cnc3ccccc3c2c1C	238501492	572751335	/nfs/dbraw/zinc/75/13/35/572751335.db2.gz	DRERJRCWKPFALV-UHFFFAOYSA-N	0	0	196.253	3.333	10	0		AGAERN
Cc1c(N)ccc2c1-c1ccccc1C2	238505821	572751428	/nfs/dbraw/zinc/75/14/28/572751428.db2.gz	QJLODAMETRALGB-UHFFFAOYSA-N	0	0	195.265	3.148	10	0		AGAERN
C/C=C/[C@H](C)Cc1ccccc1OC	714544226	572751529	/nfs/dbraw/zinc/75/15/29/572751529.db2.gz	ZSOKCLLHYAQEEV-ZPMKCOPCSA-N	0	0	190.286	3.450	10	0		AGAERN
C/C=C(\CC)C(C)(C)C(=O)CC	307909010	572751572	/nfs/dbraw/zinc/75/15/72/572751572.db2.gz	WFLLAZVNYZRIDC-RMKNXTFCSA-N	0	0	168.280	3.348	10	0		AGAERN
C[C@H]1C[C@@H](O)c2cccc3cccc1c23	238504816	572751605	/nfs/dbraw/zinc/75/16/05/572751605.db2.gz	QKOQHWWKEXABSE-TVQRCGJNSA-N	0	0	198.265	3.380	10	0		AGAERN
Cc1c(O)ccc2c3c(ccc12)CCC3	238510034	572751627	/nfs/dbraw/zinc/75/16/27/572751627.db2.gz	XBFNHZNPGXKRDV-UHFFFAOYSA-N	0	0	198.265	3.343	10	0		AGAERN
Cc1cc2c(ccc3cc(C)[nH]c32)[nH]1	196889329	572751637	/nfs/dbraw/zinc/75/16/37/572751637.db2.gz	MIFZUWCELDWEIQ-UHFFFAOYSA-N	0	0	184.242	3.266	10	0		AGAERN
C[C@H]1C[C@H](C)CC[C@]1(O)CCC1CC1	235335677	572751640	/nfs/dbraw/zinc/75/16/40/572751640.db2.gz	AIJCRAXZWGMTIE-MDZLAQPJSA-N	0	0	196.334	3.364	10	0		AGAERN
C/C=C/C[C@@H](C)c1ccccc1O	714543790	572751648	/nfs/dbraw/zinc/75/16/48/572751648.db2.gz	PHMZWJJFZOOLCC-HMDXOVGESA-N	0	0	176.259	3.462	10	0		AGAERN
Cc1cc(F)ccc1[C@H](O)CC(C)C	55201790	572751762	/nfs/dbraw/zinc/75/17/62/572751762.db2.gz	JEJUYNZWFCCTOQ-GFCCVEGCSA-N	0	0	196.265	3.214	10	0		AGAERN
Cc1cc(F)ccc1[C@@H](O)CC(C)C	55201793	572752118	/nfs/dbraw/zinc/75/21/18/572752118.db2.gz	JEJUYNZWFCCTOQ-LBPRGKRZSA-N	0	0	196.265	3.214	10	0		AGAERN
FC(F)[C@@H]1C[C@@H]1c1ccccc1	117721724	572752122	/nfs/dbraw/zinc/75/21/22/572752122.db2.gz	LDUQWNRDUHSTBV-RKDXNWHRSA-N	0	0	168.186	3.055	10	0		AGAERN
Cc1cc(C)c2c(c1)-c1[nH]ccc1CC2	238506531	572752150	/nfs/dbraw/zinc/75/21/50/572752150.db2.gz	LEBXURSZCJRWHQ-UHFFFAOYSA-N	0	0	197.281	3.397	10	0		AGAERN
Cc1ccc(N)c(C2=CC=CCC=C2)c1	238506296	572752189	/nfs/dbraw/zinc/75/21/89/572752189.db2.gz	SWWKQRIFNSBUFG-UHFFFAOYSA-N	0	0	197.281	3.477	10	0		AGAERN
CC(C)CC(C)(C)[C@H]1CCC(=O)C1	167529203	572754046	/nfs/dbraw/zinc/75/40/46/572754046.db2.gz	PPVJTOGIKSFBSL-JTQLQIEISA-N	0	0	182.307	3.428	10	0		AGAERN
FC(F)[C@H]1C[C@@H]1c1ccccc1	117721727	572752449	/nfs/dbraw/zinc/75/24/49/572752449.db2.gz	LDUQWNRDUHSTBV-BDAKNGLRSA-N	0	0	168.186	3.055	10	0		AGAERN
C[C@@H]1CC[C@](O)(C2=CCCCCC2)C1	235335388	572752480	/nfs/dbraw/zinc/75/24/80/572752480.db2.gz	HMWXFNWYQWNYEO-DGCLKSJQSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)(C)C(CCO)C(C)(C)C	117702265	572752967	/nfs/dbraw/zinc/75/29/67/572752967.db2.gz	GPYFYNLFZTYJCE-UHFFFAOYSA-N	0	0	172.312	3.077	10	0		AGAERN
Cc1ccc(F)c(C(=O)CC(C)C)c1	55199419	572753196	/nfs/dbraw/zinc/75/31/96/572753196.db2.gz	LJMLHCLLXVINAU-UHFFFAOYSA-N	0	0	194.249	3.363	10	0		AGAERN
Cc1[nH]c2c(ncc3ccccc32)c1C	238501168	572753281	/nfs/dbraw/zinc/75/32/81/572753281.db2.gz	WVBRIJCUKDSCJF-UHFFFAOYSA-N	0	0	196.253	3.333	10	0		AGAERN
FC(F)[C@@H]1C[C@H]1c1ccccc1	117721728	572753283	/nfs/dbraw/zinc/75/32/83/572753283.db2.gz	LDUQWNRDUHSTBV-DTWKUNHWSA-N	0	0	168.186	3.055	10	0		AGAERN
Cc1[nH]c2c(ccc3cnccc32)c1C	238501060	572753285	/nfs/dbraw/zinc/75/32/85/572753285.db2.gz	VNTHGKUARAPPLF-UHFFFAOYSA-N	0	0	196.253	3.333	10	0		AGAERN
Cc1[nH]c2c(ccc3ccncc32)c1C	238501042	572753354	/nfs/dbraw/zinc/75/33/54/572753354.db2.gz	DMNFVIRUGAHXPC-UHFFFAOYSA-N	0	0	196.253	3.333	10	0		AGAERN
CC(=O)CC(C)(C)/C=C/C(C)C	307908959	572753509	/nfs/dbraw/zinc/75/35/09/572753509.db2.gz	VQPIEZBNDRQGAI-VOTSOKGWSA-N	0	0	168.280	3.204	10	0		AGAERN
Cc1c(OC2CC2)ccc2cccnc12	238510393	572753607	/nfs/dbraw/zinc/75/36/07/572753607.db2.gz	JJOQOCBJKMZUAU-UHFFFAOYSA-N	0	0	199.253	3.084	10	0		AGAERN
CC(C)(C)C[C@@](C)(CO)C(C)(C)C	117701029	572753655	/nfs/dbraw/zinc/75/36/55/572753655.db2.gz	KHHVSJCRCYEZDB-LBPRGKRZSA-N	0	0	186.339	3.467	10	0		AGAERN
CC(C)(C)C[C@](C)(CO)C(C)(C)C	117701031	572753714	/nfs/dbraw/zinc/75/37/14/572753714.db2.gz	KHHVSJCRCYEZDB-GFCCVEGCSA-N	0	0	186.339	3.467	10	0		AGAERN
FC(F)[C@H]1C[C@H]1c1ccccc1	117721730	572753720	/nfs/dbraw/zinc/75/37/20/572753720.db2.gz	LDUQWNRDUHSTBV-IUCAKERBSA-N	0	0	168.186	3.055	10	0		AGAERN
CCCCCSCCCC(C)=O	222441672	572753744	/nfs/dbraw/zinc/75/37/44/572753744.db2.gz	WFKXSZDEKAJCBM-UHFFFAOYSA-N	0	0	188.336	3.279	10	0		AGAERN
C/C=C/C[C@H](C)c1ccccc1O	714543785	572754219	/nfs/dbraw/zinc/75/42/19/572754219.db2.gz	PHMZWJJFZOOLCC-FSIBCCDJSA-N	0	0	176.259	3.462	10	0		AGAERN
Cc1ccsc1-c1ccc[nH]1	196881492	572754450	/nfs/dbraw/zinc/75/44/50/572754450.db2.gz	DYKAZFOBOZJUSX-UHFFFAOYSA-N	0	0	163.245	3.052	10	0		AGAERN
C[C@@H]1CC[C@](O)(C2=CCCCC2)C1	235335240	572754653	/nfs/dbraw/zinc/75/46/53/572754653.db2.gz	OUMAIJKHCANKEE-ZYHUDNBSSA-N	0	0	180.291	3.038	10	0		AGAERN
CCC[C@H](CC(C)C)C(=O)CC	308114918	572755135	/nfs/dbraw/zinc/75/51/35/572755135.db2.gz	TXXNYCAWBSPZOG-SNVBAGLBSA-N	0	0	170.296	3.428	10	0		AGAERN
C/C(=C/Cl)Cn1ccnc1C(C)C	308113241	572755230	/nfs/dbraw/zinc/75/52/30/572755230.db2.gz	RJDKRVRFGDFJPP-TWGQIWQCSA-N	0	0	198.697	3.149	10	0		AGAERN
CC[C@@H](C)[C@](C)(O)CCC(F)(F)F	70916944	572755774	/nfs/dbraw/zinc/75/57/74/572755774.db2.gz	NKVGPTUUMLFHNN-HTQZYQBOSA-N	0	0	198.228	3.126	10	0		AGAERN
O=C1CCCC=C2C=C[C@H]1CCC2	308114035	572755894	/nfs/dbraw/zinc/75/58/94/572755894.db2.gz	RZZIAGWKQWVFEY-LLVKDONJSA-N	0	0	176.259	3.022	10	0		AGAERN
Cc1cnc(-c2cc3ccccc3[nH]2)o1	238513499	572755991	/nfs/dbraw/zinc/75/59/91/572755991.db2.gz	IYIWMIAWZNVXKQ-UHFFFAOYSA-N	0	0	198.225	3.131	10	0		AGAERN
CCCCCC[C@@H](C)OC1CC(=O)C1	85505302	572757122	/nfs/dbraw/zinc/75/71/22/572757122.db2.gz	SORSVVABTDDYDI-SNVBAGLBSA-N	0	0	198.306	3.093	10	0		AGAERN
CC(C)(C)C[C@H](O)CCC(F)(F)F	70915921	572756148	/nfs/dbraw/zinc/75/61/48/572756148.db2.gz	WLBPESFGKYDALK-SSDOTTSWSA-N	0	0	198.228	3.126	10	0		AGAERN
COCc1ccc(Cl)cc1Cl	117717268	572756303	/nfs/dbraw/zinc/75/63/03/572756303.db2.gz	PKMKPNGBLZCSAS-UHFFFAOYSA-N	0	0	191.057	3.140	10	0		AGAERN
C/C(=C/[C@@H]1CCC[C@H](C)C1)[C@@H](C)O	308113144	572756459	/nfs/dbraw/zinc/75/64/59/572756459.db2.gz	MBDQJSAVSRONOK-SXFFNVPCSA-N	0	0	182.307	3.140	10	0		AGAERN
CS[C@@H]1CCC[C@H](n2cccc2)C1	235256351	572756613	/nfs/dbraw/zinc/75/66/13/572756613.db2.gz	LTUZOKDEZYIFRJ-WDEREUQCSA-N	0	0	195.331	3.335	10	0		AGAERN
C/C(=C/[C@@H]1CCC[C@H](C)C1)[C@H](C)O	308113143	572756729	/nfs/dbraw/zinc/75/67/29/572756729.db2.gz	MBDQJSAVSRONOK-QEPFGGMVSA-N	0	0	182.307	3.140	10	0		AGAERN
Cc1c(N)ccc2c1Cc1ccccc1-2	238520763	572756759	/nfs/dbraw/zinc/75/67/59/572756759.db2.gz	RQBRSIVAHJCTSL-UHFFFAOYSA-N	0	0	195.265	3.148	10	0		AGAERN
C=C/C=C\CC1(CO)CCCCC1	308115102	572757003	/nfs/dbraw/zinc/75/70/03/572757003.db2.gz	ACIXLNLTNDPERX-HYXAFXHYSA-N	0	0	180.291	3.062	10	0		AGAERN
CCCCCC[C@H](C)OC1CC(=O)C1	85505306	572757150	/nfs/dbraw/zinc/75/71/50/572757150.db2.gz	SORSVVABTDDYDI-JTQLQIEISA-N	0	0	198.306	3.093	10	0		AGAERN
Cc1cc2c(C)nc3ccccc3c2[nH]1	238523430	572757283	/nfs/dbraw/zinc/75/72/83/572757283.db2.gz	UGKWLFQWWZSUIP-UHFFFAOYSA-N	0	0	196.253	3.333	10	0		AGAERN
CC[C@H](C)Sc1cccc(C=O)c1	85536616	572757878	/nfs/dbraw/zinc/75/78/78/572757878.db2.gz	LBTXJKSIZMKXEA-VIFPVBQESA-N	0	0	194.299	3.390	10	0		AGAERN
Cc1cc2c(ccc3nccc(C)c32)[nH]1	238524369	572757743	/nfs/dbraw/zinc/75/77/43/572757743.db2.gz	DWWUOQLUNSKQLB-UHFFFAOYSA-N	0	0	196.253	3.333	10	0		AGAERN
CC(=O)C[C@H]1C=CC=CCCCC1	308115416	572758117	/nfs/dbraw/zinc/75/81/17/572758117.db2.gz	UIEUURFZXGQTPZ-LBPRGKRZSA-N	0	0	178.275	3.268	10	0		AGAERN
CCC[C@@H](CC(C)C)C(=O)C1CC1	308111386	572758144	/nfs/dbraw/zinc/75/81/44/572758144.db2.gz	OBJVHIGIFIYEKE-NSHDSACASA-N	0	0	182.307	3.428	10	0		AGAERN
O=Cc1cccc(SCC2CC2)c1	85536598	572758166	/nfs/dbraw/zinc/75/81/66/572758166.db2.gz	CBSJSABQXBLGFN-UHFFFAOYSA-N	0	0	192.283	3.001	10	0		AGAERN
C=COc1ccc(CCC)cc1	85503661	572758203	/nfs/dbraw/zinc/75/82/03/572758203.db2.gz	WCPNHJZFCJHPQG-UHFFFAOYSA-N	0	0	162.232	3.161	10	0		AGAERN
CCC[C@H](CC(C)C)C(=O)C1CC1	308110987	572758302	/nfs/dbraw/zinc/75/83/02/572758302.db2.gz	OBJVHIGIFIYEKE-LLVKDONJSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H](C)Sc1cccc(C=O)c1	85536615	572758303	/nfs/dbraw/zinc/75/83/03/572758303.db2.gz	LBTXJKSIZMKXEA-SECBINFHSA-N	0	0	194.299	3.390	10	0		AGAERN
C/C=C/CC(C)(C)C(=O)C(C)C	307911830	572758630	/nfs/dbraw/zinc/75/86/30/572758630.db2.gz	JRUXGBULASULHA-VOTSOKGWSA-N	0	0	168.280	3.204	10	0		AGAERN
C/C=C\[C@@H](O)C1=CCCCC1(C)C	308116576	572758665	/nfs/dbraw/zinc/75/86/65/572758665.db2.gz	ALXIBTVINABMPN-MEQVVJDKSA-N	0	0	180.291	3.060	10	0		AGAERN
CCSCCCSCC1CC1	307921697	572758666	/nfs/dbraw/zinc/75/86/66/572758666.db2.gz	LTJLSMFQSIEZAL-UHFFFAOYSA-N	0	0	190.377	3.273	10	0		AGAERN
C/C=C/CSc1cccc(C=O)c1	85536521	572758673	/nfs/dbraw/zinc/75/86/73/572758673.db2.gz	QSSGLAGTJFCTKK-NSCUHMNNSA-N	0	0	192.283	3.167	10	0		AGAERN
C[C@@H]1CCC[C@](O)(CCC2CC2)C1	235338956	572758881	/nfs/dbraw/zinc/75/88/81/572758881.db2.gz	DGXABMYGVUDGOC-PWSUYJOCSA-N	0	0	182.307	3.118	10	0		AGAERN
CCCCC/C=C/C=C/[C@H](C)O	307923503	572759270	/nfs/dbraw/zinc/75/92/70/572759270.db2.gz	MFPAXNPGWGCOHQ-DUGZHFMMSA-N	0	0	168.280	3.060	10	0		AGAERN
C[C@@H]1CCC[C@](O)(CCC2CC2)[C@@H]1C	235339023	572759320	/nfs/dbraw/zinc/75/93/20/572759320.db2.gz	VPVRTIQZEUKDBB-WZRBSPASSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@@H]1CCC[C@](O)(C2=CCCCC2)C1	235338705	572760456	/nfs/dbraw/zinc/76/04/56/572760456.db2.gz	KOCBNGDXVYYKLR-DGCLKSJQSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(=O)C[C@@H]1C=CC=CCCCC1	308115415	572760585	/nfs/dbraw/zinc/76/05/85/572760585.db2.gz	UIEUURFZXGQTPZ-GFCCVEGCSA-N	0	0	178.275	3.268	10	0		AGAERN
O=C1CCCC=C2C=C[C@@H](CC2)C1	308116060	572760976	/nfs/dbraw/zinc/76/09/76/572760976.db2.gz	VLLGMQDEYLOKHZ-NSHDSACASA-N	0	0	176.259	3.022	10	0		AGAERN
CC/C=C(\CC)CCC(=O)CC	307913609	572761565	/nfs/dbraw/zinc/76/15/65/572761565.db2.gz	PTZRFZNRRPKICV-JXMROGBWSA-N	0	0	168.280	3.492	10	0		AGAERN
C/C=C\[C@@H](C)C(CO)[C@H](C)/C=C/C	308121586	572761927	/nfs/dbraw/zinc/76/19/27/572761927.db2.gz	KTKXEYKUTZCBKP-KJBDZVHUSA-N	0	0	182.307	3.019	10	0		AGAERN
CCCSCC(=O)C(C)(C)CC	308121062	572762233	/nfs/dbraw/zinc/76/22/33/572762233.db2.gz	PTXNADWQNYBYRN-UHFFFAOYSA-N	0	0	188.336	3.135	10	0		AGAERN
C/C=C1\CC[C@@H]2C(=O)CCC[C@@]12C	308111846	572762249	/nfs/dbraw/zinc/76/22/49/572762249.db2.gz	PBVSOVYHVQKTCT-FIWGHNNNSA-N	0	0	178.275	3.102	10	0		AGAERN
CCCC/C=C\[C@H](O)[C@@H](C)C(C)C	308120845	572762358	/nfs/dbraw/zinc/76/23/58/572762358.db2.gz	HUGHUVNQJKPKCQ-RTVKQWPZSA-N	0	0	184.323	3.386	10	0		AGAERN
CC[C@H](C)Sc1cccc(CO)c1	85537324	572762522	/nfs/dbraw/zinc/76/25/22/572762522.db2.gz	MCOCFKUWYKIBGS-VIFPVBQESA-N	0	0	196.315	3.070	10	0		AGAERN
CC[C@@H](C)Sc1cccc(CO)c1	85537323	572762775	/nfs/dbraw/zinc/76/27/75/572762775.db2.gz	MCOCFKUWYKIBGS-SECBINFHSA-N	0	0	196.315	3.070	10	0		AGAERN
CCC[C@H](C)C(=O)CCCCF	308121374	572762936	/nfs/dbraw/zinc/76/29/36/572762936.db2.gz	QGPCLUINJWHEJK-VIFPVBQESA-N	0	0	174.259	3.132	10	0		AGAERN
CCCC/C=C\[C@H](O)[C@H](C)C(C)C	308120846	572763110	/nfs/dbraw/zinc/76/31/10/572763110.db2.gz	HUGHUVNQJKPKCQ-STNFYNBXSA-N	0	0	184.323	3.386	10	0		AGAERN
CC(C)SCc1c(N)cccc1F	70962289	572763467	/nfs/dbraw/zinc/76/34/67/572763467.db2.gz	ZFKSPUSMIPGAEL-UHFFFAOYSA-N	0	0	199.294	3.050	10	0		AGAERN
C/C=C\[C@@H](C)C(CO)[C@H](C)/C=C\C	308121587	572763916	/nfs/dbraw/zinc/76/39/16/572763916.db2.gz	KTKXEYKUTZCBKP-RMGBVFEKSA-N	0	0	182.307	3.019	10	0		AGAERN
C/C=C1\CC[C@@H]2C(=O)CCC[C@]12C	308111847	572764391	/nfs/dbraw/zinc/76/43/91/572764391.db2.gz	PBVSOVYHVQKTCT-ZWAIMYQESA-N	0	0	178.275	3.102	10	0		AGAERN
C/C=C\[C@@H](CC)[C@H](CO)CCCC	308121284	572764676	/nfs/dbraw/zinc/76/46/76/572764676.db2.gz	JFAUDZKVXDFZIN-MCTUQULKSA-N	0	0	184.323	3.387	10	0		AGAERN
CCC[C@@H](C)C(=O)CCCCF	308121245	572764838	/nfs/dbraw/zinc/76/48/38/572764838.db2.gz	QGPCLUINJWHEJK-SECBINFHSA-N	0	0	174.259	3.132	10	0		AGAERN
C=C/C=C\CC[C@H](O)/C=C/C=C\C	308127377	572764842	/nfs/dbraw/zinc/76/48/42/572764842.db2.gz	CBZQQHXUWOBFDR-ZDXGIKFNSA-N	0	0	178.275	3.002	10	0		AGAERN
CC[C@H](C)C/C=C\C[C@H](O)C(C)C	308122711	572765233	/nfs/dbraw/zinc/76/52/33/572765233.db2.gz	PHDPLASJLVPYBI-MVSYMCDOSA-N	0	0	184.323	3.386	10	0		AGAERN
CC[C@H](C)CC/C=C/C=C(\C)CO	308122969	572765246	/nfs/dbraw/zinc/76/52/46/572765246.db2.gz	QEIFFIPXKVOCCV-VXMLSTNOSA-N	0	0	182.307	3.308	10	0		AGAERN
CC[C@H](C)C/C=C\C[C@@H](O)C(C)C	308122712	572766683	/nfs/dbraw/zinc/76/66/83/572766683.db2.gz	PHDPLASJLVPYBI-QHDQMSKJSA-N	0	0	184.323	3.386	10	0		AGAERN
CSCCSCCCCCF	307918087	572765710	/nfs/dbraw/zinc/76/57/10/572765710.db2.gz	DISIZNVTGRRKFQ-UHFFFAOYSA-N	0	0	196.356	3.222	10	0		AGAERN
CC[C@@H](C)/C=C(C)/C=C/C=C\CO	308122024	572765764	/nfs/dbraw/zinc/76/57/64/572765764.db2.gz	MJJIQNWNZPNEBC-UVQZOJFESA-N	0	0	180.291	3.084	10	0		AGAERN
C[C@@H](O)C/C=C\c1ccc(Cl)cc1	308123352	572765996	/nfs/dbraw/zinc/76/59/96/572765996.db2.gz	RYBYKIXIWILEDD-FIFYQCSRSA-N	0	0	196.677	3.124	10	0		AGAERN
C/C(=C/CC/C(C)=C/CO)C(C)C	308122945	572766315	/nfs/dbraw/zinc/76/63/15/572766315.db2.gz	PZRKZDSBJVHPSH-OHJCXFAUSA-N	0	0	182.307	3.308	10	0		AGAERN
CCCC/C=C\[C@@H](O)c1ccoc1	308123164	572766515	/nfs/dbraw/zinc/76/65/15/572766515.db2.gz	RGEKXQXGYZHIKS-ISALQUGTSA-N	0	0	180.247	3.059	10	0		AGAERN
C/C=C(\C)CC(=O)C/C(C)=C/C	307915074	572766948	/nfs/dbraw/zinc/76/69/48/572766948.db2.gz	WKJUBCLRBJGTIU-NXZHAISVSA-N	0	0	166.264	3.268	10	0		AGAERN
CC1=CCCC[C@@H](O)C(C)=CCC1	308121790	572767220	/nfs/dbraw/zinc/76/72/20/572767220.db2.gz	LSCVYLYKHXEAQU-GFCCVEGCSA-N	0	0	180.291	3.204	10	0		AGAERN
C/C=C\CCC[C@@H](O)c1ccco1	308122079	572767510	/nfs/dbraw/zinc/76/75/10/572767510.db2.gz	MRVRIJXZFWZVTC-MXQLGCADSA-N	0	0	180.247	3.059	10	0		AGAERN
C/C(=C/CO)CC/C=C(/C)C(C)C	308122943	572767520	/nfs/dbraw/zinc/76/75/20/572767520.db2.gz	PZRKZDSBJVHPSH-HONFXZPPSA-N	0	0	182.307	3.308	10	0		AGAERN
CCCC[C@H](O)[C@@H]1CC=CC[C@H]1C	308122086	572767630	/nfs/dbraw/zinc/76/76/30/572767630.db2.gz	MTNQASOQMBMTFT-UTUOFQBUSA-N	0	0	182.307	3.140	10	0		AGAERN
CC[C@H](C)CC/C=C/C=C(/C)CO	308122968	572767634	/nfs/dbraw/zinc/76/76/34/572767634.db2.gz	QEIFFIPXKVOCCV-FUXWWARXSA-N	0	0	182.307	3.308	10	0		AGAERN
OCC1=CCCCCCCCCC1	308122122	572767651	/nfs/dbraw/zinc/76/76/51/572767651.db2.gz	NBTRNNKCQFIWKP-UHFFFAOYSA-N	0	0	182.307	3.430	10	0		AGAERN
CC1=CCCC[C@H](O)C(C)=CCC1	308121791	572767707	/nfs/dbraw/zinc/76/77/07/572767707.db2.gz	LSCVYLYKHXEAQU-LBPRGKRZSA-N	0	0	180.291	3.204	10	0		AGAERN
CC[C@@H](C)/C=C(C)/C=C/C=C/CO	308122025	572767925	/nfs/dbraw/zinc/76/79/25/572767925.db2.gz	MJJIQNWNZPNEBC-XQXVNEIJSA-N	0	0	180.291	3.084	10	0		AGAERN
C/C(=C/CO)CC/C=C(\C)C(C)C	308122944	572767997	/nfs/dbraw/zinc/76/79/97/572767997.db2.gz	PZRKZDSBJVHPSH-MVOOLVRYSA-N	0	0	182.307	3.308	10	0		AGAERN
COC(=S)SCCCC(C)C	307918842	572768953	/nfs/dbraw/zinc/76/89/53/572768953.db2.gz	FMABZIUIOFUVAR-UHFFFAOYSA-N	0	0	192.349	3.087	10	0		AGAERN
C/C=C\[C@H](O)C1=CCCCCCC1	308123630	572769083	/nfs/dbraw/zinc/76/90/83/572769083.db2.gz	STTILWRILIDJBU-SMNGFHIBSA-N	0	0	180.291	3.204	10	0		AGAERN
C[C@H](CO)C/C=C\C1CCCCC1	308123860	572769480	/nfs/dbraw/zinc/76/94/80/572769480.db2.gz	UMXKFWUSGMBMAY-GWZUUTHWSA-N	0	0	182.307	3.141	10	0		AGAERN
CCCC[C@@H]([C@H](C)CO)C(C)(C)C	308126448	572770172	/nfs/dbraw/zinc/77/01/72/572770172.db2.gz	AUFPIVGMHZHUHS-MNOVXSKESA-N	0	0	186.339	3.467	10	0		AGAERN
CC[C@@H](C)Nc1ccc(OC)c(C)c1	49528369	572770745	/nfs/dbraw/zinc/77/07/45/572770745.db2.gz	DAKVGRASYWFIME-SNVBAGLBSA-N	0	0	193.290	3.214	10	0		AGAERN
C/C=C\C[C@H](O)/C=C\CCCCC	308125573	572770754	/nfs/dbraw/zinc/77/07/54/572770754.db2.gz	ZNHVMZNXNZAJKU-JAQAYJSOSA-N	0	0	182.307	3.450	10	0		AGAERN
CCC1([C@H](O)[C@@H](C)CC(C)C)CC1	308126249	572770799	/nfs/dbraw/zinc/77/07/99/572770799.db2.gz	BELUVDVQHLPGQP-WDEREUQCSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@H](O)[C@H](C)[C@@H]1C=CCCCCC1	308125882	572770830	/nfs/dbraw/zinc/77/08/30/572770830.db2.gz	AWTRANYEFALHHY-SDDRHHMPSA-N	0	0	182.307	3.140	10	0		AGAERN
CCCC/C=C\C[C@@H]1CCC[C@@H]1O	308125696	572770869	/nfs/dbraw/zinc/77/08/69/572770869.db2.gz	ACTXGNOXIJJEQQ-DUVUQDDDSA-N	0	0	182.307	3.284	10	0		AGAERN
C[C@H](O)[C@@H](C)[C@H]1C=CCCCCC1	308125891	572771017	/nfs/dbraw/zinc/77/10/17/572771017.db2.gz	AWTRANYEFALHHY-WOPDTQHZSA-N	0	0	182.307	3.140	10	0		AGAERN
O[C@H]1C=CC=CCCCCCCC1	308125233	572771073	/nfs/dbraw/zinc/77/10/73/572771073.db2.gz	YXQRILHVXUADGH-LBPRGKRZSA-N	0	0	180.291	3.204	10	0		AGAERN
C/C=C\C[C@H](O)/C=C/CCCCC	308125572	572771267	/nfs/dbraw/zinc/77/12/67/572771267.db2.gz	ZNHVMZNXNZAJKU-FUWGQYJPSA-N	0	0	182.307	3.450	10	0		AGAERN
CCC1([C@H](O)[C@H](C)CC(C)C)CC1	308126246	572771472	/nfs/dbraw/zinc/77/14/72/572771472.db2.gz	BELUVDVQHLPGQP-GHMZBOCLSA-N	0	0	184.323	3.220	10	0		AGAERN
C/C=C\CCn1c(C)ccc1C	307931765	572771858	/nfs/dbraw/zinc/77/18/58/572771858.db2.gz	OPCQZOBAJGIWJS-PLNGDYQASA-N	0	0	163.264	3.071	10	0		AGAERN
CCc1cc(C)ccc1Br	141550876	572771937	/nfs/dbraw/zinc/77/19/37/572771937.db2.gz	CZSOCBICOJRSSW-UHFFFAOYSA-N	0	0	199.091	3.320	10	0		AGAERN
CC[C@H](C)Nc1ccc(OC)c(C)c1	49528370	572771953	/nfs/dbraw/zinc/77/19/53/572771953.db2.gz	DAKVGRASYWFIME-JTQLQIEISA-N	0	0	193.290	3.214	10	0		AGAERN
C[C@H](O)[C@H](C)[C@H]1C=CCCCCC1	308125886	572771984	/nfs/dbraw/zinc/77/19/84/572771984.db2.gz	AWTRANYEFALHHY-SRVKXCTJSA-N	0	0	182.307	3.140	10	0		AGAERN
CC/C=C\CCC/C(C)=C/CCO	308125930	572771989	/nfs/dbraw/zinc/77/19/89/572771989.db2.gz	ALWXYPWDMMSRGW-KYTHIUCFSA-N	0	0	182.307	3.452	10	0		AGAERN
CCC[C@H]1CCC[C@@H](CCC)[C@@H]1O	308125855	572772174	/nfs/dbraw/zinc/77/21/74/572772174.db2.gz	AUDDPNCJCKXWBU-GDNZZTSVSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@H]1CCC[C@@H](CCC)[C@H]1O	308125859	572772517	/nfs/dbraw/zinc/77/25/17/572772517.db2.gz	AUDDPNCJCKXWBU-ZSBIGDGJSA-N	0	0	184.323	3.364	10	0		AGAERN
CC/C=C\CCC/C(C)=C\CCO	308125934	572772636	/nfs/dbraw/zinc/77/26/36/572772636.db2.gz	ALWXYPWDMMSRGW-VDBJJUDGSA-N	0	0	182.307	3.452	10	0		AGAERN
CCCC/C=C\C[C@@H]1CCC[C@H]1O	308125703	572772775	/nfs/dbraw/zinc/77/27/75/572772775.db2.gz	ACTXGNOXIJJEQQ-GKKDLHFNSA-N	0	0	182.307	3.284	10	0		AGAERN
O[C@@H]1C=CC=CCCCCCCC1	308125230	572772812	/nfs/dbraw/zinc/77/28/12/572772812.db2.gz	YXQRILHVXUADGH-GFCCVEGCSA-N	0	0	180.291	3.204	10	0		AGAERN
C[C@H](O)[C@@H](C)[C@@H]1C=CCCCCC1	308125878	572772873	/nfs/dbraw/zinc/77/28/73/572772873.db2.gz	AWTRANYEFALHHY-GRYCIOLGSA-N	0	0	182.307	3.140	10	0		AGAERN
C/C=C/C[C@H](O)/C=C\CCCCC	308125574	572772951	/nfs/dbraw/zinc/77/29/51/572772951.db2.gz	ZNHVMZNXNZAJKU-ZHEUWFBNSA-N	0	0	182.307	3.450	10	0		AGAERN
CC/C=C/CCC/C(C)=C\CCO	308125937	572772953	/nfs/dbraw/zinc/77/29/53/572772953.db2.gz	ALWXYPWDMMSRGW-XWCDRKNNSA-N	0	0	182.307	3.452	10	0		AGAERN
CCC1([C@@H](O)[C@@H](C)CC(C)C)CC1	308126248	572773081	/nfs/dbraw/zinc/77/30/81/572773081.db2.gz	BELUVDVQHLPGQP-QWRGUYRKSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC1([C@@H](O)[C@H](C)CC(C)C)CC1	308126247	572773151	/nfs/dbraw/zinc/77/31/51/572773151.db2.gz	BELUVDVQHLPGQP-MNOVXSKESA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)=CCC[C@@H](C)/C=C\CCO	308125640	572773167	/nfs/dbraw/zinc/77/31/67/572773167.db2.gz	AAGOQEUDLIZPGA-LDJOOVGUSA-N	0	0	182.307	3.308	10	0		AGAERN
CCC/C=C(\CC)[C@H](O)C=C(C)C	308127106	572773508	/nfs/dbraw/zinc/77/35/08/572773508.db2.gz	BWWJGHVLNPVNRX-JATZPVMKSA-N	0	0	182.307	3.450	10	0		AGAERN
CCC/C=C(\CC)[C@@H](O)C=C(C)C	308127107	572773758	/nfs/dbraw/zinc/77/37/58/572773758.db2.gz	BWWJGHVLNPVNRX-OBIHZWKSSA-N	0	0	182.307	3.450	10	0		AGAERN
CCC/C=C/C=C\[C@H](C)CCCO	308127020	572773775	/nfs/dbraw/zinc/77/37/75/572773775.db2.gz	BMDYJFPZHHZZOI-LUTAUFAHSA-N	0	0	182.307	3.308	10	0		AGAERN
CCC/C=C/C=C/[C@H](C)CCCO	308127022	572773958	/nfs/dbraw/zinc/77/39/58/572773958.db2.gz	BMDYJFPZHHZZOI-MQQNCZSLSA-N	0	0	182.307	3.308	10	0		AGAERN
CCSCSc1ccc(C)cn1	307927967	572774350	/nfs/dbraw/zinc/77/43/50/572774350.db2.gz	ATIFPGPKOKKJAN-UHFFFAOYSA-N	0	0	199.344	3.193	10	0		AGAERN
C=C/C=C/CCC[C@@H](O)C1CCCC1	713749160	572776722	/nfs/dbraw/zinc/77/67/22/572776722.db2.gz	NSTNTIMHPQMNJZ-ITDFMYJTSA-N	0	0	194.318	3.450	10	0		AGAERN
C=C/C=C\CCC[C@@H](O)C1CCCC1	713749159	572777417	/nfs/dbraw/zinc/77/74/17/572777417.db2.gz	NSTNTIMHPQMNJZ-DHCBQETCSA-N	0	0	194.318	3.450	10	0		AGAERN
CCCC[C@@H](O)CC1(C)CCC1	307929977	572777489	/nfs/dbraw/zinc/77/74/89/572777489.db2.gz	BNTAFMAHKQRJCD-SNVBAGLBSA-N	0	0	170.296	3.118	10	0		AGAERN
CCCC[C@H](O)CC1(C)CCC1	307929975	572778687	/nfs/dbraw/zinc/77/86/87/572778687.db2.gz	BNTAFMAHKQRJCD-JTQLQIEISA-N	0	0	170.296	3.118	10	0		AGAERN
CCC/C=C(\CCC)[C@@H](O)CC	307929390	572777933	/nfs/dbraw/zinc/77/79/33/572777933.db2.gz	AHDCIHWUCORUHX-USKTWTLRSA-N	0	0	170.296	3.284	10	0		AGAERN
C=C/C=C/CCC[C@H](O)C1CCCC1	713749161	572777960	/nfs/dbraw/zinc/77/79/60/572777960.db2.gz	NSTNTIMHPQMNJZ-OOPCZODUSA-N	0	0	194.318	3.450	10	0		AGAERN
CCCc1ccccc1-n1cccc1	49559876	572778218	/nfs/dbraw/zinc/77/82/18/572778218.db2.gz	SFKUCUBVTRJPCS-UHFFFAOYSA-N	0	0	185.270	3.430	10	0		AGAERN
CC[C@H](C)n1[nH]c(C2CC2)cc1=S	71006941	572778475	/nfs/dbraw/zinc/77/84/75/572778475.db2.gz	ZYPKCXGHKCUCIX-ZETCQYMHSA-N	0	0	196.319	3.020	10	0		AGAERN
CCC(C)(C)c1ccc(O)c(OC)c1	141517168	572779512	/nfs/dbraw/zinc/77/95/12/572779512.db2.gz	TVOBROJQDKFNPV-UHFFFAOYSA-N	0	0	194.274	3.088	10	0		AGAERN
C=C/C=C\CCC[C@H](O)C1CCCC1	713749162	572779560	/nfs/dbraw/zinc/77/95/60/572779560.db2.gz	NSTNTIMHPQMNJZ-SCOBNMCVSA-N	0	0	194.318	3.450	10	0		AGAERN
CCc1ccc2cc(C)[nH]c2c1	141569683	572779640	/nfs/dbraw/zinc/77/96/40/572779640.db2.gz	OHEJUVGDOXYJCS-UHFFFAOYSA-N	0	0	159.232	3.039	10	0		AGAERN
C=CC1=CCCCCCCC[C@@H]1O	308119823	572779856	/nfs/dbraw/zinc/77/98/56/572779856.db2.gz	DUJQXFXZXLCOKD-LBPRGKRZSA-N	0	0	180.291	3.204	10	0		AGAERN
CC[C@H](O)/C=C\c1cccc(Cl)c1	308119832	572779912	/nfs/dbraw/zinc/77/99/12/572779912.db2.gz	DVOPYUSGZVBSBW-ZADCQDASSA-N	0	0	196.677	3.124	10	0		AGAERN
Cc1ccc([C@@H](C)n2cccc2)cc1	49559879	572780049	/nfs/dbraw/zinc/78/00/49/572780049.db2.gz	PMACOFVOJXHYSX-GFCCVEGCSA-N	0	0	185.270	3.406	10	0		AGAERN
CC[C@@H](O)/C=C\c1cccc(Cl)c1	308119827	572780145	/nfs/dbraw/zinc/78/01/45/572780145.db2.gz	DVOPYUSGZVBSBW-JMEBYUIHSA-N	0	0	196.677	3.124	10	0		AGAERN
Cl/C=C1\CCC=C1Cl	238539245	572781154	/nfs/dbraw/zinc/78/11/54/572781154.db2.gz	VWJIUUYSMUPPIB-SNAWJCMRSA-N	0	0	149.020	3.026	10	0		AGAERN
C=C/C=C/CCC[C@@H](O)C(C)(C)C	713751625	572781237	/nfs/dbraw/zinc/78/12/37/572781237.db2.gz	ZBCXFQBICZSTPN-XUIVZRPNSA-N	0	0	182.307	3.306	10	0		AGAERN
CCC/C(=C\CO)CCC=C(C)C	308119703	572781278	/nfs/dbraw/zinc/78/12/78/572781278.db2.gz	DLMUCCAXFGLKQY-FMIVXFBMSA-N	0	0	182.307	3.452	10	0		AGAERN
Cn1ccc(-c2cccc3ccoc23)c1	238540739	572781350	/nfs/dbraw/zinc/78/13/50/572781350.db2.gz	QSARXLVOGPJYDP-UHFFFAOYSA-N	0	0	197.237	3.438	10	0		AGAERN
C=C1C=CC=CC=C/C1=C\Cl	238540071	572781416	/nfs/dbraw/zinc/78/14/16/572781416.db2.gz	HFSVNUWPQDSVBJ-JDUGQFLHSA-N	0	0	164.635	3.348	10	0		AGAERN
C=C/C=C\CC[C@H](C(C)C)[C@H](C)O	713750935	572781427	/nfs/dbraw/zinc/78/14/27/572781427.db2.gz	WFMCJDGAXCUFDS-QHDQMSKJSA-N	0	0	182.307	3.162	10	0		AGAERN
CCC(C)(C)C(=O)CSC(C)C	308120558	572783577	/nfs/dbraw/zinc/78/35/77/572783577.db2.gz	PFLUEJSIWHNFET-UHFFFAOYSA-N	0	0	188.336	3.133	10	0		AGAERN
C=C/C=C/CC[C@H](C(C)C)[C@@H](C)O	713750923	572781621	/nfs/dbraw/zinc/78/16/21/572781621.db2.gz	WFMCJDGAXCUFDS-BYAJROORSA-N	0	0	182.307	3.162	10	0		AGAERN
C=CC1=CCCCCCCC[C@H]1O	308119819	572781813	/nfs/dbraw/zinc/78/18/13/572781813.db2.gz	DUJQXFXZXLCOKD-GFCCVEGCSA-N	0	0	180.291	3.204	10	0		AGAERN
C=C/C=C\CCC[C@H](O)C(C)(C)C	713751628	572782013	/nfs/dbraw/zinc/78/20/13/572782013.db2.gz	ZBCXFQBICZSTPN-ZADCQDASSA-N	0	0	182.307	3.306	10	0		AGAERN
Cn1ccc(-c2cccc3occc23)c1	238540767	572782343	/nfs/dbraw/zinc/78/23/43/572782343.db2.gz	FIJNFXHCJYNXLR-UHFFFAOYSA-N	0	0	197.237	3.438	10	0		AGAERN
C/C=C\[C@H](O)[C@H](C)/C=C(C)/C=C/C	308120494	572782463	/nfs/dbraw/zinc/78/24/63/572782463.db2.gz	GWROKAVQVKRDEH-CUECSALHSA-N	0	0	180.291	3.082	10	0		AGAERN
CCCc1ccc([C@H](C)C(C)=O)cc1	85662512	572782609	/nfs/dbraw/zinc/78/26/09/572782609.db2.gz	BFVUMCZZDLQQTM-SNVBAGLBSA-N	0	0	190.286	3.332	10	0		AGAERN
CCCc1ccc([C@@H](C)[C@H](C)O)cc1	85658659	572782704	/nfs/dbraw/zinc/78/27/04/572782704.db2.gz	DICGCPUQJBTCHD-QWRGUYRKSA-N	0	0	192.302	3.123	10	0		AGAERN
CC(C)C[C@H](CO)[C@H](C)CC(C)C	308129458	572782705	/nfs/dbraw/zinc/78/27/05/572782705.db2.gz	BHZXZVPYZCTRKM-VXGBXAGGSA-N	0	0	186.339	3.323	10	0		AGAERN
CCCc1ccc([C@@H](C)C(C)=O)cc1	85662510	572782759	/nfs/dbraw/zinc/78/27/59/572782759.db2.gz	BFVUMCZZDLQQTM-JTQLQIEISA-N	0	0	190.286	3.332	10	0		AGAERN
CCC[C@@H](C)C[C@H](O)C1(CC)CC1	308128907	572782784	/nfs/dbraw/zinc/78/27/84/572782784.db2.gz	CNXPGOHRLZHGII-MNOVXSKESA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1cc[nH]c1-c1c[nH]c2ccccc12	238528583	572783036	/nfs/dbraw/zinc/78/30/36/572783036.db2.gz	VWBBAJUWGNDPMW-UHFFFAOYSA-N	0	0	196.253	3.471	10	0		AGAERN
C=C/C=C\CCC[C@@H](O)C(C)(C)C	713751621	572783218	/nfs/dbraw/zinc/78/32/18/572783218.db2.gz	ZBCXFQBICZSTPN-JMEBYUIHSA-N	0	0	182.307	3.306	10	0		AGAERN
CCCc1ccc([C@H](C)[C@@H](C)O)cc1	85658657	572783306	/nfs/dbraw/zinc/78/33/06/572783306.db2.gz	DICGCPUQJBTCHD-GHMZBOCLSA-N	0	0	192.302	3.123	10	0		AGAERN
CCCc1ccc([C@H](C)[C@H](C)O)cc1	85658661	572783328	/nfs/dbraw/zinc/78/33/28/572783328.db2.gz	DICGCPUQJBTCHD-MNOVXSKESA-N	0	0	192.302	3.123	10	0		AGAERN
CCc1ccc([C@@H](CC)[C@H](C)O)cc1	85658324	572783333	/nfs/dbraw/zinc/78/33/33/572783333.db2.gz	OSZDFVZQGIJUHH-GWCFXTLKSA-N	0	0	192.302	3.123	10	0		AGAERN
Cc1ccc(O)c(C2C=CC=CC=C2)c1	238527928	572783353	/nfs/dbraw/zinc/78/33/53/572783353.db2.gz	VQKGAHOIEMIJDW-UHFFFAOYSA-N	0	0	198.265	3.466	10	0		AGAERN
C=C/C=C/CC[C@H](C(C)C)[C@H](C)O	713750929	572783370	/nfs/dbraw/zinc/78/33/70/572783370.db2.gz	WFMCJDGAXCUFDS-FNSAGKMKSA-N	0	0	182.307	3.162	10	0		AGAERN
Cl/C=C1\CCCC=C1Cl	238539273	572783396	/nfs/dbraw/zinc/78/33/96/572783396.db2.gz	NYCXYUYBQSNLJI-AATRIKPKSA-N	0	0	163.047	3.416	10	0		AGAERN
C=C/C=C/CCC[C@H](O)C(C)(C)C	713751623	572783451	/nfs/dbraw/zinc/78/34/51/572783451.db2.gz	ZBCXFQBICZSTPN-MLRMMBSGSA-N	0	0	182.307	3.306	10	0		AGAERN
C=C/C=C\CC[C@H](C(C)C)[C@@H](C)O	713750938	572783487	/nfs/dbraw/zinc/78/34/87/572783487.db2.gz	WFMCJDGAXCUFDS-UXFRKABBSA-N	0	0	182.307	3.162	10	0		AGAERN
CCc1ccc([C@@H](CC)[C@@H](C)O)cc1	85658321	572783526	/nfs/dbraw/zinc/78/35/26/572783526.db2.gz	OSZDFVZQGIJUHH-MFKMUULPSA-N	0	0	192.302	3.123	10	0		AGAERN
CC[C@@](C)(CO)CC1(C)CCCC1	308129094	572783652	/nfs/dbraw/zinc/78/36/52/572783652.db2.gz	HBUMZYMOTPVJBB-LLVKDONJSA-N	0	0	184.323	3.365	10	0		AGAERN
CCC[C@H](C)C[C@H](O)C1(CC)CC1	308128911	572783690	/nfs/dbraw/zinc/78/36/90/572783690.db2.gz	CNXPGOHRLZHGII-QWRGUYRKSA-N	0	0	184.323	3.364	10	0		AGAERN
C/C=C/C(C)=C/[C@@H](C)[C@@H](O)/C=C/C	308120495	572783703	/nfs/dbraw/zinc/78/37/03/572783703.db2.gz	GWROKAVQVKRDEH-KLNOHYGHSA-N	0	0	180.291	3.082	10	0		AGAERN
CCC[C@@H](C)C[C@@H](O)C1(CC)CC1	308128903	572783707	/nfs/dbraw/zinc/78/37/07/572783707.db2.gz	CNXPGOHRLZHGII-GHMZBOCLSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)C[C@H](c1ccccc1)[C@@H](C)O	85658902	572783716	/nfs/dbraw/zinc/78/37/16/572783716.db2.gz	DSRFPUDMAANWFD-YPMHNXCESA-N	0	0	192.302	3.197	10	0		AGAERN
CC(C)C[C@H](c1ccccc1)[C@H](C)O	85658906	572783943	/nfs/dbraw/zinc/78/39/43/572783943.db2.gz	DSRFPUDMAANWFD-AAEUAGOBSA-N	0	0	192.302	3.197	10	0		AGAERN
CCc1ccc([C@H](CC)C(C)=O)cc1	85662307	572784251	/nfs/dbraw/zinc/78/42/51/572784251.db2.gz	ZLSMUXUQMCKBTF-CYBMUJFWSA-N	0	0	190.286	3.332	10	0		AGAERN
CC(C)C[C@H](C)[C@H](CO)CC(C)C	308129457	572784332	/nfs/dbraw/zinc/78/43/32/572784332.db2.gz	BHZXZVPYZCTRKM-RYUDHWBXSA-N	0	0	186.339	3.323	10	0		AGAERN
CCc1ccc([C@@H](CC)C(C)=O)cc1	85662305	572784384	/nfs/dbraw/zinc/78/43/84/572784384.db2.gz	ZLSMUXUQMCKBTF-ZDUSSCGKSA-N	0	0	190.286	3.332	10	0		AGAERN
CC(C)C[C@@H](C)[C@H](CO)CC(C)C	308129455	572784408	/nfs/dbraw/zinc/78/44/08/572784408.db2.gz	BHZXZVPYZCTRKM-NEPJUHHUSA-N	0	0	186.339	3.323	10	0		AGAERN
CCC[C@@](O)(CCC1CC1)C1CC1	308129005	572784433	/nfs/dbraw/zinc/78/44/33/572784433.db2.gz	AXVNUUMADRIHIB-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
C/C=C\[C@H](O)[C@H](C)/C=C(C)\C=C\C	308120496	572784511	/nfs/dbraw/zinc/78/45/11/572784511.db2.gz	GWROKAVQVKRDEH-TXIWBODMSA-N	0	0	180.291	3.082	10	0		AGAERN
CC(C)C[C@@H](c1ccccc1)[C@H](C)O	85658904	572784653	/nfs/dbraw/zinc/78/46/53/572784653.db2.gz	DSRFPUDMAANWFD-WCQYABFASA-N	0	0	192.302	3.197	10	0		AGAERN
CC[C@H](C)c1cc(C)cc(O)c1	141587665	572784935	/nfs/dbraw/zinc/78/49/35/572784935.db2.gz	XCLJSERQRNTSPQ-VIFPVBQESA-N	0	0	164.248	3.214	10	0		AGAERN
CCc1ccc([C@H](CC)[C@H](C)O)cc1	85658326	572784983	/nfs/dbraw/zinc/78/49/83/572784983.db2.gz	OSZDFVZQGIJUHH-GXFFZTMASA-N	0	0	192.302	3.123	10	0		AGAERN
CCC[C@](O)(CCC1CC1)C1CC1	308129008	572785002	/nfs/dbraw/zinc/78/50/02/572785002.db2.gz	AXVNUUMADRIHIB-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@](C)(CO)CC1(C)CCCC1	308129097	572785110	/nfs/dbraw/zinc/78/51/10/572785110.db2.gz	HBUMZYMOTPVJBB-NSHDSACASA-N	0	0	184.323	3.365	10	0		AGAERN
CCc1ccc([C@H](CC)[C@@H](C)O)cc1	85658322	572785153	/nfs/dbraw/zinc/78/51/53/572785153.db2.gz	OSZDFVZQGIJUHH-ZWNOBZJWSA-N	0	0	192.302	3.123	10	0		AGAERN
Cc1ccc2c(c1)-c1cccc(O)c1C2	238548913	572785577	/nfs/dbraw/zinc/78/55/77/572785577.db2.gz	FYJHSNGSLGVNKZ-UHFFFAOYSA-N	0	0	196.249	3.272	10	0		AGAERN
Cc1cccc2c(OC3CC3)ccnc12	238533330	572785798	/nfs/dbraw/zinc/78/57/98/572785798.db2.gz	HPQLLQZJHLJFDJ-UHFFFAOYSA-N	0	0	199.253	3.084	10	0		AGAERN
Cc1cccc2c1[nH]c1c(C)nccc12	238534067	572786110	/nfs/dbraw/zinc/78/61/10/572786110.db2.gz	SZEZLZGOVVYUGC-UHFFFAOYSA-N	0	0	196.253	3.333	10	0		AGAERN
Cc1cccc2c(C=O)c(C3CC3)[nH]c12	238533187	572786249	/nfs/dbraw/zinc/78/62/49/572786249.db2.gz	JORNNFQBFQWIQJ-UHFFFAOYSA-N	0	0	199.253	3.166	10	0		AGAERN
CCCCCCNc1cccnc1C	85711974	572786631	/nfs/dbraw/zinc/78/66/31/572786631.db2.gz	QHXLRRPONAIIJZ-UHFFFAOYSA-N	0	0	192.306	3.382	10	0		AGAERN
CC/C=C/[C@H](C)Cc1cccnc1	714550175	572787249	/nfs/dbraw/zinc/78/72/49/572787249.db2.gz	QQOQSMHGWXOJSV-MALLOTDXSA-N	0	0	175.275	3.226	10	0		AGAERN
C=C/C=C/CC[C@]1(C)CCC(=O)C1	713755327	572788635	/nfs/dbraw/zinc/78/86/35/572788635.db2.gz	XVXANYUODZSQFL-ZYOFXKKJSA-N	0	0	178.275	3.268	10	0		AGAERN
CC(C)C[C@H](C)C(=O)CC(F)(F)F	308131279	572788683	/nfs/dbraw/zinc/78/86/83/572788683.db2.gz	DYKZUSAQIQGXMS-ZETCQYMHSA-N	0	0	196.212	3.190	10	0		AGAERN
CCCCC/C=C/C/C=C\CO	117799772	572788846	/nfs/dbraw/zinc/78/88/46/572788846.db2.gz	DIAHHRRJYUXCRL-KQHSAVHASA-N	0	0	168.280	3.062	10	0		AGAERN
CC(C)C[C@@H](C)C(=O)CC(F)(F)F	308131278	572789128	/nfs/dbraw/zinc/78/91/28/572789128.db2.gz	DYKZUSAQIQGXMS-SSDOTTSWSA-N	0	0	196.212	3.190	10	0		AGAERN
Cn1ccc(-c2ccc3ccoc3c2)c1	238540892	572789226	/nfs/dbraw/zinc/78/92/26/572789226.db2.gz	GISBMHXHBCLKKK-UHFFFAOYSA-N	0	0	197.237	3.438	10	0		AGAERN
CC(C)c1ccc2cccnc2c1O	141648285	572789235	/nfs/dbraw/zinc/78/92/35/572789235.db2.gz	CFOPJJZYRHJYIN-UHFFFAOYSA-N	0	0	187.242	3.064	10	0		AGAERN
Cc1c(O)ccc2c1Cc1ccccc1-2	238541513	572789261	/nfs/dbraw/zinc/78/92/61/572789261.db2.gz	HWBTZDOYTNUAMS-UHFFFAOYSA-N	0	0	196.249	3.272	10	0		AGAERN
CCCC/C(=C\C=C/Cl)OC	307767621	572789356	/nfs/dbraw/zinc/78/93/56/572789356.db2.gz	BXERRFIFBDUCFF-ANVCMGODSA-N	0	0	174.671	3.459	10	0		AGAERN
Nc1ccccc1C=C(Cl)Cl	141614840	572789466	/nfs/dbraw/zinc/78/94/66/572789466.db2.gz	KOBKKRQJMJGILK-UHFFFAOYSA-N	0	0	188.057	3.045	10	0		AGAERN
C=C/C=C\CC[C@@H]1CCC(=O)[C@@H]1C	713753657	572789526	/nfs/dbraw/zinc/78/95/26/572789526.db2.gz	RMUZOIKJUYUQMI-WQMVXFAESA-N	0	0	178.275	3.124	10	0		AGAERN
CCC[C@H](CO)CC1(C)CCCC1	308128384	572789801	/nfs/dbraw/zinc/78/98/01/572789801.db2.gz	GFJNQYICWLHBQO-NSHDSACASA-N	0	0	184.323	3.365	10	0		AGAERN
C=C/C(C)=C/C[C@@H]1CCCC[C@@H]1O	308127978	572789859	/nfs/dbraw/zinc/78/98/59/572789859.db2.gz	CZJXPBGEDLEVTQ-IMNITIESSA-N	0	0	180.291	3.060	10	0		AGAERN
CCC[C@H](C)[C@H](O)[C@H](C)C(C)(C)C	308127649	572791342	/nfs/dbraw/zinc/79/13/42/572791342.db2.gz	ADVYYMSJCYKUGK-DCAQKATOSA-N	0	0	186.339	3.466	10	0		AGAERN
CCC[C@H](C)[C@H](O)[C@@H](C)C(C)(C)C	308127647	572790014	/nfs/dbraw/zinc/79/00/14/572790014.db2.gz	ADVYYMSJCYKUGK-AXFHLTTASA-N	0	0	186.339	3.466	10	0		AGAERN
CCCCC/C=C\C/C=C/CO	117799773	572790325	/nfs/dbraw/zinc/79/03/25/572790325.db2.gz	DIAHHRRJYUXCRL-IXWMQOLASA-N	0	0	168.280	3.062	10	0		AGAERN
C=C/C=C/CC[C@@H]1CCC(=O)[C@@H]1C	713753659	572790510	/nfs/dbraw/zinc/79/05/10/572790510.db2.gz	RMUZOIKJUYUQMI-XKFHPXPTSA-N	0	0	178.275	3.124	10	0		AGAERN
CCCCCC[C@@H](O)/C=C/Cl	307768868	572790708	/nfs/dbraw/zinc/79/07/08/572790708.db2.gz	DHVRDQDJUCWQGO-FCZSHJHJSA-N	0	0	176.687	3.070	10	0		AGAERN
Cn1ccc(-c2ccc3occc3c2)c1	238540921	572790791	/nfs/dbraw/zinc/79/07/91/572790791.db2.gz	DRQAPFISBOLOMA-UHFFFAOYSA-N	0	0	197.237	3.438	10	0		AGAERN
CCCCCC[C@H](O)/C=C/Cl	307768869	572790804	/nfs/dbraw/zinc/79/08/04/572790804.db2.gz	DHVRDQDJUCWQGO-FLOXNTQESA-N	0	0	176.687	3.070	10	0		AGAERN
CC/C=C\[C@@H]1C=CCC=CC1	30731603	572791083	/nfs/dbraw/zinc/79/10/83/572791083.db2.gz	KIFXGGYCNMHCSX-DZHRUPLWSA-N	0	0	148.249	3.475	10	0	in-vitro	AGAERN
Cn1ccc2c3c(ccc21)[C@@H]1C=C[C@H]3C1	238541316	572791102	/nfs/dbraw/zinc/79/11/02/572791102.db2.gz	ZDFWKEURJKWMAD-ZJUUUORDSA-N	0	0	195.265	3.319	10	0		AGAERN
CCC[C@H](C)[C@@H](O)[C@@H](C)C(C)(C)C	308127653	572791513	/nfs/dbraw/zinc/79/15/13/572791513.db2.gz	ADVYYMSJCYKUGK-HBNTYKKESA-N	0	0	186.339	3.466	10	0		AGAERN
C/C(C/C=C\CO)=C(\C)[Si](C)(C)C	308127986	572791928	/nfs/dbraw/zinc/79/19/28/572791928.db2.gz	DAKFNKADTRYFNU-QOXWLJPHSA-N	0	0	198.382	3.139	10	0		AGAERN
CCCC1([C@H](O)C2CCCC2)CC1	308128214	572792253	/nfs/dbraw/zinc/79/22/53/572792253.db2.gz	CCHGOAJMOQYZEY-LLVKDONJSA-N	0	0	182.307	3.118	10	0		AGAERN
CCCC1([C@@H](O)C2CCCC2)CC1	308128215	572792115	/nfs/dbraw/zinc/79/21/15/572792115.db2.gz	CCHGOAJMOQYZEY-NSHDSACASA-N	0	0	182.307	3.118	10	0		AGAERN
CCC[C@@H](CO)CC1(C)CCCC1	308128383	572792352	/nfs/dbraw/zinc/79/23/52/572792352.db2.gz	GFJNQYICWLHBQO-LLVKDONJSA-N	0	0	184.323	3.365	10	0		AGAERN
CCC[C@H](C)[C@@H](O)[C@H](C)C(C)(C)C	308127651	572792557	/nfs/dbraw/zinc/79/25/57/572792557.db2.gz	ADVYYMSJCYKUGK-GARJFASQSA-N	0	0	186.339	3.466	10	0		AGAERN
C/C=C(/C)[C@H](O)CCCCCC	307934575	572792559	/nfs/dbraw/zinc/79/25/59/572792559.db2.gz	JGTITGRGOPZFAT-GULOHRGCSA-N	0	0	170.296	3.284	10	0		AGAERN
CC/C(C)=C(/CC)C/C=C\CO	307935499	572792956	/nfs/dbraw/zinc/79/29/56/572792956.db2.gz	HWEUJLYWHZCGMH-QOXWLJPHSA-N	0	0	168.280	3.062	10	0		AGAERN
CC/C(C)=C(\CC)C/C=C\CO	307935497	572793061	/nfs/dbraw/zinc/79/30/61/572793061.db2.gz	HWEUJLYWHZCGMH-JFEAUALZSA-N	0	0	168.280	3.062	10	0		AGAERN
C/C=C\c1cccc(/C=C\C)c1O	117880567	572793250	/nfs/dbraw/zinc/79/32/50/572793250.db2.gz	DKFLZMGNPOOWLB-VKOMYYDGSA-N	0	0	174.243	3.458	10	0		AGAERN
CC/C=C\[C@@]1(F)C=CC=CC1	307936138	572794145	/nfs/dbraw/zinc/79/41/45/572794145.db2.gz	YIBLIJBKOKWOGI-WXGCRTCVSA-N	0	0	152.212	3.177	10	0		AGAERN
CC[C@@H](C)CC(=O)C1(CC)CC1	308132246	572795054	/nfs/dbraw/zinc/79/50/54/572795054.db2.gz	YEBUMSODKOJSGJ-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
C[C@@H]1CC(C)(C)C[C@]1(O)CCC1CC1	235342482	572794242	/nfs/dbraw/zinc/79/42/42/572794242.db2.gz	REEXRVIQWQBKPN-ZWNOBZJWSA-N	0	0	196.334	3.364	10	0		AGAERN
Nc1ccc(CC2CCCC2)s1	257564187	572794687	/nfs/dbraw/zinc/79/46/87/572794687.db2.gz	ZKHUTQVDCOGSAF-UHFFFAOYSA-N	0	0	181.304	3.063	10	0		AGAERN
C/C=C(/C)[C@@H](O)CCCCCC	307934577	572794782	/nfs/dbraw/zinc/79/47/82/572794782.db2.gz	JGTITGRGOPZFAT-VQNWOSHQSA-N	0	0	170.296	3.284	10	0		AGAERN
Nc1sccc1CC1CCCCC1	257563520	572795083	/nfs/dbraw/zinc/79/50/83/572795083.db2.gz	GYMUPRXHTSYOCI-UHFFFAOYSA-N	0	0	195.331	3.453	10	0		AGAERN
Nc1sccc1CC1CCCC1	257563623	572795513	/nfs/dbraw/zinc/79/55/13/572795513.db2.gz	IRAWANDGTOMWKY-UHFFFAOYSA-N	0	0	181.304	3.063	10	0		AGAERN
Cc1cc(F)c2nc(C)sc2c1	141676585	572795592	/nfs/dbraw/zinc/79/55/92/572795592.db2.gz	OOMSDYJXGKTBIP-UHFFFAOYSA-N	0	0	181.235	3.052	10	0		AGAERN
C/C=C\c1cccc(/C=C/C)c1O	117880569	572795647	/nfs/dbraw/zinc/79/56/47/572795647.db2.gz	DKFLZMGNPOOWLB-UCZKPGLMSA-N	0	0	174.243	3.458	10	0		AGAERN
Nc1ccc(CC2CCCCC2)s1	257563460	572796068	/nfs/dbraw/zinc/79/60/68/572796068.db2.gz	CVVXKCXOFYSCGS-UHFFFAOYSA-N	0	0	195.331	3.453	10	0		AGAERN
C[C@@H]1CC(C)(C)C[C@]1(O)C1CCCC1	235342012	572797621	/nfs/dbraw/zinc/79/76/21/572797621.db2.gz	FJEQPKQEEVLUKG-ZWNOBZJWSA-N	0	0	196.334	3.364	10	0		AGAERN
CCCC[C@H](O)[C@H](F)CCCC	307937176	572797699	/nfs/dbraw/zinc/79/76/99/572797699.db2.gz	OELWIZQHVACIJI-ZJUUUORDSA-N	0	0	176.275	3.066	10	0		AGAERN
CC(C)=C[C@@]1(O)CC(C)(C)C[C@H]1C	235342162	572797909	/nfs/dbraw/zinc/79/79/09/572797909.db2.gz	CADHCMDILZDJMA-ZYHUDNBSSA-N	0	0	182.307	3.140	10	0		AGAERN
C[C@H]1CC[C@@H](C)C[C@]1(O)CCC1CC1	235340981	572798473	/nfs/dbraw/zinc/79/84/73/572798473.db2.gz	UHIUOYIPHDAGAY-NTZNESFSSA-N	0	0	196.334	3.364	10	0		AGAERN
CSc1c(N)coc1CCC(C)C	257566443	572798788	/nfs/dbraw/zinc/79/87/88/572798788.db2.gz	BCNWZAOQXVMZAP-UHFFFAOYSA-N	0	0	199.319	3.172	10	0		AGAERN
C[C@@H]1CCC[C@@H](C(=O)[C@@H]2CC2(C)C)C1	235341811	572798856	/nfs/dbraw/zinc/79/88/56/572798856.db2.gz	DQHPLYHOIMDKFJ-MXWKQRLJSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(=O)[C@@H]1C[C@H]1c1cc(C)sc1C	49685328	572799667	/nfs/dbraw/zinc/79/96/67/572799667.db2.gz	MBKAFJXFLTYBHD-GXSJLCMTSA-N	0	0	194.299	3.057	10	0		AGAERN
C/C=C/[C@@H](C)[C@H](O)CCCCC	307939490	572799968	/nfs/dbraw/zinc/79/99/68/572799968.db2.gz	LSWAXKXDQGRFMU-GBUKMUNPSA-N	0	0	170.296	3.140	10	0		AGAERN
C/C=C\[C@@H](C)[C@H](O)CCCCC	307939491	572800397	/nfs/dbraw/zinc/80/03/97/572800397.db2.gz	LSWAXKXDQGRFMU-UGMIWWEVSA-N	0	0	170.296	3.140	10	0		AGAERN
C[C@@H]1CC(C)(C)C[C@]1(O)C(C)(C)C	235341196	572800494	/nfs/dbraw/zinc/80/04/94/572800494.db2.gz	DPVZARAOQANMLQ-BXKDBHETSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC/C=C\C(=C/CCC)CO	307937723	572801009	/nfs/dbraw/zinc/80/10/09/572801009.db2.gz	PSUNAHWMUIGLQQ-BYSFRFKNSA-N	0	0	168.280	3.062	10	0		AGAERN
CCC/C=C\C(=C\CCC)CO	307937724	572801120	/nfs/dbraw/zinc/80/11/20/572801120.db2.gz	PSUNAHWMUIGLQQ-JLUCNAMBSA-N	0	0	168.280	3.062	10	0		AGAERN
C=C/C=C/CC[C@]1(C)CCC[C@]1(C)O	713757671	572802615	/nfs/dbraw/zinc/80/26/15/572802615.db2.gz	LPFGQVDOTRHQET-PBJSTTKNSA-N	0	0	194.318	3.450	10	0		AGAERN
CCC/C=C/C(=C\CCC)CO	307937722	572801489	/nfs/dbraw/zinc/80/14/89/572801489.db2.gz	PSUNAHWMUIGLQQ-BIZFVBGRSA-N	0	0	168.280	3.062	10	0		AGAERN
CSc1c(N)coc1CC(C)(C)C	257566974	572801495	/nfs/dbraw/zinc/80/14/95/572801495.db2.gz	NFWBUBGZGRMCAZ-UHFFFAOYSA-N	0	0	199.319	3.172	10	0		AGAERN
CSc1cc(N)oc1CC(C)(C)C	257567432	572801590	/nfs/dbraw/zinc/80/15/90/572801590.db2.gz	XZDXGXSYIIBUAQ-UHFFFAOYSA-N	0	0	199.319	3.172	10	0		AGAERN
COCc1csc2ccc(C)cc12	118006060	572801656	/nfs/dbraw/zinc/80/16/56/572801656.db2.gz	WHFPYNIOPNIOJR-UHFFFAOYSA-N	0	0	192.283	3.356	10	0		AGAERN
CN(c1ccccc1)c1cccc(O)c1	118019224	572801690	/nfs/dbraw/zinc/80/16/90/572801690.db2.gz	IZOHZBMGVGKMOO-UHFFFAOYSA-N	0	0	199.253	3.160	10	0		AGAERN
C=C/C=C\CC[C@@H]1CCCC[C@@]1(C)O	713757469	572801756	/nfs/dbraw/zinc/80/17/56/572801756.db2.gz	JGCWZFUOAKPNFG-DIABFLQPSA-N	0	0	194.318	3.450	10	0		AGAERN
CC(=O)c1ccc2[nH]ccc2c1Cl	75068102	572801809	/nfs/dbraw/zinc/80/18/09/572801809.db2.gz	IQDFQMOYSHPIRB-UHFFFAOYSA-N	0	0	193.633	3.024	10	0		AGAERN
CC[C@@H](c1ccc(Cl)cc1)N(C)O	75068380	572802160	/nfs/dbraw/zinc/80/21/60/572802160.db2.gz	UBCNHIQSLPDIJN-JTQLQIEISA-N	0	0	199.681	3.112	10	0		AGAERN
Cc1ccc(CC(=O)C(C)C)cc1C	49669249	572802162	/nfs/dbraw/zinc/80/21/62/572802162.db2.gz	BUZOJHWTTIZQQT-UHFFFAOYSA-N	0	0	190.286	3.071	10	0		AGAERN
CC1=C[C@H](C)C[C@H]([C@@H](O)C2CCC2)C1	235353288	572802274	/nfs/dbraw/zinc/80/22/74/572802274.db2.gz	BSQRPOPFBIQXAQ-XDTLVQLUSA-N	0	0	194.318	3.140	10	0		AGAERN
C=C/C=C/CC[C@@H]1CCCC[C@@]1(C)O	713757474	572802802	/nfs/dbraw/zinc/80/28/02/572802802.db2.gz	JGCWZFUOAKPNFG-IJWDBEHRSA-N	0	0	194.318	3.450	10	0		AGAERN
C/C(=C/CCCO)C[Si](C)(C)C	307940692	572802497	/nfs/dbraw/zinc/80/24/97/572802497.db2.gz	NBADNNDALKJUCX-YFHOEESVSA-N	0	0	186.371	3.043	10	0		AGAERN
CC(=O)[C@H]1C[C@H]1c1cc(C)sc1C	49685323	572802526	/nfs/dbraw/zinc/80/25/26/572802526.db2.gz	MBKAFJXFLTYBHD-MWLCHTKSSA-N	0	0	194.299	3.057	10	0		AGAERN
CC(=O)[C@H]1C[C@@H]1c1cc(C)sc1C	49685325	572802568	/nfs/dbraw/zinc/80/25/68/572802568.db2.gz	MBKAFJXFLTYBHD-KOLCDFICSA-N	0	0	194.299	3.057	10	0		AGAERN
C[C@H](F)CCSCc1ccco1	307939881	572802741	/nfs/dbraw/zinc/80/27/41/572802741.db2.gz	BFBKUJHNDAHRCH-QMMMGPOBSA-N	0	0	188.267	3.261	10	0		AGAERN
C1=C[C@@H](c2ccco2)Nc2ccccc21	238554014	572802827	/nfs/dbraw/zinc/80/28/27/572802827.db2.gz	BLWLAJCIVSGTJN-LBPRGKRZSA-N	0	0	197.237	3.460	10	0		AGAERN
CC[C@@](C)(O)Cc1ccc(C)c(C)c1	49669155	572802842	/nfs/dbraw/zinc/80/28/42/572802842.db2.gz	OTALLBMSDNUPCZ-CYBMUJFWSA-N	0	0	192.302	3.007	10	0		AGAERN
C/C=C\C[C@@H](O)c1ccc(Cl)cc1	118015885	572802945	/nfs/dbraw/zinc/80/29/45/572802945.db2.gz	BGXQLIRULLBJQK-OTDNITJGSA-N	0	0	196.677	3.340	10	0		AGAERN
Cc1c(Cl)ccc2c1NCC21CC1	75068108	572803027	/nfs/dbraw/zinc/80/30/27/572803027.db2.gz	BWESZTYHVLTGCK-UHFFFAOYSA-N	0	0	193.677	3.106	10	0		AGAERN
Cc1coc2cccc(Cl)c12	118005084	572803058	/nfs/dbraw/zinc/80/30/58/572803058.db2.gz	IVSJENKFGUJOGR-UHFFFAOYSA-N	0	0	166.607	3.395	10	0		AGAERN
CC(=O)[C@@H]1C[C@@H]1c1cc(C)sc1C	49685329	572803095	/nfs/dbraw/zinc/80/30/95/572803095.db2.gz	MBKAFJXFLTYBHD-ONGXEEELSA-N	0	0	194.299	3.057	10	0		AGAERN
C=C/C=C\CC[C@]1(C)CCC[C@]1(C)O	713757672	572803202	/nfs/dbraw/zinc/80/32/02/572803202.db2.gz	LPFGQVDOTRHQET-QLQVPFRHSA-N	0	0	194.318	3.450	10	0		AGAERN
CC(=O)c1coc2cc(Cl)ccc12	75068129	572803290	/nfs/dbraw/zinc/80/32/90/572803290.db2.gz	FIPHYEUDGYGANA-UHFFFAOYSA-N	0	0	194.617	3.289	10	0		AGAERN
Cc1cc([C@H](C)N(C)O)ccc1Cl	75068383	572803314	/nfs/dbraw/zinc/80/33/14/572803314.db2.gz	RHBMRFYEPKULKG-QMMMGPOBSA-N	0	0	199.681	3.030	10	0		AGAERN
C=C/C=C/CC[C@@H]1CCCC[C@]1(C)O	713757470	572803636	/nfs/dbraw/zinc/80/36/36/572803636.db2.gz	JGCWZFUOAKPNFG-DRHCNIFCSA-N	0	0	194.318	3.450	10	0		AGAERN
C[C@@H](F)CCSCc1ccco1	307939880	572803646	/nfs/dbraw/zinc/80/36/46/572803646.db2.gz	BFBKUJHNDAHRCH-MRVPVSSYSA-N	0	0	188.267	3.261	10	0		AGAERN
CSc1cc(N)oc1CCC(C)C	257567189	572803767	/nfs/dbraw/zinc/80/37/67/572803767.db2.gz	ROBPOBUJSXVIGR-UHFFFAOYSA-N	0	0	199.319	3.172	10	0		AGAERN
CC[C@H](c1ccc(Cl)cc1)N(C)O	75068381	572803821	/nfs/dbraw/zinc/80/38/21/572803821.db2.gz	UBCNHIQSLPDIJN-SNVBAGLBSA-N	0	0	199.681	3.112	10	0		AGAERN
Nc1ccc(-c2ccc(Cl)o2)s1	257567168	572803828	/nfs/dbraw/zinc/80/38/28/572803828.db2.gz	QXAAZMYVEDOFGP-UHFFFAOYSA-N	0	0	199.662	3.244	10	0		AGAERN
CSc1cc(N)sc1CC1CC1	257567431	572803831	/nfs/dbraw/zinc/80/38/31/572803831.db2.gz	XYCQGMSKOYMKOG-UHFFFAOYSA-N	0	0	199.344	3.005	10	0		AGAERN
Cc1c(Cl)ccc2c1NC1(CC1)C2	75068107	572803894	/nfs/dbraw/zinc/80/38/94/572803894.db2.gz	GGJBZUBOBXRVDO-UHFFFAOYSA-N	0	0	193.677	3.149	10	0		AGAERN
CC(=O)c1cc(Cl)c2cc[nH]c2c1	75068101	572804075	/nfs/dbraw/zinc/80/40/75/572804075.db2.gz	CRRWABWXNRWUFN-UHFFFAOYSA-N	0	0	193.633	3.024	10	0		AGAERN
CC/C=C\[C@H](O)c1ccc(Cl)cc1	117998471	572804210	/nfs/dbraw/zinc/80/42/10/572804210.db2.gz	QNUNLPOCNYOTKX-BYCRGOAPSA-N	0	0	196.677	3.340	10	0		AGAERN
Cc1ccc(C(=O)CC2CC2)s1	49729076	572804527	/nfs/dbraw/zinc/80/45/27/572804527.db2.gz	GZCQKXFSMCJSPA-UHFFFAOYSA-N	0	0	180.272	3.039	10	0		AGAERN
C1=C[C@H](c2ccco2)Nc2ccccc21	238553889	572804552	/nfs/dbraw/zinc/80/45/52/572804552.db2.gz	BLWLAJCIVSGTJN-GFCCVEGCSA-N	0	0	197.237	3.460	10	0		AGAERN
CC/C=C(\C)[C@@H](O)CCC=C(C)C	167787388	572804579	/nfs/dbraw/zinc/80/45/79/572804579.db2.gz	WAWYLYQTCPNJQN-VNKGSWCUSA-N	0	0	182.307	3.450	10	0		AGAERN
CC/C=C\[C@@H](O)c1ccc(Cl)cc1	117998466	572804669	/nfs/dbraw/zinc/80/46/69/572804669.db2.gz	QNUNLPOCNYOTKX-DLRQAJBASA-N	0	0	196.677	3.340	10	0		AGAERN
COCc1csc2cc(C)ccc12	118015798	572804715	/nfs/dbraw/zinc/80/47/15/572804715.db2.gz	QZQLJQXQNUNLPU-UHFFFAOYSA-N	0	0	192.283	3.356	10	0		AGAERN
Cc1cc([C@@H](C)N(C)O)ccc1Cl	75068382	572805041	/nfs/dbraw/zinc/80/50/41/572805041.db2.gz	RHBMRFYEPKULKG-MRVPVSSYSA-N	0	0	199.681	3.030	10	0		AGAERN
CCc1oc(N)cc1CC(C)(C)C	257583843	572805042	/nfs/dbraw/zinc/80/50/42/572805042.db2.gz	OSFSTEBGEOOFKZ-UHFFFAOYSA-N	0	0	181.279	3.013	10	0		AGAERN
Cc1cccc(-c2cc(N)oc2C)c1	257583886	572805587	/nfs/dbraw/zinc/80/55/87/572805587.db2.gz	SLSYERSLGXWYRF-UHFFFAOYSA-N	0	0	187.242	3.146	10	0		AGAERN
O[C@@H](CC1CC1)c1ccc(Cl)cc1	49731692	572806237	/nfs/dbraw/zinc/80/62/37/572806237.db2.gz	JLALSRODUTZZPW-NSHDSACASA-N	0	0	196.677	3.174	10	0		AGAERN
O=C(CC1CC1)c1c[nH]c2ccccc12	49729101	572806484	/nfs/dbraw/zinc/80/64/84/572806484.db2.gz	XSAGNJWUNSVHQA-UHFFFAOYSA-N	0	0	199.253	3.151	10	0		AGAERN
C/C(=C\C/C=C/c1ccccc1)CO	204992684	572806488	/nfs/dbraw/zinc/80/64/88/572806488.db2.gz	VRXHKVMAWYLSSJ-QXZILWSFSA-N	0	0	188.270	3.029	10	0		AGAERN
C[C@H](c1ccccc1)c1coc(N)c1	257583855	572806577	/nfs/dbraw/zinc/80/65/77/572806577.db2.gz	PSPJAQUFUNCDRL-SECBINFHSA-N	0	0	187.242	3.014	10	0		AGAERN
Cc1cc(C(=O)CC2CC2)c(C)s1	49729107	572806665	/nfs/dbraw/zinc/80/66/65/572806665.db2.gz	FTDUYYSQADAJCG-UHFFFAOYSA-N	0	0	194.299	3.348	10	0		AGAERN
C[C@@H](c1ccccc1)c1coc(N)c1	257583856	572806772	/nfs/dbraw/zinc/80/67/72/572806772.db2.gz	PSPJAQUFUNCDRL-VIFPVBQESA-N	0	0	187.242	3.014	10	0		AGAERN
CCc1oc(N)cc1-c1ccccc1	257583853	572806902	/nfs/dbraw/zinc/80/69/02/572806902.db2.gz	PNZAEISOCXBISI-UHFFFAOYSA-N	0	0	187.242	3.091	10	0		AGAERN
Cc1ccc(C(=O)CC2CC2)cc1C	49729121	572807063	/nfs/dbraw/zinc/80/70/63/572807063.db2.gz	GCMMDSZMGLUXNS-UHFFFAOYSA-N	0	0	188.270	3.286	10	0		AGAERN
Cc1ccc(C(=O)CC2CC2)c(C)c1	49729040	572807078	/nfs/dbraw/zinc/80/70/78/572807078.db2.gz	DIGQZVWYRRAAQK-UHFFFAOYSA-N	0	0	188.270	3.286	10	0		AGAERN
Cc1ccc(C)c([C@H](O)CC2CC2)c1	49731784	572807094	/nfs/dbraw/zinc/80/70/94/572807094.db2.gz	OMVJZTSKWDZJLE-CYBMUJFWSA-N	0	0	190.286	3.137	10	0		AGAERN
O[C@H](CC1CC1)c1ccc(Cl)cc1	49731689	572807308	/nfs/dbraw/zinc/80/73/08/572807308.db2.gz	JLALSRODUTZZPW-LLVKDONJSA-N	0	0	196.677	3.174	10	0		AGAERN
Cc1ccsc1C(=O)CC1CC1	49771047	572807678	/nfs/dbraw/zinc/80/76/78/572807678.db2.gz	ZYWFWGBZMFMTSR-UHFFFAOYSA-N	0	0	180.272	3.039	10	0		AGAERN
Cc1ccc([C@@H](O)CC2CC2)c(C)c1	49731735	572807832	/nfs/dbraw/zinc/80/78/32/572807832.db2.gz	YXZAPWXOXJMNSP-ZDUSSCGKSA-N	0	0	190.286	3.137	10	0		AGAERN
C=C/C=C/CCCC[C@@H](O)CC	713760406	572807949	/nfs/dbraw/zinc/80/79/49/572807949.db2.gz	UTURYJLGGUUHTO-QRGHLMKCSA-N	0	0	168.280	3.060	10	0		AGAERN
Cc1ccc([C@H](O)CC2CC2)c(C)c1	49731734	572807994	/nfs/dbraw/zinc/80/79/94/572807994.db2.gz	YXZAPWXOXJMNSP-CYBMUJFWSA-N	0	0	190.286	3.137	10	0		AGAERN
C=C/C=C\CCCC[C@@H](O)CC	713760393	572808099	/nfs/dbraw/zinc/80/80/99/572808099.db2.gz	UTURYJLGGUUHTO-GZTOBOFZSA-N	0	0	168.280	3.060	10	0		AGAERN
CC(=O)CCSCCCC(C)C	307942221	572808155	/nfs/dbraw/zinc/80/81/55/572808155.db2.gz	CXCQIFAQWDHUEX-UHFFFAOYSA-N	0	0	188.336	3.135	10	0		AGAERN
Cc1ccc(C)c(C(=O)CC2CC2)c1	49729004	572808209	/nfs/dbraw/zinc/80/82/09/572808209.db2.gz	TWEXBFSLCIOYDT-UHFFFAOYSA-N	0	0	188.270	3.286	10	0		AGAERN
C=C/C=C\CCCC[C@H](O)C(C)C	713759842	572808413	/nfs/dbraw/zinc/80/84/13/572808413.db2.gz	UDVAKYDNTILGCV-FJOGCWAESA-N	0	0	182.307	3.306	10	0		AGAERN
C=C/C=C\CCCC[C@H](O)CC	713760396	572808430	/nfs/dbraw/zinc/80/84/30/572808430.db2.gz	UTURYJLGGUUHTO-ISALQUGTSA-N	0	0	168.280	3.060	10	0		AGAERN
Cc1cnc2c(c1)CC[C@@H](C)[C@H]2C	49805263	572809288	/nfs/dbraw/zinc/80/92/88/572809288.db2.gz	UKHASBCBECIBBQ-NXEZZACHSA-N	0	0	175.275	3.076	10	0		AGAERN
Cc1cc(C)c2cc(C)cnc2c1	49805038	572808800	/nfs/dbraw/zinc/80/88/00/572808800.db2.gz	TXGNFJZLXVHSDO-UHFFFAOYSA-N	0	0	171.243	3.160	10	0		AGAERN
CC(C)c1cnc2c(c1)CC[C@@H](C)C2	49806531	572808928	/nfs/dbraw/zinc/80/89/28/572808928.db2.gz	AZAYQSONANVQIG-SNVBAGLBSA-N	0	0	189.302	3.330	10	0		AGAERN
CCc1cnc2c(c1)C[C@H](C)[C@H](C)C2	49806518	572808966	/nfs/dbraw/zinc/80/89/66/572808966.db2.gz	AWFLKWBYMHXWFY-VHSXEESVSA-N	0	0	189.302	3.015	10	0		AGAERN
CCc1cnc2c(c1)C[C@@H](C)C[C@@H]2C	49806512	572809001	/nfs/dbraw/zinc/80/90/01/572809001.db2.gz	DSQWAKLKDYQCTB-UWVGGRQHSA-N	0	0	189.302	3.330	10	0		AGAERN
CC(C)c1cnc2c(c1)CC[C@H](C)C2	49806532	572809141	/nfs/dbraw/zinc/80/91/41/572809141.db2.gz	AZAYQSONANVQIG-JTQLQIEISA-N	0	0	189.302	3.330	10	0		AGAERN
CCc1cnc2c(c1)CC[C@H](C)[C@@H]2C	49806510	572809297	/nfs/dbraw/zinc/80/92/97/572809297.db2.gz	GFXIHPWIZUROKH-UWVGGRQHSA-N	0	0	189.302	3.330	10	0		AGAERN
CC(C)c1cnc2c(c1)C[C@H](C)CC2	49806533	572809174	/nfs/dbraw/zinc/80/91/74/572809174.db2.gz	FRYAHHCAXNSCEI-SNVBAGLBSA-N	0	0	189.302	3.330	10	0		AGAERN
Cc1cnc2c(c1)C[C@@H](C)C[C@H]2C	49805267	572809186	/nfs/dbraw/zinc/80/91/86/572809186.db2.gz	BGWDSRJYGXKQNN-WCBMZHEXSA-N	0	0	175.275	3.076	10	0		AGAERN
CCc1cnc2c(c1)[C@@H](C)C[C@H](C)C2	49806520	572809270	/nfs/dbraw/zinc/80/92/70/572809270.db2.gz	YXMMGLJMAAYFNF-UWVGGRQHSA-N	0	0	189.302	3.330	10	0		AGAERN
Cc1cc(C)c([C@@H]2CCCO2)c(C)c1	49806622	572809427	/nfs/dbraw/zinc/80/94/27/572809427.db2.gz	CPEGRLDUZQVPDQ-LBPRGKRZSA-N	0	0	190.286	3.463	10	0		AGAERN
Cc1cnc2c(c1)C[C@H](C(C)C)CC2	49806506	572809429	/nfs/dbraw/zinc/80/94/29/572809429.db2.gz	IHKRWQUORFUEES-LLVKDONJSA-N	0	0	189.302	3.151	10	0		AGAERN
Cc1cnc2c(c1)[C@@H](C)C[C@H](C)C2	49805276	572809467	/nfs/dbraw/zinc/80/94/67/572809467.db2.gz	DMWOIZBLTMSREA-WPRPVWTQSA-N	0	0	175.275	3.076	10	0		AGAERN
CCc1ccc2ncc(CC)cc2c1	49806011	572809539	/nfs/dbraw/zinc/80/95/39/572809539.db2.gz	RUWIXCOKHQPYBA-UHFFFAOYSA-N	0	0	185.270	3.360	10	0		AGAERN
Cc1ccc([C@H]2CCCO2)cc1C	49805353	572809589	/nfs/dbraw/zinc/80/95/89/572809589.db2.gz	LKAKNDZOCYFQMU-GFCCVEGCSA-N	0	0	176.259	3.155	10	0		AGAERN
C=C/C=C/CCCC[C@H](O)CC	713760399	572809659	/nfs/dbraw/zinc/80/96/59/572809659.db2.gz	UTURYJLGGUUHTO-MVIFTORASA-N	0	0	168.280	3.060	10	0		AGAERN
CCc1cnc2c(c1)C[C@H](C)C[C@H]2C	49806513	572809643	/nfs/dbraw/zinc/80/96/43/572809643.db2.gz	DSQWAKLKDYQCTB-NXEZZACHSA-N	0	0	189.302	3.330	10	0		AGAERN
CCSc1ccc([C@@H](O)CC)cc1	71453253	572809696	/nfs/dbraw/zinc/80/96/96/572809696.db2.gz	KAEADTKYQJQRBZ-NSHDSACASA-N	0	0	196.315	3.242	10	0		AGAERN
CCc1cnc2c(c1)[C@H](C)C[C@H](C)C2	49806522	572809698	/nfs/dbraw/zinc/80/96/98/572809698.db2.gz	YXMMGLJMAAYFNF-VHSXEESVSA-N	0	0	189.302	3.330	10	0		AGAERN
CCc1cnc2c(C)c(C)ccc2c1	49806006	572809732	/nfs/dbraw/zinc/80/97/32/572809732.db2.gz	BYYOVNRGFKNVNF-UHFFFAOYSA-N	0	0	185.270	3.414	10	0		AGAERN
CCc1cnc2c(c1)[C@@H](C)C[C@@H](C)C2	49806519	572809741	/nfs/dbraw/zinc/80/97/41/572809741.db2.gz	YXMMGLJMAAYFNF-ZJUUUORDSA-N	0	0	189.302	3.330	10	0		AGAERN
CCc1cnc2c(c1)C[C@@H](CC)CC2	49806527	572809794	/nfs/dbraw/zinc/80/97/94/572809794.db2.gz	YRGOVXRJSJFLHR-JTQLQIEISA-N	0	0	189.302	3.159	10	0		AGAERN
Cc1ccc([C@@H]2CCCO2)cc1C	49805352	572811178	/nfs/dbraw/zinc/81/11/78/572811178.db2.gz	LKAKNDZOCYFQMU-LBPRGKRZSA-N	0	0	176.259	3.155	10	0		AGAERN
CCc1cnc2c(C)cc(C)cc2c1	49806007	572809820	/nfs/dbraw/zinc/80/98/20/572809820.db2.gz	MHZFEDHVCVNVIJ-UHFFFAOYSA-N	0	0	185.270	3.414	10	0		AGAERN
CC(C)C[C@H](C)[C@H](O)[C@H](C)C(C)C	308137266	572809821	/nfs/dbraw/zinc/80/98/21/572809821.db2.gz	IYSJGEUKMULFDI-TUAOUCFPSA-N	0	0	186.339	3.322	10	0		AGAERN
CCc1cnc2c(c1)C[C@H](CC)CC2	49806528	572809850	/nfs/dbraw/zinc/80/98/50/572809850.db2.gz	YRGOVXRJSJFLHR-SNVBAGLBSA-N	0	0	189.302	3.159	10	0		AGAERN
C=C/C=C/CCCC[C@@H](O)C(C)C	713759841	572809866	/nfs/dbraw/zinc/80/98/66/572809866.db2.gz	UDVAKYDNTILGCV-BTDICHCPSA-N	0	0	182.307	3.306	10	0		AGAERN
CCc1ccc2ncc(C)cc2c1	49805040	572809893	/nfs/dbraw/zinc/80/98/93/572809893.db2.gz	LIAWUNPEVGXFEE-UHFFFAOYSA-N	0	0	171.243	3.106	10	0		AGAERN
CC(C)[C@@H](C)[C@H](O)CC1=CCCC1	400376834	572809907	/nfs/dbraw/zinc/80/99/07/572809907.db2.gz	FMLBSDNIUSAIGJ-ZYHUDNBSSA-N	0	0	182.307	3.140	10	0		AGAERN
CCc1cnc2c(c1)CCC[C@@H]2C	49805286	572811190	/nfs/dbraw/zinc/81/11/90/572811190.db2.gz	YJCMFPLLPMWJNU-VIFPVBQESA-N	0	0	175.275	3.084	10	0		AGAERN
Cc1cnc2c(c1)[C@@H](C)CC[C@H]2C	49805279	572809976	/nfs/dbraw/zinc/80/99/76/572809976.db2.gz	QNCNWBGNVNZNJL-VHSXEESVSA-N	0	0	175.275	3.391	10	0		AGAERN
Cc1cnc2c(c1)[C@@H](C)C[C@@H](C)C2	49805275	572809998	/nfs/dbraw/zinc/80/99/98/572809998.db2.gz	DMWOIZBLTMSREA-SCZZXKLOSA-N	0	0	175.275	3.076	10	0		AGAERN
CCc1cnc2cc(C)c(C)cc2c1	49806008	572810023	/nfs/dbraw/zinc/81/00/23/572810023.db2.gz	REPBAXOTJGLAHF-UHFFFAOYSA-N	0	0	185.270	3.414	10	0		AGAERN
Cc1cnc2c(c1)C[C@@H](C(C)C)CC2	49806505	572811195	/nfs/dbraw/zinc/81/11/95/572811195.db2.gz	IHKRWQUORFUEES-NSHDSACASA-N	0	0	189.302	3.151	10	0		AGAERN
CC(C)(C)c1ccc(C2CC2)c(N)c1	196699654	572810122	/nfs/dbraw/zinc/81/01/22/572810122.db2.gz	JJAASEOCECUNLY-UHFFFAOYSA-N	0	0	189.302	3.444	10	0		AGAERN
CC(C)c1cnc2c(c1)C[C@@H](C)CC2	49806534	572810144	/nfs/dbraw/zinc/81/01/44/572810144.db2.gz	FRYAHHCAXNSCEI-JTQLQIEISA-N	0	0	189.302	3.330	10	0		AGAERN
c1cc2c(cc1[C@H]1CCCO1)CCC2	49806289	572810165	/nfs/dbraw/zinc/81/01/65/572810165.db2.gz	FFIWBEYVVHIBFN-CYBMUJFWSA-N	0	0	188.270	3.027	10	0		AGAERN
CCc1ccc([C@@H]2CCCO2)cc1	49805350	572810213	/nfs/dbraw/zinc/81/02/13/572810213.db2.gz	UYUOMNYIITUULR-LBPRGKRZSA-N	0	0	176.259	3.101	10	0		AGAERN
Cc1cnc2c(C)cc(C)cc2c1	49805037	572810220	/nfs/dbraw/zinc/81/02/20/572810220.db2.gz	QLKCPMJTBMUIGW-UHFFFAOYSA-N	0	0	171.243	3.160	10	0		AGAERN
CCc1cnc2c(c1)CC[C@@H](C)[C@@H]2C	49806508	572810223	/nfs/dbraw/zinc/81/02/23/572810223.db2.gz	GFXIHPWIZUROKH-ZJUUUORDSA-N	0	0	189.302	3.330	10	0		AGAERN
Cc1cnc2c(c1)C[C@H](C)C[C@@H]2C	49805270	572810235	/nfs/dbraw/zinc/81/02/35/572810235.db2.gz	BGWDSRJYGXKQNN-SCZZXKLOSA-N	0	0	175.275	3.076	10	0		AGAERN
Cc1cnc2c(c1)[C@H](C)CC[C@H]2C	49805281	572810246	/nfs/dbraw/zinc/81/02/46/572810246.db2.gz	QNCNWBGNVNZNJL-NXEZZACHSA-N	0	0	175.275	3.391	10	0		AGAERN
Cc1cnc2c(c1)CC[C@@H](C)[C@@H]2C	49805264	572810302	/nfs/dbraw/zinc/81/03/02/572810302.db2.gz	UKHASBCBECIBBQ-ZJUUUORDSA-N	0	0	175.275	3.076	10	0		AGAERN
CCc1cnc2c(c1)C[C@@H](C)C[C@H]2C	49806511	572810357	/nfs/dbraw/zinc/81/03/57/572810357.db2.gz	DSQWAKLKDYQCTB-VHSXEESVSA-N	0	0	189.302	3.330	10	0		AGAERN
CCCC1([C@H](O)c2cccs2)CC1	308138860	572811250	/nfs/dbraw/zinc/81/12/50/572811250.db2.gz	JVLUMAXGBMSGIU-SNVBAGLBSA-N	0	0	196.315	3.362	10	0		AGAERN
Cc1ccc([C@H]2CCCO2)c(C)c1	49805357	572810407	/nfs/dbraw/zinc/81/04/07/572810407.db2.gz	TWMAXYUCJQQJKY-GFCCVEGCSA-N	0	0	176.259	3.155	10	0		AGAERN
Cc1cnc2c(c1)[C@@H](C)CC[C@@H]2C	49805280	572810526	/nfs/dbraw/zinc/81/05/26/572810526.db2.gz	QNCNWBGNVNZNJL-UWVGGRQHSA-N	0	0	175.275	3.391	10	0		AGAERN
CCc1cnc2c(c1)C[C@H](C)[C@@H](C)C2	49806517	572810559	/nfs/dbraw/zinc/81/05/59/572810559.db2.gz	AWFLKWBYMHXWFY-UWVGGRQHSA-N	0	0	189.302	3.015	10	0		AGAERN
Cc1ccc(C)c([C@@H]2CCCO2)c1	49805354	572811216	/nfs/dbraw/zinc/81/12/16/572811216.db2.gz	GKLYCSXFYWAZFR-LBPRGKRZSA-N	0	0	176.259	3.155	10	0		AGAERN
CCc1cnc2c(c1)CC[C@H](C)[C@H]2C	49806509	572810674	/nfs/dbraw/zinc/81/06/74/572810674.db2.gz	GFXIHPWIZUROKH-VHSXEESVSA-N	0	0	189.302	3.330	10	0		AGAERN
CC(C)[C@@H](C)[C@@H](O)CC1=CCCC1	400376831	572810716	/nfs/dbraw/zinc/81/07/16/572810716.db2.gz	FMLBSDNIUSAIGJ-PWSUYJOCSA-N	0	0	182.307	3.140	10	0		AGAERN
CC(C)c1cnc2c(c1)CCCC2	49805291	572810875	/nfs/dbraw/zinc/81/08/75/572810875.db2.gz	JESIMVIJKZNMDZ-UHFFFAOYSA-N	0	0	175.275	3.084	10	0		AGAERN
CCc1cnc2c(c1)C[C@@H](C)[C@H](C)C2	49806516	572810888	/nfs/dbraw/zinc/81/08/88/572810888.db2.gz	AWFLKWBYMHXWFY-NXEZZACHSA-N	0	0	189.302	3.015	10	0		AGAERN
CCc1cnc2c(c1)CCC[C@H]2C	49805285	572810897	/nfs/dbraw/zinc/81/08/97/572810897.db2.gz	YJCMFPLLPMWJNU-SECBINFHSA-N	0	0	175.275	3.084	10	0		AGAERN
CCc1cnc2c(c1)[C@H](C)C[C@@H](C)C2	49806521	572810938	/nfs/dbraw/zinc/81/09/38/572810938.db2.gz	YXMMGLJMAAYFNF-NXEZZACHSA-N	0	0	189.302	3.330	10	0		AGAERN
Cc1cnc2c(c1)CC[C@H](C)[C@@H]2C	49805266	572810944	/nfs/dbraw/zinc/81/09/44/572810944.db2.gz	UKHASBCBECIBBQ-UWVGGRQHSA-N	0	0	175.275	3.076	10	0		AGAERN
CCc1cnc2cc(C)ccc2c1	49805041	572810953	/nfs/dbraw/zinc/81/09/53/572810953.db2.gz	QRBPCEYXDPMLFN-UHFFFAOYSA-N	0	0	171.243	3.106	10	0		AGAERN
Cc1cnc2c(c1)[C@H](C)C[C@@H](C)C2	49805277	572811027	/nfs/dbraw/zinc/81/10/27/572811027.db2.gz	DMWOIZBLTMSREA-PSASIEDQSA-N	0	0	175.275	3.076	10	0		AGAERN
Cc1ccc(-c2cscc2N)cc1	49806485	572811033	/nfs/dbraw/zinc/81/10/33/572811033.db2.gz	IVGIDYDSJWYMIZ-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
Cc1ccc([C@@H]2CCCO2)c(C)c1	49805356	572811038	/nfs/dbraw/zinc/81/10/38/572811038.db2.gz	TWMAXYUCJQQJKY-LBPRGKRZSA-N	0	0	176.259	3.155	10	0		AGAERN
Cc1cnc2c(c1)[C@H](C)C[C@H](C)C2	49805278	572811052	/nfs/dbraw/zinc/81/10/52/572811052.db2.gz	DMWOIZBLTMSREA-WCBMZHEXSA-N	0	0	175.275	3.076	10	0		AGAERN
Cc1cnc2c(c1)C[C@H](C)C[C@H]2C	49805269	572811104	/nfs/dbraw/zinc/81/11/04/572811104.db2.gz	BGWDSRJYGXKQNN-PSASIEDQSA-N	0	0	175.275	3.076	10	0		AGAERN
Cc1cnc2c(c1)[C@H](C)CC[C@@H]2C	49805282	572811138	/nfs/dbraw/zinc/81/11/38/572811138.db2.gz	QNCNWBGNVNZNJL-ZJUUUORDSA-N	0	0	175.275	3.391	10	0		AGAERN
Cc1cnc2c(c1)CC[C@H](C)[C@H]2C	49805265	572811156	/nfs/dbraw/zinc/81/11/56/572811156.db2.gz	UKHASBCBECIBBQ-VHSXEESVSA-N	0	0	175.275	3.076	10	0		AGAERN
CCc1cnc2c(c1)C[C@H](C)C[C@@H]2C	49806514	572811423	/nfs/dbraw/zinc/81/14/23/572811423.db2.gz	DSQWAKLKDYQCTB-ZJUUUORDSA-N	0	0	189.302	3.330	10	0		AGAERN
Cc1cnc2c(C)c(C)ccc2c1	49805036	572811490	/nfs/dbraw/zinc/81/14/90/572811490.db2.gz	RZOICEIMRIROOJ-UHFFFAOYSA-N	0	0	171.243	3.160	10	0		AGAERN
Cc1cnc2c(c1)C[C@@H](C)C[C@@H]2C	49805268	572811499	/nfs/dbraw/zinc/81/14/99/572811499.db2.gz	BGWDSRJYGXKQNN-WPRPVWTQSA-N	0	0	175.275	3.076	10	0		AGAERN
Cc1cccc(-c2cscc2N)c1	49806484	572811715	/nfs/dbraw/zinc/81/17/15/572811715.db2.gz	SLGYGLYXWHPYPW-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
CC[C@@H]1[C@H](C)c2c(F)cccc2[C@@H]1O	714334361	572812057	/nfs/dbraw/zinc/81/20/57/572812057.db2.gz	YVVHUONQFVTZSV-JOAULVNJSA-N	0	0	194.249	3.002	10	0		AGAERN
Cc1ccc2[nH]c(Cl)c(N)c2c1C	75122072	572812093	/nfs/dbraw/zinc/81/20/93/572812093.db2.gz	CXFLYWQLPGUBFZ-UHFFFAOYSA-N	0	0	194.665	3.020	10	0		AGAERN
Cc1ccc2c(N)c(Cl)[nH]c2c1C	75122074	572812171	/nfs/dbraw/zinc/81/21/71/572812171.db2.gz	YVFGNDXADFHXKK-UHFFFAOYSA-N	0	0	194.665	3.020	10	0		AGAERN
C=C/C=C\CCCC[C@@H](O)C(C)C	713759846	572812443	/nfs/dbraw/zinc/81/24/43/572812443.db2.gz	UDVAKYDNTILGCV-FOQNGQEVSA-N	0	0	182.307	3.306	10	0		AGAERN
CC[C@@H]1[C@H](C)c2c(F)cccc2[C@H]1O	714334363	572812669	/nfs/dbraw/zinc/81/26/69/572812669.db2.gz	YVVHUONQFVTZSV-SXMVTHIZSA-N	0	0	194.249	3.002	10	0		AGAERN
CCC/C=C/C=C\[C@@H](O)CCC	307945414	572812791	/nfs/dbraw/zinc/81/27/91/572812791.db2.gz	ZBOLKMMHTKNNHF-SMGQCRDYSA-N	0	0	168.280	3.060	10	0		AGAERN
C=C/C=C/CCCC[C@H](O)C(C)C	713759849	572812873	/nfs/dbraw/zinc/81/28/73/572812873.db2.gz	UDVAKYDNTILGCV-FYJFLYSWSA-N	0	0	182.307	3.306	10	0		AGAERN
Cc1ccc(C(=O)C2CC2)cc1Cl	49811405	572813363	/nfs/dbraw/zinc/81/33/63/572813363.db2.gz	IRKZGPUCTRJALO-UHFFFAOYSA-N	0	0	194.661	3.241	10	0		AGAERN
Cc1cc2c(nc1Cl)[C@H](C)CCC2	49811573	572813384	/nfs/dbraw/zinc/81/33/84/572813384.db2.gz	BIBUIJMJMZLUOO-SSDOTTSWSA-N	0	0	195.693	3.483	10	0		AGAERN
Cc1cc2c(nc1Cl)C[C@@H](C)CC2	49811576	572813505	/nfs/dbraw/zinc/81/35/05/572813505.db2.gz	CNZQCHBYXZLVOP-ZETCQYMHSA-N	0	0	195.693	3.168	10	0		AGAERN
Cc1cc2c(nc1Cl)[C@@H](C)CCC2	49811574	572813681	/nfs/dbraw/zinc/81/36/81/572813681.db2.gz	BIBUIJMJMZLUOO-ZETCQYMHSA-N	0	0	195.693	3.483	10	0		AGAERN
Cc1ccc(C)c(CCC(C)(C)O)c1	49806911	572813817	/nfs/dbraw/zinc/81/38/17/572813817.db2.gz	FEIUBXQMBOSKBV-UHFFFAOYSA-N	0	0	192.302	3.007	10	0		AGAERN
CC[C@H]1[C@H](O)c2cccc(F)c2[C@@H]1C	714334362	572813988	/nfs/dbraw/zinc/81/39/88/572813988.db2.gz	YVVHUONQFVTZSV-RWYTXXIDSA-N	0	0	194.249	3.002	10	0		AGAERN
Cc1cc2c(nc1Cl)CC[C@@H](C)C2	49811578	572814077	/nfs/dbraw/zinc/81/40/77/572814077.db2.gz	ODYPAPWRKSMMFA-SSDOTTSWSA-N	0	0	195.693	3.168	10	0		AGAERN
CCc1cc2c(nc1Cl)CCCC2	49811579	572814208	/nfs/dbraw/zinc/81/42/08/572814208.db2.gz	LENJJNCBHHOGEB-UHFFFAOYSA-N	0	0	195.693	3.176	10	0		AGAERN
O=C(CCCCF)C1CCCCC1	308134229	572817004	/nfs/dbraw/zinc/81/70/04/572817004.db2.gz	HDZVVUYJIOEPFQ-UHFFFAOYSA-N	0	0	186.270	3.276	10	0		AGAERN
CCC1([C@@H](O)CCCC(C)C)CC1	308134922	572814342	/nfs/dbraw/zinc/81/43/42/572814342.db2.gz	HOIZIGYJXREHLB-NSHDSACASA-N	0	0	184.323	3.364	10	0		AGAERN
CCCCC(=O)C1(CCC)CC1	308134611	572814593	/nfs/dbraw/zinc/81/45/93/572814593.db2.gz	ZHHMTMINPCMSBY-UHFFFAOYSA-N	0	0	168.280	3.326	10	0		AGAERN
CCC[C@@H](CO)Cc1csc(C)c1	308133905	572814925	/nfs/dbraw/zinc/81/49/25/572814925.db2.gz	GWXHNMPSHCFDEY-SNVBAGLBSA-N	0	0	198.331	3.008	10	0		AGAERN
C/C=C\CSC[C@H](C)C(F)(F)F	307945955	572814985	/nfs/dbraw/zinc/81/49/85/572814985.db2.gz	JBGDMQVHOHYICQ-AVALRIAPSA-N	0	0	198.253	3.494	10	0		AGAERN
Cc1cc2c(nc1Cl)C[C@H](C)CC2	49811575	572815136	/nfs/dbraw/zinc/81/51/36/572815136.db2.gz	CNZQCHBYXZLVOP-SSDOTTSWSA-N	0	0	195.693	3.168	10	0		AGAERN
CCC[C@H](CO)Cc1csc(C)c1	308133904	572815625	/nfs/dbraw/zinc/81/56/25/572815625.db2.gz	GWXHNMPSHCFDEY-JTQLQIEISA-N	0	0	198.331	3.008	10	0		AGAERN
C/C=C/CSC[C@@H](C)C(F)(F)F	307945958	572815669	/nfs/dbraw/zinc/81/56/69/572815669.db2.gz	JBGDMQVHOHYICQ-KGGZQZJCSA-N	0	0	198.253	3.494	10	0		AGAERN
CCC1([C@H](O)CCCC(C)C)CC1	308134921	572816291	/nfs/dbraw/zinc/81/62/91/572816291.db2.gz	HOIZIGYJXREHLB-LLVKDONJSA-N	0	0	184.323	3.364	10	0		AGAERN
C/C=C/CSC[C@H](C)C(F)(F)F	307945960	572817315	/nfs/dbraw/zinc/81/73/15/572817315.db2.gz	JBGDMQVHOHYICQ-SDLBARTOSA-N	0	0	198.253	3.494	10	0		AGAERN
C/C=C\CSC[C@@H](C)C(F)(F)F	307945957	572817329	/nfs/dbraw/zinc/81/73/29/572817329.db2.gz	JBGDMQVHOHYICQ-KFOINNEUSA-N	0	0	198.253	3.494	10	0		AGAERN
Cc1cccc(/C=C\CC(C)C)n1	308135855	572817908	/nfs/dbraw/zinc/81/79/08/572817908.db2.gz	FGSRWJQIIXNLCD-YWEYNIOJSA-N	0	0	175.275	3.449	10	0		AGAERN
CCC(CC)C(=O)CCCCF	308135941	572817958	/nfs/dbraw/zinc/81/79/58/572817958.db2.gz	ZSDFCPPRHKIJGX-UHFFFAOYSA-N	0	0	174.259	3.132	10	0		AGAERN
C[C@@H]1CCCC[C@]1(O)CCC1CC1	235265307	572818102	/nfs/dbraw/zinc/81/81/02/572818102.db2.gz	KBQVPYRBGOJTDY-PWSUYJOCSA-N	0	0	182.307	3.118	10	0		AGAERN
O[C@H](CC/C=C\Cl)C1CCCC1	307947006	572818766	/nfs/dbraw/zinc/81/87/66/572818766.db2.gz	KLSFOPCXOAKZTG-NAXAJZLFSA-N	0	0	188.698	3.070	10	0		AGAERN
Nc1ccccc1CC1CCCCC1	118167192	572819473	/nfs/dbraw/zinc/81/94/73/572819473.db2.gz	XRSSGYLINVHOHB-UHFFFAOYSA-N	0	0	189.302	3.392	10	0		AGAERN
CC[C@H](C)[C@@H](C)Nn1c(C)ccc1C	85829588	572819845	/nfs/dbraw/zinc/81/98/45/572819845.db2.gz	JPKNLMJGVYJJAV-JOYOIKCWSA-N	0	0	194.322	3.083	10	0		AGAERN
CCCCCCn1cccc1C(C)=O	85832619	572820252	/nfs/dbraw/zinc/82/02/52/572820252.db2.gz	QRNCJICFQOCHLD-UHFFFAOYSA-N	0	0	193.290	3.271	10	0		AGAERN
Cc1ccc(C)n1N[C@H](C)CC(C)C	85829668	572820278	/nfs/dbraw/zinc/82/02/78/572820278.db2.gz	ASGZRFQGVOPDIF-SNVBAGLBSA-N	0	0	194.322	3.083	10	0		AGAERN
C[C@@H]1CCCC[C@@]1(O)CCC1CC1	235265491	572820293	/nfs/dbraw/zinc/82/02/93/572820293.db2.gz	KBQVPYRBGOJTDY-ZYHUDNBSSA-N	0	0	182.307	3.118	10	0		AGAERN
CCCC[C@@H](CC)CNn1cccc1	85830795	572822408	/nfs/dbraw/zinc/82/24/08/572822408.db2.gz	NGJRNMAKYLFTRV-GFCCVEGCSA-N	0	0	194.322	3.248	10	0		AGAERN
CC[C@]12C=C[C@](C)(CCC1=O)CC2	196954136	572820557	/nfs/dbraw/zinc/82/05/57/572820557.db2.gz	OKHPINAEBFOQCF-NWDGAFQWSA-N	0	0	178.275	3.102	10	0		AGAERN
CCCC[C@H](CC)CNn1cccc1	85830796	572820631	/nfs/dbraw/zinc/82/06/31/572820631.db2.gz	NGJRNMAKYLFTRV-LBPRGKRZSA-N	0	0	194.322	3.248	10	0		AGAERN
CC(C)(C)c1cccc(CO)c1Cl	196951708	572820632	/nfs/dbraw/zinc/82/06/32/572820632.db2.gz	MSZUBNQFCAILPV-UHFFFAOYSA-N	0	0	198.693	3.130	10	0		AGAERN
CC[C@@]12C=C[C@@](C)(CCC1=O)CC2	196954166	572820672	/nfs/dbraw/zinc/82/06/72/572820672.db2.gz	OKHPINAEBFOQCF-NEPJUHHUSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)(C)c1cc(C=O)ccc1Cl	118175587	572820719	/nfs/dbraw/zinc/82/07/19/572820719.db2.gz	DHDAKJLFQYYGCB-UHFFFAOYSA-N	0	0	196.677	3.450	10	0		AGAERN
CCC[C@@H](C)Cn1cccc1C(C)=O	85832685	572820982	/nfs/dbraw/zinc/82/09/82/572820982.db2.gz	BTGCZZUPNLJVFW-SNVBAGLBSA-N	0	0	193.290	3.127	10	0		AGAERN
CC[C@@H](C)[C@@H](C)Nn1c(C)ccc1C	85829587	572821050	/nfs/dbraw/zinc/82/10/50/572821050.db2.gz	JPKNLMJGVYJJAV-BXKDBHETSA-N	0	0	194.322	3.083	10	0		AGAERN
Cc1ccc(SCC(C)C)c(O)c1	71454454	572821074	/nfs/dbraw/zinc/82/10/74/572821074.db2.gz	VGGZSRORNYSTSL-UHFFFAOYSA-N	0	0	196.315	3.449	10	0		AGAERN
CCC[C@@H](C)CNn1c(C)ccc1C	85829673	572821152	/nfs/dbraw/zinc/82/11/52/572821152.db2.gz	GMBCCKATESNAFA-SNVBAGLBSA-N	0	0	194.322	3.085	10	0		AGAERN
CC(=O)c1cccn1CCC(C)(C)C	85832471	572821215	/nfs/dbraw/zinc/82/12/15/572821215.db2.gz	IMVGJQVLKLDXDE-UHFFFAOYSA-N	0	0	193.290	3.127	10	0		AGAERN
CC[C@H](O)c1cc(C)ccc1SC	71454316	572821253	/nfs/dbraw/zinc/82/12/53/572821253.db2.gz	XUXFZJMWFFIKIW-JTQLQIEISA-N	0	0	196.315	3.160	10	0		AGAERN
CC[C@H](C)[C@H](C)Nn1c(C)ccc1C	85829594	572821310	/nfs/dbraw/zinc/82/13/10/572821310.db2.gz	JPKNLMJGVYJJAV-CABZTGNLSA-N	0	0	194.322	3.083	10	0		AGAERN
CCCCCCn1cccc1[C@H](C)O	85833209	572821342	/nfs/dbraw/zinc/82/13/42/572821342.db2.gz	VCSAWHSHKTZRLE-NSHDSACASA-N	0	0	195.306	3.122	10	0		AGAERN
CC1(CCC(=O)C2CC2)CCCC1	308140754	572821429	/nfs/dbraw/zinc/82/14/29/572821429.db2.gz	SUJISVYYELVTSX-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
CCCC[C@@H](C)Nn1c(C)ccc1C	85829738	572821445	/nfs/dbraw/zinc/82/14/45/572821445.db2.gz	BOOLQFINWKGAGY-SNVBAGLBSA-N	0	0	194.322	3.227	10	0		AGAERN
C/C=C/C[C@@H]1C[C@H](CC)CC[C@@H]1O	49852460	572821519	/nfs/dbraw/zinc/82/15/19/572821519.db2.gz	BFLWPBFDGZWPGM-XCVQXLJSSA-N	0	0	182.307	3.140	10	0		AGAERN
C/C=C/C[C@@H]1C[C@@H](CC)CC[C@H]1O	49852463	572821674	/nfs/dbraw/zinc/82/16/74/572821674.db2.gz	BFLWPBFDGZWPGM-YJPKOGHISA-N	0	0	182.307	3.140	10	0		AGAERN
CCCCCCNn1c(C)ccc1C	85829825	572821678	/nfs/dbraw/zinc/82/16/78/572821678.db2.gz	AQVQNSDIAULLQM-UHFFFAOYSA-N	0	0	194.322	3.229	10	0		AGAERN
CCC(=O)c1ccn(C[C@H](C)CC)c1	85838381	572825282	/nfs/dbraw/zinc/82/52/82/572825282.db2.gz	WCILOGWTMBVRMO-SNVBAGLBSA-N	0	0	193.290	3.127	10	0		AGAERN
CCSc1ccc(C)cc1C(C)=O	71454339	572821851	/nfs/dbraw/zinc/82/18/51/572821851.db2.gz	ZEIRTHPXQZZXRX-UHFFFAOYSA-N	0	0	194.299	3.310	10	0		AGAERN
CCCC[C@H](C)Nn1c(C)ccc1C	85829739	572821896	/nfs/dbraw/zinc/82/18/96/572821896.db2.gz	BOOLQFINWKGAGY-JTQLQIEISA-N	0	0	194.322	3.227	10	0		AGAERN
CCC[C@H](C)Cn1ccc(C(C)=O)c1	85832997	572822403	/nfs/dbraw/zinc/82/24/03/572822403.db2.gz	ZOLIJQCLSMRPFP-JTQLQIEISA-N	0	0	193.290	3.127	10	0		AGAERN
CCNc1c(C)ccc(C)c1OCC	71457341	572827109	/nfs/dbraw/zinc/82/71/09/572827109.db2.gz	GJEOZFUOBZAMDU-UHFFFAOYSA-N	0	0	193.290	3.134	10	0		AGAERN
CC[C@@H](C)[C@H](C)Nn1c(C)ccc1C	85829591	572822632	/nfs/dbraw/zinc/82/26/32/572822632.db2.gz	JPKNLMJGVYJJAV-SKDRFNHKSA-N	0	0	194.322	3.083	10	0		AGAERN
CCC[C@@H](C)Cn1ccc(C(C)=O)c1	85832995	572822671	/nfs/dbraw/zinc/82/26/71/572822671.db2.gz	ZOLIJQCLSMRPFP-SNVBAGLBSA-N	0	0	193.290	3.127	10	0		AGAERN
Cc1cnc(NC2CCCCCC2)o1	75121694	572822801	/nfs/dbraw/zinc/82/28/01/572822801.db2.gz	CZGJLDOVMTUUET-UHFFFAOYSA-N	0	0	194.278	3.118	10	0		AGAERN
CCC[C@H](C)Cn1cccc1C(C)=O	85832688	572822782	/nfs/dbraw/zinc/82/27/82/572822782.db2.gz	BTGCZZUPNLJVFW-JTQLQIEISA-N	0	0	193.290	3.127	10	0		AGAERN
CC1(C)CCC(Nc2cnco2)CC1	75121680	572822901	/nfs/dbraw/zinc/82/29/01/572822901.db2.gz	XQPFRMSEVOMROL-UHFFFAOYSA-N	0	0	194.278	3.055	10	0		AGAERN
Cc1ccc(C)n1N[C@@H](C)CC(C)C	85829666	572822959	/nfs/dbraw/zinc/82/29/59/572822959.db2.gz	ASGZRFQGVOPDIF-JTQLQIEISA-N	0	0	194.322	3.083	10	0		AGAERN
CCC(CC)CNn1c(C)ccc1C	85830090	572822978	/nfs/dbraw/zinc/82/29/78/572822978.db2.gz	ZWRJBINDEFRCRT-UHFFFAOYSA-N	0	0	194.322	3.085	10	0		AGAERN
CCSc1ccc(C)cc1[C@@H](C)O	71454364	572823110	/nfs/dbraw/zinc/82/31/10/572823110.db2.gz	VXINDKGIFLVAMW-SECBINFHSA-N	0	0	196.315	3.160	10	0		AGAERN
CC1(C)CCC(Nc2ncco2)CC1	75121702	572823118	/nfs/dbraw/zinc/82/31/18/572823118.db2.gz	LCPULQYMXMGIBU-UHFFFAOYSA-N	0	0	194.278	3.055	10	0		AGAERN
CCOc1cc(C)c(NC)c(C)c1C	71456416	572823146	/nfs/dbraw/zinc/82/31/46/572823146.db2.gz	METLPBMEQJRJJB-UHFFFAOYSA-N	0	0	193.290	3.052	10	0		AGAERN
CC(C)Sc1ccc([C@H](C)O)cc1	71454122	572823179	/nfs/dbraw/zinc/82/31/79/572823179.db2.gz	QKIPXMKQHNWHGS-VIFPVBQESA-N	0	0	196.315	3.240	10	0		AGAERN
C[C@@H]1C=Cc2ccc(Cl)cc2N1	71479779	572827120	/nfs/dbraw/zinc/82/71/20/572827120.db2.gz	IIMIXVVIWMSMOD-SSDOTTSWSA-N	0	0	179.650	3.167	10	0		AGAERN
CCC(=O)c1cc(C)ccc1SC	71454291	572823343	/nfs/dbraw/zinc/82/33/43/572823343.db2.gz	VSYNXUAWTPEEJJ-UHFFFAOYSA-N	0	0	194.299	3.310	10	0		AGAERN
CCCCCn1ccc([C@@H](O)CC)c1	85839085	572823411	/nfs/dbraw/zinc/82/34/11/572823411.db2.gz	VXFZWLCQSFDNBB-LBPRGKRZSA-N	0	0	195.306	3.122	10	0		AGAERN
Cc1cc(NC2CCCCCC2)no1	75121687	572823417	/nfs/dbraw/zinc/82/34/17/572823417.db2.gz	AWDUYEUUFHDXQU-UHFFFAOYSA-N	0	0	194.278	3.118	10	0		AGAERN
CCCCCC[C@@H](C)Nn1cccc1	85828409	572823459	/nfs/dbraw/zinc/82/34/59/572823459.db2.gz	XHFQHMFQVNSMDI-GFCCVEGCSA-N	0	0	194.322	3.391	10	0		AGAERN
CC[C@@H](O)CCCc1csc(C)c1	308140167	572823534	/nfs/dbraw/zinc/82/35/34/572823534.db2.gz	KOICBIRLMRAQAH-LLVKDONJSA-N	0	0	198.331	3.150	10	0		AGAERN
CC(C)Sc1ccc([C@@H](C)O)cc1	71454121	572823877	/nfs/dbraw/zinc/82/38/77/572823877.db2.gz	QKIPXMKQHNWHGS-SECBINFHSA-N	0	0	196.315	3.240	10	0		AGAERN
CCCCCC[C@H](C)Nn1cccc1	85828410	572823947	/nfs/dbraw/zinc/82/39/47/572823947.db2.gz	XHFQHMFQVNSMDI-LBPRGKRZSA-N	0	0	194.322	3.391	10	0		AGAERN
CCOc1cc(C)c(Cl)cc1NC	71454663	572823956	/nfs/dbraw/zinc/82/39/56/572823956.db2.gz	ZFAKVZYQILNRKE-UHFFFAOYSA-N	0	0	199.681	3.089	10	0		AGAERN
CCCCC[C@@H](C)Nn1cccc1	85828401	572823995	/nfs/dbraw/zinc/82/39/95/572823995.db2.gz	QPCMEPGLCCSTFE-LLVKDONJSA-N	0	0	180.295	3.000	10	0		AGAERN
Cc1ccc(C)c2c1C=C[C@@H](C)N2	71479806	572827139	/nfs/dbraw/zinc/82/71/39/572827139.db2.gz	ZSWWHCZTPCHIOJ-SNVBAGLBSA-N	0	0	173.259	3.131	10	0		AGAERN
Cc1cc(OC(C)C)c(N)cc1Cl	71454799	572824175	/nfs/dbraw/zinc/82/41/75/572824175.db2.gz	UFUVOVKQZLKPKC-UHFFFAOYSA-N	0	0	199.681	3.018	10	0		AGAERN
CCC(=O)c1ccn(C[C@@H](C)CC)c1	85838382	572824317	/nfs/dbraw/zinc/82/43/17/572824317.db2.gz	WCILOGWTMBVRMO-JTQLQIEISA-N	0	0	193.290	3.127	10	0		AGAERN
CCCCCCn1ccc([C@H](C)O)c1	85833897	572824402	/nfs/dbraw/zinc/82/44/02/572824402.db2.gz	YVXLPQNSACBLAF-NSHDSACASA-N	0	0	195.306	3.122	10	0		AGAERN
CC1(C)CCC(Nc2ccon2)CC1	75121704	572824682	/nfs/dbraw/zinc/82/46/82/572824682.db2.gz	VAOISIYOLVKKDT-UHFFFAOYSA-N	0	0	194.278	3.055	10	0		AGAERN
CCCCCn1ccc(C(=O)CC)c1	85838419	572824779	/nfs/dbraw/zinc/82/47/79/572824779.db2.gz	DOXNUZMQTWNYDT-UHFFFAOYSA-N	0	0	193.290	3.271	10	0		AGAERN
CC[C@H](O)[C@H](C)Cc1csc(C)c1	308141219	572824838	/nfs/dbraw/zinc/82/48/38/572824838.db2.gz	LHVMEXPGMYKGLS-KCJUWKMLSA-N	0	0	198.331	3.006	10	0		AGAERN
CCCCCn1ccc([C@H](O)CC)c1	85839082	572824861	/nfs/dbraw/zinc/82/48/61/572824861.db2.gz	VXFZWLCQSFDNBB-GFCCVEGCSA-N	0	0	195.306	3.122	10	0		AGAERN
CCc1ccc2c(c1)C=C(C)CN2	71479757	572824909	/nfs/dbraw/zinc/82/49/09/572824909.db2.gz	NGDSUTIRZXJHOL-UHFFFAOYSA-N	0	0	173.259	3.078	10	0		AGAERN
CC[C@H](C)C[C@H](CC)Nn1cccc1	85829231	572827726	/nfs/dbraw/zinc/82/77/26/572827726.db2.gz	UQAYSPDVAFMQCF-RYUDHWBXSA-N	0	0	194.322	3.246	10	0		AGAERN
CCc1cccc2c1N[C@H](C)C=C2	71479791	572825100	/nfs/dbraw/zinc/82/51/00/572825100.db2.gz	VNCMWKBVNBQYCV-SECBINFHSA-N	0	0	173.259	3.076	10	0		AGAERN
CCCCn1ccc([C@@H](O)CCC)c1	85841207	572827777	/nfs/dbraw/zinc/82/77/77/572827777.db2.gz	HCYGKXUQWQCQLX-LBPRGKRZSA-N	0	0	195.306	3.122	10	0		AGAERN
C[C@H]1C=Cc2ccc(Cl)cc2N1	71479780	572825256	/nfs/dbraw/zinc/82/52/56/572825256.db2.gz	IIMIXVVIWMSMOD-ZETCQYMHSA-N	0	0	179.650	3.167	10	0		AGAERN
CCCCC[C@H](C)Nn1cccc1	85828402	572825259	/nfs/dbraw/zinc/82/52/59/572825259.db2.gz	QPCMEPGLCCSTFE-NSHDSACASA-N	0	0	180.295	3.000	10	0		AGAERN
Cc1ccc2c(c1C)N[C@H](C)C=C2	71479801	572825354	/nfs/dbraw/zinc/82/53/54/572825354.db2.gz	NEJOASSCDAONGD-SECBINFHSA-N	0	0	173.259	3.131	10	0		AGAERN
Cc1cc(C)c2c(c1)C=C[C@@H](C)N2	71479804	572825372	/nfs/dbraw/zinc/82/53/72/572825372.db2.gz	SPKVRWZPTARTBF-SNVBAGLBSA-N	0	0	173.259	3.131	10	0		AGAERN
CC1=Cc2c(C)cc(C)cc2NC1	71479764	572825451	/nfs/dbraw/zinc/82/54/51/572825451.db2.gz	CYTYXJKXLRGEHB-UHFFFAOYSA-N	0	0	173.259	3.132	10	0		AGAERN
CCC(=O)c1ccn(CC=C(C)C)c1	85838579	572825459	/nfs/dbraw/zinc/82/54/59/572825459.db2.gz	NMTWHWPWCLOHJH-UHFFFAOYSA-N	0	0	191.274	3.047	10	0		AGAERN
CC[C@H](O)[C@@H](C)Cc1csc(C)c1	308141220	572825553	/nfs/dbraw/zinc/82/55/53/572825553.db2.gz	LHVMEXPGMYKGLS-KWQFWETISA-N	0	0	198.331	3.006	10	0		AGAERN
CCC(=O)c1ccn(CCC(C)C)c1	85838525	572825573	/nfs/dbraw/zinc/82/55/73/572825573.db2.gz	YIJKTJWFGUVGSV-UHFFFAOYSA-N	0	0	193.290	3.127	10	0		AGAERN
C[C@H]1C=Cc2cccc(Cl)c2N1	71479774	572825611	/nfs/dbraw/zinc/82/56/11/572825611.db2.gz	LCKCZTPTOJAOEV-ZETCQYMHSA-N	0	0	179.650	3.167	10	0		AGAERN
O[C@H](CC/C=C/Cl)C1CCCC1	236543136	572825655	/nfs/dbraw/zinc/82/56/55/572825655.db2.gz	KLSFOPCXOAKZTG-VMKBVTSJSA-N	0	0	188.698	3.070	10	0		AGAERN
C[C@H]1C=Cc2cc(Cl)ccc2N1	71479788	572825672	/nfs/dbraw/zinc/82/56/72/572825672.db2.gz	XKALUEGTRIPVLA-ZETCQYMHSA-N	0	0	179.650	3.167	10	0		AGAERN
CC1=Cc2ccc(C)c(C)c2NC1	71479761	572825718	/nfs/dbraw/zinc/82/57/18/572825718.db2.gz	WEYQHLJJTSHTBR-UHFFFAOYSA-N	0	0	173.259	3.132	10	0		AGAERN
C[C@@H]1Nc2ccc(Cl)cc2[C@H]1C	71484409	572827737	/nfs/dbraw/zinc/82/77/37/572827737.db2.gz	VJKRICFDADRTNJ-BQBZGAKWSA-N	0	0	181.666	3.258	10	0		AGAERN
CC1=Cc2cc(C)c(C)cc2NC1	71479765	572825930	/nfs/dbraw/zinc/82/59/30/572825930.db2.gz	PRSLRJXYSIZXDG-UHFFFAOYSA-N	0	0	173.259	3.132	10	0		AGAERN
CCc1ccc2c(c1)C=C[C@@H](C)N2	71479794	572826073	/nfs/dbraw/zinc/82/60/73/572826073.db2.gz	VWXDSEBENIPUNQ-SECBINFHSA-N	0	0	173.259	3.076	10	0		AGAERN
CC(C)c1cccc2c1NCC=C2	71479733	572826077	/nfs/dbraw/zinc/82/60/77/572826077.db2.gz	OKWQQXNWNBKKNO-UHFFFAOYSA-N	0	0	173.259	3.249	10	0		AGAERN
CC[C@@H](C)C[C@@H](CC)Nn1cccc1	85829225	572826241	/nfs/dbraw/zinc/82/62/41/572826241.db2.gz	UQAYSPDVAFMQCF-VXGBXAGGSA-N	0	0	194.322	3.246	10	0		AGAERN
CC1=Cc2cc(C)cc(C)c2NC1	71479762	572826261	/nfs/dbraw/zinc/82/62/61/572826261.db2.gz	URSKSEQYABATAN-UHFFFAOYSA-N	0	0	173.259	3.132	10	0		AGAERN
CC1=Cc2c(C)ccc(C)c2NC1	71479763	572826353	/nfs/dbraw/zinc/82/63/53/572826353.db2.gz	YVZHQQWMPQERJB-UHFFFAOYSA-N	0	0	173.259	3.132	10	0		AGAERN
CCc1cccc2c1N[C@@H](C)C=C2	71479792	572826356	/nfs/dbraw/zinc/82/63/56/572826356.db2.gz	VNCMWKBVNBQYCV-VIFPVBQESA-N	0	0	173.259	3.076	10	0		AGAERN
CC[C@@H](Nn1c(C)ccc1C)C(C)C	85829521	572826372	/nfs/dbraw/zinc/82/63/72/572826372.db2.gz	FFWIWYJRXNWHFU-GFCCVEGCSA-N	0	0	194.322	3.083	10	0		AGAERN
CC1=Cc2ccc(Cl)cc2NC1	71479750	572826392	/nfs/dbraw/zinc/82/63/92/572826392.db2.gz	LORQGKPSEDXZGR-UHFFFAOYSA-N	0	0	179.650	3.169	10	0		AGAERN
CC1=Cc2cc(Cl)ccc2NC1	71479754	572826594	/nfs/dbraw/zinc/82/65/94/572826594.db2.gz	PDPIZSIFORPJCS-UHFFFAOYSA-N	0	0	179.650	3.169	10	0		AGAERN
Cc1cc(C)c2c(c1)C=C[C@H](C)N2	71479803	572826681	/nfs/dbraw/zinc/82/66/81/572826681.db2.gz	SPKVRWZPTARTBF-JTQLQIEISA-N	0	0	173.259	3.131	10	0		AGAERN
CCCC(=O)c1ccn(CC(C)C)c1	85840999	572826864	/nfs/dbraw/zinc/82/68/64/572826864.db2.gz	LYUQVFICGZQUQI-UHFFFAOYSA-N	0	0	193.290	3.127	10	0		AGAERN
Cc1ccc2c(c1C)N[C@@H](C)C=C2	71479802	572826909	/nfs/dbraw/zinc/82/69/09/572826909.db2.gz	NEJOASSCDAONGD-VIFPVBQESA-N	0	0	173.259	3.131	10	0		AGAERN
CCc1cccc2c1NCC(C)=C2	71479756	572826923	/nfs/dbraw/zinc/82/69/23/572826923.db2.gz	BMBOMZAUKXFJMC-UHFFFAOYSA-N	0	0	173.259	3.078	10	0		AGAERN
Cc1cc(C)c2c(c1)N[C@@H](C)C=C2	71479808	572827009	/nfs/dbraw/zinc/82/70/09/572827009.db2.gz	WVLKYWRISXPNDK-JTQLQIEISA-N	0	0	173.259	3.131	10	0		AGAERN
Cc1cc(C)c2c(c1)N[C@H](C)C=C2	71479807	572827031	/nfs/dbraw/zinc/82/70/31/572827031.db2.gz	WVLKYWRISXPNDK-SNVBAGLBSA-N	0	0	173.259	3.131	10	0		AGAERN
CC[C@@H](O)[C@H](C)Cc1csc(C)c1	308141221	572827056	/nfs/dbraw/zinc/82/70/56/572827056.db2.gz	LHVMEXPGMYKGLS-LDYMZIIASA-N	0	0	198.331	3.006	10	0		AGAERN
Cc1cc2c(cc1C)N[C@@H](C)C=C2	71479810	572827183	/nfs/dbraw/zinc/82/71/83/572827183.db2.gz	KEUFPYCXKOQDBY-JTQLQIEISA-N	0	0	173.259	3.131	10	0		AGAERN
CC[C@@H](C[C@H](C)CC)Nn1cccc1	85829228	572827271	/nfs/dbraw/zinc/82/72/71/572827271.db2.gz	UQAYSPDVAFMQCF-NEPJUHHUSA-N	0	0	194.322	3.246	10	0		AGAERN
CC[C@H](C)C[C@@H](CC)Nn1cccc1	85829226	572827326	/nfs/dbraw/zinc/82/73/26/572827326.db2.gz	UQAYSPDVAFMQCF-NWDGAFQWSA-N	0	0	194.322	3.246	10	0		AGAERN
CCCC(CCC)Nn1cccc1	85829219	572827333	/nfs/dbraw/zinc/82/73/33/572827333.db2.gz	CXQKIFFMFLUHJX-UHFFFAOYSA-N	0	0	180.295	3.000	10	0		AGAERN
CCCC[C@@H](CC)Nn1cccc1	85828923	572827356	/nfs/dbraw/zinc/82/73/56/572827356.db2.gz	JAFAGBPDNGVYRO-LLVKDONJSA-N	0	0	180.295	3.000	10	0		AGAERN
CCCCn1ccc([C@H](O)CCC)c1	85841204	572827548	/nfs/dbraw/zinc/82/75/48/572827548.db2.gz	HCYGKXUQWQCQLX-GFCCVEGCSA-N	0	0	195.306	3.122	10	0		AGAERN
CC(C)[C@@H]1Cc2cccc(Cl)c2N1	71484696	572827672	/nfs/dbraw/zinc/82/76/72/572827672.db2.gz	BEZINKIWAPZCOX-JTQLQIEISA-N	0	0	195.693	3.333	10	0		AGAERN
C/C=C/Cn1ccc(C(=O)CCC)c1	85840965	572827690	/nfs/dbraw/zinc/82/76/90/572827690.db2.gz	TVGVINFAPZXLJU-HWKANZROSA-N	0	0	191.274	3.047	10	0		AGAERN
Cc1cc(C)c2c(c1)NC[C@@H]2C(C)C	71486468	572827693	/nfs/dbraw/zinc/82/76/93/572827693.db2.gz	OWUPKUBVJMKZEA-LLVKDONJSA-N	0	0	189.302	3.469	10	0		AGAERN
CCCCC(=O)c1cncc(Cl)c1	307951249	572828102	/nfs/dbraw/zinc/82/81/02/572828102.db2.gz	BGMGQODIWKMXRG-UHFFFAOYSA-N	0	0	197.665	3.108	10	0		AGAERN
Cc1cccc2c1N[C@@H]1CCCC[C@@H]21	71484323	572828129	/nfs/dbraw/zinc/82/81/29/572828129.db2.gz	NZDUVBJEVKOEOD-CMPLNLGQSA-N	0	0	187.286	3.447	10	0		AGAERN
Cc1cc(C)c2c(c1)C(=O)[C@H](C)CC2	71488981	572828198	/nfs/dbraw/zinc/82/81/98/572828198.db2.gz	FDIUTZDNTGGXGB-SECBINFHSA-N	0	0	188.270	3.068	10	0		AGAERN
CC(C)c1ccc2c(c1)C[C@H](C)N2	71484186	572828304	/nfs/dbraw/zinc/82/83/04/572828304.db2.gz	ZKPPXNBYRFCUHZ-VIFPVBQESA-N	0	0	175.275	3.167	10	0		AGAERN
CCc1ccc2c(c1)C(=O)[C@@H](C)CC2	71488958	572828338	/nfs/dbraw/zinc/82/83/38/572828338.db2.gz	MTHJPIOIAJQDGJ-VIFPVBQESA-N	0	0	188.270	3.014	10	0		AGAERN
c1csc(N[C@@H]2CCCSC2)c1	75125260	572828371	/nfs/dbraw/zinc/82/83/71/572828371.db2.gz	WIXJJVFVPRTFAF-MRVPVSSYSA-N	0	0	199.344	3.056	10	0		AGAERN
CC[C@H](Nn1c(C)ccc1C)C(C)C	85829520	572828433	/nfs/dbraw/zinc/82/84/33/572828433.db2.gz	FFWIWYJRXNWHFU-LBPRGKRZSA-N	0	0	194.322	3.083	10	0		AGAERN
Cc1nc2cccc3c(C)ccc([nH]1)c23	238568455	572828435	/nfs/dbraw/zinc/82/84/35/572828435.db2.gz	JDCVHMRKVGHQTM-UHFFFAOYSA-N	0	0	196.253	3.333	10	0		AGAERN
CCc1cccc2c1N[C@H](C(C)C)C2	71484686	572828446	/nfs/dbraw/zinc/82/84/46/572828446.db2.gz	NVSCTZGZABTQKW-LBPRGKRZSA-N	0	0	189.302	3.242	10	0		AGAERN
Cc1cc(C)c2c(c1)[C@H](C(C)C)CN2	71486465	572828542	/nfs/dbraw/zinc/82/85/42/572828542.db2.gz	VDMCBCGUGFBAQF-LBPRGKRZSA-N	0	0	189.302	3.469	10	0		AGAERN
CC[C@H]1CNc2cc(C)cc(C)c21	71486403	572828651	/nfs/dbraw/zinc/82/86/51/572828651.db2.gz	PQPHFUUFUYGYNV-JTQLQIEISA-N	0	0	175.275	3.223	10	0		AGAERN
C[C@H]1CCc2ccc(Cl)cc2C1=O	71488969	572828853	/nfs/dbraw/zinc/82/88/53/572828853.db2.gz	DJAPWOBPEFHUQB-ZETCQYMHSA-N	0	0	194.661	3.105	10	0		AGAERN
CCCCn1ccc(C(=O)C(C)C)c1	85842696	572828878	/nfs/dbraw/zinc/82/88/78/572828878.db2.gz	SKCPEHRLXUKZIZ-UHFFFAOYSA-N	0	0	193.290	3.127	10	0		AGAERN
CCCCn1ccc(C(=O)CCC)c1	85840997	572828911	/nfs/dbraw/zinc/82/89/11/572828911.db2.gz	UVRWIMBQHAWMCA-UHFFFAOYSA-N	0	0	193.290	3.271	10	0		AGAERN
CC(C)c1cccc2c1N[C@@H](C)C2	71484217	572829050	/nfs/dbraw/zinc/82/90/50/572829050.db2.gz	FEGFUWKKBIGZBZ-VIFPVBQESA-N	0	0	175.275	3.167	10	0		AGAERN
CCc1ccc2c(c1)[C@H](C(C)C)CN2	71486410	572829056	/nfs/dbraw/zinc/82/90/56/572829056.db2.gz	KZTRFDMEZXEOIL-LBPRGKRZSA-N	0	0	189.302	3.414	10	0		AGAERN
CC[C@@H]1CCC[C@@H](C[C@@H](O)C2CC2)C1	222503596	572829357	/nfs/dbraw/zinc/82/93/57/572829357.db2.gz	RURRFTPEUXMYNY-NQBHXWOUSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1cc(C)c2c(c1)NC[C@H]2C(C)C	71486470	572829359	/nfs/dbraw/zinc/82/93/59/572829359.db2.gz	OWUPKUBVJMKZEA-NSHDSACASA-N	0	0	189.302	3.469	10	0		AGAERN
CC(C)[C@H]1Cc2cccc(Cl)c2N1	71484698	572829393	/nfs/dbraw/zinc/82/93/93/572829393.db2.gz	BEZINKIWAPZCOX-SNVBAGLBSA-N	0	0	195.693	3.333	10	0		AGAERN
C[C@@H]1CCc2ccc(Cl)cc2C1=O	71488967	572829453	/nfs/dbraw/zinc/82/94/53/572829453.db2.gz	DJAPWOBPEFHUQB-SSDOTTSWSA-N	0	0	194.661	3.105	10	0		AGAERN
C[C@H]1Nc2ccc(Cl)cc2[C@H]1C	71484405	572829479	/nfs/dbraw/zinc/82/94/79/572829479.db2.gz	VJKRICFDADRTNJ-NKWVEPMBSA-N	0	0	181.666	3.258	10	0		AGAERN
CCc1ccc2c(c1)C[C@H](C(C)C)N2	71484645	572829535	/nfs/dbraw/zinc/82/95/35/572829535.db2.gz	ONDKGSAVTOICNH-CYBMUJFWSA-N	0	0	189.302	3.242	10	0		AGAERN
Nc1cc2c3c4c1CC[C@@H]4CC[C@H]3CC2	238572851	572829536	/nfs/dbraw/zinc/82/95/36/572829536.db2.gz	IIIKYJXNQLGUDY-IUCAKERBSA-N	0	0	199.297	3.122	10	0		AGAERN
C[C@H]1c2cc(Cl)ccc2N[C@@H]1C	71484408	572829605	/nfs/dbraw/zinc/82/96/05/572829605.db2.gz	VJKRICFDADRTNJ-RNFRBKRXSA-N	0	0	181.666	3.258	10	0		AGAERN
Cc1cccc2c1N[C@@H]1CCCC[C@H]21	71484320	572829693	/nfs/dbraw/zinc/82/96/93/572829693.db2.gz	NZDUVBJEVKOEOD-ZYHUDNBSSA-N	0	0	187.286	3.447	10	0		AGAERN
CCc1ccc2c(c1)C(=O)[C@H](C)CC2	71488955	572829747	/nfs/dbraw/zinc/82/97/47/572829747.db2.gz	MTHJPIOIAJQDGJ-SECBINFHSA-N	0	0	188.270	3.014	10	0		AGAERN
C/C(=C\Cl)c1cccc(Cl)n1	199070532	572829791	/nfs/dbraw/zinc/82/97/91/572829791.db2.gz	ATJJABGNKNQOIC-AATRIKPKSA-N	0	0	188.057	3.335	10	0		AGAERN
Cc1cc(C)c2ccc(C)c(O)c2c1	71489888	572829845	/nfs/dbraw/zinc/82/98/45/572829845.db2.gz	BKSUDMTXXOLWED-UHFFFAOYSA-N	0	0	186.254	3.471	10	0		AGAERN
Oc1cccc([C@H]2CCCSC2)c1	214778988	572830130	/nfs/dbraw/zinc/83/01/30/572830130.db2.gz	OWVGVZYFBIKPES-JTQLQIEISA-N	0	0	194.299	3.003	10	0		AGAERN
Nc1cc2c3c4c1CC[C@@H]4CC[C@@H]3CC2	238572886	572830151	/nfs/dbraw/zinc/83/01/51/572830151.db2.gz	IIIKYJXNQLGUDY-BDAKNGLRSA-N	0	0	199.297	3.122	10	0		AGAERN
C[C@H]1CCc2c(Cl)cccc2C1=O	71488996	572830381	/nfs/dbraw/zinc/83/03/81/572830381.db2.gz	KTIKCYMZHNVEFH-ZETCQYMHSA-N	0	0	194.661	3.105	10	0		AGAERN
CCc1cccc2c1N[C@@H](C(C)C)C2	71484688	572830260	/nfs/dbraw/zinc/83/02/60/572830260.db2.gz	NVSCTZGZABTQKW-GFCCVEGCSA-N	0	0	189.302	3.242	10	0		AGAERN
Cc1cccc2c1N[C@H]1CCCC[C@@H]21	71484321	572830281	/nfs/dbraw/zinc/83/02/81/572830281.db2.gz	NZDUVBJEVKOEOD-JQWIXIFHSA-N	0	0	187.286	3.447	10	0		AGAERN
Cn1c(-c2ccco2)cc2ccccc21	238567817	572830340	/nfs/dbraw/zinc/83/03/40/572830340.db2.gz	NBQRMIJDBUKSMF-UHFFFAOYSA-N	0	0	197.237	3.438	10	0		AGAERN
CCc1ccc2c(c1)[C@@H](C(C)C)CN2	71486413	572830533	/nfs/dbraw/zinc/83/05/33/572830533.db2.gz	KZTRFDMEZXEOIL-GFCCVEGCSA-N	0	0	189.302	3.414	10	0		AGAERN
CCC[C@@H](CC)CC(=O)CC	200415251	572830554	/nfs/dbraw/zinc/83/05/54/572830554.db2.gz	MKIZXGZTWMSXFV-SECBINFHSA-N	0	0	156.269	3.182	10	0		AGAERN
CC(C)[C@H]1Cc2cc(Cl)ccc2N1	71484661	572830617	/nfs/dbraw/zinc/83/06/17/572830617.db2.gz	WPCGGLGSSWJMNJ-LLVKDONJSA-N	0	0	195.693	3.333	10	0		AGAERN
O=C1CCC[C@@H]1c1ccc2[nH]ccc2c1	238586241	572830934	/nfs/dbraw/zinc/83/09/34/572830934.db2.gz	IDTGEIQPFUGJAY-LLVKDONJSA-N	0	0	199.253	3.005	10	0		AGAERN
O[C@@H](CC/C=C/Cl)C1CCCC1	236551997	572831266	/nfs/dbraw/zinc/83/12/66/572831266.db2.gz	KLSFOPCXOAKZTG-GOJXHPMJSA-N	0	0	188.698	3.070	10	0		AGAERN
CCC(C)(C)Oc1cccc(C=O)c1	85873867	572831394	/nfs/dbraw/zinc/83/13/94/572831394.db2.gz	RLHMOSDIIDBIQD-UHFFFAOYSA-N	0	0	192.258	3.067	10	0		AGAERN
O=C(CCC1CC1)c1sccc1F	308142179	572831804	/nfs/dbraw/zinc/83/18/04/572831804.db2.gz	UUQHWVWCMQEEFC-UHFFFAOYSA-N	0	0	198.262	3.260	10	0		AGAERN
CCC[C@H](CC)CC(=O)CC	200415288	572831823	/nfs/dbraw/zinc/83/18/23/572831823.db2.gz	MKIZXGZTWMSXFV-VIFPVBQESA-N	0	0	156.269	3.182	10	0		AGAERN
CC(C)(C)Cc1csc(C=O)c1	75392930	572834333	/nfs/dbraw/zinc/83/43/33/572834333.db2.gz	LURUMGNQCNMIPE-UHFFFAOYSA-N	0	0	182.288	3.149	10	0		AGAERN
O=C1CCC[C@@H]1c1ccc2cc[nH]c2c1	238586264	572831867	/nfs/dbraw/zinc/83/18/67/572831867.db2.gz	UAZVQBXOGZAECU-LLVKDONJSA-N	0	0	199.253	3.005	10	0		AGAERN
CCc1cccc2cc(C)n(C)c12	71494935	572834337	/nfs/dbraw/zinc/83/43/37/572834337.db2.gz	XGZCCKPWRUQBAG-UHFFFAOYSA-N	0	0	173.259	3.049	10	0		AGAERN
Cc1cc2cc(Cl)ccc2n1C	71494930	572831946	/nfs/dbraw/zinc/83/19/46/572831946.db2.gz	CBJYDLXZVJGACV-UHFFFAOYSA-N	0	0	179.650	3.140	10	0		AGAERN
Cc1ccc([C@@H](CF)[NH2+]C(C)C)cc1	107138799	572831990	/nfs/dbraw/zinc/83/19/90/572831990.db2.gz	JDLIQOQVPRMADL-GFCCVEGCSA-N	0	0	195.281	3.004	10	0		AGAERN
CC(C)CCc1ccsc1C=O	75393030	572834338	/nfs/dbraw/zinc/83/43/38/572834338.db2.gz	YGPUTONZBRGHBT-UHFFFAOYSA-N	0	0	182.288	3.149	10	0		AGAERN
CC(C)[C@@H]1CC[C@H](C)C/C1=C\[C@H](C)O	299888879	572832710	/nfs/dbraw/zinc/83/27/10/572832710.db2.gz	KLNNGPBGTMDKBF-XMCGCUNKSA-N	0	0	196.334	3.386	10	0		AGAERN
CCCC[Si](C)(CC)CCCO	214776837	572832912	/nfs/dbraw/zinc/83/29/12/572832912.db2.gz	YMUWWALMSMXMMD-UHFFFAOYSA-N	0	0	188.387	3.267	10	0		AGAERN
Cc1cc2cccc(Cl)c2n1C	71494938	572833352	/nfs/dbraw/zinc/83/33/52/572833352.db2.gz	YJBISGNZIRSSBY-UHFFFAOYSA-N	0	0	179.650	3.140	10	0		AGAERN
CC(C)CCc1csc(C=O)c1	75392933	572833702	/nfs/dbraw/zinc/83/37/02/572833702.db2.gz	FACWTGGNVBGKQC-UHFFFAOYSA-N	0	0	182.288	3.149	10	0		AGAERN
Cc1cc2ccc(Cl)cc2n1C	71494932	572834308	/nfs/dbraw/zinc/83/43/08/572834308.db2.gz	IWQSPYBKXNAEPA-UHFFFAOYSA-N	0	0	179.650	3.140	10	0		AGAERN
O=C1CCC[C@@H]1c1cccc2cc[nH]c12	238586029	572834039	/nfs/dbraw/zinc/83/40/39/572834039.db2.gz	BYTFBWIOMQDBDR-SNVBAGLBSA-N	0	0	199.253	3.005	10	0		AGAERN
O=Cc1sccc1CC1CCCC1	75393031	572834573	/nfs/dbraw/zinc/83/45/73/572834573.db2.gz	NHMGJRTYNIZODL-UHFFFAOYSA-N	0	0	194.299	3.293	10	0		AGAERN
CCc1ccc2c(c1)cc(C)n2C	71494926	572834652	/nfs/dbraw/zinc/83/46/52/572834652.db2.gz	ZFNFNVMSICJFHX-UHFFFAOYSA-N	0	0	173.259	3.049	10	0		AGAERN
O=C1CCC=CC[C@H]2CCCC[C@@H]12	238584952	572834747	/nfs/dbraw/zinc/83/47/47/572834747.db2.gz	WASVNUKFLBOCKP-WDEREUQCSA-N	0	0	178.275	3.102	10	0		AGAERN
CCCC(=O)Nc1cc(C)c(C)s1	71492163	572834808	/nfs/dbraw/zinc/83/48/08/572834808.db2.gz	DNLAZLGBMGIIEQ-UHFFFAOYSA-N	0	0	197.303	3.104	10	0		AGAERN
O=C1CCC[C@@H]1c1cccc2[nH]ccc12	238586009	572834920	/nfs/dbraw/zinc/83/49/20/572834920.db2.gz	QSAXLZPBTPNSRB-LLVKDONJSA-N	0	0	199.253	3.005	10	0		AGAERN
CC(C)CCc1ccc(C=O)s1	75386892	572835117	/nfs/dbraw/zinc/83/51/17/572835117.db2.gz	HXSHRGWYWGQMJI-UHFFFAOYSA-N	0	0	182.288	3.149	10	0		AGAERN
CCc1oc2ccc(Cl)cc2c1N	75393966	572835128	/nfs/dbraw/zinc/83/51/28/572835128.db2.gz	UMGXAQUXLYUODX-UHFFFAOYSA-N	0	0	195.649	3.231	10	0		AGAERN
CC(C)(C)Cc1ccsc1C=O	75393027	572835136	/nfs/dbraw/zinc/83/51/36/572835136.db2.gz	OWVZKFPJNMAEKT-UHFFFAOYSA-N	0	0	182.288	3.149	10	0		AGAERN
C/C(=C\CCCO)c1ccc(C)cc1	118401128	572835143	/nfs/dbraw/zinc/83/51/43/572835143.db2.gz	BZVVKBKBKRZYAJ-LFYBBSHMSA-N	0	0	190.286	3.171	10	0		AGAERN
CC(=O)c1occc1-c1cccs1	75386139	572835434	/nfs/dbraw/zinc/83/54/34/572835434.db2.gz	BHLLVUGIJBSHMS-UHFFFAOYSA-N	0	0	192.239	3.211	10	0		AGAERN
C/C(=C\c1ccc(C)cc1)CCCO	118418237	572835618	/nfs/dbraw/zinc/83/56/18/572835618.db2.gz	DASZGCQYZMGSCF-ZRDIBKRKSA-N	0	0	190.286	3.171	10	0		AGAERN
CCc1ccc(C(=O)C2(C)CC2)cc1	71500228	572835958	/nfs/dbraw/zinc/83/59/58/572835958.db2.gz	OKTRHKJTSWQOEJ-UHFFFAOYSA-N	0	0	188.270	3.232	10	0		AGAERN
O=Cc1cc(CC2CCCC2)cs1	75392934	572836143	/nfs/dbraw/zinc/83/61/43/572836143.db2.gz	PCJHLSOGHKPQSZ-UHFFFAOYSA-N	0	0	194.299	3.293	10	0		AGAERN
CC(=O)c1occc1-c1ccccc1	75386089	572836453	/nfs/dbraw/zinc/83/64/53/572836453.db2.gz	FRKQFQHLQQOESK-UHFFFAOYSA-N	0	0	186.210	3.149	10	0		AGAERN
CC/C(=C\c1ccccc1)CCCO	118413059	572836576	/nfs/dbraw/zinc/83/65/76/572836576.db2.gz	OOSQXRFBWKJHOU-VAWYXSNFSA-N	0	0	190.286	3.253	10	0		AGAERN
CCC(=O)CCC1(CC)CCC1	307955629	572837268	/nfs/dbraw/zinc/83/72/68/572837268.db2.gz	FDWJDGMGZUHKNC-UHFFFAOYSA-N	0	0	168.280	3.326	10	0		AGAERN
Cc1cc2scc(C(C)C)n2c1N	75395867	572837339	/nfs/dbraw/zinc/83/73/39/572837339.db2.gz	BIRRRLLNSGBUPV-UHFFFAOYSA-N	0	0	194.303	3.015	10	0		AGAERN
CC/C=C/[C@H](C)Cc1ccccn1	714561241	572837346	/nfs/dbraw/zinc/83/73/46/572837346.db2.gz	XVOHXXSLGXUFBH-ZPMKCOPCSA-N	0	0	175.275	3.226	10	0		AGAERN
CCC[C@@H](CCO)SC(C)(C)C	307957132	572837567	/nfs/dbraw/zinc/83/75/67/572837567.db2.gz	GVQDEVZOEWXIEB-VIFPVBQESA-N	0	0	190.352	3.069	10	0		AGAERN
CC(C)c1cc2sc(C=O)cc2[nH]1	75395160	572837570	/nfs/dbraw/zinc/83/75/70/572837570.db2.gz	JIJPBLXGFZTDRS-UHFFFAOYSA-N	0	0	193.271	3.165	10	0		AGAERN
CCC[C@H](CCO)SC(C)(C)C	307957131	572837689	/nfs/dbraw/zinc/83/76/89/572837689.db2.gz	GVQDEVZOEWXIEB-SECBINFHSA-N	0	0	190.352	3.069	10	0		AGAERN
CC(C)c1ccc2c(c1N)CCS2	75397131	572838127	/nfs/dbraw/zinc/83/81/27/572838127.db2.gz	FUCCDYUGMFXQDE-UHFFFAOYSA-N	0	0	193.315	3.040	10	0		AGAERN
Cc1ccc(C)c(C(=O)C2(C)CC2)c1	71500236	572838330	/nfs/dbraw/zinc/83/83/30/572838330.db2.gz	SPRNUIOBKRJGIW-UHFFFAOYSA-N	0	0	188.270	3.286	10	0		AGAERN
CC(C)c1ccc(N)c2c1SCC2	75397130	572838415	/nfs/dbraw/zinc/83/84/15/572838415.db2.gz	XMLMDKAGZYKKMY-UHFFFAOYSA-N	0	0	193.315	3.040	10	0		AGAERN
CC/C=C(\C)[C@H](O)C[C@@H](C)C(C)C	167831460	572839407	/nfs/dbraw/zinc/83/94/07/572839407.db2.gz	OHWMJCFOAPTNNB-SXSOHVCJSA-N	0	0	184.323	3.386	10	0		AGAERN
CC(C)c1ccc(N)c2ccoc12	75396865	572839945	/nfs/dbraw/zinc/83/99/45/572839945.db2.gz	CFXRATSHIVTTMT-UHFFFAOYSA-N	0	0	175.231	3.138	10	0		AGAERN
CCOC(=N)[C@H](CC)c1ccccc1	77254033	572839995	/nfs/dbraw/zinc/83/99/95/572839995.db2.gz	APFSQGCJUYHBCB-LLVKDONJSA-N	0	0	191.274	3.194	10	0		AGAERN
CCCC[C@@H](O)[C@H](C)C(C)(C)C	307957358	572840239	/nfs/dbraw/zinc/84/02/39/572840239.db2.gz	GXHQMFYSTGKQFC-VHSXEESVSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCSc1cccc(C)c1N	85936889	572840439	/nfs/dbraw/zinc/84/04/39/572840439.db2.gz	XWJSXYQROGBGDW-UHFFFAOYSA-N	0	0	195.331	3.469	10	0		AGAERN
CCCC(=O)CCCSC(C)C	307957785	572840512	/nfs/dbraw/zinc/84/05/12/572840512.db2.gz	HKTNRSLAPUZGGN-UHFFFAOYSA-N	0	0	188.336	3.277	10	0		AGAERN
CCCCSc1cc(C)ccc1N	85930505	572840583	/nfs/dbraw/zinc/84/05/83/572840583.db2.gz	XCUBRUQBUXRSAF-UHFFFAOYSA-N	0	0	195.331	3.469	10	0		AGAERN
CC[C@H](C)CSc1cccc(N)c1	85927446	572840708	/nfs/dbraw/zinc/84/07/08/572840708.db2.gz	SFCHKWYDTXUUDG-VIFPVBQESA-N	0	0	195.331	3.407	10	0		AGAERN
CCCC[C@H](O)[C@@H](C)C(C)(C)C	307957359	572840759	/nfs/dbraw/zinc/84/07/59/572840759.db2.gz	GXHQMFYSTGKQFC-ZJUUUORDSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCC[C@H](O)[C@H](C)C(C)(C)C	307957357	572841178	/nfs/dbraw/zinc/84/11/78/572841178.db2.gz	GXHQMFYSTGKQFC-UWVGGRQHSA-N	0	0	172.312	3.220	10	0		AGAERN
CCOC(=N)[C@@H](CC)c1ccccc1	77254032	572841515	/nfs/dbraw/zinc/84/15/15/572841515.db2.gz	APFSQGCJUYHBCB-NSHDSACASA-N	0	0	191.274	3.194	10	0		AGAERN
CCCCSc1ccc(N)c(F)c1	85935685	572841580	/nfs/dbraw/zinc/84/15/80/572841580.db2.gz	BRUHAIKUECWLHN-UHFFFAOYSA-N	0	0	199.294	3.300	10	0		AGAERN
Cc1ccc(Oc2ccccc2)cc1N	118516016	572841670	/nfs/dbraw/zinc/84/16/70/572841670.db2.gz	WQVMODODUXDXSY-UHFFFAOYSA-N	0	0	199.253	3.370	10	0		AGAERN
CCCC[C@@H](O)[C@@H](C)C(C)(C)C	307957356	572841816	/nfs/dbraw/zinc/84/18/16/572841816.db2.gz	GXHQMFYSTGKQFC-NXEZZACHSA-N	0	0	172.312	3.220	10	0		AGAERN
CC(C)CCSc1cccc(N)c1	85927107	572842207	/nfs/dbraw/zinc/84/22/07/572842207.db2.gz	FCSJLQVOLNZSPO-UHFFFAOYSA-N	0	0	195.331	3.407	10	0		AGAERN
CC[C@@H](C)CSc1cccc(N)c1	85927440	572842311	/nfs/dbraw/zinc/84/23/11/572842311.db2.gz	SFCHKWYDTXUUDG-SECBINFHSA-N	0	0	195.331	3.407	10	0		AGAERN
CC(C)[C@@H](CCCCCF)[C@H](C)O	308149643	572842470	/nfs/dbraw/zinc/84/24/70/572842470.db2.gz	QCNQDBXYWRWBJF-WDEREUQCSA-N	0	0	190.302	3.169	10	0		AGAERN
C/C=C\[C@H](O)C1=C(C)CCC1(C)C	308150732	572842465	/nfs/dbraw/zinc/84/24/65/572842465.db2.gz	HNHZBCOYPYGOTE-OMMCCPJFSA-N	0	0	180.291	3.060	10	0		AGAERN
CC/C=C/[C@H](O)/C=C\CCCCC	308151017	572842836	/nfs/dbraw/zinc/84/28/36/572842836.db2.gz	HYLHTAYPQWJEGE-UCMONVPRSA-N	0	0	182.307	3.450	10	0		AGAERN
CC/C=C\[C@H](O)/C=C/CCCCC	308151006	572843025	/nfs/dbraw/zinc/84/30/25/572843025.db2.gz	HYLHTAYPQWJEGE-JYYCZOJOSA-N	0	0	182.307	3.450	10	0		AGAERN
O=C1CCC=CCCC=CCCC1	256081161	572843126	/nfs/dbraw/zinc/84/31/26/572843126.db2.gz	AZSAUMXEXMBZBS-UHFFFAOYSA-N	0	0	178.275	3.412	10	0		AGAERN
CC[C@@H](C)C(=O)Cc1csc(C)c1	308149613	572843305	/nfs/dbraw/zinc/84/33/05/572843305.db2.gz	QBTXBKLVZYJHDM-MRVPVSSYSA-N	0	0	196.315	3.214	10	0		AGAERN
CC(C)[C@@H](CCCCCF)[C@@H](C)O	308149639	572843694	/nfs/dbraw/zinc/84/36/94/572843694.db2.gz	QCNQDBXYWRWBJF-GHMZBOCLSA-N	0	0	190.302	3.169	10	0		AGAERN
O=Cc1occc1CC1CCCCC1	75410362	572843799	/nfs/dbraw/zinc/84/37/99/572843799.db2.gz	CYXBRNMDDDKDTR-UHFFFAOYSA-N	0	0	192.258	3.215	10	0		AGAERN
CC(C)C[C@@H](C)CC(=O)C(C)(C)F	308149611	572843837	/nfs/dbraw/zinc/84/38/37/572843837.db2.gz	QBPFOTQTAWETHW-SECBINFHSA-N	0	0	188.286	3.376	10	0		AGAERN
C/C=C\[C@@H](O)[C@@H](C)/C=C(C)\C=C\C	308150492	572844404	/nfs/dbraw/zinc/84/44/04/572844404.db2.gz	GWROKAVQVKRDEH-UQQRJXCJSA-N	0	0	180.291	3.082	10	0		AGAERN
CC(C)[C@H](CCCCCF)[C@@H](C)O	308149640	572844394	/nfs/dbraw/zinc/84/43/94/572844394.db2.gz	QCNQDBXYWRWBJF-MNOVXSKESA-N	0	0	190.302	3.169	10	0		AGAERN
CCC/C=C/C=C/C=C/[C@@H](O)CC	308149406	572844396	/nfs/dbraw/zinc/84/43/96/572844396.db2.gz	GOPOSYACGMOYHJ-QGMCVGLSSA-N	0	0	180.291	3.226	10	0		AGAERN
CC(C)C[C@H](C)CC(=O)C(C)(C)F	308149612	572844492	/nfs/dbraw/zinc/84/44/92/572844492.db2.gz	QBPFOTQTAWETHW-VIFPVBQESA-N	0	0	188.286	3.376	10	0		AGAERN
CC[C@@H](/C=C\C1CCCCC1)CO	308149170	572844539	/nfs/dbraw/zinc/84/45/39/572844539.db2.gz	FRYUCRAXTJZXIM-IQQGHNRFSA-N	0	0	182.307	3.141	10	0		AGAERN
CC(C)[C@H](O)/C=C\C1=CCCCC1	308150672	572844735	/nfs/dbraw/zinc/84/47/35/572844735.db2.gz	HKNZDAAROPJHBJ-JLVNDZCYSA-N	0	0	180.291	3.060	10	0		AGAERN
CC(C)[C@H](CCCCCF)[C@H](C)O	308149642	572844762	/nfs/dbraw/zinc/84/47/62/572844762.db2.gz	QCNQDBXYWRWBJF-QWRGUYRKSA-N	0	0	190.302	3.169	10	0		AGAERN
CC/C=C(\C)[C@@H](O)C1=CCCCC1	308152569	572845244	/nfs/dbraw/zinc/84/52/44/572845244.db2.gz	JPEZRLHHMJYYPJ-OFFHKIPUSA-N	0	0	180.291	3.204	10	0		AGAERN
O=Cc1cc(CC2CCCCC2)co1	75424300	572845368	/nfs/dbraw/zinc/84/53/68/572845368.db2.gz	DRRQXKABDVIMHH-UHFFFAOYSA-N	0	0	192.258	3.215	10	0		AGAERN
Cc1ocnc1CS[C@H](C)C(C)C	308151800	572845524	/nfs/dbraw/zinc/84/55/24/572845524.db2.gz	OUPKEDJTSABRLC-SECBINFHSA-N	0	0	199.319	3.261	10	0		AGAERN
CC(C)(C)[C@H](O)CCCCCCF	308152951	572845582	/nfs/dbraw/zinc/84/55/82/572845582.db2.gz	RWHOFMTVHSNIIG-SNVBAGLBSA-N	0	0	190.302	3.313	10	0		AGAERN
C/C=C/[C@@H](O)C/C(C)=C\[Si](C)(C)C	308151658	572845699	/nfs/dbraw/zinc/84/56/99/572845699.db2.gz	JACFBNWZWCHZID-CMJFVOJHSA-N	0	0	198.382	3.137	10	0		AGAERN
C=C/C=C\[C@H](O)CC/C=C(/C)C=C	308151630	572845740	/nfs/dbraw/zinc/84/57/40/572845740.db2.gz	IVEGXSNTWTUZBC-FEYCRDNPSA-N	0	0	178.275	3.002	10	0		AGAERN
CC(C)CCCS[C@H]1CCCO1	307963623	572845828	/nfs/dbraw/zinc/84/58/28/572845828.db2.gz	OTSBLGMHBKVMEN-JTQLQIEISA-N	0	0	188.336	3.292	10	0		AGAERN
Cc1cc(/C=C\CC(C)C)ccn1	308153651	572848784	/nfs/dbraw/zinc/84/87/84/572848784.db2.gz	PVASCXSJDGHZAN-XQRVVYSFSA-N	0	0	175.275	3.449	10	0		AGAERN
O=Cc1ccc(CC2CCCCC2)o1	75424830	572846557	/nfs/dbraw/zinc/84/65/57/572846557.db2.gz	RCRGMAQEIKMNDN-UHFFFAOYSA-N	0	0	192.258	3.215	10	0		AGAERN
CC/C=C(\C)[C@H](O)C1=CCCCC1	308152571	572846574	/nfs/dbraw/zinc/84/65/74/572846574.db2.gz	JPEZRLHHMJYYPJ-PMDBQALLSA-N	0	0	180.291	3.204	10	0		AGAERN
CC[C@H](C)[C@@H](O)[C@@H](C)C(C)(C)C	307959579	572848791	/nfs/dbraw/zinc/84/87/91/572848791.db2.gz	JJSKTLOGCLHMOX-IVZWLZJFSA-N	0	0	172.312	3.076	10	0		AGAERN
CC(C)CCCS[C@@H]1CCCO1	307963624	572847254	/nfs/dbraw/zinc/84/72/54/572847254.db2.gz	OTSBLGMHBKVMEN-SNVBAGLBSA-N	0	0	188.336	3.292	10	0		AGAERN
CSc1ccoc1C(=O)CC(C)C	75481790	572847386	/nfs/dbraw/zinc/84/73/86/572847386.db2.gz	GJJVDOWNEYZHJB-UHFFFAOYSA-N	0	0	198.287	3.230	10	0		AGAERN
Nc1csc(NC2CCCCC2)c1	75491062	572847396	/nfs/dbraw/zinc/84/73/96/572847396.db2.gz	QSHRMASVDKDONG-UHFFFAOYSA-N	0	0	196.319	3.075	10	0		AGAERN
CCCC1([C@H](O)CCCCF)CC1	308151196	572847412	/nfs/dbraw/zinc/84/74/12/572847412.db2.gz	QXOWJUCNSCIWPA-SNVBAGLBSA-N	0	0	188.286	3.067	10	0		AGAERN
C/C=C/[C@@H](O)C/C(C)=C/[Si](C)(C)C	308151654	572847433	/nfs/dbraw/zinc/84/74/33/572847433.db2.gz	JACFBNWZWCHZID-ANTORYRESA-N	0	0	198.382	3.137	10	0		AGAERN
CCc1c(C=O)oc2cc(C)ccc12	75427018	572847443	/nfs/dbraw/zinc/84/74/43/572847443.db2.gz	AAOQBLKKHNKZKT-UHFFFAOYSA-N	0	0	188.226	3.116	10	0		AGAERN
CSc1ccoc1C(=O)C(C)(C)C	75481777	572847510	/nfs/dbraw/zinc/84/75/10/572847510.db2.gz	XAOLSMVAQVMWDK-UHFFFAOYSA-N	0	0	198.287	3.230	10	0		AGAERN
CC(C)=CCC/C(=C\CO)C1CC1	308152475	572847668	/nfs/dbraw/zinc/84/76/68/572847668.db2.gz	JGWKARMQJUPEAB-DHZHZOJOSA-N	0	0	180.291	3.062	10	0		AGAERN
C=C/C=C\[C@H](O)CC/C=C(\C)C=C	308151631	572847751	/nfs/dbraw/zinc/84/77/51/572847751.db2.gz	IVEGXSNTWTUZBC-HVKURLNASA-N	0	0	178.275	3.002	10	0		AGAERN
CCc1ccc2c(c1)[C@H](C)[C@H](C)N2	71484376	572847826	/nfs/dbraw/zinc/84/78/26/572847826.db2.gz	MVSMZIZIFUYPPJ-BDAKNGLRSA-N	0	0	175.275	3.167	10	0		AGAERN
CC(=O)[C@H](C)SC(C)(C)C(C)C	307959274	572847948	/nfs/dbraw/zinc/84/79/48/572847948.db2.gz	IZONJKJTBUZUAW-VIFPVBQESA-N	0	0	188.336	3.132	10	0		AGAERN
CC(=O)[C@@H](C)SC(C)(C)C(C)C	307959273	572848016	/nfs/dbraw/zinc/84/80/16/572848016.db2.gz	IZONJKJTBUZUAW-SECBINFHSA-N	0	0	188.336	3.132	10	0		AGAERN
CCCc1sc(SC)cc1N	75490623	572848173	/nfs/dbraw/zinc/84/81/73/572848173.db2.gz	NKHZAMCHHPQMPE-UHFFFAOYSA-N	0	0	187.333	3.005	10	0		AGAERN
Cc1occc1SCC[C@H](C)F	307959650	572848532	/nfs/dbraw/zinc/84/85/32/572848532.db2.gz	VFVLUOFJUPKSFE-ZETCQYMHSA-N	0	0	188.267	3.428	10	0		AGAERN
CCc1c(C=O)oc2ccc(C)cc12	75427081	572848562	/nfs/dbraw/zinc/84/85/62/572848562.db2.gz	GSOJPQBHMYZMKL-UHFFFAOYSA-N	0	0	188.226	3.116	10	0		AGAERN
CC(=O)O[C@@H](C)C[C@H](C)CC(C)C	308153649	572848580	/nfs/dbraw/zinc/84/85/80/572848580.db2.gz	PUWDDMAAYDIENJ-ZJUUUORDSA-N	0	0	186.295	3.010	10	0		AGAERN
C[C@@H]1Nc2cc(Cl)ccc2[C@@H]1C	71484439	572849868	/nfs/dbraw/zinc/84/98/68/572849868.db2.gz	HKWJUNLNWDIZQR-RQJHMYQMSA-N	0	0	181.666	3.258	10	0		AGAERN
C[C@@H]1Nc2cc(Cl)ccc2[C@H]1C	71484437	572848874	/nfs/dbraw/zinc/84/88/74/572848874.db2.gz	HKWJUNLNWDIZQR-BQBZGAKWSA-N	0	0	181.666	3.258	10	0		AGAERN
CC(=O)O[C@H](C)C[C@H](C)CC(C)C	308153646	572848932	/nfs/dbraw/zinc/84/89/32/572848932.db2.gz	PUWDDMAAYDIENJ-NXEZZACHSA-N	0	0	186.295	3.010	10	0		AGAERN
O=Cc1ccc(-c2ccc(Cl)o2)o1	75426911	572848978	/nfs/dbraw/zinc/84/89/78/572848978.db2.gz	YZZAAUUSQBWILP-UHFFFAOYSA-N	0	0	196.589	3.006	10	0		AGAERN
CCC(=O)[C@@H](C)CCSC(C)C	307959798	572848985	/nfs/dbraw/zinc/84/89/85/572848985.db2.gz	JQUPMSCOYDYRDU-VIFPVBQESA-N	0	0	188.336	3.133	10	0		AGAERN
CC[C@H](C)[C@@H](O)[C@H](C)C(C)(C)C	307959580	572849023	/nfs/dbraw/zinc/84/90/23/572849023.db2.gz	JJSKTLOGCLHMOX-LPEHRKFASA-N	0	0	172.312	3.076	10	0		AGAERN
Fc1cccc2c1N[C@@H]1CCCC[C@H]21	71484341	572849084	/nfs/dbraw/zinc/84/90/84/572849084.db2.gz	HHHLDMGODXRMGA-LDYMZIIASA-N	0	0	191.249	3.277	10	0		AGAERN
CCc1cccc2c1N[C@@H](C)[C@H]2C	71484472	572849130	/nfs/dbraw/zinc/84/91/30/572849130.db2.gz	GWVXCVDSEGDSCD-BDAKNGLRSA-N	0	0	175.275	3.167	10	0		AGAERN
CCOc1ccc2c(c1)[C@H](C)[C@H](C)N2	71484427	572849168	/nfs/dbraw/zinc/84/91/68/572849168.db2.gz	HFVSSOIGWCVSJZ-BDAKNGLRSA-N	0	0	191.274	3.003	10	0		AGAERN
Cc1occc1SCC[C@@H](C)F	307959648	572849452	/nfs/dbraw/zinc/84/94/52/572849452.db2.gz	VFVLUOFJUPKSFE-SSDOTTSWSA-N	0	0	188.267	3.428	10	0		AGAERN
Cc1c(C=O)oc2cc(Cl)ccc12	75427056	572849530	/nfs/dbraw/zinc/84/95/30/572849530.db2.gz	AKWBTKCPBJOZLU-UHFFFAOYSA-N	0	0	194.617	3.207	10	0		AGAERN
CCCc1scc(N)c1SC	75481310	572849627	/nfs/dbraw/zinc/84/96/27/572849627.db2.gz	HSWXQIIDJPRVKM-UHFFFAOYSA-N	0	0	187.333	3.005	10	0		AGAERN
Cc1ccc(C)c2c(C)c(C=O)oc12	75427109	572849896	/nfs/dbraw/zinc/84/98/96/572849896.db2.gz	KZBAUKSFLVEETB-UHFFFAOYSA-N	0	0	188.226	3.171	10	0		AGAERN
CC(C)c1c(C=O)sc2ccoc12	75426682	572849928	/nfs/dbraw/zinc/84/99/28/572849928.db2.gz	FHUYWDIHOBFRLL-UHFFFAOYSA-N	0	0	194.255	3.430	10	0		AGAERN
CC(C)c1nc(C=O)cc2ccccc12	77256161	572849974	/nfs/dbraw/zinc/84/99/74/572849974.db2.gz	OLTIORFBBLLYPJ-UHFFFAOYSA-N	0	0	199.253	3.171	10	0		AGAERN
CC(C)SCc1ccnn1C(C)C	308144912	572850058	/nfs/dbraw/zinc/85/00/58/572850058.db2.gz	LCQBGAIAWXOJGO-UHFFFAOYSA-N	0	0	198.335	3.106	10	0		AGAERN
CSc1c(N)csc1CC1CC1	75481323	572850145	/nfs/dbraw/zinc/85/01/45/572850145.db2.gz	HSQFEEDOXCSBBN-UHFFFAOYSA-N	0	0	199.344	3.005	10	0		AGAERN
CCCC[C@H](C)[C@@H](O)CCCCF	308144954	572850298	/nfs/dbraw/zinc/85/02/98/572850298.db2.gz	NJAPDDYCVULOJQ-QWRGUYRKSA-N	0	0	190.302	3.313	10	0		AGAERN
CSc1c(C=O)coc1CC(C)C	75482430	572850454	/nfs/dbraw/zinc/85/04/54/572850454.db2.gz	CDAAXWQZSZNYIF-UHFFFAOYSA-N	0	0	198.287	3.013	10	0		AGAERN
CCCC[C@@H](C)[C@@H](O)CCCCF	308144952	572850494	/nfs/dbraw/zinc/85/04/94/572850494.db2.gz	NJAPDDYCVULOJQ-MNOVXSKESA-N	0	0	190.302	3.313	10	0		AGAERN
CCc1c(C=O)sc2ccsc12	75426738	572850526	/nfs/dbraw/zinc/85/05/26/572850526.db2.gz	PXUWUSSWGJFJLK-UHFFFAOYSA-N	0	0	196.296	3.338	10	0		AGAERN
CCC(=O)[C@H](C)CCSC(C)C	307959797	572850560	/nfs/dbraw/zinc/85/05/60/572850560.db2.gz	JQUPMSCOYDYRDU-SECBINFHSA-N	0	0	188.336	3.133	10	0		AGAERN
CCC(=O)CCS[C@@H](C)C(C)C	307960792	572852234	/nfs/dbraw/zinc/85/22/34/572852234.db2.gz	WQFDYTAPJIOOIJ-VIFPVBQESA-N	0	0	188.336	3.133	10	0		AGAERN
CCCC[C@@H](O)c1sccc1F	307960591	572852644	/nfs/dbraw/zinc/85/26/44/572852644.db2.gz	KQVCQDPLVYEUIG-MRVPVSSYSA-N	0	0	188.267	3.111	10	0		AGAERN
O=C1CCC[C@H]1c1cccc2cc[nH]c12	238588530	572853028	/nfs/dbraw/zinc/85/30/28/572853028.db2.gz	BYTFBWIOMQDBDR-JTQLQIEISA-N	0	0	199.253	3.005	10	0		AGAERN
Cc1cscc1-c1cc(N)oc1C	257584169	572853187	/nfs/dbraw/zinc/85/31/87/572853187.db2.gz	BZOBMEVJEZGEOH-UHFFFAOYSA-N	0	0	193.271	3.207	10	0		AGAERN
O=C1CCC[C@H]1c1cccc2[nH]ccc12	238588513	572853614	/nfs/dbraw/zinc/85/36/14/572853614.db2.gz	QSAXLZPBTPNSRB-NSHDSACASA-N	0	0	199.253	3.005	10	0		AGAERN
CC(C)c1nsc2scc(N)c12	75519848	572853720	/nfs/dbraw/zinc/85/37/20/572853720.db2.gz	MNYWBOPIMONOPS-UHFFFAOYSA-N	0	0	198.316	3.063	10	0		AGAERN
C/C=C\CSc1ccc(F)cc1	307960715	572853860	/nfs/dbraw/zinc/85/38/60/572853860.db2.gz	WILREMHQFVFLSQ-IHWYPQMZSA-N	0	0	182.263	3.494	10	0		AGAERN
CCCC[C@H](O)c1sccc1F	307960592	572854070	/nfs/dbraw/zinc/85/40/70/572854070.db2.gz	KQVCQDPLVYEUIG-QMMMGPOBSA-N	0	0	188.267	3.111	10	0		AGAERN
CCC(=O)c1ccc(SC)s1	75467921	572854539	/nfs/dbraw/zinc/85/45/39/572854539.db2.gz	GJQZUSQCCBYYQZ-UHFFFAOYSA-N	0	0	186.301	3.063	10	0		AGAERN
O=C1CCC[C@H]1c1ccc2cc[nH]c2c1	238588714	572854744	/nfs/dbraw/zinc/85/47/44/572854744.db2.gz	UAZVQBXOGZAECU-NSHDSACASA-N	0	0	199.253	3.005	10	0		AGAERN
CCc1sc2c(N)csc2c1C	75465427	572854773	/nfs/dbraw/zinc/85/47/73/572854773.db2.gz	FAZUJBHHEXERPV-UHFFFAOYSA-N	0	0	197.328	3.416	10	0		AGAERN
CSc1ccc(C(=O)CC(C)C)o1	75479378	572854840	/nfs/dbraw/zinc/85/48/40/572854840.db2.gz	DOXTXXDDGMYTBY-UHFFFAOYSA-N	0	0	198.287	3.230	10	0		AGAERN
CCCC1(C(=O)CC2CCC2)CC1	308146025	572854853	/nfs/dbraw/zinc/85/48/53/572854853.db2.gz	NXFSVJMXVFUMHA-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
Cc1c(C=O)sc2ccsc12	75454798	572855013	/nfs/dbraw/zinc/85/50/13/572855013.db2.gz	LCXCMXOOQGCLCO-UHFFFAOYSA-N	0	0	182.269	3.084	10	0		AGAERN
O=C1CCC[C@H]1c1ccc2[nH]ccc2c1	238588692	572855048	/nfs/dbraw/zinc/85/50/48/572855048.db2.gz	IDTGEIQPFUGJAY-NSHDSACASA-N	0	0	199.253	3.005	10	0		AGAERN
Cc1c(C=O)oc2cccc(Cl)c12	75454918	572856277	/nfs/dbraw/zinc/85/62/77/572856277.db2.gz	KXKZZDQCPBTSBR-UHFFFAOYSA-N	0	0	194.617	3.207	10	0		AGAERN
CCc1c(C=O)oc2c(C)cccc12	75454855	572855352	/nfs/dbraw/zinc/85/53/52/572855352.db2.gz	UAAPFEVAOALRBG-UHFFFAOYSA-N	0	0	188.226	3.116	10	0		AGAERN
CSc1ccc(CCC(C)C)[nH]1	75469404	572855376	/nfs/dbraw/zinc/85/53/76/572855376.db2.gz	NRYWLFZDUSFKLG-UHFFFAOYSA-N	0	0	183.320	3.325	10	0		AGAERN
CSc1ccc(CCC(C)C)n1C	75469268	572855398	/nfs/dbraw/zinc/85/53/98/572855398.db2.gz	FJJKTDVQQYFEMR-UHFFFAOYSA-N	0	0	197.347	3.336	10	0		AGAERN
CC(C)C(=O)CCC1(C)CCC1	307962086	572855414	/nfs/dbraw/zinc/85/54/14/572855414.db2.gz	MUODSNPXWDMIAO-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CSc1ccc(CC(C)(C)C)n1C	75469247	572855535	/nfs/dbraw/zinc/85/55/35/572855535.db2.gz	SOGVOQFQVLQFOW-UHFFFAOYSA-N	0	0	197.347	3.336	10	0		AGAERN
CSc1ccc(C(=O)C(C)(C)C)o1	75479361	572855592	/nfs/dbraw/zinc/85/55/92/572855592.db2.gz	BUCAPAFTMTVLKU-UHFFFAOYSA-N	0	0	198.287	3.230	10	0		AGAERN
CCc1cc2scc(N)c2s1	75465482	572855605	/nfs/dbraw/zinc/85/56/05/572855605.db2.gz	HKAMAUSACBBNJT-UHFFFAOYSA-N	0	0	183.301	3.107	10	0		AGAERN
O=Cc1coc(CC2CCCCC2)c1	75480219	572855775	/nfs/dbraw/zinc/85/57/75/572855775.db2.gz	CFCZTZCKRXKTAS-UHFFFAOYSA-N	0	0	192.258	3.215	10	0		AGAERN
CSc1ccc(CC(C)(C)C)[nH]1	75469389	572855779	/nfs/dbraw/zinc/85/57/79/572855779.db2.gz	KUWAPRPKDNVQJY-UHFFFAOYSA-N	0	0	183.320	3.325	10	0		AGAERN
CC1(C(=O)CCCCF)CCCC1	308146510	572855797	/nfs/dbraw/zinc/85/57/97/572855797.db2.gz	OJUKBKKHBMRGGE-UHFFFAOYSA-N	0	0	186.270	3.276	10	0		AGAERN
CC(C)/C=C\C1(CO)CCCCC1	308147667	572855920	/nfs/dbraw/zinc/85/59/20/572855920.db2.gz	DTFIGJSOSVMIBL-TWGQIWQCSA-N	0	0	182.307	3.141	10	0		AGAERN
Nc1ccoc1-c1sccc1Cl	257584301	572855947	/nfs/dbraw/zinc/85/59/47/572855947.db2.gz	FIJQGLKJAAGVAY-UHFFFAOYSA-N	0	0	199.662	3.244	10	0		AGAERN
CC(C)CC(=O)CC1(C)CCC1	307961391	572856254	/nfs/dbraw/zinc/85/62/54/572856254.db2.gz	LUEYFIFUPNMDHB-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
O=Cc1csc(CC2CCCC2)c1	75468690	572856421	/nfs/dbraw/zinc/85/64/21/572856421.db2.gz	MDHFBXMOBKOYIY-UHFFFAOYSA-N	0	0	194.299	3.293	10	0		AGAERN
CCc1c(C=O)oc2cccc(C)c12	75454881	572856486	/nfs/dbraw/zinc/85/64/86/572856486.db2.gz	HIPWYTMSLNRJBA-UHFFFAOYSA-N	0	0	188.226	3.116	10	0		AGAERN
Cc1ccc(-c2cc(N)oc2C)cc1	257584351	572856571	/nfs/dbraw/zinc/85/65/71/572856571.db2.gz	YDMYYNYWGTYQBE-UHFFFAOYSA-N	0	0	187.242	3.146	10	0		AGAERN
CC(C)(C)Cc1cc(C=O)cs1	75468668	572856612	/nfs/dbraw/zinc/85/66/12/572856612.db2.gz	ZNVJEPGDRMSYNZ-UHFFFAOYSA-N	0	0	182.288	3.149	10	0		AGAERN
CC[C@H](C)C[C@H](C)C[C@H](C)CCO	308147499	572856688	/nfs/dbraw/zinc/85/66/88/572856688.db2.gz	DEQQKKSENJFMTH-TUAOUCFPSA-N	0	0	186.339	3.467	10	0		AGAERN
CCCCC/C=C/C=C\[C@H](O)CC	308147664	572857054	/nfs/dbraw/zinc/85/70/54/572857054.db2.gz	DSWGFJDKFBSNNI-FKONYKOPSA-N	0	0	182.307	3.450	10	0		AGAERN
CC(C)CCc1cc(C=O)cs1	75468686	572857166	/nfs/dbraw/zinc/85/71/66/572857166.db2.gz	SQRBVZJNSPFROD-UHFFFAOYSA-N	0	0	182.288	3.149	10	0		AGAERN
Cc1sc2c(N)csc2c1C	75465479	572857228	/nfs/dbraw/zinc/85/72/28/572857228.db2.gz	PCIKPNQOZOLUBL-UHFFFAOYSA-N	0	0	183.301	3.162	10	0		AGAERN
CC[C@@H](C)C[C@@H](C)C[C@@H](C)CCO	308147496	572857407	/nfs/dbraw/zinc/85/74/07/572857407.db2.gz	DEQQKKSENJFMTH-GRYCIOLGSA-N	0	0	186.339	3.467	10	0		AGAERN
CCCC(=O)CC1(CC)CCC1	307963241	572857493	/nfs/dbraw/zinc/85/74/93/572857493.db2.gz	OIUBDTRNEXDENF-UHFFFAOYSA-N	0	0	168.280	3.326	10	0		AGAERN
O[C@@H](CCCCF)C1CCCCC1	308146886	572857494	/nfs/dbraw/zinc/85/74/94/572857494.db2.gz	OMHYGZQWAYCVOH-NSHDSACASA-N	0	0	188.286	3.067	10	0		AGAERN
CCCCC/C=C/C=C\[C@@H](O)CC	308147665	572857582	/nfs/dbraw/zinc/85/75/82/572857582.db2.gz	DSWGFJDKFBSNNI-RLDYXNTFSA-N	0	0	182.307	3.450	10	0		AGAERN
Nc1sccc1C1CCCCC1	257584278	572857629	/nfs/dbraw/zinc/85/76/29/572857629.db2.gz	WOSKZFTVQBTXDA-UHFFFAOYSA-N	0	0	181.304	3.378	10	0		AGAERN
C/C(C/C=C/CO)=C(\C)[Si](C)(C)C	308147426	572857662	/nfs/dbraw/zinc/85/76/62/572857662.db2.gz	DAKFNKADTRYFNU-WFKFFMJQSA-N	0	0	198.382	3.139	10	0		AGAERN
CC[C@@H](C)C[C@@H](C)C[C@H](C)CCO	308147498	572857872	/nfs/dbraw/zinc/85/78/72/572857872.db2.gz	DEQQKKSENJFMTH-IJLUTSLNSA-N	0	0	186.339	3.467	10	0		AGAERN
CSc1ccsc1C(=O)C1CC1	75480681	572857916	/nfs/dbraw/zinc/85/79/16/572857916.db2.gz	LPXQLDCTDRSVQG-UHFFFAOYSA-N	0	0	198.312	3.063	10	0		AGAERN
CC[C@H](C)C(O)(C(C)C)C(C)C	307963029	572858051	/nfs/dbraw/zinc/85/80/51/572858051.db2.gz	NYCJTOCJPOYSHI-JTQLQIEISA-N	0	0	172.312	3.076	10	0		AGAERN
CC[C@@H](C)C(O)(C(C)C)C(C)C	307963030	572859214	/nfs/dbraw/zinc/85/92/14/572859214.db2.gz	NYCJTOCJPOYSHI-SNVBAGLBSA-N	0	0	172.312	3.076	10	0		AGAERN
C/C=C/[C@H](C)Cc1ccc(O)cc1C	714565739	572859232	/nfs/dbraw/zinc/85/92/32/572859232.db2.gz	QCWLNCCRTMOKEI-YEZKRMTDSA-N	0	0	190.286	3.455	10	0		AGAERN
CC[C@H](C)OCc1cccc(Cl)n1	86114899	572864508	/nfs/dbraw/zinc/86/45/08/572864508.db2.gz	DMQMOIAXEZDURS-QMMMGPOBSA-N	0	0	199.681	3.050	10	0		AGAERN
Cc1cc(Cl)c(Cl)c(O)c1C	71605742	572859385	/nfs/dbraw/zinc/85/93/85/572859385.db2.gz	DVCMHVMFRYKGFJ-UHFFFAOYSA-N	0	0	191.057	3.316	10	0		AGAERN
CCCCC(C)(CO)CCCC	118696384	572859465	/nfs/dbraw/zinc/85/94/65/572859465.db2.gz	WGZUMOZTEUUWKE-UHFFFAOYSA-N	0	0	172.312	3.365	10	0		AGAERN
C/C=C/[C@@H](C)Cc1ccc(O)cc1C	714565738	572859552	/nfs/dbraw/zinc/85/95/52/572859552.db2.gz	QCWLNCCRTMOKEI-ORAHPGNNSA-N	0	0	190.286	3.455	10	0		AGAERN
CC/C=C\C[C@@H](O)/C=C/[Si](C)(C)C	308153957	572859873	/nfs/dbraw/zinc/85/98/73/572859873.db2.gz	LCBPKVIBGDXILG-IHHGUDBSSA-N	0	0	198.382	3.137	10	0		AGAERN
COC[C@@H](C)SC(C)(C)C(C)C	308147858	572859900	/nfs/dbraw/zinc/85/99/00/572859900.db2.gz	LDYPKMINQDDMHQ-SECBINFHSA-N	0	0	190.352	3.189	10	0		AGAERN
COC[C@H](C)SC(C)(C)C(C)C	308147859	572860027	/nfs/dbraw/zinc/86/00/27/572860027.db2.gz	LDYPKMINQDDMHQ-VIFPVBQESA-N	0	0	190.352	3.189	10	0		AGAERN
C/C=C/C[C@@H](C)c1cccnc1	714565743	572860443	/nfs/dbraw/zinc/86/04/43/572860443.db2.gz	QKFIDCOZAQKAEC-HMDXOVGESA-N	0	0	161.248	3.151	10	0		AGAERN
CC(C)Cc1cc(N)oc1CC(C)C	257585530	572860478	/nfs/dbraw/zinc/86/04/78/572860478.db2.gz	NAJHOGKBMJQTNX-UHFFFAOYSA-N	0	0	195.306	3.259	10	0		AGAERN
Cc1ccc(-c2ccc(N)s2)s1	257584927	572860609	/nfs/dbraw/zinc/86/06/09/572860609.db2.gz	GBIYSHJEUQSFCM-UHFFFAOYSA-N	0	0	195.312	3.367	10	0		AGAERN
C/C=C/[C@@H](C)Cc1ccc(O)c(C)c1	714565440	572860654	/nfs/dbraw/zinc/86/06/54/572860654.db2.gz	CSWTZSCQXWHKQT-ORAHPGNNSA-N	0	0	190.286	3.455	10	0		AGAERN
Nc1ccoc1-c1cc2ccccc2o1	257585104	572860689	/nfs/dbraw/zinc/86/06/89/572860689.db2.gz	JONMXKDCGGJQMV-UHFFFAOYSA-N	0	0	199.209	3.275	10	0		AGAERN
CCC[C@@H](O)CC1(CC)CCC1	307963773	572860712	/nfs/dbraw/zinc/86/07/12/572860712.db2.gz	PCQXUODBUKYZRP-SNVBAGLBSA-N	0	0	170.296	3.118	10	0		AGAERN
CC(C)Cc1oc(N)cc1C(C)(C)C	257585523	572860762	/nfs/dbraw/zinc/86/07/62/572860762.db2.gz	MLCWQMVRAZWZHG-UHFFFAOYSA-N	0	0	195.306	3.358	10	0		AGAERN
C/C=C/[C@H](C)Cc1ccc(O)c(C)c1	714565443	572860829	/nfs/dbraw/zinc/86/08/29/572860829.db2.gz	CSWTZSCQXWHKQT-YEZKRMTDSA-N	0	0	190.286	3.455	10	0		AGAERN
CC/C=C/C[C@@H](O)/C=C\[Si](C)(C)C	308153956	572860989	/nfs/dbraw/zinc/86/09/89/572860989.db2.gz	LCBPKVIBGDXILG-CMJFVOJHSA-N	0	0	198.382	3.137	10	0		AGAERN
OC1C=CCCCCCCCC=C1	308148306	572861009	/nfs/dbraw/zinc/86/10/09/572861009.db2.gz	DYLJZEONYYZHLO-UHFFFAOYSA-N	0	0	180.291	3.204	10	0		AGAERN
CC/C=C\C[C@@H](O)/C=C\[Si](C)(C)C	308153958	572861106	/nfs/dbraw/zinc/86/11/06/572861106.db2.gz	LCBPKVIBGDXILG-UJHBYYOZSA-N	0	0	198.382	3.137	10	0		AGAERN
C/C=C/C[C@H](C)c1cccnc1	714565742	572861369	/nfs/dbraw/zinc/86/13/69/572861369.db2.gz	QKFIDCOZAQKAEC-FSIBCCDJSA-N	0	0	161.248	3.151	10	0		AGAERN
C=C/C(C)=C/CC(C)(C)C(C)=O	199217663	572861831	/nfs/dbraw/zinc/86/18/31/572861831.db2.gz	OXXPGRDRFDCLKV-VQHVLOKHSA-N	0	0	166.264	3.124	10	0		AGAERN
CCC[C@H](O)CC1(CC)CCC1	307963771	572861902	/nfs/dbraw/zinc/86/19/02/572861902.db2.gz	PCQXUODBUKYZRP-JTQLQIEISA-N	0	0	170.296	3.118	10	0		AGAERN
CCc1oc(N)cc1C1CCCC1	257589710	572862584	/nfs/dbraw/zinc/86/25/84/572862584.db2.gz	PTYFSKINGAWOCF-UHFFFAOYSA-N	0	0	179.263	3.082	10	0		AGAERN
Nc1cc(-c2ccc3[nH]ccc3c2)co1	257586167	572863801	/nfs/dbraw/zinc/86/38/01/572863801.db2.gz	SGZRBYTXYLXQJX-UHFFFAOYSA-N	0	0	198.225	3.010	10	0		AGAERN
CC(=O)/C=C1\CCC[C@H](C2CC2)C1	393617858	572864011	/nfs/dbraw/zinc/86/40/11/572864011.db2.gz	MUUSVDXUGSSZJY-PMDBQALLSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(=O)/C=C1\CCC[C@@H](C2CC2)C1	393617857	572864026	/nfs/dbraw/zinc/86/40/26/572864026.db2.gz	MUUSVDXUGSSZJY-OFFHKIPUSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@@H](C)OCc1cccc(Cl)n1	86114896	572864249	/nfs/dbraw/zinc/86/42/49/572864249.db2.gz	DMQMOIAXEZDURS-MRVPVSSYSA-N	0	0	199.681	3.050	10	0		AGAERN
C[C@@H]1C[C@@H](C)CC(O)(CCC2CC2)C1	235369620	572864977	/nfs/dbraw/zinc/86/49/77/572864977.db2.gz	XFVOJIXHZGVLDN-GHMZBOCLSA-N	0	0	196.334	3.364	10	0		AGAERN
CCCCOCc1cccc(Cl)n1	86114891	572865099	/nfs/dbraw/zinc/86/50/99/572865099.db2.gz	RYJMYDUSQAWTKI-UHFFFAOYSA-N	0	0	199.681	3.052	10	0		AGAERN
CC/C=C\[C@H](CC)C/C(C)=C\CO	308154489	572866021	/nfs/dbraw/zinc/86/60/21/572866021.db2.gz	LNKKVFIBFGJVOA-VQDUZJJRSA-N	0	0	182.307	3.308	10	0		AGAERN
CCC/C=C\[C@H](O)/C=C\CCCC	308154682	572866179	/nfs/dbraw/zinc/86/61/79/572866179.db2.gz	ONKOEGBTUACKQG-VFQKVKLSSA-N	0	0	182.307	3.450	10	0		AGAERN
CC(C)=C1[C@H]2C=C[C@@H]1C1=CCC=C12	71786487	572866499	/nfs/dbraw/zinc/86/64/99/572866499.db2.gz	OPGOTFPDPDNPJE-TXEJJXNPSA-N	0	0	170.255	3.395	10	0		AGAERN
CC/C=C/[C@H](CC)C/C(C)=C\CO	308154490	572866535	/nfs/dbraw/zinc/86/65/35/572866535.db2.gz	LNKKVFIBFGJVOA-WXZRDJRHSA-N	0	0	182.307	3.308	10	0		AGAERN
CC/C=C\[C@H](CC)C/C(C)=C/CO	308154488	572867182	/nfs/dbraw/zinc/86/71/82/572867182.db2.gz	LNKKVFIBFGJVOA-VJBTVXDUSA-N	0	0	182.307	3.308	10	0		AGAERN
CC(C)C[C@@H](O)[C@H](C)C(C)(C)C	307967598	572867287	/nfs/dbraw/zinc/86/72/87/572867287.db2.gz	SVVBKOXCEIQIAZ-VHSXEESVSA-N	0	0	172.312	3.076	10	0		AGAERN
CC(C)SCc1ccccc1O	75576124	572869753	/nfs/dbraw/zinc/86/97/53/572869753.db2.gz	HTDWJVXLSCWEIS-UHFFFAOYSA-N	0	0	182.288	3.034	10	0		AGAERN
CC(C)C[C@@H](C)[C@H](O)CC(C)(C)C	308157048	572869258	/nfs/dbraw/zinc/86/92/58/572869258.db2.gz	URSOTWUBVVAMNN-GHMZBOCLSA-N	0	0	186.339	3.466	10	0		AGAERN
CCCC1([C@H](O)CCC2CC2)CC1	308157158	572870298	/nfs/dbraw/zinc/87/02/98/572870298.db2.gz	UUDCSVCVDXKROT-LLVKDONJSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(C)C[C@@H](C)[C@@H](O)CC(C)(C)C	308157050	572870491	/nfs/dbraw/zinc/87/04/91/572870491.db2.gz	URSOTWUBVVAMNN-MNOVXSKESA-N	0	0	186.339	3.466	10	0		AGAERN
CC(C)C[C@H](C)[C@H](O)CC(C)(C)C	308157054	572870624	/nfs/dbraw/zinc/87/06/24/572870624.db2.gz	URSOTWUBVVAMNN-WDEREUQCSA-N	0	0	186.339	3.466	10	0		AGAERN
C/C(Cl)=C\Cc1ccccc1O	75576161	572871124	/nfs/dbraw/zinc/87/11/24/572871124.db2.gz	OICVNHHMXOVURB-SOFGYWHQSA-N	0	0	182.650	3.077	10	0		AGAERN
C/C(Cl)=C\Cc1ccc(O)cc1	75576160	572871241	/nfs/dbraw/zinc/87/12/41/572871241.db2.gz	ONCZGVHNHPCMSU-KRXBUXKQSA-N	0	0	182.650	3.077	10	0		AGAERN
CC(C)C[C@H](C)[C@@H](O)CC(C)(C)C	308157052	572871457	/nfs/dbraw/zinc/87/14/57/572871457.db2.gz	URSOTWUBVVAMNN-QWRGUYRKSA-N	0	0	186.339	3.466	10	0		AGAERN
C[C@@H]1C=CO[C@H](c2ccccc2O)C1	75579721	572872617	/nfs/dbraw/zinc/87/26/17/572872617.db2.gz	DIARIKXAPBLVRU-SKDRFNHKSA-N	0	0	190.242	3.003	10	0		AGAERN
C[C@H]1C=CO[C@@H](c2ccccc2O)C1	75579717	572872937	/nfs/dbraw/zinc/87/29/37/572872937.db2.gz	DIARIKXAPBLVRU-JOYOIKCWSA-N	0	0	190.242	3.003	10	0		AGAERN
C[C@@H]1C=CO[C@@H](c2ccccc2O)C1	75579718	572873034	/nfs/dbraw/zinc/87/30/34/572873034.db2.gz	DIARIKXAPBLVRU-BXKDBHETSA-N	0	0	190.242	3.003	10	0		AGAERN
CC/C(=C\Sc1ccccc1)CO	308161389	572873211	/nfs/dbraw/zinc/87/32/11/572873211.db2.gz	LYZDHMFUBZEZSD-MDZDMXLPSA-N	0	0	194.299	3.065	10	0		AGAERN
CCOC(=O)/C(CC)=C1\CCC1(C)C	714363656	572873401	/nfs/dbraw/zinc/87/34/01/572873401.db2.gz	AATHALJDEBNXIJ-MDZDMXLPSA-N	0	0	196.290	3.076	10	0		AGAERN
CSc1scc(C=O)c1C1CC1	75526623	572873710	/nfs/dbraw/zinc/87/37/10/572873710.db2.gz	YZKXZADMJBSBPC-UHFFFAOYSA-N	0	0	198.312	3.160	10	0		AGAERN
Cc1ccc(-c2cocc2C=O)cc1	75525476	572874028	/nfs/dbraw/zinc/87/40/28/572874028.db2.gz	CUKAOEWZNVCUQK-UHFFFAOYSA-N	0	0	186.210	3.068	10	0		AGAERN
CC(C)Oc1ccc(C(C)C)cc1O	36201692	572874260	/nfs/dbraw/zinc/87/42/60/572874260.db2.gz	UTGPZVNDCKGRAY-UHFFFAOYSA-N	0	0	194.274	3.303	10	0		AGAERN
CCC[C@H](C)/C=C(/CC)C(=O)OCC	714364561	572874332	/nfs/dbraw/zinc/87/43/32/572874332.db2.gz	BBNUHCUFKSCUHM-RGAIUGGKSA-N	0	0	198.306	3.322	10	0		AGAERN
C/C(=C/C1CCCC1)C[C@@H](C)CO	308161887	572874514	/nfs/dbraw/zinc/87/45/14/572874514.db2.gz	MUADATIOFHMORR-HIJJYWJESA-N	0	0	182.307	3.141	10	0		AGAERN
CCCCC[C@H](O)[C@]1(C)C[C@H]1CC	308161409	572874560	/nfs/dbraw/zinc/87/45/60/572874560.db2.gz	MEWJKOMVNYAGNP-GRYCIOLGSA-N	0	0	184.323	3.364	10	0		AGAERN
O[C@H]1CCCCC[C@@H]1CCCCF	308161226	572874770	/nfs/dbraw/zinc/87/47/70/572874770.db2.gz	WUBOMSXZXNKUHI-MNOVXSKESA-N	0	0	188.286	3.067	10	0		AGAERN
CCC[C@@H](C)/C=C(\CC)C(=O)OCC	714364556	572874832	/nfs/dbraw/zinc/87/48/32/572874832.db2.gz	BBNUHCUFKSCUHM-OYVNLZQHSA-N	0	0	198.306	3.322	10	0		AGAERN
Cc1cccc(-c2cocc2C=O)c1	75525489	572875089	/nfs/dbraw/zinc/87/50/89/572875089.db2.gz	SMWIEZXMTNYMGC-UHFFFAOYSA-N	0	0	186.210	3.068	10	0		AGAERN
CC(C)=C(C)CCC1(O)CCCC1	118678996	572875096	/nfs/dbraw/zinc/87/50/96/572875096.db2.gz	RUWCSENHRHVDDG-UHFFFAOYSA-N	0	0	182.307	3.428	10	0		AGAERN
Cc1ccccc1-c1cocc1C=O	75525483	572875109	/nfs/dbraw/zinc/87/51/09/572875109.db2.gz	FXPDXVFMXNPHNG-UHFFFAOYSA-N	0	0	186.210	3.068	10	0		AGAERN
CCCCC[C@H](O)[C@@]1(C)C[C@H]1CC	308161410	572875294	/nfs/dbraw/zinc/87/52/94/572875294.db2.gz	MEWJKOMVNYAGNP-WOPDTQHZSA-N	0	0	184.323	3.364	10	0		AGAERN
C/C(=C/C1CCCC1)C[C@H](C)CO	308161888	572875380	/nfs/dbraw/zinc/87/53/80/572875380.db2.gz	MUADATIOFHMORR-IEHMKBBKSA-N	0	0	182.307	3.141	10	0		AGAERN
CCc1[nH]ccc1-c1ccccc1	196566888	572875441	/nfs/dbraw/zinc/87/54/41/572875441.db2.gz	PRNQIAXNTZKBFQ-UHFFFAOYSA-N	0	0	171.243	3.244	10	0		AGAERN
OCC[C@@H]1CC=CCCCCCC1	308161878	572875673	/nfs/dbraw/zinc/87/56/73/572875673.db2.gz	MRPKLAYJXFQJEQ-GFCCVEGCSA-N	0	0	182.307	3.286	10	0		AGAERN
CCC[C@H](C)/C=C(\CC)C(=O)OCC	714364562	572875730	/nfs/dbraw/zinc/87/57/30/572875730.db2.gz	BBNUHCUFKSCUHM-SPQRFVMMSA-N	0	0	198.306	3.322	10	0		AGAERN
CC(C)/C=C(/C=C\[C@H](C)O)C(C)C	308161870	572875705	/nfs/dbraw/zinc/87/57/05/572875705.db2.gz	MQJZRTSPXURGGU-YCUZCSSNSA-N	0	0	182.307	3.162	10	0		AGAERN
O=Cc1cocc1C1CCCCC1	75525411	572875707	/nfs/dbraw/zinc/87/57/07/572875707.db2.gz	JQVNKYOKHYWCKD-UHFFFAOYSA-N	0	0	178.231	3.140	10	0		AGAERN
CCCC[C@H]1CC[C@H](CCO)CC1	308161842	572875764	/nfs/dbraw/zinc/87/57/64/572875764.db2.gz	MLRIQUQGNCNMQB-HAQNSBGRSA-N	0	0	184.323	3.365	10	0		AGAERN
O=Cc1cscc1C1CCCC1	75525126	572875935	/nfs/dbraw/zinc/87/59/35/572875935.db2.gz	FBBRXKJBIHOTCB-UHFFFAOYSA-N	0	0	180.272	3.218	10	0		AGAERN
C[C@H](O)[C@@H](C)C/C=C\CC(C)(C)C	308161952	572876651	/nfs/dbraw/zinc/87/66/51/572876651.db2.gz	NBWSMOYUQDDKAG-TWHAFNCTSA-N	0	0	184.323	3.386	10	0		AGAERN
CC(C)C[C@H](C)[C@@H](O)[C@H](C)C1CC1	308162200	572876655	/nfs/dbraw/zinc/87/66/55/572876655.db2.gz	XKLQTDCEPGHFCC-HOSYDEDBSA-N	0	0	184.323	3.076	10	0		AGAERN
Nc1cccc(SCCCCF)c1	308157594	572876684	/nfs/dbraw/zinc/87/66/84/572876684.db2.gz	UXTDIRYFZSYYOK-UHFFFAOYSA-N	0	0	199.294	3.111	10	0		AGAERN
CCC[C@@H](C)/C=C(/CC)C(=O)OCC	714364558	572876849	/nfs/dbraw/zinc/87/68/49/572876849.db2.gz	BBNUHCUFKSCUHM-QLWWJYNRSA-N	0	0	198.306	3.322	10	0		AGAERN
C[C@H](O)[C@@H](C)C/C=C/CC(C)(C)C	308161950	572877108	/nfs/dbraw/zinc/87/71/08/572877108.db2.gz	NBWSMOYUQDDKAG-JYLGIWJRSA-N	0	0	184.323	3.386	10	0		AGAERN
CCCC[C@@H](CC)[C@@H](O)C(C)C	86182927	572877177	/nfs/dbraw/zinc/87/71/77/572877177.db2.gz	ZRTFQKYQABUPFJ-MNOVXSKESA-N	0	0	172.312	3.220	10	0		AGAERN
CC(C)C[C@@H](O)C1=CCCCCC1	50329401	572877192	/nfs/dbraw/zinc/87/71/92/572877192.db2.gz	IDXPBUXPXMJSTR-GFCCVEGCSA-N	0	0	182.307	3.284	10	0		AGAERN
O=C1CCCCC[C@H]1CCCCF	308157663	572877216	/nfs/dbraw/zinc/87/72/16/572877216.db2.gz	VAHBRAHPYSHSHP-JTQLQIEISA-N	0	0	186.270	3.276	10	0		AGAERN
CCC/C=C/C=C(/C=C\CO)CC	308162362	572877335	/nfs/dbraw/zinc/87/73/35/572877335.db2.gz	NIYBATQFUJSLDW-ZRXSXWBSSA-N	0	0	180.291	3.228	10	0		AGAERN
CC(C)(C)[C@@H](O)C1=CCCCCC1	50329427	572877342	/nfs/dbraw/zinc/87/73/42/572877342.db2.gz	GPJOGBBMQSLPEF-NSHDSACASA-N	0	0	182.307	3.284	10	0		AGAERN
CCCCC/C=C\C[C@@H](O)CC	307977989	572887924	/nfs/dbraw/zinc/88/79/24/572887924.db2.gz	KGABEDPEKKTFDS-IQQGHNRFSA-N	0	0	170.296	3.284	10	0		AGAERN
CC[C@H](c1ccccc1)[C@H](O)C(C)C	86183083	572878555	/nfs/dbraw/zinc/87/85/55/572878555.db2.gz	IRCDZTGXHCSULI-CHWSQXEVSA-N	0	0	192.302	3.197	10	0		AGAERN
CC[C@H](C)C[C@H](CC)[C@H](O)C(C)C	86183265	572877710	/nfs/dbraw/zinc/87/77/10/572877710.db2.gz	CJDPFDRTGGHPRK-SDDRHHMPSA-N	0	0	186.339	3.466	10	0		AGAERN
CC[C@@H](c1ccccc1)[C@H](O)C(C)C	86183079	572877721	/nfs/dbraw/zinc/87/77/21/572877721.db2.gz	IRCDZTGXHCSULI-QWHCGFSZSA-N	0	0	192.302	3.197	10	0		AGAERN
O[C@H](C1=CCCCCC1)C1CCCC1	50329637	572877770	/nfs/dbraw/zinc/87/77/70/572877770.db2.gz	ZAXJHVSYILWPQF-CYBMUJFWSA-N	0	0	194.318	3.428	10	0		AGAERN
CC[C@H](C)[C@H](O)C1=CCCCCC1	50329551	572877802	/nfs/dbraw/zinc/87/78/02/572877802.db2.gz	DFSISLPJBUJEAH-JQWIXIFHSA-N	0	0	182.307	3.284	10	0		AGAERN
CC[C@H](C)[C@@H](O)C1=CCCCCC1	50329553	572877848	/nfs/dbraw/zinc/87/78/48/572877848.db2.gz	DFSISLPJBUJEAH-CMPLNLGQSA-N	0	0	182.307	3.284	10	0		AGAERN
O[C@H](C1=CCCC1)C1CCCCC1	50329234	572877884	/nfs/dbraw/zinc/87/78/84/572877884.db2.gz	XBBXTBRVQRGVSS-LBPRGKRZSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(C)CC[C@H](C)[C@H](O)C(C)C	86183451	572877928	/nfs/dbraw/zinc/87/79/28/572877928.db2.gz	XPTLVFUBLLCKCX-WDEREUQCSA-N	0	0	172.312	3.076	10	0		AGAERN
O[C@H](CC1CCCC1)C1=CCCCC1	50328911	572877986	/nfs/dbraw/zinc/87/79/86/572877986.db2.gz	RSFKOFHIEOAVCA-CYBMUJFWSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)C[C@H](C)[C@H](O)[C@@H](C)C1CC1	308162202	572878050	/nfs/dbraw/zinc/87/80/50/572878050.db2.gz	XKLQTDCEPGHFCC-NHCYSSNCSA-N	0	0	184.323	3.076	10	0		AGAERN
CC(C)C[C@H](C)[C@@H](O)[C@@H](C)C1CC1	308162201	572878079	/nfs/dbraw/zinc/87/80/79/572878079.db2.gz	XKLQTDCEPGHFCC-JBLDHEPKSA-N	0	0	184.323	3.076	10	0		AGAERN
O[C@H](C1=CCCCC1)c1cccs1	50328863	572878097	/nfs/dbraw/zinc/87/80/97/572878097.db2.gz	OYQIASVKOBTJEN-LLVKDONJSA-N	0	0	194.299	3.282	10	0		AGAERN
CC(C)C[C@H](C)[C@H](O)[C@H](C)C1CC1	308162204	572878635	/nfs/dbraw/zinc/87/86/35/572878635.db2.gz	XKLQTDCEPGHFCC-UMNHJUIQSA-N	0	0	184.323	3.076	10	0		AGAERN
Cc1ccc([C@H](O)C2=CCCC2)cc1	50329338	572878671	/nfs/dbraw/zinc/87/86/71/572878671.db2.gz	XNKMYGQBJCOPBO-CYBMUJFWSA-N	0	0	188.270	3.139	10	0		AGAERN
CC[C@@H](C)c1ccc(C(=N)OC)cc1	77276378	572878676	/nfs/dbraw/zinc/87/86/76/572878676.db2.gz	OPWAGIFGVROPOA-SECBINFHSA-N	0	0	191.274	3.172	10	0		AGAERN
CC(C)(Cl)[C@H]1Cc2ccccc2N1	196574359	572878682	/nfs/dbraw/zinc/87/86/82/572878682.db2.gz	WCWCKCCRXXMMKF-SNVBAGLBSA-N	0	0	195.693	3.041	10	0		AGAERN
CC(C)CC[C@H](C)[C@@H](O)C(C)C	86183459	572878685	/nfs/dbraw/zinc/87/86/85/572878685.db2.gz	XPTLVFUBLLCKCX-QWRGUYRKSA-N	0	0	172.312	3.076	10	0		AGAERN
Cc1ccc([C@@H](O)C2=CCCCC2)o1	50328886	572878708	/nfs/dbraw/zinc/87/87/08/572878708.db2.gz	CVJJSHTZETUJOT-LBPRGKRZSA-N	0	0	192.258	3.122	10	0		AGAERN
O[C@@H](C1=CCCCCC1)c1ccoc1	50329507	572878883	/nfs/dbraw/zinc/87/88/83/572878883.db2.gz	DFJYZOSKJJDWJI-LBPRGKRZSA-N	0	0	192.258	3.204	10	0		AGAERN
CC[C@@H](C)[C@@H](O)C1=CCCCCC1	50329552	572878782	/nfs/dbraw/zinc/87/87/82/572878782.db2.gz	DFSISLPJBUJEAH-ZYHUDNBSSA-N	0	0	182.307	3.284	10	0		AGAERN
CCC(CC)[C@H](O)C1=CCCCC1	50329007	572879637	/nfs/dbraw/zinc/87/96/37/572879637.db2.gz	DLPJFGHRKJFFLV-LBPRGKRZSA-N	0	0	182.307	3.284	10	0		AGAERN
Cc1ccc(OCCCF)cc1C	308157595	572879119	/nfs/dbraw/zinc/87/91/19/572879119.db2.gz	UXUCKVRYDDSKSX-UHFFFAOYSA-N	0	0	182.238	3.042	10	0		AGAERN
CC(C)C[C@H](O)C1=CCCCCC1	50329400	572879210	/nfs/dbraw/zinc/87/92/10/572879210.db2.gz	IDXPBUXPXMJSTR-LBPRGKRZSA-N	0	0	182.307	3.284	10	0		AGAERN
CC[C@H](C)C[C@@H](CC)[C@H](O)C(C)C	86183260	572879195	/nfs/dbraw/zinc/87/91/95/572879195.db2.gz	CJDPFDRTGGHPRK-QJPTWQEYSA-N	0	0	186.339	3.466	10	0		AGAERN
CCCC(CCC)[C@@H](O)C(C)C	86183307	572879286	/nfs/dbraw/zinc/87/92/86/572879286.db2.gz	ZACLNWGCPHPLFD-NSHDSACASA-N	0	0	172.312	3.220	10	0		AGAERN
O[C@@H](CC1CC1)C1=CCCCCC1	50329423	572879343	/nfs/dbraw/zinc/87/93/43/572879343.db2.gz	KZKGJAAGFLBSOR-LBPRGKRZSA-N	0	0	180.291	3.038	10	0		AGAERN
Cc1ccoc1[C@H](O)C1=CCCCC1	50328873	572879353	/nfs/dbraw/zinc/87/93/53/572879353.db2.gz	UOWHDGXPYYCWLW-LLVKDONJSA-N	0	0	192.258	3.122	10	0		AGAERN
O[C@H](CC1CC1)C1=CCCCCC1	50329422	572879396	/nfs/dbraw/zinc/87/93/96/572879396.db2.gz	KZKGJAAGFLBSOR-GFCCVEGCSA-N	0	0	180.291	3.038	10	0		AGAERN
CCCC[C@H](CC)[C@H](O)C(C)C	86182925	572879442	/nfs/dbraw/zinc/87/94/42/572879442.db2.gz	ZRTFQKYQABUPFJ-WDEREUQCSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@H](c1ccccc1)[C@@H](O)C(C)C	86183087	572879609	/nfs/dbraw/zinc/87/96/09/572879609.db2.gz	IRCDZTGXHCSULI-OLZOCXBDSA-N	0	0	192.302	3.197	10	0		AGAERN
CC(C)(C)[C@H](O)C1=CCCCCC1	50329426	572879769	/nfs/dbraw/zinc/87/97/69/572879769.db2.gz	GPJOGBBMQSLPEF-LLVKDONJSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)CC[C@@H](C)[C@H](O)C(C)C	86183448	572880116	/nfs/dbraw/zinc/88/01/16/572880116.db2.gz	XPTLVFUBLLCKCX-GHMZBOCLSA-N	0	0	172.312	3.076	10	0		AGAERN
CCCC[C@H](CC)[C@@H](O)C(C)C	86182932	572880161	/nfs/dbraw/zinc/88/01/61/572880161.db2.gz	ZRTFQKYQABUPFJ-QWRGUYRKSA-N	0	0	172.312	3.220	10	0		AGAERN
CC(C)(Cl)[C@@H]1Cc2ccccc2N1	196574350	572880172	/nfs/dbraw/zinc/88/01/72/572880172.db2.gz	WCWCKCCRXXMMKF-JTQLQIEISA-N	0	0	195.693	3.041	10	0		AGAERN
CCCCc1nc(C(C)C)sc1N	50308960	572880254	/nfs/dbraw/zinc/88/02/54/572880254.db2.gz	SPGMOXTWINCOKJ-UHFFFAOYSA-N	0	0	198.335	3.191	10	0		AGAERN
O[C@H](C1=CCCCCC1)c1ccco1	50329508	572880326	/nfs/dbraw/zinc/88/03/26/572880326.db2.gz	XZTHBONRDNOXPZ-GFCCVEGCSA-N	0	0	192.258	3.204	10	0		AGAERN
CCCC(CCC)[C@H](O)C(C)C	86183304	572880396	/nfs/dbraw/zinc/88/03/96/572880396.db2.gz	ZACLNWGCPHPLFD-LLVKDONJSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@@H](C)[C@H](O)C1=CCCCCC1	50329550	572880461	/nfs/dbraw/zinc/88/04/61/572880461.db2.gz	DFSISLPJBUJEAH-PWSUYJOCSA-N	0	0	182.307	3.284	10	0		AGAERN
CCCC[C@H](CC)C(=O)C(C)C	86167113	572880870	/nfs/dbraw/zinc/88/08/70/572880870.db2.gz	YRENCGZVPLYVNK-JTQLQIEISA-N	0	0	170.296	3.428	10	0		AGAERN
CC[C@H](O)[C@H](CC)c1ccc(F)cc1	86166846	572880991	/nfs/dbraw/zinc/88/09/91/572880991.db2.gz	MQMHOIODWUMEIF-NEPJUHHUSA-N	0	0	196.265	3.090	10	0		AGAERN
CC(C)CC[C@@H](C)C(=O)C(C)C	86166973	572881010	/nfs/dbraw/zinc/88/10/10/572881010.db2.gz	CTCGHMRAAAQPGB-SNVBAGLBSA-N	0	0	170.296	3.284	10	0		AGAERN
CC[C@H](C)C[C@H](CC)[C@H](O)CC	86166651	572881023	/nfs/dbraw/zinc/88/10/23/572881023.db2.gz	VOALWEFRNRFOJB-GARJFASQSA-N	0	0	172.312	3.220	10	0		AGAERN
CC1=C[C@H](C)C[C@@H]([C@@H](O)C2CCC2)C1	235387412	572881141	/nfs/dbraw/zinc/88/11/41/572881141.db2.gz	BSQRPOPFBIQXAQ-BIMULSAOSA-N	0	0	194.318	3.140	10	0		AGAERN
CCC[C@@H](c1ccccc1)[C@@H](O)CC	86166831	572881274	/nfs/dbraw/zinc/88/12/74/572881274.db2.gz	MYYNBUGDNBGRJJ-STQMWFEESA-N	0	0	192.302	3.341	10	0		AGAERN
Nc1cccc2c1-c1ccccc1CC2	75598183	572881469	/nfs/dbraw/zinc/88/14/69/572881469.db2.gz	AKDCXPBWWNNSSD-UHFFFAOYSA-N	0	0	195.265	3.034	10	0		AGAERN
CCC[C@H](c1ccccc1)[C@@H](O)CC	86166832	572881524	/nfs/dbraw/zinc/88/15/24/572881524.db2.gz	MYYNBUGDNBGRJJ-OLZOCXBDSA-N	0	0	192.302	3.341	10	0		AGAERN
CC[C@@H](O)[C@@H](c1ccccc1)C(C)C	86166247	572881641	/nfs/dbraw/zinc/88/16/41/572881641.db2.gz	HGWDXGJQDLMYAH-CHWSQXEVSA-N	0	0	192.302	3.197	10	0		AGAERN
CCC[C@H](c1ccccc1)[C@H](O)CC	86166829	572881863	/nfs/dbraw/zinc/88/18/63/572881863.db2.gz	MYYNBUGDNBGRJJ-CHWSQXEVSA-N	0	0	192.302	3.341	10	0		AGAERN
C/C(=C/Cl)C[NH2+][C@@H](C)c1ccco1	308158798	572881927	/nfs/dbraw/zinc/88/19/27/572881927.db2.gz	VJKKEXRSYJDJJQ-XZLDQRQTSA-N	0	0	199.681	3.073	10	0		AGAERN
CCC(=O)[C@H](CC)C[C@H](C)CC	86161729	572881974	/nfs/dbraw/zinc/88/19/74/572881974.db2.gz	YBWFZUCAXJYUKP-NXEZZACHSA-N	0	0	170.296	3.428	10	0		AGAERN
CCCC1([C@H](O)C[C@@H](C)CC)CC1	308160695	572883202	/nfs/dbraw/zinc/88/32/02/572883202.db2.gz	WPWNVMJRRZKBJS-WDEREUQCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)C[C@@H](CC)[C@H](O)CC	86166649	572882031	/nfs/dbraw/zinc/88/20/31/572882031.db2.gz	VOALWEFRNRFOJB-HBNTYKKESA-N	0	0	172.312	3.220	10	0		AGAERN
CCC(=O)[C@@H](CC)C[C@H](C)CC	86161731	572882084	/nfs/dbraw/zinc/88/20/84/572882084.db2.gz	YBWFZUCAXJYUKP-ZJUUUORDSA-N	0	0	170.296	3.428	10	0		AGAERN
CCc1ccc([C@@H](C)[C@@H](O)CC)cc1	86166440	572882172	/nfs/dbraw/zinc/88/21/72/572882172.db2.gz	QXHYDVZQPHMSDW-MFKMUULPSA-N	0	0	192.302	3.123	10	0		AGAERN
CC[C@@H](c1ccc(F)cc1)[C@H](O)CC	86166842	572882372	/nfs/dbraw/zinc/88/23/72/572882372.db2.gz	MQMHOIODWUMEIF-NWDGAFQWSA-N	0	0	196.265	3.090	10	0		AGAERN
CC[C@H](O)[C@@H](C)CCc1ccccc1	86166732	572882387	/nfs/dbraw/zinc/88/23/87/572882387.db2.gz	ROAVZJFAORPJFK-AAEUAGOBSA-N	0	0	192.302	3.026	10	0		AGAERN
CCC(=O)[C@H](CC)c1ccc(F)cc1	86161681	572882413	/nfs/dbraw/zinc/88/24/13/572882413.db2.gz	NLAJKJMFLRORGA-LLVKDONJSA-N	0	0	194.249	3.298	10	0		AGAERN
CCC(=O)[C@H](c1ccccc1)C1CC1	86161586	572882435	/nfs/dbraw/zinc/88/24/35/572882435.db2.gz	YBSSVNVEQUXGFZ-CYBMUJFWSA-N	0	0	188.270	3.159	10	0		AGAERN
C/C=C\CC(C)(C/C=C/C)[C@H](C)O	308165034	572882479	/nfs/dbraw/zinc/88/24/79/572882479.db2.gz	QALCWFKSKCBAJD-ZHTFKUSQSA-N	0	0	182.307	3.306	10	0		AGAERN
CC[C@@H](O)[C@H](CC)c1ccc(F)cc1	86166843	572882520	/nfs/dbraw/zinc/88/25/20/572882520.db2.gz	MQMHOIODWUMEIF-VXGBXAGGSA-N	0	0	196.265	3.090	10	0		AGAERN
CCC(=O)[C@H](C)c1ccc(CC)cc1	86161716	572882547	/nfs/dbraw/zinc/88/25/47/572882547.db2.gz	IWGZINBBHDNIDG-SNVBAGLBSA-N	0	0	190.286	3.332	10	0		AGAERN
CCC[C@@H](c1ccccc1)[C@H](O)CC	86166828	572882562	/nfs/dbraw/zinc/88/25/62/572882562.db2.gz	MYYNBUGDNBGRJJ-QWHCGFSZSA-N	0	0	192.302	3.341	10	0		AGAERN
CCC(=O)[C@@H](C)c1ccc(CC)cc1	86161717	572882585	/nfs/dbraw/zinc/88/25/85/572882585.db2.gz	IWGZINBBHDNIDG-JTQLQIEISA-N	0	0	190.286	3.332	10	0		AGAERN
CCc1ccc([C@H](C)[C@H](O)CC)cc1	86166438	572882597	/nfs/dbraw/zinc/88/25/97/572882597.db2.gz	QXHYDVZQPHMSDW-GXFFZTMASA-N	0	0	192.302	3.123	10	0		AGAERN
CC[C@H](O)[C@@H](c1ccccc1)C(C)C	86166245	572882604	/nfs/dbraw/zinc/88/26/04/572882604.db2.gz	HGWDXGJQDLMYAH-QWHCGFSZSA-N	0	0	192.302	3.197	10	0		AGAERN
CCc1ccc([C@@H](C)[C@H](O)CC)cc1	86166435	572882658	/nfs/dbraw/zinc/88/26/58/572882658.db2.gz	QXHYDVZQPHMSDW-ZWNOBZJWSA-N	0	0	192.302	3.123	10	0		AGAERN
CC[C@@H](O)[C@H](CC)c1ccc(C)cc1	86166621	572882664	/nfs/dbraw/zinc/88/26/64/572882664.db2.gz	ANDSWDUORNNFNB-CHWSQXEVSA-N	0	0	192.302	3.260	10	0		AGAERN
CC[C@H](O)[C@@H](CC)c1ccc(F)cc1	86166845	572882807	/nfs/dbraw/zinc/88/28/07/572882807.db2.gz	MQMHOIODWUMEIF-RYUDHWBXSA-N	0	0	196.265	3.090	10	0		AGAERN
CC[C@H](O)[C@@H](CC)c1ccc(C)cc1	86166623	572882912	/nfs/dbraw/zinc/88/29/12/572882912.db2.gz	ANDSWDUORNNFNB-STQMWFEESA-N	0	0	192.302	3.260	10	0		AGAERN
CC[C@@H](O)[C@H](c1ccccc1)C(C)C	86166250	572882937	/nfs/dbraw/zinc/88/29/37/572882937.db2.gz	HGWDXGJQDLMYAH-OLZOCXBDSA-N	0	0	192.302	3.197	10	0		AGAERN
CCc1ccc([C@H](C)[C@@H](O)CC)cc1	86166442	572883022	/nfs/dbraw/zinc/88/30/22/572883022.db2.gz	QXHYDVZQPHMSDW-GWCFXTLKSA-N	0	0	192.302	3.123	10	0		AGAERN
O=C(CCCCCF)C1CCCC1	308165137	572883048	/nfs/dbraw/zinc/88/30/48/572883048.db2.gz	YYYLKFKJFPNDDQ-UHFFFAOYSA-N	0	0	186.270	3.276	10	0		AGAERN
CC[C@H](O)[C@H](C)CCc1ccccc1	86166735	572883056	/nfs/dbraw/zinc/88/30/56/572883056.db2.gz	ROAVZJFAORPJFK-YPMHNXCESA-N	0	0	192.302	3.026	10	0		AGAERN
CCCC1([C@H](O)C[C@H](C)CC)CC1	308160689	572883193	/nfs/dbraw/zinc/88/31/93/572883193.db2.gz	WPWNVMJRRZKBJS-GHMZBOCLSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H](c1ccc(C)cc1)[C@H](O)CC	86166619	572883279	/nfs/dbraw/zinc/88/32/79/572883279.db2.gz	ANDSWDUORNNFNB-QWHCGFSZSA-N	0	0	192.302	3.260	10	0		AGAERN
CCCC(CCC)C(=O)CC	86161568	572883305	/nfs/dbraw/zinc/88/33/05/572883305.db2.gz	ASRCWEXFOAWADB-UHFFFAOYSA-N	0	0	156.269	3.182	10	0		AGAERN
CCC(=O)[C@@H](c1ccccc1)C1CC1	86161585	572883327	/nfs/dbraw/zinc/88/33/27/572883327.db2.gz	YBSSVNVEQUXGFZ-ZDUSSCGKSA-N	0	0	188.270	3.159	10	0		AGAERN
CC[C@H](O)[C@H](CC)c1ccc(C)cc1	86166625	572883332	/nfs/dbraw/zinc/88/33/32/572883332.db2.gz	ANDSWDUORNNFNB-OLZOCXBDSA-N	0	0	192.302	3.260	10	0		AGAERN
CCC(=O)[C@H](CC)C[C@@H](C)CC	86161730	572883412	/nfs/dbraw/zinc/88/34/12/572883412.db2.gz	YBWFZUCAXJYUKP-VHSXEESVSA-N	0	0	170.296	3.428	10	0		AGAERN
CC[C@H](O)[C@H](c1ccccc1)C(C)C	86166248	572883425	/nfs/dbraw/zinc/88/34/25/572883425.db2.gz	HGWDXGJQDLMYAH-STQMWFEESA-N	0	0	192.302	3.197	10	0		AGAERN
CC(C)CC[C@H](C)C(=O)C(C)C	86166975	572883461	/nfs/dbraw/zinc/88/34/61/572883461.db2.gz	CTCGHMRAAAQPGB-JTQLQIEISA-N	0	0	170.296	3.284	10	0		AGAERN
COc1cc(/C=C(\C)Cl)ccc1O	75600971	572883530	/nfs/dbraw/zinc/88/35/30/572883530.db2.gz	GFRPSUIOIGHRRS-FNORWQNLSA-N	0	0	198.649	3.000	10	0		AGAERN
CC[C@@H](O)[C@H](C)CCc1ccccc1	86166736	572883566	/nfs/dbraw/zinc/88/35/66/572883566.db2.gz	ROAVZJFAORPJFK-DGCLKSJQSA-N	0	0	192.302	3.026	10	0		AGAERN
CC[C@@H](O)[C@@H](C)CCc1ccccc1	86166733	572883621	/nfs/dbraw/zinc/88/36/21/572883621.db2.gz	ROAVZJFAORPJFK-WCQYABFASA-N	0	0	192.302	3.026	10	0		AGAERN
CCC(=O)[C@@H](CC)C[C@@H](C)CC	86161732	572883729	/nfs/dbraw/zinc/88/37/29/572883729.db2.gz	YBWFZUCAXJYUKP-UWVGGRQHSA-N	0	0	170.296	3.428	10	0		AGAERN
CCCC(CCC)C(=O)C(C)C	86167026	572883735	/nfs/dbraw/zinc/88/37/35/572883735.db2.gz	CHDRTUMRSLJXOC-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
CCC(=O)[C@@H](CC)c1ccc(F)cc1	86161680	572883765	/nfs/dbraw/zinc/88/37/65/572883765.db2.gz	NLAJKJMFLRORGA-NSHDSACASA-N	0	0	194.249	3.298	10	0		AGAERN
CCCC1([C@@H](O)C[C@H](C)CC)CC1	308160691	572883767	/nfs/dbraw/zinc/88/37/67/572883767.db2.gz	WPWNVMJRRZKBJS-MNOVXSKESA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(=O)[C@H](c1ccccc1)C(C)C	86161550	572883775	/nfs/dbraw/zinc/88/37/75/572883775.db2.gz	XSYDMAUZOAXQOE-ZDUSSCGKSA-N	0	0	190.286	3.405	10	0		AGAERN
CCC(=O)[C@@H](c1ccccc1)C(C)C	86161549	572883794	/nfs/dbraw/zinc/88/37/94/572883794.db2.gz	XSYDMAUZOAXQOE-CYBMUJFWSA-N	0	0	190.286	3.405	10	0		AGAERN
C/C=C\CC(C)(C/C=C\C)[C@H](C)O	308165032	572883847	/nfs/dbraw/zinc/88/38/47/572883847.db2.gz	QALCWFKSKCBAJD-VPHPRWEESA-N	0	0	182.307	3.306	10	0		AGAERN
CC[C@H](CCSC(C)C)C(C)=O	307968742	572883904	/nfs/dbraw/zinc/88/39/04/572883904.db2.gz	VLCJKGPBLVKHEN-SNVBAGLBSA-N	0	0	188.336	3.133	10	0		AGAERN
CCCC1([C@@H](O)C[C@@H](C)CC)CC1	308160693	572883966	/nfs/dbraw/zinc/88/39/66/572883966.db2.gz	WPWNVMJRRZKBJS-QWRGUYRKSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@H](O)Cc1csc(C)c1	308165391	572884023	/nfs/dbraw/zinc/88/40/23/572884023.db2.gz	ZBPTYEDZXRMMTJ-NSHDSACASA-N	0	0	198.331	3.150	10	0		AGAERN
CC/C=C(\C=C/[C@H](C)O)C(C)(C)C	308165675	572884027	/nfs/dbraw/zinc/88/40/27/572884027.db2.gz	QWRBPLBMXVJSIB-UWQHKYJCSA-N	0	0	182.307	3.306	10	0		AGAERN
CCCC[C@@H](O)Cc1csc(C)c1	308165389	572884028	/nfs/dbraw/zinc/88/40/28/572884028.db2.gz	ZBPTYEDZXRMMTJ-LLVKDONJSA-N	0	0	198.331	3.150	10	0		AGAERN
CCCC1(C(=O)c2ccoc2)CC1	308160676	572884290	/nfs/dbraw/zinc/88/42/90/572884290.db2.gz	WPFNRNSUZQRLJQ-UHFFFAOYSA-N	0	0	178.231	3.043	10	0		AGAERN
CC/C=C(\C=C\[C@H](C)O)C(C)(C)C	308165668	572884567	/nfs/dbraw/zinc/88/45/67/572884567.db2.gz	QWRBPLBMXVJSIB-NHSLMEQXSA-N	0	0	182.307	3.306	10	0		AGAERN
CC[C@@H](C(=O)C(C)C)c1ccccc1	86167200	572884684	/nfs/dbraw/zinc/88/46/84/572884684.db2.gz	ZVDGGJCSVNQHSP-GFCCVEGCSA-N	0	0	190.286	3.405	10	0		AGAERN
CC/C=C(/C=C\[C@H](C)O)C(C)(C)C	308165672	572884767	/nfs/dbraw/zinc/88/47/67/572884767.db2.gz	QWRBPLBMXVJSIB-PVYPNMEBSA-N	0	0	182.307	3.306	10	0		AGAERN
CCc1ncc(C)c2ccccc12	196577404	572885324	/nfs/dbraw/zinc/88/53/24/572885324.db2.gz	XPWADUSIXUKMHJ-UHFFFAOYSA-N	0	0	171.243	3.106	10	0		AGAERN
CC(/C=C/C1CCCCC1)=C\CO	308168013	572885556	/nfs/dbraw/zinc/88/55/56/572885556.db2.gz	SAPHLGSACAOQRS-MFDVASPDSA-N	0	0	180.291	3.062	10	0		AGAERN
CC(/C=C\C1CCCCC1)=C/CO	308168012	572886080	/nfs/dbraw/zinc/88/60/80/572886080.db2.gz	SAPHLGSACAOQRS-JCBKOVKPSA-N	0	0	180.291	3.062	10	0		AGAERN
CC[C@@H](CCSC(C)C)C(C)=O	307968741	572886094	/nfs/dbraw/zinc/88/60/94/572886094.db2.gz	VLCJKGPBLVKHEN-JTQLQIEISA-N	0	0	188.336	3.133	10	0		AGAERN
CCC[C@H](CC)[C@@H]1CCCC[C@H]1O	308166603	572886214	/nfs/dbraw/zinc/88/62/14/572886214.db2.gz	RKSYPLHDADONEL-SDDRHHMPSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@H](CC)[C@H]1CCCC[C@H]1O	308166602	572886754	/nfs/dbraw/zinc/88/67/54/572886754.db2.gz	RKSYPLHDADONEL-QJPTWQEYSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C(=O)C(C)C)c1ccccc1	86167199	572886810	/nfs/dbraw/zinc/88/68/10/572886810.db2.gz	ZVDGGJCSVNQHSP-LBPRGKRZSA-N	0	0	190.286	3.405	10	0		AGAERN
CC(C)SCc1ncc(C(C)C)o1	308166171	572887142	/nfs/dbraw/zinc/88/71/42/572887142.db2.gz	XQANRIYGIXTLDV-UHFFFAOYSA-N	0	0	199.319	3.440	10	0		AGAERN
CCC[C@H]1C[C@@]1(O)CC1CCCC1	86203525	572887516	/nfs/dbraw/zinc/88/75/16/572887516.db2.gz	YASCNDUVXDWOAS-RYUDHWBXSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1ccc(/C=C(/CO)C(C)C)cc1	86209468	572887567	/nfs/dbraw/zinc/88/75/67/572887567.db2.gz	RWERVTUJIHTZJT-JYRVWZFOSA-N	0	0	190.286	3.027	10	0		AGAERN
C[C@@H]1C[C@]1(O)c1ccc2ccccc2c1	86196692	572887597	/nfs/dbraw/zinc/88/75/97/572887597.db2.gz	RGPSYWMZQPSABB-QMTHXVAHSA-N	0	0	198.265	3.067	10	0		AGAERN
CCC[C@@H]1C[C@]1(O)CC1CCCC1	86203518	572887683	/nfs/dbraw/zinc/88/76/83/572887683.db2.gz	YASCNDUVXDWOAS-VXGBXAGGSA-N	0	0	182.307	3.118	10	0		AGAERN
C/C=C(\C)CC[C@H](O)C1CCCC1	308168023	572887687	/nfs/dbraw/zinc/88/76/87/572887687.db2.gz	SELQTHBPSSCROG-IYMAKHKGSA-N	0	0	182.307	3.284	10	0		AGAERN
CC[C@@H]1C[C@@]1(O)CCC1CCCC1	86201013	572887770	/nfs/dbraw/zinc/88/77/70/572887770.db2.gz	SXPLTCDMQUCWBM-NEPJUHHUSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@H]1C[C@]1(O)c1cccc2ccccc12	86197843	572887835	/nfs/dbraw/zinc/88/78/35/572887835.db2.gz	HJCRKOYIZFJFKO-IINYFYTJSA-N	0	0	198.265	3.067	10	0		AGAERN
CC/C(=C\c1ccc(C)cc1C)CO	86208970	572887865	/nfs/dbraw/zinc/88/78/65/572887865.db2.gz	TWHDZLQQXZRVPS-XYOKQWHBSA-N	0	0	190.286	3.089	10	0		AGAERN
Cc1ccccc1/C=C(/CO)C(C)C	86209432	572887868	/nfs/dbraw/zinc/88/78/68/572887868.db2.gz	KYCGNFMXBBQXNB-JYRVWZFOSA-N	0	0	190.286	3.027	10	0		AGAERN
CCCCC[C@@]1(O)C[C@@H]1CCC	86203063	572887882	/nfs/dbraw/zinc/88/78/82/572887882.db2.gz	KYQXKUXXVJWRSS-WDEREUQCSA-N	0	0	170.296	3.118	10	0		AGAERN
CCCCC[C@@]1(O)C[C@H]1CCC	86203068	572887889	/nfs/dbraw/zinc/88/78/89/572887889.db2.gz	KYQXKUXXVJWRSS-GHMZBOCLSA-N	0	0	170.296	3.118	10	0		AGAERN
CC[C@@H]1C[C@]1(O)CCC1CCCC1	86201009	572887935	/nfs/dbraw/zinc/88/79/35/572887935.db2.gz	SXPLTCDMQUCWBM-VXGBXAGGSA-N	0	0	182.307	3.118	10	0		AGAERN
CCCC[C@H](CC)[C@@]1(O)C[C@@H]1CC	86200184	572887956	/nfs/dbraw/zinc/88/79/56/572887956.db2.gz	VXQMYGPJELLVHI-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H]1C[C@]1(O)CCC1CCCC1	86201010	572888016	/nfs/dbraw/zinc/88/80/16/572888016.db2.gz	SXPLTCDMQUCWBM-NWDGAFQWSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@@H]1C[C@@]1(O)C[C@@H](C)C(C)(C)C	86199950	572888088	/nfs/dbraw/zinc/88/80/88/572888088.db2.gz	IMOYLIMNWSSJLF-FOGDFJRCSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC(=O)CCCCSC(C)C	307970169	572888136	/nfs/dbraw/zinc/88/81/36/572888136.db2.gz	WOKMFLYCCYOKRY-UHFFFAOYSA-N	0	0	188.336	3.277	10	0		AGAERN
C/C=C(/CO)C/C=C\CCCCC	308170025	572888245	/nfs/dbraw/zinc/88/82/45/572888245.db2.gz	UOYPTURECMVFNL-FIYMPXMFSA-N	0	0	182.307	3.452	10	0		AGAERN
C[C@@H]1C[C@@]1(O)c1ccc2ccccc2c1	86196694	572888440	/nfs/dbraw/zinc/88/84/40/572888440.db2.gz	RGPSYWMZQPSABB-YGRLFVJLSA-N	0	0	198.265	3.067	10	0		AGAERN
CC/C(=C\c1ccc(CC)s1)CO	86209326	572888972	/nfs/dbraw/zinc/88/89/72/572888972.db2.gz	SWETXHOJSPJAKW-VQHVLOKHSA-N	0	0	196.315	3.096	10	0		AGAERN
Cc1ccc(/C=C(/CO)C(C)C)s1	86209350	572888458	/nfs/dbraw/zinc/88/84/58/572888458.db2.gz	RJZIPURATDPPSR-POHAHGRESA-N	0	0	196.315	3.088	10	0		AGAERN
C[C@@H]1C[C@]1(O)c1cccc2ccccc12	86197841	572888529	/nfs/dbraw/zinc/88/85/29/572888529.db2.gz	HJCRKOYIZFJFKO-QMTHXVAHSA-N	0	0	198.265	3.067	10	0		AGAERN
CC[C@H]1C[C@@]1(O)CCC1CCCC1	86201015	572888535	/nfs/dbraw/zinc/88/85/35/572888535.db2.gz	SXPLTCDMQUCWBM-RYUDHWBXSA-N	0	0	182.307	3.118	10	0		AGAERN
CCCCC[C@]1(O)C[C@@H]1CCC	86203062	572888561	/nfs/dbraw/zinc/88/85/61/572888561.db2.gz	KYQXKUXXVJWRSS-QWRGUYRKSA-N	0	0	170.296	3.118	10	0		AGAERN
C[C@H]1C[C@]1(O)c1ccc2ccccc2c1	86196693	572888663	/nfs/dbraw/zinc/88/86/63/572888663.db2.gz	RGPSYWMZQPSABB-IINYFYTJSA-N	0	0	198.265	3.067	10	0		AGAERN
CC/C(=C\c1ccc(C)c(C)c1)CO	86209094	572888700	/nfs/dbraw/zinc/88/87/00/572888700.db2.gz	IEAWWRYFSHYNAM-XYOKQWHBSA-N	0	0	190.286	3.089	10	0		AGAERN
CC/C(=C\c1ccc(CC)cc1)CO	86209180	572888787	/nfs/dbraw/zinc/88/87/87/572888787.db2.gz	RLCGIDSTBQPTLJ-FMIVXFBMSA-N	0	0	190.286	3.035	10	0		AGAERN
CCCC[C@H](CC)[C@]1(O)C[C@@H]1CC	86200181	572889164	/nfs/dbraw/zinc/88/91/64/572889164.db2.gz	VXQMYGPJELLVHI-SDDRHHMPSA-N	0	0	184.323	3.364	10	0		AGAERN
CC/C(=C\c1ccccc1CC)CO	86209328	572888963	/nfs/dbraw/zinc/88/89/63/572888963.db2.gz	LSXJKUBLBXTIDZ-PKNBQFBNSA-N	0	0	190.286	3.035	10	0		AGAERN
C[C@@H]1C[C@@]1(O)c1cccc2ccccc12	86197845	572889180	/nfs/dbraw/zinc/88/91/80/572889180.db2.gz	HJCRKOYIZFJFKO-YGRLFVJLSA-N	0	0	198.265	3.067	10	0		AGAERN
CCSCc1ncc(C(C)C)o1	308168300	572889293	/nfs/dbraw/zinc/88/92/93/572889293.db2.gz	VJTMPPQKUMUSEM-UHFFFAOYSA-N	0	0	185.292	3.051	10	0		AGAERN
CCCCC/C=C(\SC)[C@H](C)O	307974157	572895407	/nfs/dbraw/zinc/89/54/07/572895407.db2.gz	DALRBEUPQLFEEJ-CUQRQBARSA-N	0	0	188.336	3.194	10	0		AGAERN
CCC[C@@H]1C[C@@]1(O)CC1CCCC1	86203523	572889377	/nfs/dbraw/zinc/88/93/77/572889377.db2.gz	YASCNDUVXDWOAS-NEPJUHHUSA-N	0	0	182.307	3.118	10	0		AGAERN
CCCCC[C@]1(O)C[C@H]1CCC	86203066	572889403	/nfs/dbraw/zinc/88/94/03/572889403.db2.gz	KYQXKUXXVJWRSS-MNOVXSKESA-N	0	0	170.296	3.118	10	0		AGAERN
CC/C(=C\c1ccccc1Cl)CO	86209256	572889445	/nfs/dbraw/zinc/88/94/45/572889445.db2.gz	KAXOUHNUHWMXMF-VQHVLOKHSA-N	0	0	196.677	3.126	10	0		AGAERN
CCC/C=C\[C@H](O)C1=CCCCC1	308169213	572889494	/nfs/dbraw/zinc/88/94/94/572889494.db2.gz	UJBWBXQHNXJZSM-JSJZCHLLSA-N	0	0	180.291	3.204	10	0		AGAERN
C[C@H]1C[C@@]1(O)c1cccc2ccccc12	86197847	572889515	/nfs/dbraw/zinc/88/95/15/572889515.db2.gz	HJCRKOYIZFJFKO-HZMBPMFUSA-N	0	0	198.265	3.067	10	0		AGAERN
CC/C(=C\c1cccc(C)c1C)CO	86209037	572889595	/nfs/dbraw/zinc/88/95/95/572889595.db2.gz	DNYBLOQECDEECP-XYOKQWHBSA-N	0	0	190.286	3.089	10	0		AGAERN
CC/C(=C\c1ccc(Cl)cc1)CO	86209161	572889655	/nfs/dbraw/zinc/88/96/55/572889655.db2.gz	HYJCQIURKMNXAR-VQHVLOKHSA-N	0	0	196.677	3.126	10	0		AGAERN
C[C@H]1C[C@@]1(O)c1ccc2ccccc2c1	86196695	572889677	/nfs/dbraw/zinc/88/96/77/572889677.db2.gz	RGPSYWMZQPSABB-HZMBPMFUSA-N	0	0	198.265	3.067	10	0		AGAERN
CC/C(=C\c1cc(C)sc1C)CO	86209142	572889824	/nfs/dbraw/zinc/88/98/24/572889824.db2.gz	ZUQZJMKNBDXISO-UXBLZVDNSA-N	0	0	196.315	3.151	10	0		AGAERN
CCC[C@H]1C[C@]1(O)CC1CCCC1	86203520	572889905	/nfs/dbraw/zinc/88/99/05/572889905.db2.gz	YASCNDUVXDWOAS-NWDGAFQWSA-N	0	0	182.307	3.118	10	0		AGAERN
O[C@@H]1CCCCCCc2ccccc21	196578582	572889886	/nfs/dbraw/zinc/88/98/86/572889886.db2.gz	LEXBQXGVXDHFBH-CYBMUJFWSA-N	0	0	190.286	3.227	10	0		AGAERN
CC[C@@H]1C[C@]1(O)C[C@@H](C)C(C)(C)C	86199946	572889918	/nfs/dbraw/zinc/88/99/18/572889918.db2.gz	IMOYLIMNWSSJLF-CKYFFXLPSA-N	0	0	184.323	3.220	10	0		AGAERN
CC/C(=C\c1cccc(Cl)c1)CO	86209102	572889978	/nfs/dbraw/zinc/88/99/78/572889978.db2.gz	AQQZRPGSMVTFOD-RMKNXTFCSA-N	0	0	196.677	3.126	10	0		AGAERN
Cc1cccc(/C=C(/CO)C(C)C)c1	86209543	572891936	/nfs/dbraw/zinc/89/19/36/572891936.db2.gz	VXEWKYJFIRQCDU-JYRVWZFOSA-N	0	0	190.286	3.027	10	0		AGAERN
CC(C)[C@@H]1CNc2cscc2S1	75592916	572890990	/nfs/dbraw/zinc/89/09/90/572890990.db2.gz	JLKWPASYZPWQGV-QMMMGPOBSA-N	0	0	199.344	3.290	10	0		AGAERN
Cc1ccsc1/C=C(/CO)C(C)C	86209594	572891985	/nfs/dbraw/zinc/89/19/85/572891985.db2.gz	KGXKAFSEHJLPMU-POHAHGRESA-N	0	0	196.315	3.088	10	0		AGAERN
CC(C)[C@@H]1CNc2ccsc2S1	75592688	572891021	/nfs/dbraw/zinc/89/10/21/572891021.db2.gz	IZLWFBBMPHMTPW-QMMMGPOBSA-N	0	0	199.344	3.290	10	0		AGAERN
CCC/C(C)=C(\CC)C(=O)OCC	714367884	572891081	/nfs/dbraw/zinc/89/10/81/572891081.db2.gz	WWQXECUUSHQPHH-MDZDMXLPSA-N	0	0	184.279	3.076	10	0		AGAERN
CC1(C)CNc2cscc2S1	75592949	572891114	/nfs/dbraw/zinc/89/11/14/572891114.db2.gz	YQOBHVHTVRLXSQ-UHFFFAOYSA-N	0	0	185.317	3.044	10	0		AGAERN
CC(=O)c1oc(C)cc1C(C)(C)C	75589020	572891368	/nfs/dbraw/zinc/89/13/68/572891368.db2.gz	YELZDZHVNUMKIL-UHFFFAOYSA-N	0	0	180.247	3.088	10	0		AGAERN
CC[C@H](O)[C@H](C)C[C@@H](C)CC(C)C	118817251	572891425	/nfs/dbraw/zinc/89/14/25/572891425.db2.gz	YIBSNDJMHRVSPG-TUAOUCFPSA-N	0	0	186.339	3.466	10	0		AGAERN
CCCC(=O)CC[C@@H](C)CC	50425962	572891503	/nfs/dbraw/zinc/89/15/03/572891503.db2.gz	PHMXAQIFAVGYQS-VIFPVBQESA-N	0	0	156.269	3.182	10	0		AGAERN
CC1(C)CNc2sccc2S1	75592752	572891953	/nfs/dbraw/zinc/89/19/53/572891953.db2.gz	IPBQERMAQKZPTA-UHFFFAOYSA-N	0	0	185.317	3.044	10	0		AGAERN
CN1CC(C)(C)Sc2ccsc21	75593029	572891736	/nfs/dbraw/zinc/89/17/36/572891736.db2.gz	GMLHJOBWQKFUDJ-UHFFFAOYSA-N	0	0	199.344	3.069	10	0		AGAERN
CCCCC/C=C\C(C)(C)CO	307978327	572891747	/nfs/dbraw/zinc/89/17/47/572891747.db2.gz	KWNDKUJDIGBOHC-HJWRWDBZSA-N	0	0	170.296	3.141	10	0		AGAERN
CC[C@H](O)[C@@H](C)C[C@@H](C)CC(C)C	118817247	572891956	/nfs/dbraw/zinc/89/19/56/572891956.db2.gz	YIBSNDJMHRVSPG-SRVKXCTJSA-N	0	0	186.339	3.466	10	0		AGAERN
CC1(C)CNc2ccsc2S1	75592724	572891772	/nfs/dbraw/zinc/89/17/72/572891772.db2.gz	KZLJXQVTOVZNSM-UHFFFAOYSA-N	0	0	185.317	3.044	10	0		AGAERN
CC(C)[C@H]1CNc2ccsc2S1	75592690	572891910	/nfs/dbraw/zinc/89/19/10/572891910.db2.gz	IZLWFBBMPHMTPW-MRVPVSSYSA-N	0	0	199.344	3.290	10	0		AGAERN
CC[C@H](C)C[C@@H]1C[C@H](C)CC[C@@H]1O	50428164	572892263	/nfs/dbraw/zinc/89/22/63/572892263.db2.gz	WGESJCXYVLHFTK-QCNOEVLYSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC/C(C)=C(/CC)C(=O)OCC	714367883	572892289	/nfs/dbraw/zinc/89/22/89/572892289.db2.gz	WWQXECUUSHQPHH-KTKRTIGZSA-N	0	0	184.279	3.076	10	0		AGAERN
CC[C@H](C)COc1ccc(N)c(C)c1	50423236	572892324	/nfs/dbraw/zinc/89/23/24/572892324.db2.gz	BLZSKCPCOIUJDA-VIFPVBQESA-N	0	0	193.290	3.002	10	0		AGAERN
C/C=C/[C@@H](O)C/C=C/C[Si](C)(C)C	308171759	572892358	/nfs/dbraw/zinc/89/23/58/572892358.db2.gz	WAWMUBIBUHRGAO-GRQITZIUSA-N	0	0	198.382	3.208	10	0		AGAERN
CC(C)[C@H]1CNc2cscc2S1	75592931	572892480	/nfs/dbraw/zinc/89/24/80/572892480.db2.gz	JLKWPASYZPWQGV-MRVPVSSYSA-N	0	0	199.344	3.290	10	0		AGAERN
C/C=C/[C@@H](O)C/C=C\C[Si](C)(C)C	308171761	572892517	/nfs/dbraw/zinc/89/25/17/572892517.db2.gz	WAWMUBIBUHRGAO-QLXBQPEESA-N	0	0	198.382	3.208	10	0		AGAERN
CN1CC(C)(C)Sc2cscc21	75593106	572892722	/nfs/dbraw/zinc/89/27/22/572892722.db2.gz	OEAQHQOYYYPDBV-UHFFFAOYSA-N	0	0	199.344	3.069	10	0		AGAERN
CC(C)[C@H]1CNc2sccc2S1	75592741	572892899	/nfs/dbraw/zinc/89/28/99/572892899.db2.gz	PNTOJDXEWRGOSX-MRVPVSSYSA-N	0	0	199.344	3.290	10	0		AGAERN
CC(C)[C@@H]1CNc2sccc2S1	75592739	572893006	/nfs/dbraw/zinc/89/30/06/572893006.db2.gz	PNTOJDXEWRGOSX-QMMMGPOBSA-N	0	0	199.344	3.290	10	0		AGAERN
CCCC(=O)O[C@@H](C)[C@H](C)CCC	308171010	572893165	/nfs/dbraw/zinc/89/31/65/572893165.db2.gz	BKXSDKKTMVZGSQ-ZJUUUORDSA-N	0	0	186.295	3.154	10	0		AGAERN
CC[C@H](O)/C=C(\Cl)c1ccccc1	308170730	572893207	/nfs/dbraw/zinc/89/32/07/572893207.db2.gz	VHLQWFVSNDHQGM-DFYQSJSGSA-N	0	0	196.677	3.037	10	0		AGAERN
CC/C=C(\CC)[C@@H](O)C(C)(C)C	307974494	572893396	/nfs/dbraw/zinc/89/33/96/572893396.db2.gz	DFQJSZZQNANLEU-AAXQSMANSA-N	0	0	170.296	3.140	10	0		AGAERN
CC/C=C(\CC)[C@H](O)C(C)(C)C	307974498	572893428	/nfs/dbraw/zinc/89/34/28/572893428.db2.gz	DFQJSZZQNANLEU-DDXVTDLHSA-N	0	0	170.296	3.140	10	0		AGAERN
CCC[C@H](C)[C@H](O)[C@H](C)CCC	307973244	572893434	/nfs/dbraw/zinc/89/34/34/572893434.db2.gz	BMQHYGGEHXVXPT-JGPRNRPPSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@@H](O)/C=C(\Cl)c1ccccc1	308170731	572893492	/nfs/dbraw/zinc/89/34/92/572893492.db2.gz	VHLQWFVSNDHQGM-UBYNWHESSA-N	0	0	196.677	3.037	10	0		AGAERN
C/C(=C/CC[C@H](C)CO)CC(C)C	308170747	572893682	/nfs/dbraw/zinc/89/36/82/572893682.db2.gz	VKGSHOBDNWJBLK-DSDFTUOUSA-N	0	0	184.323	3.387	10	0		AGAERN
C/C=C/[C@](C)(CCCC)[C@H](C)O	307974533	572893921	/nfs/dbraw/zinc/89/39/21/572893921.db2.gz	DHKKOBAPMNSRDO-YBFGJNSCSA-N	0	0	170.296	3.140	10	0		AGAERN
C/C=C\[C@](C)(CCCC)[C@H](C)O	307974532	572894010	/nfs/dbraw/zinc/89/40/10/572894010.db2.gz	DHKKOBAPMNSRDO-OBCZMHBZSA-N	0	0	170.296	3.140	10	0		AGAERN
CCCC/C=C/CC/C=C\CO	307974034	572894285	/nfs/dbraw/zinc/89/42/85/572894285.db2.gz	CRDFNIBVTFJSEX-QMRMAQATSA-N	0	0	168.280	3.062	10	0		AGAERN
CCCCc1cccc(OC)c1F	118896600	572894496	/nfs/dbraw/zinc/89/44/96/572894496.db2.gz	SCNJGMLSPDKABG-UHFFFAOYSA-N	0	0	182.238	3.177	10	0		AGAERN
CCCCC/C=C(\SC)[C@@H](C)O	307974160	572894545	/nfs/dbraw/zinc/89/45/45/572894545.db2.gz	DALRBEUPQLFEEJ-URLRMUCDSA-N	0	0	188.336	3.194	10	0		AGAERN
CC(C)=C(Cl)CC/C(C)=C\CO	307973247	572894577	/nfs/dbraw/zinc/89/45/77/572894577.db2.gz	BMXKOKCAVUPSIA-TWGQIWQCSA-N	0	0	188.698	3.238	10	0		AGAERN
CCCC/C=C\CC/C=C\CO	307974035	572894587	/nfs/dbraw/zinc/89/45/87/572894587.db2.gz	CRDFNIBVTFJSEX-WBHJMADESA-N	0	0	168.280	3.062	10	0		AGAERN
COc1cccc(CCC(C)C)c1F	118893010	572894613	/nfs/dbraw/zinc/89/46/13/572894613.db2.gz	SGFAXNHFSADZBR-UHFFFAOYSA-N	0	0	196.265	3.423	10	0		AGAERN
CCC/C=C(\CC)[C@H](O)CCC	307973681	572894981	/nfs/dbraw/zinc/89/49/81/572894981.db2.gz	CDLYQPJYQNNBFV-PBQZMEPESA-N	0	0	170.296	3.284	10	0		AGAERN
c1cc2c(o1)NCC1(CCCC1)S2	75596322	572895108	/nfs/dbraw/zinc/89/51/08/572895108.db2.gz	HNNFNJUIXIAMFW-UHFFFAOYSA-N	0	0	195.287	3.110	10	0		AGAERN
C/C=C(/C=C\CCCC)CCCO	308164001	572895159	/nfs/dbraw/zinc/89/51/59/572895159.db2.gz	PJWZJVQCOMOJOP-ZBUWVZGFSA-N	0	0	182.307	3.452	10	0		AGAERN
CCCC/C=C\CC/C=C/CO	307974032	572895197	/nfs/dbraw/zinc/89/51/97/572895197.db2.gz	CRDFNIBVTFJSEX-MLCWLASSSA-N	0	0	168.280	3.062	10	0		AGAERN
CCC/C=C(\CC)[C@@H](O)CCC	307973682	572895216	/nfs/dbraw/zinc/89/52/16/572895216.db2.gz	CDLYQPJYQNNBFV-USKTWTLRSA-N	0	0	170.296	3.284	10	0		AGAERN
C[C@@H](C[C@@H](C)CO)C1CCCCC1	118865446	572895783	/nfs/dbraw/zinc/89/57/83/572895783.db2.gz	ZMIUGCJXPWEZRR-MNOVXSKESA-N	0	0	184.323	3.221	10	0		AGAERN
c1occ2c1NCC1(CCCC1)S2	75596755	572895884	/nfs/dbraw/zinc/89/58/84/572895884.db2.gz	AEHYAVUVHKUWLY-UHFFFAOYSA-N	0	0	195.287	3.110	10	0		AGAERN
c1cc2c(o1)SC1(CCCC1)CN2	75596252	572895956	/nfs/dbraw/zinc/89/59/56/572895956.db2.gz	WJZVHEXEDJWHAV-UHFFFAOYSA-N	0	0	195.287	3.110	10	0		AGAERN
CC/C=C/C/C=C/C=C\[C@H](O)CC	308163974	572896001	/nfs/dbraw/zinc/89/60/01/572896001.db2.gz	PDBYHPYMQJONTC-WBBKZGDASA-N	0	0	180.291	3.226	10	0		AGAERN
C[C@@H](CO)C[C@@H](C)C1CCCCC1	118865441	572896101	/nfs/dbraw/zinc/89/61/01/572896101.db2.gz	ZMIUGCJXPWEZRR-GHMZBOCLSA-N	0	0	184.323	3.221	10	0		AGAERN
C/C=C(/C=C/CCCC)CCCO	308164000	572896254	/nfs/dbraw/zinc/89/62/54/572896254.db2.gz	PJWZJVQCOMOJOP-UZJVAGKRSA-N	0	0	182.307	3.452	10	0		AGAERN
CC/C=C\C/C=C/C=C/[C@@H](O)CC	308163975	572896510	/nfs/dbraw/zinc/89/65/10/572896510.db2.gz	PDBYHPYMQJONTC-ZDYJGJMQSA-N	0	0	180.291	3.226	10	0		AGAERN
Cc1ccc([C@@H](C)N=O)cc1C	199291068	572897482	/nfs/dbraw/zinc/89/74/82/572897482.db2.gz	VMEAQEKWHXFRTI-SECBINFHSA-N	0	0	163.220	3.131	10	0		AGAERN
CCCC[C@H]([C@@H](C)CO)C(C)(C)C	308175785	572897278	/nfs/dbraw/zinc/89/72/78/572897278.db2.gz	AUFPIVGMHZHUHS-WDEREUQCSA-N	0	0	186.339	3.467	10	0		AGAERN
CC(C)CC/C=C\[C@@H]1CC[C@@H](O)C1	308175054	572897967	/nfs/dbraw/zinc/89/79/67/572897967.db2.gz	ZNJFPVUZIFLPBX-CZVUKNJHSA-N	0	0	182.307	3.140	10	0		AGAERN
CC[C@@H](O)/C(Cl)=C\c1ccccc1	308175058	572898212	/nfs/dbraw/zinc/89/82/12/572898212.db2.gz	ZODSDWRPAVVWJY-RJCSOLBVSA-N	0	0	196.677	3.037	10	0		AGAERN
CC[C@H](O)/C(Cl)=C\c1ccccc1	308175059	572898322	/nfs/dbraw/zinc/89/83/22/572898322.db2.gz	ZODSDWRPAVVWJY-UQSGXBNBSA-N	0	0	196.677	3.037	10	0		AGAERN
CCCC[C@@H]([C@@H](C)CO)C(C)(C)C	308175781	572898450	/nfs/dbraw/zinc/89/84/50/572898450.db2.gz	AUFPIVGMHZHUHS-QWRGUYRKSA-N	0	0	186.339	3.467	10	0		AGAERN
CCCC[C@H]([C@H](C)CO)C(C)(C)C	308175778	572898533	/nfs/dbraw/zinc/89/85/33/572898533.db2.gz	AUFPIVGMHZHUHS-GHMZBOCLSA-N	0	0	186.339	3.467	10	0		AGAERN
CCCC(=O)C[C@H]1CC=CCC1	118910072	572898579	/nfs/dbraw/zinc/89/85/79/572898579.db2.gz	JEVYHGQAPYKSPS-JTQLQIEISA-N	0	0	166.264	3.102	10	0		AGAERN
CC(C)CCC[C@@H](C)C[C@H](C)CO	308174953	572898713	/nfs/dbraw/zinc/89/87/13/572898713.db2.gz	ZFRARIHJDKDCGB-NEPJUHHUSA-N	0	0	186.339	3.467	10	0		AGAERN
CCCC(=O)C[C@@H]1CC=CCC1	118910073	572898939	/nfs/dbraw/zinc/89/89/39/572898939.db2.gz	JEVYHGQAPYKSPS-SNVBAGLBSA-N	0	0	166.264	3.102	10	0		AGAERN
CC[C@@H](C)C[C@@H](C)/C=C/CCCO	308172782	572899292	/nfs/dbraw/zinc/89/92/92/572899292.db2.gz	XFPMGQNCKPWXLF-OWVOXGNYSA-N	0	0	184.323	3.387	10	0		AGAERN
CC/C=C/c1nc([C@H](C)CC)no1	308172826	572899430	/nfs/dbraw/zinc/89/94/30/572899430.db2.gz	BYIIBKABYKYKFK-HYDMIIDASA-N	0	0	180.251	3.006	10	0		AGAERN
CC/C=C\c1nc([C@H](C)CC)no1	308172828	572899561	/nfs/dbraw/zinc/89/95/61/572899561.db2.gz	BYIIBKABYKYKFK-NFXKFNAJSA-N	0	0	180.251	3.006	10	0		AGAERN
CC[C@@H](C)C[C@@H](C)/C=C\CCCO	308172783	572900143	/nfs/dbraw/zinc/90/01/43/572900143.db2.gz	XFPMGQNCKPWXLF-YYYFKNSJSA-N	0	0	184.323	3.387	10	0		AGAERN
CC/C=C\c1nc([C@@H](C)CC)no1	308172829	572900252	/nfs/dbraw/zinc/90/02/52/572900252.db2.gz	BYIIBKABYKYKFK-UAPHAKCISA-N	0	0	180.251	3.006	10	0		AGAERN
CC/C=C/c1nc([C@@H](C)CC)no1	308172825	572900508	/nfs/dbraw/zinc/90/05/08/572900508.db2.gz	BYIIBKABYKYKFK-CZEYKFRCSA-N	0	0	180.251	3.006	10	0		AGAERN
CCCCCC[C@@H](CO)C(F)(F)F	308173453	572901685	/nfs/dbraw/zinc/90/16/85/572901685.db2.gz	YDWBIJLBGLSCSY-QMMMGPOBSA-N	0	0	198.228	3.128	10	0		AGAERN
CCC/C=C(\CCC)[C@@H](O)C1CC1	308172805	572900587	/nfs/dbraw/zinc/90/05/87/572900587.db2.gz	XJCPXKADFJLVON-OFFHKIPUSA-N	0	0	182.307	3.284	10	0		AGAERN
CCC/C=C(\CCC)[C@H](O)C1CC1	308172807	572900988	/nfs/dbraw/zinc/90/09/88/572900988.db2.gz	XJCPXKADFJLVON-PMDBQALLSA-N	0	0	182.307	3.284	10	0		AGAERN
CN(C)c1ccc(C2CCCC2)cc1	75840549	572902283	/nfs/dbraw/zinc/90/22/83/572902283.db2.gz	SXXOQLIRKNUZRJ-UHFFFAOYSA-N	0	0	189.302	3.410	10	0		AGAERN
C[C@H](O)c1ccc(C2CCCC2)cc1	75853339	572901489	/nfs/dbraw/zinc/90/14/89/572901489.db2.gz	BDSCREJYFMNKKC-JTQLQIEISA-N	0	0	190.286	3.398	10	0		AGAERN
C[C@@H](c1ccccc1)c1nccs1	75841701	572902312	/nfs/dbraw/zinc/90/23/12/572902312.db2.gz	CFBZUKBTPPODAF-VIFPVBQESA-N	0	0	189.283	3.295	10	0		AGAERN
Cn1ncc(Cl)c1C1CCCCC1	75841510	572902320	/nfs/dbraw/zinc/90/23/20/572902320.db2.gz	NUFKZJDBHBIIIT-UHFFFAOYSA-N	0	0	198.697	3.121	10	0		AGAERN
CC(C)c1cc(F)c(N(C)C)cc1F	75838867	572902079	/nfs/dbraw/zinc/90/20/79/572902079.db2.gz	FDKMXHRZWMQQFL-UHFFFAOYSA-N	0	0	199.244	3.154	10	0		AGAERN
Cc1ccc(OC(C)(C)C)cc1C	75838577	572902125	/nfs/dbraw/zinc/90/21/25/572902125.db2.gz	OVBKZUVKOWINRY-UHFFFAOYSA-N	0	0	178.275	3.481	10	0		AGAERN
c1cc(C2CCCCC2)n(C2CC2)n1	75841499	572902138	/nfs/dbraw/zinc/90/21/38/572902138.db2.gz	BVDFTLOGGALSIX-UHFFFAOYSA-N	0	0	190.290	3.266	10	0		AGAERN
COc1ccc(F)cc1C1CCCC1	75840563	572902142	/nfs/dbraw/zinc/90/21/42/572902142.db2.gz	GDLGVBNXPGHZRH-UHFFFAOYSA-N	0	0	194.249	3.492	10	0		AGAERN
CC(C)C[C@@H](C)[C@](C)(O)CC(C)C	308177440	572902222	/nfs/dbraw/zinc/90/22/22/572902222.db2.gz	FYEITJWHMBQKTE-VXGBXAGGSA-N	0	0	186.339	3.466	10	0		AGAERN
CC(C)c1cc(F)c(N(C)C)c(F)c1	75838869	572902456	/nfs/dbraw/zinc/90/24/56/572902456.db2.gz	ZVEBRAOBTMMUBV-UHFFFAOYSA-N	0	0	199.244	3.154	10	0		AGAERN
Cc1csc([C@@H](C)C(F)(F)F)n1	75839862	572902493	/nfs/dbraw/zinc/90/24/93/572902493.db2.gz	KRVNNXRLVTYOGU-RXMQYKEDSA-N	0	0	195.209	3.117	10	0		AGAERN
Cc1cnc([C@H](C)C(F)(F)F)s1	75839870	572902558	/nfs/dbraw/zinc/90/25/58/572902558.db2.gz	IVKSTWILRDIOSK-YFKPBYRVSA-N	0	0	195.209	3.117	10	0		AGAERN
COc1cc(C)c(C)cc1C(C)C	75838570	572902581	/nfs/dbraw/zinc/90/25/81/572902581.db2.gz	MXZSIRGBXXQBOR-UHFFFAOYSA-N	0	0	178.275	3.435	10	0		AGAERN
CC(C)n1ccnc1C1CCCC1	75840830	572902638	/nfs/dbraw/zinc/90/26/38/572902638.db2.gz	UTPOWNJJXACFMW-UHFFFAOYSA-N	0	0	178.279	3.122	10	0		AGAERN
CC(C)c1ccc(F)c(F)c1F	75838824	572902662	/nfs/dbraw/zinc/90/26/62/572902662.db2.gz	CGJWVZOVDCRONW-UHFFFAOYSA-N	0	0	174.165	3.227	10	0		AGAERN
CCCN(C)c1ccccc1SC	308173916	572902696	/nfs/dbraw/zinc/90/26/96/572902696.db2.gz	CMDLZWOEBLYUQP-UHFFFAOYSA-N	0	0	195.331	3.255	10	0		AGAERN
CC(C)c1n[nH]cc1-c1ccccc1	75839246	572902707	/nfs/dbraw/zinc/90/27/07/572902707.db2.gz	OJFDVRNJQMUABG-UHFFFAOYSA-N	0	0	186.258	3.200	10	0		AGAERN
Cc1ccc(C2CCCCC2)nc1	75841308	572902711	/nfs/dbraw/zinc/90/27/11/572902711.db2.gz	DOFMEXPWOWXISS-UHFFFAOYSA-N	0	0	175.275	3.438	10	0		AGAERN
C[C@H](c1ccc(F)cc1)C(F)(F)F	75839488	572902731	/nfs/dbraw/zinc/90/27/31/572902731.db2.gz	RMRIJXKRXBTUJN-ZCFIWIBFSA-N	0	0	192.155	3.492	10	0		AGAERN
CN(C)c1cccc(C2CCCC2)c1	75840548	572903210	/nfs/dbraw/zinc/90/32/10/572903210.db2.gz	IGFGCOZGCGMOSY-UHFFFAOYSA-N	0	0	189.302	3.410	10	0		AGAERN
C[C@@H](c1cccs1)C(F)(F)F	75839444	572902787	/nfs/dbraw/zinc/90/27/87/572902787.db2.gz	VXPZUQXDTOVXIB-YFKPBYRVSA-N	0	0	180.194	3.414	10	0		AGAERN
CC(C)C[C@H](C)[C@](C)(O)CC(C)C	308177438	572902837	/nfs/dbraw/zinc/90/28/37/572902837.db2.gz	FYEITJWHMBQKTE-NWDGAFQWSA-N	0	0	186.339	3.466	10	0		AGAERN
Cc1csc([C@H](C)C(F)(F)F)n1	75839864	572902856	/nfs/dbraw/zinc/90/28/56/572902856.db2.gz	KRVNNXRLVTYOGU-YFKPBYRVSA-N	0	0	195.209	3.117	10	0		AGAERN
COc1cccc(F)c1C1CCCC1	75840457	572902863	/nfs/dbraw/zinc/90/28/63/572902863.db2.gz	VVAMMDUJSSBJLR-UHFFFAOYSA-N	0	0	194.249	3.492	10	0		AGAERN
C=Cn1ccnc1C1CCCCC1	75841360	572902873	/nfs/dbraw/zinc/90/28/73/572902873.db2.gz	ITDJAVLPPPHEFF-UHFFFAOYSA-N	0	0	176.263	3.031	10	0		AGAERN
C[C@H](c1ccsc1)C(F)(F)F	75839449	572902878	/nfs/dbraw/zinc/90/28/78/572902878.db2.gz	YWHVEDHMBUMPHY-RXMQYKEDSA-N	0	0	180.194	3.414	10	0		AGAERN
Cc1ccc([C@H](C)C(F)(F)F)nc1	75839860	572902926	/nfs/dbraw/zinc/90/29/26/572902926.db2.gz	JHBIIEMGLDBEBU-ZETCQYMHSA-N	0	0	189.180	3.056	10	0		AGAERN
CC(C)c1cc(N(C)C)ccc1F	75838827	572902929	/nfs/dbraw/zinc/90/29/29/572902929.db2.gz	FIFVHRRXQKZVRJ-UHFFFAOYSA-N	0	0	181.254	3.015	10	0		AGAERN
Cc1cc(C(C)C)c(O)cc1Cl	75838910	572902942	/nfs/dbraw/zinc/90/29/42/572902942.db2.gz	COKHAIURPWEMOP-UHFFFAOYSA-N	0	0	184.666	3.477	10	0		AGAERN
CC(C)c1ccc2c(c1)CCCN2C	75838922	572902948	/nfs/dbraw/zinc/90/29/48/572902948.db2.gz	SUEVJIRLHCGHKM-UHFFFAOYSA-N	0	0	189.302	3.192	10	0		AGAERN
Cc1coc(C2CCCCC2)n1	75841519	572903057	/nfs/dbraw/zinc/90/30/57/572903057.db2.gz	UABMTDNWZMMLFB-UHFFFAOYSA-N	0	0	165.236	3.031	10	0		AGAERN
C[C@H](c1ccccc1F)C(F)(F)F	75839329	572903075	/nfs/dbraw/zinc/90/30/75/572903075.db2.gz	VOGVJZRESQGXIU-ZCFIWIBFSA-N	0	0	192.155	3.492	10	0		AGAERN
Cc1nc(C2CCCCC2)oc1C	75841521	572903106	/nfs/dbraw/zinc/90/31/06/572903106.db2.gz	RNBNBBZZCLJVBI-UHFFFAOYSA-N	0	0	179.263	3.339	10	0		AGAERN
C[C@H](c1cccs1)C(F)(F)F	75839446	572903157	/nfs/dbraw/zinc/90/31/57/572903157.db2.gz	VXPZUQXDTOVXIB-RXMQYKEDSA-N	0	0	180.194	3.414	10	0		AGAERN
CN(C)c1ccccc1C1CCCC1	75840551	572903190	/nfs/dbraw/zinc/90/31/90/572903190.db2.gz	CKSJNAOGTVSHBV-UHFFFAOYSA-N	0	0	189.302	3.410	10	0		AGAERN
C[C@@H](c1cccc(F)c1)C(F)(F)F	75839490	572903231	/nfs/dbraw/zinc/90/32/31/572903231.db2.gz	OSAPDCUGZFHSBI-LURJTMIESA-N	0	0	192.155	3.492	10	0		AGAERN
C[C@@H](c1ccccc1F)C(F)(F)F	75839327	572903588	/nfs/dbraw/zinc/90/35/88/572903588.db2.gz	VOGVJZRESQGXIU-LURJTMIESA-N	0	0	192.155	3.492	10	0		AGAERN
C[C@@H](c1ccsc1)C(F)(F)F	75839447	572903284	/nfs/dbraw/zinc/90/32/84/572903284.db2.gz	YWHVEDHMBUMPHY-YFKPBYRVSA-N	0	0	180.194	3.414	10	0		AGAERN
COc1ccc(C2CCCC2)cc1F	75840564	572903390	/nfs/dbraw/zinc/90/33/90/572903390.db2.gz	QZJHKBHQDPRQEM-UHFFFAOYSA-N	0	0	194.249	3.492	10	0		AGAERN
C[C@@H](c1ccc(F)cc1)C(F)(F)F	75839483	572903406	/nfs/dbraw/zinc/90/34/06/572903406.db2.gz	RMRIJXKRXBTUJN-LURJTMIESA-N	0	0	192.155	3.492	10	0		AGAERN
CC(C)c1cccc(N(C)C)c1F	75838828	572903430	/nfs/dbraw/zinc/90/34/30/572903430.db2.gz	RHSHVCSRNZIBKQ-UHFFFAOYSA-N	0	0	181.254	3.015	10	0		AGAERN
Cc1nc(C2CCCCC2)n(C)c1C	75841358	572903493	/nfs/dbraw/zinc/90/34/93/572903493.db2.gz	BAVFOWPJDPCMCI-UHFFFAOYSA-N	0	0	192.306	3.085	10	0		AGAERN
Cc1cnc([C@@H](C)C(F)(F)F)s1	75839868	572903531	/nfs/dbraw/zinc/90/35/31/572903531.db2.gz	IVKSTWILRDIOSK-RXMQYKEDSA-N	0	0	195.209	3.117	10	0		AGAERN
CC(C)c1c(F)c(F)cc(F)c1F	75838836	572903585	/nfs/dbraw/zinc/90/35/85/572903585.db2.gz	JFEUHLGIGFCQMY-UHFFFAOYSA-N	0	0	192.155	3.366	10	0		AGAERN
CCC(=O)OCC(CC)(CC)CC	308179693	572903957	/nfs/dbraw/zinc/90/39/57/572903957.db2.gz	GQHMDJSTQLADLC-UHFFFAOYSA-N	0	0	186.295	3.156	10	0		AGAERN
C[C@H](c1cccc(F)c1)C(F)(F)F	75839492	572903977	/nfs/dbraw/zinc/90/39/77/572903977.db2.gz	OSAPDCUGZFHSBI-ZCFIWIBFSA-N	0	0	192.155	3.492	10	0		AGAERN
Cc1cccc(C(C)C)c1F	75838805	572903985	/nfs/dbraw/zinc/90/39/85/572903985.db2.gz	UHPJDYOHCBIGEI-UHFFFAOYSA-N	0	0	152.212	3.258	10	0		AGAERN
CC(C)c1c(F)ccc2cccnc12	75838966	572904094	/nfs/dbraw/zinc/90/40/94/572904094.db2.gz	RCNWDFIJYCOLKN-UHFFFAOYSA-N	0	0	189.233	3.497	10	0		AGAERN
C[C@@H](c1ccccc1)c1cccc(N)c1	75841713	572904487	/nfs/dbraw/zinc/90/44/87/572904487.db2.gz	YPSDARKMLCHGTF-NSHDSACASA-N	0	0	197.281	3.421	10	0		AGAERN
CC(C)=CC/C=C/C[C@@H](C)CCO	308179618	572904964	/nfs/dbraw/zinc/90/49/64/572904964.db2.gz	BTFWAOXBOIXQFR-FVOPLDGLSA-N	0	0	182.307	3.308	10	0		AGAERN
Cc1cccc(C)c1C1(O)CCCC1	75846622	572905420	/nfs/dbraw/zinc/90/54/20/572905420.db2.gz	REALHMRNDNSODP-UHFFFAOYSA-N	0	0	190.286	3.065	10	0		AGAERN
CCC/C=C/C=C\[C@@H](C)CCCO	308178738	572905619	/nfs/dbraw/zinc/90/56/19/572905619.db2.gz	BMDYJFPZHHZZOI-PVKVCWGRSA-N	0	0	182.307	3.308	10	0		AGAERN
C[C@H](c1ccccc1)c1cccc(N)c1	75841715	572905633	/nfs/dbraw/zinc/90/56/33/572905633.db2.gz	YPSDARKMLCHGTF-LLVKDONJSA-N	0	0	197.281	3.421	10	0		AGAERN
CCC[C@@](O)(C(CC)CC)C1CC1	308180336	572905722	/nfs/dbraw/zinc/90/57/22/572905722.db2.gz	GVEVGNZMQAKEAD-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
C=Cn1ccnc1[C@H](C)c1ccccc1	75842112	572905900	/nfs/dbraw/zinc/90/59/00/572905900.db2.gz	WQPGVITVUYALCV-LLVKDONJSA-N	0	0	198.269	3.135	10	0		AGAERN
C=Cn1ccnc1[C@@H](C)c1ccccc1	75842110	572906403	/nfs/dbraw/zinc/90/64/03/572906403.db2.gz	WQPGVITVUYALCV-NSHDSACASA-N	0	0	198.269	3.135	10	0		AGAERN
CC1=C(Cl)C(=O)[C@H]2CCCC[C@H]2N1	255961625	572907942	/nfs/dbraw/zinc/90/79/42/572907942.db2.gz	ABJKVJOJQUUFGU-JGVFFNPUSA-N	0	0	199.681	3.028	10	0		AGAERN
CC[C@H](O)[C@H](C)CC1(C)CCCC1	308184473	572908128	/nfs/dbraw/zinc/90/81/28/572908128.db2.gz	FCEXTMASAFXWLU-MNOVXSKESA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](O)[C@@H](C)CC1(C)CCCC1	308184476	572908576	/nfs/dbraw/zinc/90/85/76/572908576.db2.gz	FCEXTMASAFXWLU-QWRGUYRKSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H](O)[C@@H](C)CC1(C)CCCC1	308184644	572908593	/nfs/dbraw/zinc/90/85/93/572908593.db2.gz	FCEXTMASAFXWLU-WDEREUQCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCCCC[C@]1(O)CC[C@H]2C[C@H]21	308185048	572908729	/nfs/dbraw/zinc/90/87/29/572908729.db2.gz	FBQQBFAXXJPKBE-TUAOUCFPSA-N	0	0	182.307	3.118	10	0		AGAERN
CCCC1(C(=O)[C@H]2CCCS2)CC1	308184968	572909282	/nfs/dbraw/zinc/90/92/82/572909282.db2.gz	FAUBOPSIIQIKKF-SECBINFHSA-N	0	0	198.331	3.031	10	0		AGAERN
CC[C@@H](O)[C@H](C)CC1(C)CCCC1	308184471	572909480	/nfs/dbraw/zinc/90/94/80/572909480.db2.gz	FCEXTMASAFXWLU-GHMZBOCLSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCCCC[C@]1(O)CC[C@@H]2C[C@@H]21	308185053	572909592	/nfs/dbraw/zinc/90/95/92/572909592.db2.gz	FBQQBFAXXJPKBE-WOPDTQHZSA-N	0	0	182.307	3.118	10	0		AGAERN
CCCC1(C(=O)[C@@H]2CCCS2)CC1	308184975	572909982	/nfs/dbraw/zinc/90/99/82/572909982.db2.gz	FAUBOPSIIQIKKF-VIFPVBQESA-N	0	0	198.331	3.031	10	0		AGAERN
CC(C)C[C@H](C)[C@H](C(C)C)[C@@H](C)O	308181907	572910425	/nfs/dbraw/zinc/91/04/25/572910425.db2.gz	HORSJOJUFJKONP-TUAOUCFPSA-N	0	0	186.339	3.322	10	0		AGAERN
C/C=C(/CCCO)c1ccc(C)cc1	237984465	572910603	/nfs/dbraw/zinc/91/06/03/572910603.db2.gz	FKVRKXGIGAITBS-BASWHVEKSA-N	0	0	190.286	3.171	10	0		AGAERN
CC(C)C[C@H](C)[C@@H](C(C)C)[C@@H](C)O	308181902	572910614	/nfs/dbraw/zinc/91/06/14/572910614.db2.gz	HORSJOJUFJKONP-QJPTWQEYSA-N	0	0	186.339	3.322	10	0		AGAERN
C/C=C(/CCCO)c1ccc(F)cc1	237984507	572911017	/nfs/dbraw/zinc/91/10/17/572911017.db2.gz	LNLCIWKGXRJHMY-SGAXSIHGSA-N	0	0	194.249	3.002	10	0		AGAERN
CCc1ccccc1-c1ccc(N)cc1	75877977	572911170	/nfs/dbraw/zinc/91/11/70/572911170.db2.gz	CVRBQVWXKBXEQE-UHFFFAOYSA-N	0	0	197.281	3.498	10	0		AGAERN
CC(C)C[C@H](C)[C@H](C(C)C)[C@H](C)O	308181905	572911447	/nfs/dbraw/zinc/91/14/47/572911447.db2.gz	HORSJOJUFJKONP-SRVKXCTJSA-N	0	0	186.339	3.322	10	0		AGAERN
C/C=C(/CCCCO)c1ccccc1	237984380	572911612	/nfs/dbraw/zinc/91/16/12/572911612.db2.gz	JVVDXTMLELYWNU-OIXVIMQBSA-N	0	0	190.286	3.253	10	0		AGAERN
CC(C)(C)CC[C@](C)(O)C1CCC1	308181888	572911764	/nfs/dbraw/zinc/91/17/64/572911764.db2.gz	HNXIFYBHLVPNGP-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCCC(=O)CC1CCCC1	86315004	572912488	/nfs/dbraw/zinc/91/24/88/572912488.db2.gz	YGPWCHHZODVNQV-UHFFFAOYSA-N	0	0	168.280	3.326	10	0		AGAERN
C/C=C/C=C/[C@@H](O)CCC=C(C)C	238003386	572912278	/nfs/dbraw/zinc/91/22/78/572912278.db2.gz	OQAGYUDDFSMLFC-IVCOTGPOSA-N	0	0	180.291	3.226	10	0		AGAERN
CC(C)C[C@H](C)[C@@H](C(C)C)[C@H](C)O	308181903	572912061	/nfs/dbraw/zinc/91/20/61/572912061.db2.gz	HORSJOJUFJKONP-SDDRHHMPSA-N	0	0	186.339	3.322	10	0		AGAERN
C=CCSc1ccc(C=O)cc1C	308181974	572912080	/nfs/dbraw/zinc/91/20/80/572912080.db2.gz	HSOSYUJUAFZKFA-UHFFFAOYSA-N	0	0	192.283	3.086	10	0		AGAERN
CC(C)C(C(=O)C1CCC1)C(C)C	308185313	572912240	/nfs/dbraw/zinc/91/22/40/572912240.db2.gz	JHUXBWKBAWXZQF-UHFFFAOYSA-N	0	0	182.307	3.284	10	0		AGAERN
CCCCC(=O)CCc1cccs1	86315006	572912243	/nfs/dbraw/zinc/91/22/43/572912243.db2.gz	BNMTVUPVLLUNGK-UHFFFAOYSA-N	0	0	196.315	3.440	10	0		AGAERN
CCCCC(=O)C[C@@H](C)CC	86314980	572912254	/nfs/dbraw/zinc/91/22/54/572912254.db2.gz	DNPDGPFLKOOIEB-VIFPVBQESA-N	0	0	156.269	3.182	10	0		AGAERN
C=C/C=C/CCC[C@H](O)/C=C/C=C/C	238003311	572912355	/nfs/dbraw/zinc/91/23/55/572912355.db2.gz	IRXBAOKCNUPLFR-OZLJOTCXSA-N	0	0	192.302	3.392	10	0		AGAERN
Clc1ccc2[nH]nc(C3CC3)c2c1	75883994	572912433	/nfs/dbraw/zinc/91/24/33/572912433.db2.gz	YGJALQKOSRBSQL-UHFFFAOYSA-N	0	0	192.649	3.094	10	0		AGAERN
C=C/C=C/CC[C@H](O)/C=C/C=C/C	238003193	572912556	/nfs/dbraw/zinc/91/25/56/572912556.db2.gz	CBZQQHXUWOBFDR-VHSDKUPBSA-N	0	0	178.275	3.002	10	0		AGAERN
C/C=C/C=C/C(C)=C/C=C/[C@H](C)O	238000290	572912569	/nfs/dbraw/zinc/91/25/69/572912569.db2.gz	ODNRZHPKDWAYIV-FRCWCQHDSA-N	0	0	178.275	3.002	10	0		AGAERN
C/C=C/CC(C)(C/C=C/C)[C@H](C)O	238008185	572912629	/nfs/dbraw/zinc/91/26/29/572912629.db2.gz	QALCWFKSKCBAJD-SGYZHOPZSA-N	0	0	182.307	3.306	10	0		AGAERN
C/C=C/C=C/[C@H](CCO)C(C)(C)C	238004421	572912666	/nfs/dbraw/zinc/91/26/66/572912666.db2.gz	WDMLLOKLWLQTDM-NDFPEFBHSA-N	0	0	182.307	3.163	10	0		AGAERN
C/C=C/C=C/CCCC/C=C/CO	238001305	572912684	/nfs/dbraw/zinc/91/26/84/572912684.db2.gz	INVYSRUJDMMTTE-RJWGSBCOSA-N	0	0	180.291	3.228	10	0		AGAERN
C1=C[C@@H](c2ccc[nH]2)c2ccccc2C1	238005074	572912712	/nfs/dbraw/zinc/91/27/12/572912712.db2.gz	WASMMNYQBWYBFY-CYBMUJFWSA-N	0	0	195.265	3.259	10	0		AGAERN
C/C=C/C=C/C(C)=C/C=C/[C@@H](C)O	238000256	572912964	/nfs/dbraw/zinc/91/29/64/572912964.db2.gz	ODNRZHPKDWAYIV-BQAOLHFASA-N	0	0	178.275	3.002	10	0		AGAERN
C1=Nc2occ(-c3ccccc3)c2NC1	238000298	572913060	/nfs/dbraw/zinc/91/30/60/572913060.db2.gz	XBQUEXAXEYJWED-UHFFFAOYSA-N	0	0	198.225	3.074	10	0		AGAERN
C/C=C/C=C/C=C/CCC/C=C/CO	238000654	572913223	/nfs/dbraw/zinc/91/32/23/572913223.db2.gz	ZAIHCIPLWOAYJA-YWPBSVAASA-N	0	0	192.302	3.394	10	0		AGAERN
CCCCC(=O)CCC[C@H]1CCCO1	86315045	572913250	/nfs/dbraw/zinc/91/32/50/572913250.db2.gz	NLMVZXYHWOVRMI-LBPRGKRZSA-N	0	0	198.306	3.095	10	0		AGAERN
CCCCC(=O)C[C@H](C)CC	86314981	572913282	/nfs/dbraw/zinc/91/32/82/572913282.db2.gz	DNPDGPFLKOOIEB-SECBINFHSA-N	0	0	156.269	3.182	10	0		AGAERN
C/C(=C\C[Si](C)(C)C)CCCO	238039477	572913310	/nfs/dbraw/zinc/91/33/10/572913310.db2.gz	WWBMFBYNDXCCKG-JXMROGBWSA-N	0	0	186.371	3.043	10	0		AGAERN
C1=C[C@H](c2ccc[nH]2)c2ccccc2C1	238005318	572913466	/nfs/dbraw/zinc/91/34/66/572913466.db2.gz	WASMMNYQBWYBFY-ZDUSSCGKSA-N	0	0	195.265	3.259	10	0		AGAERN
CC(=O)[C@H](CCCCCF)C(C)C	308187931	572913655	/nfs/dbraw/zinc/91/36/55/572913655.db2.gz	LHLOUWMZHSYSTC-LLVKDONJSA-N	0	0	188.286	3.378	10	0		AGAERN
CCCCC(=O)CCc1ccsc1	86314990	572913914	/nfs/dbraw/zinc/91/39/14/572913914.db2.gz	RRWRWZWTFWJORM-UHFFFAOYSA-N	0	0	196.315	3.440	10	0		AGAERN
Cc1cc(C)c(C)c(C(C)(C)O)c1C	57488691	572914216	/nfs/dbraw/zinc/91/42/16/572914216.db2.gz	ZYHRXQZZBMKZJP-UHFFFAOYSA-N	0	0	192.302	3.148	10	0		AGAERN
CCCCc1nc(Cl)cc(CC)n1	86314943	572914277	/nfs/dbraw/zinc/91/42/77/572914277.db2.gz	CPSCXMUZLQBREA-UHFFFAOYSA-N	0	0	198.697	3.035	10	0		AGAERN
Cc1nc(C)c(-c2cccs2)s1	57489754	572914381	/nfs/dbraw/zinc/91/43/81/572914381.db2.gz	DAYJCCYNPKHYOI-UHFFFAOYSA-N	0	0	195.312	3.488	10	0		AGAERN
CC[C@H](C)c1ccc(C(C)(C)O)cc1	57488678	572914396	/nfs/dbraw/zinc/91/43/96/572914396.db2.gz	UQAXVZHQNKDTRP-JTQLQIEISA-N	0	0	192.302	3.428	10	0		AGAERN
CC[C@@H](C)c1ccc(C(C)(C)O)cc1	57488675	572914456	/nfs/dbraw/zinc/91/44/56/572914456.db2.gz	UQAXVZHQNKDTRP-SNVBAGLBSA-N	0	0	192.302	3.428	10	0		AGAERN
CC(=O)[C@@H](CCCCCF)C(C)C	308187932	572914497	/nfs/dbraw/zinc/91/44/97/572914497.db2.gz	LHLOUWMZHSYSTC-NSHDSACASA-N	0	0	188.286	3.378	10	0		AGAERN
CCCCC(=O)CCC[C@@H]1CCCO1	86315044	572914502	/nfs/dbraw/zinc/91/45/02/572914502.db2.gz	NLMVZXYHWOVRMI-GFCCVEGCSA-N	0	0	198.306	3.095	10	0		AGAERN
CCCCC(=O)c1csc(C)c1	86315015	572914564	/nfs/dbraw/zinc/91/45/64/572914564.db2.gz	FXCJPRPZJSYZLZ-UHFFFAOYSA-N	0	0	182.288	3.429	10	0		AGAERN
Cc1ncoc1-c1ccccc1Cl	57489171	572915134	/nfs/dbraw/zinc/91/51/34/572915134.db2.gz	LFYNAIIWGFRTAV-UHFFFAOYSA-N	0	0	193.633	3.303	10	0		AGAERN
Cc1ncsc1-c1ccc(F)cc1	57488839	572914748	/nfs/dbraw/zinc/91/47/48/572914748.db2.gz	SAGMTCREGLLVMR-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
Cc1ccc(CCC(C)(C)O)cc1C	57488665	572915138	/nfs/dbraw/zinc/91/51/38/572915138.db2.gz	AJNDYTXYSVWXPY-UHFFFAOYSA-N	0	0	192.302	3.007	10	0		AGAERN
Cc1cc(-c2cscn2)ccc1F	57488842	572914990	/nfs/dbraw/zinc/91/49/90/572914990.db2.gz	RETHQPFMCUEMIY-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
Cc1ncsc1-c1ccccc1F	57488836	572915045	/nfs/dbraw/zinc/91/50/45/572915045.db2.gz	JMTKALKIDJEBQQ-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
Cc1nc(-c2ccc(Cl)s2)co1	57490641	572915120	/nfs/dbraw/zinc/91/51/20/572915120.db2.gz	LVPZRBHLLQZAIU-UHFFFAOYSA-N	0	0	199.662	3.365	10	0		AGAERN
C/C=C(/CCO)CCC=C(C)C	237984808	572915390	/nfs/dbraw/zinc/91/53/90/572915390.db2.gz	GTFFDXXUNPEPSU-NYYWCZLTSA-N	0	0	168.280	3.062	10	0		AGAERN
Cc1ccccc1[C@@H](CO)CC(C)C	86337155	572915729	/nfs/dbraw/zinc/91/57/29/572915729.db2.gz	KXEKMUIENGXWOD-GFCCVEGCSA-N	0	0	192.302	3.117	10	0		AGAERN
C1=C[C@@H]2CCc3cccc4[nH]c(c2c34)C1	237991792	572916334	/nfs/dbraw/zinc/91/63/34/572916334.db2.gz	XYDSLBKLOJBICC-SNVBAGLBSA-N	0	0	195.265	3.310	10	0		AGAERN
c1ccc([C@@H]2CCc3[nH]ccc3C2)cc1	238037245	572916479	/nfs/dbraw/zinc/91/64/79/572916479.db2.gz	SSBWSZBSQAZWBG-GFCCVEGCSA-N	0	0	197.281	3.287	10	0		AGAERN
CCCCC(=O)CCC(F)(F)F	86315071	572916529	/nfs/dbraw/zinc/91/65/29/572916529.db2.gz	VDWGDAPBQODUAB-UHFFFAOYSA-N	0	0	182.185	3.088	10	0		AGAERN
C/C(=C\Cl)COCc1ccccc1	238044357	572916595	/nfs/dbraw/zinc/91/65/95/572916595.db2.gz	PNZVAHPKYIULEF-JXMROGBWSA-N	0	0	196.677	3.346	10	0		AGAERN
CCCC[C@@H](CO)c1ccccc1C	86337135	572916636	/nfs/dbraw/zinc/91/66/36/572916636.db2.gz	WAMHCVVAALHPSW-LBPRGKRZSA-N	0	0	192.302	3.261	10	0		AGAERN
CC(C)c1ncc(C(F)(F)F)s1	168386485	572916812	/nfs/dbraw/zinc/91/68/12/572916812.db2.gz	FBVUMNQJZACAQI-UHFFFAOYSA-N	0	0	195.209	3.285	10	0		AGAERN
C/C=C/C(C)=C\[C@@H](C)[C@H](O)/C=C/C	238037771	572916939	/nfs/dbraw/zinc/91/69/39/572916939.db2.gz	GWROKAVQVKRDEH-ZZEQQNIVSA-N	0	0	180.291	3.082	10	0		AGAERN
C=CC[C@@H](C=C)c1ccc(C=O)cc1	238084544	572917306	/nfs/dbraw/zinc/91/73/06/572917306.db2.gz	CMNHVPGIAMVNPO-GFCCVEGCSA-N	0	0	186.254	3.345	10	0		AGAERN
Cc1ccccc1[C@H](CO)CC(C)C	86337153	572917337	/nfs/dbraw/zinc/91/73/37/572917337.db2.gz	KXEKMUIENGXWOD-LBPRGKRZSA-N	0	0	192.302	3.117	10	0		AGAERN
CCC[C@@](O)(CCC(C)C)C1CC1	308188278	572917433	/nfs/dbraw/zinc/91/74/33/572917433.db2.gz	LKPURWKDOPUFEA-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
C/C(=C\CCCO)C[Si](C)(C)C	238046941	572917736	/nfs/dbraw/zinc/91/77/36/572917736.db2.gz	NBADNNDALKJUCX-JXMROGBWSA-N	0	0	186.371	3.043	10	0		AGAERN
C/C(C/C=C/CO)=C(/C)[Si](C)(C)C	238046991	572917743	/nfs/dbraw/zinc/91/77/43/572917743.db2.gz	DAKFNKADTRYFNU-MVQNEBOGSA-N	0	0	198.382	3.139	10	0		AGAERN
C1=C[C@@H](c2ccc[nH]2)Cc2ccccc21	238050319	572918027	/nfs/dbraw/zinc/91/80/27/572918027.db2.gz	JNWMZFHFICKVGB-CYBMUJFWSA-N	0	0	195.265	3.368	10	0		AGAERN
C/C=C(/C)C[C@@H](CO)c1ccccc1	238061020	572918227	/nfs/dbraw/zinc/91/82/27/572918227.db2.gz	HEYANJJEHSRHJL-WVVNNJFASA-N	0	0	190.286	3.119	10	0		AGAERN
C/C=C/C(C)=C\[C@@H](C)[C@@H](O)/C=C/C	238058552	572918285	/nfs/dbraw/zinc/91/82/85/572918285.db2.gz	GWROKAVQVKRDEH-VNMVBNTHSA-N	0	0	180.291	3.082	10	0		AGAERN
C1=C[C@H](c2ccc[nH]2)Cc2ccccc21	238049929	572918308	/nfs/dbraw/zinc/91/83/08/572918308.db2.gz	JNWMZFHFICKVGB-ZDUSSCGKSA-N	0	0	195.265	3.368	10	0		AGAERN
CCCc1c(N)noc1[C@@H](C)CCC	86326197	572920268	/nfs/dbraw/zinc/92/02/68/572920268.db2.gz	JNWYYSXBMCWAKL-QMMMGPOBSA-N	0	0	196.294	3.113	10	0		AGAERN
CC(=O)Nc1c(C)cc2cccccc1-2	238067098	572918375	/nfs/dbraw/zinc/91/83/75/572918375.db2.gz	XYPUEBPXEVEXIZ-UHFFFAOYSA-N	0	0	199.253	3.058	10	0		AGAERN
C/C=C/[C@H]([NH2+]C(C)C)c1ccccc1	238053250	572918605	/nfs/dbraw/zinc/91/86/05/572918605.db2.gz	XSSRJORIVPTEPI-GBVBUYCNSA-N	0	0	189.302	3.302	10	0		AGAERN
C1=Nc2c(-c3ccccc3)coc2NC1	238049986	572918918	/nfs/dbraw/zinc/91/89/18/572918918.db2.gz	YSHUKHWTSITUCJ-UHFFFAOYSA-N	0	0	198.225	3.074	10	0		AGAERN
C/C=C(/C)CCc1cccc(CO)c1	238060559	572918852	/nfs/dbraw/zinc/91/88/52/572918852.db2.gz	PBMGZHCFKOEUJU-JYOAFUTRSA-N	0	0	190.286	3.078	10	0		AGAERN
C=C/C=C\CCC(=O)[C@@H](C)C(C)C	713636569	572918965	/nfs/dbraw/zinc/91/89/65/572918965.db2.gz	YOXDAZLRAKSMTI-ZADCQDASSA-N	0	0	180.291	3.370	10	0		AGAERN
C/C=C(/C)C/C=C(/C)C[C@H](C)O	238059607	572919005	/nfs/dbraw/zinc/91/90/05/572919005.db2.gz	RXCHMGHLAVFONW-VVJUQRBKSA-N	0	0	168.280	3.060	10	0		AGAERN
c1ccc2c(OC3CCC3)cncc2c1	238054004	572919016	/nfs/dbraw/zinc/91/90/16/572919016.db2.gz	ODZUOQDQKSWDIS-UHFFFAOYSA-N	0	0	199.253	3.166	10	0		AGAERN
C/C=C(/C)CC[C@H](O)C1CCCC1	238060355	572919310	/nfs/dbraw/zinc/91/93/10/572919310.db2.gz	SELQTHBPSSCROG-FALLNDSDSA-N	0	0	182.307	3.284	10	0		AGAERN
C/C=C/C(C)=C\[C@H](C)[C@@H](O)/C=C/C	238056968	572919344	/nfs/dbraw/zinc/91/93/44/572919344.db2.gz	GWROKAVQVKRDEH-LUISEJFHSA-N	0	0	180.291	3.082	10	0		AGAERN
c1cc2c3c(c4c(c2[nH]1)CCC4)CCC3	238054294	572919356	/nfs/dbraw/zinc/91/93/56/572919356.db2.gz	CNXBNXFJRCVSBP-UHFFFAOYSA-N	0	0	197.281	3.145	10	0		AGAERN
C/C=C/[C@H](O)C1=CCCCCCC1	238055222	572919419	/nfs/dbraw/zinc/91/94/19/572919419.db2.gz	STTILWRILIDJBU-ZRYFGALASA-N	0	0	180.291	3.204	10	0		AGAERN
C/C=C/[C@H]([C@@H](O)C1CC1)[Si](C)(C)C	238060636	572919504	/nfs/dbraw/zinc/91/95/04/572919504.db2.gz	FMADPTDFFCHURC-PVTPVBHGSA-N	0	0	198.382	3.042	10	0		AGAERN
c1cc(OC2CCC2)c2ccncc2c1	238053731	572919537	/nfs/dbraw/zinc/91/95/37/572919537.db2.gz	JRZICHPWMCVYKT-UHFFFAOYSA-N	0	0	199.253	3.166	10	0		AGAERN
C/C=C(/C)CC[C@@H](O)C1CCCC1	238060090	572919542	/nfs/dbraw/zinc/91/95/42/572919542.db2.gz	SELQTHBPSSCROG-UOLPYZNQSA-N	0	0	182.307	3.284	10	0		AGAERN
c1cc(OC2CCC2)c2cnccc2c1	238053590	572919565	/nfs/dbraw/zinc/91/95/65/572919565.db2.gz	MVAVKYLXZNJXEV-UHFFFAOYSA-N	0	0	199.253	3.166	10	0		AGAERN
C/C=C/[C@H](O)c1cccc2ccccc12	238060224	572919735	/nfs/dbraw/zinc/91/97/35/572919735.db2.gz	SCYXUYQIFHLPNM-XCVZWFEFSA-N	0	0	198.265	3.449	10	0		AGAERN
C/C=C/[C@H](O)C/C=C/c1ccccc1	238054881	572919750	/nfs/dbraw/zinc/91/97/50/572919750.db2.gz	JVJLJVZQRHINDT-PBMBGYSFSA-N	0	0	188.270	3.027	10	0		AGAERN
c1ccc2c(c1)cc1n2Cc2ccoc2-1	238051298	572919906	/nfs/dbraw/zinc/91/99/06/572919906.db2.gz	GSNVHWPTEWMYBU-UHFFFAOYSA-N	0	0	195.221	3.263	10	0		AGAERN
C[C@H](C(=O)C1CCC1)c1ccccc1	235409656	572919942	/nfs/dbraw/zinc/91/99/42/572919942.db2.gz	OSCISLWKVIBFLC-JTQLQIEISA-N	0	0	188.270	3.159	10	0		AGAERN
CC(C)C[C@@H](C)[C@H](CO)C(C)(C)C	308192826	572920486	/nfs/dbraw/zinc/92/04/86/572920486.db2.gz	OWNPTMYAYKUVDI-MNOVXSKESA-N	0	0	186.339	3.323	10	0		AGAERN
CC[C@@H](CCc1ccccc1)C(C)=O	86353766	572920567	/nfs/dbraw/zinc/92/05/67/572920567.db2.gz	RXBHOAMCOYGHGC-ZDUSSCGKSA-N	0	0	190.286	3.234	10	0		AGAERN
CC(C)CC(=O)C(C1CC1)C1CC1	308192556	572920648	/nfs/dbraw/zinc/92/06/48/572920648.db2.gz	KMXKPNNIABOMRE-UHFFFAOYSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(C)C[C@H](C)[C@H](CO)C(C)(C)C	308192827	572920665	/nfs/dbraw/zinc/92/06/65/572920665.db2.gz	OWNPTMYAYKUVDI-QWRGUYRKSA-N	0	0	186.339	3.323	10	0		AGAERN
CC(C)C[C@H](C)[C@@H](CO)C(C)(C)C	308192828	572921003	/nfs/dbraw/zinc/92/10/03/572921003.db2.gz	OWNPTMYAYKUVDI-WDEREUQCSA-N	0	0	186.339	3.323	10	0		AGAERN
CCCc1c(N)noc1C(CC)CC	86326175	572921004	/nfs/dbraw/zinc/92/10/04/572921004.db2.gz	NBNOSFCVXZITSD-UHFFFAOYSA-N	0	0	196.294	3.113	10	0		AGAERN
C[C@H](C(=O)c1cc[nH]c1)c1ccccc1	235412029	572921302	/nfs/dbraw/zinc/92/13/02/572921302.db2.gz	SNETYQFGUWUBCX-JTQLQIEISA-N	0	0	199.253	3.001	10	0		AGAERN
CC[C@H](CCc1ccccc1)C(C)=O	86353768	572921314	/nfs/dbraw/zinc/92/13/14/572921314.db2.gz	RXBHOAMCOYGHGC-CYBMUJFWSA-N	0	0	190.286	3.234	10	0		AGAERN
C[C@](O)(C1=CCCCCC1)C1CC1	235414960	572921315	/nfs/dbraw/zinc/92/13/15/572921315.db2.gz	UQXNKEFWXJBGAC-LBPRGKRZSA-N	0	0	180.291	3.038	10	0		AGAERN
CCCc1c(N)noc1[C@H](C)CCC	86326200	572921349	/nfs/dbraw/zinc/92/13/49/572921349.db2.gz	JNWYYSXBMCWAKL-MRVPVSSYSA-N	0	0	196.294	3.113	10	0		AGAERN
CC(=O)[C@H]1CCCCCC=C1C	238073488	572921438	/nfs/dbraw/zinc/92/14/38/572921438.db2.gz	DVUKBKRSFKNPEZ-NSHDSACASA-N	0	0	166.264	3.102	10	0		AGAERN
C[C@](O)(C1=CCCCCCC1)C1CC1	235414994	572921719	/nfs/dbraw/zinc/92/17/19/572921719.db2.gz	VIPNLXSNQHMEEW-ZDUSSCGKSA-N	0	0	194.318	3.428	10	0		AGAERN
CCC[C@H](O)C[C@@H]1CCC[C@H](C)C1	86358916	572921775	/nfs/dbraw/zinc/92/17/75/572921775.db2.gz	BBVSLHFBHYKLBH-TUAOUCFPSA-N	0	0	184.323	3.364	10	0		AGAERN
O[C@@H](CCC1CCC1)c1ccccc1	86357987	572921789	/nfs/dbraw/zinc/92/17/89/572921789.db2.gz	QRTUCGWSORDARV-ZDUSSCGKSA-N	0	0	190.286	3.300	10	0		AGAERN
CC[C@@H](CCc1ccccc1)[C@@H](C)O	86358703	572921798	/nfs/dbraw/zinc/92/17/98/572921798.db2.gz	DSTSPDNUUGVOMQ-YPMHNXCESA-N	0	0	192.302	3.026	10	0		AGAERN
CC(C)C[C@@H](C)C(=O)[C@@H](C)C1CC1	308192796	572921861	/nfs/dbraw/zinc/92/18/61/572921861.db2.gz	OUXBAWSUBBYKBV-ZJUUUORDSA-N	0	0	182.307	3.284	10	0		AGAERN
CCSCCn1cc(C)c(C)c1C	308190627	572921992	/nfs/dbraw/zinc/92/19/92/572921992.db2.gz	NKUVUCPFOBPHHT-UHFFFAOYSA-N	0	0	197.347	3.166	10	0		AGAERN
CCC[C@H](O)C[C@H]1CCC[C@H](C)C1	86358921	572922006	/nfs/dbraw/zinc/92/20/06/572922006.db2.gz	BBVSLHFBHYKLBH-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
O[C@H](CCCC1CC1)c1ccccc1	86357936	572922065	/nfs/dbraw/zinc/92/20/65/572922065.db2.gz	AHWKHUBWEMMNQR-CYBMUJFWSA-N	0	0	190.286	3.300	10	0		AGAERN
CC[C@@H](CCc1ccccc1)[C@H](C)O	86358706	572922069	/nfs/dbraw/zinc/92/20/69/572922069.db2.gz	DSTSPDNUUGVOMQ-AAEUAGOBSA-N	0	0	192.302	3.026	10	0		AGAERN
Cc1cccc([C@@H](CO)CC(C)C)c1	86357338	572922106	/nfs/dbraw/zinc/92/21/06/572922106.db2.gz	RSWQTJBUIZNWGR-CYBMUJFWSA-N	0	0	192.302	3.117	10	0		AGAERN
CCCC[C@H](CO)c1cccc(C)c1	86357322	572922116	/nfs/dbraw/zinc/92/21/16/572922116.db2.gz	JRGIUTLMBSIQOF-CYBMUJFWSA-N	0	0	192.302	3.261	10	0		AGAERN
CCC1CCC(C[C@@H](O)CC)CC1	86359276	572922157	/nfs/dbraw/zinc/92/21/57/572922157.db2.gz	IBODBDQIJQOGRG-MCIGGMRASA-N	0	0	184.323	3.364	10	0		AGAERN
CC(=O)[C@@H](CCC1CC1)C(C)C	86356406	572922235	/nfs/dbraw/zinc/92/22/35/572922235.db2.gz	ALDZVXITWZZFSO-NSHDSACASA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)C[C@@H](C)[C@@H](CO)C(C)(C)C	308192825	572922282	/nfs/dbraw/zinc/92/22/82/572922282.db2.gz	OWNPTMYAYKUVDI-GHMZBOCLSA-N	0	0	186.339	3.323	10	0		AGAERN
CC[C@H](CCc1ccccc1)[C@@H](C)O	86358704	572922482	/nfs/dbraw/zinc/92/24/82/572922482.db2.gz	DSTSPDNUUGVOMQ-DGCLKSJQSA-N	0	0	192.302	3.026	10	0		AGAERN
CC(C)(C)[C@H](O)CCCC(F)(F)F	86359151	572922674	/nfs/dbraw/zinc/92/26/74/572922674.db2.gz	OZYKKKKGNWQYHC-SSDOTTSWSA-N	0	0	198.228	3.126	10	0		AGAERN
CC(=O)[C@@H](CCC(F)(F)F)C(C)C	86356421	572922782	/nfs/dbraw/zinc/92/27/82/572922782.db2.gz	JQQSFRLEVKTRMK-QMMMGPOBSA-N	0	0	196.212	3.190	10	0		AGAERN
CCC[C@H](O)CC1CCC(C)CC1	86358913	572922793	/nfs/dbraw/zinc/92/27/93/572922793.db2.gz	YDHPVVWQZYGBDK-MCIGGMRASA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@@H](O)CC1CCC(C)CC1	86358914	572922827	/nfs/dbraw/zinc/92/28/27/572922827.db2.gz	YDHPVVWQZYGBDK-HTAVTVPLSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)(C)[C@@H](O)CCCC(F)(F)F	86359152	572922912	/nfs/dbraw/zinc/92/29/12/572922912.db2.gz	OZYKKKKGNWQYHC-ZETCQYMHSA-N	0	0	198.228	3.126	10	0		AGAERN
CCC1CCC(C[C@H](O)CC)CC1	86359275	572922933	/nfs/dbraw/zinc/92/29/33/572922933.db2.gz	IBODBDQIJQOGRG-HTAVTVPLSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@@H]1C=CCCCC[C@H]1O	308194208	572923010	/nfs/dbraw/zinc/92/30/10/572923010.db2.gz	LLOLSSYOPGFYIS-VXGBXAGGSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(=O)[C@@H](CC1CCC1)C(C)C	86356318	572923031	/nfs/dbraw/zinc/92/30/31/572923031.db2.gz	GXNQSXLMJXVXEU-NSHDSACASA-N	0	0	168.280	3.038	10	0		AGAERN
CCCC[C@@H](CO)c1cccc(C)c1	86357320	572923059	/nfs/dbraw/zinc/92/30/59/572923059.db2.gz	JRGIUTLMBSIQOF-ZDUSSCGKSA-N	0	0	192.302	3.261	10	0		AGAERN
O[C@@H](CCCC1CC1)c1ccccc1	86357938	572923076	/nfs/dbraw/zinc/92/30/76/572923076.db2.gz	AHWKHUBWEMMNQR-ZDUSSCGKSA-N	0	0	190.286	3.300	10	0		AGAERN
CCCCC/C=C/[C@@H]1C=CC[C@H]1O	308194517	572923157	/nfs/dbraw/zinc/92/31/57/572923157.db2.gz	LPXMOWADSAEIQI-RQDOONKYSA-N	0	0	180.291	3.060	10	0		AGAERN
CC(=O)[C@H](CCC(F)(F)F)C(C)C	86356420	572923292	/nfs/dbraw/zinc/92/32/92/572923292.db2.gz	JQQSFRLEVKTRMK-MRVPVSSYSA-N	0	0	196.212	3.190	10	0		AGAERN
CC[C@H](CCc1ccccc1)[C@H](C)O	86358710	572923334	/nfs/dbraw/zinc/92/33/34/572923334.db2.gz	DSTSPDNUUGVOMQ-WCQYABFASA-N	0	0	192.302	3.026	10	0		AGAERN
CC(C)[C@H](O)[C@@H](C)CCC(C)(C)C	308194733	572923428	/nfs/dbraw/zinc/92/34/28/572923428.db2.gz	QBUVFPXUXVSAOW-QWRGUYRKSA-N	0	0	186.339	3.466	10	0		AGAERN
CC(C)[C@@H](O)[C@@H](C)CCC(C)(C)C	308194734	572923547	/nfs/dbraw/zinc/92/35/47/572923547.db2.gz	QBUVFPXUXVSAOW-WDEREUQCSA-N	0	0	186.339	3.466	10	0		AGAERN
CC(=O)[C@H](CC1CCC1)C(C)C	86356315	572923564	/nfs/dbraw/zinc/92/35/64/572923564.db2.gz	GXNQSXLMJXVXEU-LLVKDONJSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)[C@@H](O)[C@H](C)CCC(C)(C)C	308194731	572924924	/nfs/dbraw/zinc/92/49/24/572924924.db2.gz	QBUVFPXUXVSAOW-GHMZBOCLSA-N	0	0	186.339	3.466	10	0		AGAERN
CC[C@@H]1CCC[C@H](C[C@H](O)C2CC2)C1	86363324	572923975	/nfs/dbraw/zinc/92/39/75/572923975.db2.gz	RURRFTPEUXMYNY-MDZLAQPJSA-N	0	0	196.334	3.364	10	0		AGAERN
CCCC[C@H](CO)c1ccccc1F	86369328	572923982	/nfs/dbraw/zinc/92/39/82/572923982.db2.gz	XQHVNXHEHGSXIU-SNVBAGLBSA-N	0	0	196.265	3.092	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1C[C@H](O)C1CC1	86363051	572924133	/nfs/dbraw/zinc/92/41/33/572924133.db2.gz	MYTYKWQXGKXIMV-RTXFEEFZSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC1CCC(C[C@H](O)C2CC2)CC1	86363156	572924177	/nfs/dbraw/zinc/92/41/77/572924177.db2.gz	HKTROVOYSDOHAN-XIVSLSHWSA-N	0	0	196.334	3.364	10	0		AGAERN
CCCCC/C=C\[C@@H]1C=CC[C@H]1O	308194518	572924224	/nfs/dbraw/zinc/92/42/24/572924224.db2.gz	LPXMOWADSAEIQI-WAIVJAFWSA-N	0	0	180.291	3.060	10	0		AGAERN
CCCC[C@H](CO)c1cccc(F)c1	86367448	572924275	/nfs/dbraw/zinc/92/42/75/572924275.db2.gz	NHBVMCKQKMKUOY-LLVKDONJSA-N	0	0	196.265	3.092	10	0		AGAERN
CC(C)(C)c1ccc(C=O)cc1Cl	141181905	572924943	/nfs/dbraw/zinc/92/49/43/572924943.db2.gz	JDPBZPUEQCUOOY-UHFFFAOYSA-N	0	0	196.677	3.450	10	0		AGAERN
CCCC[C@@H](CO)c1ccc(C)cc1	86364341	572924403	/nfs/dbraw/zinc/92/44/03/572924403.db2.gz	AIRIBVGMQGYMCO-ZDUSSCGKSA-N	0	0	192.302	3.261	10	0		AGAERN
CCCCC/C=C\[C@@H]1C=CC[C@@H]1O	308194519	572924423	/nfs/dbraw/zinc/92/44/23/572924423.db2.gz	LPXMOWADSAEIQI-YYYFKNSJSA-N	0	0	180.291	3.060	10	0		AGAERN
Cc1cccc(CCC(C)C)c1O	141222784	572925325	/nfs/dbraw/zinc/92/53/25/572925325.db2.gz	UMUHNARDMPGHQG-UHFFFAOYSA-N	0	0	178.275	3.289	10	0		AGAERN
CC[C@@H]1CCC[C@@H](C[C@H](O)C2CC2)C1	86363329	572924665	/nfs/dbraw/zinc/92/46/65/572924665.db2.gz	RURRFTPEUXMYNY-WZRBSPASSA-N	0	0	196.334	3.364	10	0		AGAERN
CCCC[C@@H](CO)c1cccc(F)c1	86367446	572924709	/nfs/dbraw/zinc/92/47/09/572924709.db2.gz	NHBVMCKQKMKUOY-NSHDSACASA-N	0	0	196.265	3.092	10	0		AGAERN
c1ccc2c(c1)cnn2C1CCCC1	75937499	572924741	/nfs/dbraw/zinc/92/47/41/572924741.db2.gz	NIJFCWGQYBDWRB-UHFFFAOYSA-N	0	0	186.258	3.151	10	0		AGAERN
CCCC[C@H](CO)c1ccc(C)cc1	86364342	572924758	/nfs/dbraw/zinc/92/47/58/572924758.db2.gz	AIRIBVGMQGYMCO-CYBMUJFWSA-N	0	0	192.302	3.261	10	0		AGAERN
CCC1CCC(C[C@@H](O)C2CC2)CC1	86363158	572924787	/nfs/dbraw/zinc/92/47/87/572924787.db2.gz	HKTROVOYSDOHAN-GCZXYKMCSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)[C@H](O)[C@H](C)CCC(C)(C)C	308194732	572924815	/nfs/dbraw/zinc/92/48/15/572924815.db2.gz	QBUVFPXUXVSAOW-MNOVXSKESA-N	0	0	186.339	3.466	10	0		AGAERN
CC[C@@H]1CC[C@@H](O)[C@H](CCC2CC2)C1	86361565	572924849	/nfs/dbraw/zinc/92/48/49/572924849.db2.gz	CMJATLWFWWYEAL-RAIGVLPGSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC[C@@H]1CC[C@H](O)[C@H](CC2CC2)C1	86361826	572924878	/nfs/dbraw/zinc/92/48/78/572924878.db2.gz	JLXHQZIKVZULJD-WXHSDQCUSA-N	0	0	196.334	3.364	10	0		AGAERN
CCCCC/C=C/[C@@H]1C=CC[C@@H]1O	308194516	572924885	/nfs/dbraw/zinc/92/48/85/572924885.db2.gz	LPXMOWADSAEIQI-OWVOXGNYSA-N	0	0	180.291	3.060	10	0		AGAERN
CCC[C@H](CO)c1cccc(Cl)c1	86367437	572924912	/nfs/dbraw/zinc/92/49/12/572924912.db2.gz	ZQEPNNHCTMGSTI-SNVBAGLBSA-N	0	0	198.693	3.216	10	0		AGAERN
CCC[C@@H]1CC[C@@H](O)[C@H](CC2CC2)C1	86361831	572925442	/nfs/dbraw/zinc/92/54/42/572925442.db2.gz	JLXHQZIKVZULJD-KGYLQXTDSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC[C@@H](CO)c1cccc(Cl)c1	86367434	572924995	/nfs/dbraw/zinc/92/49/95/572924995.db2.gz	ZQEPNNHCTMGSTI-JTQLQIEISA-N	0	0	198.693	3.216	10	0		AGAERN
CCC[C@H]1CCNc2cc(O)ccc21	141205054	572925445	/nfs/dbraw/zinc/92/54/45/572925445.db2.gz	JICYVEOGNFERHO-VIFPVBQESA-N	0	0	191.274	3.092	10	0		AGAERN
CCC[C@@H]1CCNc2cc(O)ccc21	141204885	572925084	/nfs/dbraw/zinc/92/50/84/572925084.db2.gz	JICYVEOGNFERHO-SECBINFHSA-N	0	0	191.274	3.092	10	0		AGAERN
CCCC[C@@H](CO)c1ccccc1F	86369326	572925290	/nfs/dbraw/zinc/92/52/90/572925290.db2.gz	XQHVNXHEHGSXIU-JTQLQIEISA-N	0	0	196.265	3.092	10	0		AGAERN
CC[C@@H]1CC[C@H](O)[C@H](CCC2CC2)C1	86361561	572925425	/nfs/dbraw/zinc/92/54/25/572925425.db2.gz	CMJATLWFWWYEAL-RTXFEEFZSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@H]1CCCC[C@H]1C[C@H](O)C1CC1	86363056	572925430	/nfs/dbraw/zinc/92/54/30/572925430.db2.gz	MYTYKWQXGKXIMV-WXHSDQCUSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC(=O)CC[C@H]1Cc2ccccc21	86352971	572926168	/nfs/dbraw/zinc/92/61/68/572926168.db2.gz	JYLRSNZVXJFTRC-NSHDSACASA-N	0	0	188.270	3.086	10	0		AGAERN
Cc1ccc(O[C@H]2C=CCCC2)cc1	141279111	572926259	/nfs/dbraw/zinc/92/62/59/572926259.db2.gz	IHHMIBMKNXALTO-LBPRGKRZSA-N	0	0	188.270	3.483	10	0		AGAERN
C[C@@H]1Sc2ccccc2NC[C@H]1C	141155310	572926301	/nfs/dbraw/zinc/92/63/01/572926301.db2.gz	YORRSMAPFMDJPK-BDAKNGLRSA-N	0	0	193.315	3.229	10	0		AGAERN
CC[C@H](C(C)=O)C1=CCCCC1	141243861	572926342	/nfs/dbraw/zinc/92/63/42/572926342.db2.gz	AWJCVHSDJHAZLU-LLVKDONJSA-N	0	0	166.264	3.102	10	0		AGAERN
CCC/C=C/CC/C=C/CCCO	141163160	572926941	/nfs/dbraw/zinc/92/69/41/572926941.db2.gz	TWFKEFJRNHBUPW-KQWYESAVSA-N	0	0	182.307	3.452	10	0		AGAERN
CC(C)CCCCC[C@@H](C)CO	116794726	572926466	/nfs/dbraw/zinc/92/64/66/572926466.db2.gz	BDBWMURETNIJRS-LLVKDONJSA-N	0	0	172.312	3.221	10	0		AGAERN
COC(=O)[C@H]1CC[C@H](C(C)(C)C)CC1	168612559	572926475	/nfs/dbraw/zinc/92/64/75/572926475.db2.gz	BWJSSYBIZVGKBG-AOOOYVTPSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)(C)C(=O)CCCC(F)(F)F	86352785	572926558	/nfs/dbraw/zinc/92/65/58/572926558.db2.gz	VTAQZCBIXOSATH-UHFFFAOYSA-N	0	0	196.212	3.334	10	0		AGAERN
C[C@H]1CNc2ccccc2S[C@@H]1C	141155134	572926740	/nfs/dbraw/zinc/92/67/40/572926740.db2.gz	YORRSMAPFMDJPK-DTWKUNHWSA-N	0	0	193.315	3.229	10	0		AGAERN
C[C@H]1CNc2ccccc2S[C@H]1C	141155456	572926843	/nfs/dbraw/zinc/92/68/43/572926843.db2.gz	YORRSMAPFMDJPK-IUCAKERBSA-N	0	0	193.315	3.229	10	0		AGAERN
CC(C)CCCCC[C@H](C)CO	116794728	572926982	/nfs/dbraw/zinc/92/69/82/572926982.db2.gz	BDBWMURETNIJRS-NSHDSACASA-N	0	0	172.312	3.221	10	0		AGAERN
C/C(=C\C(C(C)C)C(C)C)[C@@H](C)O	308199189	572927129	/nfs/dbraw/zinc/92/71/29/572927129.db2.gz	TZXUJQWRPHGMIK-PFEDMVJOSA-N	0	0	184.323	3.242	10	0		AGAERN
CC(C)=C[C@H](O)C(C(C)C)C(C)C	308199197	572927367	/nfs/dbraw/zinc/92/73/67/572927367.db2.gz	UAAXLVYDKSXICY-NSHDSACASA-N	0	0	184.323	3.242	10	0		AGAERN
CC[C@@H](C(C)=O)C1=CCCCC1	141244044	572927477	/nfs/dbraw/zinc/92/74/77/572927477.db2.gz	AWJCVHSDJHAZLU-NSHDSACASA-N	0	0	166.264	3.102	10	0		AGAERN
CCC(=O)CC[C@@H]1Cc2ccccc21	86352969	572927505	/nfs/dbraw/zinc/92/75/05/572927505.db2.gz	JYLRSNZVXJFTRC-LLVKDONJSA-N	0	0	188.270	3.086	10	0		AGAERN
C/C(=C\C(C(C)C)C(C)C)[C@H](C)O	308199187	572927518	/nfs/dbraw/zinc/92/75/18/572927518.db2.gz	TZXUJQWRPHGMIK-HUYFXPKMSA-N	0	0	184.323	3.242	10	0		AGAERN
C/C(=C/C(C(C)C)C(C)C)[C@@H](C)O	308199191	572927547	/nfs/dbraw/zinc/92/75/47/572927547.db2.gz	TZXUJQWRPHGMIK-ZJRUKIMVSA-N	0	0	184.323	3.242	10	0		AGAERN
O=C(CCC1CCC1)c1ccccc1	86352348	572927757	/nfs/dbraw/zinc/92/77/57/572927757.db2.gz	FEGXSSIYWIIWPZ-UHFFFAOYSA-N	0	0	188.270	3.450	10	0		AGAERN
C=C/C=C/CCOc1ccccc1	199360620	572927813	/nfs/dbraw/zinc/92/78/13/572927813.db2.gz	MIZUQOVJZACCOC-ONEGZZNKSA-N	0	0	174.243	3.198	10	0		AGAERN
CC(C)=C(C)c1ccc(O)cc1	141253944	572927981	/nfs/dbraw/zinc/92/79/81/572927981.db2.gz	FJAHQRJFLMVUPD-UHFFFAOYSA-N	0	0	162.232	3.206	10	0		AGAERN
O=C(CCCC1CC1)c1ccccc1	86352356	572927992	/nfs/dbraw/zinc/92/79/92/572927992.db2.gz	FGZNSRGIOMWKSH-UHFFFAOYSA-N	0	0	188.270	3.450	10	0		AGAERN
c1ccc2c(c1)nc(C1CC1)n2C1CC1	75974282	572927931	/nfs/dbraw/zinc/92/79/31/572927931.db2.gz	FNEMLULJROTEKZ-UHFFFAOYSA-N	0	0	198.269	3.249	10	0		AGAERN
CCCCCC[C@]1(O)C[C@H](C)[C@H]1C	308200545	572928069	/nfs/dbraw/zinc/92/80/69/572928069.db2.gz	XXSCPHMIKZMFLX-TUAOUCFPSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@H]1CNc2ccccc2S[C@@H]1C	141154946	572928094	/nfs/dbraw/zinc/92/80/94/572928094.db2.gz	YORRSMAPFMDJPK-RKDXNWHRSA-N	0	0	193.315	3.229	10	0		AGAERN
CC[C@@](O)(C1CC1)[C@H](C)CC(C)C	308201947	572928365	/nfs/dbraw/zinc/92/83/65/572928365.db2.gz	VULWWAJYSXSLSI-PWSUYJOCSA-N	0	0	184.323	3.220	10	0		AGAERN
CCCCCC[C@]1(O)C[C@@H](C)[C@@H]1C	308200547	572928411	/nfs/dbraw/zinc/92/84/11/572928411.db2.gz	XXSCPHMIKZMFLX-WOPDTQHZSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)SCC(=O)[C@H](C)CC	86389026	572928468	/nfs/dbraw/zinc/92/84/68/572928468.db2.gz	FAULTSKUPGUYDD-BDAKNGLRSA-N	0	0	188.336	3.133	10	0		AGAERN
CC[C@H](C)[C@@H](O)[C@@H](C)c1ccccc1	86388140	572928513	/nfs/dbraw/zinc/92/85/13/572928513.db2.gz	PCIMHAUYEKNEQK-GMXVVIOVSA-N	0	0	192.302	3.197	10	0		AGAERN
CC[C@H](C)SCC(=O)[C@@H](C)CC	86389028	572928569	/nfs/dbraw/zinc/92/85/69/572928569.db2.gz	FAULTSKUPGUYDD-IUCAKERBSA-N	0	0	188.336	3.133	10	0		AGAERN
CC[C@@H](C)CC/C=C/C=C(\C)CO	308201540	572928632	/nfs/dbraw/zinc/92/86/32/572928632.db2.gz	QEIFFIPXKVOCCV-NPWSBJSGSA-N	0	0	182.307	3.308	10	0		AGAERN
CC[C@H](C)C(=O)CSC(C)(C)C	86389021	572928716	/nfs/dbraw/zinc/92/87/16/572928716.db2.gz	ABBIDDHLDKMOKJ-QMMMGPOBSA-N	0	0	188.336	3.133	10	0		AGAERN
CC[C@@H](C)[C@@](O)(CC)c1ccccc1	86387767	572928790	/nfs/dbraw/zinc/92/87/90/572928790.db2.gz	GZLQITCOTGMCPZ-YPMHNXCESA-N	0	0	192.302	3.330	10	0		AGAERN
CC[C@@](O)(C1CC1)[C@@H](C)CC(C)C	308201946	572928800	/nfs/dbraw/zinc/92/88/00/572928800.db2.gz	VULWWAJYSXSLSI-JQWIXIFHSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H](C)[C@](O)(CC)c1ccccc1	86387772	572928912	/nfs/dbraw/zinc/92/89/12/572928912.db2.gz	GZLQITCOTGMCPZ-WCQYABFASA-N	0	0	192.302	3.330	10	0		AGAERN
CCCCCC[C@]1(O)C[C@@H](C)[C@H]1C	308200546	572928920	/nfs/dbraw/zinc/92/89/20/572928920.db2.gz	XXSCPHMIKZMFLX-UTUOFQBUSA-N	0	0	184.323	3.364	10	0		AGAERN
C=CC[C@H](C=C)c1ccc(C=O)cc1	238092957	572928935	/nfs/dbraw/zinc/92/89/35/572928935.db2.gz	CMNHVPGIAMVNPO-LBPRGKRZSA-N	0	0	186.254	3.345	10	0		AGAERN
CC(=O)Nc1cccc2cccc(C)c12	238091727	572929257	/nfs/dbraw/zinc/92/92/57/572929257.db2.gz	DKWQPXNTPJFFGD-UHFFFAOYSA-N	0	0	199.253	3.107	10	0		AGAERN
CC[C@H](C)C(=O)CS[C@H](C)CC	86389031	572929276	/nfs/dbraw/zinc/92/92/76/572929276.db2.gz	FAULTSKUPGUYDD-DTWKUNHWSA-N	0	0	188.336	3.133	10	0		AGAERN
CC[C@@H](C)CC/C=C/C=C(/C)CO	308201538	572929308	/nfs/dbraw/zinc/92/93/08/572929308.db2.gz	QEIFFIPXKVOCCV-BOIVNKNUSA-N	0	0	182.307	3.308	10	0		AGAERN
CC[C@@H](C)[C@](O)(CC)c1ccccc1	86387771	572929309	/nfs/dbraw/zinc/92/93/09/572929309.db2.gz	GZLQITCOTGMCPZ-DGCLKSJQSA-N	0	0	192.302	3.330	10	0		AGAERN
CC[C@@H](C)C(=O)CSC(C)(C)C	86389019	572929312	/nfs/dbraw/zinc/92/93/12/572929312.db2.gz	ABBIDDHLDKMOKJ-MRVPVSSYSA-N	0	0	188.336	3.133	10	0		AGAERN
CC[C@H](C)C(=O)[C@@H]1CC[C@@H](CC)C1	86389121	572929385	/nfs/dbraw/zinc/92/93/85/572929385.db2.gz	RYPQHGCWPWQASM-HBNTYKKESA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)C(C(C)C)[C@@H](O)CC1CC1	308201337	572929425	/nfs/dbraw/zinc/92/94/25/572929425.db2.gz	VLPUYUWHHVTMTQ-NSHDSACASA-N	0	0	184.323	3.076	10	0		AGAERN
CC[C@H](C)[C@H](O)[C@@H](C)c1ccccc1	86388136	572929426	/nfs/dbraw/zinc/92/94/26/572929426.db2.gz	PCIMHAUYEKNEQK-GVXVVHGQSA-N	0	0	192.302	3.197	10	0		AGAERN
CC[C@H](C)C(=O)[C@H]1CC[C@@H](CC)C1	86389117	572929472	/nfs/dbraw/zinc/92/94/72/572929472.db2.gz	RYPQHGCWPWQASM-AXFHLTTASA-N	0	0	182.307	3.428	10	0		AGAERN
CCc1ccccc1[C@@H](O)[C@H](C)CC	86388094	572929523	/nfs/dbraw/zinc/92/95/23/572929523.db2.gz	NKDDBXBLTUCMHX-MFKMUULPSA-N	0	0	192.302	3.329	10	0		AGAERN
CCc1ccccc1[C@H](O)[C@H](C)CC	86388093	572929528	/nfs/dbraw/zinc/92/95/28/572929528.db2.gz	NKDDBXBLTUCMHX-ZWNOBZJWSA-N	0	0	192.302	3.329	10	0		AGAERN
CCc1ccccc1[C@@H](O)[C@@H](C)CC	86388090	572929570	/nfs/dbraw/zinc/92/95/70/572929570.db2.gz	NKDDBXBLTUCMHX-GWCFXTLKSA-N	0	0	192.302	3.329	10	0		AGAERN
CC[C@H](C)[C@@H](O)[C@H]1CC[C@@H](CC)C1	86389930	572929595	/nfs/dbraw/zinc/92/95/95/572929595.db2.gz	ANDIIJVTRTVGFW-WHOHXGKFSA-N	0	0	184.323	3.220	10	0		AGAERN
CCc1ccccc1[C@H](O)[C@@H](C)CC	86388088	572929692	/nfs/dbraw/zinc/92/96/92/572929692.db2.gz	NKDDBXBLTUCMHX-GXFFZTMASA-N	0	0	192.302	3.329	10	0		AGAERN
CC[C@H](C)[C@@](O)(CC)c1ccccc1	86387769	572929715	/nfs/dbraw/zinc/92/97/15/572929715.db2.gz	GZLQITCOTGMCPZ-AAEUAGOBSA-N	0	0	192.302	3.330	10	0		AGAERN
CC(C)C[C@H](C)C(=O)[C@@H]1CC1(C)C	308201016	572929728	/nfs/dbraw/zinc/92/97/28/572929728.db2.gz	VELYZDDRWFIJCZ-UWVGGRQHSA-N	0	0	182.307	3.284	10	0		AGAERN
CC[C@@H](C)SCC(=O)[C@H](C)CC	86389029	572929844	/nfs/dbraw/zinc/92/98/44/572929844.db2.gz	FAULTSKUPGUYDD-RKDXNWHRSA-N	0	0	188.336	3.133	10	0		AGAERN
CC(C)C[C@@H](C)C(=O)[C@H]1CC1(C)C	308201015	572929889	/nfs/dbraw/zinc/92/98/89/572929889.db2.gz	VELYZDDRWFIJCZ-NXEZZACHSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(=O)Nc1cc(C)c2ccccc2c1	238108401	572930417	/nfs/dbraw/zinc/93/04/17/572930417.db2.gz	YIIIUNLQNLKNHO-UHFFFAOYSA-N	0	0	199.253	3.107	10	0		AGAERN
CCCCC[C@]1(O)CCC[C@H]2C[C@H]21	308203089	572930876	/nfs/dbraw/zinc/93/08/76/572930876.db2.gz	FZZDKOQMGCERTL-TUAOUCFPSA-N	0	0	182.307	3.118	10	0		AGAERN
COc1cccc2c(C(C)C)c[nH]c12	234902476	572930848	/nfs/dbraw/zinc/93/08/48/572930848.db2.gz	YUDYTZQLQPGHGX-UHFFFAOYSA-N	0	0	189.258	3.300	10	0		AGAERN
CC(C)/C=C(/C=C/[C@H](C)O)C(C)C	238108249	572931167	/nfs/dbraw/zinc/93/11/67/572931167.db2.gz	MQJZRTSPXURGGU-FQWWSICQSA-N	0	0	182.307	3.162	10	0		AGAERN
CC(C)=CC[C@H](C)[C@H](C)/C=C\CO	308202374	572931279	/nfs/dbraw/zinc/93/12/79/572931279.db2.gz	QSBKNJOIMXYMJP-DUVUQDDDSA-N	0	0	182.307	3.163	10	0		AGAERN
CCC[C@H](C)Sc1cc[nH]c(=O)c1	308202954	572931333	/nfs/dbraw/zinc/93/13/33/572931333.db2.gz	QZXATQKQSNYAIE-QMMMGPOBSA-N	0	0	197.303	3.068	10	0		AGAERN
O=C(CCCCF)c1ccccc1	88025971	572931550	/nfs/dbraw/zinc/93/15/50/572931550.db2.gz	OBCCTGFUFCFLAR-UHFFFAOYSA-N	0	0	180.222	3.009	10	0		AGAERN
CC[C@H](CC1(C)CCCC1)[C@H](C)O	308203420	572931647	/nfs/dbraw/zinc/93/16/47/572931647.db2.gz	RGVRIDSRWKCHQZ-WDEREUQCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCCC[C@]1(O)CCC[C@@H]2C[C@@H]21	308203112	572931929	/nfs/dbraw/zinc/93/19/29/572931929.db2.gz	FZZDKOQMGCERTL-WOPDTQHZSA-N	0	0	182.307	3.118	10	0		AGAERN
C=CNc1ccc2c3c(cccc13)CC2	238102435	572932086	/nfs/dbraw/zinc/93/20/86/572932086.db2.gz	REXZIYMOPQDQPY-UHFFFAOYSA-N	0	0	195.265	3.494	10	0		AGAERN
CC[C@@H](CC1(C)CCCC1)[C@@H](C)O	308203417	572932196	/nfs/dbraw/zinc/93/21/96/572932196.db2.gz	RGVRIDSRWKCHQZ-MNOVXSKESA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](CC1(C)CCCC1)[C@@H](C)O	308203416	572932222	/nfs/dbraw/zinc/93/22/22/572932222.db2.gz	RGVRIDSRWKCHQZ-GHMZBOCLSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H]1CCC(=O)[C@@H](CCCF)C1	88025998	572932255	/nfs/dbraw/zinc/93/22/55/572932255.db2.gz	AVNXBYLCBGCVGM-UWVGGRQHSA-N	0	0	186.270	3.132	10	0		AGAERN
CC[C@@H](CC1(C)CCCC1)[C@H](C)O	308203418	572932274	/nfs/dbraw/zinc/93/22/74/572932274.db2.gz	RGVRIDSRWKCHQZ-QWRGUYRKSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H]1CCC(=O)[C@H](CCCF)C1	88025996	572932631	/nfs/dbraw/zinc/93/26/31/572932631.db2.gz	AVNXBYLCBGCVGM-VHSXEESVSA-N	0	0	186.270	3.132	10	0		AGAERN
CC1(CC[C@@H](O)C2CC2)CCCC1	308204110	572932690	/nfs/dbraw/zinc/93/26/90/572932690.db2.gz	RRPVFODXLYCHNE-LLVKDONJSA-N	0	0	182.307	3.118	10	0		AGAERN
CCC[C@@](O)(C1CCCC1)C1CC1	308204869	572932902	/nfs/dbraw/zinc/93/29/02/572932902.db2.gz	XYMLQGUPSGDFBH-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@@H]1CCC(=O)[C@@H](CCCF)C1	88025997	572933128	/nfs/dbraw/zinc/93/31/28/572933128.db2.gz	AVNXBYLCBGCVGM-ZJUUUORDSA-N	0	0	186.270	3.132	10	0		AGAERN
CC(C)Cc1ccc2c(c1)C[C@@H](C)N2	713780967	572933691	/nfs/dbraw/zinc/93/36/91/572933691.db2.gz	OQBHMDAANAFRKX-SNVBAGLBSA-N	0	0	189.302	3.242	10	0		AGAERN
CCC(C)(C)CCCC[C@H](C)O	116789155	572933947	/nfs/dbraw/zinc/93/39/47/572933947.db2.gz	WLKPFZWJTXZFOR-JTQLQIEISA-N	0	0	172.312	3.364	10	0		AGAERN
C=C/C=C\CC[C@H](O)c1coc(C)c1	713641539	572934012	/nfs/dbraw/zinc/93/40/12/572934012.db2.gz	ZXIWEPVLJHWHKQ-RXNFCKPNSA-N	0	0	192.258	3.144	10	0		AGAERN
Cc1ccc(C)c(OCCCF)c1	88027222	572934711	/nfs/dbraw/zinc/93/47/11/572934711.db2.gz	YLZQSVDAJPMICU-UHFFFAOYSA-N	0	0	182.238	3.042	10	0		AGAERN
CCC[C@](O)(C1CCCC1)C1CC1	308204870	572934059	/nfs/dbraw/zinc/93/40/59/572934059.db2.gz	XYMLQGUPSGDFBH-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
CCCCCC[C@H](C)CCCO	116790427	572934250	/nfs/dbraw/zinc/93/42/50/572934250.db2.gz	CHZLPOXCLAVPRG-NSHDSACASA-N	0	0	172.312	3.365	10	0	in-vitro	AGAERN
CCCCCC(C)(C)CCCO	116789034	572934503	/nfs/dbraw/zinc/93/45/03/572934503.db2.gz	RJDDCRQKRAOTNZ-UHFFFAOYSA-N	0	0	172.312	3.365	10	0		AGAERN
CC(=O)Nc1ccc2ccc(C)cc2c1	238118983	572934577	/nfs/dbraw/zinc/93/45/77/572934577.db2.gz	UQVMNEPUAPSIOC-UHFFFAOYSA-N	0	0	199.253	3.107	10	0		AGAERN
c1ccc2c(c1)N[C@H]1[C@H]3CCCC[C@@H]3[C@@H]21	238107682	572934777	/nfs/dbraw/zinc/93/47/77/572934777.db2.gz	WNTTXLWEJCEEBW-NUZBWSBOSA-N	0	0	199.297	3.384	10	0		AGAERN
CCC(C)(C)CCCC[C@@H](C)O	116789152	572934779	/nfs/dbraw/zinc/93/47/79/572934779.db2.gz	WLKPFZWJTXZFOR-SNVBAGLBSA-N	0	0	172.312	3.364	10	0		AGAERN
CC[C@@H](C)[C@@H](O)C(C(C)C)C(C)C	308206690	572935135	/nfs/dbraw/zinc/93/51/35/572935135.db2.gz	ZKAUBLHJJROWSG-ZYHUDNBSSA-N	0	0	186.339	3.322	10	0		AGAERN
c1ccc2c(c1)N[C@@H]1[C@H]2[C@H]2CCCC[C@H]21	238106350	572934836	/nfs/dbraw/zinc/93/48/36/572934836.db2.gz	WNTTXLWEJCEEBW-DJBIQUGXSA-N	0	0	199.297	3.384	10	0		AGAERN
c1ccc2c(c1)N[C@H]1[C@H]2[C@H]2CCCC[C@H]21	238106369	572934967	/nfs/dbraw/zinc/93/49/67/572934967.db2.gz	WNTTXLWEJCEEBW-GIFSMMMISA-N	0	0	199.297	3.384	10	0		AGAERN
CC[C@H](C)[C@H](O)C(C(C)C)C(C)C	308206686	572934978	/nfs/dbraw/zinc/93/49/78/572934978.db2.gz	ZKAUBLHJJROWSG-JQWIXIFHSA-N	0	0	186.339	3.322	10	0		AGAERN
C=C/C=C/CC[C@@](C)(O)C1CCC1	713641468	572935029	/nfs/dbraw/zinc/93/50/29/572935029.db2.gz	ZRQMLRXYRPJSGV-ZYOFXKKJSA-N	0	0	180.291	3.060	10	0		AGAERN
CCCCC(=O)c1sccc1OC	88029021	572935070	/nfs/dbraw/zinc/93/50/70/572935070.db2.gz	MGQPXHKANRDVOZ-UHFFFAOYSA-N	0	0	198.287	3.130	10	0		AGAERN
CC[C@H](C)[C@@H](O)C(C(C)C)C(C)C	308206684	572935301	/nfs/dbraw/zinc/93/53/01/572935301.db2.gz	ZKAUBLHJJROWSG-CMPLNLGQSA-N	0	0	186.339	3.322	10	0		AGAERN
CCCCC(/C=C/C(N)=O)CCCC	211676120	572935390	/nfs/dbraw/zinc/93/53/90/572935390.db2.gz	UBJGNPVYTKDDAI-MDZDMXLPSA-N	0	0	197.322	3.025	10	0		AGAERN
CCCc1ccccc1NCCCF	88024738	572935392	/nfs/dbraw/zinc/93/53/92/572935392.db2.gz	FHJJMVSPJCGEAE-UHFFFAOYSA-N	0	0	195.281	3.411	10	0		AGAERN
CCC[C@@](O)(c1cccs1)C1CC1	308206472	572935435	/nfs/dbraw/zinc/93/54/35/572935435.db2.gz	ZDNIQWPAJLAFQN-NSHDSACASA-N	0	0	196.315	3.146	10	0		AGAERN
CC(C)CCCC[C@H](C)CCO	116790210	572935451	/nfs/dbraw/zinc/93/54/51/572935451.db2.gz	GSCYVZIYAQRZKG-NSHDSACASA-N	0	0	172.312	3.221	10	0		AGAERN
CCCCCC[C@@H](C)CCCO	116790424	572935619	/nfs/dbraw/zinc/93/56/19/572935619.db2.gz	CHZLPOXCLAVPRG-LLVKDONJSA-N	0	0	172.312	3.365	10	0	in-vitro	AGAERN
C=C/C=C\CC[C@](C)(O)C1CCC1	713641459	572935660	/nfs/dbraw/zinc/93/56/60/572935660.db2.gz	ZRQMLRXYRPJSGV-RXNFCKPNSA-N	0	0	180.291	3.060	10	0		AGAERN
CC[C@H](C)[C@@](C)(O)[C@@H](C)CC(C)C	308205785	572935782	/nfs/dbraw/zinc/93/57/82/572935782.db2.gz	YTCFMDOZROKHQL-SDDRHHMPSA-N	0	0	186.339	3.466	10	0		AGAERN
Cc1ccc(OCCCF)c(C)c1	88027217	572935910	/nfs/dbraw/zinc/93/59/10/572935910.db2.gz	RDCFHKOWHFNVBZ-UHFFFAOYSA-N	0	0	182.238	3.042	10	0		AGAERN
c1cc2c3c(c1)c1c(n3CCC2)CCC1	238125805	572935971	/nfs/dbraw/zinc/93/59/71/572935971.db2.gz	JEYXWYFRRRFTSB-UHFFFAOYSA-N	0	0	197.281	3.076	10	0		AGAERN
CC[C@H](C)[C@@](C)(O)[C@H](C)CC(C)C	308205784	572936005	/nfs/dbraw/zinc/93/60/05/572936005.db2.gz	YTCFMDOZROKHQL-QJPTWQEYSA-N	0	0	186.339	3.466	10	0		AGAERN
C/C=C/[C@H](C)/C=C(/C)C/C=C\CO	308206712	572936487	/nfs/dbraw/zinc/93/64/87/572936487.db2.gz	INCBPMMVCLERAW-OEECEVBNSA-N	0	0	180.291	3.084	10	0		AGAERN
Cc1cc(C)cc(OCCCF)c1	88027219	572936130	/nfs/dbraw/zinc/93/61/30/572936130.db2.gz	RGOCKQUCERILON-UHFFFAOYSA-N	0	0	182.238	3.042	10	0		AGAERN
CCCC[C@@H](C)n1cccc1	50890646	572936348	/nfs/dbraw/zinc/93/63/48/572936348.db2.gz	VYHQLVTUZBANEK-SNVBAGLBSA-N	0	0	151.253	3.239	10	0		AGAERN
CCC[C@](O)(c1cccs1)C1CC1	308206471	572936720	/nfs/dbraw/zinc/93/67/20/572936720.db2.gz	ZDNIQWPAJLAFQN-LLVKDONJSA-N	0	0	196.315	3.146	10	0		AGAERN
CC(=O)c1[nH]c(C)cc1-c1ccccc1	238116675	572937038	/nfs/dbraw/zinc/93/70/38/572937038.db2.gz	KBPCQRVQGXPUNP-UHFFFAOYSA-N	0	0	199.253	3.193	10	0		AGAERN
CC(C)(C)/C=C/C[C@@H](O)C(C)(C)C	238114855	572936792	/nfs/dbraw/zinc/93/67/92/572936792.db2.gz	BQAAIUPRABJFPV-TTZKWOQHSA-N	0	0	184.323	3.386	10	0		AGAERN
CC(C)(C)/C=C/C[C@]1(CO)C=CCC1	238114897	572937309	/nfs/dbraw/zinc/93/73/09/572937309.db2.gz	OHLFYXZCOWESPX-YBJDMEARSA-N	0	0	194.318	3.308	10	0		AGAERN
CCC(CC)(CO)[C@@H](C)CC(C)C	308195673	572937338	/nfs/dbraw/zinc/93/73/38/572937338.db2.gz	QSQWEOAVOSUNSY-NSHDSACASA-N	0	0	186.339	3.467	10	0		AGAERN
CCC(CC)(CO)[C@H](C)CC(C)C	308195672	572937398	/nfs/dbraw/zinc/93/73/98/572937398.db2.gz	QSQWEOAVOSUNSY-LLVKDONJSA-N	0	0	186.339	3.467	10	0		AGAERN
CC(C)=C(C)CC/C=C(/C)CO	238110957	572937465	/nfs/dbraw/zinc/93/74/65/572937465.db2.gz	IGZZQFQZCQVGSA-POHAHGRESA-N	0	0	168.280	3.062	10	0		AGAERN
CCCC[C@@H](C)Nc1nccs1	50889535	572938011	/nfs/dbraw/zinc/93/80/11/572938011.db2.gz	KPWJPQHZKQKOKI-MRVPVSSYSA-N	0	0	184.308	3.134	10	0		AGAERN
CC(C)=C(C)CCc1ccc(C=O)o1	238111374	572938039	/nfs/dbraw/zinc/93/80/39/572938039.db2.gz	MUULCHQWHWDIER-UHFFFAOYSA-N	0	0	192.258	3.381	10	0		AGAERN
CC(C)(C)/C=C/C[C@@]1(CO)C=CCC1	238114958	572938284	/nfs/dbraw/zinc/93/82/84/572938284.db2.gz	OHLFYXZCOWESPX-KTRBRXNASA-N	0	0	194.318	3.308	10	0		AGAERN
CC(=C=CC(C)(C)CO)CC(C)C	238127149	572938329	/nfs/dbraw/zinc/93/83/29/572938329.db2.gz	QVRAUSRBVNDMPU-UHFFFAOYSA-N	0	0	182.307	3.152	10	0		AGAERN
C1=C[C@H](c2cccc3c2NCCC3)CC1	238111853	572938397	/nfs/dbraw/zinc/93/83/97/572938397.db2.gz	QCFIYAWVPBKDDP-NSHDSACASA-N	0	0	199.297	3.478	10	0		AGAERN
c1cc2c3c(cccc3c1)NCCCN2	238112133	572938626	/nfs/dbraw/zinc/93/86/26/572938626.db2.gz	MFKQHACIKOEKHU-UHFFFAOYSA-N	0	0	198.269	3.067	10	0		AGAERN
C1=C[C@@H](c2cccc3c2NCCC3)CC1	238111885	572938679	/nfs/dbraw/zinc/93/86/79/572938679.db2.gz	QCFIYAWVPBKDDP-LLVKDONJSA-N	0	0	199.297	3.478	10	0		AGAERN
CC(C)C[C@H](C)C(=O)CC1CCC1	308195273	572939057	/nfs/dbraw/zinc/93/90/57/572939057.db2.gz	QPOPKQWVDYNMKA-JTQLQIEISA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)CC[C@@](C)(O)CCC1CC1	308195239	572939297	/nfs/dbraw/zinc/93/92/97/572939297.db2.gz	QOAPXYYJZDMINC-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)CCC(=O)c1ccccc1O	238137026	572939598	/nfs/dbraw/zinc/93/95/98/572939598.db2.gz	BKSKHRCXEMBCAX-UHFFFAOYSA-N	0	0	192.258	3.011	10	0		AGAERN
CC[C@@H](C)c1nc2ccccc2n1C	40389124	572940156	/nfs/dbraw/zinc/94/01/56/572940156.db2.gz	GYVXIYUHIJVJJG-SECBINFHSA-N	0	0	188.274	3.087	10	0		AGAERN
CC(=O)CC(C)(C)CC=C(C)C	238141002	572940834	/nfs/dbraw/zinc/94/08/34/572940834.db2.gz	BGVXMNCHZRGWOR-UHFFFAOYSA-N	0	0	168.280	3.348	10	0		AGAERN
CCC[C@H](C)C(O)(C(C)C)C(C)C	308212577	572941135	/nfs/dbraw/zinc/94/11/35/572941135.db2.gz	XHXINABCKQHKOA-NSHDSACASA-N	0	0	186.339	3.466	10	0		AGAERN
C/C=C\[C@H](O)C/C=C\C[Si](C)(C)C	308210253	572941179	/nfs/dbraw/zinc/94/11/79/572941179.db2.gz	WAWMUBIBUHRGAO-URJOWQPWSA-N	0	0	198.382	3.208	10	0		AGAERN
C/C=C/[C@H](O)C/C=C\C[Si](C)(C)C	308210251	572941192	/nfs/dbraw/zinc/94/11/92/572941192.db2.gz	WAWMUBIBUHRGAO-MQGOBWQPSA-N	0	0	198.382	3.208	10	0		AGAERN
C/C(=C\CO)CCCCC(C)C	238139416	572941293	/nfs/dbraw/zinc/94/12/93/572941293.db2.gz	FYGLCUJAJHTVHX-DHZHZOJOSA-N	0	0	170.296	3.141	10	0		AGAERN
C/C=C1/[C@@H]2CC[C@@H](C2)C1(C)C	222609798	572943336	/nfs/dbraw/zinc/94/33/36/572943336.db2.gz	JZWOFBQYGICYBX-RYUFRBRESA-N	0	0	150.265	3.389	10	0		AGAERN
C/C=C\[C@H](O)C/C=C/C[Si](C)(C)C	308210250	572941557	/nfs/dbraw/zinc/94/15/57/572941557.db2.gz	WAWMUBIBUHRGAO-CNXBCOAJSA-N	0	0	198.382	3.208	10	0		AGAERN
CC[C@H](C)c1nc2ccccc2n1C	40389126	572941610	/nfs/dbraw/zinc/94/16/10/572941610.db2.gz	GYVXIYUHIJVJJG-VIFPVBQESA-N	0	0	188.274	3.087	10	0		AGAERN
C=Cc1cccc(-c2ccc(C=O)o2)c1	238137902	572941792	/nfs/dbraw/zinc/94/17/92/572941792.db2.gz	FPIYKABOAMRPGC-UHFFFAOYSA-N	0	0	198.221	3.402	10	0		AGAERN
CC(C)CCC(=O)c1cccc(O)c1	238136950	572941912	/nfs/dbraw/zinc/94/19/12/572941912.db2.gz	UANJFUVIHROBSX-UHFFFAOYSA-N	0	0	192.258	3.011	10	0		AGAERN
CC[C@H](CO)[C@H](C)/C=C\C(C)(C)C	308198394	572942618	/nfs/dbraw/zinc/94/26/18/572942618.db2.gz	OGRJTCKRJLNYBS-YTHBOFTNSA-N	0	0	184.323	3.243	10	0		AGAERN
C=C/C=C/CC[C@@H](O)CCC(C)C	713644737	572943096	/nfs/dbraw/zinc/94/30/96/572943096.db2.gz	HIPOJIWUGITRMV-BTDICHCPSA-N	0	0	182.307	3.306	10	0		AGAERN
C=C/C=C\CC[C@@H](O)CCC(C)C	713644741	572943187	/nfs/dbraw/zinc/94/31/87/572943187.db2.gz	HIPOJIWUGITRMV-FOQNGQEVSA-N	0	0	182.307	3.306	10	0		AGAERN
CC[C@@H](F)CSC[C@H](F)CC	168814701	572943251	/nfs/dbraw/zinc/94/32/51/572943251.db2.gz	QFBHECMVCAJSTC-HTQZYQBOSA-N	0	0	182.279	3.216	10	0		AGAERN
CC(C)=CC/C(C)=C/CCCO	238141425	572943405	/nfs/dbraw/zinc/94/34/05/572943405.db2.gz	URHXSMDWNBZJFM-IZZDOVSWSA-N	0	0	168.280	3.062	10	0		AGAERN
CCC[C@@H](C)C(O)(C(C)C)C(C)C	308212576	572943521	/nfs/dbraw/zinc/94/35/21/572943521.db2.gz	XHXINABCKQHKOA-LLVKDONJSA-N	0	0	186.339	3.466	10	0		AGAERN
C=C/C=C/CC[C@H](O)CCC(C)C	713644746	572943549	/nfs/dbraw/zinc/94/35/49/572943549.db2.gz	HIPOJIWUGITRMV-FYJFLYSWSA-N	0	0	182.307	3.306	10	0		AGAERN
CCCCCN(CCC(C)C)OC	308207451	572943688	/nfs/dbraw/zinc/94/36/88/572943688.db2.gz	DDMYZHVJDHNRBY-UHFFFAOYSA-N	0	0	187.327	3.086	10	0		AGAERN
CC[C@H](C)SCc1nc(C)c(C)o1	308212155	572944051	/nfs/dbraw/zinc/94/40/51/572944051.db2.gz	GXFCPGBLCAWSPT-ZETCQYMHSA-N	0	0	199.319	3.323	10	0		AGAERN
CC[C@@H](C)SCc1nc(C)c(C)o1	308212154	572944550	/nfs/dbraw/zinc/94/45/50/572944550.db2.gz	GXFCPGBLCAWSPT-SSDOTTSWSA-N	0	0	199.319	3.323	10	0		AGAERN
C=C/C=C\CC[C@H](O)CCC(C)C	713644739	572944551	/nfs/dbraw/zinc/94/45/51/572944551.db2.gz	HIPOJIWUGITRMV-FJOGCWAESA-N	0	0	182.307	3.306	10	0		AGAERN
CCCCCN(C)c1nc(C)cs1	308207805	572944604	/nfs/dbraw/zinc/94/46/04/572944604.db2.gz	DJCARPSGHVMWOE-UHFFFAOYSA-N	0	0	198.335	3.078	10	0		AGAERN
C[C@@H](CO)C/C=C\C1CCCCC1	308207616	572945043	/nfs/dbraw/zinc/94/50/43/572945043.db2.gz	UMXKFWUSGMBMAY-YOOZJCNJSA-N	0	0	182.307	3.141	10	0		AGAERN
CC(C)=CCC/C=C(/C)CCCO	238141556	572945975	/nfs/dbraw/zinc/94/59/75/572945975.db2.gz	QXYYVRKCCKTYOG-WQLSENKSSA-N	0	0	182.307	3.452	10	0		AGAERN
C/C(=C\[C@H](O)C(C)C)c1ccccc1	211682808	572946107	/nfs/dbraw/zinc/94/61/07/572946107.db2.gz	DZPCJSYWOKOEGK-STRFDMGBSA-N	0	0	190.286	3.107	10	0		AGAERN
CCC/C=C\C(=O)OC(C)(C)CC	308212689	572946750	/nfs/dbraw/zinc/94/67/50/572946750.db2.gz	HFZYUDZWBKKIKS-HJWRWDBZSA-N	0	0	184.279	3.075	10	0		AGAERN
C[C@@](O)(CC1CCC1)C1=CCCCC1	235421306	572947191	/nfs/dbraw/zinc/94/71/91/572947191.db2.gz	MDIKFJNXFZPAPF-CYBMUJFWSA-N	0	0	194.318	3.428	10	0		AGAERN
CCCCCN(CC(C)(C)C)OC	308214167	572948188	/nfs/dbraw/zinc/94/81/88/572948188.db2.gz	IDTMGTGZKLUJLL-UHFFFAOYSA-N	0	0	187.327	3.086	10	0		AGAERN
CC1(C[C@H](O)CC2CC2)CCCC1	308214673	572949221	/nfs/dbraw/zinc/94/92/21/572949221.db2.gz	YTYYHAFFHVMCGF-LLVKDONJSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1cc2c(cc1Cl)N[C@H](C)C2	713792594	572949926	/nfs/dbraw/zinc/94/99/26/572949926.db2.gz	CYBIAMUCEAUFQR-SSDOTTSWSA-N	0	0	181.666	3.005	10	0		AGAERN
CC(C)=CC[C@@H]1CCC/C1=C/CO	308213071	572949367	/nfs/dbraw/zinc/94/93/67/572949367.db2.gz	MIBIQMHYZIIJDW-LCFDYFRESA-N	0	0	180.291	3.062	10	0		AGAERN
CC[C@H](C)/C=C(C)/C=C/C=C/CO	308213082	572949416	/nfs/dbraw/zinc/94/94/16/572949416.db2.gz	MJJIQNWNZPNEBC-ACOVLSDISA-N	0	0	180.291	3.084	10	0		AGAERN
CC[C@H](C)/C=C(C)/C=C/C=C\CO	308213083	572949436	/nfs/dbraw/zinc/94/94/36/572949436.db2.gz	MJJIQNWNZPNEBC-FCWYFNCZSA-N	0	0	180.291	3.084	10	0		AGAERN
CC1(C[C@@H](O)CC2CC2)CCCC1	308214674	572949553	/nfs/dbraw/zinc/94/95/53/572949553.db2.gz	YTYYHAFFHVMCGF-NSHDSACASA-N	0	0	182.307	3.118	10	0		AGAERN
CC(C)=CCCC(=O)C1(C)CC1	238142918	572950307	/nfs/dbraw/zinc/95/03/07/572950307.db2.gz	WQRBYSSZLJWULM-UHFFFAOYSA-N	0	0	166.264	3.102	10	0		AGAERN
CC(C)=CCC/C(C)=C/C=C/CO	238143694	572950290	/nfs/dbraw/zinc/95/02/90/572950290.db2.gz	FPWZKAUIOCQKAN-CGJKORLASA-N	0	0	180.291	3.228	10	0		AGAERN
Cc1cc2c(cc1Cl)N[C@@H](C)C2	713792595	572950728	/nfs/dbraw/zinc/95/07/28/572950728.db2.gz	CYBIAMUCEAUFQR-ZETCQYMHSA-N	0	0	181.666	3.005	10	0		AGAERN
CC(C)=CCCOc1cccc(O)c1	238146214	572950905	/nfs/dbraw/zinc/95/09/05/572950905.db2.gz	LJKBVQGVWOYZJS-UHFFFAOYSA-N	0	0	192.258	3.127	10	0		AGAERN
CCCCCCC(=O)OC1CCC1	199563365	572951025	/nfs/dbraw/zinc/95/10/25/572951025.db2.gz	HVMOWLZOGJPQEQ-UHFFFAOYSA-N	0	0	184.279	3.053	10	0		AGAERN
Cc1nc(C)c(-c2ccccc2C)o1	58520620	572952161	/nfs/dbraw/zinc/95/21/61/572952161.db2.gz	HWQBJXHZSXUSGX-UHFFFAOYSA-N	0	0	187.242	3.267	10	0		AGAERN
Cc1nc(-c2ccc(C)c(C)c2)co1	58520632	572952164	/nfs/dbraw/zinc/95/21/64/572952164.db2.gz	UTEUNYOTPKEVIJ-UHFFFAOYSA-N	0	0	187.242	3.267	10	0		AGAERN
CC(C)c1ccc(-c2cocn2)cc1	58520631	572952206	/nfs/dbraw/zinc/95/22/06/572952206.db2.gz	TXGAWRAFDXWVAT-UHFFFAOYSA-N	0	0	187.242	3.465	10	0		AGAERN
C=C/C(C)=C/C[C@@H](C)C(=O)CC	169095104	572952258	/nfs/dbraw/zinc/95/22/58/572952258.db2.gz	ZPHYRPMYDGKMOE-TTZKWOQHSA-N	0	0	166.264	3.124	10	0		AGAERN
Cc1ccc(-c2coc(C)n2)c(C)c1	58520635	572952520	/nfs/dbraw/zinc/95/25/20/572952520.db2.gz	FLOVPXUHHHFFFD-UHFFFAOYSA-N	0	0	187.242	3.267	10	0		AGAERN
CCc1ccc(-c2coc(C)n2)cc1	58520630	572952352	/nfs/dbraw/zinc/95/23/52/572952352.db2.gz	GAHDBALAIMFIKO-UHFFFAOYSA-N	0	0	187.242	3.212	10	0		AGAERN
CCc1ccc(-c2ocnc2C)cc1	58520628	572953075	/nfs/dbraw/zinc/95/30/75/572953075.db2.gz	UZVHZPVYIXIEKQ-UHFFFAOYSA-N	0	0	187.242	3.212	10	0		AGAERN
Cc1ncsc1-c1cccs1	58519912	572953145	/nfs/dbraw/zinc/95/31/45/572953145.db2.gz	XAOSPDLUZSOPKV-UHFFFAOYSA-N	0	0	181.285	3.180	10	0		AGAERN
Cc1ccc(C)c(-c2coc(C)n2)c1	58520634	572953270	/nfs/dbraw/zinc/95/32/70/572953270.db2.gz	WVHRTIMSOZVABE-UHFFFAOYSA-N	0	0	187.242	3.267	10	0		AGAERN
Cc1cc(C)c(-c2cocn2)c(C)c1	58520639	572953406	/nfs/dbraw/zinc/95/34/06/572953406.db2.gz	VPRDUQWZGLGKRE-UHFFFAOYSA-N	0	0	187.242	3.267	10	0		AGAERN
Cc1cccc(-c2oc(C)nc2C)c1	58520621	572953504	/nfs/dbraw/zinc/95/35/04/572953504.db2.gz	JBIUVHAWLZAWRR-UHFFFAOYSA-N	0	0	187.242	3.267	10	0		AGAERN
CC(C)C(C)(C)[C@H]1CC[C@H](C)C[C@@H]1O	222614265	572953629	/nfs/dbraw/zinc/95/36/29/572953629.db2.gz	RYXUCGWSDPIMDO-SRVKXCTJSA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)CCC[C@@]1(C)CCC1=O	238148528	572953836	/nfs/dbraw/zinc/95/38/36/572953836.db2.gz	NGAJVJYJKGIABI-NSHDSACASA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1ccc2c(c1Cl)C[C@@H](C)N2	713794968	572953864	/nfs/dbraw/zinc/95/38/64/572953864.db2.gz	MBMBBQSEBHGSAR-SSDOTTSWSA-N	0	0	181.666	3.005	10	0		AGAERN
CC(C)(C)CCC(C)(C)CCO	238146827	572953893	/nfs/dbraw/zinc/95/38/93/572953893.db2.gz	FJKNJKPYXVNLIE-UHFFFAOYSA-N	0	0	172.312	3.221	10	0		AGAERN
Cc1ccc2c(c1Cl)C[C@H](C)N2	713794969	572953977	/nfs/dbraw/zinc/95/39/77/572953977.db2.gz	MBMBBQSEBHGSAR-ZETCQYMHSA-N	0	0	181.666	3.005	10	0		AGAERN
CC(C)CCC[C@@H](C)[C@@H](C)CCO	238147249	572954001	/nfs/dbraw/zinc/95/40/01/572954001.db2.gz	RLSTUVUZIAEXOO-NEPJUHHUSA-N	0	0	186.339	3.467	10	0		AGAERN
Cc1ccc(-c2scnc2C)cc1	58521038	572954060	/nfs/dbraw/zinc/95/40/60/572954060.db2.gz	ZCSWFBZJRYAVEQ-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
C/C(=C\CO)[C@H](C)CCCC(C)C	238145405	572954062	/nfs/dbraw/zinc/95/40/62/572954062.db2.gz	SBIWLUVGHVOYQV-OYGDSYQHSA-N	0	0	184.323	3.387	10	0		AGAERN
Cc1nc(C)c(-c2ccc(F)cc2)o1	58521375	572954107	/nfs/dbraw/zinc/95/41/07/572954107.db2.gz	CKMFXGSZBJAUAD-UHFFFAOYSA-N	0	0	191.205	3.098	10	0		AGAERN
CC(C)=CCC[C@@H](O)c1ccc(C)o1	238146745	572954136	/nfs/dbraw/zinc/95/41/36/572954136.db2.gz	XFWGVGZQSQWHEB-LLVKDONJSA-N	0	0	194.274	3.368	10	0		AGAERN
CC(C)CCC[C@@H](C)[C@H](C)CCO	238147394	572954413	/nfs/dbraw/zinc/95/44/13/572954413.db2.gz	RLSTUVUZIAEXOO-VXGBXAGGSA-N	0	0	186.339	3.467	10	0		AGAERN
Cc1cccc(-c2scnc2C)c1	58521036	572954621	/nfs/dbraw/zinc/95/46/21/572954621.db2.gz	KCLLVRJJDUWWPF-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
CC(C)=CCC[C@@H](O)C=C(C)C	238146602	572954637	/nfs/dbraw/zinc/95/46/37/572954637.db2.gz	BHCSEKHGGBMGGK-LLVKDONJSA-N	0	0	168.280	3.060	10	0		AGAERN
CC(C)CCC[C@@H](C)[C@H](C)CO	238147416	572954730	/nfs/dbraw/zinc/95/47/30/572954730.db2.gz	IPIJSDVWEOGSSP-GHMZBOCLSA-N	0	0	172.312	3.077	10	0		AGAERN
CC(C)=CCC[C@@H]1CCC[C@@H]1CO	238146930	572954749	/nfs/dbraw/zinc/95/47/49/572954749.db2.gz	VGVYWEOLGMIRNF-VXGBXAGGSA-N	0	0	182.307	3.141	10	0		AGAERN
CC(C)=CCC[C@@H]1CCC[C@H]1CO	238146992	572954787	/nfs/dbraw/zinc/95/47/87/572954787.db2.gz	VGVYWEOLGMIRNF-NEPJUHHUSA-N	0	0	182.307	3.141	10	0		AGAERN
CC(C)CCC[C@]1(C)CCC1=O	238151301	572955029	/nfs/dbraw/zinc/95/50/29/572955029.db2.gz	NGAJVJYJKGIABI-LLVKDONJSA-N	0	0	168.280	3.182	10	0		AGAERN
C/C(=C\CO)[C@@H](C)CCCC(C)C	238148768	572955031	/nfs/dbraw/zinc/95/50/31/572955031.db2.gz	SBIWLUVGHVOYQV-SERMCNLOSA-N	0	0	184.323	3.387	10	0		AGAERN
C=C/C=C\CC[C@](C)(O)C1CCCC1	713650680	572955046	/nfs/dbraw/zinc/95/50/46/572955046.db2.gz	BYFZMUYUVJNRCB-ZFDPJTLLSA-N	0	0	194.318	3.450	10	0		AGAERN
Cc1nc(C)c(-c2ccccc2F)o1	58521373	572955047	/nfs/dbraw/zinc/95/50/47/572955047.db2.gz	PXEDZJPKCGSXGR-UHFFFAOYSA-N	0	0	191.205	3.098	10	0		AGAERN
CC(C)=CCC[C@@H](O)C1=CCCC1	238146560	572955062	/nfs/dbraw/zinc/95/50/62/572955062.db2.gz	WLYLXBBCHSMMGA-GFCCVEGCSA-N	0	0	180.291	3.204	10	0		AGAERN
C[C@H]1CC[C@H](C(C)(C)C2CC2)[C@@H](O)C1	222613465	572955064	/nfs/dbraw/zinc/95/50/64/572955064.db2.gz	OYDINDLIBGEICX-DLOVCJGASA-N	0	0	196.334	3.220	10	0		AGAERN
CC(C)CCC[C@H](O)[C@@H]1CC1(C)C	238150755	572955277	/nfs/dbraw/zinc/95/52/77/572955277.db2.gz	JJCYRRQBFYQLGJ-QWRGUYRKSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)=CCC[C@H]1CCC[C@@H]1CO	238149322	572955279	/nfs/dbraw/zinc/95/52/79/572955279.db2.gz	VGVYWEOLGMIRNF-NWDGAFQWSA-N	0	0	182.307	3.141	10	0		AGAERN
Cc1ccc([C@H](C[C@@H](C)O)C(C)C)o1	238154143	572955422	/nfs/dbraw/zinc/95/54/22/572955422.db2.gz	RPJBKIXGBDVAQK-MWLCHTKSSA-N	0	0	196.290	3.099	10	0		AGAERN
CC(C)=CCC/C(=C/CO)C1CC1	238150941	572955424	/nfs/dbraw/zinc/95/54/24/572955424.db2.gz	JGWKARMQJUPEAB-FLIBITNWSA-N	0	0	180.291	3.062	10	0		AGAERN
CC(C)CCC[C@H](C)[C@H](C)CO	238150444	572955506	/nfs/dbraw/zinc/95/55/06/572955506.db2.gz	IPIJSDVWEOGSSP-WDEREUQCSA-N	0	0	172.312	3.077	10	0		AGAERN
CC(C)CCC[C@H](C)[C@H](C)CCO	238150420	572955613	/nfs/dbraw/zinc/95/56/13/572955613.db2.gz	RLSTUVUZIAEXOO-NWDGAFQWSA-N	0	0	186.339	3.467	10	0		AGAERN
CC(C)=CCC[C@H](O)c1ccc(C)o1	238149193	572955677	/nfs/dbraw/zinc/95/56/77/572955677.db2.gz	XFWGVGZQSQWHEB-NSHDSACASA-N	0	0	194.274	3.368	10	0		AGAERN
CC(C)CCC[C@H](C)[C@@H](C)CO	238150337	572955810	/nfs/dbraw/zinc/95/58/10/572955810.db2.gz	IPIJSDVWEOGSSP-QWRGUYRKSA-N	0	0	172.312	3.077	10	0		AGAERN
CC(C)=CC[C@@H](CO)c1ccccc1	238154300	572955970	/nfs/dbraw/zinc/95/59/70/572955970.db2.gz	QNMCENAXWMZTDO-ZDUSSCGKSA-N	0	0	190.286	3.119	10	0		AGAERN
CC(C)=CCC[C@H](O)C1=CCCC1	238149050	572956126	/nfs/dbraw/zinc/95/61/26/572956126.db2.gz	WLYLXBBCHSMMGA-LBPRGKRZSA-N	0	0	180.291	3.204	10	0		AGAERN
CC(C)CCC[C@H](O)[C@H]1CC1(C)C	238150800	572956242	/nfs/dbraw/zinc/95/62/42/572956242.db2.gz	JJCYRRQBFYQLGJ-MNOVXSKESA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1ccc([C@H](C[C@H](C)O)C(C)C)o1	238154707	572956251	/nfs/dbraw/zinc/95/62/51/572956251.db2.gz	RPJBKIXGBDVAQK-GXSJLCMTSA-N	0	0	196.290	3.099	10	0		AGAERN
CC(C)=CCC[C@H]1CCC[C@H]1CO	238149393	572956266	/nfs/dbraw/zinc/95/62/66/572956266.db2.gz	VGVYWEOLGMIRNF-RYUDHWBXSA-N	0	0	182.307	3.141	10	0		AGAERN
CC(C)CCC[C@H](C)[C@@H](C)CCO	238150316	572956491	/nfs/dbraw/zinc/95/64/91/572956491.db2.gz	RLSTUVUZIAEXOO-RYUDHWBXSA-N	0	0	186.339	3.467	10	0		AGAERN
CSCCSCC=C1CCC1	393486387	572956554	/nfs/dbraw/zinc/95/65/54/572956554.db2.gz	PTUMZVDCZSSNHV-UHFFFAOYSA-N	0	0	188.361	3.193	10	0		AGAERN
Cc1ccc([C@@H](C[C@H](C)O)C(C)C)o1	238157480	572957946	/nfs/dbraw/zinc/95/79/46/572957946.db2.gz	RPJBKIXGBDVAQK-ONGXEEELSA-N	0	0	196.290	3.099	10	0		AGAERN
Cc1ccc([C@@H](C[C@@H](C)O)C(C)C)o1	238157082	572957651	/nfs/dbraw/zinc/95/76/51/572957651.db2.gz	RPJBKIXGBDVAQK-KOLCDFICSA-N	0	0	196.290	3.099	10	0		AGAERN
CC(C)=CC[C@H](CO)c1ccccc1	238156936	572958136	/nfs/dbraw/zinc/95/81/36/572958136.db2.gz	QNMCENAXWMZTDO-CYBMUJFWSA-N	0	0	190.286	3.119	10	0		AGAERN
CC(=O)[C@@H]1CCCCCC=C1C	238163180	572958486	/nfs/dbraw/zinc/95/84/86/572958486.db2.gz	DVUKBKRSFKNPEZ-LLVKDONJSA-N	0	0	166.264	3.102	10	0		AGAERN
CC(=C/Cl)/C(C)=C/Br	238165565	572959307	/nfs/dbraw/zinc/95/93/07/572959307.db2.gz	NAMPFTDBVPKLLP-UZNMPDEFSA-N	0	0	195.487	3.428	10	0		AGAERN
Cc1cccc2nc(C)n(C(C)C)c12	76210163	572963440	/nfs/dbraw/zinc/96/34/40/572963440.db2.gz	ZYYDRFABHYZZFF-UHFFFAOYSA-N	0	0	188.274	3.234	10	0		AGAERN
CC(C)C[C@@H](C)C(C)(C)C[C@@H](C)O	238165304	572959746	/nfs/dbraw/zinc/95/97/46/572959746.db2.gz	YYNYIQURTWUTMG-GHMZBOCLSA-N	0	0	186.339	3.466	10	0		AGAERN
CC(C)C/C(=C/CO)c1ccccc1	238168130	572959917	/nfs/dbraw/zinc/95/99/17/572959917.db2.gz	SLVPLGRGQUYHEA-JYRVWZFOSA-N	0	0	190.286	3.108	10	0		AGAERN
O[C@H]1CCC/C(=C/c2ccccc2)C1	208387990	572960011	/nfs/dbraw/zinc/96/00/11/572960011.db2.gz	NPXAHJWUQKJTPH-SUIFULHWSA-N	0	0	188.270	3.005	10	0		AGAERN
CC(C)=C[C@H](O)CCC(C)(C)C	238169333	572960663	/nfs/dbraw/zinc/96/06/63/572960663.db2.gz	IYLQZIIFALCARO-SNVBAGLBSA-N	0	0	170.296	3.140	10	0		AGAERN
CC(C)=C[C@@H](O)CCC(C)(C)C	238162836	572960726	/nfs/dbraw/zinc/96/07/26/572960726.db2.gz	IYLQZIIFALCARO-JTQLQIEISA-N	0	0	170.296	3.140	10	0		AGAERN
CC(C)C[C@@H](C)C(C)(C)C[C@H](C)O	238165328	572960832	/nfs/dbraw/zinc/96/08/32/572960832.db2.gz	YYNYIQURTWUTMG-MNOVXSKESA-N	0	0	186.339	3.466	10	0		AGAERN
CC(=C=CCCCO)c1ccccc1	238164322	572960934	/nfs/dbraw/zinc/96/09/34/572960934.db2.gz	OWEJFKJGFHVGTE-UHFFFAOYSA-N	0	0	188.270	3.018	10	0		AGAERN
CCCC[C@H](O)[C@H](C)c1ccccc1	83505812	572961198	/nfs/dbraw/zinc/96/11/98/572961198.db2.gz	XHJPWJPKYQJVFO-YPMHNXCESA-N	0	0	192.302	3.341	10	0		AGAERN
CCCC[C@@H](O)[C@H](C)c1ccccc1	83505813	572961187	/nfs/dbraw/zinc/96/11/87/572961187.db2.gz	XHJPWJPKYQJVFO-DGCLKSJQSA-N	0	0	192.302	3.341	10	0		AGAERN
CCCC[C@H](O)[C@@H](C)c1ccccc1	83505810	572961218	/nfs/dbraw/zinc/96/12/18/572961218.db2.gz	XHJPWJPKYQJVFO-AAEUAGOBSA-N	0	0	192.302	3.341	10	0		AGAERN
CCCCC[C@@](C)(O)c1ccccc1	83502875	572961308	/nfs/dbraw/zinc/96/13/08/572961308.db2.gz	YKRHXEQWULPSBM-CYBMUJFWSA-N	0	0	192.302	3.474	10	0		AGAERN
CCCC[C@@H](O)[C@@H](C)c1ccccc1	83505811	572961695	/nfs/dbraw/zinc/96/16/95/572961695.db2.gz	XHJPWJPKYQJVFO-WCQYABFASA-N	0	0	192.302	3.341	10	0		AGAERN
Cc1ccc2c(c1Cl)N[C@H](C)C2	713800385	572964511	/nfs/dbraw/zinc/96/45/11/572964511.db2.gz	OXWLUEJPCKVYRK-SSDOTTSWSA-N	0	0	181.666	3.005	10	0		AGAERN
Cc1nc2ccc(C(C)C)cc2n1C	76209923	572961793	/nfs/dbraw/zinc/96/17/93/572961793.db2.gz	JZQKYOVGAFFJFR-UHFFFAOYSA-N	0	0	188.274	3.005	10	0		AGAERN
Cc1cc(C)c2ncn(C(C)C)c2c1	76208584	572961805	/nfs/dbraw/zinc/96/18/05/572961805.db2.gz	NWTGZZABNRJYTG-UHFFFAOYSA-N	0	0	188.274	3.234	10	0		AGAERN
CCCCCCO[C@H]1CCCC(=O)C1	86603605	572961846	/nfs/dbraw/zinc/96/18/46/572961846.db2.gz	MDVMBOFVNRZKSL-LBPRGKRZSA-N	0	0	198.306	3.095	10	0		AGAERN
Cc1ccc2nc(C)n(C(C)C)c2c1	76210167	572962019	/nfs/dbraw/zinc/96/20/19/572962019.db2.gz	KVUSHOROSPVXOB-UHFFFAOYSA-N	0	0	188.274	3.234	10	0		AGAERN
CCCCCCO[C@@H]1CCCC(=O)C1	86603604	572962050	/nfs/dbraw/zinc/96/20/50/572962050.db2.gz	MDVMBOFVNRZKSL-GFCCVEGCSA-N	0	0	198.306	3.095	10	0		AGAERN
Cc1ccc2nc(C(C)C)n(C)c2c1	76211535	572962059	/nfs/dbraw/zinc/96/20/59/572962059.db2.gz	MEASDLZHZDDDSK-UHFFFAOYSA-N	0	0	188.274	3.005	10	0		AGAERN
CCc1ccc2c(c1)ncn2C(C)C	76208588	572962264	/nfs/dbraw/zinc/96/22/64/572962264.db2.gz	RXDFHYNTBOCROT-UHFFFAOYSA-N	0	0	188.274	3.180	10	0		AGAERN
Cc1cc(C)c2c(c1)ncn2C(C)C	76208582	572962272	/nfs/dbraw/zinc/96/22/72/572962272.db2.gz	DJDMTPGVPBICQA-UHFFFAOYSA-N	0	0	188.274	3.234	10	0		AGAERN
Cc1cccc2c1nc(C)n2C(C)C	76210362	572962497	/nfs/dbraw/zinc/96/24/97/572962497.db2.gz	AYHXJZAEJUVQEH-UHFFFAOYSA-N	0	0	188.274	3.234	10	0		AGAERN
CC(C)Cc1c[nH]cc1C(=O)C(C)C	238169552	572962501	/nfs/dbraw/zinc/96/25/01/572962501.db2.gz	BJROLENDCDKDOW-UHFFFAOYSA-N	0	0	193.290	3.052	10	0		AGAERN
Cc1nc2cccc(C(C)C)c2n1C	76209745	572962593	/nfs/dbraw/zinc/96/25/93/572962593.db2.gz	BXPGHXXXTHVNEB-UHFFFAOYSA-N	0	0	188.274	3.005	10	0		AGAERN
CC(C)n1cnc2c(Cl)cccc21	76208609	572962651	/nfs/dbraw/zinc/96/26/51/572962651.db2.gz	VWHDKMWUXMHCBF-UHFFFAOYSA-N	0	0	194.665	3.271	10	0		AGAERN
CCc1cccc(-c2ccc(N)cc2)c1	88077687	572962701	/nfs/dbraw/zinc/96/27/01/572962701.db2.gz	AIQVJCSSMUYKOR-UHFFFAOYSA-N	0	0	197.281	3.498	10	0		AGAERN
Cc1ccc(C)c2[nH]c(C(C)C)nc12	76211230	572962719	/nfs/dbraw/zinc/96/27/19/572962719.db2.gz	OTHDIUXXWPINQA-UHFFFAOYSA-N	0	0	188.274	3.303	10	0		AGAERN
CCc1oc2c(Cl)cccc2c1N	82320185	572962735	/nfs/dbraw/zinc/96/27/35/572962735.db2.gz	YBVVIIJNQLCPFS-UHFFFAOYSA-N	0	0	195.649	3.231	10	0		AGAERN
Cc1ccc2c(ncn2C(C)C)c1C	76208595	572962927	/nfs/dbraw/zinc/96/29/27/572962927.db2.gz	VKUBAZCXIVRFDB-UHFFFAOYSA-N	0	0	188.274	3.234	10	0		AGAERN
Cc1cccc2nc(C(C)C)n(C)c12	76211531	572963016	/nfs/dbraw/zinc/96/30/16/572963016.db2.gz	ZFABVBSZIWYAGS-UHFFFAOYSA-N	0	0	188.274	3.005	10	0		AGAERN
Cc1cccc2c1nc(C(C)C)n2C	76211758	572963155	/nfs/dbraw/zinc/96/31/55/572963155.db2.gz	SGUNKZFMCRMBFV-UHFFFAOYSA-N	0	0	188.274	3.005	10	0		AGAERN
Cc1nc2cccc(F)c2n1C(C)C	76210174	572963185	/nfs/dbraw/zinc/96/31/85/572963185.db2.gz	PLJKDYAQZYNDMC-UHFFFAOYSA-N	0	0	192.237	3.065	10	0		AGAERN
Cc1ccc2ncn(C(C)C)c2c1C	76208594	572963418	/nfs/dbraw/zinc/96/34/18/572963418.db2.gz	BFFMCFZLKKDNTA-UHFFFAOYSA-N	0	0	188.274	3.234	10	0		AGAERN
CCC(=O)[C@@H](C)c1cc(C)ccc1C	59028084	572963973	/nfs/dbraw/zinc/96/39/73/572963973.db2.gz	WOPYMKHGXPWOPI-NSHDSACASA-N	0	0	190.286	3.386	10	0		AGAERN
C=Cc1cc(C)cc(Br)c1	59142765	572965663	/nfs/dbraw/zinc/96/56/63/572965663.db2.gz	IFLKMNJUWFPMDN-UHFFFAOYSA-N	0	0	197.075	3.401	10	0		AGAERN
CCCc1nc2c(C)ccc(C)c2[nH]1	59099668	572964111	/nfs/dbraw/zinc/96/41/11/572964111.db2.gz	HNUWKEHBZUSPPV-UHFFFAOYSA-N	0	0	188.274	3.132	10	0		AGAERN
CCC(=O)[C@H](C)c1cc(C)ccc1C	59028088	572964187	/nfs/dbraw/zinc/96/41/87/572964187.db2.gz	WOPYMKHGXPWOPI-LLVKDONJSA-N	0	0	190.286	3.386	10	0		AGAERN
CC(C)C[C@H](C)C(C)(C)C[C@H](C)O	238173104	572964255	/nfs/dbraw/zinc/96/42/55/572964255.db2.gz	YYNYIQURTWUTMG-QWRGUYRKSA-N	0	0	186.339	3.466	10	0		AGAERN
Cc1ccc2c(c1Cl)N[C@@H](C)C2	713800386	572964319	/nfs/dbraw/zinc/96/43/19/572964319.db2.gz	OXWLUEJPCKVYRK-ZETCQYMHSA-N	0	0	181.666	3.005	10	0		AGAERN
CC(C)C[C@H](C)C(C)(C)C[C@@H](C)O	238173083	572964486	/nfs/dbraw/zinc/96/44/86/572964486.db2.gz	YYNYIQURTWUTMG-WDEREUQCSA-N	0	0	186.339	3.466	10	0		AGAERN
CC1=CC(C(C)(C)C)=CC1	59126927	572966927	/nfs/dbraw/zinc/96/69/27/572966927.db2.gz	FSJVREFHLVPDCB-UHFFFAOYSA-N	0	0	136.238	3.309	10	0		AGAERN
CC(C)=Cc1[nH]c2ccccc2c1C=O	238174932	572967544	/nfs/dbraw/zinc/96/75/44/572967544.db2.gz	CKRRWRIWJOTDDL-UHFFFAOYSA-N	0	0	199.253	3.404	10	0		AGAERN
C/C=C\[C@@H](C)C(C)(C)CC(C)=O	204921581	572968287	/nfs/dbraw/zinc/96/82/87/572968287.db2.gz	OOMBOZMWBAKLHG-ATJFRQLMSA-N	0	0	168.280	3.204	10	0		AGAERN
C=C/C=C/CC[C@H](O)CCC1CC1	713654795	572968319	/nfs/dbraw/zinc/96/83/19/572968319.db2.gz	UDACBIWUPLMWAL-PCAWENJQSA-N	0	0	180.291	3.060	10	0		AGAERN
CC1(/C=C/CCCCO)C=CCC=C1	238179002	572968324	/nfs/dbraw/zinc/96/83/24/572968324.db2.gz	KAQQIEXVOFSXHN-WEVVVXLNSA-N	0	0	192.302	3.228	10	0		AGAERN
C=C/C=C\CC[C@H](O)CCC1CC1	713654794	572968371	/nfs/dbraw/zinc/96/83/71/572968371.db2.gz	UDACBIWUPLMWAL-MVZIDQBPSA-N	0	0	180.291	3.060	10	0		AGAERN
C=C/C=C/CC[C@@H](O)CCC1CC1	713654793	572968421	/nfs/dbraw/zinc/96/84/21/572968421.db2.gz	UDACBIWUPLMWAL-AAOUONPWSA-N	0	0	180.291	3.060	10	0		AGAERN
CCCCC[C@H](O)c1ccc(C)cn1	88136168	572968472	/nfs/dbraw/zinc/96/84/72/572968472.db2.gz	GZGUQAFYRUKWJV-LBPRGKRZSA-N	0	0	193.290	3.004	10	0		AGAERN
CCCCC[C@@H](O)c1ccc(C)cn1	88136169	572968668	/nfs/dbraw/zinc/96/86/68/572968668.db2.gz	GZGUQAFYRUKWJV-GFCCVEGCSA-N	0	0	193.290	3.004	10	0		AGAERN
C=C/C=C\CC[C@@H](O)C1(C)CCC1	713659902	572968984	/nfs/dbraw/zinc/96/89/84/572968984.db2.gz	MNSFFOCAESPFSU-DOGVGXBMSA-N	0	0	180.291	3.060	10	0		AGAERN
C=C/C=C/CC[C@@H](O)C1(C)CCC1	713659904	572968985	/nfs/dbraw/zinc/96/89/85/572968985.db2.gz	MNSFFOCAESPFSU-SGUJLRQBSA-N	0	0	180.291	3.060	10	0		AGAERN
CC(C)[C@H]1CC[C@H](C)C[C@@H]1F	59353034	572969218	/nfs/dbraw/zinc/96/92/18/572969218.db2.gz	QFWBGMBGALACAU-AEJSXWLSSA-N	0	0	158.260	3.417	10	0		AGAERN
CC(C)[C@@H](O)[C@H]1CCC(C)(C)C[C@@H]1C	88133772	572969254	/nfs/dbraw/zinc/96/92/54/572969254.db2.gz	HDNCXFQCOHPNDO-SDDRHHMPSA-N	0	0	198.350	3.466	10	0		AGAERN
CC/C(C)=C/C=C(\Cl)C[C@@H](C)O	238179784	572969488	/nfs/dbraw/zinc/96/94/88/572969488.db2.gz	LMORKXVEUTXHNJ-FYRDXYMTSA-N	0	0	188.698	3.236	10	0		AGAERN
CC[C@@H](O)[C@H]1CCC(C)(C)C[C@@H]1C	88133769	572969668	/nfs/dbraw/zinc/96/96/68/572969668.db2.gz	GLHOZXHHXZVQKX-GARJFASQSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@@H](O)[C@@H]1CCC(C)(C)C[C@@H]1C	88133784	572970301	/nfs/dbraw/zinc/97/03/01/572970301.db2.gz	HDNCXFQCOHPNDO-QJPTWQEYSA-N	0	0	198.350	3.466	10	0		AGAERN
CC[C@@H](O)[C@@H]1CCC(C)(C)C[C@@H]1C	88133764	572970422	/nfs/dbraw/zinc/97/04/22/572970422.db2.gz	GLHOZXHHXZVQKX-HBNTYKKESA-N	0	0	184.323	3.220	10	0		AGAERN
C=Cc1ccc(C)c(Cl)c1	59317025	572970529	/nfs/dbraw/zinc/97/05/29/572970529.db2.gz	LQSVJSLLUKWNFD-UHFFFAOYSA-N	0	0	152.624	3.291	10	0		AGAERN
CCc1c[nH]c(=S)n1C(CC)CC	88145939	572971917	/nfs/dbraw/zinc/97/19/17/572971917.db2.gz	ZXBBBDISBSONJZ-UHFFFAOYSA-N	0	0	198.335	3.469	10	0		AGAERN
CCC(=O)CCc1cc(C)cc(F)c1	86693926	572970750	/nfs/dbraw/zinc/97/07/50/572970750.db2.gz	OWRHUCGAENMLBI-UHFFFAOYSA-N	0	0	194.249	3.046	10	0		AGAERN
CCc1c[nH]c(=S)n1C[C@@H](C)CC	88146645	572970964	/nfs/dbraw/zinc/97/09/64/572970964.db2.gz	WQCWXCUHRFOQGK-QMMMGPOBSA-N	0	0	198.335	3.154	10	0		AGAERN
CCCCCn1c(C)c[nH]c1=S	88145822	572971401	/nfs/dbraw/zinc/97/14/01/572971401.db2.gz	MYWHMPDASDGCJG-UHFFFAOYSA-N	0	0	184.308	3.044	10	0		AGAERN
CCCCCn1c(CC)c[nH]c1=S	88145823	572971465	/nfs/dbraw/zinc/97/14/65/572971465.db2.gz	KLZANQWARAAEES-UHFFFAOYSA-N	0	0	198.335	3.298	10	0		AGAERN
CCCCCn1cc(C)[nH]c1=S	88154304	572971563	/nfs/dbraw/zinc/97/15/63/572971563.db2.gz	CXKRISHDKZOXME-UHFFFAOYSA-N	0	0	184.308	3.044	10	0		AGAERN
CCCC[C@H](O)c1cc(C)cc(F)c1	86692763	572971730	/nfs/dbraw/zinc/97/17/30/572971730.db2.gz	ZBSMVQCDMXVFQL-LBPRGKRZSA-N	0	0	196.265	3.358	10	0		AGAERN
Cc1cn(CCCC(C)C)c(=S)[nH]1	88155102	572971775	/nfs/dbraw/zinc/97/17/75/572971775.db2.gz	RFQBAOGUTLBZMM-UHFFFAOYSA-N	0	0	198.335	3.290	10	0		AGAERN
Cc1c[nH]c(=S)n1CCCC(C)C	88146684	572971799	/nfs/dbraw/zinc/97/17/99/572971799.db2.gz	XYBZHEQEFBXWOF-UHFFFAOYSA-N	0	0	198.335	3.290	10	0		AGAERN
CCC[C@H](C)n1c(CC)c[nH]c1=S	88145847	572971877	/nfs/dbraw/zinc/97/18/77/572971877.db2.gz	HVMRURXUZCFBHK-QMMMGPOBSA-N	0	0	198.335	3.469	10	0		AGAERN
CCc1c[nH]c(=S)n1C[C@H](C)CC	88146646	572971947	/nfs/dbraw/zinc/97/19/47/572971947.db2.gz	WQCWXCUHRFOQGK-MRVPVSSYSA-N	0	0	198.335	3.154	10	0		AGAERN
CCCCCCn1cc(C)[nH]c1=S	88155211	572971953	/nfs/dbraw/zinc/97/19/53/572971953.db2.gz	LPCLBJNKRKJEHX-UHFFFAOYSA-N	0	0	198.335	3.434	10	0		AGAERN
CCCC[C@@H](O)c1cc(C)cc(F)c1	86692764	572971976	/nfs/dbraw/zinc/97/19/76/572971976.db2.gz	ZBSMVQCDMXVFQL-GFCCVEGCSA-N	0	0	196.265	3.358	10	0		AGAERN
CCCCCCn1c(C)c[nH]c1=S	88153746	572972012	/nfs/dbraw/zinc/97/20/12/572972012.db2.gz	CGMODJHKTRIYEW-UHFFFAOYSA-N	0	0	198.335	3.434	10	0		AGAERN
CCc1c[nH]c(=S)n1CCC(C)C	88145804	572972014	/nfs/dbraw/zinc/97/20/14/572972014.db2.gz	SSGJVCUIFUYWEF-UHFFFAOYSA-N	0	0	198.335	3.154	10	0		AGAERN
C/C=C/[C@H](O)C(=C=CCC(C)C)CC	238186598	572974324	/nfs/dbraw/zinc/97/43/24/572974324.db2.gz	HBRILRSXFVITEH-ISSFCSMASA-N	0	0	194.318	3.461	10	0		AGAERN
CC1(C)CC(=O)c2c[nH]c3cccc1c23	238186241	572973498	/nfs/dbraw/zinc/97/34/98/572973498.db2.gz	SOBDYXWSVZLWNW-UHFFFAOYSA-N	0	0	199.253	3.032	10	0		AGAERN
CC1=CC(C)(C)[C@@H](C)CC1	59501959	572973866	/nfs/dbraw/zinc/97/38/66/572973866.db2.gz	KFADPHIJZPOZOB-VIFPVBQESA-N	0	0	138.254	3.389	10	0		AGAERN
CCCCCC(=C(F)F)[C@@H](C)O	238186756	572974009	/nfs/dbraw/zinc/97/40/09/572974009.db2.gz	YYQRLELZOHUXEK-SSDOTTSWSA-N	0	0	178.222	3.098	10	0		AGAERN
CCC[C@H]1CCC[C@]2(CC1)C[C@@H]2CO	88158856	572974044	/nfs/dbraw/zinc/97/40/44/572974044.db2.gz	QLRLGBZZUQXBBE-XQQFMLRXSA-N	0	0	196.334	3.365	10	0		AGAERN
CCCCCC(=C(F)F)[C@H](C)O	238186790	572974778	/nfs/dbraw/zinc/97/47/78/572974778.db2.gz	YYQRLELZOHUXEK-ZETCQYMHSA-N	0	0	178.222	3.098	10	0		AGAERN
CC(C)[C@H]1CCC[C@@]2(CC1)C[C@@H]2CO	88158846	572974131	/nfs/dbraw/zinc/97/41/31/572974131.db2.gz	JZIZEHHLTJOFAD-YNEHKIRRSA-N	0	0	196.334	3.221	10	0		AGAERN
CC(C)[C@H]1CCC[C@]2(CC1)C[C@@H]2CO	88158848	572974462	/nfs/dbraw/zinc/97/44/62/572974462.db2.gz	JZIZEHHLTJOFAD-XQQFMLRXSA-N	0	0	196.334	3.221	10	0		AGAERN
CC[C@@]1(C)[C@@H](O)C[C@@H]1c1cccs1	88179430	572974662	/nfs/dbraw/zinc/97/46/62/572974662.db2.gz	VCUZNXRTZJGGMY-DVVUODLYSA-N	0	0	196.315	3.013	10	0		AGAERN
CC1=CC(C)(C)[C@H](C)CC1	59501958	572974972	/nfs/dbraw/zinc/97/49/72/572974972.db2.gz	KFADPHIJZPOZOB-SECBINFHSA-N	0	0	138.254	3.389	10	0		AGAERN
C/C=C/[C@@H](O)C(=C=CCC(C)C)CC	238186623	572975216	/nfs/dbraw/zinc/97/52/16/572975216.db2.gz	HBRILRSXFVITEH-DEZBFZTGSA-N	0	0	194.318	3.461	10	0		AGAERN
CCC/C(C)=C/CCCCCO	238187854	572975522	/nfs/dbraw/zinc/97/55/22/572975522.db2.gz	FFTOZOLBSGMUMD-PKNBQFBNSA-N	0	0	170.296	3.286	10	0		AGAERN
CCC1(CC)[C@@H](O)[C@@H]2CCCCC[C@H]21	88184473	572975808	/nfs/dbraw/zinc/97/58/08/572975808.db2.gz	QNAFMOZUHZMWEU-UTUOFQBUSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@H]1C(=O)[C@H]2CCCCCC[C@H]21	88183114	572975857	/nfs/dbraw/zinc/97/58/57/572975857.db2.gz	PJGZNFQIPSBEDD-VWYCJHECSA-N	0	0	180.291	3.182	10	0		AGAERN
CCc1ccc(Cl)cc1CC	59556824	572975944	/nfs/dbraw/zinc/97/59/44/572975944.db2.gz	WJRNWMKDJJYBCD-UHFFFAOYSA-N	0	0	168.667	3.465	10	0		AGAERN
C=C/C=C\CCc1coc(C)c1	713666599	572975994	/nfs/dbraw/zinc/97/59/94/572975994.db2.gz	UKXGVGOSLDNEMH-PLNGDYQASA-N	0	0	162.232	3.263	10	0		AGAERN
CCC1(CC)[C@@H](O)[C@H]2CCCCC[C@H]21	88184468	572976062	/nfs/dbraw/zinc/97/60/62/572976062.db2.gz	QNAFMOZUHZMWEU-TUAOUCFPSA-N	0	0	196.334	3.364	10	0		AGAERN
C=C/C=C/CCc1coc(C)c1	713666612	572976959	/nfs/dbraw/zinc/97/69/59/572976959.db2.gz	UKXGVGOSLDNEMH-SNAWJCMRSA-N	0	0	162.232	3.263	10	0		AGAERN
CC[C@H]1C(=O)[C@H]2CCCCCC[C@@H]21	88183116	572976397	/nfs/dbraw/zinc/97/63/97/572976397.db2.gz	PJGZNFQIPSBEDD-MXWKQRLJSA-N	0	0	180.291	3.182	10	0		AGAERN
CCc1ccc(-c2cccc(N)c2)o1	51728385	572976443	/nfs/dbraw/zinc/97/64/43/572976443.db2.gz	IVZGHXWGMFBHMQ-UHFFFAOYSA-N	0	0	187.242	3.091	10	0		AGAERN
CCC/C(C)=C/CCC[C@@H](C)O	238187899	572976496	/nfs/dbraw/zinc/97/64/96/572976496.db2.gz	QEJGQEBLRITEHO-RJCSOLBVSA-N	0	0	170.296	3.284	10	0		AGAERN
CC[C@@]1(C)C(=O)[C@H]2CCCCC[C@@H]21	88183490	572976626	/nfs/dbraw/zinc/97/66/26/572976626.db2.gz	RLVTUBMLAPTPKJ-JBLDHEPKSA-N	0	0	180.291	3.182	10	0		AGAERN
C[Si](C)(C)C(=O)C1CCCCC1	195961950	572976862	/nfs/dbraw/zinc/97/68/62/572976862.db2.gz	JAHXWCAYLJDKSN-UHFFFAOYSA-N	0	0	184.355	3.013	10	0		AGAERN
CC1(C)CC(C)(C)C1[C@@H]1CCCC1=O	196033965	572976989	/nfs/dbraw/zinc/97/69/89/572976989.db2.gz	JVFXYNMYFHBDGN-SECBINFHSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)OCCCc1ccccc1F	238189361	572976990	/nfs/dbraw/zinc/97/69/90/572976990.db2.gz	GDLMDSDCFOAGKZ-UHFFFAOYSA-N	0	0	196.265	3.183	10	0		AGAERN
CCCCCC1=C(C)[C@H](CO)CC1	238189305	572977235	/nfs/dbraw/zinc/97/72/35/572977235.db2.gz	FOJHEZWUEHNQNK-LBPRGKRZSA-N	0	0	182.307	3.286	10	0		AGAERN
CCCC/C=C(/CO)c1ccccc1	238189813	572977396	/nfs/dbraw/zinc/97/73/96/572977396.db2.gz	WLXYYXDPHMPOIR-RAXLEYEMSA-N	0	0	190.286	3.253	10	0		AGAERN
CCC(=O)C(C)(C)CCC(C)C	238189995	572977398	/nfs/dbraw/zinc/97/73/98/572977398.db2.gz	ZMLBIFUOGOOQCG-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
CCCC/C=C/CC/C=C/CO	238191117	572977410	/nfs/dbraw/zinc/97/74/10/572977410.db2.gz	CRDFNIBVTFJSEX-QPHGKBKNSA-N	0	0	168.280	3.062	10	0		AGAERN
CCC(C)(C)[C@@H](O)CC(C)(C)C	238189706	572977431	/nfs/dbraw/zinc/97/74/31/572977431.db2.gz	ZYZOBJYDPLMQNQ-VIFPVBQESA-N	0	0	172.312	3.220	10	0		AGAERN
CCC(C)(C)[C@@H](C)[C@H](C)C(C)=O	238189167	572977433	/nfs/dbraw/zinc/97/74/33/572977433.db2.gz	WPOOWUGHXUVTCB-IUCAKERBSA-N	0	0	170.296	3.284	10	0		AGAERN
CCCC/C=C(/C)C[C@H](O)CC	238189281	572977499	/nfs/dbraw/zinc/97/74/99/572977499.db2.gz	UJACTXFVWKTFGY-HIJJYWJESA-N	0	0	170.296	3.284	10	0		AGAERN
CCCC/C=C(/CCC)[C@H](C)O	238189629	572977616	/nfs/dbraw/zinc/97/76/16/572977616.db2.gz	KCISZYAXLDQLOM-RGAIUGGKSA-N	0	0	170.296	3.284	10	0		AGAERN
CCCC/C=C/[C@@H](O)C=C(C)C	238192386	572977758	/nfs/dbraw/zinc/97/77/58/572977758.db2.gz	XNJKYTXZWJJWPR-WSKFYRRCSA-N	0	0	168.280	3.060	10	0		AGAERN
C=C=C(/C=C/CCCC)[C@@H](O)CC	238190371	572977846	/nfs/dbraw/zinc/97/78/46/572977846.db2.gz	DJURNUCFMAGVMR-VMPCVLLUSA-N	0	0	180.291	3.215	10	0		AGAERN
CCC(=O)C(C)(C)C(C)(C)CC	238189841	572977864	/nfs/dbraw/zinc/97/78/64/572977864.db2.gz	MORMMLLWLNJFHC-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
CCCCCC1=CCCC(=O)C1	238189638	572977877	/nfs/dbraw/zinc/97/78/77/572977877.db2.gz	OUKVMVYZWKEZIM-UHFFFAOYSA-N	0	0	166.264	3.246	10	0		AGAERN
CCCC/C=C(/CCC)[C@@H](C)O	238189588	572977907	/nfs/dbraw/zinc/97/79/07/572977907.db2.gz	KCISZYAXLDQLOM-QLWWJYNRSA-N	0	0	170.296	3.284	10	0		AGAERN
CCCC/C=C/C[C@@H]1CCC[C@@H]1O	238191387	572978025	/nfs/dbraw/zinc/97/80/25/572978025.db2.gz	ACTXGNOXIJJEQQ-AIIUZBJTSA-N	0	0	182.307	3.284	10	0		AGAERN
CCCCCC1=C(C)C[C@H](C)[C@@H]1O	238189142	572978029	/nfs/dbraw/zinc/97/80/29/572978029.db2.gz	MYOJWUXIEMPSJG-JQWIXIFHSA-N	0	0	182.307	3.284	10	0		AGAERN
CCCCCC1=C(C)[C@@H](CO)CC1	238189212	572978046	/nfs/dbraw/zinc/97/80/46/572978046.db2.gz	FOJHEZWUEHNQNK-GFCCVEGCSA-N	0	0	182.307	3.286	10	0		AGAERN
CCCCCC1=C(C)C[C@@H](C)[C@@H]1O	238189109	572978187	/nfs/dbraw/zinc/97/81/87/572978187.db2.gz	MYOJWUXIEMPSJG-PWSUYJOCSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)OCCCc1ccc(F)cc1	238189304	572978211	/nfs/dbraw/zinc/97/82/11/572978211.db2.gz	NLWKCXJECIXBIY-UHFFFAOYSA-N	0	0	196.265	3.183	10	0		AGAERN
C=C=C(/C=C/CCCC)[C@H](O)CC	238190391	572978273	/nfs/dbraw/zinc/97/82/73/572978273.db2.gz	DJURNUCFMAGVMR-BZYZDCJZSA-N	0	0	180.291	3.215	10	0		AGAERN
CCCC/C=C/CC[C@H](O)CC	238191087	572978292	/nfs/dbraw/zinc/97/82/92/572978292.db2.gz	MXRIMDGIWUYWAK-WSKFYRRCSA-N	0	0	170.296	3.284	10	0		AGAERN
CCCC/C=C/[C@@H](O)CC(C)C	238192450	572978412	/nfs/dbraw/zinc/97/84/12/572978412.db2.gz	RHIKDCPXPSZUFF-WSKFYRRCSA-N	0	0	170.296	3.140	10	0		AGAERN
CCC(C)(C)[C@@](C)(CC)C(C)=O	238193316	572978497	/nfs/dbraw/zinc/97/84/97/572978497.db2.gz	OMHZZNVTXCMPJJ-NSHDSACASA-N	0	0	170.296	3.428	10	0		AGAERN
CCCCCC=C=CC(C)(C)CO	238191629	572978610	/nfs/dbraw/zinc/97/86/10/572978610.db2.gz	BDMMWCPUYYVBDW-UHFFFAOYSA-N	0	0	182.307	3.297	10	0		AGAERN
Cc1cc2ccc(C)c(C)c2[nH]1	59696026	572978677	/nfs/dbraw/zinc/97/86/77/572978677.db2.gz	DRZHNBFTHFOSNI-UHFFFAOYSA-N	0	0	159.232	3.093	10	0		AGAERN
CCCC/C=C/c1ccccc1CO	238194479	572978693	/nfs/dbraw/zinc/97/86/93/572978693.db2.gz	HYFACSUIURCAIU-VMPITWQZSA-N	0	0	190.286	3.382	10	0		AGAERN
CCCCCCC(=O)C(C)(C)F	238195367	572978860	/nfs/dbraw/zinc/97/88/60/572978860.db2.gz	BEZDEOPMVSLXFN-UHFFFAOYSA-N	0	0	174.259	3.274	10	0		AGAERN
CCCC/C=C/[C@H](O)[C@@H](C)C(C)C	238193669	572978993	/nfs/dbraw/zinc/97/89/93/572978993.db2.gz	HUGHUVNQJKPKCQ-OMJLJAAMSA-N	0	0	184.323	3.386	10	0		AGAERN
CCC(C)(C)[C@H](C)[C@H](C)C(C)=O	238193549	572978991	/nfs/dbraw/zinc/97/89/91/572978991.db2.gz	WPOOWUGHXUVTCB-DTWKUNHWSA-N	0	0	170.296	3.284	10	0		AGAERN
CCC(C)(C)[C@H](C)[C@@H](C)C(C)=O	238193495	572979221	/nfs/dbraw/zinc/97/92/21/572979221.db2.gz	WPOOWUGHXUVTCB-RKDXNWHRSA-N	0	0	170.296	3.284	10	0		AGAERN
CCCC/C=C/[C@H](O)CC(C)C	238193616	572979607	/nfs/dbraw/zinc/97/96/07/572979607.db2.gz	RHIKDCPXPSZUFF-AEZGRPFRSA-N	0	0	170.296	3.140	10	0		AGAERN
CCOC(=O)Sc1ccc(C)cc1	196115667	572981086	/nfs/dbraw/zinc/98/10/86/572981086.db2.gz	VYMZRZVVDYUGNN-UHFFFAOYSA-N	0	0	196.271	3.244	10	0		AGAERN
CSC(=O)c1c(C)cc(C)cc1C	196168263	572982707	/nfs/dbraw/zinc/98/27/07/572982707.db2.gz	AVWVNSROYFSVMU-UHFFFAOYSA-N	0	0	194.299	3.115	10	0		AGAERN
C=C/C=C/CC[C@H]1CCCCC1=O	713672454	572983668	/nfs/dbraw/zinc/98/36/68/572983668.db2.gz	KNUAEOGIVZZFAG-UFFNRZRYSA-N	0	0	178.275	3.268	10	0		AGAERN
Cc1cc(OCC(C)(C)C)ccc1N	196263334	572984666	/nfs/dbraw/zinc/98/46/66/572984666.db2.gz	NGTAYSQLHBJHRY-UHFFFAOYSA-N	0	0	193.290	3.002	10	0		AGAERN
C=C/C=C/CC[C@@H]1CCCCC1=O	713672445	572984906	/nfs/dbraw/zinc/98/49/06/572984906.db2.gz	KNUAEOGIVZZFAG-PGLGOXFNSA-N	0	0	178.275	3.268	10	0		AGAERN
C=C/C=C\CC[C@@H]1CCCCC1=O	713672440	572984999	/nfs/dbraw/zinc/98/49/99/572984999.db2.gz	KNUAEOGIVZZFAG-DLRQAJBASA-N	0	0	178.275	3.268	10	0		AGAERN
CCC[C@@H](CC(C)(C)C)C(=O)OC	196316517	572985196	/nfs/dbraw/zinc/98/51/96/572985196.db2.gz	WPMVCAQKZMITCD-VIFPVBQESA-N	0	0	186.295	3.012	10	0		AGAERN
Cc1ccc2c(c1)N[C@H](C)CC2(C)C	257917466	572993937	/nfs/dbraw/zinc/99/39/37/572993937.db2.gz	BSPHFGLRBKJNSS-SNVBAGLBSA-N	0	0	189.302	3.477	10	0		AGAERN
C1=CC[C@H]2CCCC=C2C1	104530707	572993975	/nfs/dbraw/zinc/99/39/75/572993975.db2.gz	IMFJEYVXPUKRFA-JTQLQIEISA-N	0	0	134.222	3.063	10	0		AGAERN
CCC[C@@H](C)C(=O)OCC(C)(C)C	308217396	572992791	/nfs/dbraw/zinc/99/27/91/572992791.db2.gz	JVNRUCGLLWMTOW-SECBINFHSA-N	0	0	186.295	3.012	10	0		AGAERN
Cc1cccc2scc([C@H](C)O)c12	257916244	572992978	/nfs/dbraw/zinc/99/29/78/572992978.db2.gz	NZEYBJXTPPMVCE-QMMMGPOBSA-N	0	0	192.283	3.263	10	0		AGAERN
Cc1ccc2c(c1)N[C@@H](C)CC2(C)C	257917457	572992981	/nfs/dbraw/zinc/99/29/81/572992981.db2.gz	BSPHFGLRBKJNSS-JTQLQIEISA-N	0	0	189.302	3.477	10	0		AGAERN
CC(=O)c1ccc2c(c1)SC[C@@H]2C	257921288	572993007	/nfs/dbraw/zinc/99/30/07/572993007.db2.gz	CAJMZMZZLITEGK-ZETCQYMHSA-N	0	0	192.283	3.098	10	0		AGAERN
CCC[C@H](C)N(CCC(C)C)OC	308216039	572993029	/nfs/dbraw/zinc/99/30/29/572993029.db2.gz	JMFCIKOSTUWWNF-NSHDSACASA-N	0	0	187.327	3.085	10	0		AGAERN
COCc1cc2ccc(C)cc2s1	257916405	572993038	/nfs/dbraw/zinc/99/30/38/572993038.db2.gz	QQBYILUCWYYHMW-UHFFFAOYSA-N	0	0	192.283	3.356	10	0		AGAERN
CCC(CC)COc1ccccc1N	128269782	572993282	/nfs/dbraw/zinc/99/32/82/572993282.db2.gz	OKEWBTFYOGABFC-UHFFFAOYSA-N	0	0	193.290	3.084	10	0		AGAERN
CCC(CC)C(O)(C(C)C)C(C)C	308215533	572993430	/nfs/dbraw/zinc/99/34/30/572993430.db2.gz	ZNWUFMZZGNOWLL-UHFFFAOYSA-N	0	0	186.339	3.466	10	0		AGAERN
CC[C@H](C)c1ccc(C[C@H](C)O)cc1	258205293	572993609	/nfs/dbraw/zinc/99/36/09/572993609.db2.gz	YVWRGCIKXSDOOU-QWRGUYRKSA-N	0	0	192.302	3.123	10	0		AGAERN
CCOCc1coc2ccc(C)cc12	257916533	572993620	/nfs/dbraw/zinc/99/36/20/572993620.db2.gz	QRWCVLWUAJMGKW-UHFFFAOYSA-N	0	0	190.242	3.278	10	0		AGAERN
CC(C)c1ccc(F)c([C@H](C)CO)c1	258205272	572993723	/nfs/dbraw/zinc/99/37/23/572993723.db2.gz	YVQKOUFUEYCSME-SECBINFHSA-N	0	0	196.265	3.045	10	0		AGAERN
CC=C=C1CCCC[C@H]1C	238240893	572994810	/nfs/dbraw/zinc/99/48/10/572994810.db2.gz	PRSKQYVQPRYCKS-IOJJLOCKSA-N	0	0	136.238	3.298	10	0		AGAERN
C[C@H](O)c1cccc(C2CCCC2)c1	258207544	572993859	/nfs/dbraw/zinc/99/38/59/572993859.db2.gz	ZBNLSIBUOQNFET-JTQLQIEISA-N	0	0	190.286	3.398	10	0		AGAERN
Cc1csc2ccc([C@H](C)O)cc12	257915774	572993983	/nfs/dbraw/zinc/99/39/83/572993983.db2.gz	BPZXQBZPGFPDQN-QMMMGPOBSA-N	0	0	192.283	3.263	10	0		AGAERN
Cc1csc2ccc([C@@H](C)O)cc12	257915773	572994252	/nfs/dbraw/zinc/99/42/52/572994252.db2.gz	BPZXQBZPGFPDQN-MRVPVSSYSA-N	0	0	192.283	3.263	10	0		AGAERN
CCC[C@@H](C)N(CCC(C)C)OC	308216038	572994325	/nfs/dbraw/zinc/99/43/25/572994325.db2.gz	JMFCIKOSTUWWNF-LLVKDONJSA-N	0	0	187.327	3.085	10	0		AGAERN
CC(=O)c1ccc2c(c1)SC[C@H]2C	257921285	572994334	/nfs/dbraw/zinc/99/43/34/572994334.db2.gz	CAJMZMZZLITEGK-SSDOTTSWSA-N	0	0	192.283	3.098	10	0		AGAERN
CCCCn1cc(C)cc(O)c1=S	113325904	572994369	/nfs/dbraw/zinc/99/43/69/572994369.db2.gz	ILYXCNFCDZPPPI-UHFFFAOYSA-N	0	0	197.303	3.032	10	0		AGAERN
C1=CC[C@@H]2CCCC=C2C1	104530703	572994558	/nfs/dbraw/zinc/99/45/58/572994558.db2.gz	IMFJEYVXPUKRFA-SNVBAGLBSA-N	0	0	134.222	3.063	10	0		AGAERN
Cc1ccccc1[C@@]12CC[C@@H](CO1)C2	257916210	572994881	/nfs/dbraw/zinc/99/48/81/572994881.db2.gz	ALDGNPZGSZNTMY-YPMHNXCESA-N	0	0	188.270	3.021	10	0		AGAERN
CC[C@@H](C)c1ccc(C[C@@H](C)O)cc1	258205286	572994916	/nfs/dbraw/zinc/99/49/16/572994916.db2.gz	YVWRGCIKXSDOOU-GHMZBOCLSA-N	0	0	192.302	3.123	10	0		AGAERN
COc1ccc(C(C)(C)C)cc1C	113288660	572994933	/nfs/dbraw/zinc/99/49/33/572994933.db2.gz	MUSHJGINQWRFRN-UHFFFAOYSA-N	0	0	178.275	3.301	10	0		AGAERN
CCc1ccc(C(C)C)cc1[C@@H](C)O	258205320	572995076	/nfs/dbraw/zinc/99/50/76/572995076.db2.gz	YWAIHBCXZBMPMI-SNVBAGLBSA-N	0	0	192.302	3.426	10	0		AGAERN
C[C@@H](O)c1cccc(C2CCCC2)c1	258207547	572995129	/nfs/dbraw/zinc/99/51/29/572995129.db2.gz	ZBNLSIBUOQNFET-SNVBAGLBSA-N	0	0	190.286	3.398	10	0		AGAERN
CCCC(=O)[C@@H]1CCCC=C1C	238241720	572995201	/nfs/dbraw/zinc/99/52/01/572995201.db2.gz	JBRMRMPPTCODMP-SNVBAGLBSA-N	0	0	166.264	3.102	10	0		AGAERN
CC=C=C[C@H](O)c1ccc(Cl)cc1	238242159	572995302	/nfs/dbraw/zinc/99/53/02/572995302.db2.gz	WTCXTTOGMYJUDY-TVDHLFLSSA-N	0	0	194.661	3.105	10	0		AGAERN
CC[C@H](C)c1ccc(C[C@@H](C)O)cc1	258205297	572995816	/nfs/dbraw/zinc/99/58/16/572995816.db2.gz	YVWRGCIKXSDOOU-WDEREUQCSA-N	0	0	192.302	3.123	10	0		AGAERN
CC[C@@H](C)c1ccc(C[C@H](C)O)cc1	258205290	572996555	/nfs/dbraw/zinc/99/65/55/572996555.db2.gz	YVWRGCIKXSDOOU-MNOVXSKESA-N	0	0	192.302	3.123	10	0		AGAERN
CC(C)c1ccc(F)c([C@@H](C)CO)c1	258205274	572996627	/nfs/dbraw/zinc/99/66/27/572996627.db2.gz	YVQKOUFUEYCSME-VIFPVBQESA-N	0	0	196.265	3.045	10	0		AGAERN
Cc1cccc2scc([C@@H](C)O)c12	257916242	572996681	/nfs/dbraw/zinc/99/66/81/572996681.db2.gz	NZEYBJXTPPMVCE-MRVPVSSYSA-N	0	0	192.283	3.263	10	0		AGAERN
CC=C=C[C@@H](O)c1ccc(Cl)cc1	238241962	572996846	/nfs/dbraw/zinc/99/68/46/572996846.db2.gz	WTCXTTOGMYJUDY-UQQBYHSWSA-N	0	0	194.661	3.105	10	0		AGAERN
CCc1ccc(C(C)C)cc1[C@H](C)O	258205316	572997035	/nfs/dbraw/zinc/99/70/35/572997035.db2.gz	YWAIHBCXZBMPMI-JTQLQIEISA-N	0	0	192.302	3.426	10	0		AGAERN
CC1(C)C[C@@H]2C=C[C@H]1c1c[nH]cc12	238241186	572997127	/nfs/dbraw/zinc/99/71/27/572997127.db2.gz	JEVZMIVPHYJMBO-KWQFWETISA-N	0	0	173.259	3.182	10	0		AGAERN
CCCCC1=C[C@H](CCO)CCC1	238241448	572997366	/nfs/dbraw/zinc/99/73/66/572997366.db2.gz	MNBPWOMRGAPZLQ-LBPRGKRZSA-N	0	0	182.307	3.286	10	0		AGAERN
CCCC(=O)[C@@H]1C[C@H](C)C[C@@H]1C	238242057	572997380	/nfs/dbraw/zinc/99/73/80/572997380.db2.gz	UJKRRTCISYXPQM-KXUCPTDWSA-N	0	0	168.280	3.038	10	0		AGAERN
CC1(C)C[C@@H]1c1ccc(Cl)cc1N	238240807	572998122	/nfs/dbraw/zinc/99/81/22/572998122.db2.gz	PSOGELSZYXEVFV-SECBINFHSA-N	0	0	195.693	3.436	10	0		AGAERN
CC1=CC[C@@]2(C)CCCC[C@@H]1C2=O	238240640	572997685	/nfs/dbraw/zinc/99/76/85/572997685.db2.gz	WQBDNZAIJOUXDR-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
CC=C=C1CCCC[C@@H]1C	238240862	572997982	/nfs/dbraw/zinc/99/79/82/572997982.db2.gz	PRSKQYVQPRYCKS-HSOSERFQSA-N	0	0	136.238	3.298	10	0		AGAERN
CCCC[C@H]1CC(=O)C(C)(C)C1	238241454	572998296	/nfs/dbraw/zinc/99/82/96/572998296.db2.gz	XMWUDRYDMHQBPI-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@@]1(C)Nc2ccccc2CO1	238240696	572998362	/nfs/dbraw/zinc/99/83/62/572998362.db2.gz	XZCMJCJYIDVVHJ-LBPRGKRZSA-N	0	0	191.274	3.145	10	0		AGAERN
CC1(C)C[C@@H]1c1c(N)cccc1Cl	238240789	572998397	/nfs/dbraw/zinc/99/83/97/572998397.db2.gz	IFPXJPDFFADJNF-SSDOTTSWSA-N	0	0	195.693	3.436	10	0		AGAERN
CC[C@@H](C)OCOc1ccccc1C	308472181	572999182	/nfs/dbraw/zinc/99/91/82/572999182.db2.gz	JDVDUWRIMPBZTD-LLVKDONJSA-N	0	0	194.274	3.146	10	0		AGAERN
COCc1cc2cccc(F)c2s1	257918072	572999367	/nfs/dbraw/zinc/99/93/67/572999367.db2.gz	QTVAHPVNYXVQOW-UHFFFAOYSA-N	0	0	196.246	3.187	10	0		AGAERN
Cc1cccn1CC[C@@H]1C[C@H]1C1CC1	714790246	572999619	/nfs/dbraw/zinc/99/96/19/572999619.db2.gz	OPMFUJIRLQBYNS-OLZOCXBDSA-N	0	0	189.302	3.233	10	0		AGAERN
Oc1c(CF)ccc2ccccc12	257918384	573000328	/nfs/dbraw/zinc/00/03/28/573000328.db2.gz	RDQOUXXADCHWQZ-UHFFFAOYSA-N	0	0	176.190	3.015	10	0		AGAERN
CC1(C)Cc2[nH]ccc2C(C)(C)C1	238243844	573000976	/nfs/dbraw/zinc/00/09/76/573000976.db2.gz	STFLXCQGPMQTPY-UHFFFAOYSA-N	0	0	177.291	3.265	10	0		AGAERN
CC[C@@H](CO)c1cc(C)c(C)cc1C	259303898	573001061	/nfs/dbraw/zinc/00/10/61/573001061.db2.gz	QPPZWMVWMRLDHX-LBPRGKRZSA-N	0	0	192.302	3.098	10	0		AGAERN
CC[C@H](CO)c1cc(C)c(C)cc1C	259303894	573001068	/nfs/dbraw/zinc/00/10/68/573001068.db2.gz	QPPZWMVWMRLDHX-GFCCVEGCSA-N	0	0	192.302	3.098	10	0		AGAERN
CCCCn1ccc(C)c(O)c1=S	113329121	573001176	/nfs/dbraw/zinc/00/11/76/573001176.db2.gz	HSALSUVMZVMTPX-UHFFFAOYSA-N	0	0	197.303	3.032	10	0		AGAERN
CCNc1cc(C)c(N=O)c(C)c1	238250689	573001623	/nfs/dbraw/zinc/00/16/23/573001623.db2.gz	NMAHWDAXJNDEIE-UHFFFAOYSA-N	0	0	178.235	3.133	10	0		AGAERN
CCCC[C@H](O)CC1=CCCCC1	128347818	573001763	/nfs/dbraw/zinc/00/17/63/573001763.db2.gz	GVSMBUDJKULTGJ-LBPRGKRZSA-N	0	0	182.307	3.428	10	0		AGAERN
CC1=C(c2ccccc2)[C@@H](O)CCC1	238250644	573001921	/nfs/dbraw/zinc/00/19/21/573001921.db2.gz	HPVBQVLSLWDJJG-LBPRGKRZSA-N	0	0	188.270	3.005	10	0		AGAERN
Cc1cccc(Cl)c1-n1cccc1	85389056	573002250	/nfs/dbraw/zinc/00/22/50/573002250.db2.gz	UQGAKVPTOXPZLG-UHFFFAOYSA-N	0	0	191.661	3.439	10	0		AGAERN
CC[C@H](C)Oc1cc(C)ccc1C	87924059	573002403	/nfs/dbraw/zinc/00/24/03/573002403.db2.gz	JSIXGVOUNLDXPG-NSHDSACASA-N	0	0	178.275	3.481	10	0		AGAERN
CC(C)Oc1nccc2ccccc12	113498816	573002555	/nfs/dbraw/zinc/00/25/55/573002555.db2.gz	BLFNTVSSIXAKLF-UHFFFAOYSA-N	0	0	187.242	3.022	10	0		AGAERN
CC[C@@H](C)Oc1cc(C)ccc1C	87924058	573002641	/nfs/dbraw/zinc/00/26/41/573002641.db2.gz	JSIXGVOUNLDXPG-LLVKDONJSA-N	0	0	178.275	3.481	10	0		AGAERN
CCCC(=O)c1c(O)cccc1Cl	238245090	573003266	/nfs/dbraw/zinc/00/32/66/573003266.db2.gz	RPGDQRRXDQSVSA-UHFFFAOYSA-N	0	0	198.649	3.028	10	0		AGAERN
CC1=C(c2ccccc2)[C@H](O)CCC1	238250711	573003458	/nfs/dbraw/zinc/00/34/58/573003458.db2.gz	HPVBQVLSLWDJJG-GFCCVEGCSA-N	0	0	188.270	3.005	10	0		AGAERN
COC(=O)Sc1ccc(C)cc1C	259308228	573003731	/nfs/dbraw/zinc/00/37/31/573003731.db2.gz	UYZRRWDZDPLHDX-UHFFFAOYSA-N	0	0	196.271	3.162	10	0		AGAERN
CCCC(=O)CC/C=C(/C)Cl	224320866	573004648	/nfs/dbraw/zinc/00/46/48/573004648.db2.gz	XYZKGKDGYLTTHO-VURMDHGXSA-N	0	0	174.671	3.278	10	0		AGAERN
CC(C)(C)c1cc(C(C)(C)C)ncn1	113466769	573005025	/nfs/dbraw/zinc/00/50/25/573005025.db2.gz	JMMNMQZYGKZKEA-UHFFFAOYSA-N	0	0	192.306	3.072	10	0		AGAERN
CCC(CC)CNc1cnc(C)s1	308220413	573005231	/nfs/dbraw/zinc/00/52/31/573005231.db2.gz	KYRUEEPWPNXIKF-UHFFFAOYSA-N	0	0	198.335	3.300	10	0		AGAERN
CC[C@]1(C)CNc2ccc(C)cc2N1	76861044	573005460	/nfs/dbraw/zinc/00/54/60/573005460.db2.gz	MHZKJFVJSMXZCM-GFCCVEGCSA-N	0	0	190.290	3.001	10	0		AGAERN
CCc1cc(NCCCF)ccc1F	690115248	573005464	/nfs/dbraw/zinc/00/54/64/573005464.db2.gz	ZTYMSJHFKIOVCT-UHFFFAOYSA-N	0	0	199.244	3.160	10	0		AGAERN
CCCC(=O)[C@@]1(C)C=CCCC1	238244490	573005583	/nfs/dbraw/zinc/00/55/83/573005583.db2.gz	KCWJGCGKMWCFNT-NSHDSACASA-N	0	0	166.264	3.102	10	0		AGAERN
C=Cc1nc(C(C(C)C)C(C)C)no1	308473935	573005619	/nfs/dbraw/zinc/00/56/19/573005619.db2.gz	KHAQJFUXMQGGAU-UHFFFAOYSA-N	0	0	194.278	3.108	10	0		AGAERN
CCCNc1c(C)cccc1Cl	85387753	573005725	/nfs/dbraw/zinc/00/57/25/573005725.db2.gz	FJCRYGFEWPPZRX-UHFFFAOYSA-N	0	0	183.682	3.470	10	0		AGAERN
Cc1ccc2c(c1)c(C=O)cn2C1CC1	258213425	573006526	/nfs/dbraw/zinc/00/65/26/573006526.db2.gz	XXJUZMMIGWAXBG-UHFFFAOYSA-N	0	0	199.253	3.097	10	0		AGAERN
CC1=C2CCCC[C@@]2(CO)CCC1	238252062	573006868	/nfs/dbraw/zinc/00/68/68/573006868.db2.gz	KQOUQZSODUPWKF-LBPRGKRZSA-N	0	0	180.291	3.040	10	0		AGAERN
Cc1ccc(C(C)C)cc1OCCF	87924073	573006702	/nfs/dbraw/zinc/00/67/02/573006702.db2.gz	JJSUYEFWFOIZLE-UHFFFAOYSA-N	0	0	196.265	3.467	10	0		AGAERN
C/C=C\[C@H](C)c1ccc(O)cc1OC	224336114	573006757	/nfs/dbraw/zinc/00/67/57/573006757.db2.gz	UCWCGEUHGVXZEP-WBSSQXGSSA-N	0	0	192.258	3.080	10	0		AGAERN
CC(C)c1ccc(F)c(C(C)(C)O)c1	258214199	573006766	/nfs/dbraw/zinc/00/67/66/573006766.db2.gz	ZQDUTAXTSORWBP-UHFFFAOYSA-N	0	0	196.265	3.177	10	0		AGAERN
CCNc1cc(Cl)ccc1CC	238251642	573006821	/nfs/dbraw/zinc/00/68/21/573006821.db2.gz	UQSRFQQYAKSJSZ-UHFFFAOYSA-N	0	0	183.682	3.334	10	0		AGAERN
CC1=C2CCC(=O)C[C@@H]2CCCC1	238251450	573006926	/nfs/dbraw/zinc/00/69/26/573006926.db2.gz	POOZGPPBFLLINJ-JTQLQIEISA-N	0	0	178.275	3.246	10	0		AGAERN
Cc1ccc(F)c2sccc12	113491498	573006974	/nfs/dbraw/zinc/00/69/74/573006974.db2.gz	OSTKVPQDRZPBNF-UHFFFAOYSA-N	0	0	166.220	3.349	10	0		AGAERN
CNc1cccc(SC(C)C)c1	259308341	573006992	/nfs/dbraw/zinc/00/69/92/573006992.db2.gz	VCDAYHKORQUPND-UHFFFAOYSA-N	0	0	181.304	3.229	10	0		AGAERN
CC1=C2CCCC[C@@]2(C)C(=O)CC1	238252001	573007127	/nfs/dbraw/zinc/00/71/27/573007127.db2.gz	ZBVCXYDOOPXAGF-GFCCVEGCSA-N	0	0	178.275	3.246	10	0		AGAERN
CCC1(C(=O)CC2CCCC2)CC1	308221658	573007175	/nfs/dbraw/zinc/00/71/75/573007175.db2.gz	ONSXCVCOHIGHAO-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
CC[C@@]1(O)CCC[C@@H](CC(C)C)C1	196991174	573007227	/nfs/dbraw/zinc/00/72/27/573007227.db2.gz	LJJMGWIGCXNWJA-NWDGAFQWSA-N	0	0	184.323	3.364	10	0		AGAERN
CC1=C2CCC(=O)C[C@H]2CCCC1	238251489	573007313	/nfs/dbraw/zinc/00/73/13/573007313.db2.gz	POOZGPPBFLLINJ-SNVBAGLBSA-N	0	0	178.275	3.246	10	0		AGAERN
CC1=C2CCCCC[C@@]2(CO)CCC1	238251854	573008193	/nfs/dbraw/zinc/00/81/93/573008193.db2.gz	JMYVPFOSYQFWGY-ZDUSSCGKSA-N	0	0	194.318	3.430	10	0		AGAERN
CC[C@]1(O)CCC[C@@H](CC(C)C)C1	196991169	573009191	/nfs/dbraw/zinc/00/91/91/573009191.db2.gz	LJJMGWIGCXNWJA-RYUDHWBXSA-N	0	0	184.323	3.364	10	0		AGAERN
CC/C=C/C(=O)O[C@@H](C)CCCC	308222296	573008617	/nfs/dbraw/zinc/00/86/17/573008617.db2.gz	LTISJHQXCUQDRU-PCYYEKQGSA-N	0	0	184.279	3.075	10	0		AGAERN
CCC(C)(C)C(=O)c1ccccc1O	238251461	573008664	/nfs/dbraw/zinc/00/86/64/573008664.db2.gz	ULVLKTVJCJDLIC-UHFFFAOYSA-N	0	0	192.258	3.011	10	0		AGAERN
Nc1ccccc1C1CCC(F)CC1	259598774	573008672	/nfs/dbraw/zinc/00/86/72/573008672.db2.gz	CYWTTWOONNYEFT-UHFFFAOYSA-N	0	0	193.265	3.265	10	0		AGAERN
COc1cccc(C)c1C(C)C	113476258	573008981	/nfs/dbraw/zinc/00/89/81/573008981.db2.gz	JNPHEIZBZIJXGO-UHFFFAOYSA-N	0	0	164.248	3.127	10	0		AGAERN
CC1=C2CCCC[C@]2(C)C(=O)CC1	238252256	573008986	/nfs/dbraw/zinc/00/89/86/573008986.db2.gz	ZBVCXYDOOPXAGF-LBPRGKRZSA-N	0	0	178.275	3.246	10	0		AGAERN
CCCC[C@H]1Nc2ccccc2CO1	238251094	573008995	/nfs/dbraw/zinc/00/89/95/573008995.db2.gz	ONFVFGLOFNWFMC-LBPRGKRZSA-N	0	0	191.274	3.145	10	0		AGAERN
Cc1ccccc1CCn1cccc1	82375468	573009031	/nfs/dbraw/zinc/00/90/31/573009031.db2.gz	MPXDQYXHKYDRBZ-UHFFFAOYSA-N	0	0	185.270	3.039	10	0		AGAERN
Cc1ccc(F)c2ccsc12	113490487	573009045	/nfs/dbraw/zinc/00/90/45/573009045.db2.gz	LIBNHFPJSNNXHK-UHFFFAOYSA-N	0	0	166.220	3.349	10	0		AGAERN
CC[C@]1(O)CCC[C@H](CC(C)C)C1	196991154	573010016	/nfs/dbraw/zinc/01/00/16/573010016.db2.gz	LJJMGWIGCXNWJA-NEPJUHHUSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(CC)C[C@@H](C(C)C)[C@H](C)O	128303511	573009283	/nfs/dbraw/zinc/00/92/83/573009283.db2.gz	GGFBLQUKOOMYEU-JQWIXIFHSA-N	0	0	186.339	3.466	10	0		AGAERN
CC1=C2CCCC[C@]2(CO)CCC1	238252302	573009814	/nfs/dbraw/zinc/00/98/14/573009814.db2.gz	KQOUQZSODUPWKF-GFCCVEGCSA-N	0	0	180.291	3.040	10	0		AGAERN
CC(C)CC[C@@](C)(O)Cc1ccco1	308474388	573009944	/nfs/dbraw/zinc/00/99/44/573009944.db2.gz	KMPPUJMIWYAVQA-GFCCVEGCSA-N	0	0	196.290	3.009	10	0		AGAERN
CC1=C2CCCCC[C@]2(CO)CCC1	238251870	573010676	/nfs/dbraw/zinc/01/06/76/573010676.db2.gz	JMYVPFOSYQFWGY-CYBMUJFWSA-N	0	0	194.318	3.430	10	0		AGAERN
Cc1nc(C(C)(C)C)sc1Cl	259309057	573010663	/nfs/dbraw/zinc/01/06/63/573010663.db2.gz	NNGHKVRWTNSQPQ-UHFFFAOYSA-N	0	0	189.711	3.402	10	0		AGAERN
S=c1sc2c(s1)SCC2	141755926	573010903	/nfs/dbraw/zinc/01/09/03/573010903.db2.gz	YPWKFPURRWEPAF-UHFFFAOYSA-N	0	0	192.355	3.187	10	0		AGAERN
CC1=C[C@@]2(C)CCCC[C@@H](C1)C2=O	238252328	573010984	/nfs/dbraw/zinc/01/09/84/573010984.db2.gz	ZOHKDKATIGQTGS-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)CC[C@](C)(O)Cc1ccco1	308474390	573011916	/nfs/dbraw/zinc/01/19/16/573011916.db2.gz	KMPPUJMIWYAVQA-LBPRGKRZSA-N	0	0	196.290	3.009	10	0		AGAERN
CC[C@H](C)c1cc(C)cc(C=O)c1O	113542195	573011917	/nfs/dbraw/zinc/01/19/17/573011917.db2.gz	MSZOEQSRBGEZHV-VIFPVBQESA-N	0	0	192.258	3.027	10	0		AGAERN
CC[C@@H](F)CSCc1ccccn1	308221529	573011842	/nfs/dbraw/zinc/01/18/42/573011842.db2.gz	LKWCJXMLWRDXHL-SECBINFHSA-N	0	0	199.294	3.063	10	0		AGAERN
CCC(CC)C[C@H](C(C)C)[C@@H](C)O	128303292	573012484	/nfs/dbraw/zinc/01/24/84/573012484.db2.gz	GGFBLQUKOOMYEU-ZYHUDNBSSA-N	0	0	186.339	3.466	10	0		AGAERN
CC1=C2CCCC[C@]23CC[C@H](O)[C@@]13C	238252362	573013009	/nfs/dbraw/zinc/01/30/09/573013009.db2.gz	ATKFKORPKVMTKC-XQQFMLRXSA-N	0	0	192.302	3.038	10	0		AGAERN
CCC(CC)C[C@H](C(C)C)[C@H](C)O	128303729	573013188	/nfs/dbraw/zinc/01/31/88/573013188.db2.gz	GGFBLQUKOOMYEU-CMPLNLGQSA-N	0	0	186.339	3.466	10	0		AGAERN
CCCC[N@H+](C)[C@H](C)CC(F)(F)F	308224882	573013840	/nfs/dbraw/zinc/01/38/40/573013840.db2.gz	MOOCYDYSYCRCNL-MRVPVSSYSA-N	0	0	197.244	3.059	10	0		AGAERN
Cc1ccc(-c2coc(Cl)n2)cc1	141702822	573014665	/nfs/dbraw/zinc/01/46/65/573014665.db2.gz	ISUNKJNAOZHLRN-UHFFFAOYSA-N	0	0	193.633	3.303	10	0		AGAERN
CCNc1nc(C)c(C(C)(C)C)s1	238257015	573014742	/nfs/dbraw/zinc/01/47/42/573014742.db2.gz	WBLRUSLIZPZOJK-UHFFFAOYSA-N	0	0	198.335	3.181	10	0		AGAERN
CC(C)C[C@H](C)Oc1cccc(O)c1	308480097	573014831	/nfs/dbraw/zinc/01/48/31/573014831.db2.gz	MKTBZLNXPHWIRS-JTQLQIEISA-N	0	0	194.274	3.206	10	0		AGAERN
CCCC[N@H+](C)[C@@H](C)CC(F)(F)F	308224885	573015930	/nfs/dbraw/zinc/01/59/30/573015930.db2.gz	MOOCYDYSYCRCNL-QMMMGPOBSA-N	0	0	197.244	3.059	10	0		AGAERN
CC(C)C[C@@H](C)Oc1cccc(O)c1	308480100	573015966	/nfs/dbraw/zinc/01/59/66/573015966.db2.gz	MKTBZLNXPHWIRS-SNVBAGLBSA-N	0	0	194.274	3.206	10	0		AGAERN
CCCN(CCC)c1cccc(C)n1	308475790	573016018	/nfs/dbraw/zinc/01/60/18/573016018.db2.gz	JJYYQQAMFKBCOS-UHFFFAOYSA-N	0	0	192.306	3.016	10	0		AGAERN
CC1=C2CCCC[C@]23CC[C@@H](O)[C@@]13C	238252340	573016123	/nfs/dbraw/zinc/01/61/23/573016123.db2.gz	ATKFKORPKVMTKC-UPJWGTAASA-N	0	0	192.302	3.038	10	0		AGAERN
Nc1ccc2c(Cl)cccc2c1F	258226205	573017572	/nfs/dbraw/zinc/01/75/72/573017572.db2.gz	ZAKQHZHRCKHXRU-UHFFFAOYSA-N	0	0	195.624	3.215	10	0		AGAERN
CCCCCC[C@H]1C=C(C)[C@@H](O)C1	308226518	573017926	/nfs/dbraw/zinc/01/79/26/573017926.db2.gz	QWOMDJWQHKUSSS-RYUDHWBXSA-N	0	0	182.307	3.284	10	0		AGAERN
CCC[C@@H](C)Oc1ccc(C=O)cc1	145933604	573018245	/nfs/dbraw/zinc/01/82/45/573018245.db2.gz	PQIWDFGVKCAFGJ-SNVBAGLBSA-N	0	0	192.258	3.067	10	0		AGAERN
CCNc1ccc(Cl)cc1[S-]	238253509	573018260	/nfs/dbraw/zinc/01/82/60/573018260.db2.gz	ZDRCMNDAIOYDRZ-UHFFFAOYSA-N	0	0	187.695	3.061	10	0		AGAERN
CCCCCC[C@@H]1C=C(C)[C@H](O)C1	308226519	573018391	/nfs/dbraw/zinc/01/83/91/573018391.db2.gz	QWOMDJWQHKUSSS-VXGBXAGGSA-N	0	0	182.307	3.284	10	0		AGAERN
CCCCc1ccc(O)cc1C	113592523	573018517	/nfs/dbraw/zinc/01/85/17/573018517.db2.gz	AQYZKRQOFWCCAY-UHFFFAOYSA-N	0	0	164.248	3.043	10	0		AGAERN
CC1=CC2=CCCC(=O)[C@@]2(C)CC1	238257103	573018607	/nfs/dbraw/zinc/01/86/07/573018607.db2.gz	PDHFAMWBTVRITK-LBPRGKRZSA-N	0	0	176.259	3.022	10	0		AGAERN
CCC(CC)C[C@H](C)[C@@H](O)CC	128306968	573018910	/nfs/dbraw/zinc/01/89/10/573018910.db2.gz	HJSNQLDWURFOES-ONGXEEELSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC(CC)[C@H](O)C(C1CC1)C1CC1	308484628	573019263	/nfs/dbraw/zinc/01/92/63/573019263.db2.gz	OHFKUXSRJHSWAC-ZDUSSCGKSA-N	0	0	196.334	3.220	10	0		AGAERN
CCOC(=O)/C=C/C=C\C(CC)CC	308483421	573019317	/nfs/dbraw/zinc/01/93/17/573019317.db2.gz	ZGSKVCQEHQXGIF-FKJILZIQSA-N	0	0	196.290	3.098	10	0		AGAERN
CCO[C@@H](C)c1c[nH]c2ccccc12	238253916	573019463	/nfs/dbraw/zinc/01/94/63/573019463.db2.gz	KZOWDIKCDPVZLF-VIFPVBQESA-N	0	0	189.258	3.265	10	0		AGAERN
CCCCC(=O)c1cnc(C)c(C)c1	308483642	573020007	/nfs/dbraw/zinc/02/00/07/573020007.db2.gz	NMGBQZIBICYMLZ-UHFFFAOYSA-N	0	0	191.274	3.071	10	0		AGAERN
CCC(CC)[C@@H](O)C(C1CC1)C1CC1	308484625	573019889	/nfs/dbraw/zinc/01/98/89/573019889.db2.gz	OHFKUXSRJHSWAC-CYBMUJFWSA-N	0	0	196.334	3.220	10	0		AGAERN
Cc1sc2ccc(N)cc2c1C	141707792	573020358	/nfs/dbraw/zinc/02/03/58/573020358.db2.gz	FBXZVGLUNKLFAR-UHFFFAOYSA-N	0	0	177.272	3.100	10	0		AGAERN
CCCCCC[C@H]1C=C(C)[C@H](O)C1	308226517	573020428	/nfs/dbraw/zinc/02/04/28/573020428.db2.gz	QWOMDJWQHKUSSS-NWDGAFQWSA-N	0	0	182.307	3.284	10	0		AGAERN
CCC[C@H](C)C(=O)C(C1CC1)C1CC1	308482876	573020632	/nfs/dbraw/zinc/02/06/32/573020632.db2.gz	NPLSQTYJJLSLDV-VIFPVBQESA-N	0	0	194.318	3.428	10	0		AGAERN
CCC(CC)C[C@@H](C)[C@@H](O)CC	128306737	573020982	/nfs/dbraw/zinc/02/09/82/573020982.db2.gz	HJSNQLDWURFOES-KOLCDFICSA-N	0	0	172.312	3.220	10	0		AGAERN
CC(C)(C)CC[C@](C)(O)c1ccc[nH]1	308483939	573021238	/nfs/dbraw/zinc/02/12/38/573021238.db2.gz	OANGEEBFFVOTMS-LBPRGKRZSA-N	0	0	195.306	3.049	10	0		AGAERN
CCCC[C@]1(C)C[C@H]1[C@@H](O)C(C)C	308225605	573021316	/nfs/dbraw/zinc/02/13/16/573021316.db2.gz	QLNJICLYZAMQMV-SDDRHHMPSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H](C)OCOc1ccc(C)cc1	308484912	573021424	/nfs/dbraw/zinc/02/14/24/573021424.db2.gz	NUXCJSMEDSDDCD-NSHDSACASA-N	0	0	194.274	3.146	10	0		AGAERN
CC(C)(C)CC[C@@](C)(O)c1ccc[nH]1	308483938	573021557	/nfs/dbraw/zinc/02/15/57/573021557.db2.gz	OANGEEBFFVOTMS-GFCCVEGCSA-N	0	0	195.306	3.049	10	0		AGAERN
CCC(=O)CC[C@@H](C)C(C)(C)C	224455038	573021910	/nfs/dbraw/zinc/02/19/10/573021910.db2.gz	IUSSIFMGWOQKPS-SECBINFHSA-N	0	0	170.296	3.428	10	0		AGAERN
CCNc1cccc(Cl)c1CC	238254565	573022015	/nfs/dbraw/zinc/02/20/15/573022015.db2.gz	DBQSFGMTVDLRTK-UHFFFAOYSA-N	0	0	183.682	3.334	10	0		AGAERN
CCC[C@@H](C)C(=O)C(C1CC1)C1CC1	308482874	573022085	/nfs/dbraw/zinc/02/20/85/573022085.db2.gz	NPLSQTYJJLSLDV-SECBINFHSA-N	0	0	194.318	3.428	10	0		AGAERN
CCNc1cccc2oc(C)c(C)c12	238254812	573022129	/nfs/dbraw/zinc/02/21/29/573022129.db2.gz	JQKBNQZSMDYFNZ-UHFFFAOYSA-N	0	0	189.258	3.481	10	0		AGAERN
c1ccc2c(c1)CCCCCCN2	113690520	573022136	/nfs/dbraw/zinc/02/21/36/573022136.db2.gz	AVQSBCUVZLVLTM-UHFFFAOYSA-N	0	0	175.275	3.215	10	0		AGAERN
C[C@H]1CC(C)(C)Nc2ccccc2N1	113685706	573022384	/nfs/dbraw/zinc/02/23/84/573022384.db2.gz	PYDAWVBZCVMXFL-VIFPVBQESA-N	0	0	190.290	3.081	10	0		AGAERN
CCC[C@@H](O)/C(C)=C/c1ccccc1	35962394	573022476	/nfs/dbraw/zinc/02/24/76/573022476.db2.gz	CYBDPRHGMYVRPU-OCHBPSSRSA-N	0	0	190.286	3.251	10	0		AGAERN
CC(C)C[C@H](C)Oc1cccnc1F	308484686	573022493	/nfs/dbraw/zinc/02/24/93/573022493.db2.gz	OIHHNIAFDTYIRD-VIFPVBQESA-N	0	0	197.253	3.034	10	0		AGAERN
CC(C)CCC[C@]1(O)CCC[C@@H]2C[C@@H]21	308483353	573022614	/nfs/dbraw/zinc/02/26/14/573022614.db2.gz	NUVVQQJCZMGYCE-AGIUHOORSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1cccc([C@H](O)CCCCF)c1	308476676	573022738	/nfs/dbraw/zinc/02/27/38/573022738.db2.gz	DWYRVZNRFWRLLP-GFCCVEGCSA-N	0	0	196.265	3.168	10	0		AGAERN
CC[C@@H](C)OCOc1ccc(C)cc1	308484911	573023744	/nfs/dbraw/zinc/02/37/44/573023744.db2.gz	NUXCJSMEDSDDCD-LLVKDONJSA-N	0	0	194.274	3.146	10	0		AGAERN
CCCCCCC1=C(CC)[C@@H]1CO	308227304	573024471	/nfs/dbraw/zinc/02/44/71/573024471.db2.gz	RHWADYMEYGYJRG-LBPRGKRZSA-N	0	0	182.307	3.286	10	0		AGAERN
CCCCCCC1=C(CC)[C@H]1CO	308227303	573025213	/nfs/dbraw/zinc/02/52/13/573025213.db2.gz	RHWADYMEYGYJRG-GFCCVEGCSA-N	0	0	182.307	3.286	10	0		AGAERN
CCC(=O)[C@H](CC)c1cccc(C)c1	308478599	573025825	/nfs/dbraw/zinc/02/58/25/573025825.db2.gz	FVJXFGSPQBCZPY-GFCCVEGCSA-N	0	0	190.286	3.468	10	0		AGAERN
CC[C@@H]1CCCc2cc(C=O)ccc21	113684469	573026368	/nfs/dbraw/zinc/02/63/68/573026368.db2.gz	HIOBTTOWRJZBKD-LLVKDONJSA-N	0	0	188.270	3.329	10	0		AGAERN
Cc1cccc([C@@H](O)CCCCF)c1	308476677	573026541	/nfs/dbraw/zinc/02/65/41/573026541.db2.gz	DWYRVZNRFWRLLP-LBPRGKRZSA-N	0	0	196.265	3.168	10	0		AGAERN
CC1(C)N=NC(C)(C)C1=CCl	238255659	573026570	/nfs/dbraw/zinc/02/65/70/573026570.db2.gz	SSZQDMTUFOHDKX-UHFFFAOYSA-N	0	0	172.659	3.132	10	0		AGAERN
Cc1ccc(Oc2ccncc2C)cc1	308840633	573026962	/nfs/dbraw/zinc/02/69/62/573026962.db2.gz	NFVCUFWSSBFOHH-UHFFFAOYSA-N	0	0	199.253	3.491	10	0		AGAERN
C/C=C\C=C=C[C@@H]1CCCC(=O)C1	224505380	573027081	/nfs/dbraw/zinc/02/70/81/573027081.db2.gz	HLHQUNGUXPVDMB-GOGWBULFSA-N	0	0	176.259	3.033	10	0		AGAERN
CCOc1c(C(C)C)ccc(C)c1N	238257241	573027106	/nfs/dbraw/zinc/02/71/06/573027106.db2.gz	SURCDNUJHDFBFF-UHFFFAOYSA-N	0	0	193.290	3.099	10	0		AGAERN
CCC(=O)[C@@H](CC)c1cccc(C)c1	308478600	573027732	/nfs/dbraw/zinc/02/77/32/573027732.db2.gz	FVJXFGSPQBCZPY-LBPRGKRZSA-N	0	0	190.286	3.468	10	0		AGAERN
CCCC(C)(C)[C@@H]1CCCC[C@H]1O	238248435	573027770	/nfs/dbraw/zinc/02/77/70/573027770.db2.gz	RENUEUBPXKJGNQ-GHMZBOCLSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@@H]1COc2cscc2O1	113793818	573027801	/nfs/dbraw/zinc/02/78/01/573027801.db2.gz	NNIKSVAOFGELNT-MRVPVSSYSA-N	0	0	198.287	3.078	10	0		AGAERN
c1cc(NC2CCCC2)cs1	82409709	573028095	/nfs/dbraw/zinc/02/80/95/573028095.db2.gz	OWQDRMFKRZBSRS-UHFFFAOYSA-N	0	0	167.277	3.103	10	0		AGAERN
CCSCc1cn(C(C)C)c(C)n1	258230798	573029519	/nfs/dbraw/zinc/02/95/19/573029519.db2.gz	PWYJVMVLKUMSJY-UHFFFAOYSA-N	0	0	198.335	3.026	10	0		AGAERN
CCCCC[C@@H]1C[C@]1(C)[C@H](O)CC	308230490	573029520	/nfs/dbraw/zinc/02/95/20/573029520.db2.gz	SNLRKRHAXHWARV-UTUOFQBUSA-N	0	0	184.323	3.364	10	0		AGAERN
C=Cc1ccc(F)c(C(F)(F)F)c1	113738683	573030605	/nfs/dbraw/zinc/03/06/05/573030605.db2.gz	JMOIDWXRUSAWHV-UHFFFAOYSA-N	0	0	190.139	3.488	10	0		AGAERN
Cc1ccc2scc([C@@H](C)O)c2c1	257931855	573031317	/nfs/dbraw/zinc/03/13/17/573031317.db2.gz	PXJWDPKHBVFROS-MRVPVSSYSA-N	0	0	192.283	3.263	10	0		AGAERN
CC(C)CCC[C@@]1(O)CCC1(C)C	308235825	573031427	/nfs/dbraw/zinc/03/14/27/573031427.db2.gz	VZSGWJYRDOYGAX-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC1CCC(C(=O)c2ccc[nH]2)CC1	123462757	573031970	/nfs/dbraw/zinc/03/19/70/573031970.db2.gz	KNZGFXSEJXZHLO-UHFFFAOYSA-N	0	0	191.274	3.024	10	0		AGAERN
CC1=C([C@H](O)c2ccccc2)C1(C)C	238249700	573033356	/nfs/dbraw/zinc/03/33/56/573033356.db2.gz	RRRJXGPWTZLRGZ-GFCCVEGCSA-N	0	0	188.270	3.076	10	0		AGAERN
C[C@@H]1C[C@]1(C)CNc1ccsc1	714619077	573033425	/nfs/dbraw/zinc/03/34/25/573033425.db2.gz	FFZBEWANELPCGP-PSASIEDQSA-N	0	0	181.304	3.206	10	0		AGAERN
CCCC(C)(C)[C@H]1CCCC[C@H]1O	238248606	573033739	/nfs/dbraw/zinc/03/37/39/573033739.db2.gz	RENUEUBPXKJGNQ-WDEREUQCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC1=C([C@H](O)C2CCCCC2)C1(C)C	238249639	573033837	/nfs/dbraw/zinc/03/38/37/573033837.db2.gz	GSUREEJDDDCQQC-GFCCVEGCSA-N	0	0	194.318	3.284	10	0		AGAERN
C[C@@H]1C[C@@]1(C)CNc1ccsc1	714619084	573034137	/nfs/dbraw/zinc/03/41/37/573034137.db2.gz	FFZBEWANELPCGP-SCZZXKLOSA-N	0	0	181.304	3.206	10	0		AGAERN
CC1(C)CCC[C@]2(C)C[C@H](O)CC[C@@H]12	141821250	573034216	/nfs/dbraw/zinc/03/42/16/573034216.db2.gz	HOHOHOZRWZCOOX-NTZNESFSSA-N	0	0	196.334	3.364	10	0		AGAERN
Cl/C=C\C=C\c1ccccc1	113871526	573034260	/nfs/dbraw/zinc/03/42/60/573034260.db2.gz	IBQSWRZSFAZZQG-HXGSSHHBSA-N	0	0	164.635	3.452	10	0		AGAERN
CC(C)c1c(O)cnc2ccccc12	257925777	573034502	/nfs/dbraw/zinc/03/45/02/573034502.db2.gz	SDEDFOOLUMXKIH-UHFFFAOYSA-N	0	0	187.242	3.064	10	0		AGAERN
Cc1ccc2cc([C@@H](C)O)sc2c1	257926511	573034849	/nfs/dbraw/zinc/03/48/49/573034849.db2.gz	PEUGAXVNGXTIBS-MRVPVSSYSA-N	0	0	192.283	3.263	10	0		AGAERN
CCCC(C)(C)[C@H]1CCCC[C@@H]1O	238248596	573034530	/nfs/dbraw/zinc/03/45/30/573034530.db2.gz	RENUEUBPXKJGNQ-QWRGUYRKSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@H]1Nc2ccccc2[C@H]1C	238249188	573034610	/nfs/dbraw/zinc/03/46/10/573034610.db2.gz	GEZURHQGAYPNKY-MWLCHTKSSA-N	0	0	175.275	3.384	10	0		AGAERN
CC1=C([C@]2(C)CCCC2=O)CCC1	238249887	573034741	/nfs/dbraw/zinc/03/47/41/573034741.db2.gz	VVSRKANLMZNXOV-LBPRGKRZSA-N	0	0	178.275	3.246	10	0		AGAERN
CCC(=S)Nc1ccc(C)cc1	238249457	573035040	/nfs/dbraw/zinc/03/50/40/573035040.db2.gz	ARWGDJMGXLSKLT-UHFFFAOYSA-N	0	0	179.288	3.144	10	0		AGAERN
CCC(=S)Nc1cccc(C)c1	238249505	573034908	/nfs/dbraw/zinc/03/49/08/573034908.db2.gz	SGJOLVBTNFRREM-UHFFFAOYSA-N	0	0	179.288	3.144	10	0		AGAERN
C[C@H]1C[C@]1(C)CNc1ccsc1	714619087	573035189	/nfs/dbraw/zinc/03/51/89/573035189.db2.gz	FFZBEWANELPCGP-WCBMZHEXSA-N	0	0	181.304	3.206	10	0		AGAERN
CCCC[C@H]1OCc2cc(O)ccc21	238248636	573035191	/nfs/dbraw/zinc/03/51/91/573035191.db2.gz	YWGZPJJIQMLJIV-GFCCVEGCSA-N	0	0	192.258	3.154	10	0		AGAERN
CC1=C([C@@H](O)C2CCCCC2)C1(C)C	238249277	573035000	/nfs/dbraw/zinc/03/50/00/573035000.db2.gz	GSUREEJDDDCQQC-LBPRGKRZSA-N	0	0	194.318	3.284	10	0		AGAERN
C[C@H]1C[C@@]1(C)CNc1ccsc1	714619090	573035054	/nfs/dbraw/zinc/03/50/54/573035054.db2.gz	FFZBEWANELPCGP-WPRPVWTQSA-N	0	0	181.304	3.206	10	0		AGAERN
CCC[C@H]1Nc2ccccc2[C@@H]1C	238249155	573035270	/nfs/dbraw/zinc/03/52/70/573035270.db2.gz	GEZURHQGAYPNKY-GXSJLCMTSA-N	0	0	175.275	3.384	10	0		AGAERN
CCNc1c(C)cc(C)cc1OCC	238248907	573035300	/nfs/dbraw/zinc/03/53/00/573035300.db2.gz	YCLPIYDZXXQACE-UHFFFAOYSA-N	0	0	193.290	3.134	10	0		AGAERN
Cc1ccc2cc([C@H](C)O)sc2c1	257926512	573035393	/nfs/dbraw/zinc/03/53/93/573035393.db2.gz	PEUGAXVNGXTIBS-QMMMGPOBSA-N	0	0	192.283	3.263	10	0		AGAERN
Cc1c(Cl)n(C)c2cc(F)ccc12	257925565	573035574	/nfs/dbraw/zinc/03/55/74/573035574.db2.gz	KGSMFXUHBJSRRK-UHFFFAOYSA-N	0	0	197.640	3.279	10	0		AGAERN
CCC1(C(=O)Cc2ccsc2)CC1	308235782	573035726	/nfs/dbraw/zinc/03/57/26/573035726.db2.gz	VWTOCDAMNXGREY-UHFFFAOYSA-N	0	0	194.299	3.050	10	0		AGAERN
CC(C)CCC[C@]1(O)CCC1(C)C	308235826	573035814	/nfs/dbraw/zinc/03/58/14/573035814.db2.gz	VZSGWJYRDOYGAX-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CC1(C)C[C@H](O)CC2=C1CCCC2	238248580	573035996	/nfs/dbraw/zinc/03/59/96/573035996.db2.gz	ZXMHYQOZUAJQIY-SNVBAGLBSA-N	0	0	180.291	3.038	10	0		AGAERN
CCC(=S)Nc1ccccc1Cl	238249575	573036091	/nfs/dbraw/zinc/03/60/91/573036091.db2.gz	VIRUDIZSQMMLLM-UHFFFAOYSA-N	0	0	199.706	3.489	10	0		AGAERN
CC1=CC[C@]2(C)C(=O)CCC[C@@H]2C1	141800186	573036096	/nfs/dbraw/zinc/03/60/96/573036096.db2.gz	GIMQJNVHSNHOLP-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1=C([C@@H](O)c2ccccc2)C1(C)C	238249350	573036344	/nfs/dbraw/zinc/03/63/44/573036344.db2.gz	RRRJXGPWTZLRGZ-LBPRGKRZSA-N	0	0	188.270	3.076	10	0		AGAERN
C1=Cc2c([nH]c3ccccc23)CC1	113865209	573036656	/nfs/dbraw/zinc/03/66/56/573036656.db2.gz	ZECQLHQEHJJSAN-UHFFFAOYSA-N	0	0	169.227	3.127	10	0		AGAERN
CCCC[C@H]1[C@@H](CCC)CC[C@H]1O	308232860	573037101	/nfs/dbraw/zinc/03/71/01/573037101.db2.gz	UOFGCQJUNUQILT-SDDRHHMPSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H]1CCC[C@@](C)(CC)C1=O	238262310	573037649	/nfs/dbraw/zinc/03/76/49/573037649.db2.gz	QMDSHBORPPRVHZ-MWLCHTKSSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@H](C)c1ccc(O)c(F)c1	238260563	573037713	/nfs/dbraw/zinc/03/77/13/573037713.db2.gz	SIADQITYWWVRQW-QMMMGPOBSA-N	0	0	182.238	3.435	10	0		AGAERN
CCCC[C@H]1CCC2=C(CC[C@@H]2O)C1	238250204	573037728	/nfs/dbraw/zinc/03/77/28/573037728.db2.gz	DADCFVGGWHFWAS-GWCFXTLKSA-N	0	0	194.318	3.428	10	0		AGAERN
O=Cc1cccc(C2CC(F)(F)C2)c1	258228035	573037792	/nfs/dbraw/zinc/03/77/92/573037792.db2.gz	ZFRORLLAZSVXFY-UHFFFAOYSA-N	0	0	196.196	3.012	10	0		AGAERN
CC[C@H](O)[C@@H](C)CCC(C)(C)C	82447874	573044298	/nfs/dbraw/zinc/04/42/98/573044298.db2.gz	GWXTYSDYQUCBIS-UWVGGRQHSA-N	0	0	172.312	3.220	10	0		AGAERN
CCCC(=O)Cc1ccc(C)c(C)c1	49669254	573038440	/nfs/dbraw/zinc/03/84/40/573038440.db2.gz	LXPBNPKAHAJWGG-UHFFFAOYSA-N	0	0	190.286	3.215	10	0		AGAERN
Cc1cc(C)n(Cc2ccccc2)c1	224524104	573038658	/nfs/dbraw/zinc/03/86/58/573038658.db2.gz	DZJGSSHPTRPLBJ-UHFFFAOYSA-N	0	0	185.270	3.153	10	0		AGAERN
C=C=CCC[C@H]1CCCCCC1=O	224814542	573038762	/nfs/dbraw/zinc/03/87/62/573038762.db2.gz	HKXOYNVCMYQFQY-NSHDSACASA-N	0	0	178.275	3.257	10	0		AGAERN
C=CO[C@@H]1CCC[C@H](CC)C1	85503749	573049755	/nfs/dbraw/zinc/04/97/55/573049755.db2.gz	AFKKOIBWDUGJIG-VHSXEESVSA-N	0	0	154.253	3.115	10	0		AGAERN
CCC(=O)CCc1ccc(C)c(C)c1	49668915	573039104	/nfs/dbraw/zinc/03/91/04/573039104.db2.gz	LRDKULSWSMANQP-UHFFFAOYSA-N	0	0	190.286	3.215	10	0		AGAERN
CSCc1cc2ccc(C)cc2[nH]1	257925855	573039106	/nfs/dbraw/zinc/03/91/06/573039106.db2.gz	SEFWETCZHZQOCJ-UHFFFAOYSA-N	0	0	191.299	3.339	10	0		AGAERN
CCCC[C@@H]1[C@@H](O)CC[C@@H]1CCC	308232861	573040162	/nfs/dbraw/zinc/04/01/62/573040162.db2.gz	UOFGCQJUNUQILT-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)(C)c1nc(Cl)cs1	259316324	573039943	/nfs/dbraw/zinc/03/99/43/573039943.db2.gz	OBEBWRIGBYIPOC-UHFFFAOYSA-N	0	0	175.684	3.094	10	0		AGAERN
CCC[C@H](C)c1ccc(F)cc1O	238260455	573040166	/nfs/dbraw/zinc/04/01/66/573040166.db2.gz	AMLKUJLJMWABTQ-QMMMGPOBSA-N	0	0	182.238	3.435	10	0		AGAERN
CCc1cnc2ccccc2c1CC	141839670	573040013	/nfs/dbraw/zinc/04/00/13/573040013.db2.gz	ZXYNMZVLYWFUOI-UHFFFAOYSA-N	0	0	185.270	3.360	10	0		AGAERN
CC1(C)C[C@H]1c1cccc(Cl)c1N	238250425	573040215	/nfs/dbraw/zinc/04/02/15/573040215.db2.gz	MWMIJNKMDMPULY-QMMMGPOBSA-N	0	0	195.693	3.436	10	0		AGAERN
CCCC[C@@H]1[C@H](O)CC[C@H]1CCC	308232859	573040331	/nfs/dbraw/zinc/04/03/31/573040331.db2.gz	UOFGCQJUNUQILT-GRYCIOLGSA-N	0	0	184.323	3.364	10	0		AGAERN
C=C=CCC[C@@H]1CCCCCC1=O	224814498	573040452	/nfs/dbraw/zinc/04/04/52/573040452.db2.gz	HKXOYNVCMYQFQY-LLVKDONJSA-N	0	0	178.275	3.257	10	0		AGAERN
CC1(C)C[C@H]1c1ccc(Cl)cc1N	238250409	573041039	/nfs/dbraw/zinc/04/10/39/573041039.db2.gz	PSOGELSZYXEVFV-VIFPVBQESA-N	0	0	195.693	3.436	10	0		AGAERN
CCCC[C@H]1CCC2=C(CC[C@H]2O)C1	238250213	573041638	/nfs/dbraw/zinc/04/16/38/573041638.db2.gz	DADCFVGGWHFWAS-GXFFZTMASA-N	0	0	194.318	3.428	10	0		AGAERN
FCCCn1ccc2ccccc21	88027143	573043710	/nfs/dbraw/zinc/04/37/10/573043710.db2.gz	MZRXSPNABOAWCE-UHFFFAOYSA-N	0	0	177.222	3.001	10	0		AGAERN
Cc1cccc(C)c1NCCCF	88024850	573042373	/nfs/dbraw/zinc/04/23/73/573042373.db2.gz	PTSJDBYFHKBAPD-UHFFFAOYSA-N	0	0	181.254	3.075	10	0		AGAERN
CCCC[C@@H]1[C@@H](O)CC[C@H]1CCC	308232862	573042463	/nfs/dbraw/zinc/04/24/63/573042463.db2.gz	UOFGCQJUNUQILT-WOPDTQHZSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@H](C)c1ccc(C)c(N)c1	238260422	573042593	/nfs/dbraw/zinc/04/25/93/573042593.db2.gz	JHZMCIXUCWBEHQ-VIFPVBQESA-N	0	0	177.291	3.481	10	0		AGAERN
CCC(=O)c1c[nH]c2ccc(C)cc12	82452301	573042722	/nfs/dbraw/zinc/04/27/22/573042722.db2.gz	HKHBDLPMAPWSGX-UHFFFAOYSA-N	0	0	187.242	3.069	10	0		AGAERN
CSCc1cc2cccc(O)c2o1	257933586	573043013	/nfs/dbraw/zinc/04/30/13/573043013.db2.gz	UECZPBRJJHIVTA-UHFFFAOYSA-N	0	0	194.255	3.001	10	0		AGAERN
Cc1ccc2scc([C@H](C)O)c2c1	257933743	573043024	/nfs/dbraw/zinc/04/30/24/573043024.db2.gz	PXJWDPKHBVFROS-QMMMGPOBSA-N	0	0	192.283	3.263	10	0		AGAERN
Cc1cccc(NCCCF)c1C	88024439	573043514	/nfs/dbraw/zinc/04/35/14/573043514.db2.gz	HLBCGRUVXIOYPQ-UHFFFAOYSA-N	0	0	181.254	3.075	10	0		AGAERN
FCCCn1ccc2cc(F)ccc21	88027150	573043584	/nfs/dbraw/zinc/04/35/84/573043584.db2.gz	NIEFCDKFEARGCN-UHFFFAOYSA-N	0	0	195.212	3.140	10	0		AGAERN
CCc1ccc(C(C)C)cc1C=O	257928023	573043741	/nfs/dbraw/zinc/04/37/41/573043741.db2.gz	SKCCOCQOVIZZEL-UHFFFAOYSA-N	0	0	176.259	3.185	10	0		AGAERN
Cc1ccc(C)c(NCCCF)c1	88024441	573043752	/nfs/dbraw/zinc/04/37/52/573043752.db2.gz	KRVQZQWHFDMUQG-UHFFFAOYSA-N	0	0	181.254	3.075	10	0		AGAERN
Cc1ccc(NCCCF)c(C)c1	88024301	573043821	/nfs/dbraw/zinc/04/38/21/573043821.db2.gz	PJHYQMAFVKYOMD-UHFFFAOYSA-N	0	0	181.254	3.075	10	0		AGAERN
O=Cc1cccc2ccn(C3CCC3)c12	257928034	573043837	/nfs/dbraw/zinc/04/38/37/573043837.db2.gz	PHIYWNPXGZHXFB-UHFFFAOYSA-N	0	0	199.253	3.179	10	0		AGAERN
Cc1ccc2c(C)c(Cl)[nH]c2c1	257933426	573043921	/nfs/dbraw/zinc/04/39/21/573043921.db2.gz	KZADOHKFPGJJNG-UHFFFAOYSA-N	0	0	179.650	3.438	10	0		AGAERN
FCCCNc1ccccc1Cl	88024405	573044090	/nfs/dbraw/zinc/04/40/90/573044090.db2.gz	KUOTYGJVIKVEMN-UHFFFAOYSA-N	0	0	187.645	3.112	10	0		AGAERN
CCC(=O)C/C=C/c1ccccc1C	308234148	573044145	/nfs/dbraw/zinc/04/41/45/573044145.db2.gz	AVYRVYSQOQGSFM-RMKNXTFCSA-N	0	0	188.270	3.377	10	0		AGAERN
Cc1ccc(NCCCF)cc1C	88024395	573044263	/nfs/dbraw/zinc/04/42/63/573044263.db2.gz	NNMZMXPRZVGLPL-UHFFFAOYSA-N	0	0	181.254	3.075	10	0		AGAERN
CC/C=C/C(=O)O[C@@H](CC)CCC	308248279	573044269	/nfs/dbraw/zinc/04/42/69/573044269.db2.gz	ZDFMZBJFVWELIW-PCYYEKQGSA-N	0	0	184.279	3.075	10	0		AGAERN
CCC/C=C\C/C=C\CCCCO	224622029	573044479	/nfs/dbraw/zinc/04/44/79/573044479.db2.gz	JBDQGJULPSTQKW-UTOQUPLUSA-N	0	0	182.307	3.452	10	0		AGAERN
CC1=CC[C@@H]2CCCCC(=O)[C@@]12C	238259370	573044483	/nfs/dbraw/zinc/04/44/83/573044483.db2.gz	JFDYWOZZYQBYLW-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
FCCCNc1ccc(Cl)cc1	88024398	573045091	/nfs/dbraw/zinc/04/50/91/573045091.db2.gz	NYESJIDKQOOKOK-UHFFFAOYSA-N	0	0	187.645	3.112	10	0		AGAERN
CC1=C(C)C[C@@]2(C)[C@@H](O)CCC[C@@H]2C1	223862836	573045225	/nfs/dbraw/zinc/04/52/25/573045225.db2.gz	MIYDSBOEXNHKCN-FRRDWIJNSA-N	0	0	194.318	3.284	10	0		AGAERN
C/C=C\[C@@H](C)[C@H](O)C1CCCCC1	211968805	573046791	/nfs/dbraw/zinc/04/67/91/573046791.db2.gz	QBQDUIWBKOTEHU-VUFVLOIUSA-N	0	0	182.307	3.140	10	0		AGAERN
CCCCCC[C@@H](C)[C@H](O)CC	82448415	573045509	/nfs/dbraw/zinc/04/55/09/573045509.db2.gz	KWGNEVQOFIOSMR-GHMZBOCLSA-N	0	0	172.312	3.364	10	0		AGAERN
Cc1cc(C)c2c(C)c(C=O)oc2c1	77071138	573045884	/nfs/dbraw/zinc/04/58/84/573045884.db2.gz	YMGUOLWYOCSQDR-UHFFFAOYSA-N	0	0	188.226	3.171	10	0		AGAERN
Cc1cc(C)cc(NCCCF)c1	88024417	573045961	/nfs/dbraw/zinc/04/59/61/573045961.db2.gz	KSVWCQFGRGRSQK-UHFFFAOYSA-N	0	0	181.254	3.075	10	0		AGAERN
FCCCNc1cccc(Cl)c1	88024396	573045969	/nfs/dbraw/zinc/04/59/69/573045969.db2.gz	MVMBXDZIDBMIJH-UHFFFAOYSA-N	0	0	187.645	3.112	10	0		AGAERN
Cc1cc2ccccc2n1CCCF	88027144	573046575	/nfs/dbraw/zinc/04/65/75/573046575.db2.gz	JUIBMSHIQJQPSY-UHFFFAOYSA-N	0	0	191.249	3.309	10	0		AGAERN
CC/C=C/C(=O)O[C@H](CC)CCC	308248281	573046760	/nfs/dbraw/zinc/04/67/60/573046760.db2.gz	ZDFMZBJFVWELIW-TTZKWOQHSA-N	0	0	184.279	3.075	10	0		AGAERN
Cc1ccc(OCC(C)(C)C)cc1	113986611	573047592	/nfs/dbraw/zinc/04/75/92/573047592.db2.gz	SGYBIUXIZLWNBH-UHFFFAOYSA-N	0	0	178.275	3.420	10	0		AGAERN
CCC[C@@H](O)c1sc(C)cc1C	88047981	573047555	/nfs/dbraw/zinc/04/75/55/573047555.db2.gz	PZUGMLKUBAEUDP-SECBINFHSA-N	0	0	184.304	3.198	10	0		AGAERN
Cc1cc(C)c([C@H](O)CC(C)C)s1	88047908	573047692	/nfs/dbraw/zinc/04/76/92/573047692.db2.gz	VKSTWHZZBUUWAP-SNVBAGLBSA-N	0	0	198.331	3.444	10	0		AGAERN
Cc1cc(C)c(C(=O)C2CCC2)s1	88047266	573047745	/nfs/dbraw/zinc/04/77/45/573047745.db2.gz	ZBRSNPAQVGKFHB-UHFFFAOYSA-N	0	0	194.299	3.348	10	0		AGAERN
CC(C)(C)c1ccc(SCO)cc1	259317914	573047936	/nfs/dbraw/zinc/04/79/36/573047936.db2.gz	VYCRMVDWXNFMBL-UHFFFAOYSA-N	0	0	196.315	3.026	10	0		AGAERN
Cc1cc(C)c([C@@H](O)CC2CC2)s1	88047915	573048072	/nfs/dbraw/zinc/04/80/72/573048072.db2.gz	CSSAOZLTVQJYLH-JTQLQIEISA-N	0	0	196.315	3.198	10	0		AGAERN
Cc1cccc2c(N(C)C)cccc12	113899544	573048095	/nfs/dbraw/zinc/04/80/95/573048095.db2.gz	XJHSPROPUSPTNQ-UHFFFAOYSA-N	0	0	185.270	3.214	10	0		AGAERN
CCC(O)(CC)CCCC(F)(F)F	113952289	573048284	/nfs/dbraw/zinc/04/82/84/573048284.db2.gz	VMPKTIBMTKZGKY-UHFFFAOYSA-N	0	0	198.228	3.270	10	0		AGAERN
CC1=CC[C@@H]2CCCCC(=O)[C@]12C	238259363	573048349	/nfs/dbraw/zinc/04/83/49/573048349.db2.gz	JFDYWOZZYQBYLW-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1cc(C)c(C(=O)[C@@H]2C[C@H]2C)s1	88047272	573048360	/nfs/dbraw/zinc/04/83/60/573048360.db2.gz	FHQVXJIDUZDFCY-HZGVNTEJSA-N	0	0	194.299	3.204	10	0		AGAERN
Cc1cc(C)c(C(=O)C(C)C)s1	88047240	573048505	/nfs/dbraw/zinc/04/85/05/573048505.db2.gz	QHFZVDBJRAHGIA-UHFFFAOYSA-N	0	0	182.288	3.204	10	0		AGAERN
C=COc1ccc(Cl)cc1C	85503300	573048561	/nfs/dbraw/zinc/04/85/61/573048561.db2.gz	HCAHHUGEFMNRFY-UHFFFAOYSA-N	0	0	168.623	3.171	10	0		AGAERN
Cc1cc(C)c([C@H](O)C(C)(C)C)s1	88048036	573048568	/nfs/dbraw/zinc/04/85/68/573048568.db2.gz	SJTRGXHQHMYACJ-JTQLQIEISA-N	0	0	198.331	3.444	10	0		AGAERN
Cc1cc(C)c(C(=O)[C@@H]2C[C@@H]2C)s1	88047270	573048631	/nfs/dbraw/zinc/04/86/31/573048631.db2.gz	FHQVXJIDUZDFCY-IMTBSYHQSA-N	0	0	194.299	3.204	10	0		AGAERN
C=CO[C@H]1CCC[C@H](CC)C1	85503743	573048651	/nfs/dbraw/zinc/04/86/51/573048651.db2.gz	AFKKOIBWDUGJIG-UWVGGRQHSA-N	0	0	154.253	3.115	10	0		AGAERN
C=COCc1ccc(Cl)cc1	85503789	573048667	/nfs/dbraw/zinc/04/86/67/573048667.db2.gz	JYIPVOPVXAKLMQ-UHFFFAOYSA-N	0	0	168.623	3.000	10	0		AGAERN
Cc1cc(C)c([C@H](O)[C@H]2C[C@@H]2C)s1	88048014	573048746	/nfs/dbraw/zinc/04/87/46/573048746.db2.gz	FSEQFFGRPKOFPA-JMOVZRAMSA-N	0	0	196.315	3.054	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1sc(C)cc1C	88047994	573048753	/nfs/dbraw/zinc/04/87/53/573048753.db2.gz	LWHQODDUDHPOLL-GMSGAONNSA-N	0	0	198.331	3.444	10	0		AGAERN
CCC(=O)c1cccc2ccsc12	88038279	573048760	/nfs/dbraw/zinc/04/87/60/573048760.db2.gz	FZABDUMKRPCVRF-UHFFFAOYSA-N	0	0	190.267	3.494	10	0		AGAERN
CC1=CCC[C@@H]2CC(=O)CC[C@@]12C	238257813	573049765	/nfs/dbraw/zinc/04/97/65/573049765.db2.gz	SBERBBDKRTZZIT-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
C=COCc1cccc(Cl)c1	85503787	573048823	/nfs/dbraw/zinc/04/88/23/573048823.db2.gz	XYOOAZRWBGZFNB-UHFFFAOYSA-N	0	0	168.623	3.000	10	0		AGAERN
CC/C=C\C(=O)O[C@@H](CC)CCC	308248280	573048895	/nfs/dbraw/zinc/04/88/95/573048895.db2.gz	ZDFMZBJFVWELIW-RNKPRXRFSA-N	0	0	184.279	3.075	10	0		AGAERN
C=COc1ccc(Cl)c(C)c1	85503393	573048931	/nfs/dbraw/zinc/04/89/31/573048931.db2.gz	VHJGGGMMTRNKNJ-UHFFFAOYSA-N	0	0	168.623	3.171	10	0		AGAERN
C=COCc1ccccc1Cl	85503345	573049046	/nfs/dbraw/zinc/04/90/46/573049046.db2.gz	KTHIKNAXOWDVSK-UHFFFAOYSA-N	0	0	168.623	3.000	10	0		AGAERN
CC1=CCC[C@H]2CC(=O)CC[C@@]12C	238258039	573049100	/nfs/dbraw/zinc/04/91/00/573049100.db2.gz	SBERBBDKRTZZIT-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@@H](O)c1cccc2ccsc12	88038114	573049126	/nfs/dbraw/zinc/04/91/26/573049126.db2.gz	LSICOFJWTVATDA-SNVBAGLBSA-N	0	0	192.283	3.345	10	0		AGAERN
C=COc1ccccc1C(F)(F)F	85503313	573049146	/nfs/dbraw/zinc/04/91/46/573049146.db2.gz	VYZZHDPJTSHDBP-UHFFFAOYSA-N	0	0	188.148	3.228	10	0		AGAERN
CC[C@H](O)c1cccc2ccsc12	88038113	573049198	/nfs/dbraw/zinc/04/91/98/573049198.db2.gz	LSICOFJWTVATDA-JTQLQIEISA-N	0	0	192.283	3.345	10	0		AGAERN
C=COc1cccc(C(C)C)c1	85503239	573049333	/nfs/dbraw/zinc/04/93/33/573049333.db2.gz	IMKYZBVIEKEZNM-UHFFFAOYSA-N	0	0	162.232	3.332	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1sc(C)cc1C	88047992	573049469	/nfs/dbraw/zinc/04/94/69/573049469.db2.gz	LWHQODDUDHPOLL-XCBNKYQSSA-N	0	0	198.331	3.444	10	0		AGAERN
C=COc1cc(Cl)ccc1C	85503805	573049472	/nfs/dbraw/zinc/04/94/72/573049472.db2.gz	WQJRMXRHEPTATE-UHFFFAOYSA-N	0	0	168.623	3.171	10	0		AGAERN
CC[C@H](C)[C@H](O)c1sc(C)cc1C	88047993	573049485	/nfs/dbraw/zinc/04/94/85/573049485.db2.gz	LWHQODDUDHPOLL-XVKPBYJWSA-N	0	0	198.331	3.444	10	0		AGAERN
Cc1cc(C)c([C@@H](O)CC(C)C)s1	88047909	573049747	/nfs/dbraw/zinc/04/97/47/573049747.db2.gz	VKSTWHZZBUUWAP-JTQLQIEISA-N	0	0	198.331	3.444	10	0		AGAERN
C=COc1c(C)cc(Cl)cc1C	85503332	573049498	/nfs/dbraw/zinc/04/94/98/573049498.db2.gz	UMPMEPVSAOAWGF-UHFFFAOYSA-N	0	0	182.650	3.479	10	0		AGAERN
Cc1cc(C)c(C(C)(C)CCO)s1	88048507	573049607	/nfs/dbraw/zinc/04/96/07/573049607.db2.gz	KTUMFDDDKVNABX-UHFFFAOYSA-N	0	0	198.331	3.025	10	0		AGAERN
C=COc1ccc(Cl)c(CC)c1	85503486	573049647	/nfs/dbraw/zinc/04/96/47/573049647.db2.gz	KRAGVSWYVKUMKK-UHFFFAOYSA-N	0	0	182.650	3.425	10	0		AGAERN
Cc1cc(C)c([C@@H](O)C(C)(C)C)s1	88048037	573049685	/nfs/dbraw/zinc/04/96/85/573049685.db2.gz	SJTRGXHQHMYACJ-SNVBAGLBSA-N	0	0	198.331	3.444	10	0		AGAERN
CC1=CC[C@@H](C/C(C)=C/CO)C1(C)C	224639685	573050367	/nfs/dbraw/zinc/05/03/67/573050367.db2.gz	UJWUPIIWUYVKKX-PMDBQALLSA-N	0	0	194.318	3.308	10	0		AGAERN
C=COc1ccc(C(F)(F)F)cc1	85503457	573050389	/nfs/dbraw/zinc/05/03/89/573050389.db2.gz	ZZAYVPYTPKHWOI-UHFFFAOYSA-N	0	0	188.148	3.228	10	0		AGAERN
Cc1cc(C)c([C@H](O)CC2CC2)s1	88047914	573050802	/nfs/dbraw/zinc/05/08/02/573050802.db2.gz	CSSAOZLTVQJYLH-SNVBAGLBSA-N	0	0	196.315	3.198	10	0		AGAERN
C=COc1cc(C)ccc1Cl	85503481	573050418	/nfs/dbraw/zinc/05/04/18/573050418.db2.gz	FMWXPWGCXJBOAR-UHFFFAOYSA-N	0	0	168.623	3.171	10	0		AGAERN
C=CO[C@@H]1CCCC[C@@H]1CC	85503353	573050803	/nfs/dbraw/zinc/05/08/03/573050803.db2.gz	AHZGYXDMGPGESL-VHSXEESVSA-N	0	0	154.253	3.115	10	0		AGAERN
C=CO[C@H]1CCCC[C@H]1CC	85503349	573050835	/nfs/dbraw/zinc/05/08/35/573050835.db2.gz	AHZGYXDMGPGESL-ZJUUUORDSA-N	0	0	154.253	3.115	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1sc(C)cc1C	88047995	573050428	/nfs/dbraw/zinc/05/04/28/573050428.db2.gz	LWHQODDUDHPOLL-OIBJUYFYSA-N	0	0	198.331	3.444	10	0		AGAERN
Cc1cc(C)c([C@H](O)C(C)C)s1	88047972	573050461	/nfs/dbraw/zinc/05/04/61/573050461.db2.gz	BYJOBEDVGMJFFW-SECBINFHSA-N	0	0	184.304	3.054	10	0		AGAERN
C=COc1ccc(Cl)cc1C(C)=O	85503624	573050465	/nfs/dbraw/zinc/05/04/65/573050465.db2.gz	IAVDDFODVSRJAT-UHFFFAOYSA-N	0	0	196.633	3.065	10	0		AGAERN
CC(C)C(C)(C)SCc1c[nH]cn1	308248954	573050496	/nfs/dbraw/zinc/05/04/96/573050496.db2.gz	GUERAHFCRHUCOZ-UHFFFAOYSA-N	0	0	198.335	3.078	10	0		AGAERN
Cc1cc(C)c([C@H](O)[C@@H]2C[C@@H]2C)s1	88048012	573050518	/nfs/dbraw/zinc/05/05/18/573050518.db2.gz	FSEQFFGRPKOFPA-WQGWLQIFSA-N	0	0	196.315	3.054	10	0		AGAERN
CCCC(=O)c1sc(C)cc1C	88047232	573050571	/nfs/dbraw/zinc/05/05/71/573050571.db2.gz	YDVPASJBJCUBJU-UHFFFAOYSA-N	0	0	182.288	3.348	10	0		AGAERN
CCC[C@H](O)c1sc(C)cc1C	88047980	573050634	/nfs/dbraw/zinc/05/06/34/573050634.db2.gz	PZUGMLKUBAEUDP-VIFPVBQESA-N	0	0	184.304	3.198	10	0		AGAERN
C=CO[C@H]1CCC[C@@H](CC)C1	85503741	573050827	/nfs/dbraw/zinc/05/08/27/573050827.db2.gz	AFKKOIBWDUGJIG-ZJUUUORDSA-N	0	0	154.253	3.115	10	0		AGAERN
CCC1(CC(=O)C2(C)CC2)CCC1	308249017	573050886	/nfs/dbraw/zinc/05/08/86/573050886.db2.gz	DJLIAYORFRGKEC-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
C=COc1ccc2c(c1)CCCC2	85503591	573050925	/nfs/dbraw/zinc/05/09/25/573050925.db2.gz	CLXFBMSZJCBUFF-UHFFFAOYSA-N	0	0	174.243	3.088	10	0		AGAERN
CC1=CC[C@@]2(C)CCC(=O)[C@@H]2CC1	238259859	573050940	/nfs/dbraw/zinc/05/09/40/573050940.db2.gz	FGKCLDNPKCXGJU-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
C=COc1c(C)cc(C)cc1C	85503583	573052062	/nfs/dbraw/zinc/05/20/62/573052062.db2.gz	RKLJQHHCKRERGN-UHFFFAOYSA-N	0	0	162.232	3.134	10	0		AGAERN
Cc1cc(C)c([C@@H](O)C2CCC2)s1	88048039	573052150	/nfs/dbraw/zinc/05/21/50/573052150.db2.gz	HBYIWCUJXRDKPU-JTQLQIEISA-N	0	0	196.315	3.198	10	0		AGAERN
CC[C@@H](C)C1CCC([C@H](C)O)CC1	238262029	573052385	/nfs/dbraw/zinc/05/23/85/573052385.db2.gz	QCSQWBVWOOPNCU-QKEWWQLBSA-N	0	0	184.323	3.220	10	0		AGAERN
C=CO[C@@H]1CCC[C@@H](CC)C1	85503746	573052404	/nfs/dbraw/zinc/05/24/04/573052404.db2.gz	AFKKOIBWDUGJIG-NXEZZACHSA-N	0	0	154.253	3.115	10	0		AGAERN
C=COc1c(C)ccc(C)c1C	85503465	573052562	/nfs/dbraw/zinc/05/25/62/573052562.db2.gz	GEWZASCBSUBKOH-UHFFFAOYSA-N	0	0	162.232	3.134	10	0		AGAERN
C=CO[C@H]1CCCC[C@@H]1CC	85503350	573052604	/nfs/dbraw/zinc/05/26/04/573052604.db2.gz	AHZGYXDMGPGESL-UWVGGRQHSA-N	0	0	154.253	3.115	10	0		AGAERN
FC(F)CNc1cccc(C2CC2)c1	690125537	573053269	/nfs/dbraw/zinc/05/32/69/573053269.db2.gz	CWGMDQMOXIALES-UHFFFAOYSA-N	0	0	197.228	3.241	10	0		AGAERN
C[C@H](CCC(C)(C)C)Nc1cn[nH]c1	308487321	573053434	/nfs/dbraw/zinc/05/34/34/573053434.db2.gz	PGPULTAZPQZFJU-SECBINFHSA-N	0	0	195.310	3.036	10	0		AGAERN
CC1=CC[C@@]2(C)CCC(=O)C[C@@H]2C1	238259842	573053460	/nfs/dbraw/zinc/05/34/60/573053460.db2.gz	WQQXXEBAWLQFJT-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
CCc1cnc(NC(CC)CC)s1	308248617	573053556	/nfs/dbraw/zinc/05/35/56/573053556.db2.gz	ZSRJNKDNTPSLMD-UHFFFAOYSA-N	0	0	198.335	3.306	10	0		AGAERN
CC[C@@H](C)CNc1cccc(Cl)n1	82461584	573053876	/nfs/dbraw/zinc/05/38/76/573053876.db2.gz	QJDNSDOSEWZJJM-MRVPVSSYSA-N	0	0	198.697	3.193	10	0		AGAERN
CC(C)[C@@H](C)Nc1cccc(Cl)n1	82460724	573053931	/nfs/dbraw/zinc/05/39/31/573053931.db2.gz	NXXIDKJZQZMJEX-MRVPVSSYSA-N	0	0	198.697	3.191	10	0		AGAERN
CC[C@@H](C)C1CCC([C@@H](C)O)CC1	238262020	573054396	/nfs/dbraw/zinc/05/43/96/573054396.db2.gz	QCSQWBVWOOPNCU-QYNFOATHSA-N	0	0	184.323	3.220	10	0		AGAERN
CC1=CC[C@H](C2(C)CC(=O)C2)CC1	238260115	573054812	/nfs/dbraw/zinc/05/48/12/573054812.db2.gz	USVHZNSZEKCQBF-JTQLQIEISA-N	0	0	178.275	3.102	10	0		AGAERN
CCC[C@@H](C)[C@@H]1C(=O)CC[C@@H]1C	238260252	573055240	/nfs/dbraw/zinc/05/52/40/573055240.db2.gz	UIQRTEDQWZHPNC-YWVKMMECSA-N	0	0	168.280	3.038	10	0		AGAERN
COc1ccc2[nH]c(Cl)c(C)c2c1	257937960	573055525	/nfs/dbraw/zinc/05/55/25/573055525.db2.gz	LFVGFMAJGMBBRZ-UHFFFAOYSA-N	0	0	195.649	3.138	10	0		AGAERN
CC[C@H](C)CNc1cccc(Cl)n1	82461586	573055603	/nfs/dbraw/zinc/05/56/03/573055603.db2.gz	QJDNSDOSEWZJJM-QMMMGPOBSA-N	0	0	198.697	3.193	10	0		AGAERN
CC(C)[C@H](C)Nc1cccc(Cl)n1	82460725	573055696	/nfs/dbraw/zinc/05/56/96/573055696.db2.gz	NXXIDKJZQZMJEX-QMMMGPOBSA-N	0	0	198.697	3.191	10	0		AGAERN
C[C@@H](CCC(C)(C)C)Nc1cn[nH]c1	308487322	573055705	/nfs/dbraw/zinc/05/57/05/573055705.db2.gz	PGPULTAZPQZFJU-VIFPVBQESA-N	0	0	195.310	3.036	10	0		AGAERN
CCC[C@H](C)[C@@H]1C(=O)CC[C@@H]1C	238260010	573055908	/nfs/dbraw/zinc/05/59/08/573055908.db2.gz	UIQRTEDQWZHPNC-QXEWZRGKSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)CCCC(O)(C1CC1)C1CC1	308487334	573056154	/nfs/dbraw/zinc/05/61/54/573056154.db2.gz	PHSCEKWGZLQWTD-UHFFFAOYSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1=CC[C@@]2(C)CCC(=O)C[C@H]2C1	238259849	573056417	/nfs/dbraw/zinc/05/64/17/573056417.db2.gz	WQQXXEBAWLQFJT-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@@H]1Cc2ccccc2N[C@@H]1CC	238274549	573057010	/nfs/dbraw/zinc/05/70/10/573057010.db2.gz	ZGSTZXJBXBRXEC-ZYHUDNBSSA-N	0	0	189.302	3.459	10	0		AGAERN
CC(C)Sc1cccc(Cl)n1	82461774	573056746	/nfs/dbraw/zinc/05/67/46/573056746.db2.gz	HQUQTERWIXPUFP-UHFFFAOYSA-N	0	0	187.695	3.236	10	0		AGAERN
CC[C@]1(C)C(=O)[C@H](C)CC[C@@H]1C	238274297	573056970	/nfs/dbraw/zinc/05/69/70/573056970.db2.gz	SXKNOPSXMGMWQG-YWVKMMECSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCSc1cccc(Cl)n1	82461735	573056972	/nfs/dbraw/zinc/05/69/72/573056972.db2.gz	NMVIJKRKDPHZSN-UHFFFAOYSA-N	0	0	187.695	3.237	10	0		AGAERN
CCC[C@@H]1C[C@@H]1c1sccc1N	238274878	573057221	/nfs/dbraw/zinc/05/72/21/573057221.db2.gz	NKKZNNUITIHXBX-SFYZADRCSA-N	0	0	181.304	3.234	10	0		AGAERN
CC[C@@H]1Cc2ccccc2N[C@H]1C	238274563	573057269	/nfs/dbraw/zinc/05/72/69/573057269.db2.gz	QWIVLOJDUYHTFD-VHSXEESVSA-N	0	0	175.275	3.069	10	0		AGAERN
COCc1cc2cc(C)ccc2s1	257938438	573057271	/nfs/dbraw/zinc/05/72/71/573057271.db2.gz	UZRXWZJYWSQSEC-UHFFFAOYSA-N	0	0	192.283	3.356	10	0		AGAERN
CCCC[C@@H]1CC[C@@H](C)CC1=O	143903339	573057618	/nfs/dbraw/zinc/05/76/18/573057618.db2.gz	AFMUUVMHFVFWJC-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCc1ccc(Cl)c2cnoc12	238274784	573057632	/nfs/dbraw/zinc/05/76/32/573057632.db2.gz	HJJWWTNSXJTRAI-UHFFFAOYSA-N	0	0	181.622	3.044	10	0		AGAERN
CCC(C)(C)Nc1cccc(Cl)n1	82460755	573057674	/nfs/dbraw/zinc/05/76/74/573057674.db2.gz	IDFSEIXOOWXPLR-UHFFFAOYSA-N	0	0	198.697	3.336	10	0		AGAERN
CCc1ccc(Cl)c2oncc12	238274841	573057753	/nfs/dbraw/zinc/05/77/53/573057753.db2.gz	ZMIOQXIAMVVFDX-UHFFFAOYSA-N	0	0	181.622	3.044	10	0		AGAERN
CCOc1cc2cc(C)[nH]c2cc1C	238274010	573058473	/nfs/dbraw/zinc/05/84/73/573058473.db2.gz	MCMVEPNNLJKGME-UHFFFAOYSA-N	0	0	189.258	3.183	10	0		AGAERN
CC(C)[C@@H]1CCC(C)(C)O[C@@H]1C	114151824	573058562	/nfs/dbraw/zinc/05/85/62/573058562.db2.gz	AXESHEHCBYVQPL-ZJUUUORDSA-N	0	0	170.296	3.236	10	0		AGAERN
CCC[C@]1(C)Cc2ccccc2N1	238263603	573058654	/nfs/dbraw/zinc/05/86/54/573058654.db2.gz	LFZWKEXGDYVJOT-GFCCVEGCSA-N	0	0	175.275	3.213	10	0		AGAERN
CCCc1csc(CC2CCC2)n1	308240870	573058732	/nfs/dbraw/zinc/05/87/32/573058732.db2.gz	YHNXXYDPECLRTO-UHFFFAOYSA-N	0	0	195.331	3.438	10	0		AGAERN
Cc1cccc(CC(C)C)c1	114183931	573058880	/nfs/dbraw/zinc/05/88/80/573058880.db2.gz	SDHYGAUOCHFYSR-UHFFFAOYSA-N	0	0	148.249	3.194	10	0		AGAERN
CCC[C@@H]1C[C@@H]1c1ccsc1N	238274857	573059363	/nfs/dbraw/zinc/05/93/63/573059363.db2.gz	KHZLNLRNQHHHCU-APPZFPTMSA-N	0	0	181.304	3.234	10	0		AGAERN
CC[C@@H]1Nc2ccccc2C[C@H]1CC	238274591	573059647	/nfs/dbraw/zinc/05/96/47/573059647.db2.gz	ZGSTZXJBXBRXEC-PWSUYJOCSA-N	0	0	189.302	3.459	10	0		AGAERN
c1csc(CNc2ccsc2)c1	85527477	573060150	/nfs/dbraw/zinc/06/01/50/573060150.db2.gz	IDQZDEZUXSJTNS-UHFFFAOYSA-N	0	0	195.312	3.422	10	0		AGAERN
Cc1noc(C)c1NCCCC(C)C	308487745	573060225	/nfs/dbraw/zinc/06/02/25/573060225.db2.gz	ANEWKXIHHNNWLQ-UHFFFAOYSA-N	0	0	196.294	3.140	10	0		AGAERN
CC[C@@H]1Cc2ccccc2N[C@@H]1C	238274511	573060554	/nfs/dbraw/zinc/06/05/54/573060554.db2.gz	QWIVLOJDUYHTFD-NXEZZACHSA-N	0	0	175.275	3.069	10	0		AGAERN
CCC[C@H]1CC(=O)CC[C@H](C)C1	238274098	573060815	/nfs/dbraw/zinc/06/08/15/573060815.db2.gz	QDZMLJXISWQVIZ-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCC[C@H]1CC[C@@H](C)CC1=O	143903561	573061206	/nfs/dbraw/zinc/06/12/06/573061206.db2.gz	AFMUUVMHFVFWJC-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
CC1CCC([C@H](O)C2=CCCC2)CC1	123540601	573061211	/nfs/dbraw/zinc/06/12/11/573061211.db2.gz	WHMWIDPIBBFRLX-KGPNIALWSA-N	0	0	194.318	3.284	10	0		AGAERN
CCCC/C=C/[C@@H]1CCCC[C@H]1O	308241848	573061247	/nfs/dbraw/zinc/06/12/47/573061247.db2.gz	YYFXBSAXZGLKJL-ZOUVEMKTSA-N	0	0	182.307	3.284	10	0		AGAERN
CCCCCC[C@@H]1C[C@@H]1/C=C\CO	308242288	573061885	/nfs/dbraw/zinc/06/18/85/573061885.db2.gz	ZIJPIGVBPZCXII-YYYFKNSJSA-N	0	0	182.307	3.141	10	0		AGAERN
CCCCC[C@@H]1CC[C@@H]1CCCO	308241863	573061943	/nfs/dbraw/zinc/06/19/43/573061943.db2.gz	YZKARTDCYNMJQZ-NEPJUHHUSA-N	0	0	184.323	3.365	10	0		AGAERN
CCCCC[C@H]1CC[C@@H]1CCCO	308241865	573062670	/nfs/dbraw/zinc/06/26/70/573062670.db2.gz	YZKARTDCYNMJQZ-RYUDHWBXSA-N	0	0	184.323	3.365	10	0		AGAERN
CC[C@@H]1CC[C@@H](C)C[C@@H]1C(C)=O	238264011	573062521	/nfs/dbraw/zinc/06/25/21/573062521.db2.gz	YDCMHWWPAXVMMO-FBIMIBRVSA-N	0	0	168.280	3.038	10	0		AGAERN
CCc1cc(CC)c(O)c(CC)c1	114143530	573062522	/nfs/dbraw/zinc/06/25/22/573062522.db2.gz	KOHSRHXKURUXCP-UHFFFAOYSA-N	0	0	178.275	3.079	10	0		AGAERN
CC(C)CCC[C@H](C)C[C@H](C)CO	308242257	573062614	/nfs/dbraw/zinc/06/26/14/573062614.db2.gz	ZFRARIHJDKDCGB-RYUDHWBXSA-N	0	0	186.339	3.467	10	0		AGAERN
CC[C@@H]1CC[C@H](C)C[C@@H]1C(C)=O	238265339	573062715	/nfs/dbraw/zinc/06/27/15/573062715.db2.gz	YDCMHWWPAXVMMO-JMJZKYOTSA-N	0	0	168.280	3.038	10	0		AGAERN
c1cc(NCC2CCCC2)cs1	85527662	573062854	/nfs/dbraw/zinc/06/28/54/573062854.db2.gz	OYNUGKKAVSIVBG-UHFFFAOYSA-N	0	0	181.304	3.350	10	0		AGAERN
CCCCc1cccc(Cl)c1O	114122622	573063564	/nfs/dbraw/zinc/06/35/64/573063564.db2.gz	WSVWRETTYOULBB-UHFFFAOYSA-N	0	0	184.666	3.388	10	0		AGAERN
CCCCC[C@@H]1CC[C@H]1CCCO	308241866	573063769	/nfs/dbraw/zinc/06/37/69/573063769.db2.gz	YZKARTDCYNMJQZ-VXGBXAGGSA-N	0	0	184.323	3.365	10	0		AGAERN
CCCCCC[C@@H]1C[C@@H]1/C=C/CO	308242285	573063802	/nfs/dbraw/zinc/06/38/02/573063802.db2.gz	ZIJPIGVBPZCXII-OWVOXGNYSA-N	0	0	182.307	3.141	10	0		AGAERN
c1cc(CNc2ccsc2)cs1	85527529	573063826	/nfs/dbraw/zinc/06/38/26/573063826.db2.gz	MNLGREKMKUAUNL-UHFFFAOYSA-N	0	0	195.312	3.422	10	0		AGAERN
C=Cc1ccc(Cl)cc1C	114165165	573063944	/nfs/dbraw/zinc/06/39/44/573063944.db2.gz	BPVVTRJJQZINNG-UHFFFAOYSA-N	0	0	152.624	3.291	10	0		AGAERN
CCCC/C=C\[C@@H]1CCCC[C@H]1O	308241847	573063945	/nfs/dbraw/zinc/06/39/45/573063945.db2.gz	YYFXBSAXZGLKJL-OBBGCOQJSA-N	0	0	182.307	3.284	10	0		AGAERN
CCCCc1cccc2c1C(=O)CC2	238265543	573063985	/nfs/dbraw/zinc/06/39/85/573063985.db2.gz	BKQATDNGJIIVSZ-UHFFFAOYSA-N	0	0	188.270	3.158	10	0		AGAERN
CCCCCC[C@@H]1C[C@H]1/C=C\CO	308242287	573064127	/nfs/dbraw/zinc/06/41/27/573064127.db2.gz	ZIJPIGVBPZCXII-WAIVJAFWSA-N	0	0	182.307	3.141	10	0		AGAERN
CC[C@@H]1CCc2ccccc2NC1	238264451	573064166	/nfs/dbraw/zinc/06/41/66/573064166.db2.gz	QTDMJKCWNDZZPU-SNVBAGLBSA-N	0	0	175.275	3.071	10	0		AGAERN
CC(C)CCC[C@H](C)C[C@@H](C)CO	308242256	573064177	/nfs/dbraw/zinc/06/41/77/573064177.db2.gz	ZFRARIHJDKDCGB-NWDGAFQWSA-N	0	0	186.339	3.467	10	0		AGAERN
CC[C@@H](O)/C(Cl)=C/c1ccccc1	238265290	573064426	/nfs/dbraw/zinc/06/44/26/573064426.db2.gz	ZODSDWRPAVVWJY-HIJJYWJESA-N	0	0	196.677	3.037	10	0		AGAERN
CC(C)CCC[C@@H](C)C[C@@H](C)CO	308242258	573064450	/nfs/dbraw/zinc/06/44/50/573064450.db2.gz	ZFRARIHJDKDCGB-VXGBXAGGSA-N	0	0	186.339	3.467	10	0		AGAERN
CC[C@@H]1CC[C@@H](C)[C@@H](CC)C1=O	238264145	573064700	/nfs/dbraw/zinc/06/47/00/573064700.db2.gz	MDCVPHRDHLIWGW-OPRDCNLKSA-N	0	0	168.280	3.038	10	0		AGAERN
C=C=C(C1CCCCC1)[C@H](O)CC	238265480	573065276	/nfs/dbraw/zinc/06/52/76/573065276.db2.gz	MYHPNIFPVMPUQF-GFCCVEGCSA-N	0	0	180.291	3.049	10	0		AGAERN
CCC[C@@H]1CC(=O)CCC[C@@H]1C	238265081	573064769	/nfs/dbraw/zinc/06/47/69/573064769.db2.gz	FUDKWGYZNWVJML-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCCCC[C@@H]1C[C@H]1/C=C/CO	308242286	573065125	/nfs/dbraw/zinc/06/51/25/573065125.db2.gz	ZIJPIGVBPZCXII-RQDOONKYSA-N	0	0	182.307	3.141	10	0		AGAERN
CC[C@@H]1CC[C@@H](C(C)C)C(=O)C1	238263883	573065135	/nfs/dbraw/zinc/06/51/35/573065135.db2.gz	QLXPAXWBHWMXIP-ZJUUUORDSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1cccc2[nH]cc(Cl)c12	88077681	573065158	/nfs/dbraw/zinc/06/51/58/573065158.db2.gz	NGKGZGKACKBHJX-UHFFFAOYSA-N	0	0	165.623	3.130	10	0		AGAERN
Clc1ccc2c(Cl)c[nH]c2c1	88077678	573065195	/nfs/dbraw/zinc/06/51/95/573065195.db2.gz	KOOMMUBVWDISLO-UHFFFAOYSA-N	0	0	186.041	3.475	10	0		AGAERN
CCC(=O)CCc1ccccc1CC	308488693	573065248	/nfs/dbraw/zinc/06/52/48/573065248.db2.gz	PLLVMMMBCIHWSX-UHFFFAOYSA-N	0	0	190.286	3.161	10	0		AGAERN
Cc1cc(Cl)cc(C(C)C)c1N	88077733	573065609	/nfs/dbraw/zinc/06/56/09/573065609.db2.gz	OIVINVJCMYIEDC-UHFFFAOYSA-N	0	0	183.682	3.354	10	0		AGAERN
c1csc(SC2CC2)c1	114297060	573065668	/nfs/dbraw/zinc/06/56/68/573065668.db2.gz	XRXJTEQCIVFHKS-UHFFFAOYSA-N	0	0	156.275	3.003	10	0		AGAERN
CCC[C@H](C(C)=O)[Si](C)(C)C	222725243	573065669	/nfs/dbraw/zinc/06/56/69/573065669.db2.gz	VUSNCACBVKHGFK-SECBINFHSA-N	0	0	172.344	3.084	10	0		AGAERN
C[C@@H]1CCC[C@H]1Nc1ccsc1	85528056	573065672	/nfs/dbraw/zinc/06/56/72/573065672.db2.gz	MLZNPDDZKKIJNY-PSASIEDQSA-N	0	0	181.304	3.349	10	0		AGAERN
CC(C)(C)CNc1ccsc1	85528544	573065744	/nfs/dbraw/zinc/06/57/44/573065744.db2.gz	HBGNFJWHQKTVJZ-UHFFFAOYSA-N	0	0	169.293	3.206	10	0		AGAERN
CC[C@@H](C)N[C@@](C)(CC)C(F)(F)F	308246938	573066256	/nfs/dbraw/zinc/06/62/56/573066256.db2.gz	WTYGSSZQTCODDR-SFYZADRCSA-N	0	0	197.244	3.106	10	0		AGAERN
C[C@@H](Nc1ccsc1)C1(C)CC1	85528031	573065812	/nfs/dbraw/zinc/06/58/12/573065812.db2.gz	YQRFFPUUPXSTED-MRVPVSSYSA-N	0	0	181.304	3.349	10	0		AGAERN
CCCNc1ccc2sccc2n1	85535494	573065871	/nfs/dbraw/zinc/06/58/71/573065871.db2.gz	WEUUVFZAVUAGCM-UHFFFAOYSA-N	0	0	192.287	3.118	10	0		AGAERN
CC[C@@H]1CC[C@H](C(C)C)C(=O)C1	238265201	573065907	/nfs/dbraw/zinc/06/59/07/573065907.db2.gz	QLXPAXWBHWMXIP-NXEZZACHSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)CC1=CC[C@H]([C@@H](C)O)[C@@H](C)C1	114244767	573065933	/nfs/dbraw/zinc/06/59/33/573065933.db2.gz	XAJHGTNSGYJAIG-LOWVWBTDSA-N	0	0	196.334	3.386	10	0		AGAERN
CCCC(=O)c1cccc2ncccc12	88100942	573066367	/nfs/dbraw/zinc/06/63/67/573066367.db2.gz	NDBZGJCSKUKMFZ-UHFFFAOYSA-N	0	0	199.253	3.218	10	0		AGAERN
CCC[C@@H](C(C)=O)[Si](C)(C)C	222725193	573066316	/nfs/dbraw/zinc/06/63/16/573066316.db2.gz	VUSNCACBVKHGFK-VIFPVBQESA-N	0	0	172.344	3.084	10	0		AGAERN
C/C=C1\CC[C@@H]2[C@H](O)[C@H](C)CC[C@@]12C	308495068	573066436	/nfs/dbraw/zinc/06/64/36/573066436.db2.gz	UWTOZTOTNWYHLP-XTQQISJBSA-N	0	0	194.318	3.140	10	0		AGAERN
CC(C)C(=O)c1ccc2cccnc2c1	88100929	573066446	/nfs/dbraw/zinc/06/64/46/573066446.db2.gz	HBZJJKQDVGLOBB-UHFFFAOYSA-N	0	0	199.253	3.074	10	0		AGAERN
C=Cc1cncc2ccc(C)cc12	209758308	573066515	/nfs/dbraw/zinc/06/65/15/573066515.db2.gz	QOFDUWYSFWXFJJ-UHFFFAOYSA-N	0	0	169.227	3.186	10	0		AGAERN
FC(F)(F)CCNc1ccsc1	85534876	573067103	/nfs/dbraw/zinc/06/71/03/573067103.db2.gz	HMIPWBOFMATAKB-UHFFFAOYSA-N	0	0	195.209	3.112	10	0		AGAERN
CC[C@@H](F)CSCc1cccnc1	308246104	573067104	/nfs/dbraw/zinc/06/71/04/573067104.db2.gz	VWZHOFATSUSMCL-SNVBAGLBSA-N	0	0	199.294	3.063	10	0		AGAERN
C=Cc1ccnc2ccc(C)cc12	209758452	573066635	/nfs/dbraw/zinc/06/66/35/573066635.db2.gz	JVZOUBZCMMVJCT-UHFFFAOYSA-N	0	0	169.227	3.186	10	0		AGAERN
CC(C)[C@@H](C)Nc1ccsc1	85528010	573066675	/nfs/dbraw/zinc/06/66/75/573066675.db2.gz	MPINKEGHGWYVOS-MRVPVSSYSA-N	0	0	169.293	3.205	10	0		AGAERN
C[C@H]1CC[C@H](Nc2ccsc2)C1	85528954	573066775	/nfs/dbraw/zinc/06/67/75/573066775.db2.gz	BXUMLZIXJUIIQB-IUCAKERBSA-N	0	0	181.304	3.349	10	0		AGAERN
Cc1cc2sccc2nc1Cl	85535426	573066793	/nfs/dbraw/zinc/06/67/93/573066793.db2.gz	NFWQHCKAYHGDMW-UHFFFAOYSA-N	0	0	183.663	3.258	10	0		AGAERN
CCCC(=O)c1ccc2cccnc2c1	88100940	573066827	/nfs/dbraw/zinc/06/68/27/573066827.db2.gz	NIDPJNSIIGBGRF-UHFFFAOYSA-N	0	0	199.253	3.218	10	0		AGAERN
CC(C)c1cc2sccc2nc1N	85535442	573066898	/nfs/dbraw/zinc/06/68/98/573066898.db2.gz	ZZJRHLHUJRWECX-UHFFFAOYSA-N	0	0	192.287	3.002	10	0		AGAERN
CCC[C@]1(C)Nc2ccccc2CO1	238263710	573066956	/nfs/dbraw/zinc/06/69/56/573066956.db2.gz	XZCMJCJYIDVVHJ-GFCCVEGCSA-N	0	0	191.274	3.145	10	0		AGAERN
c1cc(N[C@H]2CCCSC2)cs1	85528155	573066958	/nfs/dbraw/zinc/06/69/58/573066958.db2.gz	JMRFDXNJPIMPRX-QMMMGPOBSA-N	0	0	199.344	3.056	10	0		AGAERN
CCC[C@@H]1CC(=O)CCC[C@H]1C	238265088	573067005	/nfs/dbraw/zinc/06/70/05/573067005.db2.gz	FUDKWGYZNWVJML-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
c1cc(NC2CCSCC2)cs1	85527920	573067035	/nfs/dbraw/zinc/06/70/35/573067035.db2.gz	PWIPDDRNWYYWKD-UHFFFAOYSA-N	0	0	199.344	3.056	10	0		AGAERN
C/C=C1\CC[C@@H]2[C@H](O)[C@H](C)CC[C@]12C	308495064	573067046	/nfs/dbraw/zinc/06/70/46/573067046.db2.gz	UWTOZTOTNWYHLP-BYDVYWMISA-N	0	0	194.318	3.140	10	0		AGAERN
CCC[C@H](O)[C@@H]1CC=C(C)C[C@@H]1C	238263882	573067182	/nfs/dbraw/zinc/06/71/82/573067182.db2.gz	DKUUTQKWXQKSBY-TUAOUCFPSA-N	0	0	182.307	3.140	10	0		AGAERN
C[C@H](Nc1ccsc1)C1(C)CC1	85528029	573067246	/nfs/dbraw/zinc/06/72/46/573067246.db2.gz	YQRFFPUUPXSTED-QMMMGPOBSA-N	0	0	181.304	3.349	10	0		AGAERN
CC(C)C(C(=O)c1ccoc1)C(C)C	308495009	573067318	/nfs/dbraw/zinc/06/73/18/573067318.db2.gz	SMRQKJTUQWKKGA-UHFFFAOYSA-N	0	0	194.274	3.391	10	0		AGAERN
Nc1ccccc1Nc1ccsc1	85528371	573067388	/nfs/dbraw/zinc/06/73/88/573067388.db2.gz	IXRLEIIITBALKY-UHFFFAOYSA-N	0	0	190.271	3.074	10	0		AGAERN
CCC(CC)Nc1ccsc1	85528693	573067410	/nfs/dbraw/zinc/06/74/10/573067410.db2.gz	KFKWGAKOKWOCLK-UHFFFAOYSA-N	0	0	169.293	3.349	10	0		AGAERN
Fc1cccc(Nc2ccsc2)n1	85535880	573067418	/nfs/dbraw/zinc/06/74/18/573067418.db2.gz	SULCWLBHJSNEKV-UHFFFAOYSA-N	0	0	194.234	3.026	10	0		AGAERN
CC[C@H](C)N[C@](C)(CC)C(F)(F)F	308246937	573067451	/nfs/dbraw/zinc/06/74/51/573067451.db2.gz	WTYGSSZQTCODDR-JGVFFNPUSA-N	0	0	197.244	3.106	10	0		AGAERN
CC(C)CCNc1ccsc1	85527948	573067663	/nfs/dbraw/zinc/06/76/63/573067663.db2.gz	ZKHNKDMUIUMCDV-UHFFFAOYSA-N	0	0	169.293	3.206	10	0		AGAERN
CCC/C=C/CCSc1ncc[nH]1	308246965	573067899	/nfs/dbraw/zinc/06/78/99/573067899.db2.gz	WVMFVBXAGKRHLF-SNAWJCMRSA-N	0	0	196.319	3.248	10	0		AGAERN
Cc1ccc(CNc2ccsc2)o1	85528374	573067848	/nfs/dbraw/zinc/06/78/48/573067848.db2.gz	ZIWLDSMNKCZNPD-UHFFFAOYSA-N	0	0	193.271	3.262	10	0		AGAERN
CC[C@H](F)CSCc1cccnc1	308246103	573068205	/nfs/dbraw/zinc/06/82/05/573068205.db2.gz	VWZHOFATSUSMCL-JTQLQIEISA-N	0	0	199.294	3.063	10	0		AGAERN
CCC[C@H](C)Nc1ccsc1	85528454	573068419	/nfs/dbraw/zinc/06/84/19/573068419.db2.gz	BNMAXJHBQULXQJ-QMMMGPOBSA-N	0	0	169.293	3.349	10	0		AGAERN
CC(C)C(=O)c1cccc2ncccc12	88100931	573068429	/nfs/dbraw/zinc/06/84/29/573068429.db2.gz	CLFHTQOURQBSRX-UHFFFAOYSA-N	0	0	199.253	3.074	10	0		AGAERN
CC[C@@H](C)[C@@H](C)c1ccc(N)cc1	238265797	573068593	/nfs/dbraw/zinc/06/85/93/573068593.db2.gz	XYOSNVLTAMEVAC-NXEZZACHSA-N	0	0	177.291	3.418	10	0		AGAERN
CC[C@H](C)N[C@@](C)(CC)C(F)(F)F	308246939	573068650	/nfs/dbraw/zinc/06/86/50/573068650.db2.gz	WTYGSSZQTCODDR-YUMQZZPRSA-N	0	0	197.244	3.106	10	0		AGAERN
C[C@H]1CC[C@@H](Nc2ccsc2)C1	85528957	573068673	/nfs/dbraw/zinc/06/86/73/573068673.db2.gz	BXUMLZIXJUIIQB-DTWKUNHWSA-N	0	0	181.304	3.349	10	0		AGAERN
CCC(=O)c1ccc2nc(C)ccc2c1	88100933	573068720	/nfs/dbraw/zinc/06/87/20/573068720.db2.gz	UERGPPRCDZASLN-UHFFFAOYSA-N	0	0	199.253	3.136	10	0		AGAERN
C[C@@H](O)CCCCCC(C)(C)C	78272019	573068911	/nfs/dbraw/zinc/06/89/11/573068911.db2.gz	LWXDXMATRHUURT-SNVBAGLBSA-N	0	0	172.312	3.364	10	0		AGAERN
CC[C@H](C)CNc1ccsc1	85528473	573069359	/nfs/dbraw/zinc/06/93/59/573069359.db2.gz	HUNQANKNYGZOMS-QMMMGPOBSA-N	0	0	169.293	3.206	10	0		AGAERN
CCC[C@@H](C)Nc1ccsc1	85528452	573069505	/nfs/dbraw/zinc/06/95/05/573069505.db2.gz	BNMAXJHBQULXQJ-MRVPVSSYSA-N	0	0	169.293	3.349	10	0		AGAERN
C[C@H]1CCC[C@@H]1Nc1ccsc1	85528052	573069723	/nfs/dbraw/zinc/06/97/23/573069723.db2.gz	MLZNPDDZKKIJNY-WPRPVWTQSA-N	0	0	181.304	3.349	10	0		AGAERN
Cc1nc(C(F)F)cc2ccccc12	114288382	573069730	/nfs/dbraw/zinc/06/97/30/573069730.db2.gz	BDIJQEMFCZGEEB-UHFFFAOYSA-N	0	0	193.196	3.481	10	0		AGAERN
C[C@H]1CCC[C@H]1Nc1ccsc1	85528059	573069732	/nfs/dbraw/zinc/06/97/32/573069732.db2.gz	MLZNPDDZKKIJNY-WCBMZHEXSA-N	0	0	181.304	3.349	10	0		AGAERN
CC[C@@H](C)N[C@](C)(CC)C(F)(F)F	308246936	573069746	/nfs/dbraw/zinc/06/97/46/573069746.db2.gz	WTYGSSZQTCODDR-HTQZYQBOSA-N	0	0	197.244	3.106	10	0		AGAERN
CC[C@H](Nc1ccsc1)C1CC1	85528164	573069766	/nfs/dbraw/zinc/06/97/66/573069766.db2.gz	VUNSBSPHXJHJEG-JTQLQIEISA-N	0	0	181.304	3.349	10	0		AGAERN
CCCc1c(C)cc(C)c(O)c1C	238269100	573069888	/nfs/dbraw/zinc/06/98/88/573069888.db2.gz	QASCVTWUVCABIA-UHFFFAOYSA-N	0	0	178.275	3.270	10	0		AGAERN
c1cc(NC(C2CC2)C2CC2)cs1	85528929	573069891	/nfs/dbraw/zinc/06/98/91/573069891.db2.gz	YHRHNRPTFPEXSB-UHFFFAOYSA-N	0	0	193.315	3.349	10	0		AGAERN
Nc1cccc(Nc2ccsc2)c1	85528501	573069915	/nfs/dbraw/zinc/06/99/15/573069915.db2.gz	BLKVPBAMOVDPQS-UHFFFAOYSA-N	0	0	190.271	3.074	10	0		AGAERN
CC[C@@]1(C)CCCC(C)(C)C1=O	238268055	573070013	/nfs/dbraw/zinc/07/00/13/573070013.db2.gz	BOFQXMZLGHQFDF-NSHDSACASA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)c1ccc(C(C)C)c(CO)c1	114205869	573070059	/nfs/dbraw/zinc/07/00/59/573070059.db2.gz	NDYVNYCZTXEHTO-UHFFFAOYSA-N	0	0	192.302	3.426	10	0		AGAERN
C[C@@H]1CC[C@@H](Nc2ccsc2)C1	85528955	573070135	/nfs/dbraw/zinc/07/01/35/573070135.db2.gz	BXUMLZIXJUIIQB-RKDXNWHRSA-N	0	0	181.304	3.349	10	0		AGAERN
CCCC(=O)c1cccc2cccnc12	88100939	573070316	/nfs/dbraw/zinc/07/03/16/573070316.db2.gz	WBYOPRNZZNERSZ-UHFFFAOYSA-N	0	0	199.253	3.218	10	0		AGAERN
CC(C)[C@H](C)Nc1ccsc1	85528013	573070380	/nfs/dbraw/zinc/07/03/80/573070380.db2.gz	MPINKEGHGWYVOS-QMMMGPOBSA-N	0	0	169.293	3.205	10	0		AGAERN
CC[C@@H](O)C1=C(C)[C@H]2C[C@@H](C1)C2(C)C	238267794	573070436	/nfs/dbraw/zinc/07/04/36/573070436.db2.gz	LAMBCIRROPOARP-YUSALJHKSA-N	0	0	194.318	3.140	10	0		AGAERN
CCNc1nc2ccsc2cc1C	85535440	573070991	/nfs/dbraw/zinc/07/09/91/573070991.db2.gz	JTLBPFFMDLMHHO-UHFFFAOYSA-N	0	0	192.287	3.037	10	0		AGAERN
C[C@@H]1CCc2cc(C3CC3)ccc2N1	88107221	573071073	/nfs/dbraw/zinc/07/10/73/573071073.db2.gz	IMNARKAVQHMZOG-SECBINFHSA-N	0	0	187.286	3.311	10	0		AGAERN
c1cc(N[C@@H]2CCCSC2)cs1	85528153	573071260	/nfs/dbraw/zinc/07/12/60/573071260.db2.gz	JMRFDXNJPIMPRX-MRVPVSSYSA-N	0	0	199.344	3.056	10	0		AGAERN
C[C@H]1CCc2cc(C3CC3)ccc2N1	88107222	573071351	/nfs/dbraw/zinc/07/13/51/573071351.db2.gz	IMNARKAVQHMZOG-VIFPVBQESA-N	0	0	187.286	3.311	10	0		AGAERN
CC(C)C(C(C)C)[C@H](O)CC1CCC1	308489403	573071377	/nfs/dbraw/zinc/07/13/77/573071377.db2.gz	PYDMSPIIWMHUDD-GFCCVEGCSA-N	0	0	198.350	3.466	10	0		AGAERN
CC[C@@H](C)CNc1ccsc1	85528471	573071437	/nfs/dbraw/zinc/07/14/37/573071437.db2.gz	HUNQANKNYGZOMS-MRVPVSSYSA-N	0	0	169.293	3.206	10	0		AGAERN
CCCCCCSCc1ccon1	308253746	573071777	/nfs/dbraw/zinc/07/17/77/573071777.db2.gz	CSNJKGNZTCJSDR-UHFFFAOYSA-N	0	0	199.319	3.488	10	0		AGAERN
CCc1ccc([C@@H](O)CC2CC2)cc1	49731821	573071898	/nfs/dbraw/zinc/07/18/98/573071898.db2.gz	CFGFLFNMMXCEFP-ZDUSSCGKSA-N	0	0	190.286	3.083	10	0		AGAERN
CC[C@@]1(C)CCCCCC(=O)C1	238268121	573071891	/nfs/dbraw/zinc/07/18/91/573071891.db2.gz	AQOHAMNUHTXECY-NSHDSACASA-N	0	0	168.280	3.326	10	0		AGAERN
CCc1ccc(C(=O)CC2CC2)s1	49729082	573072432	/nfs/dbraw/zinc/07/24/32/573072432.db2.gz	JGQGPIGZSNZNIJ-UHFFFAOYSA-N	0	0	194.299	3.293	10	0		AGAERN
CC[C@@]1(C)CCCC[C@@H]1C(C)=O	238268157	573072445	/nfs/dbraw/zinc/07/24/45/573072445.db2.gz	NAROADXTPVYMEW-MNOVXSKESA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)[C@]1(O)CCC(C)(C)C[C@@H]1C	88132296	573072622	/nfs/dbraw/zinc/07/26/22/573072622.db2.gz	JMOYAWSIBWKESZ-CMPLNLGQSA-N	0	0	184.323	3.220	10	0		AGAERN
Clc1sccc1C1CC1	114344215	573072724	/nfs/dbraw/zinc/07/27/24/573072724.db2.gz	PRKSFRPBWVDNLV-UHFFFAOYSA-N	0	0	158.653	3.279	10	0		AGAERN
CCC(CC)C[C@H]1CCC(=O)[C@H]1C	128601684	573072849	/nfs/dbraw/zinc/07/28/49/573072849.db2.gz	YCMWZAODPOEPJQ-GXSJLCMTSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)C(C(C)C)[C@@H](O)CC1CCC1	308489405	573073211	/nfs/dbraw/zinc/07/32/11/573073211.db2.gz	PYDMSPIIWMHUDD-LBPRGKRZSA-N	0	0	198.350	3.466	10	0		AGAERN
CC[C@@H](C)C/C=C(/C)CC(C)=O	224886052	573073626	/nfs/dbraw/zinc/07/36/26/573073626.db2.gz	XZAVLTIBOQOUBO-SBMLRHLQSA-N	0	0	168.280	3.348	10	0		AGAERN
CCCc1c(C)cc(C)c(N)c1C	238269073	573073803	/nfs/dbraw/zinc/07/38/03/573073803.db2.gz	VJZZJDFMBYCENR-UHFFFAOYSA-N	0	0	177.291	3.147	10	0		AGAERN
CCC[C@]1(O)CCC(C)(C)C[C@@H]1C	88132471	573075025	/nfs/dbraw/zinc/07/50/25/573075025.db2.gz	WYEHARZARLNWBA-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H](O)C1=C(C)C12CCCCC2	238267732	573074165	/nfs/dbraw/zinc/07/41/65/573074165.db2.gz	YASWSTBEWXMGPC-SNVBAGLBSA-N	0	0	180.291	3.038	10	0		AGAERN
CCC[C@]1(O)CCC(C)(C)C[C@H]1C	88132476	573074239	/nfs/dbraw/zinc/07/42/39/573074239.db2.gz	WYEHARZARLNWBA-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@@]1(O)CCC(C)(C)C[C@H]1C	88132478	573074271	/nfs/dbraw/zinc/07/42/71/573074271.db2.gz	WYEHARZARLNWBA-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@]1(C)CCCC[C@H]1C(C)=O	238268186	573074369	/nfs/dbraw/zinc/07/43/69/573074369.db2.gz	NAROADXTPVYMEW-QWRGUYRKSA-N	0	0	168.280	3.182	10	0		AGAERN
CCc1ccc(C(=O)CC2CC2)cc1	49729057	573074547	/nfs/dbraw/zinc/07/45/47/573074547.db2.gz	ZTLTZVDXHOYLNB-UHFFFAOYSA-N	0	0	188.270	3.232	10	0		AGAERN
Nc1cc(Cl)ccc1-c1ccoc1	88123398	573074736	/nfs/dbraw/zinc/07/47/36/573074736.db2.gz	JARNKDRSGKZWBS-UHFFFAOYSA-N	0	0	193.633	3.182	10	0		AGAERN
Nc1ccc(Cl)cc1-c1ccoc1	88123397	573074755	/nfs/dbraw/zinc/07/47/55/573074755.db2.gz	ZJVGUOIKMXDASJ-UHFFFAOYSA-N	0	0	193.633	3.182	10	0		AGAERN
CCc1cc(CC(C)C)ccc1N	88125636	573074824	/nfs/dbraw/zinc/07/48/24/573074824.db2.gz	PCVBGPCYVODURA-UHFFFAOYSA-N	0	0	177.291	3.030	10	0		AGAERN
CCC(CC)C[C@@H]1CCC(=O)C1	128591803	573074863	/nfs/dbraw/zinc/07/48/63/573074863.db2.gz	CJAMVORNHWDFEW-JTQLQIEISA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)Cc1cc(Cl)ccc1N	88123391	573075214	/nfs/dbraw/zinc/07/52/14/573075214.db2.gz	DMVOCFCLHPZRMT-UHFFFAOYSA-N	0	0	183.682	3.121	10	0		AGAERN
CCC(CC)C[C@H]1CCC(=O)[C@@H]1C	128601273	573075222	/nfs/dbraw/zinc/07/52/22/573075222.db2.gz	YCMWZAODPOEPJQ-MWLCHTKSSA-N	0	0	182.307	3.428	10	0		AGAERN
Cc1c(Cl)ccc(C(C)C)c1N	114353182	573075304	/nfs/dbraw/zinc/07/53/04/573075304.db2.gz	VJMLNTUETPAFBL-UHFFFAOYSA-N	0	0	183.682	3.354	10	0		AGAERN
CC(C)(C)CC[C@@](C)(O)c1ccco1	308488957	573075318	/nfs/dbraw/zinc/07/53/18/573075318.db2.gz	PTYLOTZANVXDEK-GFCCVEGCSA-N	0	0	196.290	3.313	10	0		AGAERN
CCC(CC)C[C@@H]1CCC(=O)[C@@H]1C	128601069	573075335	/nfs/dbraw/zinc/07/53/35/573075335.db2.gz	YCMWZAODPOEPJQ-KOLCDFICSA-N	0	0	182.307	3.428	10	0		AGAERN
CCCCC/C=C\C=C=CCCO	224818467	573076216	/nfs/dbraw/zinc/07/62/16/573076216.db2.gz	PXJWSJMBDYEDPV-SREVYHEPSA-N	0	0	180.291	3.217	10	0		AGAERN
CC[C@](C)(Cl)c1cccc(O)c1	114383198	573075477	/nfs/dbraw/zinc/07/54/77/573075477.db2.gz	QSQMLJPZGNROLH-JTQLQIEISA-N	0	0	184.666	3.256	10	0		AGAERN
CC(C)C[C@H](C)[C@H](O)[C@H]1CC[C@H](C)C1	308489464	573075478	/nfs/dbraw/zinc/07/54/78/573075478.db2.gz	PZMXHNLWNJHBIJ-CYDGBPFRSA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)C[C@H](C)[C@H](O)[C@@H]1CC[C@H](C)C1	308489465	573075485	/nfs/dbraw/zinc/07/54/85/573075485.db2.gz	PZMXHNLWNJHBIJ-RVMXOQNASA-N	0	0	198.350	3.466	10	0		AGAERN
CCc1cc(-c2ccoc2)ccc1N	88125638	573075493	/nfs/dbraw/zinc/07/54/93/573075493.db2.gz	IBBPLEOJSXYQRG-UHFFFAOYSA-N	0	0	187.242	3.091	10	0		AGAERN
Cc1ccc(Cl)c(C(C)C)c1N	114354768	573076436	/nfs/dbraw/zinc/07/64/36/573076436.db2.gz	BNFNLVZYBUWZCJ-UHFFFAOYSA-N	0	0	183.682	3.354	10	0		AGAERN
CC(C)C[C@H](C)[C@H](O)[C@@H]1CC[C@@H](C)C1	308489468	573075769	/nfs/dbraw/zinc/07/57/69/573075769.db2.gz	PZMXHNLWNJHBIJ-XQHKEYJVSA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)[C@]1(O)CCC(C)(C)C[C@H]1C	88132295	573075780	/nfs/dbraw/zinc/07/57/80/573075780.db2.gz	JMOYAWSIBWKESZ-ZYHUDNBSSA-N	0	0	184.323	3.220	10	0		AGAERN
CCc1ccc([C@@H](O)CC2CC2)s1	49731671	573075803	/nfs/dbraw/zinc/07/58/03/573075803.db2.gz	CPKMYBFFIWZZCC-JTQLQIEISA-N	0	0	196.315	3.144	10	0		AGAERN
CC(C)[C@@]1(O)CCC(C)(C)C[C@@H]1C	88132294	573075982	/nfs/dbraw/zinc/07/59/82/573075982.db2.gz	JMOYAWSIBWKESZ-JQWIXIFHSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC[C@@H]1CC[C@@H](O)c2ccccc21	238270478	573076055	/nfs/dbraw/zinc/07/60/55/573076055.db2.gz	ZMFXSQNDCKMKRI-ZWNOBZJWSA-N	0	0	190.286	3.398	10	0		AGAERN
CCCCc1cc2cc(N)ccc2[nH]1	238270252	573076345	/nfs/dbraw/zinc/07/63/45/573076345.db2.gz	FIRPWHPFHSIISR-UHFFFAOYSA-N	0	0	188.274	3.093	10	0		AGAERN
CC[C@@H]1C(=O)c2ccccc2[C@H]1C	238269462	573076373	/nfs/dbraw/zinc/07/63/73/573076373.db2.gz	UJJJWBBSJVFXFO-IUCAKERBSA-N	0	0	174.243	3.013	10	0		AGAERN
CC[C@@]1(C)C[C@@H](C(C)C)CC1=O	238269546	573076319	/nfs/dbraw/zinc/07/63/19/573076319.db2.gz	YUFNHBIPMHSHBR-ONGXEEELSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC[C@@H]1CC[C@@H](C)CC(=O)C1	238269551	573076486	/nfs/dbraw/zinc/07/64/86/573076486.db2.gz	CNJMQQPLQCZWCI-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCc1cc(-c2ccco2)ccc1N	88125639	573076490	/nfs/dbraw/zinc/07/64/90/573076490.db2.gz	WVFPTXACWQWPJX-UHFFFAOYSA-N	0	0	187.242	3.091	10	0		AGAERN
CCc1ccc([C@H](O)CC2CC2)cc1	49731820	573076637	/nfs/dbraw/zinc/07/66/37/573076637.db2.gz	CFGFLFNMMXCEFP-CYBMUJFWSA-N	0	0	190.286	3.083	10	0		AGAERN
Fc1ccc(SC2CC2)cc1	114300170	573076957	/nfs/dbraw/zinc/07/69/57/573076957.db2.gz	QJZRWKOQRYLBPR-UHFFFAOYSA-N	0	0	168.236	3.080	10	0		AGAERN
c1cc(C2CCCCC2)c[nH]1	104617168	573077047	/nfs/dbraw/zinc/07/70/47/573077047.db2.gz	WWYSFYZJQDXMDS-UHFFFAOYSA-N	0	0	149.237	3.062	10	0		AGAERN
CCC(CC)CCCC(C)=O	128592236	573077757	/nfs/dbraw/zinc/07/77/57/573077757.db2.gz	ZADYYSJRKPWGTB-UHFFFAOYSA-N	0	0	156.269	3.182	10	0		AGAERN
CCC(CC)C[C@@H]1CCC(=O)[C@H]1C	128601488	573077384	/nfs/dbraw/zinc/07/73/84/573077384.db2.gz	YCMWZAODPOEPJQ-ONGXEEELSA-N	0	0	182.307	3.428	10	0		AGAERN
CCc1ccc([C@H](O)CC2CC2)s1	49731670	573077530	/nfs/dbraw/zinc/07/75/30/573077530.db2.gz	CPKMYBFFIWZZCC-SNVBAGLBSA-N	0	0	196.315	3.144	10	0		AGAERN
CC(=O)C/C(C)=C\CC(C)(C)C	224885952	573077663	/nfs/dbraw/zinc/07/76/63/573077663.db2.gz	CRAHITHYOKPLFI-TWGQIWQCSA-N	0	0	168.280	3.348	10	0		AGAERN
C[C@@H](CCC(C)(C)C)Nn1cccc1	308491161	573077815	/nfs/dbraw/zinc/07/78/15/573077815.db2.gz	QRXXFMAROKZRBC-NSHDSACASA-N	0	0	194.322	3.246	10	0		AGAERN
CC[C@@](C)(Cl)c1cccc(O)c1	114383196	573077845	/nfs/dbraw/zinc/07/78/45/573077845.db2.gz	QSQMLJPZGNROLH-SNVBAGLBSA-N	0	0	184.666	3.256	10	0		AGAERN
C/C(=C\C1CCC(C(C)C)CC1)CO	308490998	573077941	/nfs/dbraw/zinc/07/79/41/573077941.db2.gz	PYBQHNBAQJZVBE-DHZHZOJOSA-N	0	0	196.334	3.387	10	0		AGAERN
Cc1cccc(Oc2ncc(C)o2)c1	257940130	573078101	/nfs/dbraw/zinc/07/81/01/573078101.db2.gz	VIKIHJKIXVQQHO-UHFFFAOYSA-N	0	0	189.214	3.084	10	0		AGAERN
CC[C@H](O)[C@@H]1CCC(C)(C)C[C@@H]1C	88133762	573078209	/nfs/dbraw/zinc/07/82/09/573078209.db2.gz	GLHOZXHHXZVQKX-AXFHLTTASA-N	0	0	184.323	3.220	10	0		AGAERN
CCOc1cc(C)c2[nH]c(C)cc2c1	238269200	573078260	/nfs/dbraw/zinc/07/82/60/573078260.db2.gz	VFPVQSVZDSVDSS-UHFFFAOYSA-N	0	0	189.258	3.183	10	0		AGAERN
CCC(=O)[C@@H]1CCC(C)(C)C[C@@H]1C	88133617	573078334	/nfs/dbraw/zinc/07/83/34/573078334.db2.gz	NJJUJUIDQVALTN-VHSXEESVSA-N	0	0	182.307	3.428	10	0		AGAERN
CCCCOC(=O)C[C@H](C)C(C)C	308490969	573078408	/nfs/dbraw/zinc/07/84/08/573078408.db2.gz	RCLBBRKQQKIJCK-JTQLQIEISA-N	0	0	186.295	3.012	10	0		AGAERN
CCC[C@@H]1CC[C@H](C)CC(=O)C1	238270846	573078480	/nfs/dbraw/zinc/07/84/80/573078480.db2.gz	CNJMQQPLQCZWCI-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCCc1cc2ccc(N)cc2[nH]1	238270345	573078551	/nfs/dbraw/zinc/07/85/51/573078551.db2.gz	BZLPGTSSRLLACH-UHFFFAOYSA-N	0	0	188.274	3.093	10	0		AGAERN
CC(=O)[C@H]1CCC(C)(C)C[C@H]1C	88133607	573078767	/nfs/dbraw/zinc/07/87/67/573078767.db2.gz	LHTGZGGFHJPEEH-SCZZXKLOSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)C(C(C)C)[C@H](O)C1CCCC1	308491664	573078778	/nfs/dbraw/zinc/07/87/78/573078778.db2.gz	RBKMYXRLTJWDNB-CYBMUJFWSA-N	0	0	198.350	3.466	10	0		AGAERN
CC(=O)[C@@H]1CCC(C)(C)C[C@@H]1C	88133615	573079096	/nfs/dbraw/zinc/07/90/96/573079096.db2.gz	LHTGZGGFHJPEEH-WCBMZHEXSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(CC)Oc1c(C)cccc1N	128616204	573079184	/nfs/dbraw/zinc/07/91/84/573079184.db2.gz	ZZTMVASQOLIJRN-UHFFFAOYSA-N	0	0	193.290	3.145	10	0		AGAERN
CCC(=O)[C@@H]1CCC(C)(C)C[C@H]1C	88133622	573079832	/nfs/dbraw/zinc/07/98/32/573079832.db2.gz	NJJUJUIDQVALTN-NXEZZACHSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@]1(C)C[C@H](C(C)C)CC1=O	238270259	573079917	/nfs/dbraw/zinc/07/99/17/573079917.db2.gz	YUFNHBIPMHSHBR-KOLCDFICSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(=O)[C@H]1CCC(C)(C)C[C@H]1C	88133625	573080172	/nfs/dbraw/zinc/08/01/72/573080172.db2.gz	NJJUJUIDQVALTN-ZJUUUORDSA-N	0	0	182.307	3.428	10	0		AGAERN
Oc1ccc2c(c1)-c1ccccc1-2	114483513	573080313	/nfs/dbraw/zinc/08/03/13/573080313.db2.gz	RJZVPMPYWPKKER-UHFFFAOYSA-N	0	0	168.195	3.040	10	0		AGAERN
Cc1coc2c(F)cc(F)cc12	114451768	573080534	/nfs/dbraw/zinc/08/05/34/573080534.db2.gz	VGLRKBSYLUMRIK-UHFFFAOYSA-N	0	0	168.142	3.019	10	0		AGAERN
C=Cc1c(C)[nH]c2ccccc12	114483319	573080590	/nfs/dbraw/zinc/08/05/90/573080590.db2.gz	HSBARVULBRNVTD-UHFFFAOYSA-N	0	0	157.216	3.119	10	0		AGAERN
CCCCc1cc2c([nH]1)CC=CC=C2	238270043	573080747	/nfs/dbraw/zinc/08/07/47/573080747.db2.gz	NZEVGCLJPJICAW-UHFFFAOYSA-N	0	0	187.286	3.483	10	0		AGAERN
CC[C@H]1c2ccccc2[C@@H](O)[C@@H]1CC	238269683	573080799	/nfs/dbraw/zinc/08/07/99/573080799.db2.gz	DUDDVKGIOXHOKJ-BREBYQMCSA-N	0	0	190.286	3.253	10	0		AGAERN
CCC(=O)[C@H]1CCC(C)(C)C[C@@H]1C	88133621	573080819	/nfs/dbraw/zinc/08/08/19/573080819.db2.gz	NJJUJUIDQVALTN-UWVGGRQHSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)[C@@H]1CCC(C)(C)C[C@H]1C	88133614	573081489	/nfs/dbraw/zinc/08/14/89/573081489.db2.gz	LHTGZGGFHJPEEH-PSASIEDQSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)c1cc(C(C)C)c(C=O)[nH]1	143939285	573081535	/nfs/dbraw/zinc/08/15/35/573081535.db2.gz	GGMODPCHBILFKZ-UHFFFAOYSA-N	0	0	179.263	3.074	10	0		AGAERN
CC[C@H](C)COc1c(C)cccc1N	128619248	573081606	/nfs/dbraw/zinc/08/16/06/573081606.db2.gz	ORPSVQCRWPDBCA-VIFPVBQESA-N	0	0	193.290	3.002	10	0		AGAERN
CC[C@H](O)[C@H]1CCC(C)(C)C[C@@H]1C	88133768	573081645	/nfs/dbraw/zinc/08/16/45/573081645.db2.gz	GLHOZXHHXZVQKX-DCAQKATOSA-N	0	0	184.323	3.220	10	0		AGAERN
OC1([C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1	123581016	573081709	/nfs/dbraw/zinc/08/17/09/573081709.db2.gz	BIBJEPRMVVERJQ-SDDRHHMPSA-N	0	0	194.318	3.118	10	0		AGAERN
CCCCOC(=O)C[C@@H](C)C(C)C	308490970	573081730	/nfs/dbraw/zinc/08/17/30/573081730.db2.gz	RCLBBRKQQKIJCK-SNVBAGLBSA-N	0	0	186.295	3.012	10	0		AGAERN
CCC[C@@H]1C[C@]1(O)C1CCC(C)CC1	123585462	573081792	/nfs/dbraw/zinc/08/17/92/573081792.db2.gz	SFIDZASXIFTQEC-TUUUFIMRSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(=O)[C@H]1CCC(C)(C)C[C@@H]1C	88133610	573081902	/nfs/dbraw/zinc/08/19/02/573081902.db2.gz	LHTGZGGFHJPEEH-WPRPVWTQSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC[C@@H]1CC[C@H](O)c2ccccc21	238271465	573082014	/nfs/dbraw/zinc/08/20/14/573082014.db2.gz	ZMFXSQNDCKMKRI-MFKMUULPSA-N	0	0	190.286	3.398	10	0		AGAERN
Cc1ccc(C)n1[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C	717104567	573082040	/nfs/dbraw/zinc/08/20/40/573082040.db2.gz	LFUXRBPNGDSNQR-HWNAMQAFSA-N	0	0	189.302	3.322	10	0		AGAERN
CC(C)c1ccc(SC=O)cc1	259323718	573082048	/nfs/dbraw/zinc/08/20/48/573082048.db2.gz	WKYZQIBMHZAOHS-UHFFFAOYSA-N	0	0	180.272	3.092	10	0		AGAERN
CCC[C@H]1CC(=O)CCC[C@@H]1C	238271213	573082107	/nfs/dbraw/zinc/08/21/07/573082107.db2.gz	FUDKWGYZNWVJML-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@H]1C[C@]1(O)C1CCC(C)CC1	123585629	573082123	/nfs/dbraw/zinc/08/21/23/573082123.db2.gz	SFIDZASXIFTQEC-TYUFSLCMSA-N	0	0	196.334	3.364	10	0		AGAERN
c1ccc2c(C3CC3)c[nH]c2c1	114480301	573082308	/nfs/dbraw/zinc/08/23/08/573082308.db2.gz	HPHXDKQLZSKUKB-UHFFFAOYSA-N	0	0	157.216	3.045	10	0		AGAERN
CCCCC[C@@H](CO)C(C)(C)C	114468513	573082424	/nfs/dbraw/zinc/08/24/24/573082424.db2.gz	CQUHYXHIFBUGRG-JTQLQIEISA-N	0	0	172.312	3.221	10	0		AGAERN
OC1([C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	123580811	573082471	/nfs/dbraw/zinc/08/24/71/573082471.db2.gz	BIBJEPRMVVERJQ-QJPTWQEYSA-N	0	0	194.318	3.118	10	0		AGAERN
C/C=C(\CC)c1nc(C(C)C)no1	308252964	573082502	/nfs/dbraw/zinc/08/25/02/573082502.db2.gz	CGNYRVVOKQVFHG-VMPITWQZSA-N	0	0	180.251	3.006	10	0		AGAERN
OC(CC1CC1)(C1CCC1)C1CCC1	308497389	573082908	/nfs/dbraw/zinc/08/29/08/573082908.db2.gz	UGLYMAWGUSXTEW-UHFFFAOYSA-N	0	0	194.318	3.118	10	0		AGAERN
CCc1c[nH]c(=S)n1[C@H](C)C(C)C	88146010	573082937	/nfs/dbraw/zinc/08/29/37/573082937.db2.gz	LULDKJTUCXLYJM-MRVPVSSYSA-N	0	0	198.335	3.325	10	0		AGAERN
Cc1c[nH]c(=S)n1[C@@H]1CCC[C@H]1C	88146706	573083622	/nfs/dbraw/zinc/08/36/22/573083622.db2.gz	RIZZHOBENRHJIF-VXNVDRBHSA-N	0	0	196.319	3.215	10	0		AGAERN
CC(C)C(=O)C(C1CCC1)C1CCC1	308497311	573082979	/nfs/dbraw/zinc/08/29/79/573082979.db2.gz	UDRCMNHLNVZUSL-UHFFFAOYSA-N	0	0	194.318	3.428	10	0		AGAERN
CCC[C@H](C)n1cc(C)[nH]c1=S	88154322	573083043	/nfs/dbraw/zinc/08/30/43/573083043.db2.gz	OHPNYYHOKDKYDQ-QMMMGPOBSA-N	0	0	184.308	3.215	10	0		AGAERN
CCc1c[nH]c(=S)n1[C@H](C)CC	88145891	573083099	/nfs/dbraw/zinc/08/30/99/573083099.db2.gz	KMAXBHDHZQJJKN-SSDOTTSWSA-N	0	0	184.308	3.079	10	0		AGAERN
FC(F)(F)/C=C\c1cccs1	686252558	573083175	/nfs/dbraw/zinc/08/31/75/573083175.db2.gz	YKTIBONALBAEAW-ARJAWSKDSA-N	0	0	178.178	3.324	10	0		AGAERN
CCCCc1ccc2c(c1)[C@@H](O)CC2	238272754	573083356	/nfs/dbraw/zinc/08/33/56/573083356.db2.gz	NITDKLIFDACZPU-ZDUSSCGKSA-N	0	0	190.286	3.009	10	0		AGAERN
Cc1c[nH]c(=S)n1[C@H]1CCC[C@@H]1C	88146705	573083380	/nfs/dbraw/zinc/08/33/80/573083380.db2.gz	RIZZHOBENRHJIF-CBAPKCEASA-N	0	0	196.319	3.215	10	0		AGAERN
CCC(C)(C)COC(=O)CC(C)C	308252441	573083478	/nfs/dbraw/zinc/08/34/78/573083478.db2.gz	BZPLYWSLPCULCM-UHFFFAOYSA-N	0	0	186.295	3.012	10	0		AGAERN
Cc1c[nH]c(=S)n1[C@H](C)CC(C)C	88146087	573084651	/nfs/dbraw/zinc/08/46/51/573084651.db2.gz	SRRQXAJEOKUJDW-MRVPVSSYSA-N	0	0	198.335	3.461	10	0		AGAERN
CCC[C@H](C)n1c(C)c[nH]c1=S	88145845	573084252	/nfs/dbraw/zinc/08/42/52/573084252.db2.gz	BTYGFAKCKKYPIQ-ZETCQYMHSA-N	0	0	184.308	3.215	10	0		AGAERN
Cc1c[nH]c(=S)n1C1CCCCC1	88145956	573084329	/nfs/dbraw/zinc/08/43/29/573084329.db2.gz	ZUFGFDUCRSGBMW-UHFFFAOYSA-N	0	0	196.319	3.359	10	0		AGAERN
CCc1c(C)cccc1Cl	114464318	573084468	/nfs/dbraw/zinc/08/44/68/573084468.db2.gz	FWERKJAEJMLMIW-UHFFFAOYSA-N	0	0	154.640	3.211	10	0		AGAERN
CC(C)n1c(C(C)(C)C)c[nH]c1=S	88145780	573084532	/nfs/dbraw/zinc/08/45/32/573084532.db2.gz	UNSHLAPYEYEPRW-UHFFFAOYSA-N	0	0	198.335	3.424	10	0		AGAERN
CCC[C@@H](C)n1cc(C)[nH]c1=S	88154320	573085284	/nfs/dbraw/zinc/08/52/84/573085284.db2.gz	OHPNYYHOKDKYDQ-MRVPVSSYSA-N	0	0	184.308	3.215	10	0		AGAERN
CCC[C@H]1CC(=O)CCC[C@H]1C	238271222	573084855	/nfs/dbraw/zinc/08/48/55/573084855.db2.gz	FUDKWGYZNWVJML-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H](C(C)C)n1c(C)c[nH]c1=S	88146283	573085293	/nfs/dbraw/zinc/08/52/93/573085293.db2.gz	CDYIRESTUJJABD-VIFPVBQESA-N	0	0	198.335	3.461	10	0		AGAERN
CCc1c[nH]c(=S)n1[C@@H](C)C1CC1	88146112	573084998	/nfs/dbraw/zinc/08/49/98/573084998.db2.gz	QDNHFTQGXKXHMY-ZETCQYMHSA-N	0	0	196.319	3.079	10	0		AGAERN
Cc1c[nH]c(=S)n1[C@H](C)CC1CC1	88153706	573085036	/nfs/dbraw/zinc/08/50/36/573085036.db2.gz	JDAFSLMINQAAQL-SSDOTTSWSA-N	0	0	196.319	3.215	10	0		AGAERN
CCC[C@@H](C)n1c(C)c[nH]c1=S	88145844	573085122	/nfs/dbraw/zinc/08/51/22/573085122.db2.gz	BTYGFAKCKKYPIQ-SSDOTTSWSA-N	0	0	184.308	3.215	10	0		AGAERN
Cc1c[nH]c(=S)n1[C@H](C)C(C)C	88146008	573085328	/nfs/dbraw/zinc/08/53/28/573085328.db2.gz	GDTGZPKXYYOZKC-MRVPVSSYSA-N	0	0	184.308	3.071	10	0		AGAERN
CCC[C@@H](C)n1c(CC)c[nH]c1=S	88145846	573085344	/nfs/dbraw/zinc/08/53/44/573085344.db2.gz	HVMRURXUZCFBHK-MRVPVSSYSA-N	0	0	198.335	3.469	10	0		AGAERN
CCc1c[nH]c(=S)n1C1CCCC1	88145936	573085777	/nfs/dbraw/zinc/08/57/77/573085777.db2.gz	JKKQEYGBVSIQNQ-UHFFFAOYSA-N	0	0	196.319	3.223	10	0		AGAERN
CCc1c[nH]c(=S)n1CC(C)(C)C	88146211	573085663	/nfs/dbraw/zinc/08/56/63/573085663.db2.gz	GSOSKXRABSWJQX-UHFFFAOYSA-N	0	0	198.335	3.154	10	0		AGAERN
CC[C@@H](C)[C@@H](C)n1c(C)c[nH]c1=S	88146242	573085806	/nfs/dbraw/zinc/08/58/06/573085806.db2.gz	QSRXTOLXEPQEAX-VXNVDRBHSA-N	0	0	198.335	3.461	10	0		AGAERN
CCc1c[nH]c(=S)n1[C@H]1CC1(C)C	88146539	573085942	/nfs/dbraw/zinc/08/59/42/573085942.db2.gz	RTKMVYKPTBYBNA-QMMMGPOBSA-N	0	0	196.319	3.079	10	0		AGAERN
Cc1c[nH]c(=S)n1[C@@H]1CCC[C@@H]1C	88146704	573086068	/nfs/dbraw/zinc/08/60/68/573086068.db2.gz	RIZZHOBENRHJIF-IONNQARKSA-N	0	0	196.319	3.215	10	0		AGAERN
Cc1c[nH]c(=S)n1[C@H]1CCC[C@H]1C	88146707	573086112	/nfs/dbraw/zinc/08/61/12/573086112.db2.gz	RIZZHOBENRHJIF-APPZFPTMSA-N	0	0	196.319	3.215	10	0		AGAERN
Cc1c[nH]c(=S)n1[C@@H](C)CC1CC1	88153704	573086224	/nfs/dbraw/zinc/08/62/24/573086224.db2.gz	JDAFSLMINQAAQL-ZETCQYMHSA-N	0	0	196.319	3.215	10	0		AGAERN
CCC[C@@H]1C[C@@]1(O)C1CCC(C)CC1	123585814	573086228	/nfs/dbraw/zinc/08/62/28/573086228.db2.gz	SFIDZASXIFTQEC-FIYWTHMPSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)(C)c1c[nH]c(=S)n1C1CC1	88145928	573086452	/nfs/dbraw/zinc/08/64/52/573086452.db2.gz	SNFOUOOWNGXQIJ-UHFFFAOYSA-N	0	0	196.319	3.178	10	0		AGAERN
CCC[C@H]1C[C@@]1(O)C1CCC(C)CC1	123586036	573086580	/nfs/dbraw/zinc/08/65/80/573086580.db2.gz	SFIDZASXIFTQEC-IFWUJCSASA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1c[nH]c(=S)n1C1(C)CCCC1	88153881	573086693	/nfs/dbraw/zinc/08/66/93/573086693.db2.gz	JNGGCQWWFICZBN-UHFFFAOYSA-N	0	0	196.319	3.143	10	0		AGAERN
Cc1sccc1C(F)(F)F	114542000	573086715	/nfs/dbraw/zinc/08/67/15/573086715.db2.gz	JLIZZPIAVHYCIG-UHFFFAOYSA-N	0	0	166.167	3.075	10	0		AGAERN
CCc1c[nH]c(=S)n1C(C)(C)CC	88145947	573086787	/nfs/dbraw/zinc/08/67/87/573086787.db2.gz	IZBHSGBMAIXWOU-UHFFFAOYSA-N	0	0	198.335	3.253	10	0		AGAERN
CC[C@@H](O)C[C@@H]1CC=C(C)C1(C)C	238271979	573086806	/nfs/dbraw/zinc/08/68/06/573086806.db2.gz	FTRJMSPNNNASOM-WDEREUQCSA-N	0	0	182.307	3.140	10	0		AGAERN
CCc1c[nH]c(=S)n1[C@@H]1CC1(C)C	88146538	573086812	/nfs/dbraw/zinc/08/68/12/573086812.db2.gz	RTKMVYKPTBYBNA-MRVPVSSYSA-N	0	0	196.319	3.079	10	0		AGAERN
Cc1c[nH]c(=S)n1[C@@H](C)CC(C)C	88146086	573086839	/nfs/dbraw/zinc/08/68/39/573086839.db2.gz	SRRQXAJEOKUJDW-QMMMGPOBSA-N	0	0	198.335	3.461	10	0		AGAERN
COc1ccc(C)cc1C(F)(F)F	114541051	573086854	/nfs/dbraw/zinc/08/68/54/573086854.db2.gz	NMRKAXBGDYTCNN-UHFFFAOYSA-N	0	0	190.164	3.022	10	0		AGAERN
CCc1c[nH]c(=S)n1[C@@H](C)C(C)C	88146009	573086989	/nfs/dbraw/zinc/08/69/89/573086989.db2.gz	LULDKJTUCXLYJM-QMMMGPOBSA-N	0	0	198.335	3.325	10	0		AGAERN
CCCn1c(C(C)(C)C)c[nH]c1=S	88145940	573086954	/nfs/dbraw/zinc/08/69/54/573086954.db2.gz	SHWJDGPIMSZZHP-UHFFFAOYSA-N	0	0	198.335	3.253	10	0		AGAERN
CCC(CC)C[C@H]1CCC[C@H](O)C1	128682523	573086983	/nfs/dbraw/zinc/08/69/83/573086983.db2.gz	NOBIICSRNTYRCJ-NEPJUHHUSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H]1C[C@@H](C)c2ccc(O)cc2N1	238272818	573087389	/nfs/dbraw/zinc/08/73/89/573087389.db2.gz	CPDXGPAPUOLGEO-RKDXNWHRSA-N	0	0	191.274	3.090	10	0		AGAERN
CCc1c[nH]c(=S)n1[C@H](C)C1CC1	88146113	573087390	/nfs/dbraw/zinc/08/73/90/573087390.db2.gz	QDNHFTQGXKXHMY-SSDOTTSWSA-N	0	0	196.319	3.079	10	0		AGAERN
CCC(CC)C[C@@H]1CCC[C@@H](O)C1	128682751	573087433	/nfs/dbraw/zinc/08/74/33/573087433.db2.gz	NOBIICSRNTYRCJ-NWDGAFQWSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H](C)[C@H](C)n1c(C)c[nH]c1=S	88146244	573087453	/nfs/dbraw/zinc/08/74/53/573087453.db2.gz	QSRXTOLXEPQEAX-APPZFPTMSA-N	0	0	198.335	3.461	10	0		AGAERN
CCC(CC)C[C@H]1CCC[C@@H](O)C1	128682965	573087598	/nfs/dbraw/zinc/08/75/98/573087598.db2.gz	NOBIICSRNTYRCJ-VXGBXAGGSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1c[nH]c(=S)n1C[C@H](C)C(C)C	88153842	573087629	/nfs/dbraw/zinc/08/76/29/573087629.db2.gz	PQHZGUFHSYWUSQ-QMMMGPOBSA-N	0	0	198.335	3.146	10	0		AGAERN
CCC(CC)C[C@@H]1CCC[C@H](O)C1	128682313	573088601	/nfs/dbraw/zinc/08/86/01/573088601.db2.gz	NOBIICSRNTYRCJ-RYUDHWBXSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1cn([C@H](C)CC(C)C)c(=S)[nH]1	88154528	573088764	/nfs/dbraw/zinc/08/87/64/573088764.db2.gz	QFALYMQFOQBJIO-SECBINFHSA-N	0	0	198.335	3.461	10	0		AGAERN
CC[C@H](C)[C@@H](C)n1cc(C)[nH]c1=S	88154656	573088856	/nfs/dbraw/zinc/08/88/56/573088856.db2.gz	GQRWUUCZKNLYGH-IONNQARKSA-N	0	0	198.335	3.461	10	0		AGAERN
Cc1cn(C2CCCCC2)c(=S)[nH]1	88154417	573089485	/nfs/dbraw/zinc/08/94/85/573089485.db2.gz	BFRZKSBSLUBTIZ-UHFFFAOYSA-N	0	0	196.319	3.359	10	0		AGAERN
Cc1cn([C@@H](C)C(C)C)c(=S)[nH]1	88154457	573089738	/nfs/dbraw/zinc/08/97/38/573089738.db2.gz	KXBULMUGOKSBAX-QMMMGPOBSA-N	0	0	184.308	3.071	10	0		AGAERN
Cc1cn(CC2CCCC2)c(=S)[nH]1	88154522	573090312	/nfs/dbraw/zinc/09/03/12/573090312.db2.gz	GQZLSCLCQRESJC-UHFFFAOYSA-N	0	0	196.319	3.044	10	0		AGAERN
CC[C@@H](C)[C@@H](C)n1cc(C)[nH]c1=S	88154654	573090411	/nfs/dbraw/zinc/09/04/11/573090411.db2.gz	GQRWUUCZKNLYGH-VXNVDRBHSA-N	0	0	198.335	3.461	10	0		AGAERN
CC[C@H](C)[C@H](C)n1cc(C)[nH]c1=S	88154660	573090672	/nfs/dbraw/zinc/09/06/72/573090672.db2.gz	GQRWUUCZKNLYGH-CBAPKCEASA-N	0	0	198.335	3.461	10	0		AGAERN
CCCCCCN[C@@H](C)C(F)(F)F	388683715	573091512	/nfs/dbraw/zinc/09/15/12/573091512.db2.gz	JHWXTUMYLLDJQF-QMMMGPOBSA-N	0	0	197.244	3.107	10	0		AGAERN
CC[C@H](C(C)C)n1cc(C)[nH]c1=S	88154692	573091536	/nfs/dbraw/zinc/09/15/36/573091536.db2.gz	SQUOAKDGSKZUJI-SECBINFHSA-N	0	0	198.335	3.461	10	0		AGAERN
CCC[C@H]1CC[C@@H](C)CC(=O)C1	238275486	573091546	/nfs/dbraw/zinc/09/15/46/573091546.db2.gz	CNJMQQPLQCZWCI-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1cn([C@@H]2CCC[C@@H]2C)c(=S)[nH]1	88155119	573091655	/nfs/dbraw/zinc/09/16/55/573091655.db2.gz	NNYIOHGWSDSEFX-IONNQARKSA-N	0	0	196.319	3.215	10	0		AGAERN
CC(C)C[C@H](C)Oc1ccc(F)nc1	308500758	573091700	/nfs/dbraw/zinc/09/17/00/573091700.db2.gz	WFBTWBXOGQEDRK-VIFPVBQESA-N	0	0	197.253	3.034	10	0		AGAERN
Cc1cn([C@H](C)CC2CC2)c(=S)[nH]1	88155195	573091818	/nfs/dbraw/zinc/09/18/18/573091818.db2.gz	JFNWJKLIIPNJIB-MRVPVSSYSA-N	0	0	196.319	3.215	10	0		AGAERN
Cc1cc(C(C)C)cc(C=O)c1C	257943328	573091874	/nfs/dbraw/zinc/09/18/74/573091874.db2.gz	VHCNPEJVAWBLKK-UHFFFAOYSA-N	0	0	176.259	3.239	10	0		AGAERN
CC[C@H](C)[C@H]1CCC[C@@H](C)C1=O	238273507	573091920	/nfs/dbraw/zinc/09/19/20/573091920.db2.gz	PYZQOZRHRNLXRQ-IVZWLZJFSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@@H](C)Cc1ccc(O)cc1C	238273248	573091960	/nfs/dbraw/zinc/09/19/60/573091960.db2.gz	RAZISMRJESTCNI-SECBINFHSA-N	0	0	178.275	3.289	10	0		AGAERN
CCC(CC)n1cc(C)[nH]c1=S	88154404	573091972	/nfs/dbraw/zinc/09/19/72/573091972.db2.gz	VLDPBFVPMCZZHB-UHFFFAOYSA-N	0	0	184.308	3.215	10	0		AGAERN
CC[C@H](C)c1cccc(C)c1O	114557619	573092048	/nfs/dbraw/zinc/09/20/48/573092048.db2.gz	IJYMKBRMIMMBQW-QMMMGPOBSA-N	0	0	164.248	3.214	10	0		AGAERN
Cc1cn(C[C@H](C)C(C)C)c(=S)[nH]1	88155265	573092267	/nfs/dbraw/zinc/09/22/67/573092267.db2.gz	CNUNCPALDFJSLM-QMMMGPOBSA-N	0	0	198.335	3.146	10	0		AGAERN
Cc1cn([C@H]2CCC[C@@H]2C)c(=S)[nH]1	88155120	573092299	/nfs/dbraw/zinc/09/22/99/573092299.db2.gz	NNYIOHGWSDSEFX-CBAPKCEASA-N	0	0	196.319	3.215	10	0		AGAERN
Cc1cn([C@@H](C)CC2CC2)c(=S)[nH]1	88155191	573092333	/nfs/dbraw/zinc/09/23/33/573092333.db2.gz	JFNWJKLIIPNJIB-QMMMGPOBSA-N	0	0	196.319	3.215	10	0		AGAERN
CC[C@@H](C)c1cccc(C)c1O	114557617	573092353	/nfs/dbraw/zinc/09/23/53/573092353.db2.gz	IJYMKBRMIMMBQW-MRVPVSSYSA-N	0	0	164.248	3.214	10	0		AGAERN
CC[C@@H](C)[C@H](C)n1cc(C)[nH]c1=S	88154658	573092486	/nfs/dbraw/zinc/09/24/86/573092486.db2.gz	GQRWUUCZKNLYGH-APPZFPTMSA-N	0	0	198.335	3.461	10	0		AGAERN
CC[C@@H]1C[C@H](C)c2ccc(O)cc2N1	238273359	573092878	/nfs/dbraw/zinc/09/28/78/573092878.db2.gz	CPDXGPAPUOLGEO-DTWKUNHWSA-N	0	0	191.274	3.090	10	0		AGAERN
CC[C@H](C)[C@H]1CC[C@@H](C)CC1=O	238273626	573092925	/nfs/dbraw/zinc/09/29/25/573092925.db2.gz	QSIZXATVXZYPKI-KXUCPTDWSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)(C)SCC(F)(F)F	114567020	573093007	/nfs/dbraw/zinc/09/30/07/573093007.db2.gz	UDGFGQHNYWYFHC-UHFFFAOYSA-N	0	0	172.215	3.080	10	0		AGAERN
CC(C)c1cnc(C(C)C)s1	114590242	573093088	/nfs/dbraw/zinc/09/30/88/573093088.db2.gz	PHAPWDCPWSDEHB-UHFFFAOYSA-N	0	0	169.293	3.390	10	0		AGAERN
CC(C)[C@@H]1CCC[C@@]2(CC1)C[C@@H]2CO	88158845	573093423	/nfs/dbraw/zinc/09/34/23/573093423.db2.gz	JZIZEHHLTJOFAD-JHJVBQTASA-N	0	0	196.334	3.221	10	0		AGAERN
CC[C@](C)(C(C)=O)C(C)(C)C	238275252	573093573	/nfs/dbraw/zinc/09/35/73/573093573.db2.gz	OWSDABSGRVSNLK-SNVBAGLBSA-N	0	0	156.269	3.038	10	0		AGAERN
CCCCc1ccc2c(c1)CC[C@@H]2O	238272880	573093845	/nfs/dbraw/zinc/09/38/45/573093845.db2.gz	YKZYZCRBNPVALG-ZDUSSCGKSA-N	0	0	190.286	3.009	10	0		AGAERN
CC(C)[C@@H]1CCC[C@]2(CC1)C[C@@H]2CO	88158847	573094447	/nfs/dbraw/zinc/09/44/47/573094447.db2.gz	JZIZEHHLTJOFAD-UPJWGTAASA-N	0	0	196.334	3.221	10	0		AGAERN
CCC[C@@H]1CCC[C@@]2(CC1)C[C@@H]2CO	88158853	573094924	/nfs/dbraw/zinc/09/49/24/573094924.db2.gz	QLRLGBZZUQXBBE-JHJVBQTASA-N	0	0	196.334	3.365	10	0		AGAERN
Cc1ccc(C(C)(C)C)cc1F	114615871	573094931	/nfs/dbraw/zinc/09/49/31/573094931.db2.gz	CELWDSBEZNZRRQ-UHFFFAOYSA-N	0	0	166.239	3.432	10	0		AGAERN
Cc1cc(C)c2cc(O)ccc2c1	114628950	573095097	/nfs/dbraw/zinc/09/50/97/573095097.db2.gz	ZSIGBPGSMRRMCR-UHFFFAOYSA-N	0	0	172.227	3.162	10	0		AGAERN
Cc1csc(C(=O)CCC2CC2)c1	393497733	573095128	/nfs/dbraw/zinc/09/51/28/573095128.db2.gz	JVNBKWPCNNPXOG-UHFFFAOYSA-N	0	0	194.299	3.429	10	0		AGAERN
CCCc1cc(N=O)cc(C)c1O	238277334	573095303	/nfs/dbraw/zinc/09/53/03/573095303.db2.gz	UOXWTQNJPFPVNX-UHFFFAOYSA-N	0	0	179.219	3.051	10	0		AGAERN
CCC[C@@H]1CCC[C@]2(CC1)C[C@@H]2CO	88158855	573095183	/nfs/dbraw/zinc/09/51/83/573095183.db2.gz	QLRLGBZZUQXBBE-UPJWGTAASA-N	0	0	196.334	3.365	10	0		AGAERN
CCC[C@@H]1C[C@H]1c1ccsc1N	238275956	573095396	/nfs/dbraw/zinc/09/53/96/573095396.db2.gz	KHZLNLRNQHHHCU-VXNVDRBHSA-N	0	0	181.304	3.234	10	0		AGAERN
CC(C)(C)C1CCC2(CC1)C[C@@H]2CO	88158929	573095589	/nfs/dbraw/zinc/09/55/89/573095589.db2.gz	WXXXNYRGVFPRQC-QWKFWESOSA-N	0	0	196.334	3.221	10	0		AGAERN
CC[C@H](C)[C@]1(C)CCCCC1=O	238276831	573095644	/nfs/dbraw/zinc/09/56/44/573095644.db2.gz	PZZABECDAGBZGE-ONGXEEELSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H](O)[C@@H]1CC(=C(C)C)CC=C1C	238276246	573095652	/nfs/dbraw/zinc/09/56/52/573095652.db2.gz	WLJXKKRTDGIXPQ-CHWSQXEVSA-N	0	0	194.318	3.450	10	0		AGAERN
CCc1ccc(F)c(F)c1CC	238276468	573095836	/nfs/dbraw/zinc/09/58/36/573095836.db2.gz	PAOWBSVSTLFPHF-UHFFFAOYSA-N	0	0	170.202	3.090	10	0		AGAERN
CC[C@H](C)[C@]1(C)CCCC(=O)C1	238276817	573095926	/nfs/dbraw/zinc/09/59/26/573095926.db2.gz	YMROHKFGKJVCTH-GXSJLCMTSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1ccc2c(c1)C(C)(C)C[C@H](C)N2	257940828	573096465	/nfs/dbraw/zinc/09/64/65/573096465.db2.gz	DELWSLGNTVRQMI-JTQLQIEISA-N	0	0	189.302	3.477	10	0		AGAERN
CC[C@H](c1cccc(Cl)c1)[C@H](C)O	85658636	573096622	/nfs/dbraw/zinc/09/66/22/573096622.db2.gz	LNOOEAKTCFWQAC-KWQFWETISA-N	0	0	198.693	3.214	10	0		AGAERN
CCC[C@@H]1C[C@H]1c1cscc1N	238275970	573096748	/nfs/dbraw/zinc/09/67/48/573096748.db2.gz	AJTVGESESLASSL-HTQZYQBOSA-N	0	0	181.304	3.234	10	0		AGAERN
CC(C)(C)C1CCC2(CC1)C[C@H]2CO	88158930	573096792	/nfs/dbraw/zinc/09/67/92/573096792.db2.gz	WXXXNYRGVFPRQC-AKJDGMEZSA-N	0	0	196.334	3.221	10	0		AGAERN
CC[C@H](C)C(=O)c1ccccc1F	82561313	573096966	/nfs/dbraw/zinc/09/69/66/573096966.db2.gz	CNXAMVHSXYUKKO-QMMMGPOBSA-N	0	0	180.222	3.055	10	0		AGAERN
CC[C@@H](C)C(=O)c1cc(F)cc(F)c1	82561368	573097027	/nfs/dbraw/zinc/09/70/27/573097027.db2.gz	YTTCHLTYJRWADV-SSDOTTSWSA-N	0	0	198.212	3.194	10	0		AGAERN
CC[C@@H](O)[C@@H]1CCC(C)=CC1(C)C	238276503	573097031	/nfs/dbraw/zinc/09/70/31/573097031.db2.gz	NIRNIAPBUQPCDY-WDEREUQCSA-N	0	0	182.307	3.140	10	0		AGAERN
CC[C@H](c1ccc(Cl)cc1)[C@@H](C)O	85658626	573097115	/nfs/dbraw/zinc/09/71/15/573097115.db2.gz	ZCEWOMZUMOVWBI-KCJUWKMLSA-N	0	0	198.693	3.214	10	0		AGAERN
CCC[C@@H]1C[C@H]1c1sccc1N	238275983	573097128	/nfs/dbraw/zinc/09/71/28/573097128.db2.gz	NKKZNNUITIHXBX-HTQZYQBOSA-N	0	0	181.304	3.234	10	0		AGAERN
CC[C@@H](C)C(=O)c1cccc(F)c1	82561344	573097198	/nfs/dbraw/zinc/09/71/98/573097198.db2.gz	HQMPCOQEJKAHRL-MRVPVSSYSA-N	0	0	180.222	3.055	10	0		AGAERN
CC[C@@H](C)C(=O)c1cccc(C)c1	82561310	573097241	/nfs/dbraw/zinc/09/72/41/573097241.db2.gz	UOGKJMSXURFVSW-SNVBAGLBSA-N	0	0	176.259	3.224	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1cccc(C)c1	82561727	573097300	/nfs/dbraw/zinc/09/73/00/573097300.db2.gz	BJQUWMNTWPJWQV-CMPLNLGQSA-N	0	0	178.275	3.075	10	0		AGAERN
CC[C@H](C)[C@H](O)c1cc(C)cc(C)c1	82561481	573097331	/nfs/dbraw/zinc/09/73/31/573097331.db2.gz	OZTGYELZUXCAIZ-AAEUAGOBSA-N	0	0	192.302	3.383	10	0		AGAERN
CCC[C@H]1CC[C@H](C)CC(=O)C1	238276634	573097342	/nfs/dbraw/zinc/09/73/42/573097342.db2.gz	CNJMQQPLQCZWCI-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1ccc([C@@H]2CC(=O)C2(C)C)cc1	88177464	573097373	/nfs/dbraw/zinc/09/73/73/573097373.db2.gz	CHEPBADJGBSJQN-NSHDSACASA-N	0	0	188.270	3.078	10	0		AGAERN
CC[C@H](C)C(=O)c1ccc(F)c(C)c1	82561389	573097377	/nfs/dbraw/zinc/09/73/77/573097377.db2.gz	HTIAOOYKHOEERU-QMMMGPOBSA-N	0	0	194.249	3.363	10	0		AGAERN
CCc1ccc([C@H]2CC(=O)[C@@H]2C)s1	88177207	573097380	/nfs/dbraw/zinc/09/73/80/573097380.db2.gz	AUTKTAPQQCXPKV-APPZFPTMSA-N	0	0	194.299	3.003	10	0		AGAERN
CC(C)N(O)CCCC1CCCC1	308255984	573097425	/nfs/dbraw/zinc/09/74/25/573097425.db2.gz	KNKUVDJQHUPEDW-UHFFFAOYSA-N	0	0	185.311	3.056	10	0		AGAERN
CCc1ccc([C@@H]2CC(=O)[C@@H]2C)s1	88177206	573097477	/nfs/dbraw/zinc/09/74/77/573097477.db2.gz	AUTKTAPQQCXPKV-VXNVDRBHSA-N	0	0	194.299	3.003	10	0		AGAERN
O=C(c1ccc[nH]1)C1CCCCCC1	82564045	573097479	/nfs/dbraw/zinc/09/74/79/573097479.db2.gz	BVQHGAOBIXOHRK-UHFFFAOYSA-N	0	0	191.274	3.168	10	0		AGAERN
CC[C@]1(C)C(=O)C[C@@H]1c1cccs1	88177975	573097487	/nfs/dbraw/zinc/09/74/87/573097487.db2.gz	KMEVOJHBWNQCRH-KCJUWKMLSA-N	0	0	194.299	3.221	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1cccc(C)c1	82561726	573097526	/nfs/dbraw/zinc/09/75/26/573097526.db2.gz	BJQUWMNTWPJWQV-ZYHUDNBSSA-N	0	0	178.275	3.075	10	0		AGAERN
CCc1ccc([C@H]2CC(=O)[C@H]2C)s1	88177209	573097564	/nfs/dbraw/zinc/09/75/64/573097564.db2.gz	AUTKTAPQQCXPKV-CBAPKCEASA-N	0	0	194.299	3.003	10	0		AGAERN
CC[C@@H]1C(=O)C[C@@H]1c1ccccc1C	88177891	573097629	/nfs/dbraw/zinc/09/76/29/573097629.db2.gz	QTOUTWXOTBGZFM-JQWIXIFHSA-N	0	0	188.270	3.078	10	0		AGAERN
CC(C)c1ccc([C@H](C)[C@@H](C)O)cc1	85658237	573097632	/nfs/dbraw/zinc/09/76/32/573097632.db2.gz	UZUYSULGXGNJMW-GHMZBOCLSA-N	0	0	192.302	3.294	10	0		AGAERN
Cc1ccc([C@@H]2CC(=O)C2(C)C)s1	88177530	573097646	/nfs/dbraw/zinc/09/76/46/573097646.db2.gz	WWTMLTFUAWJDLZ-QMMMGPOBSA-N	0	0	194.299	3.139	10	0		AGAERN
CC[C@@H](C)C(=O)c1ccc(F)c(C)c1	82561388	573097679	/nfs/dbraw/zinc/09/76/79/573097679.db2.gz	HTIAOOYKHOEERU-MRVPVSSYSA-N	0	0	194.249	3.363	10	0		AGAERN
CC(C)c1ccc([C@@H](C)[C@@H](C)O)cc1	85658235	573097713	/nfs/dbraw/zinc/09/77/13/573097713.db2.gz	UZUYSULGXGNJMW-WDEREUQCSA-N	0	0	192.302	3.294	10	0		AGAERN
Cc1cccc([C@@H]2CC(=O)C2(C)C)c1	88177476	573097715	/nfs/dbraw/zinc/09/77/15/573097715.db2.gz	PTRPUHKAKJUMMH-NSHDSACASA-N	0	0	188.270	3.078	10	0		AGAERN
CCc1ccc(F)cc1SC	238277537	573097730	/nfs/dbraw/zinc/09/77/30/573097730.db2.gz	YBEODYFCXKKPQS-UHFFFAOYSA-N	0	0	170.252	3.110	10	0		AGAERN
C[C@@H]1C(=O)C[C@@H]1c1cccc(Cl)c1	88177245	573097749	/nfs/dbraw/zinc/09/77/49/573097749.db2.gz	SBPQNRPDOJSBDD-XVKPBYJWSA-N	0	0	194.661	3.033	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1cc(C)ccc1F	82561598	573097756	/nfs/dbraw/zinc/09/77/56/573097756.db2.gz	QFVZGIFNGGZOHN-BXKDBHETSA-N	0	0	196.265	3.214	10	0		AGAERN
CC[C@]1(C)C(=O)C[C@H]1c1cccs1	88177973	573097766	/nfs/dbraw/zinc/09/77/66/573097766.db2.gz	KMEVOJHBWNQCRH-KWQFWETISA-N	0	0	194.299	3.221	10	0		AGAERN
CC[C@H](c1cccc(Cl)c1)[C@@H](C)O	85658632	573097770	/nfs/dbraw/zinc/09/77/70/573097770.db2.gz	LNOOEAKTCFWQAC-KCJUWKMLSA-N	0	0	198.693	3.214	10	0		AGAERN
CC[C@H]1C(=O)C[C@H]1c1sccc1C	88177836	573097772	/nfs/dbraw/zinc/09/77/72/573097772.db2.gz	ICWYFWFRHAJFJT-RKDXNWHRSA-N	0	0	194.299	3.139	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1cc(C)ccc1F	82561599	573097808	/nfs/dbraw/zinc/09/78/08/573097808.db2.gz	QFVZGIFNGGZOHN-JOYOIKCWSA-N	0	0	196.265	3.214	10	0		AGAERN
CC[C@H](C)C(=O)c1cc(F)cc(F)c1	82561369	573097842	/nfs/dbraw/zinc/09/78/42/573097842.db2.gz	YTTCHLTYJRWADV-ZETCQYMHSA-N	0	0	198.212	3.194	10	0		AGAERN
C[C@@H]1C(=O)C[C@@H]1c1ccccc1Cl	88177229	573097880	/nfs/dbraw/zinc/09/78/80/573097880.db2.gz	TXLXLJDGFPJQQM-CBAPKCEASA-N	0	0	194.661	3.033	10	0		AGAERN
CC[C@@H]1C(=O)C[C@H]1c1ccc(C)cc1	88177653	573097906	/nfs/dbraw/zinc/09/79/06/573097906.db2.gz	ORRSGMXUNVBZJT-RYUDHWBXSA-N	0	0	188.270	3.078	10	0		AGAERN
CC[C@H](C)[C@H](O)c1cccc(Cl)c1	82561473	573097927	/nfs/dbraw/zinc/09/79/27/573097927.db2.gz	OACYQLNHVIUKQL-KWQFWETISA-N	0	0	198.693	3.420	10	0		AGAERN
CC[C@@H]1C(=O)C[C@@H]1c1sccc1C	88177839	573097957	/nfs/dbraw/zinc/09/79/57/573097957.db2.gz	ICWYFWFRHAJFJT-IUCAKERBSA-N	0	0	194.299	3.139	10	0		AGAERN
CC[C@H](C)[C@H](O)c1cc(F)ccc1C	82561681	573097995	/nfs/dbraw/zinc/09/79/95/573097995.db2.gz	QCHWZSMHLQHORV-UFBFGSQYSA-N	0	0	196.265	3.214	10	0		AGAERN
CC[C@@]1(C)C(=O)C[C@H]1C(C)(C)C	88177944	573098049	/nfs/dbraw/zinc/09/80/49/573098049.db2.gz	ISQWEWYLJMCLAL-GZMMTYOYSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@H]1C(=O)C[C@H]1c1ccc(Cl)cc1	88177234	573098071	/nfs/dbraw/zinc/09/80/71/573098071.db2.gz	ZNWONWRHCLHILY-GMSGAONNSA-N	0	0	194.661	3.033	10	0		AGAERN
CC[C@@H]1C(=O)C[C@H]1c1ccccc1C	88177889	573098301	/nfs/dbraw/zinc/09/83/01/573098301.db2.gz	QTOUTWXOTBGZFM-CMPLNLGQSA-N	0	0	188.270	3.078	10	0		AGAERN
Cc1ccccc1[C@@H]1CC(=O)C1(C)C	88177578	573098319	/nfs/dbraw/zinc/09/83/19/573098319.db2.gz	FYWZDIDHFJCTRE-NSHDSACASA-N	0	0	188.270	3.078	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1cccc(C)c1	82561724	573098325	/nfs/dbraw/zinc/09/83/25/573098325.db2.gz	BJQUWMNTWPJWQV-PWSUYJOCSA-N	0	0	178.275	3.075	10	0		AGAERN
CC[C@]1(C)C(=O)C[C@@H]1c1ccsc1	88178159	573098326	/nfs/dbraw/zinc/09/83/26/573098326.db2.gz	LRVDDKCYTPLOAS-KOLCDFICSA-N	0	0	194.299	3.221	10	0		AGAERN
CC[C@H](C)[C@H](O)c1cccc(C)c1	82561725	573098345	/nfs/dbraw/zinc/09/83/45/573098345.db2.gz	BJQUWMNTWPJWQV-JQWIXIFHSA-N	0	0	178.275	3.075	10	0		AGAERN
Cc1ccccc1[C@H]1CC(=O)C1(C)C	88177579	573098357	/nfs/dbraw/zinc/09/83/57/573098357.db2.gz	FYWZDIDHFJCTRE-LLVKDONJSA-N	0	0	188.270	3.078	10	0		AGAERN
CC(C)c1ccc([C@@H](C)[C@H](C)O)cc1	85658239	573098371	/nfs/dbraw/zinc/09/83/71/573098371.db2.gz	UZUYSULGXGNJMW-QWRGUYRKSA-N	0	0	192.302	3.294	10	0		AGAERN
Cc1ccc([C@H]2CC(=O)C2(C)C)cc1	88177465	573098373	/nfs/dbraw/zinc/09/83/73/573098373.db2.gz	CHEPBADJGBSJQN-LLVKDONJSA-N	0	0	188.270	3.078	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1ccc(F)cc1C	82561718	573098385	/nfs/dbraw/zinc/09/83/85/573098385.db2.gz	AAMYFLLAABCAMA-PRHODGIISA-N	0	0	196.265	3.214	10	0		AGAERN
CC[C@H](C)C(=O)c1cc(F)ccc1C	82561333	573098394	/nfs/dbraw/zinc/09/83/94/573098394.db2.gz	FTXHABILEPYKQH-QMMMGPOBSA-N	0	0	194.249	3.363	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1ccc(F)c(C)c1	82561555	573098441	/nfs/dbraw/zinc/09/84/41/573098441.db2.gz	VVDKMSVWQOHGAU-QPUJVOFHSA-N	0	0	196.265	3.214	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1ccc(F)c(C)c1	82561552	573098474	/nfs/dbraw/zinc/09/84/74/573098474.db2.gz	VVDKMSVWQOHGAU-PELKAZGASA-N	0	0	196.265	3.214	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1ccccc1Cl	82561658	573098485	/nfs/dbraw/zinc/09/84/85/573098485.db2.gz	KBJASEISUWAWEI-LDYMZIIASA-N	0	0	198.693	3.420	10	0		AGAERN
CC[C@@]1(C)C(=O)C[C@@H]1C(C)(C)C	88177946	573098491	/nfs/dbraw/zinc/09/84/91/573098491.db2.gz	ISQWEWYLJMCLAL-LDYMZIIASA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1ccc2c(c1)C(C)(C)C[C@@H](C)N2	257940832	573098499	/nfs/dbraw/zinc/09/84/99/573098499.db2.gz	DELWSLGNTVRQMI-SNVBAGLBSA-N	0	0	189.302	3.477	10	0		AGAERN
Cc1cccc([C@H]2CC(=O)C2(C)C)c1	88177477	573098564	/nfs/dbraw/zinc/09/85/64/573098564.db2.gz	PTRPUHKAKJUMMH-LLVKDONJSA-N	0	0	188.270	3.078	10	0		AGAERN
CCC[C@H]1CC[C@@H](O)c2ccccc21	238276268	573098570	/nfs/dbraw/zinc/09/85/70/573098570.db2.gz	ZMFXSQNDCKMKRI-GXFFZTMASA-N	0	0	190.286	3.398	10	0		AGAERN
CC[C@H](C)Cc1cc(C)ccc1O	114628815	573098606	/nfs/dbraw/zinc/09/86/06/573098606.db2.gz	CRLNGUJMQKBQMA-VIFPVBQESA-N	0	0	178.275	3.289	10	0		AGAERN
Cc1cc(F)c2ccccc2c1	114628769	573098618	/nfs/dbraw/zinc/09/86/18/573098618.db2.gz	NJHZPGXJCQMQHT-UHFFFAOYSA-N	0	0	160.191	3.287	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1ccccc1C	82561498	573098619	/nfs/dbraw/zinc/09/86/19/573098619.db2.gz	SZTVDGUTIXCGIG-BXKDBHETSA-N	0	0	178.275	3.075	10	0		AGAERN
CC[C@@H](c1ccc(Cl)cc1)[C@@H](C)O	85658623	573098622	/nfs/dbraw/zinc/09/86/22/573098622.db2.gz	ZCEWOMZUMOVWBI-LDYMZIIASA-N	0	0	198.693	3.214	10	0		AGAERN
CC[C@H]1C(=O)C[C@H]1c1cccc(C)c1	88177676	573098623	/nfs/dbraw/zinc/09/86/23/573098623.db2.gz	MCGUFFSTCIDSHP-NEPJUHHUSA-N	0	0	188.270	3.078	10	0		AGAERN
CC[C@]1(C)C(=O)C[C@@H]1c1ccccc1	88177919	573098630	/nfs/dbraw/zinc/09/86/30/573098630.db2.gz	NFDORNCZCLNPNY-YPMHNXCESA-N	0	0	188.270	3.159	10	0		AGAERN
CC[C@]1(C)C(=O)C[C@H]1C(C)(C)C	88177945	573098657	/nfs/dbraw/zinc/09/86/57/573098657.db2.gz	ISQWEWYLJMCLAL-KWQFWETISA-N	0	0	168.280	3.038	10	0		AGAERN
CCSC(=O)Nc1cccc(C)c1	238276177	573098667	/nfs/dbraw/zinc/09/86/67/573098667.db2.gz	PODUNIXERJAIQU-UHFFFAOYSA-N	0	0	195.287	3.280	10	0		AGAERN
CCc1ccc(F)c(SC)c1	238276661	573098674	/nfs/dbraw/zinc/09/86/74/573098674.db2.gz	FLCLEPOYKROCOD-UHFFFAOYSA-N	0	0	170.252	3.110	10	0		AGAERN
Cc1ccccc1-c1nc(Cl)c[nH]1	258478645	573098680	/nfs/dbraw/zinc/09/86/80/573098680.db2.gz	IJKCAGMHPMCXFL-UHFFFAOYSA-N	0	0	192.649	3.039	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1cc(F)ccc1C	82561683	573098710	/nfs/dbraw/zinc/09/87/10/573098710.db2.gz	QCHWZSMHLQHORV-QPUJVOFHSA-N	0	0	196.265	3.214	10	0		AGAERN
CC[C@H]1C(=O)C[C@H]1c1ccccc1C	88177888	573098718	/nfs/dbraw/zinc/09/87/18/573098718.db2.gz	QTOUTWXOTBGZFM-ZYHUDNBSSA-N	0	0	188.270	3.078	10	0		AGAERN
C[C@H]1C(=O)C[C@@H]1c1ccc(Cl)cc1	88177236	573098735	/nfs/dbraw/zinc/09/87/35/573098735.db2.gz	ZNWONWRHCLHILY-XCBNKYQSSA-N	0	0	194.661	3.033	10	0		AGAERN
CC[C@H](C)C(=O)c1cc(C)ccc1F	82561259	573098759	/nfs/dbraw/zinc/09/87/59/573098759.db2.gz	JMZKWHWQBUYPMM-VIFPVBQESA-N	0	0	194.249	3.363	10	0		AGAERN
Cc1ccc([C@H]2CC(=O)C2(C)C)s1	88177531	573098763	/nfs/dbraw/zinc/09/87/63/573098763.db2.gz	WWTMLTFUAWJDLZ-MRVPVSSYSA-N	0	0	194.299	3.139	10	0		AGAERN
CC[C@@]1(C)C(=O)C[C@H]1c1cccs1	88177972	573098859	/nfs/dbraw/zinc/09/88/59/573098859.db2.gz	KMEVOJHBWNQCRH-GZMMTYOYSA-N	0	0	194.299	3.221	10	0		AGAERN
Cc1ccsc1[C@H]1CC(=O)C1(C)C	88177555	573098909	/nfs/dbraw/zinc/09/89/09/573098909.db2.gz	MRUUNMWXTJANKN-MRVPVSSYSA-N	0	0	194.299	3.139	10	0		AGAERN
CC[C@H](C)C(=O)c1ccc(F)cc1C	82561335	573098966	/nfs/dbraw/zinc/09/89/66/573098966.db2.gz	BQHYZQCFZOGGPY-QMMMGPOBSA-N	0	0	194.249	3.363	10	0		AGAERN
CC[C@H]1C(=O)C[C@@H]1c1sccc1C	88177838	573098982	/nfs/dbraw/zinc/09/89/82/573098982.db2.gz	ICWYFWFRHAJFJT-BDAKNGLRSA-N	0	0	194.299	3.139	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1cccc(Cl)c1	82561475	573099001	/nfs/dbraw/zinc/09/90/01/573099001.db2.gz	OACYQLNHVIUKQL-GZMMTYOYSA-N	0	0	198.693	3.420	10	0		AGAERN
Cc1ccsc1[C@@H]1CC(=O)C1(C)C	88177554	573099106	/nfs/dbraw/zinc/09/91/06/573099106.db2.gz	MRUUNMWXTJANKN-QMMMGPOBSA-N	0	0	194.299	3.139	10	0		AGAERN
CC[C@H](C)[C@H](O)c1cccc(C)c1C	82561541	573099120	/nfs/dbraw/zinc/09/91/20/573099120.db2.gz	ZYXBCAJZFHZOLD-ZANVPECISA-N	0	0	192.302	3.383	10	0		AGAERN
CCc1ccc(F)c(CSC)c1	238276388	573099122	/nfs/dbraw/zinc/09/91/22/573099122.db2.gz	OVDNKFAVHUJZGA-UHFFFAOYSA-N	0	0	184.279	3.251	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1cc(C)cc(C)c1	82561482	573099129	/nfs/dbraw/zinc/09/91/29/573099129.db2.gz	OZTGYELZUXCAIZ-DGCLKSJQSA-N	0	0	192.302	3.383	10	0		AGAERN
C[C@H]1C(=O)C[C@H]1c1ccccc1Cl	88177226	573099168	/nfs/dbraw/zinc/09/91/68/573099168.db2.gz	TXLXLJDGFPJQQM-VXNVDRBHSA-N	0	0	194.661	3.033	10	0		AGAERN
CC[C@@H](C)C(=O)c1cc(F)ccc1C	82561332	573099208	/nfs/dbraw/zinc/09/92/08/573099208.db2.gz	FTXHABILEPYKQH-MRVPVSSYSA-N	0	0	194.249	3.363	10	0		AGAERN
CC[C@H](C)c1nc(C)c([C@H](C)O)s1	82562761	573099215	/nfs/dbraw/zinc/09/92/15/573099215.db2.gz	KOBICWKSFJAKSW-XPUUQOCRSA-N	0	0	199.319	3.018	10	0		AGAERN
CC[C@@]1(C)C(=O)C[C@@H]1c1cccs1	88177974	573099222	/nfs/dbraw/zinc/09/92/22/573099222.db2.gz	KMEVOJHBWNQCRH-LDYMZIIASA-N	0	0	194.299	3.221	10	0		AGAERN
C[C@H]1C(=O)C[C@H]1c1cccc(Cl)c1	88177242	573099229	/nfs/dbraw/zinc/09/92/29/573099229.db2.gz	SBPQNRPDOJSBDD-GMSGAONNSA-N	0	0	194.661	3.033	10	0		AGAERN
CC[C@@H](C)C(=O)c1ccc(F)cc1C	82561334	573099245	/nfs/dbraw/zinc/09/92/45/573099245.db2.gz	BQHYZQCFZOGGPY-MRVPVSSYSA-N	0	0	194.249	3.363	10	0		AGAERN
CC[C@@H]1C(=O)C[C@H]1c1sccc1C	88177837	573099251	/nfs/dbraw/zinc/09/92/51/573099251.db2.gz	ICWYFWFRHAJFJT-DTWKUNHWSA-N	0	0	194.299	3.139	10	0		AGAERN
CC[C@@H]1Nc2ccc(C)cc2C[C@@H]1C	238278267	573099416	/nfs/dbraw/zinc/09/94/16/573099416.db2.gz	OYWTVFLAGBNTJC-JQWIXIFHSA-N	0	0	189.302	3.378	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1ccccc1Cl	82561656	573099272	/nfs/dbraw/zinc/09/92/72/573099272.db2.gz	KBJASEISUWAWEI-KCJUWKMLSA-N	0	0	198.693	3.420	10	0		AGAERN
C[C@@H]1C(=O)C[C@H]1c1cccc(Cl)c1	88177243	573099281	/nfs/dbraw/zinc/09/92/81/573099281.db2.gz	SBPQNRPDOJSBDD-OIBJUYFYSA-N	0	0	194.661	3.033	10	0		AGAERN
CC[C@@H](C)C(=O)C1CCCCC1	82561308	573099284	/nfs/dbraw/zinc/09/92/84/573099284.db2.gz	GGJPQFKWRUHDKT-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCc1ccc([C@@H]2CC(=O)[C@H]2C)s1	88177208	573099298	/nfs/dbraw/zinc/09/92/98/573099298.db2.gz	AUTKTAPQQCXPKV-IONNQARKSA-N	0	0	194.299	3.003	10	0		AGAERN
CC[C@H](O)CC/C=C\c1cccs1	224996897	573099325	/nfs/dbraw/zinc/09/93/25/573099325.db2.gz	PCXNWFPPFUMUKE-VAWSOJLPSA-N	0	0	196.315	3.312	10	0		AGAERN
C[C@H](O)[C@H]1CCCC[C@@H]1C(C)(C)C	85658185	573099328	/nfs/dbraw/zinc/09/93/28/573099328.db2.gz	DNBOXGQIEAICKU-AXFHLTTASA-N	0	0	184.323	3.220	10	0		AGAERN
CCC1(CC)C(=O)C[C@H]1C(C)(C)C	88178168	573099349	/nfs/dbraw/zinc/09/93/49/573099349.db2.gz	PKBDQZQVADYBLI-VIFPVBQESA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1cccc(C)c1C	82561542	573099370	/nfs/dbraw/zinc/09/93/70/573099370.db2.gz	ZYXBCAJZFHZOLD-NOZJJQNGSA-N	0	0	192.302	3.383	10	0		AGAERN
CC[C@H](C)c1cc(C)c(CO)c(C)c1	238278549	573099396	/nfs/dbraw/zinc/09/93/96/573099396.db2.gz	UECKNMHHCYUYKC-VIFPVBQESA-N	0	0	192.302	3.309	10	0		AGAERN
CC[C@]1(C)C(=O)C[C@H]1c1ccsc1	88178157	573099520	/nfs/dbraw/zinc/09/95/20/573099520.db2.gz	LRVDDKCYTPLOAS-ONGXEEELSA-N	0	0	194.299	3.221	10	0		AGAERN
CC[C@H]1C(=O)C[C@@H]1c1ccc(C)s1	88177790	573099508	/nfs/dbraw/zinc/09/95/08/573099508.db2.gz	MRSXXOHHHNGGNV-BDAKNGLRSA-N	0	0	194.299	3.139	10	0		AGAERN
CC[C@@H]1Nc2ccccc2CC1(C)C	238278546	573099553	/nfs/dbraw/zinc/09/95/53/573099553.db2.gz	CBIYTFAGWXYVBC-LBPRGKRZSA-N	0	0	189.302	3.459	10	0		AGAERN
C[C@@H]1C(=O)C[C@H]1c1ccc(Cl)cc1	88177235	573099589	/nfs/dbraw/zinc/09/95/89/573099589.db2.gz	ZNWONWRHCLHILY-OIBJUYFYSA-N	0	0	194.661	3.033	10	0		AGAERN
CC[C@@H]1Nc2ccc(C)cc2C[C@H]1C	238278281	573099615	/nfs/dbraw/zinc/09/96/15/573099615.db2.gz	OYWTVFLAGBNTJC-PWSUYJOCSA-N	0	0	189.302	3.378	10	0		AGAERN
CC[C@H](C)[C@H](O)c1ccccc1Cl	82561657	573099628	/nfs/dbraw/zinc/09/96/28/573099628.db2.gz	KBJASEISUWAWEI-KWQFWETISA-N	0	0	198.693	3.420	10	0		AGAERN
CC[C@]1(C)C(=O)C[C@H]1c1ccccc1	88177917	573099657	/nfs/dbraw/zinc/09/96/57/573099657.db2.gz	NFDORNCZCLNPNY-AAEUAGOBSA-N	0	0	188.270	3.159	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1cc(C)cc(C)c1	82561483	573099672	/nfs/dbraw/zinc/09/96/72/573099672.db2.gz	OZTGYELZUXCAIZ-WCQYABFASA-N	0	0	192.302	3.383	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1ccc(F)cc1C	82561716	573099749	/nfs/dbraw/zinc/09/97/49/573099749.db2.gz	AAMYFLLAABCAMA-PELKAZGASA-N	0	0	196.265	3.214	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1cccc(Cl)c1	82561474	573099769	/nfs/dbraw/zinc/09/97/69/573099769.db2.gz	OACYQLNHVIUKQL-LDYMZIIASA-N	0	0	198.693	3.420	10	0		AGAERN
CC[C@H]1CC(=O)C[C@H](C(C)C)C1	238278450	573099832	/nfs/dbraw/zinc/09/98/32/573099832.db2.gz	ZHKVVPLNTHOVOA-NXEZZACHSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1cc(F)cc2ccsc12	114628974	573099905	/nfs/dbraw/zinc/09/99/05/573099905.db2.gz	QHLGJJQQDMIANP-UHFFFAOYSA-N	0	0	166.220	3.349	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1cc(C)cc(C)c1	82561480	573099912	/nfs/dbraw/zinc/09/99/12/573099912.db2.gz	OZTGYELZUXCAIZ-YPMHNXCESA-N	0	0	192.302	3.383	10	0		AGAERN
CC[C@@H]1C(=O)C[C@@H]1c1cccc(C)c1	88177679	573099918	/nfs/dbraw/zinc/09/99/18/573099918.db2.gz	MCGUFFSTCIDSHP-NWDGAFQWSA-N	0	0	188.270	3.078	10	0		AGAERN
CC[C@@H](C)c1nc(C)c([C@H](C)O)s1	82562760	573099972	/nfs/dbraw/zinc/09/99/72/573099972.db2.gz	KOBICWKSFJAKSW-SVRRBLITSA-N	0	0	199.319	3.018	10	0		AGAERN
CC[C@]1(C)C(=O)C[C@@H]1C(C)(C)C	88177947	573100019	/nfs/dbraw/zinc/10/00/19/573100019.db2.gz	ISQWEWYLJMCLAL-KCJUWKMLSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@H](c1ccc(Cl)cc1)[C@H](C)O	85658629	573100046	/nfs/dbraw/zinc/10/00/46/573100046.db2.gz	ZCEWOMZUMOVWBI-KWQFWETISA-N	0	0	198.693	3.214	10	0		AGAERN
CC[C@H](C)[C@H](O)c1ccccc1C	82561497	573100054	/nfs/dbraw/zinc/10/00/54/573100054.db2.gz	SZTVDGUTIXCGIG-CABZTGNLSA-N	0	0	178.275	3.075	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1ccccc1C	82561499	573100073	/nfs/dbraw/zinc/10/00/73/573100073.db2.gz	SZTVDGUTIXCGIG-JOYOIKCWSA-N	0	0	178.275	3.075	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1cc(F)ccc1C	82561682	573100447	/nfs/dbraw/zinc/10/04/47/573100447.db2.gz	QCHWZSMHLQHORV-PRHODGIISA-N	0	0	196.265	3.214	10	0		AGAERN
CC[C@@H](c1cccc(Cl)c1)[C@@H](C)O	85658631	573100170	/nfs/dbraw/zinc/10/01/70/573100170.db2.gz	LNOOEAKTCFWQAC-LDYMZIIASA-N	0	0	198.693	3.214	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1cc(C)ccc1F	82561596	573100218	/nfs/dbraw/zinc/10/02/18/573100218.db2.gz	QFVZGIFNGGZOHN-SKDRFNHKSA-N	0	0	196.265	3.214	10	0		AGAERN
CC[C@@H]1C(=O)C[C@@H]1c1ccc(C)s1	88177791	573100224	/nfs/dbraw/zinc/10/02/24/573100224.db2.gz	MRSXXOHHHNGGNV-IUCAKERBSA-N	0	0	194.299	3.139	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1cccc(Cl)c1	82561472	573100234	/nfs/dbraw/zinc/10/02/34/573100234.db2.gz	OACYQLNHVIUKQL-KCJUWKMLSA-N	0	0	198.693	3.420	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1ccccc1Cl	82561659	573100277	/nfs/dbraw/zinc/10/02/77/573100277.db2.gz	KBJASEISUWAWEI-GZMMTYOYSA-N	0	0	198.693	3.420	10	0		AGAERN
CCC1(CC)C(=O)C[C@@H]1C(C)(C)C	88178169	573100280	/nfs/dbraw/zinc/10/02/80/573100280.db2.gz	PKBDQZQVADYBLI-SECBINFHSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)c1ccc([C@H](C)[C@H](C)O)cc1	85658241	573100295	/nfs/dbraw/zinc/10/02/95/573100295.db2.gz	UZUYSULGXGNJMW-MNOVXSKESA-N	0	0	192.302	3.294	10	0		AGAERN
CC[C@H](C)[C@H](O)c1ccc(F)c(C)c1	82561553	573100321	/nfs/dbraw/zinc/10/03/21/573100321.db2.gz	VVDKMSVWQOHGAU-UFBFGSQYSA-N	0	0	196.265	3.214	10	0		AGAERN
CC[C@H](C)C(=O)c1cccc(C)c1	82561311	573100363	/nfs/dbraw/zinc/10/03/63/573100363.db2.gz	UOGKJMSXURFVSW-JTQLQIEISA-N	0	0	176.259	3.224	10	0		AGAERN
CC[C@@H]1C(=O)C[C@H]1c1ccc(C)s1	88177789	573100375	/nfs/dbraw/zinc/10/03/75/573100375.db2.gz	MRSXXOHHHNGGNV-DTWKUNHWSA-N	0	0	194.299	3.139	10	0		AGAERN
CC[C@H](C)c1cc(C)cc(C)c1CO	238278626	573100378	/nfs/dbraw/zinc/10/03/78/573100378.db2.gz	JYFVRKPNWFTKDP-JTQLQIEISA-N	0	0	192.302	3.309	10	0		AGAERN
CC[C@H]1C(=O)C[C@@H]1c1ccc(C)cc1	88177654	573100395	/nfs/dbraw/zinc/10/03/95/573100395.db2.gz	ORRSGMXUNVBZJT-VXGBXAGGSA-N	0	0	188.270	3.078	10	0		AGAERN
CC[C@@H]1C[C@@H](C)c2c(N)cccc21	238279266	573100400	/nfs/dbraw/zinc/10/04/00/573100400.db2.gz	IYKOILPRWKXKSB-RKDXNWHRSA-N	0	0	175.275	3.270	10	0		AGAERN
C[C@H]1C(=O)C[C@@H]1c1cccc(Cl)c1	88177244	573100407	/nfs/dbraw/zinc/10/04/07/573100407.db2.gz	SBPQNRPDOJSBDD-XCBNKYQSSA-N	0	0	194.661	3.033	10	0		AGAERN
CC[C@@]1(C)C(=O)C[C@H]1c1ccccc1	88177916	573100912	/nfs/dbraw/zinc/10/09/12/573100912.db2.gz	NFDORNCZCLNPNY-WCQYABFASA-N	0	0	188.270	3.159	10	0		AGAERN
CC[C@@H](c1cccc(Cl)c1)[C@H](C)O	85658634	573100916	/nfs/dbraw/zinc/10/09/16/573100916.db2.gz	LNOOEAKTCFWQAC-GZMMTYOYSA-N	0	0	198.693	3.214	10	0		AGAERN
CC[C@H](C)c1cc(O)c(C)c(O)c1C	238279133	573100918	/nfs/dbraw/zinc/10/09/18/573100918.db2.gz	NHFPYUQTGILZAP-ZETCQYMHSA-N	0	0	194.274	3.228	10	0		AGAERN
C[C@@H]1C(=O)C[C@H]1c1ccccc1Cl	88177227	573100919	/nfs/dbraw/zinc/10/09/19/573100919.db2.gz	TXLXLJDGFPJQQM-IONNQARKSA-N	0	0	194.661	3.033	10	0		AGAERN
CC(C)[C@H]1CC[C@@H](C)C[C@H]1[C@@H](C)O	85658167	573100957	/nfs/dbraw/zinc/10/09/57/573100957.db2.gz	IRZHCQPTRXBMPW-KKOKHZNYSA-N	0	0	184.323	3.076	10	0		AGAERN
O=C(CC1CCCCC1)c1ccc[nH]1	82564067	573100970	/nfs/dbraw/zinc/10/09/70/573100970.db2.gz	RRKNHIZXTCAKMT-UHFFFAOYSA-N	0	0	191.274	3.168	10	0		AGAERN
CC[C@@]1(C)C(=O)C[C@H]1c1ccsc1	88178156	573101028	/nfs/dbraw/zinc/10/10/28/573101028.db2.gz	LRVDDKCYTPLOAS-GXSJLCMTSA-N	0	0	194.299	3.221	10	0		AGAERN
CC[C@H](C)[C@H](O)c1cc(C)ccc1F	82561597	573101670	/nfs/dbraw/zinc/10/16/70/573101670.db2.gz	QFVZGIFNGGZOHN-CABZTGNLSA-N	0	0	196.265	3.214	10	0		AGAERN
CC[C@@H](C)C(=O)c1cc(C)ccc1F	82561258	573101093	/nfs/dbraw/zinc/10/10/93/573101093.db2.gz	JMZKWHWQBUYPMM-SECBINFHSA-N	0	0	194.249	3.363	10	0		AGAERN
CC[C@@H]1C(=O)C[C@H]1c1cccc(C)c1	88177677	573101155	/nfs/dbraw/zinc/10/11/55/573101155.db2.gz	MCGUFFSTCIDSHP-RYUDHWBXSA-N	0	0	188.270	3.078	10	0		AGAERN
C[C@H]1C(=O)C[C@@H]1c1ccccc1Cl	88177228	573101175	/nfs/dbraw/zinc/10/11/75/573101175.db2.gz	TXLXLJDGFPJQQM-APPZFPTMSA-N	0	0	194.661	3.033	10	0		AGAERN
CC[C@H](C)c1cc(CO)ccc1C	238278933	573101230	/nfs/dbraw/zinc/10/12/30/573101230.db2.gz	CNXUCKGFBQCIOR-VIFPVBQESA-N	0	0	178.275	3.001	10	0		AGAERN
CC[C@@H]1Nc2c(C)cccc2C[C@H]1C	238277980	573101260	/nfs/dbraw/zinc/10/12/60/573101260.db2.gz	YWFPYGKVEAKFOV-PWSUYJOCSA-N	0	0	189.302	3.378	10	0		AGAERN
CC[C@H](C)C(=O)C1CCCCC1	82561309	573101282	/nfs/dbraw/zinc/10/12/82/573101282.db2.gz	GGJPQFKWRUHDKT-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@H](C)C(=O)c1cccc(F)c1	82561345	573101403	/nfs/dbraw/zinc/10/14/03/573101403.db2.gz	HQMPCOQEJKAHRL-QMMMGPOBSA-N	0	0	180.222	3.055	10	0		AGAERN
CC[C@@H](C)C(=O)c1ccccc1F	82561312	573101424	/nfs/dbraw/zinc/10/14/24/573101424.db2.gz	CNXAMVHSXYUKKO-MRVPVSSYSA-N	0	0	180.222	3.055	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1ccc(F)cc1C	82561719	573101475	/nfs/dbraw/zinc/10/14/75/573101475.db2.gz	AAMYFLLAABCAMA-QPUJVOFHSA-N	0	0	196.265	3.214	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1ccc(F)c(C)c1	82561554	573101483	/nfs/dbraw/zinc/10/14/83/573101483.db2.gz	VVDKMSVWQOHGAU-PRHODGIISA-N	0	0	196.265	3.214	10	0		AGAERN
CCC(CC)[C@H](O)CC1(C)CCC1	308257657	573101667	/nfs/dbraw/zinc/10/16/67/573101667.db2.gz	KPRHWINOALJOOQ-LLVKDONJSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H]1Nc2ccc(C)cc2[C@H]1C	238278315	573101616	/nfs/dbraw/zinc/10/16/16/573101616.db2.gz	XQRBNLZAIKEZOD-KOLCDFICSA-N	0	0	175.275	3.303	10	0		AGAERN
CC[C@H](C)c1cc(OC)cc(O)c1C	238279301	573101720	/nfs/dbraw/zinc/10/17/20/573101720.db2.gz	YELYOPYXTXKRGF-QMMMGPOBSA-N	0	0	194.274	3.223	10	0		AGAERN
CC[C@H](C)c1nc(C)c([C@@H](C)O)s1	82562759	573101740	/nfs/dbraw/zinc/10/17/40/573101740.db2.gz	KOBICWKSFJAKSW-POYBYMJQSA-N	0	0	199.319	3.018	10	0		AGAERN
CC(=O)[C@H]1CCC[C@@H](C(C)C)CC1	85662258	573101916	/nfs/dbraw/zinc/10/19/16/573101916.db2.gz	TUPSPSKLRDLPTE-NEPJUHHUSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC1(CC)C(=O)[C@@H]2CCCC[C@H]21	88183648	573102042	/nfs/dbraw/zinc/10/20/42/573102042.db2.gz	PUGCCRBINDCREG-NXEZZACHSA-N	0	0	180.291	3.182	10	0		AGAERN
C=C=C1Cc2ccccc2N[C@H]1CC	238278589	573102043	/nfs/dbraw/zinc/10/20/43/573102043.db2.gz	CXOHGQBOTRYZMK-LBPRGKRZSA-N	0	0	185.270	3.145	10	0		AGAERN
CC[C@@H]1Nc2ccc(C)cc2[C@@H]1C	238278300	573102065	/nfs/dbraw/zinc/10/20/65/573102065.db2.gz	XQRBNLZAIKEZOD-ONGXEEELSA-N	0	0	175.275	3.303	10	0		AGAERN
CCC1(CC)[C@H](C(C)(C)C)C[C@H]1O	88179614	573102090	/nfs/dbraw/zinc/10/20/90/573102090.db2.gz	IXCCYBRLNLKAOV-VHSXEESVSA-N	0	0	184.323	3.220	10	0		AGAERN
CCc1ccc(O)c([C@@H](C)CC)c1	238278854	573102129	/nfs/dbraw/zinc/10/21/29/573102129.db2.gz	RZGULWXTZDCHNB-VIFPVBQESA-N	0	0	178.275	3.468	10	0		AGAERN
C[C@@H]1C(=O)C(C)(C)[C@H]1c1cccs1	88183342	573102227	/nfs/dbraw/zinc/10/22/27/573102227.db2.gz	VIFKFAHXMJFOBD-IONNQARKSA-N	0	0	194.299	3.077	10	0		AGAERN
CC[C@H](C(C)=O)c1cccc(Cl)c1	85662215	573102383	/nfs/dbraw/zinc/10/23/83/573102383.db2.gz	DKUUNENZLDNSKV-LLVKDONJSA-N	0	0	196.677	3.423	10	0		AGAERN
CC(C)[C@@H]1C(=O)C[C@H]1c1ccccc1	88183012	573102407	/nfs/dbraw/zinc/10/24/07/573102407.db2.gz	HSAPCNDRMNLMSW-AAEUAGOBSA-N	0	0	188.270	3.015	10	0		AGAERN
C[C@@H]1C(=O)C(C)(C)[C@@H]1c1cccs1	88183349	573102414	/nfs/dbraw/zinc/10/24/14/573102414.db2.gz	VIFKFAHXMJFOBD-CBAPKCEASA-N	0	0	194.299	3.077	10	0		AGAERN
CC1(C)C(=O)[C@H]2CCCCCC[C@@H]21	88183460	573102443	/nfs/dbraw/zinc/10/24/43/573102443.db2.gz	TXLOIJWYZLEDAJ-UWVGGRQHSA-N	0	0	180.291	3.182	10	0		AGAERN
O[C@H](c1ccc[nH]1)C1CCCCCC1	82564410	573102510	/nfs/dbraw/zinc/10/25/10/573102510.db2.gz	PUIZTPZNEURICY-LBPRGKRZSA-N	0	0	193.290	3.019	10	0		AGAERN
C[C@@H]1C(=O)C(C)(C)[C@@H]1c1ccccc1	88183445	573102528	/nfs/dbraw/zinc/10/25/28/573102528.db2.gz	NJNHMKNJTJPWHE-ONGXEEELSA-N	0	0	188.270	3.015	10	0		AGAERN
CC[C@H]1CCC[C@H](C(C)=O)CC1	85662178	573102561	/nfs/dbraw/zinc/10/25/61/573102561.db2.gz	AVTITHQODAEUIU-QWRGUYRKSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H]1Nc2ccccc2C=C1C	238278501	573102653	/nfs/dbraw/zinc/10/26/53/573102653.db2.gz	ZKCYYOIGIIKQMM-NSHDSACASA-N	0	0	173.259	3.294	10	0		AGAERN
CCC(CC)[C@@H](O)CC1(C)CCC1	308257659	573102689	/nfs/dbraw/zinc/10/26/89/573102689.db2.gz	KPRHWINOALJOOQ-NSHDSACASA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1cc(C)c([C@H](C)[C@@H](C)O)c(C)c1	85658880	573102740	/nfs/dbraw/zinc/10/27/40/573102740.db2.gz	YURDMYPCIQMEIR-VXGBXAGGSA-N	0	0	192.302	3.096	10	0		AGAERN
CCC[C@@H]1CCC[C@H]([C@@H](C)O)CC1	85658836	573102843	/nfs/dbraw/zinc/10/28/43/573102843.db2.gz	HNKQNYNIHLHCKZ-UTUOFQBUSA-N	0	0	184.323	3.364	10	0		AGAERN
CCc1ccc(O)cc1[C@@H](C)CC	238279249	573102871	/nfs/dbraw/zinc/10/28/71/573102871.db2.gz	KYFBHFUCTPWJTO-VIFPVBQESA-N	0	0	178.275	3.468	10	0		AGAERN
CC(=O)[C@H]1CCC[C@H](C(C)C)CC1	85662260	573102900	/nfs/dbraw/zinc/10/29/00/573102900.db2.gz	TUPSPSKLRDLPTE-RYUDHWBXSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(CC)CCC[C@@H](O)CC	128687807	573102945	/nfs/dbraw/zinc/10/29/45/573102945.db2.gz	NJTXZRPPKJHEFH-NSHDSACASA-N	0	0	172.312	3.364	10	0		AGAERN
CC1(C)C(=O)[C@@H]2CCCCCC[C@@H]21	88183464	573102925	/nfs/dbraw/zinc/10/29/25/573102925.db2.gz	TXLOIJWYZLEDAJ-ZJUUUORDSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@H](C)c1cc(C)ccc1CO	238278777	573103518	/nfs/dbraw/zinc/10/35/18/573103518.db2.gz	QEHZLYNJNATMOS-JTQLQIEISA-N	0	0	178.275	3.001	10	0		AGAERN
CC(C)C(NOC1CCCC1)C(C)C	308495686	573103571	/nfs/dbraw/zinc/10/35/71/573103571.db2.gz	STOKZKZRDZLYDM-UHFFFAOYSA-N	0	0	199.338	3.131	10	0		AGAERN
CC(C)[C@@H]1CCC[C@H]([C@@H](C)O)CC1	85658703	573103579	/nfs/dbraw/zinc/10/35/79/573103579.db2.gz	BBIMXOYVEBPQTA-UTUOFQBUSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@]1(C)[C@@H](O)C[C@@H]1c1ccsc1	88179383	573103694	/nfs/dbraw/zinc/10/36/94/573103694.db2.gz	XNECNAWQEWDDIW-VWYCJHECSA-N	0	0	196.315	3.013	10	0		AGAERN
CC(C)[C@H]1C(=O)C[C@H]1c1ccccc1	88183011	573103642	/nfs/dbraw/zinc/10/36/42/573103642.db2.gz	HSAPCNDRMNLMSW-WCQYABFASA-N	0	0	188.270	3.015	10	0		AGAERN
CC(=O)[C@@H]1CCC[C@H](C(C)C)CC1	85662266	573103696	/nfs/dbraw/zinc/10/36/96/573103696.db2.gz	TUPSPSKLRDLPTE-NWDGAFQWSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC1(CC)[C@@H](O)C[C@H]1C(C)(C)C	88179612	573103677	/nfs/dbraw/zinc/10/36/77/573103677.db2.gz	IXCCYBRLNLKAOV-UWVGGRQHSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1cc(C)c([C@@H](C)[C@@H](C)O)c(C)c1	85658878	573103680	/nfs/dbraw/zinc/10/36/80/573103680.db2.gz	YURDMYPCIQMEIR-NWDGAFQWSA-N	0	0	192.302	3.096	10	0		AGAERN
O[C@H](CC1CCCCC1)c1cc[nH]c1	82564777	573103844	/nfs/dbraw/zinc/10/38/44/573103844.db2.gz	FGXNDUMZAZJYGO-GFCCVEGCSA-N	0	0	193.290	3.019	10	0		AGAERN
CC(=O)[C@@H]1CCC[C@@H](C(C)C)CC1	85662262	573103943	/nfs/dbraw/zinc/10/39/43/573103943.db2.gz	TUPSPSKLRDLPTE-VXGBXAGGSA-N	0	0	182.307	3.428	10	0		AGAERN
CCSC(=S)c1[nH]c(C)cc1C	238278818	573104002	/nfs/dbraw/zinc/10/40/02/573104002.db2.gz	HCFWZSXGYRSPDX-UHFFFAOYSA-N	0	0	199.344	3.060	10	0		AGAERN
C[C@H]1C(=O)C(C)(C)[C@@H]1c1cccs1	88183347	573104056	/nfs/dbraw/zinc/10/40/56/573104056.db2.gz	VIFKFAHXMJFOBD-APPZFPTMSA-N	0	0	194.299	3.077	10	0		AGAERN
O[C@H](c1cc[nH]c1)C1CCCCCC1	82564702	573104081	/nfs/dbraw/zinc/10/40/81/573104081.db2.gz	HVNCPSSQPPXTFZ-LBPRGKRZSA-N	0	0	193.290	3.019	10	0		AGAERN
CCCc1cc(O)cc2c1CCCC2	238278117	573104103	/nfs/dbraw/zinc/10/41/03/573104103.db2.gz	JDBUTNUHYAJBTM-UHFFFAOYSA-N	0	0	190.286	3.224	10	0		AGAERN
C[C@H]1C(=O)C(C)(C)[C@H]1c1cccs1	88183339	573104135	/nfs/dbraw/zinc/10/41/35/573104135.db2.gz	VIFKFAHXMJFOBD-VXNVDRBHSA-N	0	0	194.299	3.077	10	0		AGAERN
Cc1cc(C=O)c2cc(C)ccc2c1	114641149	573104226	/nfs/dbraw/zinc/10/42/26/573104226.db2.gz	VJKNMCBANRXGHQ-UHFFFAOYSA-N	0	0	184.238	3.269	10	0		AGAERN
O=C(c1cc[nH]c1)C1CCCCCC1	82564185	573104462	/nfs/dbraw/zinc/10/44/62/573104462.db2.gz	VQPVDKLDBBUZNP-UHFFFAOYSA-N	0	0	191.274	3.168	10	0		AGAERN
CC(C)C[C@H](C)[C@H](O)[C@H]1CCC[C@H]1C	393657539	573104579	/nfs/dbraw/zinc/10/45/79/573104579.db2.gz	MMIWUOAZHBKCKE-VOAKCMCISA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)c1c[nH]cc1C(C)C	114664691	573104639	/nfs/dbraw/zinc/10/46/39/573104639.db2.gz	NXLXNMNRWFAYEF-UHFFFAOYSA-N	0	0	151.253	3.262	10	0		AGAERN
O[C@@H](c1cc[nH]c1)C1CCCCCC1	82564701	573104701	/nfs/dbraw/zinc/10/47/01/573104701.db2.gz	HVNCPSSQPPXTFZ-GFCCVEGCSA-N	0	0	193.290	3.019	10	0		AGAERN
CC1(C)C(=O)[C@H]2CCCCCC[C@H]21	88183458	573105611	/nfs/dbraw/zinc/10/56/11/573105611.db2.gz	TXLOIJWYZLEDAJ-VHSXEESVSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1cc(C)c([C@H](C)[C@H](C)O)c(C)c1	85658884	573104739	/nfs/dbraw/zinc/10/47/39/573104739.db2.gz	YURDMYPCIQMEIR-NEPJUHHUSA-N	0	0	192.302	3.096	10	0		AGAERN
CC(C)[C@H]1C(=O)C[C@@H]1c1ccccc1	88183013	573104830	/nfs/dbraw/zinc/10/48/30/573104830.db2.gz	HSAPCNDRMNLMSW-DGCLKSJQSA-N	0	0	188.270	3.015	10	0		AGAERN
CC(C)C[C@H](C)[C@H](O)[C@@H]1CCC[C@@H]1C	393657537	573104876	/nfs/dbraw/zinc/10/48/76/573104876.db2.gz	MMIWUOAZHBKCKE-RVMXOQNASA-N	0	0	198.350	3.466	10	0		AGAERN
O[C@@H](CC1CCCCC1)c1cc[nH]c1	82564778	573104880	/nfs/dbraw/zinc/10/48/80/573104880.db2.gz	FGXNDUMZAZJYGO-LBPRGKRZSA-N	0	0	193.290	3.019	10	0		AGAERN
C[C@H]1C(=O)C(C)(C)[C@@H]1c1ccccc1	88183443	573104927	/nfs/dbraw/zinc/10/49/27/573104927.db2.gz	NJNHMKNJTJPWHE-KOLCDFICSA-N	0	0	188.270	3.015	10	0		AGAERN
Nc1cccc(C2CCCCC2)c1O	114658634	573105082	/nfs/dbraw/zinc/10/50/82/573105082.db2.gz	DNPOLUPUVYEOKQ-UHFFFAOYSA-N	0	0	191.274	3.022	10	0		AGAERN
CC1(C)C(=O)[C@@H]2CCCCCC[C@H]21	88183461	573105096	/nfs/dbraw/zinc/10/50/96/573105096.db2.gz	TXLOIJWYZLEDAJ-NXEZZACHSA-N	0	0	180.291	3.182	10	0		AGAERN
CC(C)C[C@@H](c1ccccc1)[C@@H](C)O	85658899	573105303	/nfs/dbraw/zinc/10/53/03/573105303.db2.gz	DSRFPUDMAANWFD-DGCLKSJQSA-N	0	0	192.302	3.197	10	0		AGAERN
CCC1(CC)[C@@H](O)C[C@@H]1C(C)(C)C	88179613	573105336	/nfs/dbraw/zinc/10/53/36/573105336.db2.gz	IXCCYBRLNLKAOV-ZJUUUORDSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1nc(-c2ccc(Cl)s2)c[nH]1	143959155	573105361	/nfs/dbraw/zinc/10/53/61/573105361.db2.gz	LVVOKZGKRNWVOG-UHFFFAOYSA-N	0	0	198.678	3.100	10	0		AGAERN
O[C@H](CC1CCCCC1)c1ccc[nH]1	82564469	573105642	/nfs/dbraw/zinc/10/56/42/573105642.db2.gz	PMKHDWIMZMDGKK-GFCCVEGCSA-N	0	0	193.290	3.019	10	0		AGAERN
CCC1(CC)C(=O)[C@H]2CCCC[C@@H]21	88183646	573105437	/nfs/dbraw/zinc/10/54/37/573105437.db2.gz	PUGCCRBINDCREG-UWVGGRQHSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1ccc(C)c(-c2c[nH]c(C=O)c2)c1	259329019	573105483	/nfs/dbraw/zinc/10/54/83/573105483.db2.gz	XBRXQDDGYGEBJR-UHFFFAOYSA-N	0	0	199.253	3.111	10	0		AGAERN
O=Cc1ccc(C2=CCCC2)cc1	114675929	573105550	/nfs/dbraw/zinc/10/55/50/573105550.db2.gz	FHLALRPMKHSNMY-UHFFFAOYSA-N	0	0	172.227	3.066	10	0		AGAERN
CCC(CC)CCC[C@H](O)CC	128687564	573105559	/nfs/dbraw/zinc/10/55/59/573105559.db2.gz	NJTXZRPPKJHEFH-LLVKDONJSA-N	0	0	172.312	3.364	10	0		AGAERN
Cc1cc2c3c(c1)cc(C)n3CCC2	259329254	573105581	/nfs/dbraw/zinc/10/55/81/573105581.db2.gz	HJRWTQMANAKNGJ-UHFFFAOYSA-N	0	0	185.270	3.204	10	0		AGAERN
C[C@@H]1C(=O)C(C)(C)[C@H]1c1ccccc1	88183440	573106143	/nfs/dbraw/zinc/10/61/43/573106143.db2.gz	NJNHMKNJTJPWHE-GXSJLCMTSA-N	0	0	188.270	3.015	10	0		AGAERN
CC[C@]1(C)C(=O)[C@H]2CCCCC[C@@H]21	88183492	573106171	/nfs/dbraw/zinc/10/61/71/573106171.db2.gz	RLVTUBMLAPTPKJ-NHCYSSNCSA-N	0	0	180.291	3.182	10	0		AGAERN
O[C@@H](c1ccc[nH]1)C1CCCCCC1	82564409	573106181	/nfs/dbraw/zinc/10/61/81/573106181.db2.gz	PUIZTPZNEURICY-GFCCVEGCSA-N	0	0	193.290	3.019	10	0		AGAERN
Cc1cc(Cl)cc2occc12	114666208	573106268	/nfs/dbraw/zinc/10/62/68/573106268.db2.gz	DTRHGTROWDAORL-UHFFFAOYSA-N	0	0	166.607	3.395	10	0		AGAERN
O=C(CC1CCCCC1)c1cc[nH]c1	82564205	573106358	/nfs/dbraw/zinc/10/63/58/573106358.db2.gz	OIFPDAGNZIFEDU-UHFFFAOYSA-N	0	0	191.274	3.168	10	0		AGAERN
CC(=O)[C@@H]1CCCC(C)(C)CC1	85662530	573106557	/nfs/dbraw/zinc/10/65/57/573106557.db2.gz	MVVGSBGDKTVPHB-SNVBAGLBSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC(CC)C[C@@H](C)C[C@@H](C)O	128694676	573106570	/nfs/dbraw/zinc/10/65/70/573106570.db2.gz	OOGGFCIDUFFWCT-VHSXEESVSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC(CC)C[C@H](C)C[C@@H](C)O	128694902	573106593	/nfs/dbraw/zinc/10/65/93/573106593.db2.gz	OOGGFCIDUFFWCT-NXEZZACHSA-N	0	0	172.312	3.220	10	0		AGAERN
FC(F)(F)c1cc(Cl)cs1	114664364	573107043	/nfs/dbraw/zinc/10/70/43/573107043.db2.gz	OTXHUBIZVUTVIY-UHFFFAOYSA-N	0	0	186.585	3.420	10	0		AGAERN
CC[C@@H](O)[C@H]1CC(=C(C)C)CC=C1C	238279985	573107117	/nfs/dbraw/zinc/10/71/17/573107117.db2.gz	WLJXKKRTDGIXPQ-QWHCGFSZSA-N	0	0	194.318	3.450	10	0		AGAERN
CCC(CC)CC1=C[C@H](O)CCC1	128700813	573107178	/nfs/dbraw/zinc/10/71/78/573107178.db2.gz	CTCWXHFEHWOMGX-GFCCVEGCSA-N	0	0	182.307	3.284	10	0		AGAERN
Cc1c[nH]c(-c2coc3ccccc23)n1	128707510	573107190	/nfs/dbraw/zinc/10/71/90/573107190.db2.gz	IAZAXJGNNALJKX-UHFFFAOYSA-N	0	0	198.225	3.131	10	0		AGAERN
CCC(CC)CCC[C@H](O)C1CC1	128690102	573107496	/nfs/dbraw/zinc/10/74/96/573107496.db2.gz	MDRPNLOVUXAXHQ-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(=O)[C@H]1CCCC[C@H]1C(C)(C)C	85662374	573107553	/nfs/dbraw/zinc/10/75/53/573107553.db2.gz	GRDYSARKVBLGBE-GHMZBOCLSA-N	0	0	182.307	3.428	10	0		AGAERN
CCc1cc(F)ccc1Cl	141983587	573107619	/nfs/dbraw/zinc/10/76/19/573107619.db2.gz	BHLCJFGJDKMYKL-UHFFFAOYSA-N	0	0	158.603	3.042	10	0		AGAERN
CC[C@H]1C(=O)c2ccccc2[C@@H]1C	238279882	573107741	/nfs/dbraw/zinc/10/77/41/573107741.db2.gz	UJJJWBBSJVFXFO-RKDXNWHRSA-N	0	0	174.243	3.013	10	0		AGAERN
CCC(CC)C[C@@H]1CC[C@H](O)[C@@H]1C	128698548	573107979	/nfs/dbraw/zinc/10/79/79/573107979.db2.gz	QLMWTASXPVASLA-USWWRNFRSA-N	0	0	184.323	3.220	10	0		AGAERN
CCc1cccc(C(=O)C(C)(C)C)c1	114715076	573108081	/nfs/dbraw/zinc/10/80/81/573108081.db2.gz	PPVIHGKVJFPWNO-UHFFFAOYSA-N	0	0	190.286	3.478	10	0		AGAERN
CC(C)C[C@H](C)[C@H](O)[C@H]1CCC[C@@H]1C	393657532	573108195	/nfs/dbraw/zinc/10/81/95/573108195.db2.gz	MMIWUOAZHBKCKE-CYDGBPFRSA-N	0	0	198.350	3.466	10	0		AGAERN
CC[C@@H]1C[C@@H](CC)[C@@H](C)CC1=O	238279467	573108211	/nfs/dbraw/zinc/10/82/11/573108211.db2.gz	KECQUKIITAOEIT-IVZWLZJFSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)[C@@H]1CCCC[C@H]1C(C)(C)C	85662372	573108233	/nfs/dbraw/zinc/10/82/33/573108233.db2.gz	GRDYSARKVBLGBE-WDEREUQCSA-N	0	0	182.307	3.428	10	0		AGAERN
CC1=C2CCC(=O)C[C@@H](C)[C@@H]2CC1	143969842	573108328	/nfs/dbraw/zinc/10/83/28/573108328.db2.gz	DPMQAKQELFQTTE-SKDRFNHKSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(=O)[C@H]1CCCC(C)(C)CC1	85662531	573108393	/nfs/dbraw/zinc/10/83/93/573108393.db2.gz	MVVGSBGDKTVPHB-JTQLQIEISA-N	0	0	168.280	3.182	10	0		AGAERN
CCCc1ccc(C(C)=O)cc1C	238279454	573108576	/nfs/dbraw/zinc/10/85/76/573108576.db2.gz	RVCGBSCPFIEVNR-UHFFFAOYSA-N	0	0	176.259	3.150	10	0		AGAERN
C/C=C/COc1cc(C)ccc1C	88190310	573108604	/nfs/dbraw/zinc/10/86/04/573108604.db2.gz	PPHCMYKPYVQEBL-SNAWJCMRSA-N	0	0	176.259	3.258	10	0		AGAERN
CCO[C@H](C)c1c[nH]c2ccccc12	238284946	573109003	/nfs/dbraw/zinc/10/90/03/573109003.db2.gz	KZOWDIKCDPVZLF-SECBINFHSA-N	0	0	189.258	3.265	10	0		AGAERN
CC(=O)[C@H](C)c1c(C)cc(C)cc1C	85662523	573109030	/nfs/dbraw/zinc/10/90/30/573109030.db2.gz	JQDRHKYGERYEBU-NSHDSACASA-N	0	0	190.286	3.304	10	0		AGAERN
CC[C@H]1C(=O)[C@H](C)C1(CC)CC	238284974	573109372	/nfs/dbraw/zinc/10/93/72/573109372.db2.gz	FQNRLTDNSAWYKF-IUCAKERBSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(C)(C)c1ccc(C=O)s1	114698296	573109639	/nfs/dbraw/zinc/10/96/39/573109639.db2.gz	CVAXMCVCYVMLIK-UHFFFAOYSA-N	0	0	182.288	3.248	10	0		AGAERN
CC[C@@H](O)[C@H]1CCC(C)=CC1(C)C	238280215	573109663	/nfs/dbraw/zinc/10/96/63/573109663.db2.gz	NIRNIAPBUQPCDY-GHMZBOCLSA-N	0	0	182.307	3.140	10	0		AGAERN
CC(=O)[C@H]1CCCC[C@@H]1C(C)(C)C	85662370	573109689	/nfs/dbraw/zinc/10/96/89/573109689.db2.gz	GRDYSARKVBLGBE-MNOVXSKESA-N	0	0	182.307	3.428	10	0		AGAERN
CC1=C2CCC(=O)C[C@H](C)[C@@H]2CC1	143970040	573109963	/nfs/dbraw/zinc/10/99/63/573109963.db2.gz	DPMQAKQELFQTTE-CABZTGNLSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@@H](C(C)=O)c1ccc(Cl)cc1	85662448	573110057	/nfs/dbraw/zinc/11/00/57/573110057.db2.gz	BIUGEKKLLFNNGD-NSHDSACASA-N	0	0	196.677	3.423	10	0		AGAERN
CC(C)C/C(=C/C1CCCC1)[N+](=O)[O-]	211650223	573110173	/nfs/dbraw/zinc/11/01/73/573110173.db2.gz	WBZRFUYWGYQGTQ-FLIBITNWSA-N	0	0	197.278	3.383	10	0		AGAERN
CC(=O)[C@@H]1CCCC[C@@H]1C(C)(C)C	85662368	573110193	/nfs/dbraw/zinc/11/01/93/573110193.db2.gz	GRDYSARKVBLGBE-QWRGUYRKSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H](C(C)=O)c1ccc(C)cc1	85662351	573110201	/nfs/dbraw/zinc/11/02/01/573110201.db2.gz	IUDFBINWWFMTCQ-LBPRGKRZSA-N	0	0	176.259	3.078	10	0		AGAERN
CCC(CC)CC1=C[C@@H](O)CCC1	128701061	573110706	/nfs/dbraw/zinc/11/07/06/573110706.db2.gz	CTCWXHFEHWOMGX-LBPRGKRZSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(=O)[C@@H]1CCCCc2ccccc21	85662433	573110957	/nfs/dbraw/zinc/11/09/57/573110957.db2.gz	BDQMBKJTSZGBJO-LBPRGKRZSA-N	0	0	188.270	3.086	10	0		AGAERN
CC[C@@]1(C(C)C)Cc2ccccc2N1	238286524	573111477	/nfs/dbraw/zinc/11/14/77/573111477.db2.gz	YBHKBHDVHDQFMF-ZDUSSCGKSA-N	0	0	189.302	3.459	10	0		AGAERN
CCc1ccc(OC)c2ccsc12	238286185	573111611	/nfs/dbraw/zinc/11/16/11/573111611.db2.gz	BLDQMYMHLOVYGB-UHFFFAOYSA-N	0	0	192.283	3.472	10	0		AGAERN
CC(=O)[C@@H](CC1(C)CCC1)C(C)C	308262954	573111675	/nfs/dbraw/zinc/11/16/75/573111675.db2.gz	NQSWQIXIQTZEFC-NSHDSACASA-N	0	0	182.307	3.428	10	0		AGAERN
COCSC[C@@H](C)c1ccccc1	308496086	573111732	/nfs/dbraw/zinc/11/17/32/573111732.db2.gz	UAKKHUYAFHTWPN-SNVBAGLBSA-N	0	0	196.315	3.127	10	0		AGAERN
CC[C@H](C(C)=O)c1ccc(Cl)cc1	85662447	573111774	/nfs/dbraw/zinc/11/17/74/573111774.db2.gz	BIUGEKKLLFNNGD-LLVKDONJSA-N	0	0	196.677	3.423	10	0		AGAERN
CC(=O)[C@@H](C)c1c(C)cc(C)cc1C	85662525	573111851	/nfs/dbraw/zinc/11/18/51/573111851.db2.gz	JQDRHKYGERYEBU-LLVKDONJSA-N	0	0	190.286	3.304	10	0		AGAERN
CCC(CC)C[C@@H](C)C[C@H](C)O	128695105	573112314	/nfs/dbraw/zinc/11/23/14/573112314.db2.gz	OOGGFCIDUFFWCT-UWVGGRQHSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@H](C(C)=O)c1ccc(C)cc1	85662349	573112780	/nfs/dbraw/zinc/11/27/80/573112780.db2.gz	IUDFBINWWFMTCQ-GFCCVEGCSA-N	0	0	176.259	3.078	10	0		AGAERN
CCCc1cccc(C(C)=O)c1C	238285993	573113231	/nfs/dbraw/zinc/11/32/31/573113231.db2.gz	QJGPVSNPCXPDAV-UHFFFAOYSA-N	0	0	176.259	3.150	10	0		AGAERN
CC[C@@](C)(C(C)=O)C(C)(C)C	238286868	573113249	/nfs/dbraw/zinc/11/32/49/573113249.db2.gz	OWSDABSGRVSNLK-JTQLQIEISA-N	0	0	156.269	3.038	10	0		AGAERN
CC1=C2CCC(=O)C[C@@H](C)[C@H]2CC1	143970247	573113994	/nfs/dbraw/zinc/11/39/94/573113994.db2.gz	DPMQAKQELFQTTE-BXKDBHETSA-N	0	0	178.275	3.102	10	0		AGAERN
O=Cc1ccc2ccn(C3CCC3)c2c1	257944397	573114326	/nfs/dbraw/zinc/11/43/26/573114326.db2.gz	RFOYOJVJJODGIN-UHFFFAOYSA-N	0	0	199.253	3.179	10	0		AGAERN
CCc1cnc(NCCC(C)C)s1	308262080	573114362	/nfs/dbraw/zinc/11/43/62/573114362.db2.gz	NBZBJOLYYVSDFE-UHFFFAOYSA-N	0	0	198.335	3.164	10	0		AGAERN
CCC1(CCC(=O)C2CC2)CCC1	308262095	573114412	/nfs/dbraw/zinc/11/44/12/573114412.db2.gz	NCSWQJAUXJLINE-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
CCCc1cccc2c1NCCCC2	238286978	573114521	/nfs/dbraw/zinc/11/45/21/573114521.db2.gz	IEMJJAGEFPTQLB-UHFFFAOYSA-N	0	0	189.302	3.387	10	0		AGAERN
CSCc1c[nH]c2cccc(F)c12	258529850	573114522	/nfs/dbraw/zinc/11/45/22/573114522.db2.gz	HAJIYNRTSFEFFO-UHFFFAOYSA-N	0	0	195.262	3.170	10	0		AGAERN
Cc1cc2c(C)ccc(C)c2[nH]1	82587569	573115580	/nfs/dbraw/zinc/11/55/80/573115580.db2.gz	PKSKXQWSLSKVEB-UHFFFAOYSA-N	0	0	159.232	3.093	10	0		AGAERN
CCc1c(C)[nH]c2cc(F)cc(F)c12	238288375	573115775	/nfs/dbraw/zinc/11/57/75/573115775.db2.gz	BECXDDPLUBSCAP-UHFFFAOYSA-N	0	0	195.212	3.317	10	0		AGAERN
CCc1c(C)[nH]c2ccc(C)c(O)c12	238288513	573115783	/nfs/dbraw/zinc/11/57/83/573115783.db2.gz	JXBICKFGDNKJDL-UHFFFAOYSA-N	0	0	189.258	3.053	10	0		AGAERN
CCc1c(C)[nH]c2cc(F)c(F)cc12	238288346	573115789	/nfs/dbraw/zinc/11/57/89/573115789.db2.gz	MAKMANRZCQKJFV-UHFFFAOYSA-N	0	0	195.212	3.317	10	0		AGAERN
O=Cc1cc2ccccc2n1C1CCC1	257944484	573115794	/nfs/dbraw/zinc/11/57/94/573115794.db2.gz	RGEWLNNSAMMMDG-UHFFFAOYSA-N	0	0	199.253	3.179	10	0		AGAERN
CCc1c(C)[nH]c2c(F)c(F)ccc12	238287863	573116111	/nfs/dbraw/zinc/11/61/11/573116111.db2.gz	SRYYGFLHNSUIHK-UHFFFAOYSA-N	0	0	195.212	3.317	10	0		AGAERN
C/C=C(\C)CC(O)C/C(C)=C/C	225143599	573116150	/nfs/dbraw/zinc/11/61/50/573116150.db2.gz	SRVBRJOCVURIBB-NXZHAISVSA-N	0	0	168.280	3.060	10	0		AGAERN
CCc1c(C)[nH]c2c(C)c(O)ccc12	238287324	573116208	/nfs/dbraw/zinc/11/62/08/573116208.db2.gz	KEQSAOKALIRGCS-UHFFFAOYSA-N	0	0	189.258	3.053	10	0		AGAERN
CC[C@@H]1c2ccccc2NC[C@H]1C	238287032	573116312	/nfs/dbraw/zinc/11/63/12/573116312.db2.gz	BQDUXYUVBNPAMP-ZJUUUORDSA-N	0	0	175.275	3.242	10	0		AGAERN
CC[C@H]1CC(C)C[C@H](CC)C1=O	238288440	573116707	/nfs/dbraw/zinc/11/67/07/573116707.db2.gz	KRKFQJKPIDPLMH-UWVGGRQHSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(C)(CC)c1cccc(O)c1	144022842	573116858	/nfs/dbraw/zinc/11/68/58/573116858.db2.gz	MRSVBGZPCYVBSN-UHFFFAOYSA-N	0	0	178.275	3.470	10	0		AGAERN
c1cc(-c2ccc3occc3c2)c[nH]1	143976452	573117357	/nfs/dbraw/zinc/11/73/57/573117357.db2.gz	POVQGUKALQINGX-UHFFFAOYSA-N	0	0	183.210	3.428	10	0		AGAERN
CCc1c(C)[nH]c2c(C)ccc(O)c12	238287789	573117471	/nfs/dbraw/zinc/11/74/71/573117471.db2.gz	BBYQYAOSPQDEHH-UHFFFAOYSA-N	0	0	189.258	3.053	10	0		AGAERN
CCc1c(C)[nH]c2c(O)cc(C)cc12	238288066	573117528	/nfs/dbraw/zinc/11/75/28/573117528.db2.gz	BIYQVAMIVHBYED-UHFFFAOYSA-N	0	0	189.258	3.053	10	0		AGAERN
CCc1c(C)[nH]c2c(O)c(C)ccc12	238288048	573118042	/nfs/dbraw/zinc/11/80/42/573118042.db2.gz	MAMBEHDPPQPQRH-UHFFFAOYSA-N	0	0	189.258	3.053	10	0		AGAERN
CCc1ccc2c(c1)SCCC2	238287802	573118294	/nfs/dbraw/zinc/11/82/94/573118294.db2.gz	QSNTYODDOHISJX-UHFFFAOYSA-N	0	0	178.300	3.287	10	0		AGAERN
CCc1c(C)[nH]c2cc(F)c(C)cc12	238288330	573118354	/nfs/dbraw/zinc/11/83/54/573118354.db2.gz	DZMMMIHPNNUVKC-UHFFFAOYSA-N	0	0	191.249	3.486	10	0		AGAERN
CCc1c(C)[nH]c2c(F)c(C)ccc12	238287847	573118551	/nfs/dbraw/zinc/11/85/51/573118551.db2.gz	IBVNEZAMUPDADN-UHFFFAOYSA-N	0	0	191.249	3.486	10	0		AGAERN
CCc1c(C)[nH]c2cc(OC)ccc12	238288451	573118805	/nfs/dbraw/zinc/11/88/05/573118805.db2.gz	UTZGYHHJLLUIFU-UHFFFAOYSA-N	0	0	189.258	3.047	10	0		AGAERN
CC[C@@]1(C)C=C2CCCC[C@H]2C1=O	238288145	573118843	/nfs/dbraw/zinc/11/88/43/573118843.db2.gz	CYGPYHIGWFJETO-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
CCCC/C=C\CCCCCC(N)=O	308266780	573118941	/nfs/dbraw/zinc/11/89/41/573118941.db2.gz	IGKKBCWYAOLBHW-WAYWQWQTSA-N	0	0	197.322	3.169	10	0		AGAERN
COc1ccc([C@@H]2CCCS2)cc1	144003937	573119076	/nfs/dbraw/zinc/11/90/76/573119076.db2.gz	XWNHWKVMWOVNLQ-NSHDSACASA-N	0	0	194.299	3.263	10	0		AGAERN
CCc1c(C)[nH]c2cc(F)ccc12	238288387	573119320	/nfs/dbraw/zinc/11/93/20/573119320.db2.gz	QDSZAMGJTDKXSU-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
CCc1c(C)[nH]c2c(O)ccc(C)c12	238288091	573119368	/nfs/dbraw/zinc/11/93/68/573119368.db2.gz	CMYJGDQQFJNCRJ-UHFFFAOYSA-N	0	0	189.258	3.053	10	0		AGAERN
CCc1c(C)[nH]c2ccc(NC)cc12	238288566	573119373	/nfs/dbraw/zinc/11/93/73/573119373.db2.gz	SAJQMNRTFLPNBG-UHFFFAOYSA-N	0	0	188.274	3.080	10	0		AGAERN
CCC(CC)c1ccc(CNO)cc1	257947825	573119470	/nfs/dbraw/zinc/11/94/70/573119470.db2.gz	AQNVPCCZXOATCM-UHFFFAOYSA-N	0	0	193.290	3.069	10	0		AGAERN
CC[C@@]1(C)C=C2CCCC[C@@H]2C1=O	238288135	573119544	/nfs/dbraw/zinc/11/95/44/573119544.db2.gz	CYGPYHIGWFJETO-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
CCc1c(C)[nH]c2c(C)ccc(F)c12	238287772	573119748	/nfs/dbraw/zinc/11/97/48/573119748.db2.gz	AWQWOXBZNJHTJG-UHFFFAOYSA-N	0	0	191.249	3.486	10	0		AGAERN
CCCSc1ccnc(Cl)c1	82605713	573119762	/nfs/dbraw/zinc/11/97/62/573119762.db2.gz	UDPHQSINPMPNCO-UHFFFAOYSA-N	0	0	187.695	3.237	10	0		AGAERN
CC1(C)C([C@H](O)C2=CCCC2)C1(C)C	85710503	573119855	/nfs/dbraw/zinc/11/98/55/573119855.db2.gz	WATNBRRFZPWHAR-SNVBAGLBSA-N	0	0	194.318	3.140	10	0		AGAERN
CCC(C)(C)Oc1ccnc(Cl)c1	82605455	573120015	/nfs/dbraw/zinc/12/00/15/573120015.db2.gz	HUMBWVJOUBXMFK-UHFFFAOYSA-N	0	0	199.681	3.302	10	0		AGAERN
CC(=O)Cc1cc(C(C)C)ccc1F	257947752	573120101	/nfs/dbraw/zinc/12/01/01/573120101.db2.gz	AOXXLKDSRLQNOD-UHFFFAOYSA-N	0	0	194.249	3.081	10	0		AGAERN
CCc1c(C)[nH]c2c(F)cc(C)cc12	238287904	573120144	/nfs/dbraw/zinc/12/01/44/573120144.db2.gz	ZSGSCQWOUWWKQI-UHFFFAOYSA-N	0	0	191.249	3.486	10	0		AGAERN
CCc1c(C)[nH]c2ccc(O)c(C)c12	238288581	573120225	/nfs/dbraw/zinc/12/02/25/573120225.db2.gz	SSFNCAIQXYPQNJ-UHFFFAOYSA-N	0	0	189.258	3.053	10	0		AGAERN
CCc1c(C)[nH]c2c(F)ccc(F)c12	238287980	573120233	/nfs/dbraw/zinc/12/02/33/573120233.db2.gz	OQRSGKQKFCWKRH-UHFFFAOYSA-N	0	0	195.212	3.317	10	0		AGAERN
Cc1csc2cccc(C=O)c12	257948029	573120254	/nfs/dbraw/zinc/12/02/54/573120254.db2.gz	DYNXBRZQKSRYME-UHFFFAOYSA-N	0	0	176.240	3.022	10	0		AGAERN
CC(C)Sc1ccnc(Cl)c1	82605781	573120797	/nfs/dbraw/zinc/12/07/97/573120797.db2.gz	KVFULCOLBKZREB-UHFFFAOYSA-N	0	0	187.695	3.236	10	0		AGAERN
CCC[C@@H]1CC(=O)CC[C@H](C)C1	238281175	573120860	/nfs/dbraw/zinc/12/08/60/573120860.db2.gz	QDZMLJXISWQVIZ-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
COc1ccc([C@H]2CCCS2)cc1	144004134	573121121	/nfs/dbraw/zinc/12/11/21/573121121.db2.gz	XWNHWKVMWOVNLQ-LLVKDONJSA-N	0	0	194.299	3.263	10	0		AGAERN
CC(C)(C)OC(=O)C1C(C)(C)C1(C)C	85710091	573121387	/nfs/dbraw/zinc/12/13/87/573121387.db2.gz	FFXHOFUEDYHPRC-UHFFFAOYSA-N	0	0	198.306	3.010	10	0		AGAERN
O=C1CCC[C@H]1CCc1cccs1	82602456	573122018	/nfs/dbraw/zinc/12/20/18/573122018.db2.gz	XNXIWVNOPVRRAQ-VIFPVBQESA-N	0	0	194.299	3.050	10	0		AGAERN
CC1(C)C([C@@H](O)C2=CCCC2)C1(C)C	85710506	573122758	/nfs/dbraw/zinc/12/27/58/573122758.db2.gz	WATNBRRFZPWHAR-JTQLQIEISA-N	0	0	194.318	3.140	10	0		AGAERN
CCCN1CCc2ccc(Cl)cc21	114819441	573122747	/nfs/dbraw/zinc/12/27/47/573122747.db2.gz	GPUFCXQLFOPMFJ-UHFFFAOYSA-N	0	0	195.693	3.113	10	0		AGAERN
COCc1cc2cccc(C)c2s1	257946781	573122805	/nfs/dbraw/zinc/12/28/05/573122805.db2.gz	WKMFUCMJLNWJRG-UHFFFAOYSA-N	0	0	192.283	3.356	10	0		AGAERN
Cc1ccc(Cl)c(OC(C)C)c1	144093915	573122965	/nfs/dbraw/zinc/12/29/65/573122965.db2.gz	UWDDSHXMLQUFFE-UHFFFAOYSA-N	0	0	184.666	3.436	10	0		AGAERN
CCCON[C@H](C)CC1CCCCC1	689792727	573123333	/nfs/dbraw/zinc/12/33/33/573123333.db2.gz	SDQVEGNERZNOMK-LLVKDONJSA-N	0	0	199.338	3.277	10	0		AGAERN
Cc1oc2cc([C@@H](C)O)ccc2c1C	257947722	573123342	/nfs/dbraw/zinc/12/33/42/573123342.db2.gz	AOJYXEBERBPPAF-MRVPVSSYSA-N	0	0	190.242	3.103	10	0		AGAERN
O=C1CCC[C@@H]1CCc1cccs1	82602457	573123459	/nfs/dbraw/zinc/12/34/59/573123459.db2.gz	XNXIWVNOPVRRAQ-SECBINFHSA-N	0	0	194.299	3.050	10	0		AGAERN
Cc1oc2cc([C@H](C)O)ccc2c1C	257947727	573123525	/nfs/dbraw/zinc/12/35/25/573123525.db2.gz	AOJYXEBERBPPAF-QMMMGPOBSA-N	0	0	190.242	3.103	10	0		AGAERN
Cc1ccc(-c2ncc(C)s2)cc1	114789501	573123547	/nfs/dbraw/zinc/12/35/47/573123547.db2.gz	RDVQEIKAIWJXGT-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
Cc1cc(Cl)cc(OC(F)F)c1	114808792	573123754	/nfs/dbraw/zinc/12/37/54/573123754.db2.gz	CKOPZFPSOFMITC-UHFFFAOYSA-N	0	0	192.592	3.250	10	0		AGAERN
C[C@@H]1CCC(C)(C)C1(C)C	88465972	573123764	/nfs/dbraw/zinc/12/37/64/573123764.db2.gz	FIHLRNNXEHDGIE-MRVPVSSYSA-N	0	0	140.270	3.469	10	0		AGAERN
C/C=C/C=C1/C(C)=CC[C@H](O)C1(C)C	198662400	573123879	/nfs/dbraw/zinc/12/38/79/573123879.db2.gz	MAEQUWJIZQMMOS-SEZUGVTOSA-N	0	0	192.302	3.226	10	0		AGAERN
CC[C@H](C)c1cccc(C(C)=O)c1O	238280801	573123900	/nfs/dbraw/zinc/12/39/00/573123900.db2.gz	XEORFZQZPWUKET-QMMMGPOBSA-N	0	0	192.258	3.108	10	0		AGAERN
CCCON[C@@H](C)CC1CCCCC1	689792730	573124539	/nfs/dbraw/zinc/12/45/39/573124539.db2.gz	SDQVEGNERZNOMK-NSHDSACASA-N	0	0	199.338	3.277	10	0		AGAERN
Cc1oc2ccc([C@@H](C)O)cc2c1C	257949533	573124939	/nfs/dbraw/zinc/12/49/39/573124939.db2.gz	ARXUQGQTXHATJS-MRVPVSSYSA-N	0	0	190.242	3.103	10	0		AGAERN
Cc1cc2ccccc2n1CC1CC1	82615136	573125090	/nfs/dbraw/zinc/12/50/90/573125090.db2.gz	FPTZMXZVFQFGTN-UHFFFAOYSA-N	0	0	185.270	3.360	10	0		AGAERN
CCc1c(C)[nH]c2cccc(F)c12	238288624	573125135	/nfs/dbraw/zinc/12/51/35/573125135.db2.gz	OTTMYFBFKNTYMK-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
CC=C(C)Nc1ccccc1	144091405	573125250	/nfs/dbraw/zinc/12/52/50/573125250.db2.gz	HKUAVFFHRNXLLF-OQFOIZHKSA-N	0	0	147.221	3.022	10	0		AGAERN
CCC(CC)C[C@@H](CO)C(C)C	128858125	573125376	/nfs/dbraw/zinc/12/53/76/573125376.db2.gz	DATYYFGRKYJHMB-NSHDSACASA-N	0	0	172.312	3.077	10	0		AGAERN
CCc1c(C)[nH]c2cccc(OC)c12	238288639	573125710	/nfs/dbraw/zinc/12/57/10/573125710.db2.gz	KZDQRJGFZGMBRO-UHFFFAOYSA-N	0	0	189.258	3.047	10	0		AGAERN
CC[C@H]1CC[C@H](Nc2nccs2)C1	85733511	573125912	/nfs/dbraw/zinc/12/59/12/573125912.db2.gz	RCVKEBFJVOVVDR-IUCAKERBSA-N	0	0	196.319	3.134	10	0		AGAERN
CC/C=C\[C@@H]1CO[C@@H](OCCCC)C1	225165234	573125943	/nfs/dbraw/zinc/12/59/43/573125943.db2.gz	NMDPHBSZZGGACF-ZADDAZQUSA-N	0	0	198.306	3.132	10	0		AGAERN
CC[C@H]1CC[C@@H](Nc2nccs2)C1	85733519	573126248	/nfs/dbraw/zinc/12/62/48/573126248.db2.gz	RCVKEBFJVOVVDR-DTWKUNHWSA-N	0	0	196.319	3.134	10	0		AGAERN
Cl/C=C/Cn1ccc2ccccc21	82615128	573126311	/nfs/dbraw/zinc/12/63/11/573126311.db2.gz	JKOMSZLQCYEPTG-XVNBXDOJSA-N	0	0	191.661	3.394	10	0		AGAERN
Cc1cccc(OC(F)(F)F)c1F	114809100	573126336	/nfs/dbraw/zinc/12/63/36/573126336.db2.gz	BXOJAFONYZPGTB-UHFFFAOYSA-N	0	0	194.127	3.033	10	0		AGAERN
CC(C)Sc1ccccc1[C@@H](C)O	82616938	573126340	/nfs/dbraw/zinc/12/63/40/573126340.db2.gz	VNGXZHODMNKYLA-SECBINFHSA-N	0	0	196.315	3.240	10	0		AGAERN
Fc1ccc(-c2ncc(Cl)o2)cc1	258533104	573126529	/nfs/dbraw/zinc/12/65/29/573126529.db2.gz	MVQGPTVVLPOEKK-UHFFFAOYSA-N	0	0	197.596	3.134	10	0		AGAERN
Cc1cc(F)cc2nccc(Cl)c12	85731777	573126561	/nfs/dbraw/zinc/12/65/61/573126561.db2.gz	SQZBYNGWNBSCTP-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
CCCc1ccc(O)c2c1CCCC2	238282423	573126580	/nfs/dbraw/zinc/12/65/80/573126580.db2.gz	IFXPFXBRSPFGKY-UHFFFAOYSA-N	0	0	190.286	3.224	10	0		AGAERN
Cc1cc2ccccc2n1CC(F)F	82615145	573126731	/nfs/dbraw/zinc/12/67/31/573126731.db2.gz	ZOZDKCRNLXMHOZ-UHFFFAOYSA-N	0	0	195.212	3.215	10	0		AGAERN
CCC[C@H](CO)CC(CC)CC	128857263	573126974	/nfs/dbraw/zinc/12/69/74/573126974.db2.gz	YGFVOLDNCXTUSV-NSHDSACASA-N	0	0	172.312	3.221	10	0		AGAERN
CC[C@@]12CCCC=C1CCC(=O)C2	238282271	573127058	/nfs/dbraw/zinc/12/70/58/573127058.db2.gz	HZXQMZQYAFKSER-LBPRGKRZSA-N	0	0	178.275	3.246	10	0		AGAERN
CC[C@@H]1CC[C@H](Nc2nccs2)C1	85733507	573127063	/nfs/dbraw/zinc/12/70/63/573127063.db2.gz	RCVKEBFJVOVVDR-BDAKNGLRSA-N	0	0	196.319	3.134	10	0		AGAERN
Cc1cc(F)cc2nc(Cl)ccc12	85732639	573127154	/nfs/dbraw/zinc/12/71/54/573127154.db2.gz	VXSLFBCXIPROOZ-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
Cc1cccc(OC(F)F)c1Cl	114807639	573127156	/nfs/dbraw/zinc/12/71/56/573127156.db2.gz	WLSYKRPWDFQJSL-UHFFFAOYSA-N	0	0	192.592	3.250	10	0		AGAERN
CCc1cccc(NCCSC)c1	128859109	573127309	/nfs/dbraw/zinc/12/73/09/573127309.db2.gz	UUGLEEQCGFDCND-UHFFFAOYSA-N	0	0	195.331	3.024	10	0		AGAERN
CCc1ccc(Cn2cccc2)cc1	82615212	573127569	/nfs/dbraw/zinc/12/75/69/573127569.db2.gz	QDDBMWQEJJCUSF-UHFFFAOYSA-N	0	0	185.270	3.099	10	0		AGAERN
Cc1ccc(Cn2cccc2)cc1C	82615177	573127670	/nfs/dbraw/zinc/12/76/70/573127670.db2.gz	ZRBQXFGLTINJAC-UHFFFAOYSA-N	0	0	185.270	3.153	10	0		AGAERN
CC[C@@H]1c2ccc(O)cc2C[C@@H]1C	238282218	573127836	/nfs/dbraw/zinc/12/78/36/573127836.db2.gz	IGGHYQAUJVVDPI-KWQFWETISA-N	0	0	176.259	3.078	10	0		AGAERN
C/C=C/[C@]1(CC)CCCC(=O)C1	238281600	573128127	/nfs/dbraw/zinc/12/81/27/573128127.db2.gz	ZRYJHYJUTLZYFH-CGAJTASUSA-N	0	0	166.264	3.102	10	0		AGAERN
CCC[C@H]1[C@@H](O)[C@H](C(C)C)CC[C@H]1C	238282760	573128569	/nfs/dbraw/zinc/12/85/69/573128569.db2.gz	ICBWBYMCGDMSPB-XQHKEYJVSA-N	0	0	198.350	3.466	10	0		AGAERN
CCC[C@H]1c2c(O)cccc2C[C@@H]1C	238281607	573128744	/nfs/dbraw/zinc/12/87/44/573128744.db2.gz	RWFXOKWFRTZLHP-GXSJLCMTSA-N	0	0	190.286	3.468	10	0		AGAERN
Cc1cc(SC(C)C)ccc1C=O	82612764	573128834	/nfs/dbraw/zinc/12/88/34/573128834.db2.gz	AMRNGKMKSFNSMD-UHFFFAOYSA-N	0	0	194.299	3.308	10	0		AGAERN
Cc1oc2ccc([C@H](C)O)cc2c1C	257949534	573128916	/nfs/dbraw/zinc/12/89/16/573128916.db2.gz	ARXUQGQTXHATJS-QMMMGPOBSA-N	0	0	190.242	3.103	10	0		AGAERN
CCC(CC)C[C@](C)(CC)CO	128855645	573129059	/nfs/dbraw/zinc/12/90/59/573129059.db2.gz	RQQCHGNYJTWKES-NSHDSACASA-N	0	0	172.312	3.221	10	0		AGAERN
CC[C@@H](O)/C=C(/Cl)c1ccccc1	238282624	573129287	/nfs/dbraw/zinc/12/92/87/573129287.db2.gz	VHLQWFVSNDHQGM-MXBGMFSPSA-N	0	0	196.677	3.037	10	0		AGAERN
CCC(CC)C[C@H](CO)C(C)C	128858323	573129478	/nfs/dbraw/zinc/12/94/78/573129478.db2.gz	DATYYFGRKYJHMB-LLVKDONJSA-N	0	0	172.312	3.077	10	0		AGAERN
Cc1cc(C=O)ccc1SC(C)C	82612779	573129578	/nfs/dbraw/zinc/12/95/78/573129578.db2.gz	PVOHEXARYZHQGP-UHFFFAOYSA-N	0	0	194.299	3.308	10	0		AGAERN
Cc1cc2ccccc2n1C(F)F	82615138	573129685	/nfs/dbraw/zinc/12/96/85/573129685.db2.gz	NHWWLRDHGDQHOY-UHFFFAOYSA-N	0	0	181.185	3.345	10	0		AGAERN
CCc1ccc2c3c([nH]c2c1)CCC3	238282577	573129702	/nfs/dbraw/zinc/12/97/02/573129702.db2.gz	WDPRQUDFEVPPAL-UHFFFAOYSA-N	0	0	185.270	3.219	10	0		AGAERN
CC[C@@H]1c2ccccc2NC[C@@H]1C	238282041	573130059	/nfs/dbraw/zinc/13/00/59/573130059.db2.gz	BQDUXYUVBNPAMP-UWVGGRQHSA-N	0	0	175.275	3.242	10	0		AGAERN
CC(C)Sc1ccc(F)cc1C=O	82612770	573130190	/nfs/dbraw/zinc/13/01/90/573130190.db2.gz	XFQJSMMGEIFLPH-UHFFFAOYSA-N	0	0	198.262	3.139	10	0		AGAERN
CCC(CC)C[C@@H](CO)CC(C)C	128856545	573131237	/nfs/dbraw/zinc/13/12/37/573131237.db2.gz	ZVBZBOSJLVNJJX-LBPRGKRZSA-N	0	0	186.339	3.467	10	0		AGAERN
CC(C)Sc1ccccc1[C@H](C)O	82616939	573130231	/nfs/dbraw/zinc/13/02/31/573130231.db2.gz	VNGXZHODMNKYLA-VIFPVBQESA-N	0	0	196.315	3.240	10	0		AGAERN
CCc1ccccc1NCCSC	128858269	573130437	/nfs/dbraw/zinc/13/04/37/573130437.db2.gz	JDURTDNMMOKDMD-UHFFFAOYSA-N	0	0	195.331	3.024	10	0		AGAERN
CC[C@@]12CC(=O)CC[C@H]1CC=C2C	238281750	573130462	/nfs/dbraw/zinc/13/04/62/573130462.db2.gz	NFLRAJOSWLPLLE-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@@H](O)/C=C/c1cccc(Cl)c1	238283026	573130507	/nfs/dbraw/zinc/13/05/07/573130507.db2.gz	DVOPYUSGZVBSBW-XUIVZRPNSA-N	0	0	196.677	3.124	10	0		AGAERN
CC[C@H]1CC(=O)C[C@@H](C(C)C)C1	238281631	573130593	/nfs/dbraw/zinc/13/05/93/573130593.db2.gz	ZHKVVPLNTHOVOA-ZJUUUORDSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@](C)(Cl)CC(=O)C(C)C	238282015	573130743	/nfs/dbraw/zinc/13/07/43/573130743.db2.gz	FJXJNCZXOMMGBJ-VIFPVBQESA-N	0	0	176.687	3.009	10	0		AGAERN
CCC(CC)CC1(CO)CCCC1	128852203	573130750	/nfs/dbraw/zinc/13/07/50/573130750.db2.gz	HNDBNBMCXPAADY-UHFFFAOYSA-N	0	0	184.323	3.365	10	0		AGAERN
CCC(CC)C[C@H](CO)CC(C)C	128856308	573130845	/nfs/dbraw/zinc/13/08/45/573130845.db2.gz	ZVBZBOSJLVNJJX-GFCCVEGCSA-N	0	0	186.339	3.467	10	0		AGAERN
CC[C@@]12CCCCC1=CCC(=O)C2	238282333	573131038	/nfs/dbraw/zinc/13/10/38/573131038.db2.gz	LCLLLBNZCGZFCQ-LBPRGKRZSA-N	0	0	178.275	3.246	10	0		AGAERN
CCc1ccc(O)c(C(C)C)c1C	238282845	573131358	/nfs/dbraw/zinc/13/13/58/573131358.db2.gz	VKHSZDJORSNYAA-UHFFFAOYSA-N	0	0	178.275	3.386	10	0		AGAERN
CC(C)Sc1cccnc1Cl	141948237	573131418	/nfs/dbraw/zinc/13/14/18/573131418.db2.gz	DTAKFQCQVABRTO-UHFFFAOYSA-N	0	0	187.695	3.236	10	0		AGAERN
CC[C@H]1C(=O)c2ccccc2[C@H]1C	238281313	573131469	/nfs/dbraw/zinc/13/14/69/573131469.db2.gz	UJJJWBBSJVFXFO-DTWKUNHWSA-N	0	0	174.243	3.013	10	0		AGAERN
CCCCC1=Cc2ccccc2[C@@H]1O	141903111	573131564	/nfs/dbraw/zinc/13/15/64/573131564.db2.gz	PRBPKKNZAFPHJN-CYBMUJFWSA-N	0	0	188.270	3.307	10	0		AGAERN
CCC[C@@H]1C[C@@H](O)c2ccccc21	82618549	573131565	/nfs/dbraw/zinc/13/15/65/573131565.db2.gz	ZTVPCRXMHYUARD-BXKDBHETSA-N	0	0	176.259	3.007	10	0		AGAERN
CCCCC1=Cc2ccccc2[C@H]1O	141903310	573132229	/nfs/dbraw/zinc/13/22/29/573132229.db2.gz	PRBPKKNZAFPHJN-ZDUSSCGKSA-N	0	0	188.270	3.307	10	0		AGAERN
CCC[C@@H](CO)CC(CC)CC	128857479	573131881	/nfs/dbraw/zinc/13/18/81/573131881.db2.gz	YGFVOLDNCXTUSV-LLVKDONJSA-N	0	0	172.312	3.221	10	0		AGAERN
CCC(CC)C[C@@](C)(CC)CO	128855435	573131980	/nfs/dbraw/zinc/13/19/80/573131980.db2.gz	RQQCHGNYJTWKES-LLVKDONJSA-N	0	0	172.312	3.221	10	0		AGAERN
CC1(Cn2cccc2)CCCC1	82625736	573132058	/nfs/dbraw/zinc/13/20/58/573132058.db2.gz	PZPLYTZBWUODBF-UHFFFAOYSA-N	0	0	163.264	3.068	10	0		AGAERN
CC(C)C[C@@H]1C[C@@H](O)c2ccccc21	82618453	573132109	/nfs/dbraw/zinc/13/21/09/573132109.db2.gz	DJFMOIUYBYUEFK-ZWNOBZJWSA-N	0	0	190.286	3.253	10	0		AGAERN
CCC[C@H]1C[C@@H](O)c2ccccc21	82618550	573132201	/nfs/dbraw/zinc/13/22/01/573132201.db2.gz	ZTVPCRXMHYUARD-JOYOIKCWSA-N	0	0	176.259	3.007	10	0		AGAERN
CCC(F)(F)C(C)(C)C	259034804	573132223	/nfs/dbraw/zinc/13/22/23/573132223.db2.gz	RXMIVOJHNQNTPD-UHFFFAOYSA-N	0	0	136.185	3.078	10	0		AGAERN
CCCCCC(CCCCC)NO	131968418	573132239	/nfs/dbraw/zinc/13/22/39/573132239.db2.gz	WVGGQCRQRCDNDI-UHFFFAOYSA-N	0	0	187.327	3.494	10	0		AGAERN
CC(C)c1ccc2c(c1)[C@H](O)C[C@H]2C	82618477	573132684	/nfs/dbraw/zinc/13/26/84/573132684.db2.gz	VCYWQCBWVBXVBR-NOZJJQNGSA-N	0	0	190.286	3.351	10	0		AGAERN
CCCc1ccc(SC)cc1O	238284239	573132869	/nfs/dbraw/zinc/13/28/69/573132869.db2.gz	VALYSLZCPYKVCK-UHFFFAOYSA-N	0	0	182.288	3.067	10	0		AGAERN
CCc1ccc2c(c1)[C@H](O)C[C@@H]2CC	82618455	573133178	/nfs/dbraw/zinc/13/31/78/573133178.db2.gz	QOAOXYQKVHRARI-GXFFZTMASA-N	0	0	190.286	3.180	10	0		AGAERN
CC(C)c1ccc2c(c1)[C@@H](O)C[C@@H]2C	82618476	573133203	/nfs/dbraw/zinc/13/32/03/573133203.db2.gz	VCYWQCBWVBXVBR-ZANVPECISA-N	0	0	190.286	3.351	10	0		AGAERN
CCc1ccc2c(c1)[C@@H](O)C[C@H]2CC	82618458	573133310	/nfs/dbraw/zinc/13/33/10/573133310.db2.gz	QOAOXYQKVHRARI-MFKMUULPSA-N	0	0	190.286	3.180	10	0		AGAERN
C/C=C\CCNc1ccc(OC)cc1	308280473	573134129	/nfs/dbraw/zinc/13/41/29/573134129.db2.gz	YBSCXQALFFDXQD-ARJAWSKDSA-N	0	0	191.274	3.073	10	0		AGAERN
C/C=C/c1ccc([C@H](O)CC)cc1	238284379	573133635	/nfs/dbraw/zinc/13/36/35/573133635.db2.gz	BVXOHKUWKCFPFH-OGOUPESXSA-N	0	0	176.259	3.163	10	0		AGAERN
CC(C)C[C@@H]1C[C@H](O)c2ccccc21	82618451	573133672	/nfs/dbraw/zinc/13/36/72/573133672.db2.gz	DJFMOIUYBYUEFK-MFKMUULPSA-N	0	0	190.286	3.253	10	0		AGAERN
CC(C)C[C@H]1C[C@@H](O)c2ccccc21	82618454	573133923	/nfs/dbraw/zinc/13/39/23/573133923.db2.gz	DJFMOIUYBYUEFK-GXFFZTMASA-N	0	0	190.286	3.253	10	0		AGAERN
CCCCCNc1c(C)ccnc1C	308502340	573133977	/nfs/dbraw/zinc/13/39/77/573133977.db2.gz	XDKQBSWDLSGFIK-UHFFFAOYSA-N	0	0	192.306	3.301	10	0		AGAERN
CCc1ccc2c(c1)[C@H](O)C[C@H]2CC	82618457	573134003	/nfs/dbraw/zinc/13/40/03/573134003.db2.gz	QOAOXYQKVHRARI-ZWNOBZJWSA-N	0	0	190.286	3.180	10	0		AGAERN
CCc1ccc2c(c1)[C@@H](O)C[C@@H]2CC	82618456	573134071	/nfs/dbraw/zinc/13/40/71/573134071.db2.gz	QOAOXYQKVHRARI-GWCFXTLKSA-N	0	0	190.286	3.180	10	0		AGAERN
CCCCc1ccc([C@@H](C)NO)cc1	131981413	573134157	/nfs/dbraw/zinc/13/41/57/573134157.db2.gz	GDNFFQIQCCGDMF-SNVBAGLBSA-N	0	0	193.290	3.069	10	0		AGAERN
CCC[C@H]1C[C@H](O)c2ccccc21	82618548	573134619	/nfs/dbraw/zinc/13/46/19/573134619.db2.gz	ZTVPCRXMHYUARD-CABZTGNLSA-N	0	0	176.259	3.007	10	0		AGAERN
CC[C@@H](O)c1c(C)cccc1Cl	238283277	573134692	/nfs/dbraw/zinc/13/46/92/573134692.db2.gz	JWCJIILTEBJKDH-SECBINFHSA-N	0	0	184.666	3.092	10	0		AGAERN
CCC[C@@H]1C[C@H](O)c2ccccc21	82618547	573134799	/nfs/dbraw/zinc/13/47/99/573134799.db2.gz	ZTVPCRXMHYUARD-SKDRFNHKSA-N	0	0	176.259	3.007	10	0		AGAERN
Oc1ccc(Cl)c2ccsc12	114830565	573134806	/nfs/dbraw/zinc/13/48/06/573134806.db2.gz	VQKQFJHNXWVOLO-UHFFFAOYSA-N	0	0	184.647	3.260	10	0		AGAERN
CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]2C	82618475	573134816	/nfs/dbraw/zinc/13/48/16/573134816.db2.gz	VCYWQCBWVBXVBR-RNCFNFMXSA-N	0	0	190.286	3.351	10	0		AGAERN
Cc1ccc(C(C)C)cc1[C@H](C)CO	257951757	573135309	/nfs/dbraw/zinc/13/53/09/573135309.db2.gz	BAUFZJRINRJVCV-LLVKDONJSA-N	0	0	192.302	3.214	10	0		AGAERN
CC/C=C\C/C=C/Br	218743757	573135430	/nfs/dbraw/zinc/13/54/30/573135430.db2.gz	MDDBMSOWKXNKLF-WWVFNRLHSA-N	0	0	175.069	3.251	10	0		AGAERN
CC(C)C[C@H]1C[C@H](O)c2ccccc21	82618452	573135460	/nfs/dbraw/zinc/13/54/60/573135460.db2.gz	DJFMOIUYBYUEFK-GWCFXTLKSA-N	0	0	190.286	3.253	10	0		AGAERN
Cc1cc2ccccc2c(C)c1O	141920385	573135539	/nfs/dbraw/zinc/13/55/39/573135539.db2.gz	XQFNYYJKCBOXHX-UHFFFAOYSA-N	0	0	172.227	3.162	10	0		AGAERN
CCc1ccc(O)c2ccsc12	238284263	573135348	/nfs/dbraw/zinc/13/53/48/573135348.db2.gz	IDXGUNNBPBNJAE-UHFFFAOYSA-N	0	0	178.256	3.169	10	0		AGAERN
CC[C@H](C)c1sc(NC)nc1C	238283769	573135837	/nfs/dbraw/zinc/13/58/37/573135837.db2.gz	OKXFTUACOPRXHO-LURJTMIESA-N	0	0	184.308	3.007	10	0		AGAERN
CCCc1ccc(SC)c(O)c1	238283964	573135902	/nfs/dbraw/zinc/13/59/02/573135902.db2.gz	UDNZVCZJWSZHEE-UHFFFAOYSA-N	0	0	182.288	3.067	10	0		AGAERN
C/C=C/CCCCC/C=C\CCO	218862100	573136006	/nfs/dbraw/zinc/13/60/06/573136006.db2.gz	GIKGMWZUNSMVBI-ZKAKZSDCSA-N	0	0	182.307	3.452	10	0		AGAERN
CCCc1ccc(C2(O)CCC2)cc1	85754303	573136118	/nfs/dbraw/zinc/13/61/18/573136118.db2.gz	IDCQOERXRWEZOP-UHFFFAOYSA-N	0	0	190.286	3.011	10	0		AGAERN
CCc1ccc(O)c2oc(C)c(C)c12	238284287	573136339	/nfs/dbraw/zinc/13/63/39/573136339.db2.gz	NOKFNYWULFJEOA-UHFFFAOYSA-N	0	0	190.242	3.318	10	0		AGAERN
Fc1ccc2c(ccn2C(F)F)c1	82644013	573136475	/nfs/dbraw/zinc/13/64/75/573136475.db2.gz	RNRNTPFTSUBBEK-UHFFFAOYSA-N	0	0	185.148	3.176	10	0		AGAERN
C/C=C/Cn1ccc2cc(F)ccc21	82644012	573136645	/nfs/dbraw/zinc/13/66/45/573136645.db2.gz	DLTCADNJYBKAKK-NSCUHMNNSA-N	0	0	189.233	3.357	10	0		AGAERN
CCc1ccc(O)c2c(C)c(C)oc12	238284159	573136672	/nfs/dbraw/zinc/13/66/72/573136672.db2.gz	VVHVVGZWXORBHK-UHFFFAOYSA-N	0	0	190.242	3.318	10	0		AGAERN
CC[C@H]1C(=O)CCC2=C1CCCC2	238283896	573136778	/nfs/dbraw/zinc/13/67/78/573136778.db2.gz	CEDFOVNGNNBFHN-SNVBAGLBSA-N	0	0	178.275	3.246	10	0		AGAERN
C=C/C=C/[C@H](O)c1ccc(Cl)cc1	141962502	573137376	/nfs/dbraw/zinc/13/73/76/573137376.db2.gz	SYHMJAIYDVLZEH-UFFNRZRYSA-N	0	0	194.661	3.116	10	0		AGAERN
CC(C)C[C@H](C)[C@@H](O)[C@H]1CC=CCC1	308507685	573137467	/nfs/dbraw/zinc/13/74/67/573137467.db2.gz	ZXNUFGYVPXPHIE-RWMBFGLXSA-N	0	0	196.334	3.386	10	0		AGAERN
CC[C@@]1(C)CNc2c(F)cc(C)cc21	238289335	573138027	/nfs/dbraw/zinc/13/80/27/573138027.db2.gz	OOQGTKBVVLRXMR-LBPRGKRZSA-N	0	0	193.265	3.227	10	0		AGAERN
CCCC[C@H]([NH2+]CC)c1ccco1	49844566	573138662	/nfs/dbraw/zinc/13/86/62/573138662.db2.gz	MHPOKXXERGEBFE-JTQLQIEISA-N	0	0	181.279	3.120	10	0		AGAERN
CCc1ccc(SC(C)C)cn1	238289649	573138765	/nfs/dbraw/zinc/13/87/65/573138765.db2.gz	JWACLQROWGIJGO-UHFFFAOYSA-N	0	0	181.304	3.145	10	0		AGAERN
CCc1ccc(Cl)c(CC)c1C=O	114914712	573139131	/nfs/dbraw/zinc/13/91/31/573139131.db2.gz	VEQSRHVWTPIAKP-UHFFFAOYSA-N	0	0	196.677	3.277	10	0		AGAERN
CCCC[C@@H]([NH2+]CC)c1ccc(C)o1	49844691	573139350	/nfs/dbraw/zinc/13/93/50/573139350.db2.gz	JCLAMWMLNGTTHS-LLVKDONJSA-N	0	0	195.306	3.429	10	0		AGAERN
CC[C@@H]1C(=O)[C@@H](C)C1(CC)CC	238299309	573139239	/nfs/dbraw/zinc/13/92/39/573139239.db2.gz	FQNRLTDNSAWYKF-RKDXNWHRSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCC[C@@H](C)Nc1cccc(N)c1	50887057	573139296	/nfs/dbraw/zinc/13/92/96/573139296.db2.gz	CRDNEQOBEQBTLE-SNVBAGLBSA-N	0	0	192.306	3.259	10	0		AGAERN
CCCC[C@@H]([NH2+]CC)c1ccco1	49844567	573139636	/nfs/dbraw/zinc/13/96/36/573139636.db2.gz	MHPOKXXERGEBFE-SNVBAGLBSA-N	0	0	181.279	3.120	10	0		AGAERN
CC[C@@H]1CCCC[C@H]1C1(O)CCC1	85754469	573139996	/nfs/dbraw/zinc/13/99/96/573139996.db2.gz	ROEKCJAITYNQCO-GHMZBOCLSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(C)C(=O)CCCCC(F)(F)F	123712178	573139716	/nfs/dbraw/zinc/13/97/16/573139716.db2.gz	ISXVQSOQEIUBIH-UHFFFAOYSA-N	0	0	196.212	3.334	10	0		AGAERN
Fc1ccc2c(ccn2CC2CC2)c1	82644018	573139796	/nfs/dbraw/zinc/13/97/96/573139796.db2.gz	FBOHEQYRGAOAIP-UHFFFAOYSA-N	0	0	189.233	3.190	10	0		AGAERN
CC[C@H]1CCC[C@H](C2(O)CCC2)C1	85754606	573140137	/nfs/dbraw/zinc/14/01/37/573140137.db2.gz	WNLACGVIFLCBLG-QWRGUYRKSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@H]1CC=Cc2ccccc2N1	238289135	573140204	/nfs/dbraw/zinc/14/02/04/573140204.db2.gz	SXVCVKFOWSLSLD-NSHDSACASA-N	0	0	173.259	3.294	10	0		AGAERN
CC[C@@H]1CCC[C@@H](C2(O)CCC2)C1	85754607	573140250	/nfs/dbraw/zinc/14/02/50/573140250.db2.gz	WNLACGVIFLCBLG-GHMZBOCLSA-N	0	0	182.307	3.118	10	0		AGAERN
Cn1c(C2CCCCC2)cnc1Cl	258548912	573140446	/nfs/dbraw/zinc/14/04/46/573140446.db2.gz	OFGLNJATQJHXHD-UHFFFAOYSA-N	0	0	198.697	3.121	10	0		AGAERN
CC(=O)/C=C/[C@@H]1CC(C)=C[C@H](C)[C@@H]1C	1669524	573140603	/nfs/dbraw/zinc/14/06/03/573140603.db2.gz	DGFJDZRKSVHFAM-HNSJSBKASA-N	0	0	192.302	3.370	10	0		AGAERN
CC(C)C[C@H](C)[C@@H](O)[C@@H]1CC=CCC1	308507687	573140978	/nfs/dbraw/zinc/14/09/78/573140978.db2.gz	ZXNUFGYVPXPHIE-YNEHKIRRSA-N	0	0	196.334	3.386	10	0		AGAERN
CC[C@@]1(C)CNc2c1ccc(F)c2C	238289171	573141015	/nfs/dbraw/zinc/14/10/15/573141015.db2.gz	JGWCJHQWPZKLMK-LBPRGKRZSA-N	0	0	193.265	3.227	10	0		AGAERN
CCc1c(C)c(C)c(CC)c(N)c1C	238289422	573141284	/nfs/dbraw/zinc/14/12/84/573141284.db2.gz	KFMFHZAJHRYTEV-UHFFFAOYSA-N	0	0	191.318	3.319	10	0		AGAERN
Fc1ccc2c(ccn2CC(F)F)c1	82644017	573141335	/nfs/dbraw/zinc/14/13/35/573141335.db2.gz	DVVBSMBMQMBSFU-UHFFFAOYSA-N	0	0	199.175	3.046	10	0		AGAERN
CC[C@@]1(C)CNc2c(C)ccc(F)c21	238289268	573141525	/nfs/dbraw/zinc/14/15/25/573141525.db2.gz	CCNRUDWHQDIGGY-LBPRGKRZSA-N	0	0	193.265	3.227	10	0		AGAERN
CCCCCC[C@@H](O)[C@H]1C[C@@H]2C[C@@H]2C1	252902315	573141684	/nfs/dbraw/zinc/14/16/84/573141684.db2.gz	MOUKWBUJTXOWBG-YVECIDJPSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@]1(C)CNc2c(C)cc(F)cc21	238289231	573142096	/nfs/dbraw/zinc/14/20/96/573142096.db2.gz	OTZMDIBSKXOHIK-LBPRGKRZSA-N	0	0	193.265	3.227	10	0		AGAERN
CC[C@@H]1C(=O)[C@H](C)C1(CC)CC	238299338	573142657	/nfs/dbraw/zinc/14/26/57/573142657.db2.gz	FQNRLTDNSAWYKF-DTWKUNHWSA-N	0	0	168.280	3.038	10	0		AGAERN
CCc1cnc(Cl)c(C2CC2)c1	238299657	573142708	/nfs/dbraw/zinc/14/27/08/573142708.db2.gz	NLFLOJHQBJMBEV-UHFFFAOYSA-N	0	0	181.666	3.175	10	0		AGAERN
CCC(=O)[C@@H]1CCCC[C@H]1CC	82658204	573142719	/nfs/dbraw/zinc/14/27/19/573142719.db2.gz	OPGOTBWCIZFNIU-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1C(=O)C(C)C	82658198	573142734	/nfs/dbraw/zinc/14/27/34/573142734.db2.gz	QQUOGXNRTSXMKE-MNOVXSKESA-N	0	0	182.307	3.428	10	0		AGAERN
CCc1ccc2c(c1)N[C@@H](C)[C@@H]2C	238290491	573145158	/nfs/dbraw/zinc/14/51/58/573145158.db2.gz	XSLGXCFOSMMYSV-IUCAKERBSA-N	0	0	175.275	3.167	10	0		AGAERN
CCc1cc(O)c(CC)c(CC)c1	114986530	573143281	/nfs/dbraw/zinc/14/32/81/573143281.db2.gz	ZCONCJFBSHTFFD-UHFFFAOYSA-N	0	0	178.275	3.079	10	0		AGAERN
CCc1c(C)ccc2c1CCCC2=O	238290740	573143413	/nfs/dbraw/zinc/14/34/13/573143413.db2.gz	PGQWAFRPCCNAOL-UHFFFAOYSA-N	0	0	188.270	3.076	10	0		AGAERN
CC[C@H]1CCC[C@@H](C2(O)CCC2)C1	85754609	573143465	/nfs/dbraw/zinc/14/34/65/573143465.db2.gz	WNLACGVIFLCBLG-WDEREUQCSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@@H]1CCCC[C@H]1[C@](C)(O)C1CC1	82658052	573143680	/nfs/dbraw/zinc/14/36/80/573143680.db2.gz	GIMYBWCSPMSUFV-RAIGVLPGSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC(=O)[C@H]1CCCC[C@@H]1CC	82658203	573143782	/nfs/dbraw/zinc/14/37/82/573143782.db2.gz	OPGOTBWCIZFNIU-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@]1(C)Nc2ccccc2CP1	238290974	573144418	/nfs/dbraw/zinc/14/44/18/573144418.db2.gz	DZSJNQGUXCXHEJ-NSHDSACASA-N	0	0	193.230	3.417	10	0		AGAERN
C[C@H](CC(F)(F)F)n1cccc1	235486691	573143879	/nfs/dbraw/zinc/14/38/79/573143879.db2.gz	HZSNDMUKXBKMEX-SSDOTTSWSA-N	0	0	177.169	3.002	10	0		AGAERN
CCc1ccc2c(c1)N[C@H](C)[C@H]2C	238290815	573143900	/nfs/dbraw/zinc/14/39/00/573143900.db2.gz	XSLGXCFOSMMYSV-RKDXNWHRSA-N	0	0	175.275	3.167	10	0		AGAERN
CC[C@H]1CCCC[C@H]1n1ccnc1C	82659158	573143955	/nfs/dbraw/zinc/14/39/55/573143955.db2.gz	GJASFVIVRGNNIS-NWDGAFQWSA-N	0	0	192.306	3.333	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1[C@](C)(O)C1CC1	82658050	573143970	/nfs/dbraw/zinc/14/39/70/573143970.db2.gz	GIMYBWCSPMSUFV-KGYLQXTDSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1n1ccnc1	82659128	573144172	/nfs/dbraw/zinc/14/41/72/573144172.db2.gz	UJMZQGPZBZYYEY-MNOVXSKESA-N	0	0	178.279	3.024	10	0		AGAERN
CCc1c(C)ccc2cnsc12	238290949	573144191	/nfs/dbraw/zinc/14/41/91/573144191.db2.gz	YRUUIDPRAJIFTP-UHFFFAOYSA-N	0	0	177.272	3.167	10	0		AGAERN
CC[C@@H](C)CCC(=O)OC(C)(C)C	218872857	573144319	/nfs/dbraw/zinc/14/43/19/573144319.db2.gz	DIHFRIKOHOVKQF-SECBINFHSA-N	0	0	186.295	3.154	10	0		AGAERN
Fc1ccc2c(Cl)nccc2c1F	123716944	573144442	/nfs/dbraw/zinc/14/44/42/573144442.db2.gz	ABCGGXJIJPMFCB-UHFFFAOYSA-N	0	0	199.587	3.166	10	0		AGAERN
CCCC(=O)CSCCC(C)C	232933159	573144466	/nfs/dbraw/zinc/14/44/66/573144466.db2.gz	WVIHFLZIHFPJFC-UHFFFAOYSA-N	0	0	188.336	3.135	10	0		AGAERN
CC[C@H]1CCCC[C@@H]1C1(O)CCC1	85754467	573144533	/nfs/dbraw/zinc/14/45/33/573144533.db2.gz	ROEKCJAITYNQCO-QWRGUYRKSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1cc(F)cc2c(Cl)nccc12	123719014	573144537	/nfs/dbraw/zinc/14/45/37/573144537.db2.gz	BLBAJXBSPOEVMS-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1C1(O)CCC1	85754462	573144625	/nfs/dbraw/zinc/14/46/25/573144625.db2.gz	ROEKCJAITYNQCO-MNOVXSKESA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@H]1CCCC[C@H]1n1ccnc1	82659137	573144662	/nfs/dbraw/zinc/14/46/62/573144662.db2.gz	UJMZQGPZBZYYEY-WDEREUQCSA-N	0	0	178.279	3.024	10	0		AGAERN
CC[C@@H]1CCC[C@H](C2(O)CCC2)C1	85754604	573144693	/nfs/dbraw/zinc/14/46/93/573144693.db2.gz	WNLACGVIFLCBLG-MNOVXSKESA-N	0	0	182.307	3.118	10	0		AGAERN
CCc1ccc2c(c1)N[C@@H](C)[C@H]2C	238290826	573145050	/nfs/dbraw/zinc/14/50/50/573145050.db2.gz	XSLGXCFOSMMYSV-BDAKNGLRSA-N	0	0	175.275	3.167	10	0		AGAERN
CC[C@H]1CCCC[C@@H]1C(=O)C(C)C	82658199	573145113	/nfs/dbraw/zinc/14/51/13/573145113.db2.gz	QQUOGXNRTSXMKE-QWRGUYRKSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H]1CCCC[C@H]1C(=O)C(C)C	82658201	573146576	/nfs/dbraw/zinc/14/65/76/573146576.db2.gz	QQUOGXNRTSXMKE-WDEREUQCSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1[C@](C)(O)CC	82658038	573145187	/nfs/dbraw/zinc/14/51/87/573145187.db2.gz	DADGTUMOJJKDID-GRYCIOLGSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H]1CCCC[C@@H]1n1ccnc1C	82659147	573145757	/nfs/dbraw/zinc/14/57/57/573145757.db2.gz	GJASFVIVRGNNIS-RYUDHWBXSA-N	0	0	192.306	3.333	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1n1cccn1	82659118	573145253	/nfs/dbraw/zinc/14/52/53/573145253.db2.gz	UPIQRHPWWNWCMH-MNOVXSKESA-N	0	0	178.279	3.024	10	0		AGAERN
CC[C@]1(C)N=Nc2ccccc2N1	238291007	573145264	/nfs/dbraw/zinc/14/52/64/573145264.db2.gz	VMOLVXLYQADYIL-JTQLQIEISA-N	0	0	175.235	3.322	10	0		AGAERN
CCS[C@H](C)Nc1ccccc1	238290588	573145416	/nfs/dbraw/zinc/14/54/16/573145416.db2.gz	FWDDATRXXYBMNW-SECBINFHSA-N	0	0	181.304	3.198	10	0		AGAERN
CCC(=O)[C@@H]1CCCC[C@@H]1CC	82658205	573145462	/nfs/dbraw/zinc/14/54/62/573145462.db2.gz	OPGOTBWCIZFNIU-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H]1CCCC[C@H]1n1ccnc1C	82659152	573145599	/nfs/dbraw/zinc/14/55/99/573145599.db2.gz	GJASFVIVRGNNIS-VXGBXAGGSA-N	0	0	192.306	3.333	10	0		AGAERN
CC[C@H](O)CCc1cc(C)cc(C)c1	49852233	573145999	/nfs/dbraw/zinc/14/59/99/573145999.db2.gz	NLWPZRPRWCAGLO-ZDUSSCGKSA-N	0	0	192.302	3.007	10	0		AGAERN
CCCCCC[C@H](O)[C@H]1C[C@@H]2C[C@@H]2C1	252902314	573145708	/nfs/dbraw/zinc/14/57/08/573145708.db2.gz	MOUKWBUJTXOWBG-RNJOBUHISA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@H]1CCCC[C@H]1C1(O)CCC1	85754470	573145718	/nfs/dbraw/zinc/14/57/18/573145718.db2.gz	ROEKCJAITYNQCO-WDEREUQCSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@H]1CCCC[C@@H]1n1cccn1	82659120	573145814	/nfs/dbraw/zinc/14/58/14/573145814.db2.gz	UPIQRHPWWNWCMH-QWRGUYRKSA-N	0	0	178.279	3.024	10	0		AGAERN
CCC1CCC(C2(O)CCC2)CC1	85754567	573145857	/nfs/dbraw/zinc/14/58/57/573145857.db2.gz	FSSUJNFJQBDXHZ-UHFFFAOYSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@@H]1CCCC[C@H]1C(=O)C1CC1	82658219	573145899	/nfs/dbraw/zinc/14/58/99/573145899.db2.gz	LRUHSXWPYFMFHV-MWLCHTKSSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@@H]1CCCC[C@H]1[C@H](O)C(C)C	82658311	573145906	/nfs/dbraw/zinc/14/59/06/573145906.db2.gz	ZATVBMMYZRIOQY-IJLUTSLNSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@@H]1CCCC[C@H]1n1cccn1	82659124	573146094	/nfs/dbraw/zinc/14/60/94/573146094.db2.gz	UPIQRHPWWNWCMH-GHMZBOCLSA-N	0	0	178.279	3.024	10	0		AGAERN
COc1c(F)cccc1[C@H]1C=CCC1	114942419	573146219	/nfs/dbraw/zinc/14/62/19/573146219.db2.gz	PKLAIMMQHGJFJP-VIFPVBQESA-N	0	0	192.233	3.268	10	0		AGAERN
CCc1c(C)ccc2sncc12	238291057	573146335	/nfs/dbraw/zinc/14/63/35/573146335.db2.gz	PPHULOUTHGWFNO-UHFFFAOYSA-N	0	0	177.272	3.167	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1C(=O)C1CC1	82658217	573146563	/nfs/dbraw/zinc/14/65/63/573146563.db2.gz	LRUHSXWPYFMFHV-KOLCDFICSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@@H]1CCCC[C@H]1C(=O)C(C)C	82658200	573146569	/nfs/dbraw/zinc/14/65/69/573146569.db2.gz	QQUOGXNRTSXMKE-GHMZBOCLSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H]1CCCC[C@H]1n1ccnc1	82659133	573147312	/nfs/dbraw/zinc/14/73/12/573147312.db2.gz	UJMZQGPZBZYYEY-GHMZBOCLSA-N	0	0	178.279	3.024	10	0		AGAERN
CSC(=N)CCc1ccc(F)cc1	258551226	573147325	/nfs/dbraw/zinc/14/73/25/573147325.db2.gz	FFKMBDSUOSTTNB-UHFFFAOYSA-N	0	0	197.278	3.099	10	0		AGAERN
CCC(CC)[C@@H](O)C1(C)CCCC1	123716739	573147561	/nfs/dbraw/zinc/14/75/61/573147561.db2.gz	WZSWQVJCABFEBH-LLVKDONJSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1ccc(C(=O)[C@H](C)CC(C)C)o1	308504706	573147831	/nfs/dbraw/zinc/14/78/31/573147831.db2.gz	YIHQJGMRBHPKGH-SECBINFHSA-N	0	0	194.274	3.453	10	0		AGAERN
CC[C@H]1CCCC2=C1CCC(=O)C2	238290238	573148097	/nfs/dbraw/zinc/14/80/97/573148097.db2.gz	UGXBMJSJANMUQV-VIFPVBQESA-N	0	0	178.275	3.246	10	0		AGAERN
CC[C@H]1CCCC[C@@H]1C(=O)C1CC1	82658218	573147940	/nfs/dbraw/zinc/14/79/40/573147940.db2.gz	LRUHSXWPYFMFHV-ONGXEEELSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@H]1CCCC[C@H]1C(=O)C1CC1	82658220	573148706	/nfs/dbraw/zinc/14/87/06/573148706.db2.gz	LRUHSXWPYFMFHV-GXSJLCMTSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@H]1CCCC[C@@H]1n1ccnc1	82659130	573148713	/nfs/dbraw/zinc/14/87/13/573148713.db2.gz	UJMZQGPZBZYYEY-QWRGUYRKSA-N	0	0	178.279	3.024	10	0		AGAERN
CCSc1c(C)cc(C)cc1O	238292752	573149077	/nfs/dbraw/zinc/14/90/77/573149077.db2.gz	YFAVZWCTINHJFV-UHFFFAOYSA-N	0	0	182.288	3.121	10	0		AGAERN
CCCc1cnc(Cl)n1C(C)C	258551359	573149296	/nfs/dbraw/zinc/14/92/96/573149296.db2.gz	OKHQEPBUCTZIDP-UHFFFAOYSA-N	0	0	186.686	3.070	10	0		AGAERN
CCCC(C)(C)c1ccccc1O	114968759	573149312	/nfs/dbraw/zinc/14/93/12/573149312.db2.gz	YLKVTTYYNZNLBS-UHFFFAOYSA-N	0	0	178.275	3.470	10	0		AGAERN
CCc1ccc2[nH]cc(Cl)c2c1	238291294	573149323	/nfs/dbraw/zinc/14/93/23/573149323.db2.gz	HUHKBNLUPMIYKS-UHFFFAOYSA-N	0	0	179.650	3.384	10	0		AGAERN
Cc1cccc([C@H](O)CC(C)(C)C)c1	82673854	573149775	/nfs/dbraw/zinc/14/97/75/573149775.db2.gz	IXKQZNAKNWEEBH-GFCCVEGCSA-N	0	0	192.302	3.465	10	0		AGAERN
CC(C)CCC(=O)CC(C)(C)C	82673557	573149837	/nfs/dbraw/zinc/14/98/37/573149837.db2.gz	XQTIIOBJOLSUNB-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
Cc1ccc(Br)c(C)c1C	115054612	573150397	/nfs/dbraw/zinc/15/03/97/573150397.db2.gz	BHISMPFNRVMPFN-UHFFFAOYSA-N	0	0	199.091	3.374	10	0		AGAERN
Cc1ccc(C(=O)[C@@H](C)CC(C)C)o1	308504708	573150653	/nfs/dbraw/zinc/15/06/53/573150653.db2.gz	YIHQJGMRBHPKGH-VIFPVBQESA-N	0	0	194.274	3.453	10	0		AGAERN
CC(C)c1ccc(Cl)c(N)c1	82667891	573150771	/nfs/dbraw/zinc/15/07/71/573150771.db2.gz	FZBQYLAMHUAYOI-UHFFFAOYSA-N	0	0	169.655	3.046	10	0		AGAERN
CCSc1[nH]c(C)c(CC)c1C	238292529	573151574	/nfs/dbraw/zinc/15/15/74/573151574.db2.gz	MLAZCOHKDIKBJC-UHFFFAOYSA-N	0	0	183.320	3.306	10	0		AGAERN
CCc1ccc2c(C)ccc(O)c2c1	238291813	573151633	/nfs/dbraw/zinc/15/16/33/573151633.db2.gz	KZCXAIWQULNYHY-UHFFFAOYSA-N	0	0	186.254	3.416	10	0		AGAERN
CC[C@@H](C)C(O)(C1CCC1)C1CCC1	308504728	573151733	/nfs/dbraw/zinc/15/17/33/573151733.db2.gz	YIZZLJIKANGSFO-SNVBAGLBSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@](C)(Cl)CC(=O)C(C)C	238291830	573152038	/nfs/dbraw/zinc/15/20/38/573152038.db2.gz	FJXJNCZXOMMGBJ-SECBINFHSA-N	0	0	176.687	3.009	10	0		AGAERN
CC(C)(C)C[C@@H](O)C1CCCCC1	82673691	573152101	/nfs/dbraw/zinc/15/21/01/573152101.db2.gz	CQAXEVBRJBPISN-LLVKDONJSA-N	0	0	184.323	3.364	10	0		AGAERN
CCc1ccc2cc(C)ccc2c1O	238292310	573152413	/nfs/dbraw/zinc/15/24/13/573152413.db2.gz	BEQSNPXZGBYXFO-UHFFFAOYSA-N	0	0	186.254	3.416	10	0		AGAERN
CC(C)(C)C[C@@H](O)c1ccccc1F	82673709	573152414	/nfs/dbraw/zinc/15/24/14/573152414.db2.gz	XXTICGAZNFHFLZ-LLVKDONJSA-N	0	0	196.265	3.295	10	0		AGAERN
CC[C@@H](C)C[C@](N)(CC)C(F)(F)F	82670800	573153000	/nfs/dbraw/zinc/15/30/00/573153000.db2.gz	CVSJALZCTPWBCC-HTQZYQBOSA-N	0	0	197.244	3.092	10	0		AGAERN
CNc1nc(C)c(C2CCCCC2)o1	258544695	573152690	/nfs/dbraw/zinc/15/26/90/573152690.db2.gz	ILFARJMWLMEDFY-UHFFFAOYSA-N	0	0	194.278	3.072	10	0		AGAERN
CC(C)/C(=C/C(C(C)C)C(C)C)CO	308507004	573153030	/nfs/dbraw/zinc/15/30/30/573153030.db2.gz	ZKLBOUUJTRLBPC-KPKJPENVSA-N	0	0	198.350	3.489	10	0		AGAERN
CCc1ccc2c(C)c(C)[nH]c2c1	238291696	573153135	/nfs/dbraw/zinc/15/31/35/573153135.db2.gz	RAXBIWIUCIJDFR-UHFFFAOYSA-N	0	0	173.259	3.347	10	0		AGAERN
CCc1ccc2c(Cl)c[nH]c2c1	238292027	573153241	/nfs/dbraw/zinc/15/32/41/573153241.db2.gz	XVTSBQAFLWTTFK-UHFFFAOYSA-N	0	0	179.650	3.384	10	0		AGAERN
CC(C)(C)C[C@H](O)c1cccc(F)c1	82673694	573153307	/nfs/dbraw/zinc/15/33/07/573153307.db2.gz	KRSRGQCRVYUVGH-NSHDSACASA-N	0	0	196.265	3.295	10	0		AGAERN
CCc1ccc2ccc(O)c(C)c2c1	238292447	573153469	/nfs/dbraw/zinc/15/34/69/573153469.db2.gz	MQWRPLIHBUDHGB-UHFFFAOYSA-N	0	0	186.254	3.416	10	0		AGAERN
Cc1ccccc1[C@H](O)CC(C)(C)C	82673864	573153550	/nfs/dbraw/zinc/15/35/50/573153550.db2.gz	KEAUGHNPNDABPO-GFCCVEGCSA-N	0	0	192.302	3.465	10	0		AGAERN
CC(C)(C)C[C@H](O)C1CCCCC1	82673689	573153580	/nfs/dbraw/zinc/15/35/80/573153580.db2.gz	CQAXEVBRJBPISN-NSHDSACASA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)(C)CC(=O)C1CCCC1	82673620	573153969	/nfs/dbraw/zinc/15/39/69/573153969.db2.gz	BLXITHSSWXTECH-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1ccccc1[C@@H](O)CC(C)(C)C	82673866	573154369	/nfs/dbraw/zinc/15/43/69/573154369.db2.gz	KEAUGHNPNDABPO-LBPRGKRZSA-N	0	0	192.302	3.465	10	0		AGAERN
Cc1cccc([C@@H](O)CC(C)(C)C)c1	82673856	573154376	/nfs/dbraw/zinc/15/43/76/573154376.db2.gz	IXKQZNAKNWEEBH-LBPRGKRZSA-N	0	0	192.302	3.465	10	0		AGAERN
CC(C)C(C(=O)c1ccc[nH]1)C(C)C	308506749	573154705	/nfs/dbraw/zinc/15/47/05/573154705.db2.gz	ZHUQNXNJGVQMRR-UHFFFAOYSA-N	0	0	193.290	3.126	10	0		AGAERN
CC(C)/C(=C\C(C(C)C)C(C)C)CO	308507002	573154772	/nfs/dbraw/zinc/15/47/72/573154772.db2.gz	ZKLBOUUJTRLBPC-GHXNOFRVSA-N	0	0	198.350	3.489	10	0		AGAERN
Cc1ccc(C(=O)CC(C)(C)C)cn1	82673627	573154819	/nfs/dbraw/zinc/15/48/19/573154819.db2.gz	MAYCAVXDAINMPY-UHFFFAOYSA-N	0	0	191.274	3.009	10	0		AGAERN
Fc1cccc(Oc2cnsc2)c1	258554321	573155328	/nfs/dbraw/zinc/15/53/28/573155328.db2.gz	OPUAXLVJLXUXBS-UHFFFAOYSA-N	0	0	195.218	3.075	10	0		AGAERN
CC(C)(C)C[C@H](O)c1ccccc1F	82673707	573155371	/nfs/dbraw/zinc/15/53/71/573155371.db2.gz	XXTICGAZNFHFLZ-NSHDSACASA-N	0	0	196.265	3.295	10	0		AGAERN
CCc1ccc2sncc2c1C	238294575	573155486	/nfs/dbraw/zinc/15/54/86/573155486.db2.gz	NCFKZXNYHGXPMK-UHFFFAOYSA-N	0	0	177.272	3.167	10	0		AGAERN
CCCc1cc(CC)cc(C)c1O	115053737	573155532	/nfs/dbraw/zinc/15/55/32/573155532.db2.gz	DFUXUUGXOMYKBN-UHFFFAOYSA-N	0	0	178.275	3.216	10	0		AGAERN
CCc1ccc2cnsc2c1C	238292963	573155672	/nfs/dbraw/zinc/15/56/72/573155672.db2.gz	ZGOACUQRTAKLDL-UHFFFAOYSA-N	0	0	177.272	3.167	10	0		AGAERN
CCc1ccc2oncc2c1Cl	238294339	573155982	/nfs/dbraw/zinc/15/59/82/573155982.db2.gz	YVIYFDFOJFXRQT-UHFFFAOYSA-N	0	0	181.622	3.044	10	0		AGAERN
CC(C)c1ccc(C2(C)COC2)cc1	258545240	573156049	/nfs/dbraw/zinc/15/60/49/573156049.db2.gz	KCVXPQVFTGMFAR-UHFFFAOYSA-N	0	0	190.286	3.098	10	0		AGAERN
O[C@@H](C1CCCCC1)[C@@H]1CC=CCC1	82678819	573156463	/nfs/dbraw/zinc/15/64/63/573156463.db2.gz	VNTBIIIYWKJYJI-DGCLKSJQSA-N	0	0	194.318	3.284	10	0		AGAERN
Cc1cc(O)ccc1CSC(C)C	258237117	573157591	/nfs/dbraw/zinc/15/75/91/573157591.db2.gz	ZFHDTXVSGFYXIR-UHFFFAOYSA-N	0	0	196.315	3.342	10	0		AGAERN
CC[C@H](C)[C@@H](C)c1ccc(N)cc1	238292853	573157605	/nfs/dbraw/zinc/15/76/05/573157605.db2.gz	XYOSNVLTAMEVAC-VHSXEESVSA-N	0	0	177.291	3.418	10	0		AGAERN
O[C@H](c1cccs1)[C@H]1CC=CCC1	82678836	573157676	/nfs/dbraw/zinc/15/76/76/573157676.db2.gz	SBKBOQQRERBSQE-ONGXEEELSA-N	0	0	194.299	3.138	10	0		AGAERN
CCCC/C(=C\CO)c1ccccc1	218913672	573158127	/nfs/dbraw/zinc/15/81/27/573158127.db2.gz	RXLNACVXPYUTPH-JLHYYAGUSA-N	0	0	190.286	3.253	10	0		AGAERN
CCCC/C=C/C(=C\C(C)C)CO	218917521	573158179	/nfs/dbraw/zinc/15/81/79/573158179.db2.gz	FMMGQDKIDQGQFD-ANKZSMJWSA-N	0	0	182.307	3.308	10	0		AGAERN
O[C@H](C1CCCCC1)[C@H]1CC=CCC1	82678818	573158248	/nfs/dbraw/zinc/15/82/48/573158248.db2.gz	VNTBIIIYWKJYJI-AAEUAGOBSA-N	0	0	194.318	3.284	10	0		AGAERN
CCCC/C=C\C(=C\C(C)C)CO	218917597	573158379	/nfs/dbraw/zinc/15/83/79/573158379.db2.gz	FMMGQDKIDQGQFD-JNWHFCKMSA-N	0	0	182.307	3.308	10	0		AGAERN
CC[C@H](CC(C)=O)[Si](C)(C)C	238293926	573158866	/nfs/dbraw/zinc/15/88/66/573158866.db2.gz	BQZGKUXXRIETEE-SECBINFHSA-N	0	0	172.344	3.084	10	0		AGAERN
CCc1ccc2cnoc2c1Cl	238292908	573158921	/nfs/dbraw/zinc/15/89/21/573158921.db2.gz	PXBQJAHAKMPRKQ-UHFFFAOYSA-N	0	0	181.622	3.044	10	0		AGAERN
O[C@H](c1cccs1)[C@@H]1CC=CCC1	82678840	573159046	/nfs/dbraw/zinc/15/90/46/573159046.db2.gz	SBKBOQQRERBSQE-KOLCDFICSA-N	0	0	194.299	3.138	10	0		AGAERN
O[C@@H](C1CCCCC1)[C@H]1CC=CCC1	82678816	573159308	/nfs/dbraw/zinc/15/93/08/573159308.db2.gz	VNTBIIIYWKJYJI-WCQYABFASA-N	0	0	194.318	3.284	10	0		AGAERN
Fc1cccc(-c2cc(Cl)on2)c1	82703808	573159615	/nfs/dbraw/zinc/15/96/15/573159615.db2.gz	HTEJNFHARLLYEH-UHFFFAOYSA-N	0	0	197.596	3.134	10	0		AGAERN
CC[C@H](CC[C@@H]1C[C@@H]1C1CC1)[C@H](C)O	715525504	573159660	/nfs/dbraw/zinc/15/96/60/573159660.db2.gz	QAFISFMRVYBBPP-XKAARJIMSA-N	0	0	196.334	3.220	10	0		AGAERN
O[C@H](C1CCCCC1)[C@@H]1CC=CCC1	82678821	573159844	/nfs/dbraw/zinc/15/98/44/573159844.db2.gz	VNTBIIIYWKJYJI-YPMHNXCESA-N	0	0	194.318	3.284	10	0		AGAERN
C/C=C\Cc1cc(C)ccc1NC	225383546	573160134	/nfs/dbraw/zinc/16/01/34/573160134.db2.gz	YRBKURJJEYNIRH-PLNGDYQASA-N	0	0	175.275	3.155	10	0		AGAERN
CCC[C@H](O)c1ccc([C@@H]2C[C@@H]2C)o1	82677053	573160178	/nfs/dbraw/zinc/16/01/78/573160178.db2.gz	URLVFNCVHOPTIJ-AEJSXWLSSA-N	0	0	194.274	3.237	10	0		AGAERN
CCc1ccc([C@@H](O)C2CCCC2)o1	82677550	573160277	/nfs/dbraw/zinc/16/02/77/573160277.db2.gz	JBENCGOKAYKGOT-LBPRGKRZSA-N	0	0	194.274	3.066	10	0		AGAERN
CCC[C@H](C)[C@@H](O)C1CCCCC1	82679841	573160317	/nfs/dbraw/zinc/16/03/17/573160317.db2.gz	QNSWZKBOYNKIRE-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
Fc1ccccc1-c1cc(Cl)on1	82703669	573160596	/nfs/dbraw/zinc/16/05/96/573160596.db2.gz	KUUCOVHMYIFZRX-UHFFFAOYSA-N	0	0	197.596	3.134	10	0		AGAERN
CC[C@H](CC[C@@H]1C[C@H]1C1CC1)[C@H](C)O	715525505	573160651	/nfs/dbraw/zinc/16/06/51/573160651.db2.gz	QAFISFMRVYBBPP-YGNMPJRFSA-N	0	0	196.334	3.220	10	0		AGAERN
CC(C)C(C(=O)c1ccco1)C(C)C	308507407	573161088	/nfs/dbraw/zinc/16/10/88/573161088.db2.gz	ZTECDSGOQXMEJR-UHFFFAOYSA-N	0	0	194.274	3.391	10	0		AGAERN
CC/C(=C/c1ccc(C)cc1)[N+](=O)[O-]	115075988	573161816	/nfs/dbraw/zinc/16/18/16/573161816.db2.gz	YUDIMQCLFNBLGC-FLIBITNWSA-N	0	0	191.230	3.023	10	0		AGAERN
C[C@](F)(c1ccccc1O)C1CCC1	259602250	573161851	/nfs/dbraw/zinc/16/18/51/573161851.db2.gz	DCLPASGKBFLXAK-GFCCVEGCSA-N	0	0	194.249	3.377	10	0		AGAERN
CCC[C@H](C)CNn1c(C)ccc1C	85829674	573161864	/nfs/dbraw/zinc/16/18/64/573161864.db2.gz	GMBCCKATESNAFA-JTQLQIEISA-N	0	0	194.322	3.085	10	0		AGAERN
CC[C@H](C)c1nnc([C@H](C)CC)o1	308285100	573161876	/nfs/dbraw/zinc/16/18/76/573161876.db2.gz	AOTLQSCELKNLRL-OCAPTIKFSA-N	0	0	182.267	3.097	10	0		AGAERN
CCSc1cc(Cl)ccc1O	238296389	573161926	/nfs/dbraw/zinc/16/19/26/573161926.db2.gz	HXFSRMJVAYEGRS-UHFFFAOYSA-N	0	0	188.679	3.158	10	0		AGAERN
CC[C@@H](C)c1nnc([C@H](C)CC)o1	308285098	573162305	/nfs/dbraw/zinc/16/23/05/573162305.db2.gz	AOTLQSCELKNLRL-HTQZYQBOSA-N	0	0	182.267	3.097	10	0		AGAERN
c1ccn(NCC2CCCCCC2)c1	85829124	573162325	/nfs/dbraw/zinc/16/23/25/573162325.db2.gz	QANJQIIYUBBJFA-UHFFFAOYSA-N	0	0	192.306	3.002	10	0		AGAERN
CC(C)(C)c1cccc(N=O)c1O	115066342	573162516	/nfs/dbraw/zinc/16/25/16/573162516.db2.gz	HNBYWOOMAYLNRI-UHFFFAOYSA-N	0	0	179.219	3.088	10	0		AGAERN
CC1=C[C@H](C(C)(C)/C=C\CCO)CC1	205939820	573162559	/nfs/dbraw/zinc/16/25/59/573162559.db2.gz	QISSZONXTAXWGN-HXUAIIEXSA-N	0	0	194.318	3.308	10	0		AGAERN
CCC1=C(C)C=Nc2ccccc2N1	238296748	573162603	/nfs/dbraw/zinc/16/26/03/573162603.db2.gz	ZUYYZBJWDBOQFZ-UHFFFAOYSA-N	0	0	186.258	3.498	10	0		AGAERN
Cc1cccc(OCC[C@H](C)F)c1	308284652	573162606	/nfs/dbraw/zinc/16/26/06/573162606.db2.gz	YLNLSYAAEBAICH-JTQLQIEISA-N	0	0	182.238	3.122	10	0		AGAERN
C[C@H](Nn1cccc1)C1CCCCC1	85829049	573162653	/nfs/dbraw/zinc/16/26/53/573162653.db2.gz	HMHVHLSPRRJHLJ-NSHDSACASA-N	0	0	192.306	3.000	10	0		AGAERN
Clc1cnc(-c2cccs2)o1	258560445	573162655	/nfs/dbraw/zinc/16/26/55/573162655.db2.gz	PHFJWZGKDQYTJB-UHFFFAOYSA-N	0	0	185.635	3.057	10	0		AGAERN
C[C@H]1CCC[C@@H](Nn2cccc2)CC1	85828788	573162666	/nfs/dbraw/zinc/16/26/66/573162666.db2.gz	LRGBZPATAQUMRP-NWDGAFQWSA-N	0	0	192.306	3.000	10	0		AGAERN
Cc1cccc(OCC[C@@H](C)F)c1	308284653	573162670	/nfs/dbraw/zinc/16/26/70/573162670.db2.gz	YLNLSYAAEBAICH-SNVBAGLBSA-N	0	0	182.238	3.122	10	0		AGAERN
CCc1c(Cl)n(C)c2ccccc12	238297279	573162686	/nfs/dbraw/zinc/16/26/86/573162686.db2.gz	OPDNFWWCVBVWSA-UHFFFAOYSA-N	0	0	193.677	3.394	10	0		AGAERN
c1ccn(NC2CCCCCCC2)c1	85828796	573162701	/nfs/dbraw/zinc/16/27/01/573162701.db2.gz	ILWTWRVBWNEUNZ-UHFFFAOYSA-N	0	0	192.306	3.145	10	0		AGAERN
CCSc1cc(O)cc(Cl)c1	238298123	573162940	/nfs/dbraw/zinc/16/29/40/573162940.db2.gz	XKTXMPUACOCGNF-UHFFFAOYSA-N	0	0	188.679	3.158	10	0		AGAERN
CC[C@H]1c2ccc(O)cc2C[C@H]1C	238297696	573163009	/nfs/dbraw/zinc/16/30/09/573163009.db2.gz	IGGHYQAUJVVDPI-LDYMZIIASA-N	0	0	176.259	3.078	10	0		AGAERN
CN(c1ccc(F)cc1Cl)C1CC1	238296498	573163135	/nfs/dbraw/zinc/16/31/35/573163135.db2.gz	ILUPHEGLHHXKFD-UHFFFAOYSA-N	0	0	199.656	3.078	10	0		AGAERN
C[C@@H](Nn1cccc1)C1CCCCC1	85829050	573163408	/nfs/dbraw/zinc/16/34/08/573163408.db2.gz	HMHVHLSPRRJHLJ-LLVKDONJSA-N	0	0	192.306	3.000	10	0		AGAERN
CC1(C)CCC[C@H](Nn2cccc2)C1	85828746	573163453	/nfs/dbraw/zinc/16/34/53/573163453.db2.gz	XPTHCGZYSWCBTC-NSHDSACASA-N	0	0	192.306	3.000	10	0		AGAERN
CC1(C)CCC(Nn2cccc2)CC1	85828618	573163482	/nfs/dbraw/zinc/16/34/82/573163482.db2.gz	KUVIHTQUCJYMOI-UHFFFAOYSA-N	0	0	192.306	3.000	10	0		AGAERN
CC[C@@H]1CCC[C@H](Nn2cccc2)C1	85829076	573163491	/nfs/dbraw/zinc/16/34/91/573163491.db2.gz	IPXSELBNRYXAOA-NEPJUHHUSA-N	0	0	192.306	3.000	10	0		AGAERN
C[C@H]1CCC[C@H](Nn2cccc2)CC1	85828783	573163570	/nfs/dbraw/zinc/16/35/70/573163570.db2.gz	LRGBZPATAQUMRP-RYUDHWBXSA-N	0	0	192.306	3.000	10	0		AGAERN
CC[C@@H]1C(=O)CCC2=C1CCCC2	238297340	573163574	/nfs/dbraw/zinc/16/35/74/573163574.db2.gz	CEDFOVNGNNBFHN-JTQLQIEISA-N	0	0	178.275	3.246	10	0		AGAERN
CC[C@@H]1CCC[C@@H](Nn2cccc2)C1	85829080	573163832	/nfs/dbraw/zinc/16/38/32/573163832.db2.gz	IPXSELBNRYXAOA-VXGBXAGGSA-N	0	0	192.306	3.000	10	0		AGAERN
CC[C@H]1c2ccccc2NC[C@H]1C	238297668	573163687	/nfs/dbraw/zinc/16/36/87/573163687.db2.gz	BQDUXYUVBNPAMP-NXEZZACHSA-N	0	0	175.275	3.242	10	0		AGAERN
CC[C@H]1CCCC[C@@H]1Nn1cccc1	85828740	573164240	/nfs/dbraw/zinc/16/42/40/573164240.db2.gz	QPQHAEHWHXNOGJ-RYUDHWBXSA-N	0	0	192.306	3.000	10	0		AGAERN
C/C=C\Cn1ccc2ccccc21	82184904	573164287	/nfs/dbraw/zinc/16/42/87/573164287.db2.gz	RZMWJZILWFNLOK-IHWYPQMZSA-N	0	0	171.243	3.217	10	0		AGAERN
CC[C@H]1CCC[C@H](Nn2cccc2)C1	85829079	573164357	/nfs/dbraw/zinc/16/43/57/573164357.db2.gz	IPXSELBNRYXAOA-RYUDHWBXSA-N	0	0	192.306	3.000	10	0		AGAERN
Cc1cccc2c1oc1[nH]c(C=O)cc12	259349933	573164445	/nfs/dbraw/zinc/16/44/45/573164445.db2.gz	PMTRODBILBYQNT-UHFFFAOYSA-N	0	0	199.209	3.035	10	0		AGAERN
CC(C)c1ccccc1CC[C@@H](C)O	308513326	573164463	/nfs/dbraw/zinc/16/44/63/573164463.db2.gz	TVZLOLKOAJPVKU-LLVKDONJSA-N	0	0	192.302	3.123	10	0		AGAERN
CCC[C@@H](O)c1sc(C)cc1CC	308289919	573164464	/nfs/dbraw/zinc/16/44/64/573164464.db2.gz	DDLMZUAMBMLPDE-SNVBAGLBSA-N	0	0	198.331	3.452	10	0		AGAERN
CC(C)c1ccccc1CC[C@H](C)O	308513327	573164679	/nfs/dbraw/zinc/16/46/79/573164679.db2.gz	TVZLOLKOAJPVKU-NSHDSACASA-N	0	0	192.302	3.123	10	0		AGAERN
CC[C@@H]1CCCC[C@H]1Nn1cccc1	85828742	573164689	/nfs/dbraw/zinc/16/46/89/573164689.db2.gz	QPQHAEHWHXNOGJ-VXGBXAGGSA-N	0	0	192.306	3.000	10	0		AGAERN
CCSc1cc(O)cc(CC)c1	238298103	573165412	/nfs/dbraw/zinc/16/54/12/573165412.db2.gz	AKTMLOTXPOHEDA-UHFFFAOYSA-N	0	0	182.288	3.067	10	0		AGAERN
CC(C)(F)C(=O)CC[C@H]1C[C@H]1C1CC1	714843502	573165456	/nfs/dbraw/zinc/16/54/56/573165456.db2.gz	ITYSDYALTVFEMK-UWVGGRQHSA-N	0	0	198.281	3.130	10	0		AGAERN
CC1(C)CCC[C@@H](Nn2cccc2)C1	85828749	573165472	/nfs/dbraw/zinc/16/54/72/573165472.db2.gz	XPTHCGZYSWCBTC-LLVKDONJSA-N	0	0	192.306	3.000	10	0		AGAERN
CC[C@H]1CCCC[C@H]1Nn1cccc1	85828744	573165488	/nfs/dbraw/zinc/16/54/88/573165488.db2.gz	QPQHAEHWHXNOGJ-NWDGAFQWSA-N	0	0	192.306	3.000	10	0		AGAERN
CCc1ccc(CC(=O)C(C)C)cc1	49962350	573165586	/nfs/dbraw/zinc/16/55/86/573165586.db2.gz	QQYKYUGGZNSFHA-UHFFFAOYSA-N	0	0	190.286	3.017	10	0		AGAERN
CCC[C@H](O)[C@@H](C)c1ccccc1C	212503452	573165655	/nfs/dbraw/zinc/16/56/55/573165655.db2.gz	HGCXMXSYJFYVMN-AAEUAGOBSA-N	0	0	192.302	3.260	10	0		AGAERN
CC(C)(F)C(=O)CC[C@H]1C[C@@H]1C1CC1	714843504	573165769	/nfs/dbraw/zinc/16/57/69/573165769.db2.gz	ITYSDYALTVFEMK-VHSXEESVSA-N	0	0	198.281	3.130	10	0		AGAERN
CC(C)CC[C@@H]1CCCC[C@@H](O)C1	82735626	573165915	/nfs/dbraw/zinc/16/59/15/573165915.db2.gz	TXXNFPMJMLXZDS-NWDGAFQWSA-N	0	0	184.323	3.364	10	0		AGAERN
CCSc1cc(O)ccc1CC	238298312	573165922	/nfs/dbraw/zinc/16/59/22/573165922.db2.gz	FDCUMUGPNULYTQ-UHFFFAOYSA-N	0	0	182.288	3.067	10	0		AGAERN
CCC[C@H](O)c1sc(C)cc1CC	308289918	573166167	/nfs/dbraw/zinc/16/61/67/573166167.db2.gz	DDLMZUAMBMLPDE-JTQLQIEISA-N	0	0	198.331	3.452	10	0		AGAERN
Cc1cccc([C@@]23CC[C@@H](CO2)C3)c1	258237473	573166178	/nfs/dbraw/zinc/16/61/78/573166178.db2.gz	PNEAXICMSCQJJJ-YPMHNXCESA-N	0	0	188.270	3.021	10	0		AGAERN
CN(c1ccc(F)c(Cl)c1)C1CC1	238296444	573166244	/nfs/dbraw/zinc/16/62/44/573166244.db2.gz	GVLSCPOHBTXQPZ-UHFFFAOYSA-N	0	0	199.656	3.078	10	0		AGAERN
CC(C)CC[C@H]1CCCC[C@@H](O)C1	82735628	573167051	/nfs/dbraw/zinc/16/70/51/573167051.db2.gz	TXXNFPMJMLXZDS-VXGBXAGGSA-N	0	0	184.323	3.364	10	0		AGAERN
C/C=C\C[C@@H]1C[C@H](C(C)C)CC[C@@H]1O	211632492	573167231	/nfs/dbraw/zinc/16/72/31/573167231.db2.gz	CDENFUNDCAJILD-VAFQMXCQSA-N	0	0	196.334	3.386	10	0		AGAERN
CC(C)CC[C@@H]1CCCC[C@H](O)C1	82735622	573167503	/nfs/dbraw/zinc/16/75/03/573167503.db2.gz	TXXNFPMJMLXZDS-RYUDHWBXSA-N	0	0	184.323	3.364	10	0		AGAERN
CC/C=C/CCCCCC(=O)OCC	211899934	573167523	/nfs/dbraw/zinc/16/75/23/573167523.db2.gz	VYCPOTLJCTVFRW-AATRIKPKSA-N	0	0	198.306	3.466	10	0		AGAERN
CC(C)CC[C@H]1CCCC[C@H](O)C1	82735624	573167906	/nfs/dbraw/zinc/16/79/06/573167906.db2.gz	TXXNFPMJMLXZDS-NEPJUHHUSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)(F)C(=O)CC[C@@H]1C[C@H]1C1CC1	714843506	573167911	/nfs/dbraw/zinc/16/79/11/573167911.db2.gz	ITYSDYALTVFEMK-ZJUUUORDSA-N	0	0	198.281	3.130	10	0		AGAERN
CCCC(=O)Cc1ccc(CC)cc1	49962356	573168432	/nfs/dbraw/zinc/16/84/32/573168432.db2.gz	YACJMKBBRHVOAZ-UHFFFAOYSA-N	0	0	190.286	3.161	10	0		AGAERN
Fc1ccc(OCCC2CC2)c(F)c1	308511229	573168518	/nfs/dbraw/zinc/16/85/18/573168518.db2.gz	SGBPGLVKNOYZDC-UHFFFAOYSA-N	0	0	198.212	3.144	10	0		AGAERN
CCCCCCn1ccc([C@@H](C)O)c1	85833894	573168731	/nfs/dbraw/zinc/16/87/31/573168731.db2.gz	YVXLPQNSACBLAF-LLVKDONJSA-N	0	0	195.306	3.122	10	0		AGAERN
CC[C@H](O)c1c(C)oc2ccccc12	123760974	573168879	/nfs/dbraw/zinc/16/88/79/573168879.db2.gz	CEVMRLWUZNGKLC-JTQLQIEISA-N	0	0	190.242	3.185	10	0		AGAERN
CCc1cccc(CC(C)C)c1N	238298341	573168932	/nfs/dbraw/zinc/16/89/32/573168932.db2.gz	QZLNSSIWYRCZHD-UHFFFAOYSA-N	0	0	177.291	3.030	10	0		AGAERN
CC[C@H](O)/C(Cl)=C/c1ccccc1	238303044	573169369	/nfs/dbraw/zinc/16/93/69/573169369.db2.gz	ZODSDWRPAVVWJY-IEHMKBBKSA-N	0	0	196.677	3.037	10	0		AGAERN
C1=Cc2ccsc2C=CC1	104675135	573169176	/nfs/dbraw/zinc/16/91/76/573169176.db2.gz	FCDQRLXIFFGRAO-UHFFFAOYSA-N	0	0	148.230	3.178	10	0		AGAERN
CCc1c(O)ccc2cc(C)ccc12	238303127	573169184	/nfs/dbraw/zinc/16/91/84/573169184.db2.gz	FIAZOPBSXABNTA-UHFFFAOYSA-N	0	0	186.254	3.416	10	0		AGAERN
CC(C)C[C@@H](C)C(=O)[C@@H]1[C@H]2CCC[C@H]21	308511103	573169239	/nfs/dbraw/zinc/16/92/39/573169239.db2.gz	CBVKKIVGJCNENM-WYUUTHIRSA-N	0	0	194.318	3.284	10	0		AGAERN
FC1(F)CC(c2ccccc2)C1	115198030	573169350	/nfs/dbraw/zinc/16/93/50/573169350.db2.gz	CCIKWSAGOKYHKX-UHFFFAOYSA-N	0	0	168.186	3.199	10	0		AGAERN
Cc1c(Cl)ccc2ncccc12	104676783	573170236	/nfs/dbraw/zinc/17/02/36/573170236.db2.gz	REENZMIXZRDREE-UHFFFAOYSA-N	0	0	177.634	3.197	10	0		AGAERN
CCC[C@@H](O)[C@@H](C)c1ccccc1C	212503514	573169669	/nfs/dbraw/zinc/16/96/69/573169669.db2.gz	HGCXMXSYJFYVMN-WCQYABFASA-N	0	0	192.302	3.260	10	0		AGAERN
CC[C@]1(C)CCCC(C)(C)C1=O	238303717	573169995	/nfs/dbraw/zinc/16/99/95/573169995.db2.gz	BOFQXMZLGHQFDF-LLVKDONJSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCCCCn1cccc1[C@@H](C)O	85833207	573170109	/nfs/dbraw/zinc/17/01/09/573170109.db2.gz	VCSAWHSHKTZRLE-LLVKDONJSA-N	0	0	195.306	3.122	10	0		AGAERN
CCc1c(N)ccc2c(F)cccc12	258237729	573170036	/nfs/dbraw/zinc/17/00/36/573170036.db2.gz	POYJGSFHHHDCIH-UHFFFAOYSA-N	0	0	189.233	3.124	10	0		AGAERN
C/C=C\CC1C=CSC1=S	225605492	573170174	/nfs/dbraw/zinc/17/01/74/573170174.db2.gz	HVTFAPYTNBMHMR-IHWYPQMZSA-N	0	0	170.302	3.155	10	0		AGAERN
CC(=O)c1cc(C(C)C)c(F)cc1C	257958277	573170296	/nfs/dbraw/zinc/17/02/96/573170296.db2.gz	BRDPFWJGFZPUBY-UHFFFAOYSA-N	0	0	194.249	3.460	10	0		AGAERN
CCCC[C@@H](O)[C@@H]1CC2CCC1CC2	308508914	573171023	/nfs/dbraw/zinc/17/10/23/573171023.db2.gz	HYRJRCQMTAITSU-FIYWTHMPSA-N	0	0	196.334	3.364	10	0		AGAERN
c1ccc2nc3c(c-2cc1)CCCC3	104677751	573171026	/nfs/dbraw/zinc/17/10/26/573171026.db2.gz	DJIBQYJGYUUBJP-UHFFFAOYSA-N	0	0	183.254	3.065	10	0		AGAERN
COc1cc(C(C)C)ccc1Cl	115244394	573171335	/nfs/dbraw/zinc/17/13/35/573171335.db2.gz	YHNKBICBACEISB-UHFFFAOYSA-N	0	0	184.666	3.472	10	0		AGAERN
CCSc1cc(OC)ccc1C	238298782	573171362	/nfs/dbraw/zinc/17/13/62/573171362.db2.gz	OVWACCXUPDWZRW-UHFFFAOYSA-N	0	0	182.288	3.116	10	0		AGAERN
CC(C)CCCNc1ccc(O)cc1	308508832	573171363	/nfs/dbraw/zinc/17/13/63/573171363.db2.gz	JYOVYTRPPVKNSU-UHFFFAOYSA-N	0	0	193.290	3.240	10	0		AGAERN
CC(C)CC[C@@](O)(CC1CC1)C1CC1	308508952	573171373	/nfs/dbraw/zinc/17/13/73/573171373.db2.gz	BBZZFOHXUASTJH-CYBMUJFWSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)CCCOc1cccc(F)n1	40711350	573171772	/nfs/dbraw/zinc/17/17/72/573171772.db2.gz	GVLCQKQGBZORGY-UHFFFAOYSA-N	0	0	197.253	3.036	10	0		AGAERN
CC=C=C(c1ccccc1)[C@@H](O)CC	238303325	573171865	/nfs/dbraw/zinc/17/18/65/573171865.db2.gz	CIDIEFWXQPHZST-RLROJCQXSA-N	0	0	188.270	3.016	10	0		AGAERN
CC[C@@H](O)c1c(C)oc2ccccc12	123761132	573172009	/nfs/dbraw/zinc/17/20/09/573172009.db2.gz	CEVMRLWUZNGKLC-SNVBAGLBSA-N	0	0	190.242	3.185	10	0		AGAERN
CCSc1cccc(C)c1F	238303521	573172201	/nfs/dbraw/zinc/17/22/01/573172201.db2.gz	YYYODYOFPJHQQH-UHFFFAOYSA-N	0	0	170.252	3.246	10	0		AGAERN
CCC[C@@H](O)[C@H](C)c1ccccc1C	212503647	573172218	/nfs/dbraw/zinc/17/22/18/573172218.db2.gz	HGCXMXSYJFYVMN-DGCLKSJQSA-N	0	0	192.302	3.260	10	0		AGAERN
CC(C)CC[C@](O)(CC1CC1)C1CC1	308508953	573173574	/nfs/dbraw/zinc/17/35/74/573173574.db2.gz	BBZZFOHXUASTJH-ZDUSSCGKSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)C[C@@H](C)Oc1cccc(F)n1	40711336	573172339	/nfs/dbraw/zinc/17/23/39/573172339.db2.gz	STNJNFYOTMOZJE-SECBINFHSA-N	0	0	197.253	3.034	10	0		AGAERN
CC[C@H]1CCc2ccccc2NC1	238306722	573172960	/nfs/dbraw/zinc/17/29/60/573172960.db2.gz	QTDMJKCWNDZZPU-JTQLQIEISA-N	0	0	175.275	3.071	10	0		AGAERN
Nc1ccc(-c2ccco2)cc1Cl	123770851	573172988	/nfs/dbraw/zinc/17/29/88/573172988.db2.gz	BRPSYOSTBGNGEI-UHFFFAOYSA-N	0	0	193.633	3.182	10	0		AGAERN
CCCCSc1cccc(F)n1	40712453	573173213	/nfs/dbraw/zinc/17/32/13/573173213.db2.gz	XHSZVJMTNUDFHW-UHFFFAOYSA-N	0	0	185.267	3.113	10	0		AGAERN
CCCC[C@@H](O)[C@H]1CC2CCC1CC2	308508915	573173794	/nfs/dbraw/zinc/17/37/94/573173794.db2.gz	HYRJRCQMTAITSU-IFWUJCSASA-N	0	0	196.334	3.364	10	0		AGAERN
CCc1cccc2c1SCCC2	238304806	573173745	/nfs/dbraw/zinc/17/37/45/573173745.db2.gz	JNUTTWSCJYAORL-UHFFFAOYSA-N	0	0	178.300	3.287	10	0		AGAERN
CCCC[C@H](O)[C@@H]1CC2CCC1CC2	308508916	573173771	/nfs/dbraw/zinc/17/37/71/573173771.db2.gz	HYRJRCQMTAITSU-TUUUFIMRSA-N	0	0	196.334	3.364	10	0		AGAERN
CCc1cnc2ccccc2c1C	104675914	573173923	/nfs/dbraw/zinc/17/39/23/573173923.db2.gz	PATWMCROCFNSMF-UHFFFAOYSA-N	0	0	171.243	3.106	10	0		AGAERN
CC(=O)c1cc(C(C)C)c(F)cc1F	257958279	573174058	/nfs/dbraw/zinc/17/40/58/573174058.db2.gz	BRDRAJSFOSHICU-UHFFFAOYSA-N	0	0	198.212	3.291	10	0		AGAERN
CCSc1cccc(CC)c1O	238304076	573174091	/nfs/dbraw/zinc/17/40/91/573174091.db2.gz	LHRZEDLDSKOLIY-UHFFFAOYSA-N	0	0	182.288	3.067	10	0		AGAERN
CC[C@]1(C)CCCCCC(=O)C1	238303779	573174533	/nfs/dbraw/zinc/17/45/33/573174533.db2.gz	AQOHAMNUHTXECY-LLVKDONJSA-N	0	0	168.280	3.326	10	0		AGAERN
CCc1cc(=S)c2ccccc2[nH]1	238304072	573174365	/nfs/dbraw/zinc/17/43/65/573174365.db2.gz	YXLHBKGWWZPLMC-UHFFFAOYSA-N	0	0	189.283	3.460	10	0		AGAERN
CC(C)Nc1nccc2ccccc12	123770450	573174410	/nfs/dbraw/zinc/17/44/10/573174410.db2.gz	AUSVLMAYFBSOMX-UHFFFAOYSA-N	0	0	186.258	3.055	10	0		AGAERN
Cc1cccc2cc3ccoc3nc12	104679080	573174689	/nfs/dbraw/zinc/17/46/89/573174689.db2.gz	RNYFSHBNSYQPJM-UHFFFAOYSA-N	0	0	183.210	3.289	10	0		AGAERN
Cc1ccc2nc3occc3cc2c1	104679077	573174861	/nfs/dbraw/zinc/17/48/61/573174861.db2.gz	CEHUAUZQXFCXGX-UHFFFAOYSA-N	0	0	183.210	3.289	10	0		AGAERN
CC[C@]1(C)CCCC[C@H]1C(C)=O	238303833	573175383	/nfs/dbraw/zinc/17/53/83/573175383.db2.gz	NAROADXTPVYMEW-WDEREUQCSA-N	0	0	168.280	3.182	10	0		AGAERN
CCSc1cccc(N)c1Cl	238304964	573175008	/nfs/dbraw/zinc/17/50/08/573175008.db2.gz	VZWHFEUZIJHELB-UHFFFAOYSA-N	0	0	187.695	3.034	10	0		AGAERN
CC[C@H](C)CCC(=O)O[C@@H](C)CC	308292410	573175014	/nfs/dbraw/zinc/17/50/14/573175014.db2.gz	HZWCRFKBSVWWMI-UWVGGRQHSA-N	0	0	186.295	3.154	10	0		AGAERN
C=Cc1cccc2c1OC(C)(C)C2	82762115	573175055	/nfs/dbraw/zinc/17/50/55/573175055.db2.gz	BXHXIOAGLUCQCG-UHFFFAOYSA-N	0	0	174.243	3.043	10	0		AGAERN
C=Cc1ccc(OC)c(OC)c1Cl	82762099	573175361	/nfs/dbraw/zinc/17/53/61/573175361.db2.gz	WHIVXVFMXJNWRJ-UHFFFAOYSA-N	0	0	198.649	3.000	10	0		AGAERN
CC[C@@H]1CCCC2=C1CCC(=O)C2	238304976	573175441	/nfs/dbraw/zinc/17/54/41/573175441.db2.gz	UGXBMJSJANMUQV-SECBINFHSA-N	0	0	178.275	3.246	10	0		AGAERN
CCC[C@H](O)[C@H](C)c1ccccc1C	212503579	573175567	/nfs/dbraw/zinc/17/55/67/573175567.db2.gz	HGCXMXSYJFYVMN-YPMHNXCESA-N	0	0	192.302	3.260	10	0		AGAERN
CCn1c(C2CCCC2)cnc1Cl	258568568	573175614	/nfs/dbraw/zinc/17/56/14/573175614.db2.gz	PTEOHFHEJNJFJZ-UHFFFAOYSA-N	0	0	198.697	3.214	10	0		AGAERN
C=Cc1cc(C)sc1C	82762025	573175792	/nfs/dbraw/zinc/17/57/92/573175792.db2.gz	YLMHPYMJSYZGQV-UHFFFAOYSA-N	0	0	138.235	3.008	10	0		AGAERN
C=Cc1cccc(OC(C)C)c1	82762024	573175816	/nfs/dbraw/zinc/17/58/16/573175816.db2.gz	ZGHPIGRKLZFMBM-UHFFFAOYSA-N	0	0	162.232	3.117	10	0		AGAERN
CC[C@H](O)C1(C)C(C)=C(C)C(C)=C1C	238304933	573175967	/nfs/dbraw/zinc/17/59/67/573175967.db2.gz	OXEFGIKNYKWEOY-LBPRGKRZSA-N	0	0	194.318	3.450	10	0		AGAERN
C[C@@H]1SC=Cc2ccccc21	104680431	573176457	/nfs/dbraw/zinc/17/64/57/573176457.db2.gz	GSCWTCWJMAKLDU-QMMMGPOBSA-N	0	0	162.257	3.465	10	0		AGAERN
CCCCCCOc1cccc(F)n1	40711352	573176597	/nfs/dbraw/zinc/17/65/97/573176597.db2.gz	CPKFRSBUVSWDPK-UHFFFAOYSA-N	0	0	197.253	3.180	10	0		AGAERN
Cc1ccc2cc3ccoc3nc2c1	104680387	573176743	/nfs/dbraw/zinc/17/67/43/573176743.db2.gz	DKDRGKKUNFRQSE-UHFFFAOYSA-N	0	0	183.210	3.289	10	0		AGAERN
CC[C@@H](C)Nc1ccc(N)c(Cl)c1	123768872	573176796	/nfs/dbraw/zinc/17/67/96/573176796.db2.gz	ORXURUMFBJWART-SSDOTTSWSA-N	0	0	198.697	3.133	10	0		AGAERN
CC[C@]1(C)CCCC[C@@H]1C(C)=O	238303809	573176887	/nfs/dbraw/zinc/17/68/87/573176887.db2.gz	NAROADXTPVYMEW-GHMZBOCLSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCSc1cccc(NC)c1	259354265	573176941	/nfs/dbraw/zinc/17/69/41/573176941.db2.gz	YYPNASKVOBBSAG-UHFFFAOYSA-N	0	0	181.304	3.230	10	0		AGAERN
CC[C@H](C)Nc1ccc(N)c(Cl)c1	123769121	573176980	/nfs/dbraw/zinc/17/69/80/573176980.db2.gz	ORXURUMFBJWART-ZETCQYMHSA-N	0	0	198.697	3.133	10	0		AGAERN
CC[C@H](C)OC(=O)CC[C@H](C)CC	308292413	573177127	/nfs/dbraw/zinc/17/71/27/573177127.db2.gz	HZWCRFKBSVWWMI-ZJUUUORDSA-N	0	0	186.295	3.154	10	0		AGAERN
CC[C@]1(C)C[C@@H](C(C)C)CC1=O	238304890	573177150	/nfs/dbraw/zinc/17/71/50/573177150.db2.gz	YUFNHBIPMHSHBR-GXSJLCMTSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)c1cccc(SC(C)C)c1	82761293	573177438	/nfs/dbraw/zinc/17/74/38/573177438.db2.gz	UJBYVPMZMAYLRV-UHFFFAOYSA-N	0	0	194.299	3.390	10	0		AGAERN
CC(C)Sc1cccc([C@H](C)O)c1	82761843	573177526	/nfs/dbraw/zinc/17/75/26/573177526.db2.gz	GAJDYXHFZQQKMD-VIFPVBQESA-N	0	0	196.315	3.240	10	0		AGAERN
CCc1cc2ccccc2nc1C	104681133	573177659	/nfs/dbraw/zinc/17/76/59/573177659.db2.gz	PEGFCDKCRAAVJZ-UHFFFAOYSA-N	0	0	171.243	3.106	10	0		AGAERN
CC(C)Sc1cccc([C@@H](C)O)c1	82761842	573177963	/nfs/dbraw/zinc/17/79/63/573177963.db2.gz	GAJDYXHFZQQKMD-SECBINFHSA-N	0	0	196.315	3.240	10	0		AGAERN
C=Cc1cc(C)c(C)cc1C	82762057	573178501	/nfs/dbraw/zinc/17/85/01/573178501.db2.gz	SVGCCRAIYFQZQM-UHFFFAOYSA-N	0	0	146.233	3.255	10	0		AGAERN
CCCCCCOc1ccc(C=O)o1	85873881	573178225	/nfs/dbraw/zinc/17/82/25/573178225.db2.gz	STGXNTHDYRSSQT-UHFFFAOYSA-N	0	0	196.246	3.051	10	0		AGAERN
C=Cc1cc(Cl)c(OC)c(OC)c1	82762109	573178237	/nfs/dbraw/zinc/17/82/37/573178237.db2.gz	FAVMSTKVQHAOBG-UHFFFAOYSA-N	0	0	198.649	3.000	10	0		AGAERN
CC(=O)C1(C2CCCC2)CCCC1	258570034	573178382	/nfs/dbraw/zinc/17/83/82/573178382.db2.gz	JYCSCFBHZLDOBF-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
C[C@H]1SC=Cc2ccccc21	104680428	573178580	/nfs/dbraw/zinc/17/85/80/573178580.db2.gz	GSCWTCWJMAKLDU-MRVPVSSYSA-N	0	0	162.257	3.465	10	0		AGAERN
CC[C@H](O)C1=C(Cl)CCCCC1	238305276	573178630	/nfs/dbraw/zinc/17/86/30/573178630.db2.gz	LHDZQYQWPQRNGV-JTQLQIEISA-N	0	0	188.698	3.214	10	0		AGAERN
C=Cc1ccc(OC(C)C)cc1	82762061	573178768	/nfs/dbraw/zinc/17/87/68/573178768.db2.gz	MEPWMZKEADGNEO-UHFFFAOYSA-N	0	0	162.232	3.117	10	0		AGAERN
CC[C@H]1CC[C@@H](CC)S1	104679098	573178911	/nfs/dbraw/zinc/17/89/11/573178911.db2.gz	XQKZIDUXMNZJJF-OCAPTIKFSA-N	0	0	144.283	3.071	10	0		AGAERN
CC[C@H]1CCC[C@@](C)(CC)C1=O	238305101	573179198	/nfs/dbraw/zinc/17/91/98/573179198.db2.gz	QMDSHBORPPRVHZ-GXSJLCMTSA-N	0	0	168.280	3.182	10	0		AGAERN
CC1=Cc2ccccc2SC1	104681172	573179219	/nfs/dbraw/zinc/17/92/19/573179219.db2.gz	KFTKYAUEPJKLFE-UHFFFAOYSA-N	0	0	162.257	3.196	10	0		AGAERN
CC[C@@H](C)CCC(=O)O[C@H](C)CC	308292409	573179242	/nfs/dbraw/zinc/17/92/42/573179242.db2.gz	HZWCRFKBSVWWMI-NXEZZACHSA-N	0	0	186.295	3.154	10	0		AGAERN
CC[C@H](C)CCC(=O)O[C@H](C)CC	308292411	573179339	/nfs/dbraw/zinc/17/93/39/573179339.db2.gz	HZWCRFKBSVWWMI-VHSXEESVSA-N	0	0	186.295	3.154	10	0		AGAERN
CCSc1cccc(C(C)=O)c1	82761272	573179341	/nfs/dbraw/zinc/17/93/41/573179341.db2.gz	NDTOBYVGFZIPHC-UHFFFAOYSA-N	0	0	180.272	3.001	10	0		AGAERN
c1ccc2cn3cccc3cc2c1	104681837	573179636	/nfs/dbraw/zinc/17/96/36/573179636.db2.gz	NQXNJPJGOJJLAS-UHFFFAOYSA-N	0	0	167.211	3.093	10	0		AGAERN
CCc1cc(C)c2cnsc2c1	238305473	573179714	/nfs/dbraw/zinc/17/97/14/573179714.db2.gz	LMDGMFWCVZNDFN-UHFFFAOYSA-N	0	0	177.272	3.167	10	0		AGAERN
CCc1c(OC)ccc2sccc12	238305574	573180259	/nfs/dbraw/zinc/18/02/59/573180259.db2.gz	MMQFCGRGHGXGGM-UHFFFAOYSA-N	0	0	192.283	3.472	10	0		AGAERN
C=Cc1ncc(Cl)cc1Cl	115316901	573180347	/nfs/dbraw/zinc/18/03/47/573180347.db2.gz	WMSYKYYMJUHVNN-UHFFFAOYSA-N	0	0	174.030	3.031	10	0		AGAERN
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)C1CCCC1	717236699	573180352	/nfs/dbraw/zinc/18/03/52/573180352.db2.gz	OQEBBZCROGRZKZ-SASUGWTJSA-N	0	0	192.302	3.038	10	0		AGAERN
CCc1c(OC)ccc2ccsc12	238305489	573180537	/nfs/dbraw/zinc/18/05/37/573180537.db2.gz	DAMGDCCMHYQHMM-UHFFFAOYSA-N	0	0	192.283	3.472	10	0		AGAERN
CC[C@H](O)C1=C(C)C12CCCCC2	238305171	573181136	/nfs/dbraw/zinc/18/11/36/573181136.db2.gz	YASWSTBEWXMGPC-JTQLQIEISA-N	0	0	180.291	3.038	10	0		AGAERN
CCSc1cccc(O)c1CC	238305148	573181345	/nfs/dbraw/zinc/18/13/45/573181345.db2.gz	SIFHWPUBPWSSBZ-UHFFFAOYSA-N	0	0	182.288	3.067	10	0		AGAERN
CCc1cc(C)c2sncc2c1	238305570	573181428	/nfs/dbraw/zinc/18/14/28/573181428.db2.gz	MNWYRGFNASSDBY-UHFFFAOYSA-N	0	0	177.272	3.167	10	0		AGAERN
C/C=C\CN(C)c1cccc(C)c1	308294311	573181485	/nfs/dbraw/zinc/18/14/85/573181485.db2.gz	JFRDJYLSDYJCMU-PLNGDYQASA-N	0	0	175.275	3.007	10	0		AGAERN
CCc1ccc(Cl)c2c1C(=O)CC2	104682856	573181798	/nfs/dbraw/zinc/18/17/98/573181798.db2.gz	UKWOXFRLQZCFBD-UHFFFAOYSA-N	0	0	194.661	3.031	10	0		AGAERN
CC[C@H](O)C1=C(C)[C@H]2C[C@@H](C1)C2(C)C	238305243	573181836	/nfs/dbraw/zinc/18/18/36/573181836.db2.gz	LAMBCIRROPOARP-JLLWLGSASA-N	0	0	194.318	3.140	10	0		AGAERN
Cc1cc(F)c(NC2CCC2)cc1F	235897455	573181937	/nfs/dbraw/zinc/18/19/37/573181937.db2.gz	STJSQWPDKSSIKE-UHFFFAOYSA-N	0	0	197.228	3.238	10	0		AGAERN
CC(C)c1[nH]c(=O)sc1C(C)C	257961037	573182850	/nfs/dbraw/zinc/18/28/50/573182850.db2.gz	XJUOLSJULLXEIR-UHFFFAOYSA-N	0	0	185.292	3.096	10	0		AGAERN
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)CC1CCC1	717232839	573182221	/nfs/dbraw/zinc/18/22/21/573182221.db2.gz	BPUKXMOMTSBQGM-SASUGWTJSA-N	0	0	192.302	3.038	10	0		AGAERN
Cc1ccc2c(c1)[C@@H](C)C[C@H](C)N2	104684629	573182401	/nfs/dbraw/zinc/18/24/01/573182401.db2.gz	SMMZRQYUSQBSHS-UWVGGRQHSA-N	0	0	175.275	3.303	10	0		AGAERN
Cc1cc(F)c(NCC2CC2)cc1F	235899492	573182439	/nfs/dbraw/zinc/18/24/39/573182439.db2.gz	MXLMVNAXGSKKRW-UHFFFAOYSA-N	0	0	197.228	3.095	10	0		AGAERN
CCc1cc(C)c2[nH]ccc2c1C	238305301	573182614	/nfs/dbraw/zinc/18/26/14/573182614.db2.gz	LRBSTKMUFTTZDA-UHFFFAOYSA-N	0	0	173.259	3.347	10	0		AGAERN
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)CC1CCC1	717232837	573182627	/nfs/dbraw/zinc/18/26/27/573182627.db2.gz	BPUKXMOMTSBQGM-QTKMDUPCSA-N	0	0	192.302	3.038	10	0		AGAERN
CC[C@]1(C)C[C@H](C(C)C)CC1=O	238305406	573182695	/nfs/dbraw/zinc/18/26/95/573182695.db2.gz	YUFNHBIPMHSHBR-MWLCHTKSSA-N	0	0	168.280	3.038	10	0		AGAERN
c1coc(-c2c[nH]c3ccccc23)c1	104683656	573182855	/nfs/dbraw/zinc/18/28/55/573182855.db2.gz	PNNDDXQBCONTSX-UHFFFAOYSA-N	0	0	183.210	3.428	10	0		AGAERN
Cc1c2ccccc2nc2occc12	104683625	573182755	/nfs/dbraw/zinc/18/27/55/573182755.db2.gz	QJFDLBSNFSYLNV-UHFFFAOYSA-N	0	0	183.210	3.289	10	0		AGAERN
Cc1ccc2c(c1)[C@H](C)C[C@@H](C)N2	104684633	573185562	/nfs/dbraw/zinc/18/55/62/573185562.db2.gz	SMMZRQYUSQBSHS-NXEZZACHSA-N	0	0	175.275	3.303	10	0		AGAERN
CCSc1ccc(CC)c(O)c1	238300612	573185586	/nfs/dbraw/zinc/18/55/86/573185586.db2.gz	NQIARFSUPTZCFR-UHFFFAOYSA-N	0	0	182.288	3.067	10	0		AGAERN
CC(C)=C1CC[C@@H](C)CC(=O)C1	222741350	573184956	/nfs/dbraw/zinc/18/49/56/573184956.db2.gz	JUEULMFZCGZMBX-SECBINFHSA-N	0	0	166.264	3.102	10	0		AGAERN
CCc1cc(Cl)cc2c1C(=O)CC2	104682862	573185094	/nfs/dbraw/zinc/18/50/94/573185094.db2.gz	PALCNLSKTHBEFA-UHFFFAOYSA-N	0	0	194.661	3.031	10	0		AGAERN
CCc1c(Cl)ccc2c1C(=O)CC2	104682859	573185477	/nfs/dbraw/zinc/18/54/77/573185477.db2.gz	LBBFFGDXLSUOSM-UHFFFAOYSA-N	0	0	194.661	3.031	10	0		AGAERN
CC[C@H](C)[C@@H]1CC[C@@H](C)CC1=O	238300020	573185643	/nfs/dbraw/zinc/18/56/43/573185643.db2.gz	QSIZXATVXZYPKI-UTLUCORTSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@H](C)[C@@H]1CCC[C@@H](C)C1=O	238299926	573186522	/nfs/dbraw/zinc/18/65/22/573186522.db2.gz	PYZQOZRHRNLXRQ-AEJSXWLSSA-N	0	0	168.280	3.038	10	0		AGAERN
CCSc1ccc(C)c(OC)c1	238300032	573186150	/nfs/dbraw/zinc/18/61/50/573186150.db2.gz	IQQRJNABXSEDMB-UHFFFAOYSA-N	0	0	182.288	3.116	10	0		AGAERN
c1ccc2c(c1)Cc1ccsc1-2	104685058	573186236	/nfs/dbraw/zinc/18/62/36/573186236.db2.gz	PHHWPQOHCAZBBO-UHFFFAOYSA-N	0	0	172.252	3.319	10	0		AGAERN
CCc1c([S-])cccc1Cl	238306358	573186335	/nfs/dbraw/zinc/18/63/35/573186335.db2.gz	XVPVYQUDBLPNHE-UHFFFAOYSA-N	0	0	172.680	3.191	10	0		AGAERN
Cc1ccc2c(c1)[C@@H](C)C[C@@H](C)N2	104684636	573187130	/nfs/dbraw/zinc/18/71/30/573187130.db2.gz	SMMZRQYUSQBSHS-VHSXEESVSA-N	0	0	175.275	3.303	10	0		AGAERN
CCc1cccc2c1CCCS2	238306271	573187442	/nfs/dbraw/zinc/18/74/42/573187442.db2.gz	SVIJZFHSECQZRH-UHFFFAOYSA-N	0	0	178.300	3.287	10	0		AGAERN
CC(C)c1cc(F)cc([C@@H](C)O)c1	257962575	573187512	/nfs/dbraw/zinc/18/75/12/573187512.db2.gz	BXWZTHDYGKECBN-MRVPVSSYSA-N	0	0	182.238	3.002	10	0		AGAERN
CCc1ccccc1Cn1cccc1	82775024	573187521	/nfs/dbraw/zinc/18/75/21/573187521.db2.gz	CKWLVSSHOZKMSW-UHFFFAOYSA-N	0	0	185.270	3.099	10	0		AGAERN
CC[C@@H]1CC=Cc2ccccc2N1	238299853	573187737	/nfs/dbraw/zinc/18/77/37/573187737.db2.gz	SXVCVKFOWSLSLD-LLVKDONJSA-N	0	0	173.259	3.294	10	0		AGAERN
CC1=C(C)[C@@](C)(Cl)[C@@]1(C)Cl	90373661	573187918	/nfs/dbraw/zinc/18/79/18/573187918.db2.gz	QJHFTVCGJZFLCW-OCAPTIKFSA-N	0	0	179.090	3.331	10	0		AGAERN
CC(C)CCC[C@]1(O)C[C@H](C)[C@@H]1C	308297585	573187969	/nfs/dbraw/zinc/18/79/69/573187969.db2.gz	IWEUCWLLCVPEPB-SRVKXCTJSA-N	0	0	184.323	3.220	10	0		AGAERN
CCSc1c(C)cc(C)c(O)c1C	142213658	573188075	/nfs/dbraw/zinc/18/80/75/573188075.db2.gz	PQOLABDSRWXPLA-UHFFFAOYSA-N	0	0	196.315	3.429	10	0		AGAERN
CC/C=C\CC1(O)CCCCC1	90372598	573188316	/nfs/dbraw/zinc/18/83/16/573188316.db2.gz	WYGWHMZUOGASLR-HYXAFXHYSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC1=CC[C@@H](Cc2c[nH]cn2)CC1	142227537	573188580	/nfs/dbraw/zinc/18/85/80/573188580.db2.gz	IVAWNLCWKVLMBO-LLVKDONJSA-N	0	0	190.290	3.089	10	0		AGAERN
CC(C)CCC[C@]1(O)C[C@H](C)[C@H]1C	308297587	573188601	/nfs/dbraw/zinc/18/86/01/573188601.db2.gz	IWEUCWLLCVPEPB-TUAOUCFPSA-N	0	0	184.323	3.220	10	0		AGAERN
S=C1CSC(C2CCCC2)=N1	259360797	573188749	/nfs/dbraw/zinc/18/87/49/573188749.db2.gz	QQRGYNNXKDWEOB-UHFFFAOYSA-N	0	0	185.317	3.089	10	0		AGAERN
CCCCc1cc(F)c(O)cc1C	142127306	573189526	/nfs/dbraw/zinc/18/95/26/573189526.db2.gz	NSJVQXCUIUEDHS-UHFFFAOYSA-N	0	0	182.238	3.182	10	0		AGAERN
CC[C@H](C)Oc1cc(C)cc(C)c1	82776783	573189626	/nfs/dbraw/zinc/18/96/26/573189626.db2.gz	HSQGJIQYTVRUOI-NSHDSACASA-N	0	0	178.275	3.481	10	0		AGAERN
CCc1ccc2cccc(C)c2n1	104685429	573189636	/nfs/dbraw/zinc/18/96/36/573189636.db2.gz	PVTAJNPNIXPKLW-UHFFFAOYSA-N	0	0	171.243	3.106	10	0		AGAERN
c1ccc2[nH]c(-c3ccoc3)cc2c1	115392056	573189662	/nfs/dbraw/zinc/18/96/62/573189662.db2.gz	KHAUBPIFYZCGGD-UHFFFAOYSA-N	0	0	183.210	3.428	10	0		AGAERN
CC(C)c1cc(F)cc([C@H](C)O)c1	257962579	573189697	/nfs/dbraw/zinc/18/96/97/573189697.db2.gz	BXWZTHDYGKECBN-QMMMGPOBSA-N	0	0	182.238	3.002	10	0		AGAERN
CSCc1c[nH]c2c(F)cccc12	257962715	573189955	/nfs/dbraw/zinc/18/99/55/573189955.db2.gz	YOAGNJRGOIWABG-UHFFFAOYSA-N	0	0	195.262	3.170	10	0		AGAERN
CC(C)(C)c1ccc(SC=O)cc1	259363742	573190036	/nfs/dbraw/zinc/19/00/36/573190036.db2.gz	ZTWNYFUZPQFPKX-UHFFFAOYSA-N	0	0	194.299	3.266	10	0		AGAERN
CC[C@H](C)[C@@]1(C)CCCC(=O)C1	238302122	573190117	/nfs/dbraw/zinc/19/01/17/573190117.db2.gz	YMROHKFGKJVCTH-ONGXEEELSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H](C)Oc1cc(C)cc(C)c1	82776782	573190185	/nfs/dbraw/zinc/19/01/85/573190185.db2.gz	HSQGJIQYTVRUOI-LLVKDONJSA-N	0	0	178.275	3.481	10	0		AGAERN
C/C(=C\[C@H](C)C1CCCCC1)CO	308298760	573190724	/nfs/dbraw/zinc/19/07/24/573190724.db2.gz	ZIGNYHXFWQJHPB-UQSGXBNBSA-N	0	0	182.307	3.141	10	0		AGAERN
CC1(C)CC[C@H](C(C)(C)C)C1=O	115429285	573194990	/nfs/dbraw/zinc/19/49/90/573194990.db2.gz	YMIJSFHJUYJJEI-QMMMGPOBSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1ccc2c(C)cccc2c1O	90397546	573191172	/nfs/dbraw/zinc/19/11/72/573191172.db2.gz	WHWZJCKKJVJWBH-UHFFFAOYSA-N	0	0	172.227	3.162	10	0		AGAERN
CCC1=CC[C@H](Cc2c[nH]cn2)CC1	142227748	573190956	/nfs/dbraw/zinc/19/09/56/573190956.db2.gz	IVAWNLCWKVLMBO-NSHDSACASA-N	0	0	190.290	3.089	10	0		AGAERN
C[C@@H]1CCC[C@@H]2CC=CC[C@@H]12	142264691	573191074	/nfs/dbraw/zinc/19/10/74/573191074.db2.gz	ZJVJRONNYPEBTI-VWYCJHECSA-N	0	0	150.265	3.389	10	0		AGAERN
CC[C@H](C)[C@@]1(C)CCCCC1=O	238302131	573191134	/nfs/dbraw/zinc/19/11/34/573191134.db2.gz	PZZABECDAGBZGE-GXSJLCMTSA-N	0	0	168.280	3.182	10	0		AGAERN
C[C@H]1CC[C@@H](C)c2c(O)cccc21	142128264	573191280	/nfs/dbraw/zinc/19/12/80/573191280.db2.gz	RBYSTZJCPLLNCR-DTWKUNHWSA-N	0	0	176.259	3.393	10	0		AGAERN
CCSc1ccc(O)c(CC)c1	238301700	573191413	/nfs/dbraw/zinc/19/14/13/573191413.db2.gz	MAEAETVBDKLQAY-UHFFFAOYSA-N	0	0	182.288	3.067	10	0		AGAERN
CCc1cccc(NC(=O)SC)c1	238301615	573191483	/nfs/dbraw/zinc/19/14/83/573191483.db2.gz	UIAIFPHBHQZIQK-UHFFFAOYSA-N	0	0	195.287	3.144	10	0		AGAERN
C[C@H]1CC[C@@H](C)c2cccc(O)c21	142128464	573191830	/nfs/dbraw/zinc/19/18/30/573191830.db2.gz	RBYSTZJCPLLNCR-BDAKNGLRSA-N	0	0	176.259	3.393	10	0		AGAERN
C[C@H]([C@@H](O)c1ccccc1)C(C)(C)C	142119403	573191873	/nfs/dbraw/zinc/19/18/73/573191873.db2.gz	YCIQWGOJQSJOOV-ZYHUDNBSSA-N	0	0	192.302	3.402	10	0		AGAERN
Cc1ccc(O)c2c(F)ccc(F)c12	142191519	573192148	/nfs/dbraw/zinc/19/21/48/573192148.db2.gz	NEIOZJMGEJMYOL-UHFFFAOYSA-N	0	0	194.180	3.132	10	0		AGAERN
C[C@@H]1CC[C@@H](C)c2c(O)cccc21	142128056	573192204	/nfs/dbraw/zinc/19/22/04/573192204.db2.gz	RBYSTZJCPLLNCR-RKDXNWHRSA-N	0	0	176.259	3.393	10	0		AGAERN
CCc1c(O)ccc2c1C=C(C)CC2	238302106	573192206	/nfs/dbraw/zinc/19/22/06/573192206.db2.gz	CYBXWVQUBCDCHX-UHFFFAOYSA-N	0	0	188.270	3.304	10	0		AGAERN
COSc1ccc(Cl)c(C)c1	259363690	573192265	/nfs/dbraw/zinc/19/22/65/573192265.db2.gz	ZSZWIVSJYDWBFO-UHFFFAOYSA-N	0	0	188.679	3.302	10	0		AGAERN
CCC[C@H](C)N(C)c1ccccc1	308303375	573192452	/nfs/dbraw/zinc/19/24/52/573192452.db2.gz	NDAFRZSYIWMODW-NSHDSACASA-N	0	0	177.291	3.311	10	0		AGAERN
CC(C)[C@@H](C)Cc1ccc(O)cc1	142259546	573193339	/nfs/dbraw/zinc/19/33/39/573193339.db2.gz	RIFNDXBYSZSIAY-JTQLQIEISA-N	0	0	178.275	3.227	10	0		AGAERN
CCC[C@@H](C)N(C)c1ccccc1	308303374	573193415	/nfs/dbraw/zinc/19/34/15/573193415.db2.gz	NDAFRZSYIWMODW-LLVKDONJSA-N	0	0	177.291	3.311	10	0		AGAERN
C[C@@H]([C@H](O)c1ccccc1)C(C)(C)C	142119204	573193457	/nfs/dbraw/zinc/19/34/57/573193457.db2.gz	YCIQWGOJQSJOOV-JQWIXIFHSA-N	0	0	192.302	3.402	10	0		AGAERN
CCC(=O)[C@@H](CC)[Si](C)(C)C	238300628	573193546	/nfs/dbraw/zinc/19/35/46/573193546.db2.gz	CQINBXLHPFGCBG-SECBINFHSA-N	0	0	172.344	3.084	10	0		AGAERN
CCC(C)(C)OC(=O)CCC(C)C	308303397	573193997	/nfs/dbraw/zinc/19/39/97/573193997.db2.gz	NEKGAUHUPVYTKB-UHFFFAOYSA-N	0	0	186.295	3.154	10	0		AGAERN
Cc1ccc(Oc2ccco2)cc1	36438090	573193636	/nfs/dbraw/zinc/19/36/36/573193636.db2.gz	KQUPWFAPIFVUDK-UHFFFAOYSA-N	0	0	174.199	3.380	10	0		AGAERN
CC[C@H](C)C[C@H](O)c1[nH]cc(C)c1C	308515855	573193700	/nfs/dbraw/zinc/19/37/00/573193700.db2.gz	FFZFGYNWZRQWJJ-KWQFWETISA-N	0	0	195.306	3.101	10	0		AGAERN
C[C@@H]1CCC[C@H]2CC=CC[C@H]21	142265065	573193712	/nfs/dbraw/zinc/19/37/12/573193712.db2.gz	ZJVJRONNYPEBTI-MXWKQRLJSA-N	0	0	150.265	3.389	10	0		AGAERN
CCSc1ccc(N)cc1SC	238301541	573193901	/nfs/dbraw/zinc/19/39/01/573193901.db2.gz	KBWBMZLDZPWZKV-UHFFFAOYSA-N	0	0	199.344	3.103	10	0		AGAERN
CCCCO[C@H](C)CCCC	77921846	573195093	/nfs/dbraw/zinc/19/50/93/573195093.db2.gz	VKOPMFNQJLLQMI-SNVBAGLBSA-N	0	0	158.285	3.382	10	0		AGAERN
CC(=O)c1cccc2scc(C)c12	257966773	573196797	/nfs/dbraw/zinc/19/67/97/573196797.db2.gz	GDQGXJJAIAUVFN-UHFFFAOYSA-N	0	0	190.267	3.412	10	0		AGAERN
CCc1c(O)ccc(C(C)C)c1C	238302794	573196255	/nfs/dbraw/zinc/19/62/55/573196255.db2.gz	RKCHLKWECWNPIP-UHFFFAOYSA-N	0	0	178.275	3.386	10	0		AGAERN
CCc1cc(O)c2ccccc2c1C	238310176	573196417	/nfs/dbraw/zinc/19/64/17/573196417.db2.gz	YDEXFDDKSZHWAB-UHFFFAOYSA-N	0	0	186.254	3.416	10	0		AGAERN
CC[C@H]1CCc2c(O)ccc(Cl)c21	238310387	573196438	/nfs/dbraw/zinc/19/64/38/573196438.db2.gz	VFFHPAWRSIHNSU-ZETCQYMHSA-N	0	0	196.677	3.485	10	0		AGAERN
CCC1([C@H](O)CC2CC2)CCCC1	123819153	573196443	/nfs/dbraw/zinc/19/64/43/573196443.db2.gz	CIGMMNVZXUGTGP-LLVKDONJSA-N	0	0	182.307	3.118	10	0		AGAERN
CCc1nc2cc(C)cc(F)c2s1	238310292	573196928	/nfs/dbraw/zinc/19/69/28/573196928.db2.gz	JGFRHNLSPXUGMT-UHFFFAOYSA-N	0	0	195.262	3.306	10	0		AGAERN
CCc1nc2cc(Cl)c(C)cc2o1	238310493	573197400	/nfs/dbraw/zinc/19/74/00/573197400.db2.gz	ALCRBXFLCWICAP-UHFFFAOYSA-N	0	0	195.649	3.352	10	0		AGAERN
CC[C@@H]1CC(C)C[C@@H](CC)C1=O	238302536	573197421	/nfs/dbraw/zinc/19/74/21/573197421.db2.gz	KRKFQJKPIDPLMH-NXEZZACHSA-N	0	0	168.280	3.038	10	0		AGAERN
CCc1cc(OC)c2ccsc2c1	238310369	573197448	/nfs/dbraw/zinc/19/74/48/573197448.db2.gz	BGAWKQJXPWFEJP-UHFFFAOYSA-N	0	0	192.283	3.472	10	0		AGAERN
CCc1cc(OC)c2sccc2c1	238310504	573197891	/nfs/dbraw/zinc/19/78/91/573197891.db2.gz	QMXVIERCIBPJGW-UHFFFAOYSA-N	0	0	192.283	3.472	10	0		AGAERN
CC(C)[C@@H]1CCCC(C)(C)C1=O	115423444	573198044	/nfs/dbraw/zinc/19/80/44/573198044.db2.gz	NALNDNQPNJORHN-VIFPVBQESA-N	0	0	168.280	3.038	10	0		AGAERN
C/C=C/[C@@H](C)Nc1cccc(C)c1	224855625	573198164	/nfs/dbraw/zinc/19/81/64/573198164.db2.gz	MJAQBWLDQOQQNU-DUMNWFOQSA-N	0	0	175.275	3.372	10	0		AGAERN
CCc1nc2cc(C)c(F)cc2s1	238310213	573198233	/nfs/dbraw/zinc/19/82/33/573198233.db2.gz	PFKJHLYWQZQGKY-UHFFFAOYSA-N	0	0	195.262	3.306	10	0		AGAERN
CCc1c(O)cc(C)c2c1CCCC2	238302587	573198285	/nfs/dbraw/zinc/19/82/85/573198285.db2.gz	PXYOVZIATRPJPR-UHFFFAOYSA-N	0	0	190.286	3.142	10	0		AGAERN
C/C=C\CN(C)c1ccc(C)cc1	308306354	573198299	/nfs/dbraw/zinc/19/82/99/573198299.db2.gz	OPFOJJGDAUZXKL-PLNGDYQASA-N	0	0	175.275	3.007	10	0		AGAERN
CCc1c(O)cc(C)c(N=O)c1CC	238302562	573198491	/nfs/dbraw/zinc/19/84/91/573198491.db2.gz	NEIXOKMIYOIJKF-UHFFFAOYSA-N	0	0	193.246	3.223	10	0		AGAERN
C/C=C/[C@@H](C)Nc1ccccc1C	224855336	573198649	/nfs/dbraw/zinc/19/86/49/573198649.db2.gz	FKRQQNVJLVSUSZ-TZOMUSMUSA-N	0	0	175.275	3.372	10	0		AGAERN
Cc1cccc(-c2ccoc2C=O)c1	235947421	573201960	/nfs/dbraw/zinc/20/19/60/573201960.db2.gz	KKQVUWZWKGYUER-UHFFFAOYSA-N	0	0	186.210	3.068	10	0		AGAERN
CC(=O)C[C@@H](C)c1cc(F)ccc1F	82807203	573201996	/nfs/dbraw/zinc/20/19/96/573201996.db2.gz	HSDBGHJUYSSLJP-SSDOTTSWSA-N	0	0	198.212	3.047	10	0		AGAERN
CCc1nc2cc(F)cc(C)c2s1	238310855	573201592	/nfs/dbraw/zinc/20/15/92/573201592.db2.gz	KUXKIJULIGSDCQ-UHFFFAOYSA-N	0	0	195.262	3.306	10	0		AGAERN
CC(=O)C[C@H](C)c1ccccc1C	82807383	573201713	/nfs/dbraw/zinc/20/17/13/573201713.db2.gz	OIZWGVDRHXNKSM-JTQLQIEISA-N	0	0	176.259	3.078	10	0		AGAERN
Cc1c[nH]c2ccc(OC(F)F)cc12	235735569	573201756	/nfs/dbraw/zinc/20/17/56/573201756.db2.gz	GHSICGJDDOUHEG-UHFFFAOYSA-N	0	0	197.184	3.078	10	0		AGAERN
CC(=O)C[C@H](C)c1cc(F)ccc1F	82807201	573201834	/nfs/dbraw/zinc/20/18/34/573201834.db2.gz	HSDBGHJUYSSLJP-ZETCQYMHSA-N	0	0	198.212	3.047	10	0		AGAERN
C[C@H](CO)c1cccc(C2CCC2)c1	257968858	573201908	/nfs/dbraw/zinc/20/19/08/573201908.db2.gz	CNEXAKCEIJBNNS-SNVBAGLBSA-N	0	0	190.286	3.050	10	0		AGAERN
CCO[P@@](=O)(/C=C/Cl)CC	238311475	573202107	/nfs/dbraw/zinc/20/21/07/573202107.db2.gz	QMIOZORQRWUKDU-BRAIEQGRSA-N	0	0	182.587	3.031	10	0		AGAERN
CC(=O)C[C@H](C)c1cc(C)cc(C)c1	82807097	573202130	/nfs/dbraw/zinc/20/21/30/573202130.db2.gz	FNBMDWLRIIIRBW-NSHDSACASA-N	0	0	190.286	3.386	10	0		AGAERN
CC(=O)C[C@H](C)c1ccc(F)cc1C	82807016	573202152	/nfs/dbraw/zinc/20/21/52/573202152.db2.gz	UWUDBXRWLQKTFW-QMMMGPOBSA-N	0	0	194.249	3.217	10	0		AGAERN
CC(=O)C[C@H](C)[C@H]1CCC[C@@H](C)C1	82806889	573202197	/nfs/dbraw/zinc/20/21/97/573202197.db2.gz	AACFMLZVLVMVPS-SCVCMEIPSA-N	0	0	182.307	3.428	10	0		AGAERN
Cc1cccc2c1[C@H](C)C[C@H](C)N2	257968285	573202192	/nfs/dbraw/zinc/20/21/92/573202192.db2.gz	HYMHCNXPHYEMDJ-ZJUUUORDSA-N	0	0	175.275	3.303	10	0		AGAERN
Cc1cccc([C@H](O)[C@@H]2CC2(C)C)c1	235929776	573202269	/nfs/dbraw/zinc/20/22/69/573202269.db2.gz	CSTZUEWBUNYILK-RYUDHWBXSA-N	0	0	190.286	3.075	10	0		AGAERN
CC(=O)C[C@H](C)c1ccc(F)cc1F	82807246	573204283	/nfs/dbraw/zinc/20/42/83/573204283.db2.gz	MEEHRFTUMBXJKU-ZETCQYMHSA-N	0	0	198.212	3.047	10	0		AGAERN
CC(=O)C[C@H](C)[C@H]1CCC[C@H](C)C1	82806890	573204289	/nfs/dbraw/zinc/20/42/89/573204289.db2.gz	AACFMLZVLVMVPS-NHCYSSNCSA-N	0	0	182.307	3.428	10	0		AGAERN
CCCC1([C@H](O)CC2=CCCC2)CC1	400386991	573207184	/nfs/dbraw/zinc/20/71/84/573207184.db2.gz	KOPIOIJHJQHOBF-GFCCVEGCSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(=O)C[C@H](C)c1ccccc1Cl	82807322	573203765	/nfs/dbraw/zinc/20/37/65/573203765.db2.gz	GONJYHMZGZRBHQ-QMMMGPOBSA-N	0	0	196.677	3.423	10	0		AGAERN
CC(=O)C[C@@H](C)c1ccc(F)cc1C	82807017	573203783	/nfs/dbraw/zinc/20/37/83/573203783.db2.gz	UWUDBXRWLQKTFW-MRVPVSSYSA-N	0	0	194.249	3.217	10	0		AGAERN
CC[C@H](C)[C@H](O)c1ccc(C)cc1F	123828803	573203802	/nfs/dbraw/zinc/20/38/02/573203802.db2.gz	HYWLBCFFORFHIU-CABZTGNLSA-N	0	0	196.265	3.214	10	0		AGAERN
CC[C@H](O)[C@@H]1CC(C)=C(C)C[C@@H]1C	238311500	573203845	/nfs/dbraw/zinc/20/38/45/573203845.db2.gz	JHYHYZKAOKAPQP-TUAOUCFPSA-N	0	0	182.307	3.140	10	0		AGAERN
CC(=O)C[C@H](C)c1cccc(C)c1	82806894	573203869	/nfs/dbraw/zinc/20/38/69/573203869.db2.gz	SISOWGWDFHLSDK-JTQLQIEISA-N	0	0	176.259	3.078	10	0		AGAERN
CCc1nc2ccc(C)c(F)c2s1	238311564	573203872	/nfs/dbraw/zinc/20/38/72/573203872.db2.gz	YWXJSLMUSBINLL-UHFFFAOYSA-N	0	0	195.262	3.306	10	0		AGAERN
CC(=O)C[C@@H](C)c1cc(C)cc(C)c1	82807099	573204228	/nfs/dbraw/zinc/20/42/28/573204228.db2.gz	FNBMDWLRIIIRBW-LLVKDONJSA-N	0	0	190.286	3.386	10	0		AGAERN
CC(=O)C[C@H](C)[C@@H]1CCC[C@H](C)C1	82806893	573204235	/nfs/dbraw/zinc/20/42/35/573204235.db2.gz	AACFMLZVLVMVPS-JBLDHEPKSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)C[C@@H](C)C1CCCCC1	82807143	573204258	/nfs/dbraw/zinc/20/42/58/573204258.db2.gz	DVMBHJQPRSUZSU-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1c(Cl)n(C)c2ccc(F)cc12	257969226	573204268	/nfs/dbraw/zinc/20/42/68/573204268.db2.gz	NTEQGOQKCJDOFO-UHFFFAOYSA-N	0	0	197.640	3.279	10	0		AGAERN
CC(=O)C[C@@H](C)c1ccc(F)c(F)c1	82806922	573204398	/nfs/dbraw/zinc/20/43/98/573204398.db2.gz	AREUWEOAFAGIQF-SSDOTTSWSA-N	0	0	198.212	3.047	10	0		AGAERN
CC[C@@H](C)c1ccc(C(=O)OC)s1	259371148	573204426	/nfs/dbraw/zinc/20/44/26/573204426.db2.gz	JHAYIVNEGULEAB-SSDOTTSWSA-N	0	0	198.287	3.048	10	0		AGAERN
CC(=O)C[C@@H](C)c1ccccc1Cl	82807324	573204427	/nfs/dbraw/zinc/20/44/27/573204427.db2.gz	GONJYHMZGZRBHQ-MRVPVSSYSA-N	0	0	196.677	3.423	10	0		AGAERN
Cc1cccc2c1[C@@H](C)C[C@H](C)N2	257968282	573204527	/nfs/dbraw/zinc/20/45/27/573204527.db2.gz	HYMHCNXPHYEMDJ-UWVGGRQHSA-N	0	0	175.275	3.303	10	0		AGAERN
CC[C@H](O)[C@@H]1CCC(C)=CC1(C)C	238311637	573204533	/nfs/dbraw/zinc/20/45/33/573204533.db2.gz	NIRNIAPBUQPCDY-QWRGUYRKSA-N	0	0	182.307	3.140	10	0		AGAERN
CCC[C@H](C)Oc1cnn(C(C)C)c1	233343338	573206129	/nfs/dbraw/zinc/20/61/29/573206129.db2.gz	LJKPWDSGFMNEBG-JTQLQIEISA-N	0	0	196.294	3.031	10	0		AGAERN
CC(=O)C[C@H](C)CCC(C)(C)C	82806944	573206140	/nfs/dbraw/zinc/20/61/40/573206140.db2.gz	YJAMTHNYEKAFON-SECBINFHSA-N	0	0	170.296	3.428	10	0		AGAERN
CC(=O)C[C@H](C)c1cc(F)ccc1C	82807063	573206173	/nfs/dbraw/zinc/20/61/73/573206173.db2.gz	ZFVWNPJJFRXJSF-VIFPVBQESA-N	0	0	194.249	3.217	10	0		AGAERN
CC(=O)C[C@@H](C)c1c(F)cccc1F	82807299	573206212	/nfs/dbraw/zinc/20/62/12/573206212.db2.gz	DZPJVOIRCFTPMV-SSDOTTSWSA-N	0	0	198.212	3.047	10	0		AGAERN
CC[C@]12CCCC=C1CCC(=O)C2	238313475	573206442	/nfs/dbraw/zinc/20/64/42/573206442.db2.gz	HZXQMZQYAFKSER-GFCCVEGCSA-N	0	0	178.275	3.246	10	0		AGAERN
Cc1c(Cl)[nH]c2cccc(F)c12	257964413	573206460	/nfs/dbraw/zinc/20/64/60/573206460.db2.gz	NLCDUFGJXJAYBG-UHFFFAOYSA-N	0	0	183.613	3.269	10	0		AGAERN
Cc1ccc(N)c(SCC(C)C)c1	85930370	573206495	/nfs/dbraw/zinc/20/64/95/573206495.db2.gz	MHZKSFUJXAESDA-UHFFFAOYSA-N	0	0	195.331	3.325	10	0		AGAERN
CNc1ccc(C2=CCCC2)cc1	238312822	573206499	/nfs/dbraw/zinc/20/64/99/573206499.db2.gz	FGIQQIIFTRRDMJ-UHFFFAOYSA-N	0	0	173.259	3.296	10	0		AGAERN
C/C=C/CSc1cc(N)ccc1C	85934813	573207845	/nfs/dbraw/zinc/20/78/45/573207845.db2.gz	NVZJKKGOXYMEJZ-ONEGZZNKSA-N	0	0	193.315	3.245	10	0		AGAERN
CCc1cc(C)cc(C2CC2)c1C=O	115600102	573206736	/nfs/dbraw/zinc/20/67/36/573206736.db2.gz	GYYROFPEPIVWGO-UHFFFAOYSA-N	0	0	188.270	3.247	10	0		AGAERN
Cc1cccc([C@H](C)C[C@@H](C)O)c1C	82812276	573207884	/nfs/dbraw/zinc/20/78/84/573207884.db2.gz	ASXZXJLVNBSKME-GHMZBOCLSA-N	0	0	192.302	3.178	10	0		AGAERN
CSCc1cc2ccc(F)cc2o1	257964245	573207850	/nfs/dbraw/zinc/20/78/50/573207850.db2.gz	IDCGTIGNVWFDAJ-UHFFFAOYSA-N	0	0	196.246	3.435	10	0		AGAERN
Cc1cccc(SCC(C)C)c1N	85936786	573206865	/nfs/dbraw/zinc/20/68/65/573206865.db2.gz	GAUFAKQRCAYHQH-UHFFFAOYSA-N	0	0	195.331	3.325	10	0		AGAERN
Cc1cc(C)cc([C@@H](C)C[C@H](C)O)c1	82812077	573207006	/nfs/dbraw/zinc/20/70/06/573207006.db2.gz	LQUPTXDICVMKEP-RYUDHWBXSA-N	0	0	192.302	3.178	10	0		AGAERN
Cc1cc(C)cc([C@H](C)C[C@@H](C)O)c1	82812074	573207068	/nfs/dbraw/zinc/20/70/68/573207068.db2.gz	LQUPTXDICVMKEP-VXGBXAGGSA-N	0	0	192.302	3.178	10	0		AGAERN
C[C@@H](O)C[C@@H](C)c1ccc(Cl)cc1	82811284	573207108	/nfs/dbraw/zinc/20/71/08/573207108.db2.gz	LCOFJOSDHRVVCK-RKDXNWHRSA-N	0	0	198.693	3.214	10	0		AGAERN
C[C@H](O)C[C@@H](C)c1ccc(Cl)cc1	82811288	573207143	/nfs/dbraw/zinc/20/71/43/573207143.db2.gz	LCOFJOSDHRVVCK-BDAKNGLRSA-N	0	0	198.693	3.214	10	0		AGAERN
CC(C)CSc1ccc(N)c(F)c1	85935592	573207223	/nfs/dbraw/zinc/20/72/23/573207223.db2.gz	LPWXINWYODNIJF-UHFFFAOYSA-N	0	0	199.294	3.156	10	0		AGAERN
CC(C)=CCC[C@@H](C)C1=C[C@H](O)CC1	238411426	573207321	/nfs/dbraw/zinc/20/73/21/573207321.db2.gz	YXHWONIKNVINJJ-DGCLKSJQSA-N	0	0	194.318	3.450	10	0		AGAERN
Cc1cc2ccc([C@@H](C)O)cc2s1	257964416	573207374	/nfs/dbraw/zinc/20/73/74/573207374.db2.gz	GALDDPMPEHXATR-MRVPVSSYSA-N	0	0	192.283	3.263	10	0		AGAERN
Nc1cccc(SCC2CCC2)c1	85927489	573207378	/nfs/dbraw/zinc/20/73/78/573207378.db2.gz	ONSIGFCURLUHNK-UHFFFAOYSA-N	0	0	193.315	3.161	10	0		AGAERN
Cc1ccc([C@@H](C)C[C@@H](C)O)c(C)c1	82812297	573207430	/nfs/dbraw/zinc/20/74/30/573207430.db2.gz	UOLAVBLEYHFNMA-NWDGAFQWSA-N	0	0	192.302	3.178	10	0		AGAERN
CCCSc1cccc(C)c1N	85937289	573207451	/nfs/dbraw/zinc/20/74/51/573207451.db2.gz	DIZGUTGIHLJWLK-UHFFFAOYSA-N	0	0	181.304	3.079	10	0		AGAERN
C/C=C/CSc1cc(F)ccc1N	85932798	573207458	/nfs/dbraw/zinc/20/74/58/573207458.db2.gz	YVSVPFLAJQIFFF-NSCUHMNNSA-N	0	0	197.278	3.076	10	0		AGAERN
CC[C@H](C)Sc1cc(C)ccc1N	85930669	573207467	/nfs/dbraw/zinc/20/74/67/573207467.db2.gz	IREBYHVQFCECSS-VIFPVBQESA-N	0	0	195.331	3.468	10	0		AGAERN
CC[C@@H](C)CC(C)(C)CC(C)=O	82816245	573207607	/nfs/dbraw/zinc/20/76/07/573207607.db2.gz	SHTIZKQPLYTQBT-SECBINFHSA-N	0	0	170.296	3.428	10	0		AGAERN
C[C@H](O)C[C@@H](C)c1cccc(Cl)c1	82811657	573207730	/nfs/dbraw/zinc/20/77/30/573207730.db2.gz	CKTWDOXEXYMJOZ-BDAKNGLRSA-N	0	0	198.693	3.214	10	0		AGAERN
Cc1ccc(F)c([C@H](C)C[C@@H](C)O)c1	82811997	573207656	/nfs/dbraw/zinc/20/76/56/573207656.db2.gz	ODCRGUDJTXBDAC-NXEZZACHSA-N	0	0	196.265	3.009	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1c(C)oc(C)c1C	123838687	573207659	/nfs/dbraw/zinc/20/76/59/573207659.db2.gz	RJWWIWQXEJBCCK-JMCQJSRRSA-N	0	0	196.290	3.284	10	0		AGAERN
Cc1ccc(F)cc1[C@@H](C)C[C@H](C)O	82811865	573211478	/nfs/dbraw/zinc/21/14/78/573211478.db2.gz	FGNMDYPCTUXXMR-UWVGGRQHSA-N	0	0	196.265	3.009	10	0		AGAERN
Cc1ccc(C)c([C@@H](C)C[C@@H](C)O)c1	82811340	573211335	/nfs/dbraw/zinc/21/13/35/573211335.db2.gz	ZSSYPUUGZWFGEF-NWDGAFQWSA-N	0	0	192.302	3.178	10	0		AGAERN
Cc1cc(F)ccc1[C@@H](C)C[C@@H](C)O	82811987	573209438	/nfs/dbraw/zinc/20/94/38/573209438.db2.gz	LAHRVSVNZZPPHB-WCBMZHEXSA-N	0	0	196.265	3.009	10	0		AGAERN
Cc1cc(SCC2CC2)ccc1N	85931969	573209460	/nfs/dbraw/zinc/20/94/60/573209460.db2.gz	AMPYWDOJVPEYNF-UHFFFAOYSA-N	0	0	193.315	3.079	10	0		AGAERN
C[C@@H](O)C[C@@H](C)c1cccc(Cl)c1	82811653	573209538	/nfs/dbraw/zinc/20/95/38/573209538.db2.gz	CKTWDOXEXYMJOZ-RKDXNWHRSA-N	0	0	198.693	3.214	10	0		AGAERN
Cc1cccc(SC(C)C)c1N	85937207	573209613	/nfs/dbraw/zinc/20/96/13/573209613.db2.gz	OANLGJPGZPZCIC-UHFFFAOYSA-N	0	0	181.304	3.078	10	0		AGAERN
Cc1ccc(N)c(SC(C)C)c1	85930895	573209631	/nfs/dbraw/zinc/20/96/31/573209631.db2.gz	AIPJFDXGBILJON-UHFFFAOYSA-N	0	0	181.304	3.078	10	0		AGAERN
C/C=C/CSc1ccc(N)c(F)c1	85935624	573211488	/nfs/dbraw/zinc/21/14/88/573211488.db2.gz	UUANSPRSCIKCAF-NSCUHMNNSA-N	0	0	197.278	3.076	10	0		AGAERN
C[C@@H](CCC(C)(C)C)C[C@@H](C)O	82811411	573209693	/nfs/dbraw/zinc/20/96/93/573209693.db2.gz	JMBRDIQSMKTPNB-VHSXEESVSA-N	0	0	172.312	3.220	10	0		AGAERN
CCc1cc2c(s1)SCCCN2	238313055	573209744	/nfs/dbraw/zinc/20/97/44/573209744.db2.gz	STOFBPCWVACFKH-UHFFFAOYSA-N	0	0	199.344	3.218	10	0		AGAERN
Cc1cccc([C@@H](C)C[C@H](C)O)c1C	82812277	573209769	/nfs/dbraw/zinc/20/97/69/573209769.db2.gz	ASXZXJLVNBSKME-QWRGUYRKSA-N	0	0	192.302	3.178	10	0		AGAERN
CC[C@]12CCCCC1=CCC(=O)C2	238313512	573209777	/nfs/dbraw/zinc/20/97/77/573209777.db2.gz	LCLLLBNZCGZFCQ-GFCCVEGCSA-N	0	0	178.275	3.246	10	0		AGAERN
C/C=C\COc1ccc(SC)cc1	308308683	573209795	/nfs/dbraw/zinc/20/97/95/573209795.db2.gz	PQBQOLWPEKWTJS-ARJAWSKDSA-N	0	0	194.299	3.363	10	0		AGAERN
Nc1cccc(SCCC2CC2)c1	85928266	573209847	/nfs/dbraw/zinc/20/98/47/573209847.db2.gz	CYRTUHRMQYTIHZ-UHFFFAOYSA-N	0	0	193.315	3.161	10	0		AGAERN
Cc1cc(F)ccc1[C@@H](C)C[C@H](C)O	82811990	573209871	/nfs/dbraw/zinc/20/98/71/573209871.db2.gz	LAHRVSVNZZPPHB-WPRPVWTQSA-N	0	0	196.265	3.009	10	0		AGAERN
Cc1c(N)cccc1SCC1CC1	85934028	573209946	/nfs/dbraw/zinc/20/99/46/573209946.db2.gz	FYPFFSCRPTZJCG-UHFFFAOYSA-N	0	0	193.315	3.079	10	0		AGAERN
Cc1ccc(N)c(SCC2CC2)c1	85930471	573209992	/nfs/dbraw/zinc/20/99/92/573209992.db2.gz	MNHJCMBCRKUNJY-UHFFFAOYSA-N	0	0	193.315	3.079	10	0		AGAERN
Cc1ccc(C)c([C@@H](C)C[C@H](C)O)c1	82811343	573209994	/nfs/dbraw/zinc/20/99/94/573209994.db2.gz	ZSSYPUUGZWFGEF-RYUDHWBXSA-N	0	0	192.302	3.178	10	0		AGAERN
Cc1cc(F)ccc1[C@H](C)C[C@H](C)O	82811992	573210090	/nfs/dbraw/zinc/21/00/90/573210090.db2.gz	LAHRVSVNZZPPHB-SCZZXKLOSA-N	0	0	196.265	3.009	10	0		AGAERN
Cc1ccc([C@H](C)C[C@H](C)O)c(C)c1	82812301	573210159	/nfs/dbraw/zinc/21/01/59/573210159.db2.gz	UOLAVBLEYHFNMA-NEPJUHHUSA-N	0	0	192.302	3.178	10	0		AGAERN
CC[C@@H](C)CC(=O)OC(C)(C)CC	308308561	573210171	/nfs/dbraw/zinc/21/01/71/573210171.db2.gz	PRSRQBPEFUZWKI-SECBINFHSA-N	0	0	186.295	3.154	10	0		AGAERN
Cc1ccc(F)c([C@@H](C)C[C@H](C)O)c1	82811998	573210193	/nfs/dbraw/zinc/21/01/93/573210193.db2.gz	ODCRGUDJTXBDAC-UWVGGRQHSA-N	0	0	196.265	3.009	10	0		AGAERN
CC(=O)CC(C)(C)c1ccccc1C	82816241	573210240	/nfs/dbraw/zinc/21/02/40/573210240.db2.gz	HRULOAULAPFYCV-UHFFFAOYSA-N	0	0	190.286	3.252	10	0		AGAERN
CCCCCC[C@H](O)[C@@H]1CC1(C)C	232964004	573210302	/nfs/dbraw/zinc/21/03/02/573210302.db2.gz	FBWSTRLSXNTWEG-QWRGUYRKSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H](O)C[C@H](C)c1ccc(Cl)cc1	82811286	573210381	/nfs/dbraw/zinc/21/03/81/573210381.db2.gz	LCOFJOSDHRVVCK-IUCAKERBSA-N	0	0	198.693	3.214	10	0		AGAERN
Cc1ccc([C@@H](C)C[C@H](C)O)cc1C	82812270	573210468	/nfs/dbraw/zinc/21/04/68/573210468.db2.gz	JSFLRIIXQBRMOD-RYUDHWBXSA-N	0	0	192.302	3.178	10	0		AGAERN
C/C=C/CSc1cccc(C)c1N	85936821	573210480	/nfs/dbraw/zinc/21/04/80/573210480.db2.gz	HRKSSUZCBRJMEJ-ONEGZZNKSA-N	0	0	193.315	3.245	10	0		AGAERN
Cc1cc([C@H](C)C[C@H](C)O)ccc1F	82811401	573210556	/nfs/dbraw/zinc/21/05/56/573210556.db2.gz	COLLHKIOWFDJGG-SCZZXKLOSA-N	0	0	196.265	3.009	10	0		AGAERN
CC[C@H](C)CC(=O)OC(C)(C)CC	308308563	573210669	/nfs/dbraw/zinc/21/06/69/573210669.db2.gz	PRSRQBPEFUZWKI-VIFPVBQESA-N	0	0	186.295	3.154	10	0		AGAERN
CC(=O)CC(C)(C)c1cccc(C)c1	82816134	573210671	/nfs/dbraw/zinc/21/06/71/573210671.db2.gz	KIZGRVWKOMFGGR-UHFFFAOYSA-N	0	0	190.286	3.252	10	0		AGAERN
Cc1ccc(F)cc1[C@H](C)C[C@H](C)O	82811868	573210733	/nfs/dbraw/zinc/21/07/33/573210733.db2.gz	FGNMDYPCTUXXMR-ZJUUUORDSA-N	0	0	196.265	3.009	10	0		AGAERN
CC[C@@H](C)Sc1cccc(C)c1N	85937026	573210741	/nfs/dbraw/zinc/21/07/41/573210741.db2.gz	IYARDZKTCLAXFC-SECBINFHSA-N	0	0	195.331	3.468	10	0		AGAERN
CCc1cccc2c(C=O)csc12	238307402	573210955	/nfs/dbraw/zinc/21/09/55/573210955.db2.gz	PNCLSDRTHWKFJK-UHFFFAOYSA-N	0	0	190.267	3.276	10	0		AGAERN
Cc1cc([C@@H](C)C[C@@H](C)O)ccc1F	82811395	573210791	/nfs/dbraw/zinc/21/07/91/573210791.db2.gz	COLLHKIOWFDJGG-WCBMZHEXSA-N	0	0	196.265	3.009	10	0		AGAERN
Cc1ccc(/C=C/[C@H](C)O)cc1Cl	235536310	573210803	/nfs/dbraw/zinc/21/08/03/573210803.db2.gz	ABTYORJZUXVMGB-DNQSNQRASA-N	0	0	196.677	3.042	10	0		AGAERN
CCC(C)(C)c1ccc(O)c(NC)c1	115700073	573210813	/nfs/dbraw/zinc/21/08/13/573210813.db2.gz	UVMOODVLVWRFSA-UHFFFAOYSA-N	0	0	193.290	3.122	10	0		AGAERN
Cc1ccc(F)c([C@@H](C)C[C@@H](C)O)c1	82811995	573211025	/nfs/dbraw/zinc/21/10/25/573211025.db2.gz	ODCRGUDJTXBDAC-VHSXEESVSA-N	0	0	196.265	3.009	10	0		AGAERN
Cc1cc([C@H](C)C[C@@H](C)O)ccc1F	82811396	573211069	/nfs/dbraw/zinc/21/10/69/573211069.db2.gz	COLLHKIOWFDJGG-PSASIEDQSA-N	0	0	196.265	3.009	10	0		AGAERN
C/C=C/CSc1cc(C)ccc1N	85930409	573211091	/nfs/dbraw/zinc/21/10/91/573211091.db2.gz	YZRSZKJJUYOWRU-ONEGZZNKSA-N	0	0	193.315	3.245	10	0		AGAERN
Cc1ccc(F)cc1[C@@H](C)C[C@@H](C)O	82811861	573211148	/nfs/dbraw/zinc/21/11/48/573211148.db2.gz	FGNMDYPCTUXXMR-VHSXEESVSA-N	0	0	196.265	3.009	10	0		AGAERN
Cc1ccc(C(C)C)cc1C[C@H](C)O	257971020	573211152	/nfs/dbraw/zinc/21/11/52/573211152.db2.gz	CUXPCDLINZLFAY-NSHDSACASA-N	0	0	192.302	3.042	10	0		AGAERN
Cc1ccc(Cc2cccc(C)c2)nc1	308886047	573211190	/nfs/dbraw/zinc/21/11/90/573211190.db2.gz	GCYHAISRIJNQAE-UHFFFAOYSA-N	0	0	197.281	3.289	10	0		AGAERN
Cc1ccc(F)cc1[C@H](C)C[C@@H](C)O	82811863	573211201	/nfs/dbraw/zinc/21/12/01/573211201.db2.gz	FGNMDYPCTUXXMR-NXEZZACHSA-N	0	0	196.265	3.009	10	0		AGAERN
Cc1ccc(C)c([C@H](C)C[C@@H](C)O)c1	82811342	573211211	/nfs/dbraw/zinc/21/12/11/573211211.db2.gz	ZSSYPUUGZWFGEF-VXGBXAGGSA-N	0	0	192.302	3.178	10	0		AGAERN
C[C@H]1CC(C)(C)C[C@@H]1NOC(C)(C)C	235539141	573211272	/nfs/dbraw/zinc/21/12/72/573211272.db2.gz	VSITXVHRMZGSPY-UWVGGRQHSA-N	0	0	199.338	3.131	10	0		AGAERN
Cc1cccc([C@H](C)C[C@H](C)O)c1C	82812280	573211273	/nfs/dbraw/zinc/21/12/73/573211273.db2.gz	ASXZXJLVNBSKME-MNOVXSKESA-N	0	0	192.302	3.178	10	0		AGAERN
CCc1cc(CC)c2cc[nH]c2c1	238307442	573211314	/nfs/dbraw/zinc/21/13/14/573211314.db2.gz	ZEXFSWNOQUYSGQ-UHFFFAOYSA-N	0	0	173.259	3.293	10	0		AGAERN
Cc1ccc(N)cc1SCC1CC1	85934853	573211367	/nfs/dbraw/zinc/21/13/67/573211367.db2.gz	GHXLMFHGOQZCHP-UHFFFAOYSA-N	0	0	193.315	3.079	10	0		AGAERN
Cc1cc(F)ccc1[C@H](C)C[C@@H](C)O	82811988	573211469	/nfs/dbraw/zinc/21/14/69/573211469.db2.gz	LAHRVSVNZZPPHB-PSASIEDQSA-N	0	0	196.265	3.009	10	0		AGAERN
CC[C@H]1CC[C@@H](C)C[C@@H]1C(C)=O	238307390	573213385	/nfs/dbraw/zinc/21/33/85/573213385.db2.gz	YDCMHWWPAXVMMO-DVVUODLYSA-N	0	0	168.280	3.038	10	0		AGAERN
O=C1CC[C@@H](SCC2CCCC2)C1	82819887	573213568	/nfs/dbraw/zinc/21/35/68/573213568.db2.gz	BKGIAXLVMSEAGE-LLVKDONJSA-N	0	0	198.331	3.031	10	0		AGAERN
CCc1c[nH]c(C(C)(C)C)c1CC	238307043	573213619	/nfs/dbraw/zinc/21/36/19/573213619.db2.gz	JPUMJOUHUOSAHP-UHFFFAOYSA-N	0	0	179.307	3.437	10	0		AGAERN
Cc1cccc(CC(C)(C)C)c1N	257972005	573213687	/nfs/dbraw/zinc/21/36/87/573213687.db2.gz	YSMRDNMOAHTDPH-UHFFFAOYSA-N	0	0	177.291	3.166	10	0		AGAERN
CC[C@H](C)CC(=O)O[C@@H](C)C(C)C	308308895	573213779	/nfs/dbraw/zinc/21/37/79/573213779.db2.gz	PYQDKPILQQLJEW-UWVGGRQHSA-N	0	0	186.295	3.010	10	0		AGAERN
CC[C@H](C)S[C@@H]1CCCC(=O)C1	82818380	573214207	/nfs/dbraw/zinc/21/42/07/573214207.db2.gz	ZQVGMUZEXFHFAU-WCBMZHEXSA-N	0	0	186.320	3.030	10	0		AGAERN
Cc1ccccc1C(C)(C)C[C@@H](C)O	82817196	573214216	/nfs/dbraw/zinc/21/42/16/573214216.db2.gz	QTZNGLNGDVFSFG-LLVKDONJSA-N	0	0	192.302	3.044	10	0		AGAERN
CCc1c[nH]c2c(C)c(F)ccc12	238307594	573214804	/nfs/dbraw/zinc/21/48/04/573214804.db2.gz	IQNVEUPIJQBJIR-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
CCc1c[nH]c2ccc(C)c(OC)c12	238308711	573215924	/nfs/dbraw/zinc/21/59/24/573215924.db2.gz	CHTSTRYESORCFA-UHFFFAOYSA-N	0	0	189.258	3.047	10	0		AGAERN
CC[C@H](O)C[C@@H]1CC=C(C)C1(C)C	238308498	573215897	/nfs/dbraw/zinc/21/58/97/573215897.db2.gz	FTRJMSPNNNASOM-QWRGUYRKSA-N	0	0	182.307	3.140	10	0		AGAERN
CC[C@@H](C)S[C@@H]1CCCC(=O)C1	82818379	573215723	/nfs/dbraw/zinc/21/57/23/573215723.db2.gz	ZQVGMUZEXFHFAU-PSASIEDQSA-N	0	0	186.320	3.030	10	0		AGAERN
OCCCC/C=C\c1cccc(F)c1	214188032	573215846	/nfs/dbraw/zinc/21/58/46/573215846.db2.gz	GQFVQMWIUVFVEI-UTCJRWHESA-N	0	0	194.249	3.002	10	0		AGAERN
CCc1c[nH]c2c(OC)cc(C)cc12	238308242	573215943	/nfs/dbraw/zinc/21/59/43/573215943.db2.gz	GSVMYXNZMBCKGJ-UHFFFAOYSA-N	0	0	189.258	3.047	10	0		AGAERN
CCc1nc2c(C)c(F)ccc2s1	238308793	573216000	/nfs/dbraw/zinc/21/60/00/573216000.db2.gz	CMUXTOMMPSIANV-UHFFFAOYSA-N	0	0	195.262	3.306	10	0		AGAERN
Cc1cccc(C(C)(C)C[C@@H](C)O)c1	82817106	573216255	/nfs/dbraw/zinc/21/62/55/573216255.db2.gz	KNBHMIBTBDNPRJ-LLVKDONJSA-N	0	0	192.302	3.044	10	0		AGAERN
CCc1c[nH]c2cc(F)c(C)cc12	238308489	573216266	/nfs/dbraw/zinc/21/62/66/573216266.db2.gz	RQCJXFNPWHCRDV-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
O=C1CC[C@H](SCC2CCCC2)C1	82819888	573216347	/nfs/dbraw/zinc/21/63/47/573216347.db2.gz	BKGIAXLVMSEAGE-NSHDSACASA-N	0	0	198.331	3.031	10	0		AGAERN
CCc1c[nH]c2cc(F)c(F)cc12	238308506	573216666	/nfs/dbraw/zinc/21/66/66/573216666.db2.gz	DFDZRJJVQPGXBQ-UHFFFAOYSA-N	0	0	181.185	3.009	10	0		AGAERN
C/C=C(/CC)C(=O)OC(C)(C)CC	308317082	573216507	/nfs/dbraw/zinc/21/65/07/573216507.db2.gz	WEHVFYLICIXWGM-TWGQIWQCSA-N	0	0	184.279	3.075	10	0		AGAERN
CCc1cc2cc(OC)ccc2o1	115753120	573216627	/nfs/dbraw/zinc/21/66/27/573216627.db2.gz	VIZUAGSUVKDYCJ-UHFFFAOYSA-N	0	0	176.215	3.004	10	0		AGAERN
CC[C@@]1(C)C(=O)[C@@H](C)CC[C@@H]1C	238308204	573216639	/nfs/dbraw/zinc/21/66/39/573216639.db2.gz	SXKNOPSXMGMWQG-ATZCPNFKSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1nccn1C1C[C@@H](C)C[C@H](C)C1	82833887	573217965	/nfs/dbraw/zinc/21/79/65/573217965.db2.gz	ZUYJJLOTVATBEZ-UWVGGRQHSA-N	0	0	192.306	3.189	10	0		AGAERN
C[C@H]1CC(C(=O)C2CC2)C[C@H](C)C1	82833267	573217681	/nfs/dbraw/zinc/21/76/81/573217681.db2.gz	ZXJZLSMWCXQSNW-RKDXNWHRSA-N	0	0	180.291	3.038	10	0		AGAERN
C[C@H]1CC(n2cccc2)C[C@H](C)C1	82833882	573217688	/nfs/dbraw/zinc/21/76/88/573217688.db2.gz	BKZIBZYIYJLCKC-GHMZBOCLSA-N	0	0	177.291	3.485	10	0		AGAERN
CCc1c[nH]c2c(C)c(OC)ccc12	238307632	573217750	/nfs/dbraw/zinc/21/77/50/573217750.db2.gz	TZIXXEKKBWJAJB-UHFFFAOYSA-N	0	0	189.258	3.047	10	0		AGAERN
Cc1ccccc1-c1[nH]ccc1F	115729565	573218613	/nfs/dbraw/zinc/21/86/13/573218613.db2.gz	WBBGLNHLTIWUDB-UHFFFAOYSA-N	0	0	175.206	3.129	10	0		AGAERN
C[C@H]1C[C@H](C)CC(O)(C2CCCC2)C1	82831727	573218655	/nfs/dbraw/zinc/21/86/55/573218655.db2.gz	WWOVJMPURICPDW-QWRGUYRKSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@H](O)C[C@H]1CC=C(C)C1(C)C	238308834	573218699	/nfs/dbraw/zinc/21/86/99/573218699.db2.gz	FTRJMSPNNNASOM-MNOVXSKESA-N	0	0	182.307	3.140	10	0		AGAERN
CCc1c[nH]c2cc(F)cc(F)c12	238308559	573218706	/nfs/dbraw/zinc/21/87/06/573218706.db2.gz	UIFPXAFABSHBLX-UHFFFAOYSA-N	0	0	181.185	3.009	10	0		AGAERN
C/C=C(\CC)C(=O)OC(C)(C)CC	308317080	573219491	/nfs/dbraw/zinc/21/94/91/573219491.db2.gz	WEHVFYLICIXWGM-RMKNXTFCSA-N	0	0	184.279	3.075	10	0		AGAERN
C[C@H]1CC([C@@H]2CCC(=O)C2)C[C@H](C)C1	82833947	573219554	/nfs/dbraw/zinc/21/95/54/573219554.db2.gz	HBLUIMKGLPOVPN-GMTAPVOTSA-N	0	0	194.318	3.428	10	0		AGAERN
CC[C@H](C)C1CCC([C@H](C)O)CC1	238308672	573219600	/nfs/dbraw/zinc/21/96/00/573219600.db2.gz	QCSQWBVWOOPNCU-JYBOHDQNSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C(=O)C1C[C@H](C)C[C@@H](C)C1	82833255	573219643	/nfs/dbraw/zinc/21/96/43/573219643.db2.gz	HVXFAOVHJAJSAQ-NXEZZACHSA-N	0	0	182.307	3.284	10	0		AGAERN
CCO[P@](=O)(/C=C/Cl)CC	238308041	573219691	/nfs/dbraw/zinc/21/96/91/573219691.db2.gz	QMIOZORQRWUKDU-PORFMDCZSA-N	0	0	182.587	3.031	10	0		AGAERN
C[C@@H]1CC(C(=O)C2CC2)C[C@@H](C)C1	82833266	573219718	/nfs/dbraw/zinc/21/97/18/573219718.db2.gz	ZXJZLSMWCXQSNW-IUCAKERBSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(C)C(=O)C1C[C@@H](C)C[C@H](C)C1	82833254	573219783	/nfs/dbraw/zinc/21/97/83/573219783.db2.gz	HVXFAOVHJAJSAQ-UWVGGRQHSA-N	0	0	182.307	3.284	10	0		AGAERN
CCc1c[nH]c2c(F)c(C)ccc12	238307833	573219842	/nfs/dbraw/zinc/21/98/42/573219842.db2.gz	BNFSXGTYNQMHKT-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
C[C@@H]1CC(n2cccc2)C[C@@H](C)C1	82833881	573219857	/nfs/dbraw/zinc/21/98/57/573219857.db2.gz	BKZIBZYIYJLCKC-QWRGUYRKSA-N	0	0	177.291	3.485	10	0		AGAERN
CC/C(=C/c1ccccc1CC)CO	211917658	573219872	/nfs/dbraw/zinc/21/98/72/573219872.db2.gz	LSXJKUBLBXTIDZ-LUAWRHEFSA-N	0	0	190.286	3.035	10	0		AGAERN
CCc1c[nH]c2ccc(OC)c(C)c12	238308787	573219974	/nfs/dbraw/zinc/21/99/74/573219974.db2.gz	MCFXWATUSYDOFM-UHFFFAOYSA-N	0	0	189.258	3.047	10	0		AGAERN
CCC(=O)C1C[C@H](C)C[C@@H](C)C1	82833258	573219986	/nfs/dbraw/zinc/21/99/86/573219986.db2.gz	PWVPDRJOQNCHFD-RKDXNWHRSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@](C)(O)C1C[C@@H](C)C[C@H](C)C1	82832995	573220002	/nfs/dbraw/zinc/22/00/02/573220002.db2.gz	RGOXWTCFHKGMFZ-NHCYSSNCSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1ccc2c(c1)[C@@H](C1CCC1)CN2	235993563	573220201	/nfs/dbraw/zinc/22/02/01/573220201.db2.gz	CPFGEEWIJHJNOE-GFCCVEGCSA-N	0	0	187.286	3.304	10	0		AGAERN
CC[C@H](C)CSCc1ncoc1C	308318047	573220270	/nfs/dbraw/zinc/22/02/70/573220270.db2.gz	WVKBOJVJARCSBU-QMMMGPOBSA-N	0	0	199.319	3.262	10	0		AGAERN
Cc1ccc2c(c1)[C@H](C1CCC1)CN2	235993000	573220343	/nfs/dbraw/zinc/22/03/43/573220343.db2.gz	CPFGEEWIJHJNOE-LBPRGKRZSA-N	0	0	187.286	3.304	10	0		AGAERN
CCCC(=O)C1C[C@H](C)C[C@@H](C)C1	82833264	573220372	/nfs/dbraw/zinc/22/03/72/573220372.db2.gz	XCYCFIPSEMOISG-NXEZZACHSA-N	0	0	182.307	3.428	10	0		AGAERN
Fc1ccc2ccn(CC(F)F)c2c1	123869187	573220483	/nfs/dbraw/zinc/22/04/83/573220483.db2.gz	NPLFCTXWXNDXOG-UHFFFAOYSA-N	0	0	199.175	3.046	10	0		AGAERN
C[C@H]1CC(C2(O)CCCC2)C[C@H](C)C1	82832986	573221574	/nfs/dbraw/zinc/22/15/74/573221574.db2.gz	MTGDDVGOGVXURD-GHMZBOCLSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@H](C)CSCc1ncoc1C	308318046	573221066	/nfs/dbraw/zinc/22/10/66/573221066.db2.gz	WVKBOJVJARCSBU-MRVPVSSYSA-N	0	0	199.319	3.262	10	0		AGAERN
CC[C@H]1C[C@@H](CC)C(=O)C[C@@H]1C	238320689	573221276	/nfs/dbraw/zinc/22/12/76/573221276.db2.gz	KECQUKIITAOEIT-LPEHRKFASA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)[C@@](C)(O)C1C[C@H](C)C[C@@H](C)C1	82833002	573221299	/nfs/dbraw/zinc/22/12/99/573221299.db2.gz	FGXXSSPXZRAVRN-NQBHXWOUSA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)(C)C[C@H](NO)c1ccccc1	132128052	573221378	/nfs/dbraw/zinc/22/13/78/573221378.db2.gz	UAXSOOQJXCMMBQ-NSHDSACASA-N	0	0	193.290	3.143	10	0		AGAERN
CC(C)CC1(O)C[C@H](C)C[C@@H](C)C1	82831583	573221462	/nfs/dbraw/zinc/22/14/62/573221462.db2.gz	MJDGGDTXVOBEAK-GHMZBOCLSA-N	0	0	184.323	3.220	10	0		AGAERN
CCCCC[C@@H](NO)c1ccccc1	132123299	573221633	/nfs/dbraw/zinc/22/16/33/573221633.db2.gz	HVJKBVHRMWRLRG-GFCCVEGCSA-N	0	0	193.290	3.287	10	0		AGAERN
CC[C@@H](C)OCOc1cccc(C)c1	308518969	573221648	/nfs/dbraw/zinc/22/16/48/573221648.db2.gz	WOKIZMYQSIDTBP-LLVKDONJSA-N	0	0	194.274	3.146	10	0		AGAERN
CCc1nc2c(F)cc(C)cc2s1	238309463	573221680	/nfs/dbraw/zinc/22/16/80/573221680.db2.gz	BEXYOIJNJFRPBC-UHFFFAOYSA-N	0	0	195.262	3.306	10	0		AGAERN
CCCCC[C@H](NO)c1ccccc1	132123142	573221683	/nfs/dbraw/zinc/22/16/83/573221683.db2.gz	HVJKBVHRMWRLRG-LBPRGKRZSA-N	0	0	193.290	3.287	10	0		AGAERN
Cc1ccn(C2C[C@@H](C)C[C@H](C)C2)n1	82833893	573221801	/nfs/dbraw/zinc/22/18/01/573221801.db2.gz	AEWIYBZXZCGFIO-UWVGGRQHSA-N	0	0	192.306	3.189	10	0		AGAERN
C[C@H]1CC([C@@H]2CCCC2=O)C[C@H](C)C1	82833747	573222029	/nfs/dbraw/zinc/22/20/29/573222029.db2.gz	OIXRZXUUYORMNX-FOGDFJRCSA-N	0	0	194.318	3.428	10	0		AGAERN
O=C(CCCC(F)(F)F)C1CCC1	123872105	573222333	/nfs/dbraw/zinc/22/23/33/573222333.db2.gz	BVVRVEJKUPEIJE-UHFFFAOYSA-N	0	0	194.196	3.088	10	0		AGAERN
Fc1ccc2ccn(CC3CC3)c2c1	123868734	573223412	/nfs/dbraw/zinc/22/34/12/573223412.db2.gz	YJDWXRTXZPISFO-UHFFFAOYSA-N	0	0	189.233	3.190	10	0		AGAERN
Cc1cccc2c1ccn2CC1CC1	123875279	573223427	/nfs/dbraw/zinc/22/34/27/573223427.db2.gz	LUEFMEDUVMXOIB-UHFFFAOYSA-N	0	0	185.270	3.360	10	0		AGAERN
CCc1nc2c(F)c(F)ccc2s1	238309417	573223569	/nfs/dbraw/zinc/22/35/69/573223569.db2.gz	DAPYVPMCULHKJZ-UHFFFAOYSA-N	0	0	199.225	3.137	10	0		AGAERN
CC[C@H](C)OCOc1cccc(C)c1	308518970	573223620	/nfs/dbraw/zinc/22/36/20/573223620.db2.gz	WOKIZMYQSIDTBP-NSHDSACASA-N	0	0	194.274	3.146	10	0		AGAERN
CCC1(Br)CCCCC1	115834114	573223841	/nfs/dbraw/zinc/22/38/41/573223841.db2.gz	ISYSBGSTMJRWFL-UHFFFAOYSA-N	0	0	191.112	3.494	10	0		AGAERN
CC(C)(C)C[C@@H](NO)c1ccccc1	132128178	573223633	/nfs/dbraw/zinc/22/36/33/573223633.db2.gz	UAXSOOQJXCMMBQ-LLVKDONJSA-N	0	0	193.290	3.143	10	0		AGAERN
CC[C@H]1C[C@@H](C)c2c(N)cccc21	238320579	573223705	/nfs/dbraw/zinc/22/37/05/573223705.db2.gz	IYKOILPRWKXKSB-BDAKNGLRSA-N	0	0	175.275	3.270	10	0		AGAERN
CCc1nc2c(F)ccc(C)c2s1	238309533	573224506	/nfs/dbraw/zinc/22/45/06/573224506.db2.gz	NZXWIOWHIDOWEC-UHFFFAOYSA-N	0	0	195.262	3.306	10	0		AGAERN
C[C@H]1C[C@@](O)(C2CCCC2)CC[C@H]1C	82838886	573224508	/nfs/dbraw/zinc/22/45/08/573224508.db2.gz	WOWQSNKLLOUOIK-NTZNESFSSA-N	0	0	196.334	3.364	10	0		AGAERN
CCc1cc(CC)c(O)c(C)c1C	238322364	573226407	/nfs/dbraw/zinc/22/64/07/573226407.db2.gz	NMTLAWJBCCHKCX-UHFFFAOYSA-N	0	0	178.275	3.134	10	0		AGAERN
C[C@H]1C[C@](O)(C2CCCC2)CC[C@H]1C	82838889	573226433	/nfs/dbraw/zinc/22/64/33/573226433.db2.gz	WOWQSNKLLOUOIK-MDZLAQPJSA-N	0	0	196.334	3.364	10	0		AGAERN
CCCn1ccc2c(C)cccc21	123878526	573227171	/nfs/dbraw/zinc/22/71/71/573227171.db2.gz	LHKICDQPKWXWIL-UHFFFAOYSA-N	0	0	173.259	3.360	10	0		AGAERN
CCC[C@H](C)Oc1ccccc1C=O	233343154	573228200	/nfs/dbraw/zinc/22/82/00/573228200.db2.gz	LNLDYKYOKIHSLN-JTQLQIEISA-N	0	0	192.258	3.067	10	0		AGAERN
CC[C@H](C)[C@@H](O)C1CCC(C)CC1	82848953	573230699	/nfs/dbraw/zinc/23/06/99/573230699.db2.gz	LRDOYPVQXRZHFO-POSLAHMBSA-N	0	0	184.323	3.220	10	0		AGAERN
CCc1ccc([C@@H](O)C=C(C)C)cc1	86019483	573230709	/nfs/dbraw/zinc/23/07/09/573230709.db2.gz	BHDNFHLYNITJPW-ZDUSSCGKSA-N	0	0	190.286	3.249	10	0		AGAERN
CC(C)=C[C@@]1(O)CCC[C@@H](C)CC1	86021422	573230574	/nfs/dbraw/zinc/23/05/74/573230574.db2.gz	QGTLZXLBIBWORO-VXGBXAGGSA-N	0	0	182.307	3.284	10	0		AGAERN
CC1=C(C)C[C@H](Cc2c[nH]cn2)CC1	115897719	573230663	/nfs/dbraw/zinc/23/06/63/573230663.db2.gz	NATSBCKHSSGXLA-LLVKDONJSA-N	0	0	190.290	3.089	10	0		AGAERN
CC(C)=C[C@@H](O)c1ccc(C)cc1C	86019609	573230613	/nfs/dbraw/zinc/23/06/13/573230613.db2.gz	XHSRKBIKDMKEHR-CYBMUJFWSA-N	0	0	190.286	3.303	10	0		AGAERN
CC(=O)CC[C@@H]1CC[C@@H](C)[C@@H](C)C1	82845035	573230621	/nfs/dbraw/zinc/23/06/21/573230621.db2.gz	WBIMRNSLQYKFJM-SCVCMEIPSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)=C[C@@]1(O)CCCC(C)(C)C1	86020745	573230629	/nfs/dbraw/zinc/23/06/29/573230629.db2.gz	LDVPCKAZOURLAX-LBPRGKRZSA-N	0	0	182.307	3.284	10	0		AGAERN
C[C@H]1C[C@@H]([C@@H]2CCC[C@@H]2O)CC[C@H]1C	82844468	573230734	/nfs/dbraw/zinc/23/07/34/573230734.db2.gz	XJPMWMAEQGSXTN-MOLYVOAJSA-N	0	0	196.334	3.220	10	0		AGAERN
CC(C)=C[C@@H](O)c1ccc(C)c(F)c1	86019917	573230743	/nfs/dbraw/zinc/23/07/43/573230743.db2.gz	FDUHWYYFQRAZRG-GFCCVEGCSA-N	0	0	194.249	3.134	10	0		AGAERN
C1=CC23C=CC=CC2(C=C1)CC3	104925759	573230793	/nfs/dbraw/zinc/23/07/93/573230793.db2.gz	GBIXITIROLAUBE-UHFFFAOYSA-N	0	0	156.228	3.005	10	0		AGAERN
CCCC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1	82843185	573230803	/nfs/dbraw/zinc/23/08/03/573230803.db2.gz	MKGFZDZMXONPJD-GMTAPVOTSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)=C[C@@H](O)c1ccc(C)c(C)c1	86019758	573230807	/nfs/dbraw/zinc/23/08/07/573230807.db2.gz	BPCFPZRZALAAGZ-CYBMUJFWSA-N	0	0	190.286	3.303	10	0		AGAERN
CCC1CCC(O)(C=C(C)C)CC1	86018009	573230839	/nfs/dbraw/zinc/23/08/39/573230839.db2.gz	CMNBYMCTUXOQDQ-UHFFFAOYSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)[C@@](C)(O)[C@H]1CC[C@@H](C)[C@@H](C)C1	82842500	573230841	/nfs/dbraw/zinc/23/08/41/573230841.db2.gz	OKSRPBZXEOSVLX-MROQNXINSA-N	0	0	198.350	3.466	10	0		AGAERN
CCC[C@H](O)[C@@H]1CC[C@H](C)[C@H](C)C1	82842793	573230880	/nfs/dbraw/zinc/23/08/80/573230880.db2.gz	JLMPXLVBJRGFQW-QCNOEVLYSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1ccc(/C=C\CCCCO)cc1	212593606	573230884	/nfs/dbraw/zinc/23/08/84/573230884.db2.gz	PKCHVAQGRBCHCY-XQRVVYSFSA-N	0	0	190.286	3.171	10	0		AGAERN
CC(C)=CC1(O)CCCCCC1	86018113	573230900	/nfs/dbraw/zinc/23/09/00/573230900.db2.gz	FISLKRQJPWRIGK-UHFFFAOYSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)=C[C@H](O)c1ccc(F)cc1C	86020058	573231024	/nfs/dbraw/zinc/23/10/24/573231024.db2.gz	QFHRETMWNIKWKI-LBPRGKRZSA-N	0	0	194.249	3.134	10	0		AGAERN
CCC1CCC([C@@](C)(O)CC)CC1	82848807	573231031	/nfs/dbraw/zinc/23/10/31/573231031.db2.gz	JWQOYGGVMUBSOT-MCIGGMRASA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H](C)[C@@H](O)C1CCC(C)CC1	82848952	573231036	/nfs/dbraw/zinc/23/10/36/573231036.db2.gz	LRDOYPVQXRZHFO-RUJICJSRSA-N	0	0	184.323	3.220	10	0		AGAERN
CC1CCC([C@](C)(O)C(C)C)CC1	82848816	573231042	/nfs/dbraw/zinc/23/10/42/573231042.db2.gz	JFRPALGXHWRFTO-HTAVTVPLSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)=C[C@@H](O)C1CCC(C)CC1	86021782	573231069	/nfs/dbraw/zinc/23/10/69/573231069.db2.gz	SKTPRXKGNYNENY-HTAVTVPLSA-N	0	0	182.307	3.140	10	0		AGAERN
CC[C@H]1CCC[C@](O)(C=C(C)C)C1	86020647	573231118	/nfs/dbraw/zinc/23/11/18/573231118.db2.gz	KKDYMLSMPCUUBA-RYUDHWBXSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)=C[C@@H](O)c1cccc(Cl)c1	86019392	573231126	/nfs/dbraw/zinc/23/11/26/573231126.db2.gz	MJKOSBNTXTZHSY-LLVKDONJSA-N	0	0	196.677	3.340	10	0		AGAERN
C[C@H](CCCO)CCc1ccccc1	308524592	573231134	/nfs/dbraw/zinc/23/11/34/573231134.db2.gz	AOXPKQQNPMYGMZ-GFCCVEGCSA-N	0	0	192.302	3.028	10	0		AGAERN
CC(C)=CC1(O)C[C@@H](C)C[C@H](C)C1	86020904	573231158	/nfs/dbraw/zinc/23/11/58/573231158.db2.gz	DEZDQPRHDFPTKF-QWRGUYRKSA-N	0	0	182.307	3.140	10	0		AGAERN
C[C@H]1C[C@H](n2cccc2)CC[C@H]1C	82844861	573231180	/nfs/dbraw/zinc/23/11/80/573231180.db2.gz	OOLUWUKXQRJJOJ-GRYCIOLGSA-N	0	0	177.291	3.485	10	0		AGAERN
C[C@H]1C[C@H](C2(O)CCCC2)CC[C@H]1C	82842465	573231193	/nfs/dbraw/zinc/23/11/93/573231193.db2.gz	PIMXNFBNDZLQJQ-GRYCIOLGSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)=C[C@@H](O)c1ccc(C)s1	86019531	573231211	/nfs/dbraw/zinc/23/12/11/573231211.db2.gz	AMGXXMPLDKPQDH-SECBINFHSA-N	0	0	182.288	3.056	10	0		AGAERN
CSCc1cc(F)cc2cc[nH]c12	115931952	573231267	/nfs/dbraw/zinc/23/12/67/573231267.db2.gz	WSCIUBUVVSNOOO-UHFFFAOYSA-N	0	0	195.262	3.170	10	0		AGAERN
CC(C)=C[C@]1(O)C[C@@H](C)CC[C@H]1C	86021064	573231273	/nfs/dbraw/zinc/23/12/73/573231273.db2.gz	OYGMTOLFWCUHLL-TUAOUCFPSA-N	0	0	182.307	3.140	10	0		AGAERN
CC1CCC([C@@](C)(O)C(C)C)CC1	82848817	573231299	/nfs/dbraw/zinc/23/12/99/573231299.db2.gz	JFRPALGXHWRFTO-MCIGGMRASA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)=C[C@@H](O)c1cc(C)ccc1C	86019622	573231341	/nfs/dbraw/zinc/23/13/41/573231341.db2.gz	UEGPVGZQEKGJSQ-CYBMUJFWSA-N	0	0	190.286	3.303	10	0		AGAERN
CC(C)=C[C@@](C)(O)c1sccc1C	86020382	573231377	/nfs/dbraw/zinc/23/13/77/573231377.db2.gz	QUYWZOOCDFSUPN-LLVKDONJSA-N	0	0	196.315	3.230	10	0		AGAERN
CC[C@H]1CCCC[C@]1(O)C=C(C)C	86020685	573231422	/nfs/dbraw/zinc/23/14/22/573231422.db2.gz	BPORGQXPUHKYEN-RYUDHWBXSA-N	0	0	182.307	3.284	10	0		AGAERN
CC[C@@H]1CC(=O)C[C@@H](C(C)C)C1	238323253	573231424	/nfs/dbraw/zinc/23/14/24/573231424.db2.gz	ZHKVVPLNTHOVOA-UWVGGRQHSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)=C[C@@H](O)[C@@H](C)c1ccccc1	86020273	573231430	/nfs/dbraw/zinc/23/14/30/573231430.db2.gz	CMPHWGRPWJKTEO-WCQYABFASA-N	0	0	190.286	3.117	10	0		AGAERN
CC1=C(/C=C\[C@H](C)O)[C@H](C(C)C)CC1	308524779	573231490	/nfs/dbraw/zinc/23/14/90/573231490.db2.gz	ATIHJYREBLIHNK-HTMRKKJOSA-N	0	0	194.318	3.306	10	0		AGAERN
CC(C)=C[C@@](C)(O)c1ccccc1C	86018192	573231508	/nfs/dbraw/zinc/23/15/08/573231508.db2.gz	CLERTNUOXMJZQB-CYBMUJFWSA-N	0	0	190.286	3.169	10	0		AGAERN
C[C@H]1C[C@@H](C2(O)CCCC2)CC[C@H]1C	82842461	573231532	/nfs/dbraw/zinc/23/15/32/573231532.db2.gz	PIMXNFBNDZLQJQ-WOPDTQHZSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)=C[C@]1(O)CCC[C@@H](C)[C@H]1C	86020975	573231571	/nfs/dbraw/zinc/23/15/71/573231571.db2.gz	UKUHRTUBVXJQQL-IJLUTSLNSA-N	0	0	182.307	3.140	10	0		AGAERN
CC(C)=C[C@](C)(O)c1ccccc1C	86018195	573231600	/nfs/dbraw/zinc/23/16/00/573231600.db2.gz	CLERTNUOXMJZQB-ZDUSSCGKSA-N	0	0	190.286	3.169	10	0		AGAERN
CCCC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1	82843182	573231604	/nfs/dbraw/zinc/23/16/04/573231604.db2.gz	MKGFZDZMXONPJD-HBNTYKKESA-N	0	0	182.307	3.428	10	0		AGAERN
Cc1cccc([C@@](C)(O)C(C)(C)C)c1	91383527	573231622	/nfs/dbraw/zinc/23/16/22/573231622.db2.gz	PLTZBIFTVVGSHB-CYBMUJFWSA-N	0	0	192.302	3.249	10	0		AGAERN
CC(C)=C[C@H](O)c1ccc(C)c(C)c1	86019761	573231631	/nfs/dbraw/zinc/23/16/31/573231631.db2.gz	BPCFPZRZALAAGZ-ZDUSSCGKSA-N	0	0	190.286	3.303	10	0		AGAERN
CC(C)=C[C@@H](O)[C@H](C)c1ccccc1	86020276	573231649	/nfs/dbraw/zinc/23/16/49/573231649.db2.gz	CMPHWGRPWJKTEO-DGCLKSJQSA-N	0	0	190.286	3.117	10	0		AGAERN
CC(C)=C[C@H](O)c1cc(C)sc1C	86020092	573231656	/nfs/dbraw/zinc/23/16/56/573231656.db2.gz	IMVUFPRTGDXZKF-NSHDSACASA-N	0	0	196.315	3.365	10	0		AGAERN
CC(C)=C[C@H](O)c1ccc(C)cc1C	86019612	573231665	/nfs/dbraw/zinc/23/16/65/573231665.db2.gz	XHSRKBIKDMKEHR-ZDUSSCGKSA-N	0	0	190.286	3.303	10	0		AGAERN
C[C@H]1C[C@@H]([C@@H]2CCC(=O)C2)CC[C@H]1C	82845026	573231666	/nfs/dbraw/zinc/23/16/66/573231666.db2.gz	GRARZLYGSYPPBH-NOOOWODRSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)=C[C@H](O)c1ccc(C)c(F)c1	86019920	573231722	/nfs/dbraw/zinc/23/17/22/573231722.db2.gz	FDUHWYYFQRAZRG-LBPRGKRZSA-N	0	0	194.249	3.134	10	0		AGAERN
CCC(O)(CC)C1CCC(C)CC1	82848812	573231773	/nfs/dbraw/zinc/23/17/73/573231773.db2.gz	SUPAOALGSOOSFZ-UHFFFAOYSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)=C[C@]1(O)CC[C@@H](C)C[C@H]1C	86021023	573231825	/nfs/dbraw/zinc/23/18/25/573231825.db2.gz	DQVULLYTXBEGIV-IJLUTSLNSA-N	0	0	182.307	3.140	10	0		AGAERN
CCC1CCC([C@@H](O)C(C)C)CC1	82848920	573231920	/nfs/dbraw/zinc/23/19/20/573231920.db2.gz	WQJAVGFZZIYRHM-MCIGGMRASA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)=C[C@@](C)(O)c1ccc(C)cc1	86018182	573231929	/nfs/dbraw/zinc/23/19/29/573231929.db2.gz	IJNZCGNBYXHNNG-CYBMUJFWSA-N	0	0	190.286	3.169	10	0		AGAERN
C/C=C/C[C@H](O)[C@H](C)c1ccccc1	308524501	573231984	/nfs/dbraw/zinc/23/19/84/573231984.db2.gz	AODPNABPZLMKEX-WTQORWENSA-N	0	0	190.286	3.117	10	0		AGAERN
Fc1cccc(CC2CC=CC2)c1F	226177218	573232035	/nfs/dbraw/zinc/23/20/35/573232035.db2.gz	HBHPXHVGDJSDIL-UHFFFAOYSA-N	0	0	194.224	3.474	10	0		AGAERN
Cc1nccn1[C@@H]1CC[C@@H](C)[C@H](C)C1	82844871	573232061	/nfs/dbraw/zinc/23/20/61/573232061.db2.gz	FARGCGTULCWSQY-CKYFFXLPSA-N	0	0	192.306	3.189	10	0		AGAERN
CC(C)=C[C@H](O)C1CCCCCC1	86021761	573232147	/nfs/dbraw/zinc/23/21/47/573232147.db2.gz	WZWHYQJEHRJQSV-LBPRGKRZSA-N	0	0	182.307	3.284	10	0		AGAERN
Cc1cc(-c2sccc2C)on1	259386642	573232186	/nfs/dbraw/zinc/23/21/86/573232186.db2.gz	WLRIARJDBAHXFM-UHFFFAOYSA-N	0	0	179.244	3.020	10	0		AGAERN
CC(C)=C[C@]1(O)CCC[C@@H](C)CC1	86021437	573232251	/nfs/dbraw/zinc/23/22/51/573232251.db2.gz	QGTLZXLBIBWORO-NEPJUHHUSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)=C[C@]1(O)CCC[C@H](C)CC1	86021443	573232309	/nfs/dbraw/zinc/23/23/09/573232309.db2.gz	QGTLZXLBIBWORO-RYUDHWBXSA-N	0	0	182.307	3.284	10	0		AGAERN
C/C=C/C[C@H](O)[C@@H](C)c1ccccc1	308524487	573232329	/nfs/dbraw/zinc/23/23/29/573232329.db2.gz	AODPNABPZLMKEX-JXSWWZISSA-N	0	0	190.286	3.117	10	0		AGAERN
CC(C)=C[C@@H](O)c1ccc(F)c(C)c1	86019994	573232410	/nfs/dbraw/zinc/23/24/10/573232410.db2.gz	FNCCYALMMUVLHF-GFCCVEGCSA-N	0	0	194.249	3.134	10	0		AGAERN
CC(C)=C[C@@H](O)c1cc(C)cc(C)c1	86020005	573232417	/nfs/dbraw/zinc/23/24/17/573232417.db2.gz	VSLKDFGIOXGIBS-CYBMUJFWSA-N	0	0	190.286	3.303	10	0		AGAERN
C[C@H]1C[C@H](C(=O)C2CC2)CC[C@H]1C	82843192	573232457	/nfs/dbraw/zinc/23/24/57/573232457.db2.gz	NHXGWTRXPBAYAC-WCABBAIRSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(C)=C[C@](C)(O)c1ccc(C)cc1	86018183	573232467	/nfs/dbraw/zinc/23/24/67/573232467.db2.gz	IJNZCGNBYXHNNG-ZDUSSCGKSA-N	0	0	190.286	3.169	10	0		AGAERN
CC(C)=C[C@@H](O)c1ccccc1Cl	86019264	573232486	/nfs/dbraw/zinc/23/24/86/573232486.db2.gz	VTWILZABWQPRGH-LLVKDONJSA-N	0	0	196.677	3.340	10	0		AGAERN
CC(C)=C[C@@]1(O)CCC[C@@H](C2CC2)C1	86020878	573232500	/nfs/dbraw/zinc/23/25/00/573232500.db2.gz	AEWCIRWRSAVAQK-OLZOCXBDSA-N	0	0	194.318	3.284	10	0		AGAERN
CC(C)=C[C@H](O)c1cc(C)cc(C)c1	86020009	573232528	/nfs/dbraw/zinc/23/25/28/573232528.db2.gz	VSLKDFGIOXGIBS-ZDUSSCGKSA-N	0	0	190.286	3.303	10	0		AGAERN
CC(C)=C[C@H](O)[C@H](C)c1ccccc1	86020282	573232595	/nfs/dbraw/zinc/23/25/95/573232595.db2.gz	CMPHWGRPWJKTEO-YPMHNXCESA-N	0	0	190.286	3.117	10	0		AGAERN
CC(C)=C[C@]1(O)CC[C@H](C)C[C@H]1C	86021024	573232886	/nfs/dbraw/zinc/23/28/86/573232886.db2.gz	DQVULLYTXBEGIV-QJPTWQEYSA-N	0	0	182.307	3.140	10	0		AGAERN
Cc1ccn([C@@H]2CC[C@H](C)[C@H](C)C2)n1	82844886	573232656	/nfs/dbraw/zinc/23/26/56/573232656.db2.gz	PSCAYBMAORIYEJ-HOSYDEDBSA-N	0	0	192.306	3.189	10	0		AGAERN
CC[C@@H]1CCC[C@](O)(C=C(C)C)C1	86020643	573232673	/nfs/dbraw/zinc/23/26/73/573232673.db2.gz	KKDYMLSMPCUUBA-NEPJUHHUSA-N	0	0	182.307	3.284	10	0		AGAERN
CC[C@](C)(O)[C@@H]1CC[C@H](C)[C@H](C)C1	82842483	573232732	/nfs/dbraw/zinc/23/27/32/573232732.db2.gz	SKDPUHGIIGURSG-QCNOEVLYSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@H]1C[C@@H]([C@@H]2CC[C@H](O)C2)CC[C@H]1C	82845490	573232738	/nfs/dbraw/zinc/23/27/38/573232738.db2.gz	CYKXKXZEWNMACB-SJHCENCUSA-N	0	0	196.334	3.220	10	0		AGAERN
CCC1CCC([C@](C)(O)C2CC2)CC1	82848818	573232765	/nfs/dbraw/zinc/23/27/65/573232765.db2.gz	JFSADCFDIVWWFH-XIVSLSHWSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)=C[C@H](O)C1CCC(C)CC1	86021787	573232782	/nfs/dbraw/zinc/23/27/82/573232782.db2.gz	SKTPRXKGNYNENY-MCIGGMRASA-N	0	0	182.307	3.140	10	0		AGAERN
CC(C)=C[C@@H](O)C1CCCCCC1	86021767	573232790	/nfs/dbraw/zinc/23/27/90/573232790.db2.gz	WZWHYQJEHRJQSV-GFCCVEGCSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)=C[C@]1(O)C[C@@H](C)CC[C@@H]1C	86021052	573232799	/nfs/dbraw/zinc/23/27/99/573232799.db2.gz	OYGMTOLFWCUHLL-SRVKXCTJSA-N	0	0	182.307	3.140	10	0		AGAERN
CC[C@@H](C)[C@H](O)C1CCC(C)CC1	82848950	573232820	/nfs/dbraw/zinc/23/28/20/573232820.db2.gz	LRDOYPVQXRZHFO-RSJDFQLWSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)=C[C@]1(O)C[C@H](C)CC[C@@H]1C	86021047	573232907	/nfs/dbraw/zinc/23/29/07/573232907.db2.gz	OYGMTOLFWCUHLL-WOPDTQHZSA-N	0	0	182.307	3.140	10	0		AGAERN
CC[C@@](O)(C=C(C)C)c1ccccc1	86018398	573232967	/nfs/dbraw/zinc/23/29/67/573232967.db2.gz	HVWGQFVWTYQYCO-CYBMUJFWSA-N	0	0	190.286	3.250	10	0		AGAERN
CC(C)=C[C@@H](O)c1cccc(C)c1C	86019743	573232994	/nfs/dbraw/zinc/23/29/94/573232994.db2.gz	LWCOLFZBRBVGLC-CYBMUJFWSA-N	0	0	190.286	3.303	10	0		AGAERN
CC[C@H]1CCC[C@@](O)(C=C(C)C)C1	86020658	573233014	/nfs/dbraw/zinc/23/30/14/573233014.db2.gz	KKDYMLSMPCUUBA-NWDGAFQWSA-N	0	0	182.307	3.284	10	0		AGAERN
Cc1ccc([C@H](O)C2CC2)c(Cl)c1	115933592	573234086	/nfs/dbraw/zinc/23/40/86/573234086.db2.gz	QMJJZZHVVPOYBV-LLVKDONJSA-N	0	0	196.677	3.092	10	0		AGAERN
CC(C)=C[C@H](O)c1ccccc1Cl	86019259	573233096	/nfs/dbraw/zinc/23/30/96/573233096.db2.gz	VTWILZABWQPRGH-NSHDSACASA-N	0	0	196.677	3.340	10	0		AGAERN
CC(C)=C[C@@H](O)c1ccc(F)cc1C	86020055	573233112	/nfs/dbraw/zinc/23/31/12/573233112.db2.gz	QFHRETMWNIKWKI-GFCCVEGCSA-N	0	0	194.249	3.134	10	0		AGAERN
CC(C)=C[C@H](O)c1ccc(Cl)cc1	86019180	573233166	/nfs/dbraw/zinc/23/31/66/573233166.db2.gz	GXVVDCMEZKRRGM-NSHDSACASA-N	0	0	196.677	3.340	10	0		AGAERN
C[C@H]1C[C@@H](C(=O)C2CC2)CC[C@H]1C	82843190	573233185	/nfs/dbraw/zinc/23/31/85/573233185.db2.gz	NHXGWTRXPBAYAC-YWVKMMECSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(C)=CC1(O)C[C@H](C)C[C@@H](C)C1	86020909	573233188	/nfs/dbraw/zinc/23/31/88/573233188.db2.gz	DEZDQPRHDFPTKF-GHMZBOCLSA-N	0	0	182.307	3.140	10	0		AGAERN
C/C=C\C[C@H](O)[C@@H](C)c1ccccc1	308524493	573233204	/nfs/dbraw/zinc/23/32/04/573233204.db2.gz	AODPNABPZLMKEX-QOHONLRBSA-N	0	0	190.286	3.117	10	0		AGAERN
CCC1CCC([C@H](O)C(C)C)CC1	82848919	573233208	/nfs/dbraw/zinc/23/32/08/573233208.db2.gz	WQJAVGFZZIYRHM-HTAVTVPLSA-N	0	0	184.323	3.220	10	0		AGAERN
CCc1cc(CF)ccc1SC	238323526	573233301	/nfs/dbraw/zinc/23/33/01/573233301.db2.gz	WKHXMTABTPRADQ-UHFFFAOYSA-N	0	0	184.279	3.440	10	0		AGAERN
CC[C@H](C)[C@H](O)[C@@H]1CC[C@H](C)[C@H](C)C1	82842757	573233316	/nfs/dbraw/zinc/23/33/16/573233316.db2.gz	HULYWNDVLZJCFO-YYHQMBLXSA-N	0	0	198.350	3.466	10	0		AGAERN
CCCC(=O)OC(CC)(CC)CC	308312862	573233367	/nfs/dbraw/zinc/23/33/67/573233367.db2.gz	SODDKDPBNUTHQQ-UHFFFAOYSA-N	0	0	186.295	3.299	10	0		AGAERN
CC(C)C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1	82843149	573233424	/nfs/dbraw/zinc/23/34/24/573233424.db2.gz	OKLQRXNUHFSIOC-GARJFASQSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)=C[C@]1(O)CCC[C@@H](C2CC2)C1	86020874	573233496	/nfs/dbraw/zinc/23/34/96/573233496.db2.gz	AEWCIRWRSAVAQK-CHWSQXEVSA-N	0	0	194.318	3.284	10	0		AGAERN
CCc1ccccc1[C@H](O)C=C(C)C	86020065	573233511	/nfs/dbraw/zinc/23/35/11/573233511.db2.gz	KWKIUGNYDBPSAF-CYBMUJFWSA-N	0	0	190.286	3.249	10	0		AGAERN
CC(C)=C[C@@]1(O)CCC[C@H](C)CC1	86021430	573233544	/nfs/dbraw/zinc/23/35/44/573233544.db2.gz	QGTLZXLBIBWORO-NWDGAFQWSA-N	0	0	182.307	3.284	10	0		AGAERN
CCc1ccc([C@H](O)C=C(C)C)s1	86020030	573233568	/nfs/dbraw/zinc/23/35/68/573233568.db2.gz	WQKZFFPSAAGUHX-SNVBAGLBSA-N	0	0	196.315	3.310	10	0		AGAERN
CC(C)=C[C@H](O)c1cc(C)ccc1C	86019625	573233572	/nfs/dbraw/zinc/23/35/72/573233572.db2.gz	UEGPVGZQEKGJSQ-ZDUSSCGKSA-N	0	0	190.286	3.303	10	0		AGAERN
CC(C)=C[C@]1(O)CCC[C@H](C2CC2)C1	86020866	573233577	/nfs/dbraw/zinc/23/35/77/573233577.db2.gz	AEWCIRWRSAVAQK-QWHCGFSZSA-N	0	0	194.318	3.284	10	0		AGAERN
CCc1ccc([C@H](O)C=C(C)C)cc1	86019479	573233588	/nfs/dbraw/zinc/23/35/88/573233588.db2.gz	BHDNFHLYNITJPW-CYBMUJFWSA-N	0	0	190.286	3.249	10	0		AGAERN
FCCn1ccc2ccc(Cl)cc21	123883684	573233621	/nfs/dbraw/zinc/23/36/21/573233621.db2.gz	KNWYFLVTTUCCDF-UHFFFAOYSA-N	0	0	197.640	3.264	10	0		AGAERN
CC(C)=C[C@](C)(O)c1sccc1C	86020385	573233716	/nfs/dbraw/zinc/23/37/16/573233716.db2.gz	QUYWZOOCDFSUPN-NSHDSACASA-N	0	0	196.315	3.230	10	0		AGAERN
CC(C)=C[C@H](O)c1sccc1C	86019450	573233783	/nfs/dbraw/zinc/23/37/83/573233783.db2.gz	CBJPTEFEKVQLKD-VIFPVBQESA-N	0	0	182.288	3.056	10	0		AGAERN
CC(C)=C[C@H](O)[C@@H](C)c1ccccc1	86020279	573233800	/nfs/dbraw/zinc/23/38/00/573233800.db2.gz	CMPHWGRPWJKTEO-AAEUAGOBSA-N	0	0	190.286	3.117	10	0		AGAERN
CC(C)=C[C@@H](O)c1ccc(Cl)cc1	86019184	573233837	/nfs/dbraw/zinc/23/38/37/573233837.db2.gz	GXVVDCMEZKRRGM-LLVKDONJSA-N	0	0	196.677	3.340	10	0		AGAERN
CC[C@@H]1CCCC[C@@]1(O)C=C(C)C	86020690	573233842	/nfs/dbraw/zinc/23/38/42/573233842.db2.gz	BPORGQXPUHKYEN-VXGBXAGGSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)=C[C@@]1(O)CCC[C@H](C2CC2)C1	86020870	573233872	/nfs/dbraw/zinc/23/38/72/573233872.db2.gz	AEWCIRWRSAVAQK-STQMWFEESA-N	0	0	194.318	3.284	10	0		AGAERN
CCC1CCC([C@@H]2CCC[C@@H]2O)CC1	82856281	573233881	/nfs/dbraw/zinc/23/38/81/573233881.db2.gz	UTXKKDHEZUTQNX-TYUFSLCMSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@H]1CCCC[C@@]1(O)C=C(C)C	86020698	573233988	/nfs/dbraw/zinc/23/39/88/573233988.db2.gz	BPORGQXPUHKYEN-NWDGAFQWSA-N	0	0	182.307	3.284	10	0		AGAERN
CC[C@@H]1CCCC[C@]1(O)C=C(C)C	86020683	573234039	/nfs/dbraw/zinc/23/40/39/573234039.db2.gz	BPORGQXPUHKYEN-NEPJUHHUSA-N	0	0	182.307	3.284	10	0		AGAERN
Cc1ccc([C@@H](O)C2CC2)c(Cl)c1	115933589	573234103	/nfs/dbraw/zinc/23/41/03/573234103.db2.gz	QMJJZZHVVPOYBV-NSHDSACASA-N	0	0	196.677	3.092	10	0		AGAERN
CC(C)=C[C@H](O)c1ccc(C)s1	86019535	573234112	/nfs/dbraw/zinc/23/41/12/573234112.db2.gz	AMGXXMPLDKPQDH-VIFPVBQESA-N	0	0	182.288	3.056	10	0		AGAERN
CC(C)=CC1(O)CCC(C)(C)CC1	86020705	573234126	/nfs/dbraw/zinc/23/41/26/573234126.db2.gz	WGAYHJJRDLZAAM-UHFFFAOYSA-N	0	0	182.307	3.284	10	0		AGAERN
Cc1cccc([C@](C)(O)C(C)(C)C)c1	91383525	573234127	/nfs/dbraw/zinc/23/41/27/573234127.db2.gz	PLTZBIFTVVGSHB-ZDUSSCGKSA-N	0	0	192.302	3.249	10	0		AGAERN
CC[C@](O)(C=C(C)C)c1ccccc1	86018399	573234145	/nfs/dbraw/zinc/23/41/45/573234145.db2.gz	HVWGQFVWTYQYCO-ZDUSSCGKSA-N	0	0	190.286	3.250	10	0		AGAERN
CCC1CCC([C@H]2CCC[C@H]2O)CC1	82856284	573234828	/nfs/dbraw/zinc/23/48/28/573234828.db2.gz	UTXKKDHEZUTQNX-FIYWTHMPSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1cccc2c1oc1cc(C=O)[nH]c12	259388050	573234829	/nfs/dbraw/zinc/23/48/29/573234829.db2.gz	RFYUOVNMBRASDC-UHFFFAOYSA-N	0	0	199.209	3.035	10	0		AGAERN
CCCCCC/C(C)=C\[C@@H](C)O	221193869	573234877	/nfs/dbraw/zinc/23/48/77/573234877.db2.gz	QFWPEYPJNJVJCV-DWOQACPDSA-N	0	0	170.296	3.284	10	0		AGAERN
CCC1CCC([C@H]2CCC[C@@H]2O)CC1	82856282	573237755	/nfs/dbraw/zinc/23/77/55/573237755.db2.gz	UTXKKDHEZUTQNX-TUUUFIMRSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1CCC([C@]2(O)CC[C@@H](C)C2)CC1	82849065	573237939	/nfs/dbraw/zinc/23/79/39/573237939.db2.gz	VFMKOTXFUQSHPH-KPFVRQRISA-N	0	0	196.334	3.364	10	0		AGAERN
CC1CCC([C@@]2(O)CC[C@H](C)C2)CC1	82849064	573238074	/nfs/dbraw/zinc/23/80/74/573238074.db2.gz	VFMKOTXFUQSHPH-PYNQCMFNSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1CCC([C@@]2(O)CC[C@@H](C)C2)CC1	82849066	573238104	/nfs/dbraw/zinc/23/81/04/573238104.db2.gz	VFMKOTXFUQSHPH-POOIEITISA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@H](C)C(=O)C1CCC(C)CC1	82849249	573238150	/nfs/dbraw/zinc/23/81/50/573238150.db2.gz	JRMALCOZOZIWLB-HSOILSAZSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H](C)c1cc2cc(O)ccc2[nH]1	222939853	573238551	/nfs/dbraw/zinc/23/85/51/573238551.db2.gz	DQWMIOYDDWMWAD-MRVPVSSYSA-N	0	0	189.258	3.387	10	0		AGAERN
CCC1CCC([C@H]2CC[C@@H](O)C2)CC1	82856810	573241355	/nfs/dbraw/zinc/24/13/55/573241355.db2.gz	HFVKQDBJDYGWNU-IFWUJCSASA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@H]1CC[C@H](C)C2SC(=S)N=C21	82859965	573240028	/nfs/dbraw/zinc/24/00/28/573240028.db2.gz	SMCATANNVMAXAW-WDSKDSINSA-N	0	0	199.344	3.433	10	0		AGAERN
CCC1CCC(n2ccnc2C)CC1	82856497	573240047	/nfs/dbraw/zinc/24/00/47/573240047.db2.gz	MZKFGTBHBMLLDT-UHFFFAOYSA-N	0	0	192.306	3.333	10	0		AGAERN
C[C@@H]1CC[C@@H](C)C2SC(=S)N=C21	82859966	573240091	/nfs/dbraw/zinc/24/00/91/573240091.db2.gz	SMCATANNVMAXAW-PHDIDXHHSA-N	0	0	199.344	3.433	10	0		AGAERN
CCC1CCC([C@@H]2CC[C@@H](O)C2)CC1	82856809	573240102	/nfs/dbraw/zinc/24/01/02/573240102.db2.gz	HFVKQDBJDYGWNU-FIYWTHMPSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC1CCC([C@H]2CC[C@H](O)C2)CC1	82856808	573240123	/nfs/dbraw/zinc/24/01/23/573240123.db2.gz	HFVKQDBJDYGWNU-TYUFSLCMSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1CCC([C@@H]2CCC[C@@H](O)C2)CC1	82856813	573240133	/nfs/dbraw/zinc/24/01/33/573240133.db2.gz	OBLVTBVADCEKDF-FIYWTHMPSA-N	0	0	196.334	3.364	10	0		AGAERN
CCc1cc2c(C)c(C)ccc2[nH]1	238314906	573240316	/nfs/dbraw/zinc/24/03/16/573240316.db2.gz	QIQBYPWUOSLTNQ-UHFFFAOYSA-N	0	0	173.259	3.347	10	0		AGAERN
C[C@H]1CCc2sc(=S)[nH]c2[C@H]1C	82859971	573240324	/nfs/dbraw/zinc/24/03/24/573240324.db2.gz	ATKIGKWWJWRJIE-WDSKDSINSA-N	0	0	199.344	3.118	10	0		AGAERN
CNc1nc2c(s1)[C@H](C)CC[C@@H]2C	82857143	573240408	/nfs/dbraw/zinc/24/04/08/573240408.db2.gz	NASKQFWQSGKQPA-NKWVEPMBSA-N	0	0	196.319	3.186	10	0		AGAERN
C[C@H]1CC[C@@H](C)c2cc(Cl)nnc21	82857550	573241244	/nfs/dbraw/zinc/24/12/44/573241244.db2.gz	ILUCPSVSRHJTAH-RQJHMYQMSA-N	0	0	196.681	3.131	10	0		AGAERN
CC1CCC([C@H](C)C[C@H](C)O)CC1	82856853	573241183	/nfs/dbraw/zinc/24/11/83/573241183.db2.gz	ZLUBYVQSFFVEML-UPOSSJBDSA-N	0	0	184.323	3.220	10	0		AGAERN
CNc1cccc(C(F)(F)C2CC2)c1	259391246	573241308	/nfs/dbraw/zinc/24/13/08/573241308.db2.gz	HJRRXUZQQISPKD-UHFFFAOYSA-N	0	0	197.228	3.230	10	0		AGAERN
CCC1CCC(n2ccnc2)CC1	82856496	573241964	/nfs/dbraw/zinc/24/19/64/573241964.db2.gz	BNURHGMOGRZZAQ-UHFFFAOYSA-N	0	0	178.279	3.024	10	0		AGAERN
Fc1ccc2cc(Cl)cnc2c1	257977018	573241633	/nfs/dbraw/zinc/24/16/33/573241633.db2.gz	ZFUCTFOKCBJNJW-UHFFFAOYSA-N	0	0	181.597	3.027	10	0		AGAERN
CCc1cc(C(C)C)c(C)cc1O	238315951	573241641	/nfs/dbraw/zinc/24/16/41/573241641.db2.gz	JKBKQOUZVIUVPG-UHFFFAOYSA-N	0	0	178.275	3.386	10	0		AGAERN
CCC1(/C=C\Br)CCC1	686132452	573241642	/nfs/dbraw/zinc/24/16/42/573241642.db2.gz	DIAYWCLMKLRTSI-SREVYHEPSA-N	0	0	189.096	3.475	10	0		AGAERN
CC(C)n1ccnc1-c1cccs1	123899574	573241656	/nfs/dbraw/zinc/24/16/56/573241656.db2.gz	MSOOIEJUNRQIGD-UHFFFAOYSA-N	0	0	192.287	3.193	10	0		AGAERN
CC1CCC([C@H](C)C[C@@H](C)O)CC1	82856851	573241680	/nfs/dbraw/zinc/24/16/80/573241680.db2.gz	ZLUBYVQSFFVEML-BFUDSRACSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)=C[C@H](C)CC[C@@H](O)C(C)C	77951726	573241706	/nfs/dbraw/zinc/24/17/06/573241706.db2.gz	BTFKEKXNJKXNJF-VXGBXAGGSA-N	0	0	184.323	3.386	10	0		AGAERN
CC[C@H]1Cc2ccccc2N[C@@H]1C	238315634	573241731	/nfs/dbraw/zinc/24/17/31/573241731.db2.gz	QWIVLOJDUYHTFD-ZJUUUORDSA-N	0	0	175.275	3.069	10	0		AGAERN
CC1CCC([C@@H](C)C[C@@H](C)O)CC1	82856850	573241813	/nfs/dbraw/zinc/24/18/13/573241813.db2.gz	ZLUBYVQSFFVEML-LVFLEHKBSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC1CCC(n2ccc(C)n2)CC1	82856502	573241824	/nfs/dbraw/zinc/24/18/24/573241824.db2.gz	UVSSLVNXOBCHNQ-UHFFFAOYSA-N	0	0	192.306	3.333	10	0		AGAERN
CCC1CCC(n2cccn2)CC1	82856493	573241847	/nfs/dbraw/zinc/24/18/47/573241847.db2.gz	BUOPSGSZLOUMTA-UHFFFAOYSA-N	0	0	178.279	3.024	10	0		AGAERN
CC(C)c1cc([C@@H](C)CO)ccc1F	257976996	573242444	/nfs/dbraw/zinc/24/24/44/573242444.db2.gz	DHVXZZBHFAPSAP-VIFPVBQESA-N	0	0	196.265	3.045	10	0		AGAERN
CCc1cc2c(C)cc(OC)cc2[nH]1	238315151	573242270	/nfs/dbraw/zinc/24/22/70/573242270.db2.gz	YKTZIFCTEHMRPF-UHFFFAOYSA-N	0	0	189.258	3.047	10	0		AGAERN
C[C@H]1CC[C@H](C)c2nnc(Cl)cc21	82857551	573242321	/nfs/dbraw/zinc/24/23/21/573242321.db2.gz	ILUCPSVSRHJTAH-BQBZGAKWSA-N	0	0	196.681	3.131	10	0		AGAERN
CCCC[C@H](C)Nc1ccc(F)cn1	50889371	573242392	/nfs/dbraw/zinc/24/23/92/573242392.db2.gz	QJBMRBKPSHKMIL-VIFPVBQESA-N	0	0	196.269	3.211	10	0		AGAERN
CC[C@H](CO)C[C@@H]1CCC[C@H](C)C1	308320654	573243209	/nfs/dbraw/zinc/24/32/09/573243209.db2.gz	AYPNKINWYDVYGA-SDDRHHMPSA-N	0	0	184.323	3.221	10	0		AGAERN
CC(C)c1cc([C@H](C)CO)ccc1F	257976992	573243957	/nfs/dbraw/zinc/24/39/57/573243957.db2.gz	DHVXZZBHFAPSAP-SECBINFHSA-N	0	0	196.265	3.045	10	0		AGAERN
CC[C@H]1Cc2c(O)cccc2[C@@H]1C	238315226	573243958	/nfs/dbraw/zinc/24/39/58/573243958.db2.gz	DBHYDABFODGOLD-BDAKNGLRSA-N	0	0	176.259	3.078	10	0		AGAERN
C[C@@H]1CCC[C@@](O)(C2CCCC2)[C@@H]1C	82861196	573243851	/nfs/dbraw/zinc/24/38/51/573243851.db2.gz	LQVXJOAQWGJKSW-WZRBSPASSA-N	0	0	196.334	3.364	10	0		AGAERN
CCc1cc2c(F)cc(C)cc2[nH]1	238315789	573243883	/nfs/dbraw/zinc/24/38/83/573243883.db2.gz	JFHGBIRDGDCSEG-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
O=C(CC1CCC1)c1ccoc1Cl	236035706	573243898	/nfs/dbraw/zinc/24/38/98/573243898.db2.gz	OOINAQHBDYMSIN-UHFFFAOYSA-N	0	0	198.649	3.306	10	0		AGAERN
CC(C)SCc1ccc(N)cc1F	82864882	573244841	/nfs/dbraw/zinc/24/48/41/573244841.db2.gz	QJIYLLVOISMOKP-UHFFFAOYSA-N	0	0	199.294	3.050	10	0		AGAERN
C[C@@H]1CC[C@@H](C)[C@](O)(C2CCCC2)C1	82861580	573244918	/nfs/dbraw/zinc/24/49/18/573244918.db2.gz	GZJOOWYMPPRZTG-WZRBSPASSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@@H]1CC[C@](O)(C2CCCC2)[C@H](C)C1	82861386	573245041	/nfs/dbraw/zinc/24/50/41/573245041.db2.gz	YYPMLBQDHYFJDJ-NQBHXWOUSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@H]1Cc2ccccc2N[C@H]1CC	238315684	573245169	/nfs/dbraw/zinc/24/51/69/573245169.db2.gz	ZGSTZXJBXBRXEC-JQWIXIFHSA-N	0	0	189.302	3.459	10	0		AGAERN
CCC1(/C=C/Br)CCC1	686132453	573245236	/nfs/dbraw/zinc/24/52/36/573245236.db2.gz	DIAYWCLMKLRTSI-VOTSOKGWSA-N	0	0	189.096	3.475	10	0		AGAERN
CCC(F)(F)c1ccc(F)cc1F	259046714	573245244	/nfs/dbraw/zinc/24/52/44/573245244.db2.gz	UOSJBBFTBRHGHS-UHFFFAOYSA-N	0	0	192.155	3.467	10	0		AGAERN
CC(C)C[C@]1(O)CC[C@@H](C)C[C@H]1C	82861272	573245356	/nfs/dbraw/zinc/24/53/56/573245356.db2.gz	ZRGSQTOLHHQSCB-IJLUTSLNSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@]1(O)C[C@@H](C)CC[C@H]1C	82861465	573245427	/nfs/dbraw/zinc/24/54/27/573245427.db2.gz	OTECYXZMYAFEOU-TUAOUCFPSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1ccc(SCC[C@@H](C)F)nc1	308320991	573246102	/nfs/dbraw/zinc/24/61/02/573246102.db2.gz	BCZGVAAKRUHSIR-SECBINFHSA-N	0	0	199.294	3.230	10	0		AGAERN
CCCC(CCC)c1ncc[nH]1	77952439	573246109	/nfs/dbraw/zinc/24/61/09/573246109.db2.gz	JJKMBDMBSITAQQ-UHFFFAOYSA-N	0	0	166.268	3.094	10	0		AGAERN
CCc1cc2cc(F)cc(C)c2[nH]1	238317246	573246115	/nfs/dbraw/zinc/24/61/15/573246115.db2.gz	ISDJPLIXFXIDFT-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
CCCC[C@@H](C)Nc1ccccn1	50889408	573246124	/nfs/dbraw/zinc/24/61/24/573246124.db2.gz	LYIHZLNMUMEREN-SNVBAGLBSA-N	0	0	178.279	3.072	10	0		AGAERN
CC(C)C(C)(C)c1ccccc1O	116112714	573246168	/nfs/dbraw/zinc/24/61/68/573246168.db2.gz	PCGVQXPTAGGURH-UHFFFAOYSA-N	0	0	178.275	3.326	10	0		AGAERN
CC(C)C[C@]1(O)C[C@@H](C)CC[C@@H]1C	82861463	573246336	/nfs/dbraw/zinc/24/63/36/573246336.db2.gz	OTECYXZMYAFEOU-SRVKXCTJSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@@H](C)Oc1cccc(F)c1	82865240	573247860	/nfs/dbraw/zinc/24/78/60/573247860.db2.gz	XAKXYGMSXIIRNN-MRVPVSSYSA-N	0	0	168.211	3.003	10	0		AGAERN
CC[C@@H](C)Oc1ccccc1F	82865125	573247965	/nfs/dbraw/zinc/24/79/65/573247965.db2.gz	GUKTVTDRHRCSDX-MRVPVSSYSA-N	0	0	168.211	3.003	10	0		AGAERN
CC[C@H](C)Oc1cccc(F)c1	82865241	573248068	/nfs/dbraw/zinc/24/80/68/573248068.db2.gz	XAKXYGMSXIIRNN-QMMMGPOBSA-N	0	0	168.211	3.003	10	0		AGAERN
CC1(C)CC[C@@]2(C)CCCC[C@@H]2[C@H]1O	105296705	573248215	/nfs/dbraw/zinc/24/82/15/573248215.db2.gz	TWAKZSCHVDAMDF-NQBHXWOUSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@@H]1CC[C@H](C(C)(C)C2CC2)[C@H](O)C1	82865652	573248302	/nfs/dbraw/zinc/24/83/02/573248302.db2.gz	OYDINDLIBGEICX-ADEWGFFLSA-N	0	0	196.334	3.220	10	0		AGAERN
CCc1cc2cc(C)cc(OC)c2[nH]1	238316879	573248350	/nfs/dbraw/zinc/24/83/50/573248350.db2.gz	HCUDHRLIWROGRL-UHFFFAOYSA-N	0	0	189.258	3.047	10	0		AGAERN
C/C=C/CSc1nccn1C(C)C	308322027	573248536	/nfs/dbraw/zinc/24/85/36/573248536.db2.gz	ZHRUSSOTEMCNDK-SNAWJCMRSA-N	0	0	196.319	3.132	10	0		AGAERN
C[C@H]1CC[C@@H](C(C)(C)C2CC2)C(=O)C1	82865429	573248555	/nfs/dbraw/zinc/24/85/55/573248555.db2.gz	JAOOHQPVSNYUTI-GXSJLCMTSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)=CCSCc1ncoc1C	308321921	573248639	/nfs/dbraw/zinc/24/86/39/573248639.db2.gz	BUJCFKJONKPSBM-UHFFFAOYSA-N	0	0	197.303	3.182	10	0		AGAERN
C/C=C/c1ccc([C@@H](O)CC)cc1	238317526	573248661	/nfs/dbraw/zinc/24/86/61/573248661.db2.gz	BVXOHKUWKCFPFH-PYEVWLCESA-N	0	0	176.259	3.163	10	0		AGAERN
CCc1cc2cc(C)c(F)cc2[nH]1	238316766	573248692	/nfs/dbraw/zinc/24/86/92/573248692.db2.gz	FNRKNYCYQBOACE-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
CC[C@H](O)/C=C(/Cl)c1ccccc1	238316422	573248825	/nfs/dbraw/zinc/24/88/25/573248825.db2.gz	VHLQWFVSNDHQGM-NGPGYTDTSA-N	0	0	196.677	3.037	10	0		AGAERN
CCCC[C@H](C)Nc1ccccn1	50889409	573248921	/nfs/dbraw/zinc/24/89/21/573248921.db2.gz	LYIHZLNMUMEREN-JTQLQIEISA-N	0	0	178.279	3.072	10	0		AGAERN
CCc1cc2cc(C)c(C)cc2[nH]1	238316717	573249101	/nfs/dbraw/zinc/24/91/01/573249101.db2.gz	UJHKRFNTAIRJIA-UHFFFAOYSA-N	0	0	173.259	3.347	10	0		AGAERN
C/C=C\CSc1nccn1C(C)C	308322026	573249792	/nfs/dbraw/zinc/24/97/92/573249792.db2.gz	ZHRUSSOTEMCNDK-PLNGDYQASA-N	0	0	196.319	3.132	10	0		AGAERN
CC(C)C(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O	82865658	573250000	/nfs/dbraw/zinc/25/00/00/573250000.db2.gz	RYXUCGWSDPIMDO-IJLUTSLNSA-N	0	0	198.350	3.466	10	0		AGAERN
CC[C@H](O)/C=C/c1cccc(Cl)c1	238316664	573250006	/nfs/dbraw/zinc/25/00/06/573250006.db2.gz	DVOPYUSGZVBSBW-MLRMMBSGSA-N	0	0	196.677	3.124	10	0		AGAERN
CC(C)=CCC[C@H](C)/C=C/C=C/CO	238419586	573250083	/nfs/dbraw/zinc/25/00/83/573250083.db2.gz	JYMJOWWNCOMZLX-GKJHTTHESA-N	0	0	194.318	3.474	10	0		AGAERN
C[C@@H]1CC[C@H](C(C)(C)C2CC2)C(=O)C1	82865427	573250112	/nfs/dbraw/zinc/25/01/12/573250112.db2.gz	JAOOHQPVSNYUTI-KOLCDFICSA-N	0	0	194.318	3.428	10	0		AGAERN
Cc1ccc(NC[C@@]2(C)C[C@@H]2C)cc1	714661803	573250789	/nfs/dbraw/zinc/25/07/89/573250789.db2.gz	XCCNPEUCEWVKMY-WCQYABFASA-N	0	0	189.302	3.453	10	0		AGAERN
CC[C@H](C)Oc1ccc(C)cc1	82865165	573251066	/nfs/dbraw/zinc/25/10/66/573251066.db2.gz	VALIDHVHMWCAQG-JTQLQIEISA-N	0	0	164.248	3.172	10	0		AGAERN
Cc1cc(-c2coc3ccccc23)on1	259049932	573251075	/nfs/dbraw/zinc/25/10/75/573251075.db2.gz	AMWDNVPVVHXAJL-UHFFFAOYSA-N	0	0	199.209	3.396	10	0		AGAERN
CCC(C)(C)[C@@H]1CC[C@@H](C)CC1=O	82865385	573251095	/nfs/dbraw/zinc/25/10/95/573251095.db2.gz	ZWJCAORPRZIDDP-NXEZZACHSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H](C)Oc1ccc(C)cc1	82865164	573251134	/nfs/dbraw/zinc/25/11/34/573251134.db2.gz	VALIDHVHMWCAQG-SNVBAGLBSA-N	0	0	164.248	3.172	10	0		AGAERN
CC[C@H](C)Oc1cccc(C)c1	82865219	573251390	/nfs/dbraw/zinc/25/13/90/573251390.db2.gz	DKSLDFDKIYEFGU-JTQLQIEISA-N	0	0	164.248	3.172	10	0		AGAERN
O=C(CC1CCC1)c1ccc(Cl)o1	236056035	573251396	/nfs/dbraw/zinc/25/13/96/573251396.db2.gz	PPLDNGXNKXENEO-UHFFFAOYSA-N	0	0	198.649	3.306	10	0		AGAERN
CCC(C)(C)[C@@H]1CC[C@H](C)CC1=O	82865383	573251413	/nfs/dbraw/zinc/25/14/13/573251413.db2.gz	ZWJCAORPRZIDDP-VHSXEESVSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC[C@H](C)Nc1ccc(O)c(F)c1	82878506	573253672	/nfs/dbraw/zinc/25/36/72/573253672.db2.gz	BUQGWIFSHIPHIX-QMMMGPOBSA-N	0	0	197.253	3.132	10	0		AGAERN
Cc1nc(N)sc1CCCC(C)C	258611382	573253666	/nfs/dbraw/zinc/25/36/66/573253666.db2.gz	AXLQVZNYLFFGCQ-UHFFFAOYSA-N	0	0	198.335	3.012	10	0		AGAERN
CC[C@H](O)/C=C\c1ccc(Cl)cc1	219670654	573252292	/nfs/dbraw/zinc/25/22/92/573252292.db2.gz	YATBLHLWWQVWKO-OFSNVTPPSA-N	0	0	196.677	3.124	10	0		AGAERN
CC[C@]1(C)CNc2c(C)ccc(F)c21	238318090	573252319	/nfs/dbraw/zinc/25/23/19/573252319.db2.gz	CCNRUDWHQDIGGY-GFCCVEGCSA-N	0	0	193.265	3.227	10	0		AGAERN
CCc1cc2ccc(F)c(C)c2[nH]1	238318060	573252330	/nfs/dbraw/zinc/25/23/30/573252330.db2.gz	DTVPZKJZEAMIMV-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
FC1(F)CC[C@H](c2ccco2)C1	258611212	573252398	/nfs/dbraw/zinc/25/23/98/573252398.db2.gz	ATSQSTVRCOUESI-ZETCQYMHSA-N	0	0	172.174	3.182	10	0		AGAERN
CCC1(CC(=O)[C@H]2C[C@H]2C)CCC1	308328678	573252430	/nfs/dbraw/zinc/25/24/30/573252430.db2.gz	IVYXEUGQTROSJQ-ZJUUUORDSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@H]1Nc2c(C)cccc2C[C@@H]1C	238318424	573252447	/nfs/dbraw/zinc/25/24/47/573252447.db2.gz	YWFPYGKVEAKFOV-CMPLNLGQSA-N	0	0	189.302	3.378	10	0		AGAERN
C=C=C1Cc2ccccc2N[C@@H]1CC	238318748	573252545	/nfs/dbraw/zinc/25/25/45/573252545.db2.gz	CXOHGQBOTRYZMK-GFCCVEGCSA-N	0	0	185.270	3.145	10	0		AGAERN
CC[C@]1(C)CNc2c(C)cc(F)cc21	238318061	573252601	/nfs/dbraw/zinc/25/26/01/573252601.db2.gz	OTZMDIBSKXOHIK-GFCCVEGCSA-N	0	0	193.265	3.227	10	0		AGAERN
CCc1cc2ccsc2cc1OC	238318657	573252611	/nfs/dbraw/zinc/25/26/11/573252611.db2.gz	HXBKNRHERFZBHN-UHFFFAOYSA-N	0	0	192.283	3.472	10	0		AGAERN
c1ccc2cc3c(cc2c1)CCCN3	116175511	573252701	/nfs/dbraw/zinc/25/27/01/573252701.db2.gz	FWYKJOPSCOWTGC-UHFFFAOYSA-N	0	0	183.254	3.198	10	0		AGAERN
CCCC(=O)[C@@H](C)c1ccccc1C	211922610	573253025	/nfs/dbraw/zinc/25/30/25/573253025.db2.gz	SYSQQYMGQFXISZ-NSHDSACASA-N	0	0	190.286	3.468	10	0		AGAERN
CC[C@H]1Nc2ccc(C)cc2[C@H]1C	238318634	573253053	/nfs/dbraw/zinc/25/30/53/573253053.db2.gz	XQRBNLZAIKEZOD-MWLCHTKSSA-N	0	0	175.275	3.303	10	0		AGAERN
CCC1(CC(=O)[C@@H]2C[C@@H]2C)CCC1	308328676	573253615	/nfs/dbraw/zinc/25/36/15/573253615.db2.gz	IVYXEUGQTROSJQ-VHSXEESVSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@@H]1C=C(C)Cc2ccccc2N1	238318729	573253098	/nfs/dbraw/zinc/25/30/98/573253098.db2.gz	FSZMKGFNXQYVLO-GFCCVEGCSA-N	0	0	187.286	3.380	10	0		AGAERN
C(=C\c1cn[nH]c1)\CC1CCCC1	308328767	573253105	/nfs/dbraw/zinc/25/31/05/573253105.db2.gz	IZTFXZCPXJDWHR-CLTKARDFSA-N	0	0	176.263	3.003	10	0		AGAERN
CCC(=O)C1CC(c2ccccc2)C1	226393909	573253172	/nfs/dbraw/zinc/25/31/72/573253172.db2.gz	RPVUGDHNPIBMPQ-UHFFFAOYSA-N	0	0	188.270	3.159	10	0		AGAERN
CC(C)Cc1cccc(Cl)c1CO	116176083	573253536	/nfs/dbraw/zinc/25/35/36/573253536.db2.gz	GFWCIOZFEIXYGP-UHFFFAOYSA-N	0	0	198.693	3.031	10	0		AGAERN
CCc1cc2ccc(C)c(OC)c2[nH]1	238317898	573253544	/nfs/dbraw/zinc/25/35/44/573253544.db2.gz	OFNLTERGZQQPBD-UHFFFAOYSA-N	0	0	189.258	3.047	10	0		AGAERN
Cc1cccc2c([C@@H](C)O)csc12	258250744	573254016	/nfs/dbraw/zinc/25/40/16/573254016.db2.gz	RFUXGGVSWGHYSQ-MRVPVSSYSA-N	0	0	192.283	3.263	10	0		AGAERN
CC[C@]1(C)CNc2c(F)ccc(C)c21	238318172	573254048	/nfs/dbraw/zinc/25/40/48/573254048.db2.gz	YHBKYUGTAWCXPF-GFCCVEGCSA-N	0	0	193.265	3.227	10	0		AGAERN
CC[C@]1(C)CNc2c1ccc(C)c2F	238318126	573254094	/nfs/dbraw/zinc/25/40/94/573254094.db2.gz	XTLZHOLXSSKUEN-GFCCVEGCSA-N	0	0	193.265	3.227	10	0		AGAERN
CC[C@H]1Nc2ccc(C)cc2C[C@@H]1C	238318610	573254133	/nfs/dbraw/zinc/25/41/33/573254133.db2.gz	OYWTVFLAGBNTJC-CMPLNLGQSA-N	0	0	189.302	3.378	10	0		AGAERN
CC[C@H]1Nc2ccc(C)cc2C[C@H]1C	238318619	573254155	/nfs/dbraw/zinc/25/41/55/573254155.db2.gz	OYWTVFLAGBNTJC-ZYHUDNBSSA-N	0	0	189.302	3.378	10	0		AGAERN
CCc1ccc2c(c1)[C@@](C)(CC)CN2	642883331	573254320	/nfs/dbraw/zinc/25/43/20/573254320.db2.gz	QWEFJXHIGFHADR-ZDUSSCGKSA-N	0	0	189.302	3.342	10	0		AGAERN
CC[C@H]1Nc2c(C)cccc2C[C@H]1C	238318433	573254557	/nfs/dbraw/zinc/25/45/57/573254557.db2.gz	YWFPYGKVEAKFOV-ZYHUDNBSSA-N	0	0	189.302	3.378	10	0		AGAERN
CC(C)/C(=C/C1CCCCC1)CO	211927290	573254594	/nfs/dbraw/zinc/25/45/94/573254594.db2.gz	NJYCAVPIJWFFOW-XYOKQWHBSA-N	0	0	182.307	3.141	10	0		AGAERN
CCC[C@@H](C)Nc1ccc(O)c(F)c1	82878504	573254595	/nfs/dbraw/zinc/25/45/95/573254595.db2.gz	BUQGWIFSHIPHIX-MRVPVSSYSA-N	0	0	197.253	3.132	10	0		AGAERN
CCc1cc2ccc(F)c(F)c2[nH]1	238318104	573254604	/nfs/dbraw/zinc/25/46/04/573254604.db2.gz	NHCXSGRKXYAJDR-UHFFFAOYSA-N	0	0	181.185	3.009	10	0		AGAERN
CCC(CC)Nc1ccc(O)c(F)c1	82878606	573254690	/nfs/dbraw/zinc/25/46/90/573254690.db2.gz	YCGZXROXYWLESS-UHFFFAOYSA-N	0	0	197.253	3.132	10	0		AGAERN
Cc1coc([C@@H](O)CC(C)(C)C)c1	715742351	573254851	/nfs/dbraw/zinc/25/48/51/573254851.db2.gz	CEOCQELXDRWVFY-VIFPVBQESA-N	0	0	182.263	3.058	10	0		AGAERN
CCc1cc2ccc(OC)c(C)c2[nH]1	238318285	573254911	/nfs/dbraw/zinc/25/49/11/573254911.db2.gz	BHFFMRBLHMVSJV-UHFFFAOYSA-N	0	0	189.258	3.047	10	0		AGAERN
CCc1cc2ccc(C)c(F)c2[nH]1	238317886	573254954	/nfs/dbraw/zinc/25/49/54/573254954.db2.gz	NSCDQEMAITYRKA-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
CC1=Cc2cccc(Cl)c2C1	116215678	573255077	/nfs/dbraw/zinc/25/50/77/573255077.db2.gz	KCWZBTAORNNKFH-UHFFFAOYSA-N	0	0	164.635	3.299	10	0		AGAERN
CCc1cc2ccc(C)c(C)c2[nH]1	238317843	573255200	/nfs/dbraw/zinc/25/52/00/573255200.db2.gz	IFXLLSBQJYEISE-UHFFFAOYSA-N	0	0	173.259	3.347	10	0		AGAERN
CCC(F)(F)c1ccc2[nH]cnc2c1	259055323	573255243	/nfs/dbraw/zinc/25/52/43/573255243.db2.gz	VXKOZNCNGQQVIN-UHFFFAOYSA-N	0	0	196.200	3.065	10	0		AGAERN
CC[C@H]1Nc2ccc(C)cc2[C@@H]1C	238318626	573255256	/nfs/dbraw/zinc/25/52/56/573255256.db2.gz	XQRBNLZAIKEZOD-GXSJLCMTSA-N	0	0	175.275	3.303	10	0		AGAERN
C1=Cc2cc3[nH]cnc3c3cccc1c23	200050296	573255825	/nfs/dbraw/zinc/25/58/25/573255825.db2.gz	FNURZQJWZORQGE-UHFFFAOYSA-N	0	0	192.221	3.200	10	0		AGAERN
C/C=C/CCC1=C(C)CC[C@@H](O)C1	222964901	573255861	/nfs/dbraw/zinc/25/58/61/573255861.db2.gz	NWYQRVODDSDSCT-AAOUONPWSA-N	0	0	180.291	3.204	10	0		AGAERN
CCCC[C@H](O)c1sccc1C	42731009	573256021	/nfs/dbraw/zinc/25/60/21/573256021.db2.gz	CQBRHRAXZQKKLD-VIFPVBQESA-N	0	0	184.304	3.280	10	0		AGAERN
CCC1(CC(=O)[C@H]2C[C@@H]2C)CCC1	308328674	573256097	/nfs/dbraw/zinc/25/60/97/573256097.db2.gz	IVYXEUGQTROSJQ-UWVGGRQHSA-N	0	0	180.291	3.182	10	0		AGAERN
CCc1cc2oc(C)c(C)c2cc1O	238319532	573256134	/nfs/dbraw/zinc/25/61/34/573256134.db2.gz	VPHCGCRYRHQKTQ-UHFFFAOYSA-N	0	0	190.242	3.318	10	0		AGAERN
CCCC[C@@H]1C[C@@H]1C(=O)C(C)C	238795139	573256495	/nfs/dbraw/zinc/25/64/95/573256495.db2.gz	GNJRFRWUFZCLPP-ZJUUUORDSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCC(=O)[C@H](C)c1ccccc1C	211922685	573256549	/nfs/dbraw/zinc/25/65/49/573256549.db2.gz	SYSQQYMGQFXISZ-LLVKDONJSA-N	0	0	190.286	3.468	10	0		AGAERN
CCC1(CC(=O)[C@@H]2C[C@H]2C)CCC1	308328671	573256569	/nfs/dbraw/zinc/25/65/69/573256569.db2.gz	IVYXEUGQTROSJQ-NXEZZACHSA-N	0	0	180.291	3.182	10	0		AGAERN
CCc1cc(C)c(CC)c(C)c1O	238319404	573257475	/nfs/dbraw/zinc/25/74/75/573257475.db2.gz	MWXLBYHDBPLSMP-UHFFFAOYSA-N	0	0	178.275	3.134	10	0		AGAERN
CCCC(=O)[C@H](C)[C@@H](C)CC	211921761	573256741	/nfs/dbraw/zinc/25/67/41/573256741.db2.gz	JUBKFUIMUYGQER-DTWKUNHWSA-N	0	0	156.269	3.038	10	0		AGAERN
Cc1coc([C@H](O)[C@@H](C)C(C)(C)C)c1	715743294	573258642	/nfs/dbraw/zinc/25/86/42/573258642.db2.gz	GWNSWZFHNZDOAX-MWLCHTKSSA-N	0	0	196.290	3.304	10	0		AGAERN
CCC1(CC2([C@H](C)O)CC2)CCC1	308329426	573259587	/nfs/dbraw/zinc/25/95/87/573259587.db2.gz	JOBBXTKWOYXHPE-JTQLQIEISA-N	0	0	182.307	3.118	10	0		AGAERN
CCc1cc(Cl)cc2c1CCC2=O	238326555	573260164	/nfs/dbraw/zinc/26/01/64/573260164.db2.gz	SVYKAHVMFPRIHL-UHFFFAOYSA-N	0	0	194.661	3.031	10	0		AGAERN
CCC(CC)COc1cccc(O)c1	129211935	573260951	/nfs/dbraw/zinc/26/09/51/573260951.db2.gz	HCFYZTRCCNDUJH-UHFFFAOYSA-N	0	0	194.274	3.207	10	0		AGAERN
CCN(C)c1cc(C)c(C)cc1C	259061322	573260307	/nfs/dbraw/zinc/26/03/07/573260307.db2.gz	KZTLZCQTFRAVQI-UHFFFAOYSA-N	0	0	177.291	3.068	10	0		AGAERN
Clc1cc[nH]c1-c1ccccc1	142334175	573260418	/nfs/dbraw/zinc/26/04/18/573260418.db2.gz	DHNMALLMLWZQLM-UHFFFAOYSA-N	0	0	177.634	3.335	10	0		AGAERN
CCC[C@@H](CC)[C@H](C)C(C)=O	238795174	573260733	/nfs/dbraw/zinc/26/07/33/573260733.db2.gz	WCUVWAUQFSXLFH-PSASIEDQSA-N	0	0	156.269	3.038	10	0		AGAERN
Cc1coc([C@H](O)[C@H](C)C(C)(C)C)c1	715743288	573260812	/nfs/dbraw/zinc/26/08/12/573260812.db2.gz	GWNSWZFHNZDOAX-GXSJLCMTSA-N	0	0	196.290	3.304	10	0		AGAERN
Cc1ccc(C)c(-c2ccnc(C)n2)c1	259057157	573261571	/nfs/dbraw/zinc/26/15/71/573261571.db2.gz	JSBZWKYZUPLXQY-UHFFFAOYSA-N	0	0	198.269	3.069	10	0		AGAERN
CCC(CC)COc1ccc(O)cc1	129211698	573261724	/nfs/dbraw/zinc/26/17/24/573261724.db2.gz	VZCPBOUQMIMDHG-UHFFFAOYSA-N	0	0	194.274	3.207	10	0		AGAERN
CCCNc1nccc2ccccc12	116320812	573262244	/nfs/dbraw/zinc/26/22/44/573262244.db2.gz	YOPAAHJXPCBWNB-UHFFFAOYSA-N	0	0	186.258	3.057	10	0		AGAERN
c1ccc(OCSCC2CC2)cc1	308332866	573262282	/nfs/dbraw/zinc/26/22/82/573262282.db2.gz	LSJUHJIEANSKOG-UHFFFAOYSA-N	0	0	194.299	3.166	10	0		AGAERN
CCC(C)(C)[C@@H]1CCC[C@H](O)CC1	642885974	573263848	/nfs/dbraw/zinc/26/38/48/573263848.db2.gz	ZNVOIQLOQYWQSB-MNOVXSKESA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1c(Cl)n(C)c2c(C)cccc12	257982587	573263960	/nfs/dbraw/zinc/26/39/60/573263960.db2.gz	OVAOAGSZGJUKCH-UHFFFAOYSA-N	0	0	193.677	3.449	10	0		AGAERN
COc1ccc(Cl)c(C(C)C)c1	116343021	573264187	/nfs/dbraw/zinc/26/41/87/573264187.db2.gz	SZIDWYNGYKJUEH-UHFFFAOYSA-N	0	0	184.666	3.472	10	0		AGAERN
C[C@H](CC1CC1)c1ccccc1N	142361806	573264307	/nfs/dbraw/zinc/26/43/07/573264307.db2.gz	PSXLBKQSOJKBBU-SECBINFHSA-N	0	0	175.275	3.172	10	0		AGAERN
CCc1c(O)cc(C)c2sccc12	116344080	573264383	/nfs/dbraw/zinc/26/43/83/573264383.db2.gz	DQWUPGBSSZEYPT-UHFFFAOYSA-N	0	0	192.283	3.478	10	0		AGAERN
CCC(CC)C[C@H](C)C(C)=O	129228243	573264522	/nfs/dbraw/zinc/26/45/22/573264522.db2.gz	UZLHRZANWFBOKF-QMMMGPOBSA-N	0	0	156.269	3.038	10	0		AGAERN
CC1CCC(CC[C@H](C)CO)CC1	308341281	573264943	/nfs/dbraw/zinc/26/49/43/573264943.db2.gz	QZFIYVFPZWVXCE-CXQJBGSLSA-N	0	0	184.323	3.221	10	0		AGAERN
CCC(CC)C[C@@H](C)C(C)=O	129228033	573265008	/nfs/dbraw/zinc/26/50/08/573265008.db2.gz	UZLHRZANWFBOKF-MRVPVSSYSA-N	0	0	156.269	3.038	10	0		AGAERN
Cc1cc(-c2ccccc2)c(N)s1	105554740	573265093	/nfs/dbraw/zinc/26/50/93/573265093.db2.gz	UPAKDXLWIYYMKK-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
CCCCc1ccc(O)c(F)c1F	142404306	573265529	/nfs/dbraw/zinc/26/55/29/573265529.db2.gz	FDCSVMVNQCKOMQ-UHFFFAOYSA-N	0	0	186.201	3.013	10	0		AGAERN
CCc1cc(Cl)ccc1CF	238327171	573266085	/nfs/dbraw/zinc/26/60/85/573266085.db2.gz	DKCQAALJBYYANE-UHFFFAOYSA-N	0	0	172.630	3.372	10	0		AGAERN
CO[C@H]1C[C@H](C(C)C)CC=C1C	142467710	573266202	/nfs/dbraw/zinc/26/62/02/573266202.db2.gz	NMNRQSITLBEMHI-MNOVXSKESA-N	0	0	168.280	3.014	10	0		AGAERN
C=Cc1cccc2cccc(O)c12	116383739	573266657	/nfs/dbraw/zinc/26/66/57/573266657.db2.gz	GOHJEFBAXKMHCN-UHFFFAOYSA-N	0	0	170.211	3.188	10	0		AGAERN
C[C@@H](O)/C=C\c1cccc(C(F)F)c1	308341378	573266923	/nfs/dbraw/zinc/26/69/23/573266923.db2.gz	FXTGAMVZRYCSLD-RPSMYOMKSA-N	0	0	198.212	3.018	10	0		AGAERN
CC(C)CC(F)(F)c1cccc(N)c1	259060405	573267023	/nfs/dbraw/zinc/26/70/23/573267023.db2.gz	WQGIQTZAPUKCOL-UHFFFAOYSA-N	0	0	199.244	3.407	10	0		AGAERN
CCc1cc2[nH]c(C)cc2c(Cl)n1	142450794	573269136	/nfs/dbraw/zinc/26/91/36/573269136.db2.gz	DKTMYUAYBJSJGV-UHFFFAOYSA-N	0	0	194.665	3.087	10	0		AGAERN
CCc1cc(Cl)ccc1COC	238327230	573267162	/nfs/dbraw/zinc/26/71/62/573267162.db2.gz	KJSFTCSWVOJYJK-UHFFFAOYSA-N	0	0	184.666	3.049	10	0		AGAERN
CC1CCC(CC[C@@H](C)CO)CC1	308341282	573267206	/nfs/dbraw/zinc/26/72/06/573267206.db2.gz	QZFIYVFPZWVXCE-MOENNCHZSA-N	0	0	184.323	3.221	10	0		AGAERN
C=Cc1cccc2ccc(O)cc12	116383767	573267474	/nfs/dbraw/zinc/26/74/74/573267474.db2.gz	JOPFSIVFVOJZSV-UHFFFAOYSA-N	0	0	170.211	3.188	10	0		AGAERN
CC(C)c1[nH]c(=S)n2ccccc12	142401168	573267504	/nfs/dbraw/zinc/26/75/04/573267504.db2.gz	VLQNOYKXTIMFIS-UHFFFAOYSA-N	0	0	192.287	3.120	10	0		AGAERN
C[C@@H](CC1CC1)c1ccccc1N	142361612	573267653	/nfs/dbraw/zinc/26/76/53/573267653.db2.gz	PSXLBKQSOJKBBU-VIFPVBQESA-N	0	0	175.275	3.172	10	0		AGAERN
CC1(C)CCc2cc(O)c(Cl)cc21	116349520	573267679	/nfs/dbraw/zinc/26/76/79/573267679.db2.gz	DNYNXTNUQNWJHI-UHFFFAOYSA-N	0	0	196.677	3.269	10	0		AGAERN
CCC(CC)Cn1cccc1C(C)=O	129273161	573267964	/nfs/dbraw/zinc/26/79/64/573267964.db2.gz	WCGSUIARCUGXBK-UHFFFAOYSA-N	0	0	193.290	3.127	10	0		AGAERN
CCC(CC)Cn1ccc(C(C)=O)c1	129273359	573268032	/nfs/dbraw/zinc/26/80/32/573268032.db2.gz	MFWLWOHPPNAYBO-UHFFFAOYSA-N	0	0	193.290	3.127	10	0		AGAERN
Cc1ccc2oc3cc(C=O)[nH]c3c2c1	259061053	573268207	/nfs/dbraw/zinc/26/82/07/573268207.db2.gz	BLLSECZFRLHPJW-UHFFFAOYSA-N	0	0	199.209	3.035	10	0		AGAERN
C[C@H](O)/C=C\c1cccc(C(F)F)c1	308341380	573268215	/nfs/dbraw/zinc/26/82/15/573268215.db2.gz	FXTGAMVZRYCSLD-SLGIHZDVSA-N	0	0	198.212	3.018	10	0		AGAERN
CC(C)(C)[C@@H](O)/C=C/c1ccccc1	142368509	573268231	/nfs/dbraw/zinc/26/82/31/573268231.db2.gz	SSLOCCVNUSYUIX-VMPCVLLUSA-N	0	0	190.286	3.107	10	0		AGAERN
Cc1cc(-c2cccs2)c(N)s1	105554842	573268403	/nfs/dbraw/zinc/26/84/03/573268403.db2.gz	AHFDPBAPKWHSQJ-UHFFFAOYSA-N	0	0	195.312	3.367	10	0		AGAERN
CC1(C)CCCCc2cc(O)ccc21	116348078	573268484	/nfs/dbraw/zinc/26/84/84/573268484.db2.gz	QENCYIVHLCAORF-UHFFFAOYSA-N	0	0	190.286	3.396	10	0		AGAERN
C[C@H](O)/C=C\c1ccc(C(F)F)cc1	308339312	573268736	/nfs/dbraw/zinc/26/87/36/573268736.db2.gz	BPDCPTFESRLVGF-KZUAUGPASA-N	0	0	198.212	3.018	10	0		AGAERN
CC(C)c1cc(F)c(F)c([C@H](C)[NH3+])c1	258275469	573268768	/nfs/dbraw/zinc/26/87/68/573268768.db2.gz	ZPIVUBFLNUJHAQ-ZETCQYMHSA-N	0	0	199.244	3.108	10	0		AGAERN
CCC[C@@H]1CCC[C@H](C(=O)OCC)C1	259605534	573268831	/nfs/dbraw/zinc/26/88/31/573268831.db2.gz	MKFOKHZBAMXFRI-MNOVXSKESA-N	0	0	198.306	3.156	10	0		AGAERN
CCc1cc(-c2ccco2)c(N)s1	105555469	573268833	/nfs/dbraw/zinc/26/88/33/573268833.db2.gz	HZGHFWXPVORGGT-UHFFFAOYSA-N	0	0	193.271	3.153	10	0		AGAERN
CNc1ccc2c(c1)C1CCC2CC1	238329901	573269317	/nfs/dbraw/zinc/26/93/17/573269317.db2.gz	IYRZSPQNTGYIAO-UHFFFAOYSA-N	0	0	187.286	3.483	10	0		AGAERN
CC(C)(C)OCc1cc(Cl)ccn1	86130766	573269616	/nfs/dbraw/zinc/26/96/16/573269616.db2.gz	HXCOOJUYJBLEJO-UHFFFAOYSA-N	0	0	199.681	3.050	10	0		AGAERN
CC(C)c1cc(F)c(F)c([C@@H](C)[NH3+])c1	258275465	573269740	/nfs/dbraw/zinc/26/97/40/573269740.db2.gz	ZPIVUBFLNUJHAQ-SSDOTTSWSA-N	0	0	199.244	3.108	10	0		AGAERN
CCC[C@H]1CCC[C@H](C(=O)OCC)C1	259605537	573270521	/nfs/dbraw/zinc/27/05/21/573270521.db2.gz	MKFOKHZBAMXFRI-QWRGUYRKSA-N	0	0	198.306	3.156	10	0		AGAERN
CC(C)SCc1cncn1C(C)C	257987145	573272685	/nfs/dbraw/zinc/27/26/85/573272685.db2.gz	BDVOIUQDKVISME-UHFFFAOYSA-N	0	0	198.335	3.106	10	0		AGAERN
c1ccc2c(c1)NCCC21CCCC1	257988532	573272485	/nfs/dbraw/zinc/27/24/85/573272485.db2.gz	KINUUVGIJABNDO-UHFFFAOYSA-N	0	0	187.286	3.314	10	0		AGAERN
CC[C@@H](NC(C)=S)c1ccccc1	142420264	573272537	/nfs/dbraw/zinc/27/25/37/573272537.db2.gz	OKEQIISMJNXAST-LLVKDONJSA-N	0	0	193.315	3.075	10	0		AGAERN
CCCC[C@H](C)n1cc[nH]c1=S	50889626	573275359	/nfs/dbraw/zinc/27/53/59/573275359.db2.gz	IDAHXFVLHYBUHW-QMMMGPOBSA-N	0	0	184.308	3.297	10	0		AGAERN
CCC(=O)[C@@H](C)c1cc(F)ccc1F	86161557	573277138	/nfs/dbraw/zinc/27/71/38/573277138.db2.gz	IZGKYDNDQUUUCK-ZETCQYMHSA-N	0	0	198.212	3.047	10	0		AGAERN
CCC(=O)[C@@H](C)c1ccc(C)cc1C	86161589	573278868	/nfs/dbraw/zinc/27/88/68/573278868.db2.gz	IITGSFQPTQWEMC-NSHDSACASA-N	0	0	190.286	3.386	10	0		AGAERN
CCC(=O)[C@H](C)c1ccc(C)cc1	86161534	573275211	/nfs/dbraw/zinc/27/52/11/573275211.db2.gz	QJWCIWHOEWRMKZ-SNVBAGLBSA-N	0	0	176.259	3.078	10	0		AGAERN
CCC(=O)[C@H](C)c1ccccc1C	86161574	573275524	/nfs/dbraw/zinc/27/55/24/573275524.db2.gz	JHUIIBLCHSQNDC-SNVBAGLBSA-N	0	0	176.259	3.078	10	0		AGAERN
C/C(=C\c1ccccc1)[C@H](C)CCO	238433065	573275529	/nfs/dbraw/zinc/27/55/29/573275529.db2.gz	AWVMARVOEPNISO-KPMWUXBGSA-N	0	0	190.286	3.108	10	0		AGAERN
CCCC[C@@H](C)n1c(C)n[nH]c1=S	50889726	573280296	/nfs/dbraw/zinc/28/02/96/573280296.db2.gz	PUHQTMNZFYBMNO-SSDOTTSWSA-N	0	0	199.323	3.000	10	0		AGAERN
CC[C@@H](C)CC(=O)c1[nH]cc(C)c1C	308536573	573278101	/nfs/dbraw/zinc/27/81/01/573278101.db2.gz	LMWMDKKAWYCDMU-MRVPVSSYSA-N	0	0	193.290	3.250	10	0		AGAERN
CCC(=O)[C@@H](C)c1ccc(F)c(F)c1	86161720	573278163	/nfs/dbraw/zinc/27/81/63/573278163.db2.gz	NFMJUENILMVEMS-ZETCQYMHSA-N	0	0	198.212	3.047	10	0		AGAERN
CCC(=O)[C@H](C)c1ccc(Cl)cc1	86161567	573278272	/nfs/dbraw/zinc/27/82/72/573278272.db2.gz	DMUZDBNNRSHGJQ-MRVPVSSYSA-N	0	0	196.677	3.423	10	0		AGAERN
CCC(=O)[C@@H]1C[C@@H](C)CC[C@@H]1C	86161692	573278291	/nfs/dbraw/zinc/27/82/91/573278291.db2.gz	WFBSTOBVVDHROT-LPEHRKFASA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(=O)[C@@H](C)c1c(F)cccc1F	86161675	573278298	/nfs/dbraw/zinc/27/82/98/573278298.db2.gz	PTROJGQZOXKPSI-SSDOTTSWSA-N	0	0	198.212	3.047	10	0		AGAERN
CCC(=O)[C@@H]1CC[C@H](C)C[C@@H]1C	86161632	573278402	/nfs/dbraw/zinc/27/84/02/573278402.db2.gz	VXHFQZUJCDQABC-LPEHRKFASA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(=O)C1[C@H](C)CCC[C@H]1C	86161689	573278471	/nfs/dbraw/zinc/27/84/71/573278471.db2.gz	OLSKLQKLUKRTCC-RKDXNWHRSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(=O)[C@H](C)c1c(F)cccc1F	86161676	573278540	/nfs/dbraw/zinc/27/85/40/573278540.db2.gz	PTROJGQZOXKPSI-ZETCQYMHSA-N	0	0	198.212	3.047	10	0		AGAERN
CCC(=O)[C@H](C)c1cc(F)ccc1F	86161558	573278771	/nfs/dbraw/zinc/27/87/71/573278771.db2.gz	IZGKYDNDQUUUCK-SSDOTTSWSA-N	0	0	198.212	3.047	10	0		AGAERN
CCC(=O)[C@@H](C)c1ccc(C)c(C)c1	86161657	573278574	/nfs/dbraw/zinc/27/85/74/573278574.db2.gz	KVZALOCKUMPMJV-NSHDSACASA-N	0	0	190.286	3.386	10	0		AGAERN
CCC(=O)[C@@H]1CCC[C@H](C)CC1	86161700	573278597	/nfs/dbraw/zinc/27/85/97/573278597.db2.gz	MLTXNOYOFRYGML-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC(=O)[C@H]1CCC[C@H](C)CC1	86161701	573279084	/nfs/dbraw/zinc/27/90/84/573279084.db2.gz	MLTXNOYOFRYGML-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC(=O)[C@H](C)c1cccc(Cl)c1	86161713	573278834	/nfs/dbraw/zinc/27/88/34/573278834.db2.gz	VQMRHHWHGUXVJO-MRVPVSSYSA-N	0	0	196.677	3.423	10	0		AGAERN
CC(C)[C@@H](c1ccccc1N)C(F)F	257992002	573278967	/nfs/dbraw/zinc/27/89/67/573278967.db2.gz	FLRISCFKNIEXFY-JTQLQIEISA-N	0	0	199.244	3.274	10	0		AGAERN
CCC(=O)[C@@H]1CCC[C@@H](C)[C@@H]1C	86161615	573279064	/nfs/dbraw/zinc/27/90/64/573279064.db2.gz	DHTQEJOUCFQSHD-KXUCPTDWSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(=O)[C@H](C)c1ccc(F)cc1F	86161660	573279751	/nfs/dbraw/zinc/27/97/51/573279751.db2.gz	JVMQIZYQJULREG-SSDOTTSWSA-N	0	0	198.212	3.047	10	0		AGAERN
CCC(=O)[C@@H](C)c1ccc(C)s1	86161661	573279584	/nfs/dbraw/zinc/27/95/84/573279584.db2.gz	SDEKADLNFTVORH-MRVPVSSYSA-N	0	0	182.288	3.139	10	0		AGAERN
Cc1ccc2c(c1)cc(C=O)n2C1CC1	257990294	573279592	/nfs/dbraw/zinc/27/95/92/573279592.db2.gz	FGUSTRMSVSPDEL-UHFFFAOYSA-N	0	0	199.253	3.097	10	0		AGAERN
CCC(=O)[C@H](C)c1ccc(C)s1	86161662	573279716	/nfs/dbraw/zinc/27/97/16/573279716.db2.gz	SDEKADLNFTVORH-QMMMGPOBSA-N	0	0	182.288	3.139	10	0		AGAERN
CCC(=O)[C@@H]1CCCC(C)(C)C1	86161599	573279758	/nfs/dbraw/zinc/27/97/58/573279758.db2.gz	XKLRVGHRBMLVRF-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC(=O)[C@@H]1CCC[C@@H](C)CC1	86161702	573279888	/nfs/dbraw/zinc/27/98/88/573279888.db2.gz	MLTXNOYOFRYGML-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1ccc([C@@H](C)C(=O)C(C)C)cc1	86166967	573280220	/nfs/dbraw/zinc/28/02/20/573280220.db2.gz	VKVMWRYCXACONH-LLVKDONJSA-N	0	0	190.286	3.324	10	0		AGAERN
CC(C)C(=O)[C@H]1CCCC(C)(C)C1	86167090	573280334	/nfs/dbraw/zinc/28/03/34/573280334.db2.gz	RWCYDYUSNDFXPH-JTQLQIEISA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H](O)[C@@H](C)c1ccccc1Cl	86166915	573280417	/nfs/dbraw/zinc/28/04/17/573280417.db2.gz	PTHGTOVFOLWLHB-GZMMTYOYSA-N	0	0	198.693	3.214	10	0		AGAERN
CC[C@H](O)[C@@H](C)c1cc(C)ccc1C	86166610	573280425	/nfs/dbraw/zinc/28/04/25/573280425.db2.gz	MYEPCFBAHUMWNU-AAEUAGOBSA-N	0	0	192.302	3.178	10	0		AGAERN
CC[C@H](C)CC(=O)c1[nH]cc(C)c1C	308536574	573280428	/nfs/dbraw/zinc/28/04/28/573280428.db2.gz	LMWMDKKAWYCDMU-QMMMGPOBSA-N	0	0	193.290	3.250	10	0		AGAERN
CC[C@H](O)C1CCCCCCC1	86166769	573280622	/nfs/dbraw/zinc/28/06/22/573280622.db2.gz	YGGVSXBJDKOSHA-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
CC[C@H](O)[C@H](C)c1ccccc1Cl	86166916	573280637	/nfs/dbraw/zinc/28/06/37/573280637.db2.gz	PTHGTOVFOLWLHB-KCJUWKMLSA-N	0	0	198.693	3.214	10	0		AGAERN
CCC(CC)C[C@](C)(O)c1ccoc1	129422762	573280711	/nfs/dbraw/zinc/28/07/11/573280711.db2.gz	CXNBBRXWEWWTIK-LBPRGKRZSA-N	0	0	196.290	3.313	10	0		AGAERN
CCCCCC(=O)c1ccccc1N	82924890	573280774	/nfs/dbraw/zinc/28/07/74/573280774.db2.gz	BUZPTYDOINUFOF-UHFFFAOYSA-N	0	0	191.274	3.032	10	0		AGAERN
CC[C@H](O)[C@@H](C)c1ccc(Cl)cc1	86166667	573280755	/nfs/dbraw/zinc/28/07/55/573280755.db2.gz	YDKJDBCHUKHULN-KWQFWETISA-N	0	0	198.693	3.214	10	0		AGAERN
CCC(CC)C[C@@](C)(O)c1ccoc1	129423048	573281374	/nfs/dbraw/zinc/28/13/74/573281374.db2.gz	CXNBBRXWEWWTIK-GFCCVEGCSA-N	0	0	196.290	3.313	10	0		AGAERN
Cc1ncc(-c2cccc(Cl)c2)o1	116477726	573283500	/nfs/dbraw/zinc/28/35/00/573283500.db2.gz	KAAOUNHODGZJQC-UHFFFAOYSA-N	0	0	193.633	3.303	10	0		AGAERN
Cc1ccc(Cl)c2oc(C=O)cc12	74245614	573283514	/nfs/dbraw/zinc/28/35/14/573283514.db2.gz	NLUUMGLCZGJYIB-UHFFFAOYSA-N	0	0	194.617	3.207	10	0		AGAERN
CCCC[C@H](C)n1c(C)n[nH]c1=S	50889727	573282056	/nfs/dbraw/zinc/28/20/56/573282056.db2.gz	PUHQTMNZFYBMNO-ZETCQYMHSA-N	0	0	199.323	3.000	10	0		AGAERN
CC[C@H](O)[C@@H]1C[C@H](C)CC(C)(C)C1	86166312	573282225	/nfs/dbraw/zinc/28/22/25/573282225.db2.gz	MKGGNUIBEQWTGX-AXFHLTTASA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C(=O)[C@@H](C)c1ccc(F)cc1	86167404	573282232	/nfs/dbraw/zinc/28/22/32/573282232.db2.gz	OOQHNCBFLYIZEJ-VIFPVBQESA-N	0	0	194.249	3.154	10	0		AGAERN
CC(C)C(=O)[C@H]1CC[C@@H](C)C[C@H]1C	86167153	573282236	/nfs/dbraw/zinc/28/22/36/573282236.db2.gz	CZVCCEQFIVUNCG-MXWKQRLJSA-N	0	0	182.307	3.284	10	0		AGAERN
CC[C@@H](C)[C@H](C)C(=O)c1ccoc1	230583761	573282246	/nfs/dbraw/zinc/28/22/46/573282246.db2.gz	LANLDTZSDIWKBT-BDAKNGLRSA-N	0	0	180.247	3.145	10	0		AGAERN
CCCC[C@@H](CC)C(=O)C(C)C	86167112	573282321	/nfs/dbraw/zinc/28/23/21/573282321.db2.gz	YRENCGZVPLYVNK-SNVBAGLBSA-N	0	0	170.296	3.428	10	0		AGAERN
CC[C@@H](O)[C@@H](C)c1ccc(C)c(C)c1	86166587	573282401	/nfs/dbraw/zinc/28/24/01/573282401.db2.gz	FHFGUXNIOQENNW-WCQYABFASA-N	0	0	192.302	3.178	10	0		AGAERN
CC[C@@H](O)[C@@H](C)c1cc(C)ccc1C	86166612	573282418	/nfs/dbraw/zinc/28/24/18/573282418.db2.gz	MYEPCFBAHUMWNU-WCQYABFASA-N	0	0	192.302	3.178	10	0		AGAERN
CC(C)C(=O)C1[C@@H](C)CCC[C@@H]1C	86167281	573282595	/nfs/dbraw/zinc/28/25/95/573282595.db2.gz	YKNXIEAYSQKCNU-UWVGGRQHSA-N	0	0	182.307	3.284	10	0		AGAERN
CC[C@H](O)[C@H](C)c1ccc(C)cc1C	86166534	573282774	/nfs/dbraw/zinc/28/27/74/573282774.db2.gz	WZAVEYRIKXCYCJ-YPMHNXCESA-N	0	0	192.302	3.178	10	0		AGAERN
CC(C)C(=O)[C@H](C)c1ccccc1	86167395	573282841	/nfs/dbraw/zinc/28/28/41/573282841.db2.gz	PIHILDSKUZXCLF-SNVBAGLBSA-N	0	0	176.259	3.015	10	0		AGAERN
CC[C@H](O)[C@H](C)c1cc(C)ccc1C	86166614	573282918	/nfs/dbraw/zinc/28/29/18/573282918.db2.gz	MYEPCFBAHUMWNU-YPMHNXCESA-N	0	0	192.302	3.178	10	0		AGAERN
CC(C)C(=O)[C@@H]1CCC[C@@H](C)[C@H]1C	86167121	573282952	/nfs/dbraw/zinc/28/29/52/573282952.db2.gz	PYYROBLWICTNJP-GMTAPVOTSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)C(=O)[C@H](C)c1ccccc1F	86167229	573282959	/nfs/dbraw/zinc/28/29/59/573282959.db2.gz	ORRQEJVFCJGUNU-SECBINFHSA-N	0	0	194.249	3.154	10	0		AGAERN
CCC[C@@](C)(Br)CC	116467137	573282972	/nfs/dbraw/zinc/28/29/72/573282972.db2.gz	XUSOXJJDAVAVIH-ZETCQYMHSA-N	0	0	179.101	3.350	10	0		AGAERN
Cc1ccccc1[C@H](C)C(=O)C(C)C	86167040	573283481	/nfs/dbraw/zinc/28/34/81/573283481.db2.gz	BMTBZMMEPVGSQB-NSHDSACASA-N	0	0	190.286	3.324	10	0		AGAERN
CC[C@@H](O)[C@H](C)c1ccc(Cl)cc1	86166674	573283008	/nfs/dbraw/zinc/28/30/08/573283008.db2.gz	YDKJDBCHUKHULN-LDYMZIIASA-N	0	0	198.693	3.214	10	0		AGAERN
CC(C)C(=O)[C@@H](C)C1CCCC1	86167365	573283060	/nfs/dbraw/zinc/28/30/60/573283060.db2.gz	XDIXUOBUUMOARC-VIFPVBQESA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@@H](O)[C@@H]1CCCC(C)(C)CC1	86166379	573283488	/nfs/dbraw/zinc/28/34/88/573283488.db2.gz	CNIZSBKBLRPOAL-GHMZBOCLSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1ccc([C@@H](C)C(=O)C(C)C)s1	86167223	573283152	/nfs/dbraw/zinc/28/31/52/573283152.db2.gz	SJJSLXDTPNMTJI-SECBINFHSA-N	0	0	196.315	3.385	10	0		AGAERN
CC[C@@H](O)[C@H](C)c1ccccc1Cl	86166918	573283213	/nfs/dbraw/zinc/28/32/13/573283213.db2.gz	PTHGTOVFOLWLHB-LDYMZIIASA-N	0	0	198.693	3.214	10	0		AGAERN
CC[C@H](O)[C@@H]1CCCC(C)(C)CC1	86166378	573283252	/nfs/dbraw/zinc/28/32/52/573283252.db2.gz	CNIZSBKBLRPOAL-MNOVXSKESA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@H]1CCCn2c1cnc2C(C)(C)C	258619265	573283260	/nfs/dbraw/zinc/28/32/60/573283260.db2.gz	VZAGXBJRHDVBPH-SECBINFHSA-N	0	0	192.306	3.078	10	0		AGAERN
CC[C@@H](O)[C@@H](C)c1ccc(Cl)cc1	86166670	573283300	/nfs/dbraw/zinc/28/33/00/573283300.db2.gz	YDKJDBCHUKHULN-GZMMTYOYSA-N	0	0	198.693	3.214	10	0		AGAERN
CC(C)C(=O)[C@H](C)c1cccc(F)c1	86167363	573283341	/nfs/dbraw/zinc/28/33/41/573283341.db2.gz	DFZOEEMTKGACBI-SECBINFHSA-N	0	0	194.249	3.154	10	0		AGAERN
C[C@H]1CCCn2c1cnc2C(C)(C)C	258619267	573283384	/nfs/dbraw/zinc/28/33/84/573283384.db2.gz	VZAGXBJRHDVBPH-VIFPVBQESA-N	0	0	192.306	3.078	10	0		AGAERN
CC[C@H](O)[C@@H](C)c1ccc(C)cc1C	86166530	573283392	/nfs/dbraw/zinc/28/33/92/573283392.db2.gz	WZAVEYRIKXCYCJ-AAEUAGOBSA-N	0	0	192.302	3.178	10	0		AGAERN
CC[C@@H](O)[C@@H](C)c1ccc(C)cc1C	86166532	573284243	/nfs/dbraw/zinc/28/42/43/573284243.db2.gz	WZAVEYRIKXCYCJ-WCQYABFASA-N	0	0	192.302	3.178	10	0		AGAERN
CC[C@H](O)[C@H]1C[C@H](C)CC(C)(C)C1	86166315	573284251	/nfs/dbraw/zinc/28/42/51/573284251.db2.gz	MKGGNUIBEQWTGX-DCAQKATOSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H](O)[C@@H](C)c1ccccc1Cl	86166913	573284258	/nfs/dbraw/zinc/28/42/58/573284258.db2.gz	PTHGTOVFOLWLHB-KWQFWETISA-N	0	0	198.693	3.214	10	0		AGAERN
CC(C)C(=O)[C@H]1CCC[C@@H](C)CC1	86167306	573284997	/nfs/dbraw/zinc/28/49/97/573284997.db2.gz	HQUZAFYUYSCONZ-MNOVXSKESA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)[C@@H](O)C1CCCCCCC1	86183446	573286037	/nfs/dbraw/zinc/28/60/37/573286037.db2.gz	JQRUQNINTFKPPC-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)[C@H](C)C(=O)c1ccoc1	230583799	573285592	/nfs/dbraw/zinc/28/55/92/573285592.db2.gz	LANLDTZSDIWKBT-IUCAKERBSA-N	0	0	180.247	3.145	10	0		AGAERN
CC(C)[C@@H](O)[C@H]1CCC[C@@H](C)CC1	86183565	573285632	/nfs/dbraw/zinc/28/56/32/573285632.db2.gz	PJWZKOQHQRZVMR-GRYCIOLGSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@@H](O)[C@@H]1CCCC(C)(C)C1	86183797	573285775	/nfs/dbraw/zinc/28/57/75/573285775.db2.gz	QSOOFCCNFYWUGM-GHMZBOCLSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@@H](O)[C@@H](C)C1CCCCC1	86182798	573285943	/nfs/dbraw/zinc/28/59/43/573285943.db2.gz	LYNLJGCMDVTUNW-CMPLNLGQSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@@H](O)[C@H]1CCCC(C)(C)C1	86183802	573287257	/nfs/dbraw/zinc/28/72/57/573287257.db2.gz	QSOOFCCNFYWUGM-WDEREUQCSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@H](O)C1CCCCCCC1	86183442	573286721	/nfs/dbraw/zinc/28/67/21/573286721.db2.gz	JQRUQNINTFKPPC-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@](C)(Br)CC	116467138	573286754	/nfs/dbraw/zinc/28/67/54/573286754.db2.gz	XUSOXJJDAVAVIH-SSDOTTSWSA-N	0	0	179.101	3.350	10	0		AGAERN
Cc1ccc([C@@H](C)[C@H](O)C(C)C)cc1	86183280	573287216	/nfs/dbraw/zinc/28/72/16/573287216.db2.gz	SQDCHGSRYKDMHE-DGCLKSJQSA-N	0	0	192.302	3.115	10	0		AGAERN
CCCC(=O)COC1CCCCCC1	50185498	573287420	/nfs/dbraw/zinc/28/74/20/573287420.db2.gz	CNZGPTOXFFVYFN-UHFFFAOYSA-N	0	0	198.306	3.095	10	0		AGAERN
CC(C)[C@H](O)[C@H]1CCCC(C)(C)C1	86183799	573287441	/nfs/dbraw/zinc/28/74/41/573287441.db2.gz	QSOOFCCNFYWUGM-QWRGUYRKSA-N	0	0	184.323	3.220	10	0		AGAERN
CCCC/C=C\C(=O)/C=C\Cl	393581031	573287516	/nfs/dbraw/zinc/28/75/16/573287516.db2.gz	MPPQRAJWZOUUMT-ISTTXYCBSA-N	0	0	172.655	3.054	10	0		AGAERN
CCCC[C@@H](CC)[C@H](O)C(C)C	86182923	573287730	/nfs/dbraw/zinc/28/77/30/573287730.db2.gz	ZRTFQKYQABUPFJ-GHMZBOCLSA-N	0	0	172.312	3.220	10	0		AGAERN
CC(C)[C@@H](O)[C@H](C)C1CCCCC1	86182804	573287739	/nfs/dbraw/zinc/28/77/39/573287739.db2.gz	LYNLJGCMDVTUNW-ZYHUDNBSSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(=O)c1cccc2c(C)csc12	258277890	573287759	/nfs/dbraw/zinc/28/77/59/573287759.db2.gz	ZJRXIFHERAMCJZ-UHFFFAOYSA-N	0	0	190.267	3.412	10	0		AGAERN
Cc1ccc([C@H](C)[C@@H](O)C(C)C)s1	86182919	573287770	/nfs/dbraw/zinc/28/77/70/573287770.db2.gz	FLHBNALRZGYXBI-ONGXEEELSA-N	0	0	198.331	3.177	10	0		AGAERN
Cc1ccc2c(ccn2C(F)F)c1	123975405	573287799	/nfs/dbraw/zinc/28/77/99/573287799.db2.gz	LYWNAEMAPIUMAW-UHFFFAOYSA-N	0	0	181.185	3.345	10	0		AGAERN
CC(C)[C@@H](O)[C@H]1CC[C@@H](C)C[C@H]1C	86183401	573287802	/nfs/dbraw/zinc/28/78/02/573287802.db2.gz	OFIOMZUFMDMAEQ-WISYIIOYSA-N	0	0	184.323	3.076	10	0		AGAERN
COc1cc(Cl)cc2cc(C)[nH]c12	238334854	573288689	/nfs/dbraw/zinc/28/86/89/573288689.db2.gz	QBOGVBSVWDYBRC-UHFFFAOYSA-N	0	0	195.649	3.138	10	0		AGAERN
CC(C)[C@H](O)[C@@H]1CCCC(C)(C)C1	86183795	573288737	/nfs/dbraw/zinc/28/87/37/573288737.db2.gz	QSOOFCCNFYWUGM-MNOVXSKESA-N	0	0	184.323	3.220	10	0		AGAERN
CC1=C[C@@H](C)c2c(C)ccc(O)c21	197020444	573288833	/nfs/dbraw/zinc/28/88/33/573288833.db2.gz	IYLIGEWIVXHFQU-MRVPVSSYSA-N	0	0	174.243	3.221	10	0		AGAERN
Cc1ccc2c(C)ccc(N)c2c1	116527935	573288859	/nfs/dbraw/zinc/28/88/59/573288859.db2.gz	CYEVFXOJJIMJGD-UHFFFAOYSA-N	0	0	171.243	3.039	10	0		AGAERN
CCc1cc(O)c(C)c2c1CCCC2	238334919	573288986	/nfs/dbraw/zinc/28/89/86/573288986.db2.gz	WPSXORRWYBTUFC-UHFFFAOYSA-N	0	0	190.286	3.142	10	0		AGAERN
CC(C)[C@H](O)[C@H](C)C1CCCCC1	86182802	573289000	/nfs/dbraw/zinc/28/90/00/573289000.db2.gz	LYNLJGCMDVTUNW-PWSUYJOCSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@H](C)c1ccccc1N	116505682	573289003	/nfs/dbraw/zinc/28/90/03/573289003.db2.gz	DBMRKUCYKBVQKO-VIFPVBQESA-N	0	0	163.264	3.028	10	0		AGAERN
CC(C)CC[C@@H](C)[C@@H](O)C(C)C	86183456	573289072	/nfs/dbraw/zinc/28/90/72/573289072.db2.gz	XPTLVFUBLLCKCX-MNOVXSKESA-N	0	0	172.312	3.076	10	0		AGAERN
CC[C@H](C)[C@@H](C)C(=O)c1ccoc1	230583721	573289265	/nfs/dbraw/zinc/28/92/65/573289265.db2.gz	LANLDTZSDIWKBT-DTWKUNHWSA-N	0	0	180.247	3.145	10	0		AGAERN
CCCCc1cccc(NC)c1	259066904	573289390	/nfs/dbraw/zinc/28/93/90/573289390.db2.gz	GNLQTKBLSMQZJE-UHFFFAOYSA-N	0	0	163.264	3.071	10	0		AGAERN
Oc1ccccc1[C@@H](C(F)F)C1CC1	257993753	573289432	/nfs/dbraw/zinc/28/94/32/573289432.db2.gz	FOMNCFYRZWYOMR-JTQLQIEISA-N	0	0	198.212	3.151	10	0		AGAERN
Oc1ccccc1[C@H](C(F)F)C1CC1	257993757	573290991	/nfs/dbraw/zinc/29/09/91/573290991.db2.gz	FOMNCFYRZWYOMR-SNVBAGLBSA-N	0	0	198.212	3.151	10	0		AGAERN
Cc1cccc2c1c(C)c(Cl)n2C	257998244	573292439	/nfs/dbraw/zinc/29/24/39/573292439.db2.gz	PWYZQVYRRUPCJO-UHFFFAOYSA-N	0	0	193.677	3.449	10	0		AGAERN
CC(=O)c1ccc([C@@H]2CC2(F)F)cc1	257995560	573292453	/nfs/dbraw/zinc/29/24/53/573292453.db2.gz	FUFCEQKOISUEFM-JTQLQIEISA-N	0	0	196.196	3.012	10	0		AGAERN
C[C@@H](O)c1ccc2c(c1)[C@H](C)CCC2	257996600	573292554	/nfs/dbraw/zinc/29/25/54/573292554.db2.gz	FZMMATPNAFXJNI-NXEZZACHSA-N	0	0	190.286	3.180	10	0		AGAERN
COC(/C=C/c1ccccc1)=C/Cl	238340420	573293507	/nfs/dbraw/zinc/29/35/07/573293507.db2.gz	LAJIAPXZVSJSEJ-MFDVASPDSA-N	0	0	194.661	3.426	10	0		AGAERN
C[C@H]1Cc2cccc(F)c2NC1(C)C	257998363	573293613	/nfs/dbraw/zinc/29/36/13/573293613.db2.gz	BUDYBFZUJVOEMZ-QMMMGPOBSA-N	0	0	193.265	3.208	10	0		AGAERN
C[C@H](O)c1ccc2c(c1)[C@H](C)CCC2	257996607	573295447	/nfs/dbraw/zinc/29/54/47/573295447.db2.gz	FZMMATPNAFXJNI-ZJUUUORDSA-N	0	0	190.286	3.180	10	0		AGAERN
C[C@@H]1Cc2cccc(F)c2NC1(C)C	257998362	573295319	/nfs/dbraw/zinc/29/53/19/573295319.db2.gz	BUDYBFZUJVOEMZ-MRVPVSSYSA-N	0	0	193.265	3.208	10	0		AGAERN
CSC[C@@H]1CSc2ccccc21	86195596	573297283	/nfs/dbraw/zinc/29/72/83/573297283.db2.gz	XZJAPJPEYHXODJ-MRVPVSSYSA-N	0	0	196.340	3.239	10	0		AGAERN
CSC[C@H]1CSc2ccccc21	86195597	573297293	/nfs/dbraw/zinc/29/72/93/573297293.db2.gz	XZJAPJPEYHXODJ-QMMMGPOBSA-N	0	0	196.340	3.239	10	0		AGAERN
C[C@H]1C[C@]1(O)CCC1CCCCC1	86197936	573300667	/nfs/dbraw/zinc/30/06/67/573300667.db2.gz	HXULZFXCNJUJKR-CMPLNLGQSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1coc([C@H](O)CCC(C)C)c1	715761894	573301510	/nfs/dbraw/zinc/30/15/10/573301510.db2.gz	YKHYMGQZKDZEHJ-SNVBAGLBSA-N	0	0	182.263	3.058	10	0		AGAERN
C[C@@H]1C[C@]1(O)CCC1CCCCC1	86197934	573299621	/nfs/dbraw/zinc/29/96/21/573299621.db2.gz	HXULZFXCNJUJKR-ZYHUDNBSSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1ccsc1C1CCC(O)CC1	259408606	573299853	/nfs/dbraw/zinc/29/98/53/573299853.db2.gz	XKAKVVPPFIADHQ-UHFFFAOYSA-N	0	0	196.315	3.075	10	0		AGAERN
FCCn1ccc2cccc(Cl)c21	236125119	573299923	/nfs/dbraw/zinc/29/99/23/573299923.db2.gz	QZHGORVXFLWRBM-UHFFFAOYSA-N	0	0	197.640	3.264	10	0		AGAERN
CC[C@@H](C)Oc1cc(C)ccc1F	82940201	573300173	/nfs/dbraw/zinc/30/01/73/573300173.db2.gz	LSQINLHZXTVJIQ-SECBINFHSA-N	0	0	182.238	3.311	10	0		AGAERN
C[C@H](F)CCCCCCCCCO	238449167	573300282	/nfs/dbraw/zinc/30/02/82/573300282.db2.gz	QWCVUJIEPIVTTO-NSHDSACASA-N	0	0	190.302	3.458	10	0		AGAERN
CC(C)c1ccc([C@@]2(O)C[C@H]2C)cc1	86197739	573300293	/nfs/dbraw/zinc/30/02/93/573300293.db2.gz	AEWZQYJMZDJSIQ-ZWNOBZJWSA-N	0	0	190.286	3.037	10	0		AGAERN
Cc1coc([C@](C)(O)CC(C)(C)C)c1	715760530	573302104	/nfs/dbraw/zinc/30/21/04/573302104.db2.gz	UCUQATXFDVBPBJ-GFCCVEGCSA-N	0	0	196.290	3.232	10	0		AGAERN
Cc1[nH]c(=S)n([C@@H](C)C(C)C)c1C	716697985	573300407	/nfs/dbraw/zinc/30/04/07/573300407.db2.gz	NETOCWKZBIDQLS-QMMMGPOBSA-N	0	0	198.335	3.006	10	0		AGAERN
C[C@@H]1C[C@@]1(O)CCC1CCCCC1	86197937	573300433	/nfs/dbraw/zinc/30/04/33/573300433.db2.gz	HXULZFXCNJUJKR-PWSUYJOCSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1coc([C@@H](O)CCC(C)C)c1	715761890	573300511	/nfs/dbraw/zinc/30/05/11/573300511.db2.gz	YKHYMGQZKDZEHJ-JTQLQIEISA-N	0	0	182.263	3.058	10	0		AGAERN
Cc1cc(-c2ccc(C)c(C)c2)on1	259076107	573300996	/nfs/dbraw/zinc/30/09/96/573300996.db2.gz	CNOJKSOUKFNWOQ-UHFFFAOYSA-N	0	0	187.242	3.267	10	0		AGAERN
CCC/C(=C\CCO)c1ccccc1	219836474	573301060	/nfs/dbraw/zinc/30/10/60/573301060.db2.gz	UMLZTEXMTYKVQR-ZRDIBKRKSA-N	0	0	190.286	3.253	10	0		AGAERN
CC(C)c1ccc([C@]2(O)C[C@@H]2C)cc1	86197745	573301396	/nfs/dbraw/zinc/30/13/96/573301396.db2.gz	AEWZQYJMZDJSIQ-GWCFXTLKSA-N	0	0	190.286	3.037	10	0		AGAERN
CC(C)c1ccc([C@@]2(O)C[C@@H]2C)cc1	86197742	573301645	/nfs/dbraw/zinc/30/16/45/573301645.db2.gz	AEWZQYJMZDJSIQ-GXFFZTMASA-N	0	0	190.286	3.037	10	0		AGAERN
CCC[C@H](C)[C@H](O)[C@@H](C)C(C)C	233352454	573301735	/nfs/dbraw/zinc/30/17/35/573301735.db2.gz	NHBQGTOAGIXWJC-DCAQKATOSA-N	0	0	172.312	3.076	10	0		AGAERN
C[C@H]1C[C@@]1(O)CCC1CCCCC1	86197939	573301767	/nfs/dbraw/zinc/30/17/67/573301767.db2.gz	HXULZFXCNJUJKR-JQWIXIFHSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1coc([C@@](C)(O)CC(C)(C)C)c1	715760534	573301928	/nfs/dbraw/zinc/30/19/28/573301928.db2.gz	UCUQATXFDVBPBJ-LBPRGKRZSA-N	0	0	196.290	3.232	10	0		AGAERN
Cc1ncc(CC(C)(C)C)c(Cl)n1	258625480	573303705	/nfs/dbraw/zinc/30/37/05/573303705.db2.gz	VBGXQBOXWWDKJH-UHFFFAOYSA-N	0	0	198.697	3.027	10	0		AGAERN
CC[C@H](C)Oc1cc(C)ccc1F	82940203	573305006	/nfs/dbraw/zinc/30/50/06/573305006.db2.gz	LSQINLHZXTVJIQ-VIFPVBQESA-N	0	0	182.238	3.311	10	0		AGAERN
C[C@@H]1c2cc(F)ccc2NC1(C)C	258285251	573304168	/nfs/dbraw/zinc/30/41/68/573304168.db2.gz	UCBYFLWEZHXVFN-SSDOTTSWSA-N	0	0	179.238	3.133	10	0		AGAERN
C[C@H]1C[C@@]1(O)C1CCCCCCC1	86198614	573304391	/nfs/dbraw/zinc/30/43/91/573304391.db2.gz	VPYJRIJRQSHION-JQWIXIFHSA-N	0	0	182.307	3.118	10	0		AGAERN
C/C=C/COc1cc(C)ccc1F	82940232	573304433	/nfs/dbraw/zinc/30/44/33/573304433.db2.gz	YHEXGLVVFCAQGV-ONEGZZNKSA-N	0	0	180.222	3.089	10	0		AGAERN
Nc1cscc1C1CCCCC1	74301339	573304566	/nfs/dbraw/zinc/30/45/66/573304566.db2.gz	DICJDKOHWMGVOF-UHFFFAOYSA-N	0	0	181.304	3.378	10	0		AGAERN
C[C@@H]1CCC[C@@H](C[C@@H](O)CC2CC2)C1	308544275	573304786	/nfs/dbraw/zinc/30/47/86/573304786.db2.gz	VEACVSACSVXEAY-RTXFEEFZSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@H]1c2cc(F)ccc2NC1(C)C	258285254	573304854	/nfs/dbraw/zinc/30/48/54/573304854.db2.gz	UCBYFLWEZHXVFN-ZETCQYMHSA-N	0	0	179.238	3.133	10	0		AGAERN
C[C@H]1C[C@]1(O)C1CCCCCCC1	86198609	573304891	/nfs/dbraw/zinc/30/48/91/573304891.db2.gz	VPYJRIJRQSHION-CMPLNLGQSA-N	0	0	182.307	3.118	10	0		AGAERN
CCCC[C@@H](C)n1cccc1C=O	50890614	573305179	/nfs/dbraw/zinc/30/51/79/573305179.db2.gz	DEPVCCZHMMRHRK-SNVBAGLBSA-N	0	0	179.263	3.052	10	0		AGAERN
C[C@@H]1C[C@]1(O)C1CCCCCCC1	86198607	573305249	/nfs/dbraw/zinc/30/52/49/573305249.db2.gz	VPYJRIJRQSHION-ZYHUDNBSSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@H](O)/C=C/C=C1CCCCCC1	224871352	573305598	/nfs/dbraw/zinc/30/55/98/573305598.db2.gz	MJUBAMPRIBCYSZ-MLRMMBSGSA-N	0	0	180.291	3.204	10	0		AGAERN
C[C@H]1CCc2c1c1cccc3c1n2CC3	238455549	573306468	/nfs/dbraw/zinc/30/64/68/573306468.db2.gz	GPQCDNSEOOMSTL-VIFPVBQESA-N	0	0	197.281	3.247	10	0		AGAERN
C[C@@H](O)/C=C/C=C1CCCCCC1	224871431	573306903	/nfs/dbraw/zinc/30/69/03/573306903.db2.gz	MJUBAMPRIBCYSZ-XUIVZRPNSA-N	0	0	180.291	3.204	10	0		AGAERN
CC[C@H]1C[C@@]1(O)C1CCCCCC1	86200690	573307180	/nfs/dbraw/zinc/30/71/80/573307180.db2.gz	VSSAKQJMZGCUTQ-JQWIXIFHSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@@H]1C[C@@]1(O)C1CCCCCC1	86200688	573307273	/nfs/dbraw/zinc/30/72/73/573307273.db2.gz	VSSAKQJMZGCUTQ-PWSUYJOCSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@@H]1CCC[C@@H](C[C@H](O)CC2CC2)C1	308544274	573307652	/nfs/dbraw/zinc/30/76/52/573307652.db2.gz	VEACVSACSVXEAY-RAIGVLPGSA-N	0	0	196.334	3.364	10	0		AGAERN
CCc1cc(OC)cc2ccsc12	238340539	573307690	/nfs/dbraw/zinc/30/76/90/573307690.db2.gz	NZTSDQOTJCLYKR-UHFFFAOYSA-N	0	0	192.283	3.472	10	0		AGAERN
Cc1[nH]c2ccccc2c1-c1ccno1	259078716	573307696	/nfs/dbraw/zinc/30/76/96/573307696.db2.gz	CTXPJQTWFWQDQR-UHFFFAOYSA-N	0	0	198.225	3.131	10	0		AGAERN
CCc1cc(OC)cc2sccc12	238340691	573307757	/nfs/dbraw/zinc/30/77/57/573307757.db2.gz	YHJFUHDLUINZFQ-UHFFFAOYSA-N	0	0	192.283	3.472	10	0		AGAERN
CCCC[C@@]1(CC)[C@H](O)CC1(C)C	238796358	573307767	/nfs/dbraw/zinc/30/77/67/573307767.db2.gz	YUZZLJCTISSLKH-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H]1C[C@@]1(O)CC1CCCCC1	86200829	573307888	/nfs/dbraw/zinc/30/78/88/573307888.db2.gz	IXBMOLOOOLVOSZ-NEPJUHHUSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1cc(Cl)cc([C@H](C)CO)c1C	258254949	573309141	/nfs/dbraw/zinc/30/91/41/573309141.db2.gz	XXJAWIDWUXHKCU-MRVPVSSYSA-N	0	0	198.693	3.053	10	0		AGAERN
CC(C)c1c[nH]c(=S)n1CC1CC1	82944575	573308675	/nfs/dbraw/zinc/30/86/75/573308675.db2.gz	JYVLLFNOXPOUMW-UHFFFAOYSA-N	0	0	196.319	3.079	10	0		AGAERN
CC[C@@H]1C[C@]1(O)CC1CCCCC1	86200825	573308893	/nfs/dbraw/zinc/30/88/93/573308893.db2.gz	IXBMOLOOOLVOSZ-VXGBXAGGSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1ccc([C@@H](C)C[C@@H](C)O)cc1F	223996681	573308896	/nfs/dbraw/zinc/30/88/96/573308896.db2.gz	JZQPEIJZXVZBCI-VHSXEESVSA-N	0	0	196.265	3.009	10	0		AGAERN
CC(=O)C[C@H](C)c1ccc(C)c(F)c1	223982260	573308942	/nfs/dbraw/zinc/30/89/42/573308942.db2.gz	GJWUOUTYFYABAR-VIFPVBQESA-N	0	0	194.249	3.217	10	0		AGAERN
CC[C@@H]1C[C@]1(O)C1CCCCCC1	86200684	573308988	/nfs/dbraw/zinc/30/89/88/573308988.db2.gz	VSSAKQJMZGCUTQ-ZYHUDNBSSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1ccc([C@@H](C)C[C@H](C)O)cc1F	223996787	573309230	/nfs/dbraw/zinc/30/92/30/573309230.db2.gz	JZQPEIJZXVZBCI-UWVGGRQHSA-N	0	0	196.265	3.009	10	0		AGAERN
Cc1cc([C@@H](C)CO)cc(Cl)c1C	258255273	573309411	/nfs/dbraw/zinc/30/94/11/573309411.db2.gz	YBXKNWITGRGRNH-QMMMGPOBSA-N	0	0	198.693	3.053	10	0		AGAERN
CC[C@H]1C[C@]1(O)C1CCCCCC1	86200686	573309523	/nfs/dbraw/zinc/30/95/23/573309523.db2.gz	VSSAKQJMZGCUTQ-CMPLNLGQSA-N	0	0	182.307	3.118	10	0		AGAERN
CCc1c(N)ccc2ccc(F)cc12	257999668	573309583	/nfs/dbraw/zinc/30/95/83/573309583.db2.gz	DXROJGMVLNLPEG-UHFFFAOYSA-N	0	0	189.233	3.124	10	0		AGAERN
CCc1cc(Cl)c(C)cc1OC	259411673	573309591	/nfs/dbraw/zinc/30/95/91/573309591.db2.gz	ONBHYZGLTNHWTQ-UHFFFAOYSA-N	0	0	184.666	3.219	10	0		AGAERN
CC[C@H]1C[C@]1(O)CC1CCCCC1	86200827	573309703	/nfs/dbraw/zinc/30/97/03/573309703.db2.gz	IXBMOLOOOLVOSZ-NWDGAFQWSA-N	0	0	182.307	3.118	10	0		AGAERN
COc1c(C)c(C)cc(C)c1Cl	259415317	573310569	/nfs/dbraw/zinc/31/05/69/573310569.db2.gz	XWKUKSKEEYNTFT-UHFFFAOYSA-N	0	0	184.666	3.274	10	0		AGAERN
CC(C)c1c[nH]c(=S)n1C(C)(C)C	82944577	573310600	/nfs/dbraw/zinc/31/06/00/573310600.db2.gz	HGLJLYCPYDQQFI-UHFFFAOYSA-N	0	0	198.335	3.424	10	0		AGAERN
CC(C)c1c(O)ccc(O)c1C(C)C	117023015	573310920	/nfs/dbraw/zinc/31/09/20/573310920.db2.gz	XASSMIBAORTFLC-UHFFFAOYSA-N	0	0	194.274	3.345	10	0		AGAERN
CC(C)/C(=C\[C@@H]1CCC[C@H](C)C1)CO	86209419	573310997	/nfs/dbraw/zinc/31/09/97/573310997.db2.gz	ALBCDTSEVFACRO-WJOSTPCTSA-N	0	0	196.334	3.387	10	0		AGAERN
CCCn1c(C(C)C)c[nH]c1=S	82944630	573311038	/nfs/dbraw/zinc/31/10/38/573311038.db2.gz	APACITSDCRDVTJ-UHFFFAOYSA-N	0	0	184.308	3.079	10	0		AGAERN
Cc1cc2cc(F)cc(Cl)c2[nH]1	117016124	573311183	/nfs/dbraw/zinc/31/11/83/573311183.db2.gz	WAFHFBXWXUTYLI-UHFFFAOYSA-N	0	0	183.613	3.269	10	0		AGAERN
CCC[C@H]1C[C@]1(O)c1ccc(C)s1	86203474	573311231	/nfs/dbraw/zinc/31/12/31/573311231.db2.gz	AWRIBIRCOURNPJ-GXSJLCMTSA-N	0	0	196.315	3.064	10	0		AGAERN
CCc1cc(C)c(C)c(C(C)(C)O)c1	258001188	573311298	/nfs/dbraw/zinc/31/12/98/573311298.db2.gz	GJMPHVCUUAUCLS-UHFFFAOYSA-N	0	0	192.302	3.093	10	0		AGAERN
CC(C)/C(=C\C1CCCCC1)CO	86209470	573311315	/nfs/dbraw/zinc/31/13/15/573311315.db2.gz	NJYCAVPIJWFFOW-WQLSENKSSA-N	0	0	182.307	3.141	10	0		AGAERN
CC(C)/C(=C\[C@@H]1CCC[C@@H](C)C1)CO	86209418	573311451	/nfs/dbraw/zinc/31/14/51/573311451.db2.gz	ALBCDTSEVFACRO-IMQMQEMRSA-N	0	0	196.334	3.387	10	0		AGAERN
CCC[C@H]1C[C@]1(O)c1ccc(C)cc1	86203494	573311472	/nfs/dbraw/zinc/31/14/72/573311472.db2.gz	BYWPXOPSHOTMQG-STQMWFEESA-N	0	0	190.286	3.003	10	0		AGAERN
CC/C(=C\[C@@H]1CCC[C@@H](C)C1)CO	86209071	573311485	/nfs/dbraw/zinc/31/14/85/573311485.db2.gz	SETNHOMLNIXFNL-ZDMKUBQJSA-N	0	0	182.307	3.141	10	0		AGAERN
CCC[C@@H]1C[C@@]1(O)c1cccc(C)c1	86203565	573311705	/nfs/dbraw/zinc/31/17/05/573311705.db2.gz	IMNAXEPBBORQLM-CHWSQXEVSA-N	0	0	190.286	3.003	10	0		AGAERN
CCC[C@H]1C[C@@]1(O)c1ccc(C)cc1	86203498	573311511	/nfs/dbraw/zinc/31/15/11/573311511.db2.gz	BYWPXOPSHOTMQG-QWHCGFSZSA-N	0	0	190.286	3.003	10	0		AGAERN
CC(C)/C(=C\[C@H]1CCC[C@H](C)C1)CO	86209417	573312553	/nfs/dbraw/zinc/31/25/53/573312553.db2.gz	ALBCDTSEVFACRO-JTXXYJNRSA-N	0	0	196.334	3.387	10	0		AGAERN
CCC[C@@H]1C[C@@]1(O)c1ccccc1C	86202842	573314018	/nfs/dbraw/zinc/31/40/18/573314018.db2.gz	JJHPBIIBZDIZRB-YPMHNXCESA-N	0	0	190.286	3.003	10	0		AGAERN
CCC[C@H]1C[C@@]1(O)c1cccc(C)c1	86203567	573313971	/nfs/dbraw/zinc/31/39/71/573313971.db2.gz	IMNAXEPBBORQLM-QWHCGFSZSA-N	0	0	190.286	3.003	10	0		AGAERN
O=Cc1ccccc1[C@@H]1CCC1(F)F	258001175	573315261	/nfs/dbraw/zinc/31/52/61/573315261.db2.gz	GITQDWGXVXKRIP-JTQLQIEISA-N	0	0	196.196	3.012	10	0		AGAERN
C/C(=C/c1ccc(C(C)C)cc1)CO	86210205	573315621	/nfs/dbraw/zinc/31/56/21/573315621.db2.gz	JVMSBNMBQIPYLG-FLIBITNWSA-N	0	0	190.286	3.206	10	0		AGAERN
CCC(CC)C[C@@](O)(CC)C1CC1	129369762	573315662	/nfs/dbraw/zinc/31/56/62/573315662.db2.gz	KUNJQSMYHNQRHR-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(CC)C[C@@]1(O)CC[C@@H](C)C1	129358448	573316566	/nfs/dbraw/zinc/31/65/66/573316566.db2.gz	PATONWAVNYSANK-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@H](O)/C=C1\CCCCC12CCCC2	308551058	573316783	/nfs/dbraw/zinc/31/67/83/573316783.db2.gz	XLZAWCXAESWTMT-KPMWUXBGSA-N	0	0	194.318	3.428	10	0		AGAERN
CCC1(CC[C@@H](O)C2CC2)CCC1	308344047	573317099	/nfs/dbraw/zinc/31/70/99/573317099.db2.gz	SYCUZLFDIHSIKY-LLVKDONJSA-N	0	0	182.307	3.118	10	0		AGAERN
CCC1(CC(=O)C(F)(F)F)CCC1	308344055	573317210	/nfs/dbraw/zinc/31/72/10/573317210.db2.gz	SYFWOGTXBMTNBQ-UHFFFAOYSA-N	0	0	194.196	3.088	10	0		AGAERN
CCC1(CC[C@H](O)C2CC2)CCC1	308344049	573317534	/nfs/dbraw/zinc/31/75/34/573317534.db2.gz	SYCUZLFDIHSIKY-NSHDSACASA-N	0	0	182.307	3.118	10	0		AGAERN
CCC(CC)C[C@@]1(O)CCC[C@@H]1C	129372276	573318307	/nfs/dbraw/zinc/31/83/07/573318307.db2.gz	JTPPGEQKJYWLPU-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
C/C(=C\c1c(C)cc(C)cc1C)CO	86210234	573318456	/nfs/dbraw/zinc/31/84/56/573318456.db2.gz	GYASOXDHDGAAPZ-JXMROGBWSA-N	0	0	190.286	3.007	10	0		AGAERN
CCC1([C@H](O)CC2(C)CCC2)CC1	308346799	573318461	/nfs/dbraw/zinc/31/84/61/573318461.db2.gz	VYCHDDAIJAPYTO-SNVBAGLBSA-N	0	0	182.307	3.118	10	0		AGAERN
CCC(CC)C[C@]1(O)CCC[C@@H]1C	129372018	573318480	/nfs/dbraw/zinc/31/84/80/573318480.db2.gz	JTPPGEQKJYWLPU-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CCc1ccc(/C(C)=C\[C@@H](C)O)cc1	308347830	573319017	/nfs/dbraw/zinc/31/90/17/573319017.db2.gz	ZYXSFJKNNNWVMS-DWOQACPDSA-N	0	0	190.286	3.033	10	0		AGAERN
CCC1([C@@H](O)CC2(C)CCC2)CC1	308346798	573319148	/nfs/dbraw/zinc/31/91/48/573319148.db2.gz	VYCHDDAIJAPYTO-JTQLQIEISA-N	0	0	182.307	3.118	10	0		AGAERN
COc1ccc(CCC(C)(C)C)nc1	308551093	573319461	/nfs/dbraw/zinc/31/94/61/573319461.db2.gz	XOCMYXJNVWEGFG-UHFFFAOYSA-N	0	0	193.290	3.069	10	0		AGAERN
CCC(CC)c1nc2ncccc2o1	74327475	573319731	/nfs/dbraw/zinc/31/97/31/573319731.db2.gz	SYKIEWIYDCYOSE-UHFFFAOYSA-N	0	0	190.246	3.126	10	0		AGAERN
CCC(CC)C[C@]1(O)CC[C@@H](C)C1	129358232	573319838	/nfs/dbraw/zinc/31/98/38/573319838.db2.gz	PATONWAVNYSANK-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC/C(=C(/C)C(=O)OCC)C1CC1	308552190	573319945	/nfs/dbraw/zinc/31/99/45/573319945.db2.gz	QOSIXPDQGBMHPA-PKNBQFBNSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC(CC)C[C@](O)(CC)C1CC1	129370044	573320045	/nfs/dbraw/zinc/32/00/45/573320045.db2.gz	KUNJQSMYHNQRHR-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
Fc1cccc2c1NC[C@H]2C1CCC1	236155729	573320225	/nfs/dbraw/zinc/32/02/25/573320225.db2.gz	NKOVXTCMEKKDIB-JTQLQIEISA-N	0	0	191.249	3.135	10	0		AGAERN
CCc1ccc(/C(C)=C\[C@H](C)O)cc1	308347832	573320614	/nfs/dbraw/zinc/32/06/14/573320614.db2.gz	ZYXSFJKNNNWVMS-JUDLJHIGSA-N	0	0	190.286	3.033	10	0		AGAERN
Cc1cccc(OCOC(C)C)c1C	308553064	573321235	/nfs/dbraw/zinc/32/12/35/573321235.db2.gz	SXPBETWTPISLRN-UHFFFAOYSA-N	0	0	194.274	3.065	10	0		AGAERN
CO[C@H]1CC(C)=CC[C@H]1C(C)C	238341918	573321291	/nfs/dbraw/zinc/32/12/91/573321291.db2.gz	KQFDNCQZXUTSPC-QWRGUYRKSA-N	0	0	168.280	3.014	10	0		AGAERN
CNc1ccccc1CC=C(C)C	238341553	573321435	/nfs/dbraw/zinc/32/14/35/573321435.db2.gz	ZFZBKHQTQGQLPO-UHFFFAOYSA-N	0	0	175.275	3.237	10	0		AGAERN
Cc1cccc2c1[C@H](C)C(C)(C)N2	258004493	573321757	/nfs/dbraw/zinc/32/17/57/573321757.db2.gz	CIKUXNQBHYJHTH-VIFPVBQESA-N	0	0	175.275	3.303	10	0		AGAERN
CCOC(=O)/C(C)=C/[C@H](C)C(C)(C)C	308553635	573323319	/nfs/dbraw/zinc/32/33/19/573323319.db2.gz	RDVJMYJCONBZNW-DDXVTDLHSA-N	0	0	198.306	3.178	10	0		AGAERN
CCC[C@H](O)[C@@H](C)c1cccc(F)c1	212572990	573327537	/nfs/dbraw/zinc/32/75/37/573327537.db2.gz	JRVWBADYHDWZIK-CABZTGNLSA-N	0	0	196.265	3.090	10	0		AGAERN
CC(=O)C1(C)CCC(C)(C)CC1	117269193	573327118	/nfs/dbraw/zinc/32/71/18/573327118.db2.gz	JKWVITWVCAVQGU-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CN1CCCCc2cccc(Cl)c21	238343680	573327158	/nfs/dbraw/zinc/32/71/58/573327158.db2.gz	NXWOHEQRXBCYCM-UHFFFAOYSA-N	0	0	195.693	3.113	10	0		AGAERN
CSc1c(O)ccc2ccccc12	197310328	573327177	/nfs/dbraw/zinc/32/71/77/573327177.db2.gz	AFTFKTCSEGUGAV-UHFFFAOYSA-N	0	0	190.267	3.267	10	0		AGAERN
CC[C@H](C)C(=O)c1ccccc1C	78040207	573327262	/nfs/dbraw/zinc/32/72/62/573327262.db2.gz	OBWJYTWOALXMJF-VIFPVBQESA-N	0	0	176.259	3.224	10	0		AGAERN
CCc1cc(CC)n(CCC(C)C)n1	132632761	573327447	/nfs/dbraw/zinc/32/74/47/573327447.db2.gz	VKJWUIWSUMNWNI-UHFFFAOYSA-N	0	0	194.322	3.054	10	0		AGAERN
CCc1cc(SC)ccc1C	238343183	573327519	/nfs/dbraw/zinc/32/75/19/573327519.db2.gz	PELDCZBHPQZWOA-UHFFFAOYSA-N	0	0	166.289	3.279	10	0		AGAERN
CC(C)C[C@@H]1C[C@@H]1c1ccccc1N	117147562	573327621	/nfs/dbraw/zinc/32/76/21/573327621.db2.gz	RBGSAOZZFRDGSY-PWSUYJOCSA-N	0	0	189.302	3.418	10	0		AGAERN
Cc1ccc2ccsc2c1F	143594324	573330123	/nfs/dbraw/zinc/33/01/23/573330123.db2.gz	SJACBLYCACRVRY-UHFFFAOYSA-N	0	0	166.220	3.349	10	0		AGAERN
Cc1c(-c2ccc(C(C)C)cc2)c1=O	258630726	573330512	/nfs/dbraw/zinc/33/05/12/573330512.db2.gz	CEYQZDRJVFYFIH-UHFFFAOYSA-N	0	0	186.254	3.021	10	0		AGAERN
CC[C@@H](C)C(=O)c1ccccc1C	78040205	573330538	/nfs/dbraw/zinc/33/05/38/573330538.db2.gz	OBWJYTWOALXMJF-SECBINFHSA-N	0	0	176.259	3.224	10	0		AGAERN
C[C@@H](O)C1CC(C)(C)CC(C)(C)C1	117274770	573332889	/nfs/dbraw/zinc/33/28/89/573332889.db2.gz	ULVRGQHJRJUALB-SECBINFHSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@@H](C)c1ccc(F)cc1F	143517953	573333040	/nfs/dbraw/zinc/33/30/40/573333040.db2.gz	PFQSVTOGCHXMOA-SSDOTTSWSA-N	0	0	170.202	3.478	10	0		AGAERN
C[C@H](CO)CC[C@@H]1CCC[C@@H](C)C1	308349919	573335420	/nfs/dbraw/zinc/33/54/20/573335420.db2.gz	XSGMQQLRCYMGQF-WOPDTQHZSA-N	0	0	184.323	3.221	10	0		AGAERN
CNc1cccc(CCC(C)C)c1	259086334	573335689	/nfs/dbraw/zinc/33/56/89/573335689.db2.gz	IQCPNZUVMPXCCQ-UHFFFAOYSA-N	0	0	177.291	3.317	10	0		AGAERN
CC(C)(C)[C@@](C)(F)c1cccc(N)c1	258006894	573335835	/nfs/dbraw/zinc/33/58/35/573335835.db2.gz	GXBGJGQRFRCDRJ-LBPRGKRZSA-N	0	0	195.281	3.500	10	0		AGAERN
CC(C)c1cn2cccc(Cl)c2n1	117437955	573336483	/nfs/dbraw/zinc/33/64/83/573336483.db2.gz	AKGKESRPLLJKGJ-UHFFFAOYSA-N	0	0	194.665	3.111	10	0		AGAERN
C[C@H]1CC(C)(C)C[C@@]1(O)C1CCCC1	235562397	573338645	/nfs/dbraw/zinc/33/86/45/573338645.db2.gz	FJEQPKQEEVLUKG-GWCFXTLKSA-N	0	0	196.334	3.364	10	0		AGAERN
C=C/C=C\CCc1ccccc1C=O	308353147	573339653	/nfs/dbraw/zinc/33/96/53/573339653.db2.gz	NRLQJAQFIADZCX-ARJAWSKDSA-N	0	0	186.254	3.174	10	0		AGAERN
CCCOC(=O)[C@H](C)CC(C)(C)C	231513638	573339798	/nfs/dbraw/zinc/33/97/98/573339798.db2.gz	JIICXMFZRPDXNT-SECBINFHSA-N	0	0	186.295	3.012	10	0		AGAERN
Oc1cccc([C@@H](C(F)F)C2CC2)c1	258005063	573341400	/nfs/dbraw/zinc/34/14/00/573341400.db2.gz	GTQZPZCKWBNGCI-JTQLQIEISA-N	0	0	198.212	3.151	10	0		AGAERN
C[C@H]1CC(C)(C)C[C@@]1(O)CCC1CC1	235562763	573340076	/nfs/dbraw/zinc/34/00/76/573340076.db2.gz	REEXRVIQWQBKPN-GWCFXTLKSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC[C@@H](C)[C@@H](O)c1[nH]cc(C)c1C	308555093	573340083	/nfs/dbraw/zinc/34/00/83/573340083.db2.gz	RSAIDOJSJXGAGI-PRHODGIISA-N	0	0	195.306	3.101	10	0		AGAERN
CCC[C@H](C)[C@H](O)c1[nH]cc(C)c1C	308555097	573340205	/nfs/dbraw/zinc/34/02/05/573340205.db2.gz	RSAIDOJSJXGAGI-UFBFGSQYSA-N	0	0	195.306	3.101	10	0		AGAERN
CCC(CC)C(=O)c1ccncc1C	132787182	573340328	/nfs/dbraw/zinc/34/03/28/573340328.db2.gz	YIAAPUMOHSBSCH-UHFFFAOYSA-N	0	0	191.274	3.009	10	0		AGAERN
CCSCCC[C@H](CC)C(C)=O	129589762	573340375	/nfs/dbraw/zinc/34/03/75/573340375.db2.gz	ZJEZLKYEIARFCF-JTQLQIEISA-N	0	0	188.336	3.135	10	0		AGAERN
CCSCCCC(=O)C(C)(C)C	129585949	573340791	/nfs/dbraw/zinc/34/07/91/573340791.db2.gz	YTNYJOQTYMVLAH-UHFFFAOYSA-N	0	0	188.336	3.135	10	0		AGAERN
CCC[C@@H](C)[C@H](O)c1[nH]cc(C)c1C	308555091	573340814	/nfs/dbraw/zinc/34/08/14/573340814.db2.gz	RSAIDOJSJXGAGI-PELKAZGASA-N	0	0	195.306	3.101	10	0		AGAERN
COc1ccc(C2CC2)c2cc[nH]c12	238357146	573340819	/nfs/dbraw/zinc/34/08/19/573340819.db2.gz	NZJNVKWSFVBDNR-UHFFFAOYSA-N	0	0	187.242	3.054	10	0		AGAERN
CCSCCCCC(=O)C(C)C	129587310	573340875	/nfs/dbraw/zinc/34/08/75/573340875.db2.gz	WBNKRXVPJHWSOG-UHFFFAOYSA-N	0	0	188.336	3.135	10	0		AGAERN
CC(C)Cc1sc(N)c2c1CCC2	107081630	573341038	/nfs/dbraw/zinc/34/10/38/573341038.db2.gz	FGFLOZJZOIPJBX-UHFFFAOYSA-N	0	0	195.331	3.018	10	0		AGAERN
COc1c(C)cc(C(C)(C)C)cc1O	238356782	573341296	/nfs/dbraw/zinc/34/12/96/573341296.db2.gz	BRHNXWPKIDUMGT-UHFFFAOYSA-N	0	0	194.274	3.007	10	0		AGAERN
CCc1ccc(C)cc1SC	238356956	573341321	/nfs/dbraw/zinc/34/13/21/573341321.db2.gz	HPVNUOLENWCEQR-UHFFFAOYSA-N	0	0	166.289	3.279	10	0		AGAERN
CCc1ccc(C)c2cnsc12	238356329	573341337	/nfs/dbraw/zinc/34/13/37/573341337.db2.gz	SLGLJPILDJOWEI-UHFFFAOYSA-N	0	0	177.272	3.167	10	0		AGAERN
CC[C@@H](C)CC(=O)c1ccncc1C	132799365	573343077	/nfs/dbraw/zinc/34/30/77/573343077.db2.gz	JCOCJHUBZVRELH-SECBINFHSA-N	0	0	191.274	3.009	10	0		AGAERN
CC(C)=C[C@]1(O)CC(C)(C)C[C@@H]1C	235562508	573343151	/nfs/dbraw/zinc/34/31/51/573343151.db2.gz	CADHCMDILZDJMA-JQWIXIFHSA-N	0	0	182.307	3.140	10	0		AGAERN
Cc1ccc(-c2cnsc2)cc1	78094853	573344127	/nfs/dbraw/zinc/34/41/27/573344127.db2.gz	TVVCBRUXWKWEPY-UHFFFAOYSA-N	0	0	175.256	3.119	10	0		AGAERN
Cc1csc(N)c1-c1ccccc1	107089539	573344129	/nfs/dbraw/zinc/34/41/29/573344129.db2.gz	VRMWWCOYHPIBDV-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
CCc1sc(N)cc1CC(C)C	107093523	573344006	/nfs/dbraw/zinc/34/40/06/573344006.db2.gz	OEFBLKJUEWYZOI-UHFFFAOYSA-N	0	0	183.320	3.091	10	0		AGAERN
CCC[C@H](O)C1CCCCCC1	78096238	573345200	/nfs/dbraw/zinc/34/52/00/573345200.db2.gz	MCMXHOODSAQQDX-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
O=Cc1csc2cccc(Cl)c12	82320907	573345237	/nfs/dbraw/zinc/34/52/37/573345237.db2.gz	YZKWGWMOPREKDW-UHFFFAOYSA-N	0	0	196.658	3.367	10	0		AGAERN
CCCCCC(=O)c1[nH]cc(C)c1C	308556820	573345417	/nfs/dbraw/zinc/34/54/17/573345417.db2.gz	SWQWKRLLHXSDEY-UHFFFAOYSA-N	0	0	193.290	3.395	10	0		AGAERN
CC1(c2cccc3ccccc23)COC1	259089608	573345454	/nfs/dbraw/zinc/34/54/54/573345454.db2.gz	MQJUGKJLWDFMNG-UHFFFAOYSA-N	0	0	198.265	3.128	10	0		AGAERN
CCC[C@H](CC)Nc1cccnc1	132824122	573345625	/nfs/dbraw/zinc/34/56/25/573345625.db2.gz	WKPDVHIYJWCRIJ-JTQLQIEISA-N	0	0	178.279	3.072	10	0		AGAERN
COc1c(C)ccc2[nH]c(C)c(C)c12	238363359	573346672	/nfs/dbraw/zinc/34/66/72/573346672.db2.gz	YKNDUDDVXSFHKZ-UHFFFAOYSA-N	0	0	189.258	3.102	10	0		AGAERN
CCCc1nc(-c2ccccc2)c[nH]1	117522696	573349070	/nfs/dbraw/zinc/34/90/70/573349070.db2.gz	ZJGMNFATFLBRPA-UHFFFAOYSA-N	0	0	186.258	3.029	10	0		AGAERN
COc1ccc(C)c2cc(Cl)[nH]c12	238365740	573348903	/nfs/dbraw/zinc/34/89/03/573348903.db2.gz	MKRZXSLRJOIEHD-UHFFFAOYSA-N	0	0	195.649	3.138	10	0		AGAERN
COc1cc(F)c2sccc2c1	238364869	573349195	/nfs/dbraw/zinc/34/91/95/573349195.db2.gz	IRTSFUHYGBRCOV-UHFFFAOYSA-N	0	0	182.219	3.049	10	0		AGAERN
CC[C@H](SC)c1cccc(N)c1	117577506	573351091	/nfs/dbraw/zinc/35/10/91/573351091.db2.gz	OYEOOEGYRIPMAH-JTQLQIEISA-N	0	0	181.304	3.083	10	0		AGAERN
COc1ccc(C)c2[nH]c(Cl)cc12	238364705	573350463	/nfs/dbraw/zinc/35/04/63/573350463.db2.gz	BKVPFSRBCDGMGL-UHFFFAOYSA-N	0	0	195.649	3.138	10	0		AGAERN
CC(C)=C[C@H](C)c1ccccc1O	238368208	573353169	/nfs/dbraw/zinc/35/31/69/573353169.db2.gz	QIWPVHLWEKPGNC-JTQLQIEISA-N	0	0	176.259	3.462	10	0		AGAERN
C[C@@H](C=C(F)F)[C@H](O)c1ccccc1	238368291	573353172	/nfs/dbraw/zinc/35/31/72/573353172.db2.gz	VBKKFBZMDFMBIA-KWQFWETISA-N	0	0	198.212	3.137	10	0		AGAERN
O=C(C(F)F)C1CCCCCCC1	39055069	573352441	/nfs/dbraw/zinc/35/24/41/573352441.db2.gz	SPCPNHXVDGFHOC-UHFFFAOYSA-N	0	0	190.233	3.181	10	0		AGAERN
C[C@H]1CCC[C@]1(O)C1=CCCCC1	235570850	573352576	/nfs/dbraw/zinc/35/25/76/573352576.db2.gz	JJRPIUUTASUYLE-CMPLNLGQSA-N	0	0	180.291	3.038	10	0		AGAERN
CCC[C@@H](F)C(=O)C1CCCCC1	39055060	573352665	/nfs/dbraw/zinc/35/26/65/573352665.db2.gz	XEYJKUKBVNRCKX-SNVBAGLBSA-N	0	0	186.270	3.274	10	0		AGAERN
Cc1cc(Cl)c(C)c([C@@H](C)CO)c1	258005909	573353189	/nfs/dbraw/zinc/35/31/89/573353189.db2.gz	CILGBPFVERZPSH-QMMMGPOBSA-N	0	0	198.693	3.053	10	0		AGAERN
Cc1ccccc1[C@H]1CCC(=O)[C@H]1C	83001902	573353755	/nfs/dbraw/zinc/35/37/55/573353755.db2.gz	JFRURHHTKVHMBJ-JQWIXIFHSA-N	0	0	188.270	3.078	10	0		AGAERN
C[C@@H]1CCC[C@H](C(=O)CC2CC2)C1	82999694	573354252	/nfs/dbraw/zinc/35/42/52/573354252.db2.gz	PHZVSQOAWKFXGX-KOLCDFICSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1cccc([C@H]2CCC(=O)[C@H]2C)c1	83002295	573354612	/nfs/dbraw/zinc/35/46/12/573354612.db2.gz	VBWWFFFAKLTNGF-JQWIXIFHSA-N	0	0	188.270	3.078	10	0		AGAERN
CC(C)CC[C@@H]1CCC(=O)[C@H]1C	83001636	573354643	/nfs/dbraw/zinc/35/46/43/573354643.db2.gz	QRIMWXFHSMYNKX-VHSXEESVSA-N	0	0	168.280	3.038	10	0		AGAERN
C/C=C\Cc1cccc(CCC)c1O	308362179	573354685	/nfs/dbraw/zinc/35/46/85/573354685.db2.gz	CCKSIFDRLLCLCO-HYXAFXHYSA-N	0	0	190.286	3.463	10	0		AGAERN
Clc1ccc(C2CCCC2)cn1	117650014	573354726	/nfs/dbraw/zinc/35/47/26/573354726.db2.gz	NLTORDVJUIEXLH-UHFFFAOYSA-N	0	0	181.666	3.393	10	0		AGAERN
Cc1ccc(O)c(C(C)C)c1C	117670430	573354886	/nfs/dbraw/zinc/35/48/86/573354886.db2.gz	VUHOIUXCVHPCEM-UHFFFAOYSA-N	0	0	164.248	3.132	10	0		AGAERN
CSC1=Nc2ccccc2OC1C	238367939	573354908	/nfs/dbraw/zinc/35/49/08/573354908.db2.gz	WIGPLRLWZPZKBG-UHFFFAOYSA-N	0	0	193.271	3.043	10	0		AGAERN
O=C(CC1CC1)c1ccccc1Cl	82999702	573354937	/nfs/dbraw/zinc/35/49/37/573354937.db2.gz	AJHULPNCKPJTNT-UHFFFAOYSA-N	0	0	194.661	3.323	10	0		AGAERN
C[C@@H]1C(=O)CC[C@H]1CC1CCCC1	83001964	573354982	/nfs/dbraw/zinc/35/49/82/573354982.db2.gz	GFERDMIAFZTPGN-ONGXEEELSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1ccccc1[C@H]1CCC(=O)[C@@H]1C	83001900	573355130	/nfs/dbraw/zinc/35/51/30/573355130.db2.gz	JFRURHHTKVHMBJ-PWSUYJOCSA-N	0	0	188.270	3.078	10	0		AGAERN
CC(C)CC[C@H]1CCC(=O)[C@H]1C	83001638	573355136	/nfs/dbraw/zinc/35/51/36/573355136.db2.gz	QRIMWXFHSMYNKX-UWVGGRQHSA-N	0	0	168.280	3.038	10	0		AGAERN
CC1CCC([C@@H]2CCC(=O)[C@@H]2C)CC1	83002477	573355145	/nfs/dbraw/zinc/35/51/45/573355145.db2.gz	KGGRVMYNLVQREK-RUJICJSRSA-N	0	0	194.318	3.428	10	0		AGAERN
Cc1ccc([C@H]2CCC(=O)[C@H]2C)cc1	83002317	573355160	/nfs/dbraw/zinc/35/51/60/573355160.db2.gz	AVGYZMXDPQJTCJ-JQWIXIFHSA-N	0	0	188.270	3.078	10	0		AGAERN
CSCCc1c[nH]c2ccccc12	238368036	573355196	/nfs/dbraw/zinc/35/51/96/573355196.db2.gz	GNWXUECIACHYMZ-UHFFFAOYSA-N	0	0	191.299	3.073	10	0		AGAERN
C[C@H]1CCC[C@@H](C(=O)CC2CC2)C1	82999699	573355298	/nfs/dbraw/zinc/35/52/98/573355298.db2.gz	PHZVSQOAWKFXGX-GXSJLCMTSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@H]1CCC[C@]1(O)C1=CCCCCC1	235570862	573355327	/nfs/dbraw/zinc/35/53/27/573355327.db2.gz	OLXZYKJDJPPYGR-WCQYABFASA-N	0	0	194.318	3.428	10	0		AGAERN
Cc1cc(C(=O)CC2CC2)ccc1F	82999667	573355356	/nfs/dbraw/zinc/35/53/56/573355356.db2.gz	IVTGHHYRVVYBGT-UHFFFAOYSA-N	0	0	192.233	3.117	10	0		AGAERN
Cc1ccccc1[C@@H]1CCC(=O)[C@H]1C	83001901	573355448	/nfs/dbraw/zinc/35/54/48/573355448.db2.gz	JFRURHHTKVHMBJ-CMPLNLGQSA-N	0	0	188.270	3.078	10	0		AGAERN
Cc1coc([C@H](O)[C@H]2CCC[C@@H]2C)c1	715781353	573355523	/nfs/dbraw/zinc/35/55/23/573355523.db2.gz	SDLXBRVCTJGGHH-JBLDHEPKSA-N	0	0	194.274	3.058	10	0		AGAERN
CC1CCC([C@H]2CCC(=O)[C@H]2C)CC1	83002481	573355534	/nfs/dbraw/zinc/35/55/34/573355534.db2.gz	KGGRVMYNLVQREK-ADPBJBESSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@H]1C(=O)CC[C@H]1CC1CCCC1	83001961	573355540	/nfs/dbraw/zinc/35/55/40/573355540.db2.gz	GFERDMIAFZTPGN-KOLCDFICSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1ccc([C@@H]2CCC(=O)[C@H]2C)cc1	83002315	573355585	/nfs/dbraw/zinc/35/55/85/573355585.db2.gz	AVGYZMXDPQJTCJ-CMPLNLGQSA-N	0	0	188.270	3.078	10	0		AGAERN
C[C@@H]1CCC[C@@H](C(=O)CC2CC2)C1	82999697	573355658	/nfs/dbraw/zinc/35/56/58/573355658.db2.gz	PHZVSQOAWKFXGX-MWLCHTKSSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1ccc(C(=O)CC2CC2)cc1F	82999658	573355681	/nfs/dbraw/zinc/35/56/81/573355681.db2.gz	VYWUMKDOVBOZFU-UHFFFAOYSA-N	0	0	192.233	3.117	10	0		AGAERN
Cc1ccc([C@@H]2CCC(=O)[C@@H]2C)cc1	83002312	573355705	/nfs/dbraw/zinc/35/57/05/573355705.db2.gz	AVGYZMXDPQJTCJ-ZYHUDNBSSA-N	0	0	188.270	3.078	10	0		AGAERN
CC1CCC(C(=O)CC2CC2)CC1	82999700	573355729	/nfs/dbraw/zinc/35/57/29/573355729.db2.gz	RZGROEZLVALNJA-UHFFFAOYSA-N	0	0	180.291	3.182	10	0		AGAERN
C/C=C\C[C@@H](OC)c1ccccc1O	308364086	573356917	/nfs/dbraw/zinc/35/69/17/573356917.db2.gz	FTHNDYBKAYVNGL-VSQXVHSFSA-N	0	0	192.258	3.046	10	0		AGAERN
COc1ccccc1[C@@H]1CCCS1	238368454	573358072	/nfs/dbraw/zinc/35/80/72/573358072.db2.gz	CBFQKNDGASHFRT-NSHDSACASA-N	0	0	194.299	3.263	10	0		AGAERN
CSc1cc(O)c2ccccc2c1	238368904	573358688	/nfs/dbraw/zinc/35/86/88/573358688.db2.gz	DITJVKZBNYYGOX-UHFFFAOYSA-N	0	0	190.267	3.267	10	0		AGAERN
CSc1cc(N)c2ccccc2c1	238368731	573358160	/nfs/dbraw/zinc/35/81/60/573358160.db2.gz	CNCQPCMTAZDSON-UHFFFAOYSA-N	0	0	189.283	3.144	10	0		AGAERN
CC/C(=C/CO)c1cccc(Cl)c1	258010564	573358704	/nfs/dbraw/zinc/35/87/04/573358704.db2.gz	HBSYNCFFMBRNQY-TWGQIWQCSA-N	0	0	196.677	3.126	10	0		AGAERN
Cc1coc([C@H](O)[C@@H]2CCC[C@@H]2C)c1	715781352	573358194	/nfs/dbraw/zinc/35/81/94/573358194.db2.gz	SDLXBRVCTJGGHH-HOSYDEDBSA-N	0	0	194.274	3.058	10	0		AGAERN
C[C@H]1CC[C@](O)(C2CC3(CCC3)C2)C1	717623488	573358211	/nfs/dbraw/zinc/35/82/11/573358211.db2.gz	AABWHKSNICKGJJ-GXFFZTMASA-N	0	0	194.318	3.118	10	0		AGAERN
C[C@H]1CC[C@@](O)(C2CC3(CCC3)C2)C1	717623486	573358405	/nfs/dbraw/zinc/35/84/05/573358405.db2.gz	AABWHKSNICKGJJ-GWCFXTLKSA-N	0	0	194.318	3.118	10	0		AGAERN
CCCCOc1cccc(Cl)c1N	132964339	573358654	/nfs/dbraw/zinc/35/86/54/573358654.db2.gz	HUGCNPVSXRODOA-UHFFFAOYSA-N	0	0	199.681	3.101	10	0		AGAERN
Cc1ccc2c(c1)NC(C)(C)[C@@H]2C	258300931	573360715	/nfs/dbraw/zinc/36/07/15/573360715.db2.gz	VDXYZNPYXYRUOG-SECBINFHSA-N	0	0	175.275	3.303	10	0		AGAERN
CCCCc1nc(C)c(C)c(Cl)n1	86314945	573360765	/nfs/dbraw/zinc/36/07/65/573360765.db2.gz	BZKOLDCXPCUXGR-UHFFFAOYSA-N	0	0	198.697	3.089	10	0		AGAERN
CCCC(CCC)[C@@]1(O)C[C@H]1CC	133013687	573360716	/nfs/dbraw/zinc/36/07/16/573360716.db2.gz	VLFSHIJVNGIYTJ-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@H]1CC[C@](O)(C2CC3(CCC3)C2)C1	717623491	573359813	/nfs/dbraw/zinc/35/98/13/573359813.db2.gz	AABWHKSNICKGJJ-ZWNOBZJWSA-N	0	0	194.318	3.118	10	0		AGAERN
Cc1cccc2c1NC(C)(C)[C@@H]2C	258298383	573360157	/nfs/dbraw/zinc/36/01/57/573360157.db2.gz	VADYZHDAIARMQB-SECBINFHSA-N	0	0	175.275	3.303	10	0		AGAERN
CCCC(CCC)[C@@H](O)c1cc[nH]c1	132979685	573360236	/nfs/dbraw/zinc/36/02/36/573360236.db2.gz	YIRCOAJIFOLWNH-GFCCVEGCSA-N	0	0	195.306	3.265	10	0		AGAERN
CCCC(CCC)[C@]1(O)C[C@H]1CC	133013548	573360405	/nfs/dbraw/zinc/36/04/05/573360405.db2.gz	VLFSHIJVNGIYTJ-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC1(O)CCCCCCC1	117715514	573360791	/nfs/dbraw/zinc/36/07/91/573360791.db2.gz	RIHHVDGOEWOQHD-UHFFFAOYSA-N	0	0	170.296	3.262	10	0		AGAERN
Cc1ccccc1Oc1cnsc1	258318516	573362933	/nfs/dbraw/zinc/36/29/33/573362933.db2.gz	DEMGNXZKJBUKNM-UHFFFAOYSA-N	0	0	191.255	3.244	10	0		AGAERN
CCC[C@@](C)(O)C1=CCCCC1	117712239	573362473	/nfs/dbraw/zinc/36/24/73/573362473.db2.gz	JAAKVCXEZBZXTL-LLVKDONJSA-N	0	0	168.280	3.038	10	0		AGAERN
FC(F)CCCNc1ccsc1	688729771	573362824	/nfs/dbraw/zinc/36/28/24/573362824.db2.gz	SWAKUELQGVIYAR-UHFFFAOYSA-N	0	0	191.246	3.205	10	0		AGAERN
C/C=C\[C@@H]1c2c(O)cccc2C[C@H]1C	308367970	573362834	/nfs/dbraw/zinc/36/28/34/573362834.db2.gz	MHTYUEZCINCZNO-PMEPJVLUSA-N	0	0	188.270	3.244	10	0		AGAERN
CCCC(=O)[C@@H](C)c1ccccc1F	211948477	573365115	/nfs/dbraw/zinc/36/51/15/573365115.db2.gz	TVIAVSPNMYIDEW-VIFPVBQESA-N	0	0	194.249	3.298	10	0		AGAERN
CCCC(CCC)[C@@H](O)c1ccc[nH]1	132979224	573364674	/nfs/dbraw/zinc/36/46/74/573364674.db2.gz	YYGOUYYUJMEWEC-GFCCVEGCSA-N	0	0	195.306	3.265	10	0		AGAERN
CCCC(CCC)[C@H](O)c1cc[nH]c1	132979470	573364744	/nfs/dbraw/zinc/36/47/44/573364744.db2.gz	YIRCOAJIFOLWNH-LBPRGKRZSA-N	0	0	195.306	3.265	10	0		AGAERN
CC(C)[C@H](CF)Nc1ccccc1	107128446	573364772	/nfs/dbraw/zinc/36/47/72/573364772.db2.gz	SSLCIULSJPCLJL-NSHDSACASA-N	0	0	181.254	3.093	10	0		AGAERN
OC1(C2CC3(CCC3)C2)CCCCC1	717623812	573365277	/nfs/dbraw/zinc/36/52/77/573365277.db2.gz	COAHFNYLYWSDRH-UHFFFAOYSA-N	0	0	194.318	3.262	10	0		AGAERN
C[C@H]1C[C@@H](C)Nc2cccc(F)c21	258007983	573367685	/nfs/dbraw/zinc/36/76/85/573367685.db2.gz	MPVGCOGULFZYQE-JGVFFNPUSA-N	0	0	179.238	3.133	10	0		AGAERN
CC(C)[C@H](O)c1cc(Cl)cs1	86333776	573366777	/nfs/dbraw/zinc/36/67/77/573366777.db2.gz	LQPMQCADTUJTNB-QMMMGPOBSA-N	0	0	190.695	3.091	10	0		AGAERN
Nc1ccc(C2CCCCC2)c(O)c1	117790156	573366890	/nfs/dbraw/zinc/36/68/90/573366890.db2.gz	XVVKQNFYJQNRQM-UHFFFAOYSA-N	0	0	191.274	3.022	10	0		AGAERN
Cc1ccc(OCOC(C)C)c(C)c1	308563834	573367781	/nfs/dbraw/zinc/36/77/81/573367781.db2.gz	YYUPDGHEMPWJLB-UHFFFAOYSA-N	0	0	194.274	3.065	10	0		AGAERN
C[C@H]1C[C@H](C)c2c(F)cccc2N1	258007992	573367111	/nfs/dbraw/zinc/36/71/11/573367111.db2.gz	MPVGCOGULFZYQE-YUMQZZPRSA-N	0	0	179.238	3.133	10	0		AGAERN
O=C(CCCCF)[C@@H]1[C@H]2CCCC[C@H]21	308563813	573367119	/nfs/dbraw/zinc/36/71/19/573367119.db2.gz	YXHQSQLDNHNBFB-IAZYJMLFSA-N	0	0	198.281	3.132	10	0		AGAERN
C=Cc1cc(Cl)cs1	86334740	573367153	/nfs/dbraw/zinc/36/71/53/573367153.db2.gz	FZBIFLXFFDZTTC-UHFFFAOYSA-N	0	0	144.626	3.045	10	0		AGAERN
CCCC(CCC)c1n[nH]c(CC)n1	132950311	573367179	/nfs/dbraw/zinc/36/71/79/573367179.db2.gz	YHAFCUFPWSCGKZ-UHFFFAOYSA-N	0	0	195.310	3.051	10	0		AGAERN
CC[C@H](C)[C@H](C)[C@@H]1CCCC[C@@H]1O	117798518	573367192	/nfs/dbraw/zinc/36/71/92/573367192.db2.gz	PTPPYDHLCRVMHI-BJDJZHNGSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)(C)c1cc2c(o1)CCCC2=O	107135734	573367799	/nfs/dbraw/zinc/36/77/99/573367799.db2.gz	KDYMHGVQMVRLOL-UHFFFAOYSA-N	0	0	192.258	3.096	10	0		AGAERN
C=CP(=O)(C=C)C(C)C	117787431	573367957	/nfs/dbraw/zinc/36/79/57/573367957.db2.gz	QYAKZJVRKABPNE-UHFFFAOYSA-N	0	0	144.154	3.045	10	0		AGAERN
CCC[C@@H](O)c1cc(Cl)cs1	86333859	573368129	/nfs/dbraw/zinc/36/81/29/573368129.db2.gz	OXLVWOPMPJALRL-SSDOTTSWSA-N	0	0	190.695	3.235	10	0		AGAERN
CC(C)[C@@H](O)c1cc(Cl)cs1	86333777	573368199	/nfs/dbraw/zinc/36/81/99/573368199.db2.gz	LQPMQCADTUJTNB-MRVPVSSYSA-N	0	0	190.695	3.091	10	0		AGAERN
CCCCCc1nc(CC)sc1N	50308274	573371567	/nfs/dbraw/zinc/37/15/67/573371567.db2.gz	LIDRGHWRNKKLSA-UHFFFAOYSA-N	0	0	198.335	3.020	10	0		AGAERN
CSCc1cc2cc(F)ccc2o1	258016254	573371771	/nfs/dbraw/zinc/37/17/71/573371771.db2.gz	LZBYNBDUKZFKAC-UHFFFAOYSA-N	0	0	196.246	3.435	10	0		AGAERN
CC/C(=C/c1ccc(CC)cc1)CO	211950864	573371790	/nfs/dbraw/zinc/37/17/90/573371790.db2.gz	RLCGIDSTBQPTLJ-XFXZXTDPSA-N	0	0	190.286	3.035	10	0		AGAERN
CC(C)Cc1ccc2c(c1)C(=O)CC2	86336137	573372081	/nfs/dbraw/zinc/37/20/81/573372081.db2.gz	SJSHLFVUXUVDLA-UHFFFAOYSA-N	0	0	188.270	3.014	10	0		AGAERN
CCc1nc(C(CC)CC)c(N)s1	50308264	573372119	/nfs/dbraw/zinc/37/21/19/573372119.db2.gz	AMOVETMZGQMLLI-UHFFFAOYSA-N	0	0	198.335	3.191	10	0		AGAERN
COc1ccc2c(c1)[C@H](C)C(C)(C)N2	258322670	573372143	/nfs/dbraw/zinc/37/21/43/573372143.db2.gz	WMUWUZAMYPUUTR-QMMMGPOBSA-N	0	0	191.274	3.003	10	0		AGAERN
C[C@@H]1Nc2ccccc2C12CCCC2	107132979	573372171	/nfs/dbraw/zinc/37/21/71/573372171.db2.gz	SHRSKFHXDYCYDD-JTQLQIEISA-N	0	0	187.286	3.312	10	0		AGAERN
Cc1oc2c([C@@H](C)O)cccc2c1C	258013979	573372299	/nfs/dbraw/zinc/37/22/99/573372299.db2.gz	HOWYBPRTYSAVOT-MRVPVSSYSA-N	0	0	190.242	3.103	10	0		AGAERN
CCSCCC[C@H](C)C(=O)CC	129617817	573372522	/nfs/dbraw/zinc/37/25/22/573372522.db2.gz	VGGWPGKIIIQVQA-VIFPVBQESA-N	0	0	188.336	3.135	10	0		AGAERN
CCSCCC[C@@H](C)C(=O)CC	129618016	573372698	/nfs/dbraw/zinc/37/26/98/573372698.db2.gz	VGGWPGKIIIQVQA-SECBINFHSA-N	0	0	188.336	3.135	10	0		AGAERN
CC(C)(C)[C@H](CF)Nc1ccccc1	107138781	573372800	/nfs/dbraw/zinc/37/28/00/573372800.db2.gz	WPZXNEFLBOLZEY-NSHDSACASA-N	0	0	195.281	3.483	10	0		AGAERN
COc1ccc(NC(C)(C)C)cc1C	238371958	573373019	/nfs/dbraw/zinc/37/30/19/573373019.db2.gz	CMYCLDQSWRSEDW-UHFFFAOYSA-N	0	0	193.290	3.214	10	0		AGAERN
Cc1oc2c([C@H](C)O)cccc2c1C	258013985	573373056	/nfs/dbraw/zinc/37/30/56/573373056.db2.gz	HOWYBPRTYSAVOT-QMMMGPOBSA-N	0	0	190.242	3.103	10	0		AGAERN
CCCCN(CC(F)F)[C@H](C)CC	308375854	573373721	/nfs/dbraw/zinc/37/37/21/573373721.db2.gz	SDFAGGNVGRGJEW-SECBINFHSA-N	0	0	193.281	3.152	10	0		AGAERN
C[C@@H]1CC[C@H](n2cccc2)[C@@H]1C	83046310	573374068	/nfs/dbraw/zinc/37/40/68/573374068.db2.gz	NOGHQJCUSZCXRM-MXWKQRLJSA-N	0	0	163.264	3.095	10	0		AGAERN
C[C@H]1CCCc2cnc(C3CCC3)n21	258328439	573373971	/nfs/dbraw/zinc/37/39/71/573373971.db2.gz	QCVNMEGFFDPWEY-VIFPVBQESA-N	0	0	190.290	3.048	10	0		AGAERN
CO[C@@H](C)c1[nH]c2ccccc2c1C	238372186	573374008	/nfs/dbraw/zinc/37/40/08/573374008.db2.gz	JTGVXZCEUVBPIM-VIFPVBQESA-N	0	0	189.258	3.184	10	0		AGAERN
CSc1ccc(CC2CC2)c(O)c1	238370754	573374603	/nfs/dbraw/zinc/37/46/03/573374603.db2.gz	CWCKRCXMTFBRKI-UHFFFAOYSA-N	0	0	194.299	3.067	10	0		AGAERN
CC(C)(C)[C@@H](CF)Nc1ccccc1	107138779	573374612	/nfs/dbraw/zinc/37/46/12/573374612.db2.gz	WPZXNEFLBOLZEY-LLVKDONJSA-N	0	0	195.281	3.483	10	0		AGAERN
C[C@@H]1CC[C@@H](n2cccc2)[C@@H]1C	83046313	573374671	/nfs/dbraw/zinc/37/46/71/573374671.db2.gz	NOGHQJCUSZCXRM-GMTAPVOTSA-N	0	0	163.264	3.095	10	0		AGAERN
CCCCCn1ccc(C(C)C)n1	308376924	573375019	/nfs/dbraw/zinc/37/50/19/573375019.db2.gz	STCITZIBKNSBNJ-UHFFFAOYSA-N	0	0	180.295	3.197	10	0		AGAERN
CCc1cc2cc(Cl)ccc2[nH]1	117904904	573375122	/nfs/dbraw/zinc/37/51/22/573375122.db2.gz	ZAZKZRJHPUYWFQ-UHFFFAOYSA-N	0	0	179.650	3.384	10	0		AGAERN
CC[C@@H]1CC[C@@H](n2cccc2)[C@@H]1C	83050338	573375238	/nfs/dbraw/zinc/37/52/38/573375238.db2.gz	JPGFHYHAHPVVNX-IJLUTSLNSA-N	0	0	177.291	3.485	10	0		AGAERN
CCc1ccccc1NCC(C)(C)F	107138811	573375277	/nfs/dbraw/zinc/37/52/77/573375277.db2.gz	OHQUSMWNYNQHPF-UHFFFAOYSA-N	0	0	195.281	3.409	10	0		AGAERN
CCc1c(N)ccc2c(C)cccc12	258328168	573375703	/nfs/dbraw/zinc/37/57/03/573375703.db2.gz	UTECKOHYUDXGPS-UHFFFAOYSA-N	0	0	185.270	3.293	10	0		AGAERN
Cc1cc2c(Cl)c(C=O)ccc2o1	107137899	573375749	/nfs/dbraw/zinc/37/57/49/573375749.db2.gz	YNNHYNFOPHZPES-UHFFFAOYSA-N	0	0	194.617	3.207	10	0		AGAERN
CC(=O)CC1C[C@@H](C)C[C@H](C)C1	86352459	573375776	/nfs/dbraw/zinc/37/57/76/573375776.db2.gz	LRWBUXGQBDWVSU-IUCAKERBSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCCC(=O)OCC(C)(C)CC	308376960	573375805	/nfs/dbraw/zinc/37/58/05/573375805.db2.gz	SURDKILCCMYTAU-UHFFFAOYSA-N	0	0	186.295	3.156	10	0		AGAERN
Cc1c(N)ccc2ccc(Cl)cc12	258328145	573375808	/nfs/dbraw/zinc/37/58/08/573375808.db2.gz	USUCRVATQPCVJN-UHFFFAOYSA-N	0	0	191.661	3.384	10	0		AGAERN
Cc1cc2c(cc1F)SCCCN2	107140472	573375948	/nfs/dbraw/zinc/37/59/48/573375948.db2.gz	LGOCJVGAOOYMAD-UHFFFAOYSA-N	0	0	197.278	3.042	10	0		AGAERN
CC[C@@H]1CCCC[C@H]1CC(C)=O	86352492	573375960	/nfs/dbraw/zinc/37/59/60/573375960.db2.gz	UCRYVPMIVMJLCP-MNOVXSKESA-N	0	0	168.280	3.182	10	0		AGAERN
CC(=O)N/C=C\[C@@H](C)CCC=C(C)C	308375956	573376134	/nfs/dbraw/zinc/37/61/34/573376134.db2.gz	ZCIFVBKUFKJNPH-IQQGHNRFSA-N	0	0	195.306	3.019	10	0		AGAERN
CC(=O)C[C@@H]1CC[C@H](C)[C@@H](C)C1	86352517	573376205	/nfs/dbraw/zinc/37/62/05/573376205.db2.gz	ILOKNXWVWWIMJV-ATZCPNFKSA-N	0	0	168.280	3.038	10	0		AGAERN
CCc1ccc(NCC(C)(C)F)cc1	107138806	573376406	/nfs/dbraw/zinc/37/64/06/573376406.db2.gz	VVOGKUYWTCSEEH-UHFFFAOYSA-N	0	0	195.281	3.409	10	0		AGAERN
C[C@@H]1CCCc2cnc(C3CCC3)n21	258328437	573376528	/nfs/dbraw/zinc/37/65/28/573376528.db2.gz	QCVNMEGFFDPWEY-SECBINFHSA-N	0	0	190.290	3.048	10	0		AGAERN
C[C@@H]1c2c(F)cccc2NC1(C)C	258331636	573376572	/nfs/dbraw/zinc/37/65/72/573376572.db2.gz	XFEJBPRRENYFPJ-SSDOTTSWSA-N	0	0	179.238	3.133	10	0		AGAERN
CC[C@H]1CCC[C@H](CC(C)=O)C1	86352538	573376758	/nfs/dbraw/zinc/37/67/58/573376758.db2.gz	ISYNEJMCLNKTKH-WDEREUQCSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H]1CCC[C@@H](CC(C)=O)C1	86352540	573376772	/nfs/dbraw/zinc/37/67/72/573376772.db2.gz	ISYNEJMCLNKTKH-MNOVXSKESA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1ccc(NC(=O)S)c(C)c1C	258641148	573376773	/nfs/dbraw/zinc/37/67/73/573376773.db2.gz	GAWFXTJZBLOJQP-UHFFFAOYSA-N	0	0	195.287	3.074	10	0		AGAERN
CC(=O)C[C@@H]1CC[C@@H](C)[C@@H](C)C1	86352516	573376778	/nfs/dbraw/zinc/37/67/78/573376778.db2.gz	ILOKNXWVWWIMJV-WCABBAIRSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)(C)C(=O)CCCC1CC1	86352776	573376968	/nfs/dbraw/zinc/37/69/68/573376968.db2.gz	AOSVSNAHVFPEGL-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CCSC1(c2ccccc2O)CC1	117872307	573376995	/nfs/dbraw/zinc/37/69/95/573376995.db2.gz	JEZQCOXDEVRDNO-UHFFFAOYSA-N	0	0	194.299	3.134	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1CC(C)=O	86352488	573377005	/nfs/dbraw/zinc/37/70/05/573377005.db2.gz	UCRYVPMIVMJLCP-GHMZBOCLSA-N	0	0	168.280	3.182	10	0		AGAERN
C[C@@H]1CC[C@H](n2cc[nH]c2=S)[C@@H]1C	83045652	573377153	/nfs/dbraw/zinc/37/71/53/573377153.db2.gz	XLVSVGGDTGFXKS-HLTSFMKQSA-N	0	0	196.319	3.153	10	0		AGAERN
CC[C@@H]1CC[C@H](n2cccc2)[C@@H]1C	83050332	573377253	/nfs/dbraw/zinc/37/72/53/573377253.db2.gz	JPGFHYHAHPVVNX-UTUOFQBUSA-N	0	0	177.291	3.485	10	0		AGAERN
CC[C@@H]1CCC[C@H](CC(C)=O)C1	86352537	573377314	/nfs/dbraw/zinc/37/73/14/573377314.db2.gz	ISYNEJMCLNKTKH-GHMZBOCLSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@H]1CCCC[C@@H]1CC(C)=O	86352490	573377350	/nfs/dbraw/zinc/37/73/50/573377350.db2.gz	UCRYVPMIVMJLCP-WDEREUQCSA-N	0	0	168.280	3.182	10	0		AGAERN
Nc1cccc([C@@H]2CCC(F)(F)C2)c1	258017245	573377411	/nfs/dbraw/zinc/37/74/11/573377411.db2.gz	HRBRIUAYZVIZQM-SECBINFHSA-N	0	0	197.228	3.172	10	0		AGAERN
Cc1cccc2c(C)c(N)ccc12	258330509	573377444	/nfs/dbraw/zinc/37/74/44/573377444.db2.gz	UXPPYIOGIWGUHK-UHFFFAOYSA-N	0	0	171.243	3.039	10	0		AGAERN
OC1CCC(CC2CCCC2)CC1	259093487	573377522	/nfs/dbraw/zinc/37/75/22/573377522.db2.gz	JKXXGUYBKJKFLE-UHFFFAOYSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(C)=C(C)c1ccccc1O	117876776	573377526	/nfs/dbraw/zinc/37/75/26/573377526.db2.gz	QMWVDMYTUVCUKW-UHFFFAOYSA-N	0	0	162.232	3.206	10	0		AGAERN
Nc1cccc([C@H]2CCC(F)(F)C2)c1	258017247	573377700	/nfs/dbraw/zinc/37/77/00/573377700.db2.gz	HRBRIUAYZVIZQM-VIFPVBQESA-N	0	0	197.228	3.172	10	0		AGAERN
CC(=O)CC1C[C@H](C)C[C@@H](C)C1	86352461	573377926	/nfs/dbraw/zinc/37/79/26/573377926.db2.gz	LRWBUXGQBDWVSU-RKDXNWHRSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC1CCC(CC(C)=O)CC1	86352444	573378061	/nfs/dbraw/zinc/37/80/61/573378061.db2.gz	WJKZFBNFUAWIOK-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
C[C@H]1c2c(F)cccc2NC1(C)C	258331640	573378276	/nfs/dbraw/zinc/37/82/76/573378276.db2.gz	XFEJBPRRENYFPJ-ZETCQYMHSA-N	0	0	179.238	3.133	10	0		AGAERN
Cc1csc2c([C@H](C)O)cccc12	258017374	573378342	/nfs/dbraw/zinc/37/83/42/573378342.db2.gz	JHOOTJUFDVXEKJ-QMMMGPOBSA-N	0	0	192.283	3.263	10	0		AGAERN
CCC(=O)C[C@@H]1CC[C@H](C)[C@H](C)C1	86353033	573380424	/nfs/dbraw/zinc/38/04/24/573380424.db2.gz	GPFRYHWDEGEGKQ-HBNTYKKESA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@@H]1CCC(=O)[C@@H](CCC2CC2)C1	86354927	573380429	/nfs/dbraw/zinc/38/04/29/573380429.db2.gz	CNCMSDONHDXKQT-KOLCDFICSA-N	0	0	180.291	3.182	10	0		AGAERN
C=C/C=C/C=C/c1ccccc1C=O	308370475	573380498	/nfs/dbraw/zinc/38/04/98/573380498.db2.gz	QERHCUOCOYSUDP-SALQQRKASA-N	0	0	184.238	3.255	10	0		AGAERN
C[C@@H]1CCC(=O)[C@H](CC2CCC2)C1	86354809	573380516	/nfs/dbraw/zinc/38/05/16/573380516.db2.gz	FDOUPXJNUNGQRU-KOLCDFICSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@@H]1CCCC[C@H]1[C@@H](C)C(C)=O	86353463	573380581	/nfs/dbraw/zinc/38/05/81/573380581.db2.gz	GAVWTNYNOQVBNV-WCQGTBRESA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(=O)CC1C[C@@H](C)C[C@H](C)C1	86352966	573380548	/nfs/dbraw/zinc/38/05/48/573380548.db2.gz	ZCMJUUUESCGFBQ-UWVGGRQHSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)C(=O)C[C@H]1CCC[C@H](C)C1	86353194	573380586	/nfs/dbraw/zinc/38/05/86/573380586.db2.gz	LRLSWXCVHMAMDH-QWRGUYRKSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H]1CCC(=O)[C@H](CC(F)F)C1	86355387	573380366	/nfs/dbraw/zinc/38/03/66/573380366.db2.gz	APUSCRKQEVVXGL-YUMQZZPRSA-N	0	0	190.233	3.037	10	0		AGAERN
CC[C@@H](C(C)=O)C1CCCCC1	86353599	573380380	/nfs/dbraw/zinc/38/03/80/573380380.db2.gz	ZJVVJXWYQSPPDF-NSHDSACASA-N	0	0	168.280	3.182	10	0		AGAERN
O=C1CCCCC[C@@H]1CCC1CC1	86354654	573380410	/nfs/dbraw/zinc/38/04/10/573380410.db2.gz	DPRONGCGAXSELJ-LLVKDONJSA-N	0	0	180.291	3.326	10	0		AGAERN
CC[C@](O)(c1cccc(C)c1)C1CC1	83058638	573380596	/nfs/dbraw/zinc/38/05/96/573380596.db2.gz	ZPZKLUNTFNWBOU-CYBMUJFWSA-N	0	0	190.286	3.003	10	0		AGAERN
C[C@@H]1CCC(=O)[C@H](C2CCCC2)C1	86354856	573381368	/nfs/dbraw/zinc/38/13/68/573381368.db2.gz	KZDKYOAFSOHWBL-KOLCDFICSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@@H]1CCC[C@@H]([C@@H](C)C(C)=O)C1	86353584	573381374	/nfs/dbraw/zinc/38/13/74/573381374.db2.gz	XRJJBQIUBCOCLZ-MVWJERBFSA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@@H]1C(=O)CC[C@@H]1C1CC2(CCC2)C1	717625018	573381647	/nfs/dbraw/zinc/38/16/47/573381647.db2.gz	BLZDWXLOPSHLMK-ONGXEEELSA-N	0	0	192.302	3.182	10	0		AGAERN
CC(C)[C@@H]1CCC(=O)[C@@H](CC2CC2)C1	86356133	573381649	/nfs/dbraw/zinc/38/16/49/573381649.db2.gz	FMMQUDLPXLSNHL-NEPJUHHUSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)[C@@H]1CCC(=O)[C@H](CC2CC2)C1	86356129	573381473	/nfs/dbraw/zinc/38/14/73/573381473.db2.gz	FMMQUDLPXLSNHL-VXGBXAGGSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(=O)[C@@H](C)C1CCC(C)CC1	86353505	573381509	/nfs/dbraw/zinc/38/15/09/573381509.db2.gz	IUMGPJBZLCIART-INWMGODYSA-N	0	0	168.280	3.038	10	0		AGAERN
CSCc1c(C)cc(C)c(C)c1O	238376112	573381565	/nfs/dbraw/zinc/38/15/65/573381565.db2.gz	RADDEYXCHLYBQO-UHFFFAOYSA-N	0	0	196.315	3.180	10	0		AGAERN
C[C@H]1CCC(=O)[C@@H](C2CCCC2)C1	86354865	573381602	/nfs/dbraw/zinc/38/16/02/573381602.db2.gz	KZDKYOAFSOHWBL-GXSJLCMTSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@H](C)[C@@H]1C[C@H](C)CCC1=O	86354893	573382797	/nfs/dbraw/zinc/38/27/97/573382797.db2.gz	WSHHDKVWDXSSTN-UTLUCORTSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@@](O)(C1CCCCC1)C1CC1	83058251	573382683	/nfs/dbraw/zinc/38/26/83/573382683.db2.gz	ATTNUKNXGPRPGF-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@](O)(c1ccccc1C)C1CC1	83058595	573382818	/nfs/dbraw/zinc/38/28/18/573382818.db2.gz	FIAKVMOBRLTXDL-CYBMUJFWSA-N	0	0	190.286	3.003	10	0		AGAERN
CCC(=O)CC1C[C@H](C)C[C@@H](C)C1	86352967	573382701	/nfs/dbraw/zinc/38/27/01/573382701.db2.gz	ZCMJUUUESCGFBQ-NXEZZACHSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)[C@H](C)[C@@H]1CC[C@@H](C)[C@@H](C)C1	86353526	573382772	/nfs/dbraw/zinc/38/27/72/573382772.db2.gz	TXSUHMKSKXVTHS-FYLLDIAZSA-N	0	0	182.307	3.284	10	0		AGAERN
C=C/C=C/CCCC[C@@H](O)CCC	78064961	573382777	/nfs/dbraw/zinc/38/27/77/573382777.db2.gz	OGGQFYGKVSPCRR-FYJFLYSWSA-N	0	0	182.307	3.450	10	0		AGAERN
Cc1cnc(-c2ccccc2F)s1	118015400	573382614	/nfs/dbraw/zinc/38/26/14/573382614.db2.gz	ACUYBTARGJBFFK-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
CC[C@H](C(C)=O)[C@@H]1CCC[C@H](C)C1	86353851	573382631	/nfs/dbraw/zinc/38/26/31/573382631.db2.gz	IURYCYHUORXZND-MVWJERBFSA-N	0	0	182.307	3.428	10	0		AGAERN
CSCc1c(C)c(C)cc(C)c1O	238376094	573382633	/nfs/dbraw/zinc/38/26/33/573382633.db2.gz	DNVVOBMZHAIKKF-UHFFFAOYSA-N	0	0	196.315	3.180	10	0		AGAERN
C[C@H]1CCC(=O)[C@H](CCC2CC2)C1	86354925	573382788	/nfs/dbraw/zinc/38/27/88/573382788.db2.gz	CNCMSDONHDXKQT-GXSJLCMTSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@@H]1CCC(=O)[C@H](CC2CC2)C1	86355269	573382828	/nfs/dbraw/zinc/38/28/28/573382828.db2.gz	OLICSVDPTLUPDE-KOLCDFICSA-N	0	0	180.291	3.182	10	0		AGAERN
CCC(=O)[C@@H](C)C1CCC(C)CC1	86357012	573384658	/nfs/dbraw/zinc/38/46/58/573384658.db2.gz	YQXXJKZFQNKMOX-YVNMAJEFSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H](C1CCC(C)CC1)[C@@H](C)O	86358539	573384667	/nfs/dbraw/zinc/38/46/67/573384667.db2.gz	HHKCFLCQBXUPNR-RUJICJSRSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@](O)(C1CCC(C)CC1)C1CC1	83058366	573384773	/nfs/dbraw/zinc/38/47/73/573384773.db2.gz	BMTMMMFDIFQLHP-XIVSLSHWSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@](O)(c1cccc(C)c1)C1CC1	83058636	573384846	/nfs/dbraw/zinc/38/48/46/573384846.db2.gz	ZPZKLUNTFNWBOU-ZDUSSCGKSA-N	0	0	190.286	3.003	10	0		AGAERN
Cc1scnc1-c1cccc(F)c1	118007496	573384882	/nfs/dbraw/zinc/38/48/82/573384882.db2.gz	UBIBJUSEFSRPDK-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
CC[C@H](O)CC1C[C@@H](C)C[C@H](C)C1	86359355	573385030	/nfs/dbraw/zinc/38/50/30/573385030.db2.gz	UYXUZTBLSDTYBC-NHCYSSNCSA-N	0	0	184.323	3.220	10	0		AGAERN
C/C=C\[C@H](C)c1ccc(O)cc1	214879988	573385059	/nfs/dbraw/zinc/38/50/59/573385059.db2.gz	YFXHMCDHIHYBIP-TYRPZCRBSA-N	0	0	162.232	3.072	10	0		AGAERN
C[C@H]1CCC[C@H](CC(=O)C2CC2)C1	86356755	573385280	/nfs/dbraw/zinc/38/52/80/573385280.db2.gz	WXJXFWOLCHFQLY-UWVGGRQHSA-N	0	0	180.291	3.182	10	0		AGAERN
O[C@H](CCC1CCC1)c1ccccc1	86357986	573386587	/nfs/dbraw/zinc/38/65/87/573386587.db2.gz	QRTUCGWSORDARV-CYBMUJFWSA-N	0	0	190.286	3.300	10	0		AGAERN
C[C@H]1C[C@H](CC(=O)C2CC2)CC[C@H]1C	86356770	573386707	/nfs/dbraw/zinc/38/67/07/573386707.db2.gz	MFGBYFOJMPYXAL-OUAUKWLOSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)(C)[C@H](CF)c1cccc(O)c1	258012768	573386712	/nfs/dbraw/zinc/38/67/12/573386712.db2.gz	HKWPOJXGMNLWPF-LLVKDONJSA-N	0	0	196.265	3.491	10	0		AGAERN
CCC(=O)[C@H](C)[C@@H]1CCC[C@H](C)C1	86357018	573386744	/nfs/dbraw/zinc/38/67/44/573386744.db2.gz	YSPBUHBRLRHQPM-HBNTYKKESA-N	0	0	182.307	3.428	10	0		AGAERN
CCC[C@@H]1CC[C@H](O)[C@H](C(C)C)C1	86361817	573387601	/nfs/dbraw/zinc/38/76/01/573387601.db2.gz	QLVPBXNZXPSUGM-WOPDTQHZSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@@H](O)CC1C[C@H](C)C[C@@H](C)C1	86359616	573386796	/nfs/dbraw/zinc/38/67/96/573386796.db2.gz	NYKPZYJOUNJMGA-WZRBSPASSA-N	0	0	198.350	3.466	10	0		AGAERN
CSCc1c[nH]c2ccc(C)cc12	238376531	573386914	/nfs/dbraw/zinc/38/69/14/573386914.db2.gz	AYOPJPPVZQDNEF-UHFFFAOYSA-N	0	0	191.299	3.339	10	0		AGAERN
CC[C@H](C1CCC(C)CC1)[C@@H](C)O	86358541	573387031	/nfs/dbraw/zinc/38/70/31/573387031.db2.gz	HHKCFLCQBXUPNR-RSJDFQLWSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@@H]1CCC[C@H](CC(=O)C2CC2)C1	86356753	573387058	/nfs/dbraw/zinc/38/70/58/573387058.db2.gz	WXJXFWOLCHFQLY-ZJUUUORDSA-N	0	0	180.291	3.182	10	0		AGAERN
CCc1cc(C)c(C)c(C(C)=O)c1	258012217	573387064	/nfs/dbraw/zinc/38/70/64/573387064.db2.gz	NDJDAUJOEYMJCL-UHFFFAOYSA-N	0	0	176.259	3.068	10	0		AGAERN
CSCc1c[nH]c2cc(F)ccc12	238376516	573387255	/nfs/dbraw/zinc/38/72/55/573387255.db2.gz	QRXNQNJYOKEPFP-UHFFFAOYSA-N	0	0	195.262	3.170	10	0		AGAERN
CC(C)=CC[C@@]1(C)CCC=C(C)[C@@H]1O	118240083	573387256	/nfs/dbraw/zinc/38/72/56/573387256.db2.gz	LOZUYPGXBGFLIN-QWHCGFSZSA-N	0	0	194.318	3.450	10	0		AGAERN
Cc1ccc([C@H](C)[C@@H](C)CO)c(C)c1	238377591	573387310	/nfs/dbraw/zinc/38/73/10/573387310.db2.gz	CJVNOJWFQFUOSN-NWDGAFQWSA-N	0	0	192.302	3.035	10	0		AGAERN
COc1cc(C)cc2c(Cl)c[nH]c12	238377347	573387358	/nfs/dbraw/zinc/38/73/58/573387358.db2.gz	DBMFYZKCZPLFCG-UHFFFAOYSA-N	0	0	195.649	3.138	10	0		AGAERN
CSCc1c[nH]c2c(C)cccc12	238376457	573387399	/nfs/dbraw/zinc/38/73/99/573387399.db2.gz	ZHBAZERWOSDPMJ-UHFFFAOYSA-N	0	0	191.299	3.339	10	0		AGAERN
O[C@@H]1CCCCC[C@@H]1CCC1CC1	86360474	573387746	/nfs/dbraw/zinc/38/77/46/573387746.db2.gz	XMXNQYQSXYVQGE-VXGBXAGGSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(C)[C@@H]1CC[C@@H](O)[C@H](CC2CC2)C1	86362407	573387825	/nfs/dbraw/zinc/38/78/25/573387825.db2.gz	WORHKAUZNZRRGO-JHJVBQTASA-N	0	0	196.334	3.220	10	0		AGAERN
C[C@@H]1CC[C@@H](O)[C@H](C2CCCCC2)C1	86361206	573387856	/nfs/dbraw/zinc/38/78/56/573387856.db2.gz	RWZFZCGEBJOKTQ-KGYLQXTDSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@H](O)[C@@H](C)C1CCC(C)CC1	86363563	573388023	/nfs/dbraw/zinc/38/80/23/573388023.db2.gz	NHZGBJZGFCPPHH-ADPBJBESSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@@H]1CC[C@@H](O)[C@H](C2CCCC2)C1	86361722	573388140	/nfs/dbraw/zinc/38/81/40/573388140.db2.gz	SIYRZAKLFLVYSO-KGYLQXTDSA-N	0	0	196.334	3.364	10	0		AGAERN
O[C@@H]1CCCCC[C@H]1CCC1CC1	86360476	573388175	/nfs/dbraw/zinc/38/81/75/573388175.db2.gz	XMXNQYQSXYVQGE-NWDGAFQWSA-N	0	0	182.307	3.118	10	0		AGAERN
CC1CCC([C@@H](C(C)C)[C@H](C)O)CC1	86362843	573389242	/nfs/dbraw/zinc/38/92/42/573389242.db2.gz	IEYJBDPRHVCYQP-MVKMKZAISA-N	0	0	198.350	3.466	10	0		AGAERN
CC[C@H](O)[C@H](C)[C@@H]1CC[C@H](C)[C@H](C)C1	86363427	573389208	/nfs/dbraw/zinc/38/92/08/573389208.db2.gz	QHXPJXTUWQNNBO-CLPYTZEMSA-N	0	0	198.350	3.466	10	0		AGAERN
CC[C@@H]1CC[C@@H](O)[C@H](CC2CCC2)C1	86361664	573389553	/nfs/dbraw/zinc/38/95/53/573389553.db2.gz	OJVOXMWVJIRDPE-KGYLQXTDSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1ccc(C)c([C@H](C)[C@@H](C)CO)c1	238377559	573389583	/nfs/dbraw/zinc/38/95/83/573389583.db2.gz	LIBYUULNRNKHEY-NWDGAFQWSA-N	0	0	192.302	3.035	10	0		AGAERN
CC[C@H](C)[C@@H]1C[C@H](C(C)C)CC[C@@H]1O	86362547	573389639	/nfs/dbraw/zinc/38/96/39/573389639.db2.gz	OUWKVJZCDLTAAV-RNJOBUHISA-N	0	0	198.350	3.466	10	0		AGAERN
C[C@H]1CC(C)(C)c2ccc(F)cc2N1	258012160	573389784	/nfs/dbraw/zinc/38/97/84/573389784.db2.gz	NBPRXNFZVDLGSE-QMMMGPOBSA-N	0	0	193.265	3.307	10	0		AGAERN
CC1CCC([C@@H](C(C)C)[C@@H](C)O)CC1	86362839	573389952	/nfs/dbraw/zinc/38/99/52/573389952.db2.gz	IEYJBDPRHVCYQP-KPFVRQRISA-N	0	0	198.350	3.466	10	0		AGAERN
CC[C@H](O)[C@H](C)[C@@H]1CCC[C@H](C)C1	86363573	573390754	/nfs/dbraw/zinc/39/07/54/573390754.db2.gz	VJNDGWBFRFXWNU-QCNOEVLYSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)=CC[C@@]1(C)CCC=C(C)[C@H]1O	118240088	573390875	/nfs/dbraw/zinc/39/08/75/573390875.db2.gz	LOZUYPGXBGFLIN-CHWSQXEVSA-N	0	0	194.318	3.450	10	0		AGAERN
CC1CCC([C@H](C(C)C)[C@H](C)O)CC1	86362846	573390920	/nfs/dbraw/zinc/39/09/20/573390920.db2.gz	IEYJBDPRHVCYQP-PYNQCMFNSA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)[C@@H](C1CCCCC1)[C@H](C)O	86362738	573391051	/nfs/dbraw/zinc/39/10/51/573391051.db2.gz	VWROXTYIKBNRNT-CMPLNLGQSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@@H](O)[C@@H](C)C1CCC(C)CC1	86363564	573391135	/nfs/dbraw/zinc/39/11/35/573391135.db2.gz	NHZGBJZGFCPPHH-POSLAHMBSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)c1cc2cc(O)ccc2o1	197335829	573391182	/nfs/dbraw/zinc/39/11/82/573391182.db2.gz	ROMKSEKDKJGKOZ-UHFFFAOYSA-N	0	0	176.215	3.262	10	0		AGAERN
CCC[C@@H]1CC[C@@H](O)[C@H](C(C)C)C1	86361822	573391309	/nfs/dbraw/zinc/39/13/09/573391309.db2.gz	QLVPBXNZXPSUGM-GRYCIOLGSA-N	0	0	184.323	3.220	10	0		AGAERN
CC1CCC([C@H](C(C)C)[C@@H](C)O)CC1	86362841	573391356	/nfs/dbraw/zinc/39/13/56/573391356.db2.gz	IEYJBDPRHVCYQP-POOIEITISA-N	0	0	198.350	3.466	10	0		AGAERN
O[C@H]1CCCCC[C@@H]1CCC1CC1	86360477	573391362	/nfs/dbraw/zinc/39/13/62/573391362.db2.gz	XMXNQYQSXYVQGE-NEPJUHHUSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(C)[C@H](C1CCCCC1)[C@@H](C)O	86362736	573391416	/nfs/dbraw/zinc/39/14/16/573391416.db2.gz	VWROXTYIKBNRNT-PWSUYJOCSA-N	0	0	184.323	3.220	10	0		AGAERN
CCCc1ccc2ccccc2c1N	118202233	573391453	/nfs/dbraw/zinc/39/14/53/573391453.db2.gz	JKALBFKYSGMPLZ-UHFFFAOYSA-N	0	0	185.270	3.375	10	0		AGAERN
CC(C)CCC[C@@H](O)[C@@H](C)C(C)C	124259851	573391474	/nfs/dbraw/zinc/39/14/74/573391474.db2.gz	ZUCHRBLTQWVQRB-NWDGAFQWSA-N	0	0	186.339	3.466	10	0		AGAERN
CC[C@@H]1CC[C@H](O)[C@H](CC2CCC2)C1	86361661	573391555	/nfs/dbraw/zinc/39/15/55/573391555.db2.gz	OJVOXMWVJIRDPE-WXHSDQCUSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1(C)C[C@@H]2C=CCC[C@@H](O)C[C@@H]2C1	308569825	573391615	/nfs/dbraw/zinc/39/16/15/573391615.db2.gz	DDVIYHMHZXIGRV-QJPTWQEYSA-N	0	0	194.318	3.140	10	0		AGAERN
CC(C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O	86362008	573391678	/nfs/dbraw/zinc/39/16/78/573391678.db2.gz	XUXDMMANSXOHJM-SRVKXCTJSA-N	0	0	198.350	3.466	10	0		AGAERN
CCCOc1cc(CCC)ccc1N	308569876	573391712	/nfs/dbraw/zinc/39/17/12/573391712.db2.gz	DHGYNQNNMSCWIW-UHFFFAOYSA-N	0	0	193.290	3.010	10	0		AGAERN
CC[C@H](CO)[C@@H](CC)c1ccccc1	308570697	573391825	/nfs/dbraw/zinc/39/18/25/573391825.db2.gz	DUDJUUWXZXHGPM-DGCLKSJQSA-N	0	0	192.302	3.199	10	0		AGAERN
CC[C@H](O)[C@H](C)C1CCC(C)CC1	86363566	573391881	/nfs/dbraw/zinc/39/18/81/573391881.db2.gz	NHZGBJZGFCPPHH-RSJDFQLWSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@@H](C1CCCCC1)[C@@H](C)O	86362734	573391908	/nfs/dbraw/zinc/39/19/08/573391908.db2.gz	VWROXTYIKBNRNT-ZYHUDNBSSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1cc(C)c2c(c1)[C@@]1(CN2)C[C@@H]1C	235580781	573391957	/nfs/dbraw/zinc/39/19/57/573391957.db2.gz	QGTDYXVIDLNHHW-GXFFZTMASA-N	0	0	187.286	3.007	10	0		AGAERN
CC[C@@H]1CC[C@H](O)[C@H](C2CCCC2)C1	86361719	573392025	/nfs/dbraw/zinc/39/20/25/573392025.db2.gz	SIYRZAKLFLVYSO-WXHSDQCUSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@H](C)[C@]1(O)CCCC(C)(C)C1	86388238	573392993	/nfs/dbraw/zinc/39/29/93/573392993.db2.gz	XQZQHXBLKNIXAK-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)(C)C12CCC(CO)(CC1)CC2	224091144	573393028	/nfs/dbraw/zinc/39/30/28/573393028.db2.gz	JLLTXPOJWWLHEB-UHFFFAOYSA-N	0	0	196.334	3.365	10	0		AGAERN
CC[C@H](C)[C@@](C)(O)c1sccc1C	86388169	573393086	/nfs/dbraw/zinc/39/30/86/573393086.db2.gz	BPJKGAUZPUJQGQ-GXSJLCMTSA-N	0	0	198.331	3.310	10	0		AGAERN
CC[C@@H](CO)[C@@H](CC)c1ccccc1	308570698	573393184	/nfs/dbraw/zinc/39/31/84/573393184.db2.gz	DUDJUUWXZXHGPM-WCQYABFASA-N	0	0	192.302	3.199	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1ccc(C)c(F)c1	86388074	573393293	/nfs/dbraw/zinc/39/32/93/573393293.db2.gz	RHTQWUSHKLOSHC-PRHODGIISA-N	0	0	196.265	3.214	10	0		AGAERN
CC[C@H](C)[C@]1(O)CCC[C@H](C)CC1	86388367	573393430	/nfs/dbraw/zinc/39/34/30/573393430.db2.gz	SBYCZVHFFLWJJR-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
CSCc1cccc(C(C)C)c1O	238378259	573393511	/nfs/dbraw/zinc/39/35/11/573393511.db2.gz	DBCUTRBWNQYWBV-UHFFFAOYSA-N	0	0	196.315	3.379	10	0		AGAERN
CC(C)=C/C=C(\[C@H](C)O)[Si](C)(C)C	213215561	573394712	/nfs/dbraw/zinc/39/47/12/573394712.db2.gz	KPBUXYVKMSWVJJ-NGPGYTDTSA-N	0	0	198.382	3.137	10	0		AGAERN
CC[C@@H](C)[C@@]1(O)CCCC(C)(C)C1	86388243	573394249	/nfs/dbraw/zinc/39/42/49/573394249.db2.gz	XQZQHXBLKNIXAK-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)[C@]1(O)CCCC[C@@H]1CC	86388230	573394289	/nfs/dbraw/zinc/39/42/89/573394289.db2.gz	SCRVPMYJDUULCT-SDDRHHMPSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1ccc(C)c(F)c1	86388075	573394339	/nfs/dbraw/zinc/39/43/39/573394339.db2.gz	RHTQWUSHKLOSHC-QPUJVOFHSA-N	0	0	196.265	3.214	10	0		AGAERN
COc1cc(C)cc2sccc12	238378099	573394450	/nfs/dbraw/zinc/39/44/50/573394450.db2.gz	LWLPYUABZMEVJK-UHFFFAOYSA-N	0	0	178.256	3.218	10	0		AGAERN
CSc1ccc2c(c1)CC[C@H](C)N2	238379673	573394456	/nfs/dbraw/zinc/39/44/56/573394456.db2.gz	OSOVCODOFDFPJC-QMMMGPOBSA-N	0	0	193.315	3.155	10	0		AGAERN
CC[C@H](CO)[C@H](CC)c1ccccc1	308570699	573394482	/nfs/dbraw/zinc/39/44/82/573394482.db2.gz	DUDJUUWXZXHGPM-YPMHNXCESA-N	0	0	192.302	3.199	10	0		AGAERN
Cc1cc2c(cc1Cl)NCCC2	78248271	573394572	/nfs/dbraw/zinc/39/45/72/573394572.db2.gz	VIKNRCYTXCGVRM-UHFFFAOYSA-N	0	0	181.666	3.007	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1ccc(C)c(F)c1	86388070	573394683	/nfs/dbraw/zinc/39/46/83/573394683.db2.gz	RHTQWUSHKLOSHC-PELKAZGASA-N	0	0	196.265	3.214	10	0		AGAERN
CC1(C)C[C@@H]2C=CCC[C@H](O)C[C@H]2C1	308569828	573394782	/nfs/dbraw/zinc/39/47/82/573394782.db2.gz	DDVIYHMHZXIGRV-SRVKXCTJSA-N	0	0	194.318	3.140	10	0		AGAERN
CSc1cccc2c1CC[C@H](C)N2	238386518	573394903	/nfs/dbraw/zinc/39/49/03/573394903.db2.gz	SVNXMZVCHAUYLK-QMMMGPOBSA-N	0	0	193.315	3.155	10	0		AGAERN
CCC(CC)CCNc1ccccn1	308568760	573394951	/nfs/dbraw/zinc/39/49/51/573394951.db2.gz	BIMUHEVQVXNPIR-UHFFFAOYSA-N	0	0	192.306	3.320	10	0		AGAERN
COCc1cc2ccc(F)cc2s1	258020172	573395744	/nfs/dbraw/zinc/39/57/44/573395744.db2.gz	MFKWELJHUFETFC-UHFFFAOYSA-N	0	0	196.246	3.187	10	0		AGAERN
CC(C)c1nc(C=O)sc1C(C)C	257810344	573400999	/nfs/dbraw/zinc/40/09/99/573400999.db2.gz	AHOUUEBIQKOALQ-UHFFFAOYSA-N	0	0	197.303	3.202	10	0		AGAERN
CC[C@H](C)C(=O)CC(C)(C)C	86388961	573400404	/nfs/dbraw/zinc/40/04/04/573400404.db2.gz	FIIKWMDZFDTLAC-QMMMGPOBSA-N	0	0	156.269	3.038	10	0		AGAERN
Cc1csc(-c2c[nH]c(=S)[nH]2)c1	118417456	573402662	/nfs/dbraw/zinc/40/26/62/573402662.db2.gz	KEJRMOMLDKMMDC-UHFFFAOYSA-N	0	0	196.300	3.109	10	0		AGAERN
CC[C@H](C)C1=C[C@@H](O)CC(C)(C)C1	86394289	573401814	/nfs/dbraw/zinc/40/18/14/573401814.db2.gz	POPDMSZOPKLIHV-GXSJLCMTSA-N	0	0	182.307	3.140	10	0		AGAERN
C[C@@H](CCO)OC1=CCCCCCC1	308571362	573401819	/nfs/dbraw/zinc/40/18/19/573401819.db2.gz	FDMBFBGIXMAVIG-NSHDSACASA-N	0	0	198.306	3.012	10	0		AGAERN
CSc1nc(C2CCCCC2)c[nH]1	238387563	573402280	/nfs/dbraw/zinc/40/22/80/573402280.db2.gz	QYYYNBFFPRJLAU-UHFFFAOYSA-N	0	0	196.319	3.179	10	0		AGAERN
CC[C@H](C)[C@@H]1CCCCC(=O)C1	86393982	573402361	/nfs/dbraw/zinc/40/23/61/573402361.db2.gz	WDAHDFRUSUGIHQ-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H](C)C(=O)c1ccc(C)c(F)c1	86388865	573402472	/nfs/dbraw/zinc/40/24/72/573402472.db2.gz	SHAONYAZWFKARO-MRVPVSSYSA-N	0	0	194.249	3.363	10	0		AGAERN
C/C(=C\[C@H](C)O)[C@@H](C)c1ccccc1	308575294	573403254	/nfs/dbraw/zinc/40/32/54/573403254.db2.gz	HCUISVHLEFSSJN-NYXKHXTOSA-N	0	0	190.286	3.117	10	0		AGAERN
C[C@@H]1CCCn2c1cnc2C1CCC1	258644952	573403777	/nfs/dbraw/zinc/40/37/77/573403777.db2.gz	WVBNQWZSQSBZKT-SECBINFHSA-N	0	0	190.290	3.048	10	0		AGAERN
CC1=N[C@@H](C)c2cc(Cl)ccc2N1	238388167	573403812	/nfs/dbraw/zinc/40/38/12/573403812.db2.gz	RYBBCFVHRNIAEI-LURJTMIESA-N	0	0	194.665	3.054	10	0		AGAERN
C/C=C1\CC(C)(C)C[C@@H]2C[C@]2(C)[C@H]1O	308575288	573403833	/nfs/dbraw/zinc/40/38/33/573403833.db2.gz	HCRIYJMFOIZCKZ-PGAKWZTLSA-N	0	0	194.318	3.140	10	0		AGAERN
C/C(=C\[C@H](C)O)[C@H](C)c1ccccc1	308575293	573404569	/nfs/dbraw/zinc/40/45/69/573404569.db2.gz	HCUISVHLEFSSJN-GSGCRYEPSA-N	0	0	190.286	3.117	10	0		AGAERN
CC(C)=Cc1ccccc1[C@@H](C)O	238389877	573404796	/nfs/dbraw/zinc/40/47/96/573404796.db2.gz	LIGZCLMISXXVQR-SNVBAGLBSA-N	0	0	176.259	3.163	10	0		AGAERN
CC(=O)c1scc(CC(C)C)c1C	118563137	573406024	/nfs/dbraw/zinc/40/60/24/573406024.db2.gz	XAHVNSLQCRVJNF-UHFFFAOYSA-N	0	0	196.315	3.458	10	0		AGAERN
CC(C)Cc1coc2ccc(O)cc12	118495344	573407152	/nfs/dbraw/zinc/40/71/52/573407152.db2.gz	JACOSOFBNRDJJR-UHFFFAOYSA-N	0	0	190.242	3.337	10	0		AGAERN
CC(C)c1coc2cccc(O)c12	118501726	573407236	/nfs/dbraw/zinc/40/72/36/573407236.db2.gz	PHXXUHQXQBAYSY-UHFFFAOYSA-N	0	0	176.215	3.262	10	0		AGAERN
COCNc1cc(C(C)C)ccc1C	259102406	573411336	/nfs/dbraw/zinc/41/13/36/573411336.db2.gz	OJLDBMBOIZRRPE-UHFFFAOYSA-N	0	0	193.290	3.134	10	0		AGAERN
CCc1cc2c(C)ccc(O)c2o1	118486703	573408207	/nfs/dbraw/zinc/40/82/07/573408207.db2.gz	CONDOPXCUAKGCI-UHFFFAOYSA-N	0	0	176.215	3.009	10	0		AGAERN
CCCc1coc2cc(O)ccc12	118492236	573408224	/nfs/dbraw/zinc/40/82/24/573408224.db2.gz	MWBMWCMFISWOIW-UHFFFAOYSA-N	0	0	176.215	3.091	10	0		AGAERN
C[C@@H]1C(=O)CCC[C@]12C=CCCC2	238389644	573408354	/nfs/dbraw/zinc/40/83/54/573408354.db2.gz	IAPBMZGJVOVUED-ZYHUDNBSSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1=C2CCC(=O)[C@@H](C)[C@]2(C)CC1	238389427	573408487	/nfs/dbraw/zinc/40/84/87/573408487.db2.gz	YTIHMSWFHWRFLF-SKDRFNHKSA-N	0	0	178.275	3.102	10	0		AGAERN
CCc1ccc(O)c2cc(C)oc12	118507063	573408736	/nfs/dbraw/zinc/40/87/36/573408736.db2.gz	GFLJFCGTZYYJFI-UHFFFAOYSA-N	0	0	176.215	3.009	10	0		AGAERN
CCC1(C[C@@H](O)[C@H](C)C2CC2)CCC1	308578804	573409772	/nfs/dbraw/zinc/40/97/72/573409772.db2.gz	OAFKULZMPPTFDM-ZYHUDNBSSA-N	0	0	196.334	3.364	10	0		AGAERN
CSc1ccc2ccc(O)cc2c1	238381972	573411588	/nfs/dbraw/zinc/41/15/88/573411588.db2.gz	ZASJZXKTKJVMBR-UHFFFAOYSA-N	0	0	190.267	3.267	10	0		AGAERN
CCC1(C[C@H](O)[C@H](C)C2CC2)CCC1	308578803	573411150	/nfs/dbraw/zinc/41/11/50/573411150.db2.gz	OAFKULZMPPTFDM-PWSUYJOCSA-N	0	0	196.334	3.364	10	0		AGAERN
COc1cc(C)c(Cl)c(C)c1C	259442102	573411192	/nfs/dbraw/zinc/41/11/92/573411192.db2.gz	ZZVNNTPQJJSYLB-UHFFFAOYSA-N	0	0	184.666	3.274	10	0		AGAERN
O=C(CCc1ccsc1)C1CCC1	83120317	573411212	/nfs/dbraw/zinc/41/12/12/573411212.db2.gz	IJDRYXSRBCOVPA-UHFFFAOYSA-N	0	0	194.299	3.050	10	0		AGAERN
CSc1ccc2c(N)cccc2c1	238381759	573411284	/nfs/dbraw/zinc/41/12/84/573411284.db2.gz	FTUIEPRHHMYKQH-UHFFFAOYSA-N	0	0	189.283	3.144	10	0		AGAERN
CSc1ccc2ccccc2c1N	238382026	573411421	/nfs/dbraw/zinc/41/14/21/573411421.db2.gz	ZQVQPYHUDCAZFB-UHFFFAOYSA-N	0	0	189.283	3.144	10	0		AGAERN
CC[C@@H]1CCC[C@@H]([C@H](O)C2CCC2)C1	83120534	573411526	/nfs/dbraw/zinc/41/15/26/573411526.db2.gz	QUXKELPWLFGELF-RAIGVLPGSA-N	0	0	196.334	3.364	10	0		AGAERN
CSc1ccc2ccc(N)cc2c1	238381924	573411763	/nfs/dbraw/zinc/41/17/63/573411763.db2.gz	GYHKACUMRPBTCH-UHFFFAOYSA-N	0	0	189.283	3.144	10	0		AGAERN
CC[C@@H]1CCC[C@H]([C@H](O)C2CCC2)C1	83120531	573411842	/nfs/dbraw/zinc/41/18/42/573411842.db2.gz	QUXKELPWLFGELF-KGYLQXTDSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)c1ccc([C@H](N)C(F)F)cc1	83119963	573414542	/nfs/dbraw/zinc/41/45/42/573414542.db2.gz	XMCNSWZVEAPCJF-JTQLQIEISA-N	0	0	199.244	3.075	10	0		AGAERN
CCC1CCC([C@@H](O)C2CCC2)CC1	83120694	573414508	/nfs/dbraw/zinc/41/45/08/573414508.db2.gz	SIWPOTAMUJVFSE-GDKBPFBDSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1[C@H](O)C1CCC1	83120887	573413142	/nfs/dbraw/zinc/41/31/42/573413142.db2.gz	FUMMVNSTCIWHIB-KGYLQXTDSA-N	0	0	196.334	3.364	10	0		AGAERN
O[C@@H]1CCC[C@H]1/C=C\CC1CCCC1	308578499	573413499	/nfs/dbraw/zinc/41/34/99/573413499.db2.gz	IONSGWTYINCRDV-VMBFAJSZSA-N	0	0	194.318	3.284	10	0		AGAERN
C[C@@H]1CCC[C@H](C(=O)C2CCC2)C1	83120321	573413586	/nfs/dbraw/zinc/41/35/86/573413586.db2.gz	MQIZYMGKDHOSJA-KOLCDFICSA-N	0	0	180.291	3.182	10	0		AGAERN
O[C@@H](c1ccccc1Cl)C1CCC1	83120858	573413626	/nfs/dbraw/zinc/41/36/26/573413626.db2.gz	FFNUUGFHIIMWQI-LLVKDONJSA-N	0	0	196.677	3.174	10	0		AGAERN
Cc1cc(F)ccc1C(=O)C1CCC1	83120224	573414010	/nfs/dbraw/zinc/41/40/10/573414010.db2.gz	APLOQDYJCGAQMO-UHFFFAOYSA-N	0	0	192.233	3.117	10	0		AGAERN
Cc1cccc([C@H](O)C2CCC2)c1C	83120491	573414021	/nfs/dbraw/zinc/41/40/21/573414021.db2.gz	KCCUDOIGWCYVKL-CYBMUJFWSA-N	0	0	190.286	3.137	10	0		AGAERN
Fc1ccccc1N[C@@H]1C=CCCC1	236215043	573414115	/nfs/dbraw/zinc/41/41/15/573414115.db2.gz	QLZOPQHVDJMYNP-SNVBAGLBSA-N	0	0	191.249	3.346	10	0		AGAERN
CC[C@@H]1CCCC[C@H]1[C@H](O)C1CCC1	83120891	573414153	/nfs/dbraw/zinc/41/41/53/573414153.db2.gz	FUMMVNSTCIWHIB-RAIGVLPGSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@H]1CCC[C@H](C(=O)C2CCC2)C1	83120323	573414234	/nfs/dbraw/zinc/41/42/34/573414234.db2.gz	MQIZYMGKDHOSJA-ONGXEEELSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@H]1CC([C@H](O)C2CCC2)C[C@H](C)C1	83120922	573414326	/nfs/dbraw/zinc/41/43/26/573414326.db2.gz	BEENAXIXPXQLCV-GIPNMCIBSA-N	0	0	196.334	3.220	10	0		AGAERN
Cc1cc(C)cc([C@H](O)C2CCC2)c1	83120660	573414430	/nfs/dbraw/zinc/41/44/30/573414430.db2.gz	KPVHOJPEQULWOK-CYBMUJFWSA-N	0	0	190.286	3.137	10	0		AGAERN
O[C@H](CC1CCCCC1)C1CCC1	83120673	573414439	/nfs/dbraw/zinc/41/44/39/573414439.db2.gz	OKINUFVVPOVURZ-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
O[C@H](c1ccccc1Cl)C1CCC1	83120863	573415023	/nfs/dbraw/zinc/41/50/23/573415023.db2.gz	FFNUUGFHIIMWQI-NSHDSACASA-N	0	0	196.677	3.174	10	0		AGAERN
C[C@@H]1CCC[C@@H](C(=O)C2CCC2)C1	83120325	573415163	/nfs/dbraw/zinc/41/51/63/573415163.db2.gz	MQIZYMGKDHOSJA-MWLCHTKSSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1ccc(-c2nc(Cl)cs2)o1	259442549	573415207	/nfs/dbraw/zinc/41/52/07/573415207.db2.gz	WYKFXTZURQDUMQ-UHFFFAOYSA-N	0	0	199.662	3.365	10	0		AGAERN
CCC1CCC([C@H](O)C2CCC2)CC1	83120693	573415227	/nfs/dbraw/zinc/41/52/27/573415227.db2.gz	SIWPOTAMUJVFSE-KGPNIALWSA-N	0	0	196.334	3.364	10	0		AGAERN
CS[C@@H](C)c1cccc(C)c1O	238384487	573415293	/nfs/dbraw/zinc/41/52/93/573415293.db2.gz	PAADALIIOFQJGW-QMMMGPOBSA-N	0	0	182.288	3.125	10	0		AGAERN
O=C(CCc1cccs1)C1CCC1	83120225	573415473	/nfs/dbraw/zinc/41/54/73/573415473.db2.gz	CRDSZICADOGITA-UHFFFAOYSA-N	0	0	194.299	3.050	10	0		AGAERN
CC[C@@H](C)COc1cccc(C)c1N	50423278	573418603	/nfs/dbraw/zinc/41/86/03/573418603.db2.gz	FDROOOPYQBNBFX-SECBINFHSA-N	0	0	193.290	3.002	10	0		AGAERN
CC[C@H](C)CC[C@@H](O)C(C)(C)C	50428121	573418199	/nfs/dbraw/zinc/41/81/99/573418199.db2.gz	BHXGZESBJFCGGA-VHSXEESVSA-N	0	0	172.312	3.220	10	0		AGAERN
C[C@@H](O)c1cc(Cl)c(Cl)s1	238384365	573418298	/nfs/dbraw/zinc/41/82/98/573418298.db2.gz	FVWIIMFXYCRBCQ-GSVOUGTGSA-N	0	0	197.086	3.108	10	0		AGAERN
CC[C@@H](C)CC[C@@H](O)C(C)(C)C	50428119	573418373	/nfs/dbraw/zinc/41/83/73/573418373.db2.gz	BHXGZESBJFCGGA-NXEZZACHSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@@H](C)COc1cccc(N)c1C	50423274	573418473	/nfs/dbraw/zinc/41/84/73/573418473.db2.gz	XTUUYGWTQMCIMN-SECBINFHSA-N	0	0	193.290	3.002	10	0		AGAERN
C[C@H](CO)c1ccc(C2CCC2)cc1	258024782	573420271	/nfs/dbraw/zinc/42/02/71/573420271.db2.gz	IOVGRBBAXOUAKM-SNVBAGLBSA-N	0	0	190.286	3.050	10	0		AGAERN
Oc1cccc(F)c1C1CCCC1	259445073	573420273	/nfs/dbraw/zinc/42/02/73/573420273.db2.gz	LNIQLPCOQTWAIP-UHFFFAOYSA-N	0	0	180.222	3.189	10	0		AGAERN
CC[C@@H](C)COc1ccc(NC)cc1	50427693	573420110	/nfs/dbraw/zinc/42/01/10/573420110.db2.gz	QZEIJFZQNDIYTN-SNVBAGLBSA-N	0	0	193.290	3.153	10	0		AGAERN
CC[C@@H](C)COc1cc(N)ccc1C	50423281	573422361	/nfs/dbraw/zinc/42/23/61/573422361.db2.gz	SYGRZSCODYTDTK-SECBINFHSA-N	0	0	193.290	3.002	10	0		AGAERN
CCC[C@H](O)c1cc(C)c(C)cc1C	83137795	573422474	/nfs/dbraw/zinc/42/24/74/573422474.db2.gz	WQQQQHOKRODBPI-ZDUSSCGKSA-N	0	0	192.302	3.445	10	0		AGAERN
CC[C@@H](C)CC[C@H](O)C(C)(C)C	50428116	573422582	/nfs/dbraw/zinc/42/25/82/573422582.db2.gz	BHXGZESBJFCGGA-ZJUUUORDSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@H](C)COc1ccc(C)cc1N	50423294	573422588	/nfs/dbraw/zinc/42/25/88/573422588.db2.gz	GGTASMOJOBSQIP-VIFPVBQESA-N	0	0	193.290	3.002	10	0		AGAERN
Cc1cc(C)c([C@H](O)C2CC2)cc1C	83138523	573422702	/nfs/dbraw/zinc/42/27/02/573422702.db2.gz	JXSUCEJQMFWEFI-CYBMUJFWSA-N	0	0	190.286	3.055	10	0		AGAERN
CCC[C@](C)(CO)C1CCCCC1	129991241	573426241	/nfs/dbraw/zinc/42/62/41/573426241.db2.gz	XKHKKNQXTFXREI-GFCCVEGCSA-N	0	0	184.323	3.365	10	0		AGAERN
CC[C@](C)(O)c1cc(C)c(C)cc1C	83138383	573425521	/nfs/dbraw/zinc/42/55/21/573425521.db2.gz	SHOFOHPDKZAUMY-ZDUSSCGKSA-N	0	0	192.302	3.229	10	0		AGAERN
CCC[C@H](CO)C1CCCCCC1	129998030	573425546	/nfs/dbraw/zinc/42/55/46/573425546.db2.gz	MXWMPFNGVOUJKB-GFCCVEGCSA-N	0	0	184.323	3.365	10	0		AGAERN
CC(C)C[C@H](CO)C1CCCCC1	129997584	573425794	/nfs/dbraw/zinc/42/57/94/573425794.db2.gz	NLRBUQBPFPHOTL-GFCCVEGCSA-N	0	0	184.323	3.221	10	0		AGAERN
C[C@@H](CC(C)(C)O)C1CCCCC1	118848330	573428943	/nfs/dbraw/zinc/42/89/43/573428943.db2.gz	IPOLJKDSBXXKRQ-JTQLQIEISA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(=C=C(C)CO)c1ccccc1	144193360	573428304	/nfs/dbraw/zinc/42/83/04/573428304.db2.gz	PJGPSUWHJBHCOH-UHFFFAOYSA-N	0	0	188.270	3.018	10	0		AGAERN
CCCCOc1ccc(N)c(Cl)c1	50470606	573428888	/nfs/dbraw/zinc/42/88/88/573428888.db2.gz	XGVIQMVUNQVWHA-UHFFFAOYSA-N	0	0	199.681	3.101	10	0		AGAERN
Fc1ccc(/C=C/c2cc[nH]c2)cc1	144170681	573429251	/nfs/dbraw/zinc/42/92/51/573429251.db2.gz	FVQJBLVYRINXPC-OWOJBTEDSA-N	0	0	187.217	3.324	10	0		AGAERN
Cc1cocc1Cc1ccccc1	38234692	573429613	/nfs/dbraw/zinc/42/96/13/573429613.db2.gz	AATRESGQQDTFIG-UHFFFAOYSA-N	0	0	172.227	3.179	10	0		AGAERN
COc1c(Cl)ccc2occc12	238393540	573429609	/nfs/dbraw/zinc/42/96/09/573429609.db2.gz	SBUSNMFXBHJXOB-UHFFFAOYSA-N	0	0	182.606	3.095	10	0		AGAERN
COc1c(Cl)ccc2ccoc12	238393084	573429657	/nfs/dbraw/zinc/42/96/57/573429657.db2.gz	RDOKJPLGIQARKK-UHFFFAOYSA-N	0	0	182.606	3.095	10	0		AGAERN
Oc1ccccc1[C@@H]1CCCSC1	257811847	573431781	/nfs/dbraw/zinc/43/17/81/573431781.db2.gz	BKGCTOJJMYRAMJ-SECBINFHSA-N	0	0	194.299	3.003	10	0		AGAERN
Cc1cc([C@H](C)C[C@@H](C)O)c(C)s1	238394640	573432230	/nfs/dbraw/zinc/43/22/30/573432230.db2.gz	ZPWRGBRYDQTPMC-HTQZYQBOSA-N	0	0	198.331	3.239	10	0		AGAERN
CCC1(C[C@H](O)c2ccoc2)CCC1	308581214	573433061	/nfs/dbraw/zinc/43/30/61/573433061.db2.gz	PFFHZRDUBZJOKC-NSHDSACASA-N	0	0	194.274	3.283	10	0		AGAERN
CC1=CC[C@@H]([C@H](O)CC(C)C)C1(C)C	118868790	573434926	/nfs/dbraw/zinc/43/49/26/573434926.db2.gz	GCNAWFACHQGKCN-NWDGAFQWSA-N	0	0	196.334	3.386	10	0		AGAERN
CC1=CC[C@@H]([C@@H](O)CC(C)C)C1(C)C	118868791	573435119	/nfs/dbraw/zinc/43/51/19/573435119.db2.gz	GCNAWFACHQGKCN-RYUDHWBXSA-N	0	0	196.334	3.386	10	0		AGAERN
CCCCCC[C@@H](O)[C@@H]1[C@H]2CCC[C@H]21	238211029	573435155	/nfs/dbraw/zinc/43/51/55/573435155.db2.gz	FKMFKKMAJVEURO-XQHKEYJVSA-N	0	0	196.334	3.364	10	0		AGAERN
COc1ccc2c(c1)CC/C2=C\Cl	238393632	573435208	/nfs/dbraw/zinc/43/52/08/573435208.db2.gz	WGMYOEVEKKMCCX-VQHVLOKHSA-N	0	0	194.661	3.221	10	0		AGAERN
CCC1(C[C@@H](O)c2ccoc2)CCC1	308581213	573435558	/nfs/dbraw/zinc/43/55/58/573435558.db2.gz	PFFHZRDUBZJOKC-LLVKDONJSA-N	0	0	194.274	3.283	10	0		AGAERN
CC[C@H](C)[C@@H](O)[C@@H]1CC=C(C)C1(C)C	118868861	573435617	/nfs/dbraw/zinc/43/56/17/573435617.db2.gz	XQGNLCILXSHNDU-ZMLRMANQSA-N	0	0	196.334	3.386	10	0		AGAERN
CC1=CC[C@H]([C@H](O)CC(C)C)C1(C)C	118868793	573435734	/nfs/dbraw/zinc/43/57/34/573435734.db2.gz	GCNAWFACHQGKCN-VXGBXAGGSA-N	0	0	196.334	3.386	10	0		AGAERN
Cc1cnc2c(C)ccc(C)c2c1	49805039	573435972	/nfs/dbraw/zinc/43/59/72/573435972.db2.gz	FDNNOBWDHUFSPM-UHFFFAOYSA-N	0	0	171.243	3.160	10	0		AGAERN
CCCCCC(=O)c1cccc(N)c1	126201455	573435981	/nfs/dbraw/zinc/43/59/81/573435981.db2.gz	YUXCWDDIQOFTPS-UHFFFAOYSA-N	0	0	191.274	3.032	10	0		AGAERN
C[C@H](C1CCC1)[C@@H](O)c1ccccc1	144283778	573435999	/nfs/dbraw/zinc/43/59/99/573435999.db2.gz	ZANRFXCDLJDLSN-ZWNOBZJWSA-N	0	0	190.286	3.156	10	0		AGAERN
CC[C@H](O)c1cc(C)c(C)cc1Cl	83165617	573436805	/nfs/dbraw/zinc/43/68/05/573436805.db2.gz	HLTXIMFUCHAMQU-NSHDSACASA-N	0	0	198.693	3.400	10	0		AGAERN
CC/C=C/CC[C@H](O)c1ccccc1	238220727	573436722	/nfs/dbraw/zinc/43/67/22/573436722.db2.gz	CYUJRJAYHYHLQX-OOPCZODUSA-N	0	0	190.286	3.466	10	0		AGAERN
Cc1cc([C@H](C)CO)c(C)c(C)c1C	258021597	573437395	/nfs/dbraw/zinc/43/73/95/573437395.db2.gz	IFMIHYFGTNFKCF-SECBINFHSA-N	0	0	192.302	3.016	10	0		AGAERN
CC[C@@H](O)c1cc(C)c(C)cc1Cl	83165619	573437454	/nfs/dbraw/zinc/43/74/54/573437454.db2.gz	HLTXIMFUCHAMQU-LLVKDONJSA-N	0	0	198.693	3.400	10	0		AGAERN
Cc1cc([C@@H](C)CO)c(C)c(C)c1C	258021606	573441053	/nfs/dbraw/zinc/44/10/53/573441053.db2.gz	IFMIHYFGTNFKCF-VIFPVBQESA-N	0	0	192.302	3.016	10	0		AGAERN
CC(C)=C1CCCC[C@H]1C[C@@H](C)O	238396406	573437903	/nfs/dbraw/zinc/43/79/03/573437903.db2.gz	CKZLVNINSDLVQC-MNOVXSKESA-N	0	0	182.307	3.284	10	0		AGAERN
Nc1ccc([C@H]2CC[C@H]2C(F)F)cc1	258021266	573437966	/nfs/dbraw/zinc/43/79/66/573437966.db2.gz	IBFMPBHLFOAQER-NXEZZACHSA-N	0	0	197.228	3.028	10	0		AGAERN
CCCCC(=O)[C@@H](F)CCCC	238215881	573438228	/nfs/dbraw/zinc/43/82/28/573438228.db2.gz	CAXADURJNFMUFQ-VIFPVBQESA-N	0	0	174.259	3.274	10	0		AGAERN
Cc1cc(Cl)c([C@H](C)O)cc1C	83165616	573438334	/nfs/dbraw/zinc/43/83/34/573438334.db2.gz	QITJWYLPCGZGFW-QMMMGPOBSA-N	0	0	184.666	3.010	10	0		AGAERN
Cc1coc([C@H](O)C2CCCCC2)c1	715807667	573438444	/nfs/dbraw/zinc/43/84/44/573438444.db2.gz	RDSYHQZIDOZTOQ-GFCCVEGCSA-N	0	0	194.274	3.202	10	0		AGAERN
Cc1cc(Cl)c([C@@H](C)O)cc1C	83165612	573438451	/nfs/dbraw/zinc/43/84/51/573438451.db2.gz	QITJWYLPCGZGFW-MRVPVSSYSA-N	0	0	184.666	3.010	10	0		AGAERN
Cc1cccc(-c2c[nH]c(Cl)n2)c1	257812637	573438610	/nfs/dbraw/zinc/43/86/10/573438610.db2.gz	BWLDQYOZRCJKEX-UHFFFAOYSA-N	0	0	192.649	3.039	10	0		AGAERN
C[C@@H](O)c1cc2ccsc2s1	238395265	573438663	/nfs/dbraw/zinc/43/86/63/573438663.db2.gz	CALVEAGYBYIYFS-RXMQYKEDSA-N	0	0	184.285	3.016	10	0		AGAERN
CC(=O)c1csc2cc(F)ccc12	258021568	573439175	/nfs/dbraw/zinc/43/91/75/573439175.db2.gz	YMDOSHGVAUUSQS-UHFFFAOYSA-N	0	0	194.230	3.243	10	0		AGAERN
CCc1ccc2c(c1)CCCS2	223063341	573439373	/nfs/dbraw/zinc/43/93/73/573439373.db2.gz	VYGCNHAUVGSKKF-UHFFFAOYSA-N	0	0	178.300	3.287	10	0		AGAERN
Nc1ccc([C@H]2CC[C@@H]2C(F)F)cc1	258021275	573439517	/nfs/dbraw/zinc/43/95/17/573439517.db2.gz	IBFMPBHLFOAQER-ZJUUUORDSA-N	0	0	197.228	3.028	10	0		AGAERN
CC[C@@H]1CCNc2c(F)cccc21	257812766	573439531	/nfs/dbraw/zinc/43/95/31/573439531.db2.gz	BVIXHOCBPOZGHZ-MRVPVSSYSA-N	0	0	179.238	3.135	10	0		AGAERN
COc1c(Cl)cccc1SC	238395090	573439633	/nfs/dbraw/zinc/43/96/33/573439633.db2.gz	GFMVPKSVINMCRA-UHFFFAOYSA-N	0	0	188.679	3.071	10	0		AGAERN
C[C@@H](O)c1cc2ccc(Cl)cc2o1	238395067	573439649	/nfs/dbraw/zinc/43/96/49/573439649.db2.gz	MVMWMABFCOCYLS-ZCFIWIBFSA-N	0	0	196.633	3.140	10	0		AGAERN
CO[C@@H]1CC(C)=CC[C@@H]1C(C)C	238395826	573439786	/nfs/dbraw/zinc/43/97/86/573439786.db2.gz	KQFDNCQZXUTSPC-GHMZBOCLSA-N	0	0	168.280	3.014	10	0		AGAERN
Nc1ccc([C@@H]2CC[C@@H]2C(F)F)cc1	258021269	573439812	/nfs/dbraw/zinc/43/98/12/573439812.db2.gz	IBFMPBHLFOAQER-UWVGGRQHSA-N	0	0	197.228	3.028	10	0		AGAERN
CC1=CCC(=C(C)C)[C@H](C[C@@H](C)O)C1	238396196	573440025	/nfs/dbraw/zinc/44/00/25/573440025.db2.gz	IFARVQQQZSBOTA-NEPJUHHUSA-N	0	0	194.318	3.450	10	0		AGAERN
Cc1coc([C@@H](O)C2CCCCC2)c1	715807672	573440178	/nfs/dbraw/zinc/44/01/78/573440178.db2.gz	RDSYHQZIDOZTOQ-LBPRGKRZSA-N	0	0	194.274	3.202	10	0		AGAERN
Nc1ccc([C@@H]2CC[C@H]2C(F)F)cc1	258021272	573440887	/nfs/dbraw/zinc/44/08/87/573440887.db2.gz	IBFMPBHLFOAQER-VHSXEESVSA-N	0	0	197.228	3.028	10	0		AGAERN
CO[C@H](C)c1[nH]c2ccccc2c1C	238397278	573441510	/nfs/dbraw/zinc/44/15/10/573441510.db2.gz	JTGVXZCEUVBPIM-SECBINFHSA-N	0	0	189.258	3.184	10	0		AGAERN
C=CC1=C(C)CC[C@@]1(C)[C@@H](C)CCO	308586859	573442469	/nfs/dbraw/zinc/44/24/69/573442469.db2.gz	MQTWQRHHVIKITN-AAEUAGOBSA-N	0	0	194.318	3.308	10	0		AGAERN
C[C@@H]1CCCC[C@]12CCCC[C@@H]2O	238397734	573442495	/nfs/dbraw/zinc/44/24/95/573442495.db2.gz	ORSWKNPCTKXOES-WOPDTQHZSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@@H]1CCCC[C@]12CCC[C@@H](O)C2	238397779	573442544	/nfs/dbraw/zinc/44/25/44/573442544.db2.gz	DVVMLHQSDKRDDH-IJLUTSLNSA-N	0	0	182.307	3.118	10	0		AGAERN
C=CC1=C(C)CC[C@]1(C)[C@H](C)CCO	308586860	573442756	/nfs/dbraw/zinc/44/27/56/573442756.db2.gz	MQTWQRHHVIKITN-DGCLKSJQSA-N	0	0	194.318	3.308	10	0		AGAERN
Cc1c(Cl)cnc2cc(F)ccc12	257813596	573442981	/nfs/dbraw/zinc/44/29/81/573442981.db2.gz	CFMVTZHMKYEZNR-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
CCCC(C)(C)OC(=O)C=C(C)C	308390148	573443827	/nfs/dbraw/zinc/44/38/27/573443827.db2.gz	ZEGKJRKBVDJAJS-UHFFFAOYSA-N	0	0	184.279	3.075	10	0		AGAERN
CC1(C)COc2ccc(Cl)cc21	118891925	573443845	/nfs/dbraw/zinc/44/38/45/573443845.db2.gz	BUMCJVKPGBQJKZ-UHFFFAOYSA-N	0	0	182.650	3.010	10	0		AGAERN
CC(F)(F)Cc1c[nH]c2ccccc12	107256091	573443880	/nfs/dbraw/zinc/44/38/80/573443880.db2.gz	RPWXSNVREDUTFG-UHFFFAOYSA-N	0	0	195.212	3.366	10	0		AGAERN
CCCCCCONC1CCCC1	308390536	573444047	/nfs/dbraw/zinc/44/40/47/573444047.db2.gz	ZFPMFTSXGOHUTJ-UHFFFAOYSA-N	0	0	185.311	3.031	10	0		AGAERN
CS[C@H]1CCCc2ccccc2N1	238397431	573444110	/nfs/dbraw/zinc/44/41/10/573444110.db2.gz	SYRHFSXOKNMPEI-NSHDSACASA-N	0	0	193.315	3.124	10	0		AGAERN
COc1cc(O)ccc1C1CCCC1	238396799	573444404	/nfs/dbraw/zinc/44/44/04/573444404.db2.gz	WHPHWFSCWANHHM-UHFFFAOYSA-N	0	0	192.258	3.058	10	0		AGAERN
O[C@H](C1CCCCC1)C1CCCC1	107250309	573444460	/nfs/dbraw/zinc/44/44/60/573444460.db2.gz	IQCGDXUMNIZNDB-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@@H]1CC2=C[C@@H](CCC2)CCC1=O	238396980	573444823	/nfs/dbraw/zinc/44/48/23/573444823.db2.gz	KXTHKZXRMIYZAQ-ZJUUUORDSA-N	0	0	178.275	3.102	10	0		AGAERN
c1ccc2c(c1)NC[C@H]2C1CCCC1	107252645	573444834	/nfs/dbraw/zinc/44/48/34/573444834.db2.gz	CPIBTNTZBHUDNS-LBPRGKRZSA-N	0	0	187.286	3.386	10	0		AGAERN
Nc1cc(C2CCCCCCC2)no1	83187919	573445685	/nfs/dbraw/zinc/44/56/85/573445685.db2.gz	ILBZVMCBZJFBCR-UHFFFAOYSA-N	0	0	194.278	3.085	10	0		AGAERN
CC(C)=C=CC=C=C(C)[C@H](C)[C@@H](C)O	238406082	573447152	/nfs/dbraw/zinc/44/71/52/573447152.db2.gz	SJLDFTMZCIKGEG-COKTVNPCSA-N	0	0	192.302	3.226	10	0		AGAERN
Cc1cc([C@@H](C)C[C@@H](C)O)c(C)s1	238398784	573447407	/nfs/dbraw/zinc/44/74/07/573447407.db2.gz	ZPWRGBRYDQTPMC-JGVFFNPUSA-N	0	0	198.331	3.239	10	0		AGAERN
C[C@H]1C=C([C@H](O)c2ccccc2)CC1	238398479	573447916	/nfs/dbraw/zinc/44/79/16/573447916.db2.gz	LYWRPAXMGUKDNY-ZWNOBZJWSA-N	0	0	188.270	3.076	10	0		AGAERN
CCC(CC)CCNc1nc(C)co1	308588990	573447999	/nfs/dbraw/zinc/44/79/99/573447999.db2.gz	JNVMERGERRVNCJ-UHFFFAOYSA-N	0	0	196.294	3.221	10	0		AGAERN
CC(C)[C@H](c1ccc(N)cc1)C(F)F	107256359	573448066	/nfs/dbraw/zinc/44/80/66/573448066.db2.gz	ZBEXTQITYYEESA-SNVBAGLBSA-N	0	0	199.244	3.274	10	0		AGAERN
FC(F)c1c[nH]c2ccccc12	107256321	573448473	/nfs/dbraw/zinc/44/84/73/573448473.db2.gz	FYNRTZBFTAYBQO-UHFFFAOYSA-N	0	0	167.158	3.106	10	0		AGAERN
C/C=C/C=C/C=C\Br	210900107	573448540	/nfs/dbraw/zinc/44/85/40/573448540.db2.gz	KVLBTXJLSJTMJD-NXCITBJVSA-N	0	0	173.053	3.027	10	0		AGAERN
CSc1cc(Cl)c(O)cc1C	238405943	573448606	/nfs/dbraw/zinc/44/86/06/573448606.db2.gz	ULCQAAXEWLCWQC-UHFFFAOYSA-N	0	0	188.679	3.076	10	0		AGAERN
C/C=C\[C@H](C)C[C@H](O)c1ccccc1	393665178	573448736	/nfs/dbraw/zinc/44/87/36/573448736.db2.gz	GXQJLLXBWRJFCF-CLNXSSTHSA-N	0	0	190.286	3.322	10	0		AGAERN
CCC(CC)c1ccc(F)c(N)c1	257816670	573449255	/nfs/dbraw/zinc/44/92/55/573449255.db2.gz	DGAKWDSNZSNICS-UHFFFAOYSA-N	0	0	181.254	3.312	10	0		AGAERN
C[C@H](F)c1ccc2c(c1)NCCC2	107257256	573449297	/nfs/dbraw/zinc/44/92/97/573449297.db2.gz	JNNAADGRENLWTI-QMMMGPOBSA-N	0	0	179.238	3.075	10	0		AGAERN
F[C@@H]1CC[C@H](c2ccccc2)C1	107259680	573449513	/nfs/dbraw/zinc/44/95/13/573449513.db2.gz	HQPUPVKSGPGCCT-WDEREUQCSA-N	0	0	164.223	3.292	10	0		AGAERN
C[C@H]1C=C([C@@H](O)c2ccccc2)CC1	238398466	573450433	/nfs/dbraw/zinc/45/04/33/573450433.db2.gz	LYWRPAXMGUKDNY-MFKMUULPSA-N	0	0	188.270	3.076	10	0		AGAERN
Cc1ccc(Oc2cnsc2)cc1	258658219	573451711	/nfs/dbraw/zinc/45/17/11/573451711.db2.gz	SLUVUGREFPXDGK-UHFFFAOYSA-N	0	0	191.255	3.244	10	0		AGAERN
C/C(=C/Cl)C[Si](C)(C)C	205268165	573450566	/nfs/dbraw/zinc/45/05/66/573450566.db2.gz	DXSZNOGWILSZFX-ALCCZGGFSA-N	0	0	162.736	3.467	10	0		AGAERN
CC(F)(F)c1oc2ccccc2c1N	107258033	573450605	/nfs/dbraw/zinc/45/06/05/573450605.db2.gz	JCNFKXRPWQFQOJ-UHFFFAOYSA-N	0	0	197.184	3.127	10	0		AGAERN
CCC[C@@H](O)c1ccc(C(C)(C)C)o1	308588458	573450684	/nfs/dbraw/zinc/45/06/84/573450684.db2.gz	NGQVRXMJMFEVFL-SECBINFHSA-N	0	0	196.290	3.411	10	0		AGAERN
F[C@@H]1CC[C@@H](c2ccccc2)C1	107259677	573450937	/nfs/dbraw/zinc/45/09/37/573450937.db2.gz	HQPUPVKSGPGCCT-GHMZBOCLSA-N	0	0	164.223	3.292	10	0		AGAERN
CSc1c(C)[nH]c(C)c1SC	238400668	573451066	/nfs/dbraw/zinc/45/10/66/573451066.db2.gz	MQCIPHKYMKKJDJ-UHFFFAOYSA-N	0	0	187.333	3.075	10	0		AGAERN
F[C@H]1CC[C@H](c2ccccc2)C1	107259675	573451427	/nfs/dbraw/zinc/45/14/27/573451427.db2.gz	HQPUPVKSGPGCCT-QWRGUYRKSA-N	0	0	164.223	3.292	10	0		AGAERN
CCC[C@H](O)c1ccc(C(C)(C)C)o1	308588459	573451595	/nfs/dbraw/zinc/45/15/95/573451595.db2.gz	NGQVRXMJMFEVFL-VIFPVBQESA-N	0	0	196.290	3.411	10	0		AGAERN
CC(C)=CCc1cccc(C=O)c1	142530085	573452284	/nfs/dbraw/zinc/45/22/84/573452284.db2.gz	BEGSAZGTDSSAMC-UHFFFAOYSA-N	0	0	174.243	3.008	10	0		AGAERN
Oc1ccc2ccccc2c1C(F)F	107256372	573452593	/nfs/dbraw/zinc/45/25/93/573452593.db2.gz	VKGSNBUVJQMFIE-UHFFFAOYSA-N	0	0	194.180	3.483	10	0		AGAERN
CSc1c(C)c(C)cc(C)c1C=O	238400839	573452605	/nfs/dbraw/zinc/45/26/05/573452605.db2.gz	CKJIPVOAFJYHCN-UHFFFAOYSA-N	0	0	194.299	3.146	10	0		AGAERN
CSc1c(O)ccc(Cl)c1C	238401044	573453202	/nfs/dbraw/zinc/45/32/02/573453202.db2.gz	IOSXINRSRQOMNH-UHFFFAOYSA-N	0	0	188.679	3.076	10	0		AGAERN
S=c1[nH]ccc(Cl)c1Cl	142530578	573452792	/nfs/dbraw/zinc/45/27/92/573452792.db2.gz	QMDUXKCXRAMDIW-UHFFFAOYSA-N	0	0	180.059	3.051	10	0		AGAERN
Cc1nc(-c2cc[nH]c2)sc1Cl	259455476	573452912	/nfs/dbraw/zinc/45/29/12/573452912.db2.gz	YFAKHAFEOFTVIM-UHFFFAOYSA-N	0	0	198.678	3.100	10	0		AGAERN
C[C@H](F)c1ccc2c(c1)CCCN2	107257422	573453096	/nfs/dbraw/zinc/45/30/96/573453096.db2.gz	MEVVFWZLQJJHEB-QMMMGPOBSA-N	0	0	179.238	3.075	10	0		AGAERN
FCc1cc2ccccc2nc1Cl	107256411	573454143	/nfs/dbraw/zinc/45/41/43/573454143.db2.gz	URYBHXKPIKLPPI-UHFFFAOYSA-N	0	0	195.624	3.358	10	0		AGAERN
C[C@@H](O)C1CCCCCCCC1	224128839	573454249	/nfs/dbraw/zinc/45/42/49/573454249.db2.gz	LKVXEEIRIUQLJL-SNVBAGLBSA-N	0	0	170.296	3.118	10	0		AGAERN
CC[C@@H](CCCO)c1ccccc1C	308590796	573454291	/nfs/dbraw/zinc/45/42/91/573454291.db2.gz	OQZVAMLGVYMYMD-LBPRGKRZSA-N	0	0	192.302	3.261	10	0		AGAERN
C[C@@H]1C=CCC[C@@]12CCCCC2=O	238401055	573454494	/nfs/dbraw/zinc/45/44/94/573454494.db2.gz	CLPWYYKCBCQASJ-ZYHUDNBSSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@@H]1C=CCC[C@]12CCCCC2=O	238401329	573454870	/nfs/dbraw/zinc/45/48/70/573454870.db2.gz	CLPWYYKCBCQASJ-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
CCc1ccc(C(C)=O)c(C)c1C	142503200	573454923	/nfs/dbraw/zinc/45/49/23/573454923.db2.gz	URISTFXVYUJKFZ-UHFFFAOYSA-N	0	0	176.259	3.068	10	0		AGAERN
CC[C@]1(C)Nc2c(O)cccc2[C@@H]1C	258365822	573454929	/nfs/dbraw/zinc/45/49/29/573454929.db2.gz	ZNSRXOIBRKJBMK-UFBFGSQYSA-N	0	0	191.274	3.090	10	0		AGAERN
CC(=O)[C@H](F)CC1CCCCCC1	257813991	573455439	/nfs/dbraw/zinc/45/54/39/573455439.db2.gz	CHAMVRTYNKUHLT-LLVKDONJSA-N	0	0	186.270	3.274	10	0		AGAERN
CSc1c(C)c(C)c(O)c(C)c1C	238400803	573455537	/nfs/dbraw/zinc/45/55/37/573455537.db2.gz	AYNLBCQGIUBLAR-UHFFFAOYSA-N	0	0	196.315	3.348	10	0		AGAERN
Cc1c2cccccc-2c(C)c1C=O	142621973	573455627	/nfs/dbraw/zinc/45/56/27/573455627.db2.gz	ADYXVINDZDKUAR-UHFFFAOYSA-N	0	0	184.238	3.221	10	0		AGAERN
CC(C)C1CCC(/C=C\[C@H](C)O)CC1	308589971	573455636	/nfs/dbraw/zinc/45/56/36/573455636.db2.gz	OCHQQBGXAMSTMM-NTAPNICMSA-N	0	0	196.334	3.386	10	0		AGAERN
CC(=O)c1ccc2c(c1)CCC[C@@H]2F	107267264	573455776	/nfs/dbraw/zinc/45/57/76/573455776.db2.gz	HJOKCNVEEAEOCK-LBPRGKRZSA-N	0	0	192.233	3.236	10	0		AGAERN
Cc1ccc2cccc(O)c2c1C	142640747	573455792	/nfs/dbraw/zinc/45/57/92/573455792.db2.gz	OXUJAAFVNZXDMM-UHFFFAOYSA-N	0	0	172.227	3.162	10	0		AGAERN
Cc1ccc2[nH]cc(Cl)c2c1	86485927	573455823	/nfs/dbraw/zinc/45/58/23/573455823.db2.gz	BOPVBGZBYXBCGJ-UHFFFAOYSA-N	0	0	165.623	3.130	10	0		AGAERN
CC(C)C1CCC(/C=C\[C@@H](C)O)CC1	308589973	573456326	/nfs/dbraw/zinc/45/63/26/573456326.db2.gz	OCHQQBGXAMSTMM-UTQWEBIMSA-N	0	0	196.334	3.386	10	0		AGAERN
CC[C@H](CCCO)c1ccccc1C	308590794	573456341	/nfs/dbraw/zinc/45/63/41/573456341.db2.gz	OQZVAMLGVYMYMD-GFCCVEGCSA-N	0	0	192.302	3.261	10	0		AGAERN
CC[C@@]1(C)Nc2c(O)cccc2[C@@H]1C	258365820	573456475	/nfs/dbraw/zinc/45/64/75/573456475.db2.gz	ZNSRXOIBRKJBMK-QPUJVOFHSA-N	0	0	191.274	3.090	10	0		AGAERN
FCc1ccc2ccccc2c1	107262960	573456584	/nfs/dbraw/zinc/45/65/84/573456584.db2.gz	KXWGWLSNVRANBB-UHFFFAOYSA-N	0	0	160.191	3.309	10	0		AGAERN
F[C@@H]1CCCc2ccccc21	107267116	573458983	/nfs/dbraw/zinc/45/89/83/573458983.db2.gz	OINSGFZXOSXUHS-SNVBAGLBSA-N	0	0	150.196	3.034	10	0		AGAERN
F[C@H]1CCCc2ccccc21	107267114	573459075	/nfs/dbraw/zinc/45/90/75/573459075.db2.gz	OINSGFZXOSXUHS-JTQLQIEISA-N	0	0	150.196	3.034	10	0		AGAERN
Nc1cncc(C2CCCCCC2)c1	257817697	573459552	/nfs/dbraw/zinc/45/95/52/573459552.db2.gz	DWVOGFPJJXPDOW-UHFFFAOYSA-N	0	0	190.290	3.102	10	0		AGAERN
O[C@@H]1CCCCCC[C@@H]1c1ccco1	142669665	573459554	/nfs/dbraw/zinc/45/95/54/573459554.db2.gz	XGISGSYSANZOGK-WDEREUQCSA-N	0	0	194.274	3.078	10	0		AGAERN
CCC[C@H](CC)[C@@H](C)C(C)=O	238222831	573459559	/nfs/dbraw/zinc/45/95/59/573459559.db2.gz	WCUVWAUQFSXLFH-WPRPVWTQSA-N	0	0	156.269	3.038	10	0		AGAERN
Nc1ccc(F)cc1CC1CCCC1	257815177	573460470	/nfs/dbraw/zinc/46/04/70/573460470.db2.gz	CWBDAJMCSVWTLN-UHFFFAOYSA-N	0	0	193.265	3.141	10	0		AGAERN
CC(=O)c1ccc(C(C)(C)F)cc1	107272161	573461920	/nfs/dbraw/zinc/46/19/20/573461920.db2.gz	NJAOXSZWXXIRPY-UHFFFAOYSA-N	0	0	180.222	3.094	10	0		AGAERN
C[C@H]1C[C@@H](C)Nc2cc(F)ccc21	257815422	573462258	/nfs/dbraw/zinc/46/22/58/573462258.db2.gz	CTXFQQTWXKJPLZ-JGVFFNPUSA-N	0	0	179.238	3.133	10	0		AGAERN
C[C@H]1C[C@H](C)c2ccc(F)cc2N1	257815426	573462515	/nfs/dbraw/zinc/46/25/15/573462515.db2.gz	CTXFQQTWXKJPLZ-YUMQZZPRSA-N	0	0	179.238	3.133	10	0		AGAERN
C[C@@H]1C=Cc2c(O)ccc(Cl)c21	238405212	573462532	/nfs/dbraw/zinc/46/25/32/573462532.db2.gz	SEKLAPKVCAVYGO-ZCFIWIBFSA-N	0	0	180.634	3.176	10	0		AGAERN
COc1cc2ccsc2cc1F	238405426	573462641	/nfs/dbraw/zinc/46/26/41/573462641.db2.gz	XLVOKYABFYDQFR-UHFFFAOYSA-N	0	0	182.219	3.049	10	0		AGAERN
CSC(=O)Nc1cc(C)cc(C)c1	238404233	573463077	/nfs/dbraw/zinc/46/30/77/573463077.db2.gz	DLIHKSDLIACJDL-UHFFFAOYSA-N	0	0	195.287	3.198	10	0		AGAERN
CC(=O)c1ccccc1C(C)(C)F	107268579	573463097	/nfs/dbraw/zinc/46/30/97/573463097.db2.gz	WZWQDKVRBDKXJX-UHFFFAOYSA-N	0	0	180.222	3.094	10	0		AGAERN
COc1ccc2c(C)c(Cl)[nH]c2c1	258033900	573463367	/nfs/dbraw/zinc/46/33/67/573463367.db2.gz	SKOHPNARBKAYQV-UHFFFAOYSA-N	0	0	195.649	3.138	10	0		AGAERN
CC(=O)c1ccc2c(c1)[C@H](C)C=C2	238405251	573463544	/nfs/dbraw/zinc/46/35/44/573463544.db2.gz	UDXXOIDDIKPAOU-MRVPVSSYSA-N	0	0	172.227	3.020	10	0		AGAERN
CCC(CC)C(=O)c1ccc(O)cc1	238223387	573463584	/nfs/dbraw/zinc/46/35/84/573463584.db2.gz	YPFKKAVWJIXZEJ-UHFFFAOYSA-N	0	0	192.258	3.011	10	0		AGAERN
CC(C)[C@H](F)c1ccc2c(c1)CCN2	107273393	573463598	/nfs/dbraw/zinc/46/35/98/573463598.db2.gz	PSABVTFXMGLYRL-LBPRGKRZSA-N	0	0	193.265	3.321	10	0		AGAERN
C[C@@H]1CC(C)(C)c2c(F)cccc2N1	258035058	573463858	/nfs/dbraw/zinc/46/38/58/573463858.db2.gz	PNOJYWXCJHPMHU-MRVPVSSYSA-N	0	0	193.265	3.307	10	0		AGAERN
CC(C)C[C@H](C)C[C@]1(O)C[C@H](C)[C@H]1C	308592668	573463926	/nfs/dbraw/zinc/46/39/26/573463926.db2.gz	WKCMEXJIWNBMAW-RVMXOQNASA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)Cc1cc2cc(O)ccc2o1	197343200	573463983	/nfs/dbraw/zinc/46/39/83/573463983.db2.gz	KYTPWIAKLCHGRM-UHFFFAOYSA-N	0	0	190.242	3.337	10	0		AGAERN
CC(C)[C@@H](F)c1ccc2c(c1)CCN2	107273394	573463995	/nfs/dbraw/zinc/46/39/95/573463995.db2.gz	PSABVTFXMGLYRL-GFCCVEGCSA-N	0	0	193.265	3.321	10	0		AGAERN
COc1cc2ccoc2cc1Cl	238405290	573464033	/nfs/dbraw/zinc/46/40/33/573464033.db2.gz	AJVZXAFUBIYTLI-UHFFFAOYSA-N	0	0	182.606	3.095	10	0		AGAERN
C[C@H]1CC(C)(C)c2c(F)cccc2N1	258035063	573464052	/nfs/dbraw/zinc/46/40/52/573464052.db2.gz	PNOJYWXCJHPMHU-QMMMGPOBSA-N	0	0	193.265	3.307	10	0		AGAERN
CC(=O)c1cccc(C(C)(F)F)c1	107268223	573464113	/nfs/dbraw/zinc/46/41/13/573464113.db2.gz	MYVZMPJQLVOWRA-UHFFFAOYSA-N	0	0	184.185	3.001	10	0		AGAERN
CSC(=O)Nc1c(C)cccc1C	238404208	573464940	/nfs/dbraw/zinc/46/49/40/573464940.db2.gz	UUJZKFYDGYQIGF-UHFFFAOYSA-N	0	0	195.287	3.198	10	0		AGAERN
CSc1cc(C)c(O)c(C)c1C	238404608	573464282	/nfs/dbraw/zinc/46/42/82/573464282.db2.gz	JIOCXRCEPZWVLQ-UHFFFAOYSA-N	0	0	182.288	3.039	10	0		AGAERN
Cc1ccc2c(c1)CCC(F)(F)C2	107268527	573464381	/nfs/dbraw/zinc/46/43/81/573464381.db2.gz	OELIRDWVJQGKCA-UHFFFAOYSA-N	0	0	182.213	3.119	10	0		AGAERN
CC(C)C[C@H](C)C[C@]1(O)C[C@@H](C)[C@H]1C	308592666	573464548	/nfs/dbraw/zinc/46/45/48/573464548.db2.gz	WKCMEXJIWNBMAW-LOWDOPEQSA-N	0	0	198.350	3.466	10	0		AGAERN
CSC(=O)Nc1cccc(C)c1C	238404362	573464680	/nfs/dbraw/zinc/46/46/80/573464680.db2.gz	YSSYRPKALFUJRZ-UHFFFAOYSA-N	0	0	195.287	3.198	10	0		AGAERN
Oc1ccc([C@@H]2CCC(F)(F)C2)cc1	258035056	573464698	/nfs/dbraw/zinc/46/46/98/573464698.db2.gz	IVXLYTCDVDSMKL-SECBINFHSA-N	0	0	198.212	3.295	10	0		AGAERN
CC(C)C(F)(F)c1cccc(O)c1	107278881	573465596	/nfs/dbraw/zinc/46/55/96/573465596.db2.gz	ZPIOOAMGRQSVNG-UHFFFAOYSA-N	0	0	186.201	3.140	10	0		AGAERN
Nc1ccc(C2CCCCCC2)nc1	257815935	573465735	/nfs/dbraw/zinc/46/57/35/573465735.db2.gz	DCXNCAGRGFMTOK-UHFFFAOYSA-N	0	0	190.290	3.102	10	0		AGAERN
Oc1ccc([C@H]2CCCC[C@@H]2F)cc1	107278562	573465997	/nfs/dbraw/zinc/46/59/97/573465997.db2.gz	VZAWKKBCHKIEIB-NEPJUHHUSA-N	0	0	194.249	3.388	10	0		AGAERN
CC(C)(C)[C@@H](F)c1cccc(N)c1	107277549	573466006	/nfs/dbraw/zinc/46/60/06/573466006.db2.gz	AYXMYXRGBYISHT-JTQLQIEISA-N	0	0	181.254	3.326	10	0		AGAERN
Oc1ccc([C@H]2CCCC[C@H]2F)cc1	107278565	573466058	/nfs/dbraw/zinc/46/60/58/573466058.db2.gz	VZAWKKBCHKIEIB-VXGBXAGGSA-N	0	0	194.249	3.388	10	0		AGAERN
Clc1ncc(-c2ccco2)s1	258661918	573466077	/nfs/dbraw/zinc/46/60/77/573466077.db2.gz	XKFFAEDWQBLESS-UHFFFAOYSA-N	0	0	185.635	3.057	10	0		AGAERN
CC(C)[C@@H](F)c1ccc(O)cc1	107278502	573466109	/nfs/dbraw/zinc/46/61/09/573466109.db2.gz	RLIBYNCAJWJMFR-SNVBAGLBSA-N	0	0	168.211	3.059	10	0		AGAERN
CC1(C)CCCc2ccccc2O1	139056389	573466140	/nfs/dbraw/zinc/46/61/40/573466140.db2.gz	YEQSMEUHXKHVPE-UHFFFAOYSA-N	0	0	176.259	3.180	10	0		AGAERN
CSc1cc(C)c(O)cc1Cl	238404676	573466176	/nfs/dbraw/zinc/46/61/76/573466176.db2.gz	YWQGWJOIDOMROI-UHFFFAOYSA-N	0	0	188.679	3.076	10	0		AGAERN
Oc1ccc([C@@H]2CCCC[C@@H]2F)cc1	107278559	573466257	/nfs/dbraw/zinc/46/62/57/573466257.db2.gz	VZAWKKBCHKIEIB-RYUDHWBXSA-N	0	0	194.249	3.388	10	0		AGAERN
COc1ccc2c(C3CC3)c[nH]c2c1	238404815	573466413	/nfs/dbraw/zinc/46/64/13/573466413.db2.gz	FZAZQFOEKUHDGU-UHFFFAOYSA-N	0	0	187.242	3.054	10	0		AGAERN
Nc1ccccc1[C@H]1CCCC1(F)F	107278027	573466428	/nfs/dbraw/zinc/46/64/28/573466428.db2.gz	XXINVQAXIMAFPI-SECBINFHSA-N	0	0	197.228	3.172	10	0		AGAERN
CC(C)(C)C(F)(F)c1ccccc1N	107277999	573466572	/nfs/dbraw/zinc/46/65/72/573466572.db2.gz	XTXJKTNJEDHZLN-UHFFFAOYSA-N	0	0	199.244	3.407	10	0		AGAERN
Nc1ccccc1[C@H]1CCCC[C@@H]1F	107278047	573466586	/nfs/dbraw/zinc/46/65/86/573466586.db2.gz	KCVYFLYCAKRDJT-KOLCDFICSA-N	0	0	193.265	3.265	10	0		AGAERN
CC(C)C[C@H](C)C[C@]1(O)C[C@@H](C)[C@@H]1C	308592667	573466695	/nfs/dbraw/zinc/46/66/95/573466695.db2.gz	WKCMEXJIWNBMAW-RNJOBUHISA-N	0	0	198.350	3.466	10	0		AGAERN
Nc1cccc([C@@H]2CCCC[C@@H]2F)c1	107277576	573466720	/nfs/dbraw/zinc/46/67/20/573466720.db2.gz	LEAOTCGKORFFPL-RYUDHWBXSA-N	0	0	193.265	3.265	10	0		AGAERN
CC(C)(C)[C@H](F)c1ccc(O)cc1	107278516	573466766	/nfs/dbraw/zinc/46/67/66/573466766.db2.gz	LMMPBBHYRSVYCQ-SNVBAGLBSA-N	0	0	182.238	3.449	10	0		AGAERN
Cc1c(N)ccc2cccc(Cl)c12	258037127	573466943	/nfs/dbraw/zinc/46/69/43/573466943.db2.gz	GMCOGUZUOKSYTE-UHFFFAOYSA-N	0	0	191.661	3.384	10	0		AGAERN
CNc1ccc(C(F)(F)C2CC2)cc1	259465755	573471041	/nfs/dbraw/zinc/47/10/41/573471041.db2.gz	LNSTUJCVAPGFCS-UHFFFAOYSA-N	0	0	197.228	3.230	10	0		AGAERN
CCCCC[C@H](CCC)[C@@H](C)O	238232225	573471115	/nfs/dbraw/zinc/47/11/15/573471115.db2.gz	IOTITSQULJYFAP-MNOVXSKESA-N	0	0	172.312	3.364	10	0		AGAERN
CC(C)(C)[C@H](F)c1ccccc1O	107279311	573471273	/nfs/dbraw/zinc/47/12/73/573471273.db2.gz	KKLZTHKAKRDQSQ-SNVBAGLBSA-N	0	0	182.238	3.449	10	0		AGAERN
CC(C)C[C@H]1Cc2ccccc2N1	83388971	573471359	/nfs/dbraw/zinc/47/13/59/573471359.db2.gz	WARVQUIRLXIZEG-NSHDSACASA-N	0	0	175.275	3.069	10	0		AGAERN
Clc1cnc(C2CCC2)s1	258665104	573471371	/nfs/dbraw/zinc/47/13/71/573471371.db2.gz	XPZAXFPAKHWRML-UHFFFAOYSA-N	0	0	173.668	3.064	10	0		AGAERN
CSc1cc(Cl)c(C)cc1O	238405802	573471493	/nfs/dbraw/zinc/47/14/93/573471493.db2.gz	NEVMQGYPWIDNLA-UHFFFAOYSA-N	0	0	188.679	3.076	10	0		AGAERN
CCC[C@H](c1ccccc1)[C@H](C)CO	308583094	573471722	/nfs/dbraw/zinc/47/17/22/573471722.db2.gz	KVDOOEAGXHOGPJ-YPMHNXCESA-N	0	0	192.302	3.199	10	0		AGAERN
C/C=C(/CC)CCC	78102462	573477671	/nfs/dbraw/zinc/47/76/71/573477671.db2.gz	QEMJIDSLEPYRLM-YVMONPNESA-N	0	0	112.216	3.143	10	0		AGAERN
C[C@@H]1CC[C@]2(C)C(=O)CCC=C2C1	238413520	573479972	/nfs/dbraw/zinc/47/99/72/573479972.db2.gz	KIUDBTRNPYSNRV-SKDRFNHKSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@@H]1CCC[C@@]1(O)C1CCCCC1	83395016	573476073	/nfs/dbraw/zinc/47/60/73/573476073.db2.gz	CIHZDQHRFAVCAL-PWSUYJOCSA-N	0	0	182.307	3.118	10	0		AGAERN
Oc1cccc([C@H]2CCCC2(F)F)c1	107278922	573476205	/nfs/dbraw/zinc/47/62/05/573476205.db2.gz	ZCODAPXAPDIADV-SNVBAGLBSA-N	0	0	198.212	3.295	10	0		AGAERN
CC(C)(C)[C@@H](F)c1cccc(O)c1	107278905	573476209	/nfs/dbraw/zinc/47/62/09/573476209.db2.gz	UXRFMPWROBPVNL-JTQLQIEISA-N	0	0	182.238	3.449	10	0		AGAERN
C[C@H]1CCC[C@@]1(O)C1CCCCC1	83395017	573476271	/nfs/dbraw/zinc/47/62/71/573476271.db2.gz	CIHZDQHRFAVCAL-JQWIXIFHSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@H]1CCC[C@@]1(O)[C@H]1CCC[C@@H](C)C1	83395595	573476314	/nfs/dbraw/zinc/47/63/14/573476314.db2.gz	XAEJNADBMZLTLS-VOAKCMCISA-N	0	0	196.334	3.364	10	0		AGAERN
CC1=CCC[C@]2(CC[C@@H](C)CO2)C1	238414081	573476365	/nfs/dbraw/zinc/47/63/65/573476365.db2.gz	UBDJPPXBXBGYSN-NEPJUHHUSA-N	0	0	180.291	3.302	10	0		AGAERN
CC1CCC([C@]2(O)CCC[C@H]2C)CC1	83395207	573476504	/nfs/dbraw/zinc/47/65/04/573476504.db2.gz	ZBNYUOMGMPRMMH-KPFVRQRISA-N	0	0	196.334	3.364	10	0		AGAERN
CCCCC[C@H](O)[C@H]1C=CC=CCC1	238238556	573476580	/nfs/dbraw/zinc/47/65/80/573476580.db2.gz	NIRCMQDGJSHAMM-STQMWFEESA-N	0	0	194.318	3.450	10	0		AGAERN
CSc1ccc(CF)c(F)c1	238413352	573476690	/nfs/dbraw/zinc/47/66/90/573476690.db2.gz	DAQXOCYKYONUDX-UHFFFAOYSA-N	0	0	174.215	3.017	10	0		AGAERN
Nc1cccc([C@@H]2CCCCS2)c1	257818349	573476712	/nfs/dbraw/zinc/47/67/12/573476712.db2.gz	FDSZYFUDBPUWKA-NSHDSACASA-N	0	0	193.315	3.227	10	0		AGAERN
CO[C@@]1(C)C=C[C@@H](C(C)C)CC1	238414027	573476888	/nfs/dbraw/zinc/47/68/88/573476888.db2.gz	DGCBFUPLYBLMGB-MNOVXSKESA-N	0	0	168.280	3.014	10	0		AGAERN
CSc1ccc(CF)c(C)c1	238413287	573476982	/nfs/dbraw/zinc/47/69/82/573476982.db2.gz	OSGYMHMREDXVBI-UHFFFAOYSA-N	0	0	170.252	3.186	10	0		AGAERN
CSc1ccc(CF)cc1F	238413592	573477155	/nfs/dbraw/zinc/47/71/55/573477155.db2.gz	JOSHGCYCBDPRPK-UHFFFAOYSA-N	0	0	174.215	3.017	10	0		AGAERN
CCCNc1nc2c(s1)CC[C@H]2C	83389697	573477973	/nfs/dbraw/zinc/47/79/73/573477973.db2.gz	RYQAUUYFXRCDHY-SSDOTTSWSA-N	0	0	196.319	3.015	10	0		AGAERN
Cc1ccc([C@]2(O)CCC[C@@H]2C)cc1	83395763	573478256	/nfs/dbraw/zinc/47/82/56/573478256.db2.gz	HDBZMLBNDXXBGI-AAEUAGOBSA-N	0	0	190.286	3.003	10	0		AGAERN
CC1CCC([C@@]2(O)CCC[C@H]2C)CC1	83395209	573478305	/nfs/dbraw/zinc/47/83/05/573478305.db2.gz	ZBNYUOMGMPRMMH-POOIEITISA-N	0	0	196.334	3.364	10	0		AGAERN
CC1=C[C@H](C)[C@]2(CC1)CC[C@@H](C)[C@@H]2O	238414011	573478367	/nfs/dbraw/zinc/47/83/67/573478367.db2.gz	CJIGFNFSNWVLEG-VOAKCMCISA-N	0	0	194.318	3.140	10	0		AGAERN
c1ccc2c(c1)CC[C@H](c1ccoc1)N2	83389317	573478474	/nfs/dbraw/zinc/47/84/74/573478474.db2.gz	AOZVVBPEZCRDSO-CYBMUJFWSA-N	0	0	199.253	3.379	10	0		AGAERN
CC1CCC([C@]2(O)CCC[C@@H]2C)CC1	83395202	573479020	/nfs/dbraw/zinc/47/90/20/573479020.db2.gz	ZBNYUOMGMPRMMH-MVKMKZAISA-N	0	0	196.334	3.364	10	0		AGAERN
Nc1cccc([C@H]2CCCCS2)c1	257818348	573478770	/nfs/dbraw/zinc/47/87/70/573478770.db2.gz	FDSZYFUDBPUWKA-LLVKDONJSA-N	0	0	193.315	3.227	10	0		AGAERN
C[C@H]1C=C2CC(=O)CC[C@@]2(C)CC1	238413639	573478949	/nfs/dbraw/zinc/47/89/49/573478949.db2.gz	WWNJHIPSACMTAG-BXKDBHETSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)Nc1nc2c(s1)CC[C@@H]2C	83389699	573480002	/nfs/dbraw/zinc/48/00/02/573480002.db2.gz	YUNUDPJGSXQPNU-ZETCQYMHSA-N	0	0	196.319	3.013	10	0		AGAERN
C/C=C1\CC[C@@H]2CCCCC[C@]12CO	308596934	573480125	/nfs/dbraw/zinc/48/01/25/573480125.db2.gz	SGCIQAUQXWLYGL-QWYWAEFASA-N	0	0	194.318	3.286	10	0		AGAERN
C[C@@H]1CCC[C@H]2c3ccccc3N[C@@H]21	238413754	573480194	/nfs/dbraw/zinc/48/01/94/573480194.db2.gz	CENUIBLMYNIFBA-SUZMYJTESA-N	0	0	187.286	3.384	10	0		AGAERN
CO[C@@]1(C)C=C[C@H](C(C)C)CC1	238413859	573480210	/nfs/dbraw/zinc/48/02/10/573480210.db2.gz	DGCBFUPLYBLMGB-QWRGUYRKSA-N	0	0	168.280	3.014	10	0		AGAERN
CC/C=C(/C)[C@@H]1C[C@@H](CCO)C1(C)C	308595673	573480417	/nfs/dbraw/zinc/48/04/17/573480417.db2.gz	RSBUEAPORFTRDX-LIPIYFLUSA-N	0	0	196.334	3.387	10	0		AGAERN
C=COc1ccccc1NCCC	238248219	573481786	/nfs/dbraw/zinc/48/17/86/573481786.db2.gz	ZTSTZMVWLSASGG-UHFFFAOYSA-N	0	0	177.247	3.031	10	0		AGAERN
C/C=C1\CC[C@@H]2CCCCC[C@@]12CO	308596933	573481904	/nfs/dbraw/zinc/48/19/04/573481904.db2.gz	SGCIQAUQXWLYGL-LYMMSMJNSA-N	0	0	194.318	3.286	10	0		AGAERN
Cc1cc([C@H](O)[C@@H](C)CC(C)C)co1	388690897	573482958	/nfs/dbraw/zinc/48/29/58/573482958.db2.gz	KNSRGNHGFWFPSO-JOYOIKCWSA-N	0	0	196.290	3.304	10	0		AGAERN
CCC(CC)(CC)NCC(F)(F)F	83402339	573482907	/nfs/dbraw/zinc/48/29/07/573482907.db2.gz	NJMPIRDXJUMXSB-UHFFFAOYSA-N	0	0	197.244	3.107	10	0		AGAERN
CCCCCc1cc(OC)ccc1O	238247577	573482915	/nfs/dbraw/zinc/48/29/15/573482915.db2.gz	BNRGPDSIZZYESU-UHFFFAOYSA-N	0	0	194.274	3.134	10	0		AGAERN
CC1N=C(C2CCCCC2)SC1=O	259470684	573483068	/nfs/dbraw/zinc/48/30/68/573483068.db2.gz	ZLPLEFDUXWMMKR-UHFFFAOYSA-N	0	0	197.303	3.205	10	0		AGAERN
CCCCCC[C@@H]1CN1C(C)C	39104321	573483232	/nfs/dbraw/zinc/48/32/32/573483232.db2.gz	USBXXYFVZMFXMD-JHJMLUEUSA-N	0	0	169.312	3.049	10	0		AGAERN
CCCCCC[C@H]1CN1C(C)C	39104322	573485013	/nfs/dbraw/zinc/48/50/13/573485013.db2.gz	USBXXYFVZMFXMD-PXYINDEMSA-N	0	0	169.312	3.049	10	0		AGAERN
Cc1cc(O)c(C)c2c1CC[C@@H](C)C2	238415254	573485020	/nfs/dbraw/zinc/48/50/20/573485020.db2.gz	ACTZKEBWWRMZDE-MRVPVSSYSA-N	0	0	190.286	3.134	10	0		AGAERN
Cc1c[nH]c([C@@H]2CCC[C@@H](C)C2)n1	238416008	573486662	/nfs/dbraw/zinc/48/66/62/573486662.db2.gz	OZWDPRBKQIDCNT-PSASIEDQSA-N	0	0	178.279	3.012	10	0		AGAERN
CCCCCc1c[nH]c(C)c1C	238246927	573486826	/nfs/dbraw/zinc/48/68/26/573486826.db2.gz	SHDBOOMSFFVONP-UHFFFAOYSA-N	0	0	165.280	3.364	10	0		AGAERN
O=C1CCCCC[C@H]1CC(F)(F)F	75121344	573486955	/nfs/dbraw/zinc/48/69/55/573486955.db2.gz	LNKJXDXARPNYQL-ZETCQYMHSA-N	0	0	194.196	3.088	10	0		AGAERN
C=Cc1ccc2c(c1)N[C@H](C)CC2	238417116	573487000	/nfs/dbraw/zinc/48/70/00/573487000.db2.gz	RCCDQVIVKAYYPJ-SECBINFHSA-N	0	0	173.259	3.076	10	0		AGAERN
CC(=O)Cc1ccc(F)c(C(C)C)c1	258039082	573487537	/nfs/dbraw/zinc/48/75/37/573487537.db2.gz	JNXMXNWYVZLEPR-UHFFFAOYSA-N	0	0	194.249	3.081	10	0		AGAERN
Cc1c(O)cc2c(c1C)C[C@H](C)CC2	238416758	573487719	/nfs/dbraw/zinc/48/77/19/573487719.db2.gz	ZJPLXQNUHDZRSA-MRVPVSSYSA-N	0	0	190.286	3.134	10	0		AGAERN
CCCCC1=C[C@H]2CCCC(=O)[C@@H]12	197364892	573487862	/nfs/dbraw/zinc/48/78/62/573487862.db2.gz	CAEVGLXEDMEDJP-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
CCCCC1=C[C@@H]2CCCC(=O)[C@@H]12	197364902	573487918	/nfs/dbraw/zinc/48/79/18/573487918.db2.gz	CAEVGLXEDMEDJP-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1cc(O)cc2c1[C@H](C)[C@H](C)CC2	238416802	573488205	/nfs/dbraw/zinc/48/82/05/573488205.db2.gz	ITUIFFQWHYSVGC-PSASIEDQSA-N	0	0	190.286	3.386	10	0		AGAERN
CCC(CC)CNc1cccc(N)c1	130214492	573488377	/nfs/dbraw/zinc/48/83/77/573488377.db2.gz	CJEGQPXSGOYIOV-UHFFFAOYSA-N	0	0	192.306	3.117	10	0		AGAERN
Cc1cccc2c1NC(C)(C)[C@H](C)C2	258038634	573488495	/nfs/dbraw/zinc/48/84/95/573488495.db2.gz	FCPDFHNTVOUQKV-SNVBAGLBSA-N	0	0	189.302	3.378	10	0		AGAERN
C[C@@H]1CCC[C@@]2(C)C(=O)CCC=C12	238416199	573490321	/nfs/dbraw/zinc/49/03/21/573490321.db2.gz	PMCXRSAJFTVUJZ-BXKDBHETSA-N	0	0	178.275	3.102	10	0		AGAERN
CCCCC1=C[C@@H]2CCCC(=O)[C@H]12	197364885	573488738	/nfs/dbraw/zinc/48/87/38/573488738.db2.gz	CAEVGLXEDMEDJP-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
CCCCC1=C[C@H]2C(=O)CCC[C@@H]12	197364851	573488746	/nfs/dbraw/zinc/48/87/46/573488746.db2.gz	QDVKKWNJPSBKLI-WDEREUQCSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@H]1CC(=O)C[C@H](C(C)(C)C)C1	238415974	573488824	/nfs/dbraw/zinc/48/88/24/573488824.db2.gz	XTBLRIDDPIWKQO-RKDXNWHRSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1ccc(Cl)cc1NC1CC1	75119301	573488956	/nfs/dbraw/zinc/48/89/56/573488956.db2.gz	VPTCJAZXIAMEHS-UHFFFAOYSA-N	0	0	181.666	3.223	10	0		AGAERN
CC[C@H](C)[C@@H]1CCC(C)(C)C[C@@H]1O	717455320	573489253	/nfs/dbraw/zinc/48/92/53/573489253.db2.gz	NGCBVLDGSGPMEU-DCAQKATOSA-N	0	0	184.323	3.220	10	0		AGAERN
CCCCC1=C[C@H]2C(=O)CCC[C@H]12	197364839	573489541	/nfs/dbraw/zinc/48/95/41/573489541.db2.gz	QDVKKWNJPSBKLI-GHMZBOCLSA-N	0	0	178.275	3.102	10	0		AGAERN
CCCCC1=C[C@@H]2C(=O)CCC[C@@H]12	197364861	573489522	/nfs/dbraw/zinc/48/95/22/573489522.db2.gz	QDVKKWNJPSBKLI-QWRGUYRKSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@H](C)[C@H]1CCC(C)(C)C[C@@H]1O	717455319	573489999	/nfs/dbraw/zinc/48/99/99/573489999.db2.gz	NGCBVLDGSGPMEU-AXFHLTTASA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H](C)[C@@H]1CCC(C)(C)C[C@H]1O	717455321	573490131	/nfs/dbraw/zinc/49/01/31/573490131.db2.gz	NGCBVLDGSGPMEU-GARJFASQSA-N	0	0	184.323	3.220	10	0		AGAERN
O=C1CCCCC[C@@H]1CC(F)(F)F	75121343	573490141	/nfs/dbraw/zinc/49/01/41/573490141.db2.gz	LNKJXDXARPNYQL-SSDOTTSWSA-N	0	0	194.196	3.088	10	0		AGAERN
Cc1cc(O)cc2c1[C@@H](C)[C@H](C)CC2	238416822	573490218	/nfs/dbraw/zinc/49/02/18/573490218.db2.gz	ITUIFFQWHYSVGC-SCZZXKLOSA-N	0	0	190.286	3.386	10	0		AGAERN
CCCCC1=C[C@H]2CCCC(=O)[C@H]12	197364873	573490242	/nfs/dbraw/zinc/49/02/42/573490242.db2.gz	CAEVGLXEDMEDJP-ZYHUDNBSSA-N	0	0	178.275	3.102	10	0		AGAERN
C=Cc1ccc2c(c1)CC[C@@H](C)N2	238416458	573490279	/nfs/dbraw/zinc/49/02/79/573490279.db2.gz	LQRDTKDDFAJNCW-SECBINFHSA-N	0	0	173.259	3.076	10	0		AGAERN
CCCCC1=C[C@@H]2C(=O)CCC[C@H]12	197364846	573490363	/nfs/dbraw/zinc/49/03/63/573490363.db2.gz	QDVKKWNJPSBKLI-MNOVXSKESA-N	0	0	178.275	3.102	10	0		AGAERN
CSc1cc(F)ccc1Cl	238406618	573491668	/nfs/dbraw/zinc/49/16/68/573491668.db2.gz	YHLYYSVERQXCLB-UHFFFAOYSA-N	0	0	176.643	3.201	10	0		AGAERN
CC[C@H](C)[C@H]1CCC(C)(C)C[C@H]1O	717455322	573491670	/nfs/dbraw/zinc/49/16/70/573491670.db2.gz	NGCBVLDGSGPMEU-HBNTYKKESA-N	0	0	184.323	3.220	10	0		AGAERN
CSc1cc(O)ccc1CC1CC1	238408455	573492132	/nfs/dbraw/zinc/49/21/32/573492132.db2.gz	FPULPLVUXUVVQU-UHFFFAOYSA-N	0	0	194.299	3.067	10	0		AGAERN
C[C@H]1CC(C)(C)C[C@]1(O)C(C)(C)C	235608298	573492133	/nfs/dbraw/zinc/49/21/33/573492133.db2.gz	DPVZARAOQANMLQ-JOYOIKCWSA-N	0	0	184.323	3.220	10	0		AGAERN
Cn1c(Cl)cnc1C1CCCCC1	258691966	573492533	/nfs/dbraw/zinc/49/25/33/573492533.db2.gz	ZFBBFDUOPOAXPS-UHFFFAOYSA-N	0	0	198.697	3.121	10	0		AGAERN
Fc1ccc(Oc2cnsc2)cc1	258685963	573492600	/nfs/dbraw/zinc/49/26/00/573492600.db2.gz	TZYZIFFHMUEUFR-UHFFFAOYSA-N	0	0	195.218	3.075	10	0		AGAERN
C[C@@H]1CC(=O)CC2=CCCC[C@]21C	238408370	573493217	/nfs/dbraw/zinc/49/32/17/573493217.db2.gz	WUFOBSDRUJXSEZ-SKDRFNHKSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@@H]1CC(=O)CC=C2CCCC[C@H]21	238408437	573493445	/nfs/dbraw/zinc/49/34/45/573493445.db2.gz	UNERITMYWCKHAN-SKDRFNHKSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@H]1CCc2c(ccc3occc23)N1	224934637	573495288	/nfs/dbraw/zinc/49/52/88/573495288.db2.gz	UXYSYLCANRNIRH-QMMMGPOBSA-N	0	0	187.242	3.179	10	0		AGAERN
C[C@H]1CC(C)(C)C[C@]1(O)C1CCCC1	235609282	573498130	/nfs/dbraw/zinc/49/81/30/573498130.db2.gz	FJEQPKQEEVLUKG-GXFFZTMASA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@H]1CC(C)(C)C[C@]1(O)CCC1CC1	235609878	573496623	/nfs/dbraw/zinc/49/66/23/573496623.db2.gz	REEXRVIQWQBKPN-GXFFZTMASA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)=C[C@@]1(O)CC(C)(C)C[C@@H]1C	235609462	573496808	/nfs/dbraw/zinc/49/68/08/573496808.db2.gz	CADHCMDILZDJMA-CMPLNLGQSA-N	0	0	182.307	3.140	10	0		AGAERN
C[C@H]1CCC[C@](O)(c2ccoc2)CC1	83434498	573497713	/nfs/dbraw/zinc/49/77/13/573497713.db2.gz	JHMTXGABLAFUIR-CMPLNLGQSA-N	0	0	194.274	3.067	10	0		AGAERN
C[C@H]1CCC[C@@](O)(c2ccco2)CC1	83434524	573498657	/nfs/dbraw/zinc/49/86/57/573498657.db2.gz	DBILRYZBHVWNAA-JQWIXIFHSA-N	0	0	194.274	3.067	10	0		AGAERN
COc1cc(Cl)cc(SC)c1	238418407	573498935	/nfs/dbraw/zinc/49/89/35/573498935.db2.gz	USCJWISAFKXEQZ-UHFFFAOYSA-N	0	0	188.679	3.071	10	0		AGAERN
CCC[C@@H](O)CCCCSCC	130262980	573499079	/nfs/dbraw/zinc/49/90/79/573499079.db2.gz	QUDZHZCYCHRCFT-SNVBAGLBSA-N	0	0	190.352	3.071	10	0		AGAERN
C[C@H]1CCC[C@@](O)(c2ccoc2)CC1	83434500	573499569	/nfs/dbraw/zinc/49/95/69/573499569.db2.gz	JHMTXGABLAFUIR-JQWIXIFHSA-N	0	0	194.274	3.067	10	0		AGAERN
C=Cc1cccc2c1N[C@H](C)CC2	238417491	573499497	/nfs/dbraw/zinc/49/94/97/573499497.db2.gz	AZTOINDPTOTUNV-SECBINFHSA-N	0	0	173.259	3.076	10	0		AGAERN
C[C@@H]1CC(C)(C)C2=C1CCC(=S)N2	238418715	573499555	/nfs/dbraw/zinc/49/95/55/573499555.db2.gz	GGADNSCXMWSLBR-SSDOTTSWSA-N	0	0	195.331	3.017	10	0		AGAERN
C[C@@H]1CCC[C@](O)(c2ccco2)CC1	83434521	573501532	/nfs/dbraw/zinc/50/15/32/573501532.db2.gz	DBILRYZBHVWNAA-ZYHUDNBSSA-N	0	0	194.274	3.067	10	0		AGAERN
C[C@@H]1CCc2ccccc2N[C@@H]1C	238418337	573501540	/nfs/dbraw/zinc/50/15/40/573501540.db2.gz	LEXUYDGACGGHOR-NXEZZACHSA-N	0	0	175.275	3.069	10	0		AGAERN
C[C@@H]1CCC[C@@](O)(c2ccco2)CC1	83434523	573501628	/nfs/dbraw/zinc/50/16/28/573501628.db2.gz	DBILRYZBHVWNAA-PWSUYJOCSA-N	0	0	194.274	3.067	10	0		AGAERN
Cc1nc(C(C)C)sc1Cl	259109165	573501844	/nfs/dbraw/zinc/50/18/44/573501844.db2.gz	BAVIHEXHFOOQFB-UHFFFAOYSA-N	0	0	175.684	3.228	10	0		AGAERN
CCC[C@]1(O)CCC[C@H](C)CC1	83434509	573501923	/nfs/dbraw/zinc/50/19/23/573501923.db2.gz	CTKZXTFCDOVOQI-QWRGUYRKSA-N	0	0	170.296	3.118	10	0		AGAERN
C[C@@H]1Nc2ccccc2CC[C@H]1C	238418357	573501926	/nfs/dbraw/zinc/50/19/26/573501926.db2.gz	LEXUYDGACGGHOR-ZJUUUORDSA-N	0	0	175.275	3.069	10	0		AGAERN
Nc1cc(F)c2ccc(Cl)cc2c1	258044723	573501987	/nfs/dbraw/zinc/50/19/87/573501987.db2.gz	JMGMAXOORWGKGP-UHFFFAOYSA-N	0	0	195.624	3.215	10	0		AGAERN
C/C(=C\c1ccc(C(F)F)cc1)CO	308397725	573502025	/nfs/dbraw/zinc/50/20/25/573502025.db2.gz	SLIXALVBCJCWQK-SOFGYWHQSA-N	0	0	198.212	3.020	10	0		AGAERN
CC(=O)c1ncsc1C1CCCC1	258696508	573502124	/nfs/dbraw/zinc/50/21/24/573502124.db2.gz	XKFPPOJTUWFOOC-UHFFFAOYSA-N	0	0	195.287	3.003	10	0		AGAERN
CSc1ccc(O)cc1C(C)C	238418440	573502396	/nfs/dbraw/zinc/50/23/96/573502396.db2.gz	VDNYBQKPYHBNOP-UHFFFAOYSA-N	0	0	182.288	3.238	10	0		AGAERN
CCC[C@]1(O)CCC[C@@H](C)CC1	83434511	573502405	/nfs/dbraw/zinc/50/24/05/573502405.db2.gz	CTKZXTFCDOVOQI-MNOVXSKESA-N	0	0	170.296	3.118	10	0		AGAERN
C[C@@H]1CC(C)(C)CC(C)(C)C1=O	238419040	573504704	/nfs/dbraw/zinc/50/47/04/573504704.db2.gz	SQHQZAGLUBNFHM-MRVPVSSYSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCn1ccc2cc(OC)ccc21	75234816	573504725	/nfs/dbraw/zinc/50/47/25/573504725.db2.gz	SWYDJULABIVIEX-UHFFFAOYSA-N	0	0	189.258	3.060	10	0		AGAERN
COc1ccc2c(ccn2C(C)C)c1	75234821	573504413	/nfs/dbraw/zinc/50/44/13/573504413.db2.gz	MNCDAITVFYBDGG-UHFFFAOYSA-N	0	0	189.258	3.231	10	0		AGAERN
Nc1ccccc1[C@@H]1CC[C@@H]1C(F)F	258048610	573504624	/nfs/dbraw/zinc/50/46/24/573504624.db2.gz	JXJMHZXADOWZKU-CBAPKCEASA-N	0	0	197.228	3.028	10	0		AGAERN
C/C(=C\c1cccc(C(F)F)c1)CO	308399957	573505874	/nfs/dbraw/zinc/50/58/74/573505874.db2.gz	VSABZBHTYSZAKR-VMPITWQZSA-N	0	0	198.212	3.020	10	0		AGAERN
CC(C)Cn1ccc2cc(F)ccc21	75234154	573506319	/nfs/dbraw/zinc/50/63/19/573506319.db2.gz	HUQXFNHXEOSIAZ-UHFFFAOYSA-N	0	0	191.249	3.436	10	0		AGAERN
CCC[C@H]1CCC[C@](C)(O)CC1	83437977	573507599	/nfs/dbraw/zinc/50/75/99/573507599.db2.gz	UXSFLJITMLOSRA-QWRGUYRKSA-N	0	0	170.296	3.118	10	0		AGAERN
CC[C@@H]1CCC[C@](O)(CC)CC1	83436496	573507830	/nfs/dbraw/zinc/50/78/30/573507830.db2.gz	UIKIBJXXLMBUPJ-GHMZBOCLSA-N	0	0	170.296	3.118	10	0		AGAERN
Cc1cc([C@@]2(O)CC[C@H](C)C2)cs1	83448751	573509659	/nfs/dbraw/zinc/50/96/59/573509659.db2.gz	LTWZUWIAYIXROJ-GZMMTYOYSA-N	0	0	196.315	3.064	10	0		AGAERN
CC[C@H](C)[C@@](C)(O)c1ccsc1	83447539	573510976	/nfs/dbraw/zinc/51/09/76/573510976.db2.gz	HUZIDXSEVIDWGO-WCBMZHEXSA-N	0	0	184.304	3.002	10	0		AGAERN
CC(C)(C)C[C@@H](O)c1ccsc1	83448501	573511041	/nfs/dbraw/zinc/51/10/41/573511041.db2.gz	KWCYEVMXEZCIMA-SECBINFHSA-N	0	0	184.304	3.218	10	0		AGAERN
CC[C@H]1CC[C@@](O)(c2ccsc2)C1	83448801	573509488	/nfs/dbraw/zinc/50/94/88/573509488.db2.gz	DCSAOSQEXMSDSQ-ONGXEEELSA-N	0	0	196.315	3.146	10	0		AGAERN
Cc1cc([C@@]2(O)CCC[C@H]2C)cs1	83448967	573509497	/nfs/dbraw/zinc/50/94/97/573509497.db2.gz	PMRZKEQHINZYTL-LDYMZIIASA-N	0	0	196.315	3.064	10	0		AGAERN
Cc1cc([C@H](O)C(C)(C)C)cs1	83448477	573509518	/nfs/dbraw/zinc/50/95/18/573509518.db2.gz	JSTSXYPWERFBQZ-VIFPVBQESA-N	0	0	184.304	3.136	10	0		AGAERN
Cc1cc(-c2ccc(N)cc2)cs1	83446679	573509534	/nfs/dbraw/zinc/50/95/34/573509534.db2.gz	XPJUNKGPFHANGB-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
Cc1cc(C2(O)CCCCC2)cs1	83447235	573509557	/nfs/dbraw/zinc/50/95/57/573509557.db2.gz	FCYXBRRICFQXJL-UHFFFAOYSA-N	0	0	196.315	3.208	10	0		AGAERN
C[C@@H]1CCCC[C@]1(O)c1ccsc1	83447304	573509598	/nfs/dbraw/zinc/50/95/98/573509598.db2.gz	UOEAYBRMCJXYOF-MWLCHTKSSA-N	0	0	196.315	3.146	10	0		AGAERN
C[C@H](O)C1(C(C)(C)C)CCCCC1	238420263	573509612	/nfs/dbraw/zinc/50/96/12/573509612.db2.gz	FAFZPRZNCODHBS-JTQLQIEISA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1cc([C@]2(O)CCC[C@H]2C)cs1	83448966	573509654	/nfs/dbraw/zinc/50/96/54/573509654.db2.gz	PMRZKEQHINZYTL-KCJUWKMLSA-N	0	0	196.315	3.064	10	0		AGAERN
Cc1cc(C(=O)C(C)(C)C)cs1	83450023	573509724	/nfs/dbraw/zinc/50/97/24/573509724.db2.gz	AMXHYHWDKNTKAH-UHFFFAOYSA-N	0	0	182.288	3.285	10	0		AGAERN
C[C@@H]1CCCC[C@@]1(O)c1ccsc1	83447307	573509806	/nfs/dbraw/zinc/50/98/06/573509806.db2.gz	UOEAYBRMCJXYOF-KOLCDFICSA-N	0	0	196.315	3.146	10	0		AGAERN
CC(C)(C)[C@@H]1CCC[C@@](C)(O)CC1	83438691	573509814	/nfs/dbraw/zinc/50/98/14/573509814.db2.gz	WBIPPFFEPRVKGX-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H]1CC[C@@](O)(c2ccsc2)C1	83448799	573509885	/nfs/dbraw/zinc/50/98/85/573509885.db2.gz	DCSAOSQEXMSDSQ-KOLCDFICSA-N	0	0	196.315	3.146	10	0		AGAERN
CC(=O)c1ccccc1C(C)(C)CF	257821878	573509974	/nfs/dbraw/zinc/50/99/74/573509974.db2.gz	GBPDUSXIHMJYPZ-UHFFFAOYSA-N	0	0	194.249	3.136	10	0		AGAERN
COSc1ccc(Cl)s1	259110799	573510215	/nfs/dbraw/zinc/51/02/15/573510215.db2.gz	AVXBHNLKQZSBNJ-UHFFFAOYSA-N	0	0	180.681	3.055	10	0		AGAERN
Cc1ccc(N)c(-c2ccsc2)c1	83446653	573510272	/nfs/dbraw/zinc/51/02/72/573510272.db2.gz	BJAXFQWEWCGOAE-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
CC(C)(C)[C@H]1CCC[C@](C)(O)CC1	83438688	573511869	/nfs/dbraw/zinc/51/18/69/573511869.db2.gz	WBIPPFFEPRVKGX-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@H]1CC(C)(C)[C@@H]2C=CC=C21	238421394	573510432	/nfs/dbraw/zinc/51/04/32/573510432.db2.gz	PWFOALAVZXLDJW-PSASIEDQSA-N	0	0	148.249	3.165	10	0		AGAERN
CCCC(=O)c1csc(C)c1	83450010	573510533	/nfs/dbraw/zinc/51/05/33/573510533.db2.gz	SZGRITDIDLUOSU-UHFFFAOYSA-N	0	0	168.261	3.039	10	0		AGAERN
Cc1cc(C(=O)C2CCC2)cs1	83450259	573510709	/nfs/dbraw/zinc/51/07/09/573510709.db2.gz	AAHBPPXIUJFJEC-UHFFFAOYSA-N	0	0	180.272	3.039	10	0		AGAERN
O[C@@H](c1ccsc1)[C@@H]1CC=CCC1	83448380	573510839	/nfs/dbraw/zinc/51/08/39/573510839.db2.gz	MJMWLPFGBJOUFV-MWLCHTKSSA-N	0	0	194.299	3.138	10	0		AGAERN
CC1=C(C)C(C)([C@H](C)O)C(C)=C1C	238420306	573510898	/nfs/dbraw/zinc/51/08/98/573510898.db2.gz	RNGLZHZEEGDOHA-NSHDSACASA-N	0	0	180.291	3.060	10	0		AGAERN
Cc1cc([C@]2(O)CCC[C@@H]2C)cs1	83448956	573511046	/nfs/dbraw/zinc/51/10/46/573511046.db2.gz	PMRZKEQHINZYTL-KWQFWETISA-N	0	0	196.315	3.064	10	0		AGAERN
CC[C@](O)(c1csc(C)c1)C(C)C	83447543	573511129	/nfs/dbraw/zinc/51/11/29/573511129.db2.gz	YKITTYOIHWUSAT-LLVKDONJSA-N	0	0	198.331	3.310	10	0		AGAERN
C[C@H]1CCCC[C@]1(O)c1ccsc1	83447305	573511175	/nfs/dbraw/zinc/51/11/75/573511175.db2.gz	UOEAYBRMCJXYOF-GXSJLCMTSA-N	0	0	196.315	3.146	10	0		AGAERN
O[C@H](c1ccsc1)[C@H]1CC=CCC1	83448377	573511249	/nfs/dbraw/zinc/51/12/49/573511249.db2.gz	MJMWLPFGBJOUFV-ONGXEEELSA-N	0	0	194.299	3.138	10	0		AGAERN
CC[C@@H](C)[C@](C)(O)c1csc(C)c1	83447528	573511253	/nfs/dbraw/zinc/51/12/53/573511253.db2.gz	FRRQVUDDAPNDFP-KCJUWKMLSA-N	0	0	198.331	3.310	10	0		AGAERN
Cc1ccc(-c2ccsc2)cc1N	83446669	573511280	/nfs/dbraw/zinc/51/12/80/573511280.db2.gz	KLVATVXHLOSOKA-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
O[C@H](c1ccsc1)[C@@H]1CC=CCC1	83448383	573511290	/nfs/dbraw/zinc/51/12/90/573511290.db2.gz	MJMWLPFGBJOUFV-KOLCDFICSA-N	0	0	194.299	3.138	10	0		AGAERN
Cc1cc([C@]2(O)CC[C@H](C)C2)cs1	83448750	573511302	/nfs/dbraw/zinc/51/13/02/573511302.db2.gz	LTWZUWIAYIXROJ-KWQFWETISA-N	0	0	196.315	3.064	10	0		AGAERN
CC[C@H](C)[C@@](C)(O)c1csc(C)c1	83447532	573511308	/nfs/dbraw/zinc/51/13/08/573511308.db2.gz	FRRQVUDDAPNDFP-GZMMTYOYSA-N	0	0	198.331	3.310	10	0		AGAERN
Cc1cc([C@@H](O)C2CCCC2)cs1	83448307	573511387	/nfs/dbraw/zinc/51/13/87/573511387.db2.gz	KVNDBPITHGNDEZ-NSHDSACASA-N	0	0	196.315	3.280	10	0		AGAERN
CC[C@@](O)(c1csc(C)c1)C(C)C	83447541	573511409	/nfs/dbraw/zinc/51/14/09/573511409.db2.gz	YKITTYOIHWUSAT-NSHDSACASA-N	0	0	198.331	3.310	10	0		AGAERN
O[C@@H](c1ccsc1)[C@H]1CC=CCC1	83448373	573511444	/nfs/dbraw/zinc/51/14/44/573511444.db2.gz	MJMWLPFGBJOUFV-GXSJLCMTSA-N	0	0	194.299	3.138	10	0		AGAERN
CC[C@@H](C)[C@@](C)(O)c1ccsc1	83447537	573511460	/nfs/dbraw/zinc/51/14/60/573511460.db2.gz	HUZIDXSEVIDWGO-PSASIEDQSA-N	0	0	184.304	3.002	10	0		AGAERN
CC[C@H](C)[C@](C)(O)c1csc(C)c1	83447529	573511466	/nfs/dbraw/zinc/51/14/66/573511466.db2.gz	FRRQVUDDAPNDFP-KWQFWETISA-N	0	0	198.331	3.310	10	0		AGAERN
Nc1ccc(F)cc1-c1ccsc1	83446657	573511491	/nfs/dbraw/zinc/51/14/91/573511491.db2.gz	UGPOXHHYGINTAY-UHFFFAOYSA-N	0	0	193.246	3.136	10	0		AGAERN
CCCC[C@@H](O)c1csc(C)c1	83448422	573511686	/nfs/dbraw/zinc/51/16/86/573511686.db2.gz	NHRCQIABANAZOQ-SNVBAGLBSA-N	0	0	184.304	3.280	10	0		AGAERN
CC[C@](O)(c1csc(C)c1)C1CC1	83448930	573511775	/nfs/dbraw/zinc/51/17/75/573511775.db2.gz	YXTVEXQJEVOMLD-LLVKDONJSA-N	0	0	196.315	3.064	10	0		AGAERN
Cc1cc(C(=O)C2CCCC2)cs1	83450035	573511805	/nfs/dbraw/zinc/51/18/05/573511805.db2.gz	PWKOACVRNMJUDW-UHFFFAOYSA-N	0	0	194.299	3.429	10	0		AGAERN
CC(C)(C)CC(=O)c1ccsc1	83450200	573511817	/nfs/dbraw/zinc/51/18/17/573511817.db2.gz	HVRFRKFPRWXMOA-UHFFFAOYSA-N	0	0	182.288	3.367	10	0		AGAERN
Cc1cc([C@H](O)CC(C)C)cs1	83448334	573512342	/nfs/dbraw/zinc/51/23/42/573512342.db2.gz	LTNQDYNKQNRHDE-SNVBAGLBSA-N	0	0	184.304	3.136	10	0		AGAERN
CC1=C(C)C(C)(C)[C@@H]([C@H](C)O)CC1	238423375	573512337	/nfs/dbraw/zinc/51/23/37/573512337.db2.gz	IOHABSGIDCZBMV-WDEREUQCSA-N	0	0	182.307	3.140	10	0		AGAERN
OC1(c2ccsc2)CCCCCC1	83447324	573512686	/nfs/dbraw/zinc/51/26/86/573512686.db2.gz	UGCFDBRGWPVUFB-UHFFFAOYSA-N	0	0	196.315	3.290	10	0		AGAERN
CC(C)(C)C[C@H](O)c1ccsc1	83448500	573512724	/nfs/dbraw/zinc/51/27/24/573512724.db2.gz	KWCYEVMXEZCIMA-VIFPVBQESA-N	0	0	184.304	3.218	10	0		AGAERN
Cc1cc([C@]2(O)CC[C@@H](C)C2)cs1	83448753	573512804	/nfs/dbraw/zinc/51/28/04/573512804.db2.gz	LTWZUWIAYIXROJ-KCJUWKMLSA-N	0	0	196.315	3.064	10	0		AGAERN
Cc1cc(C(=O)CC(C)C)cs1	83449987	573512819	/nfs/dbraw/zinc/51/28/19/573512819.db2.gz	YJGMUNQZXRGVEN-UHFFFAOYSA-N	0	0	182.288	3.285	10	0		AGAERN
COCNc1c(C)cccc1C(C)C	258723784	573512833	/nfs/dbraw/zinc/51/28/33/573512833.db2.gz	UITYPEKZGKBUTL-UHFFFAOYSA-N	0	0	193.290	3.134	10	0		AGAERN
CC[C@@](O)(c1csc(C)c1)C1CC1	83448926	573512928	/nfs/dbraw/zinc/51/29/28/573512928.db2.gz	YXTVEXQJEVOMLD-NSHDSACASA-N	0	0	196.315	3.064	10	0		AGAERN
CCCc1cc2ccc(O)cc2o1	224217207	573512968	/nfs/dbraw/zinc/51/29/68/573512968.db2.gz	BTONHPMNOIHCSS-UHFFFAOYSA-N	0	0	176.215	3.091	10	0		AGAERN
CC[C@H](C)[C@H](O)c1csc(C)c1	83448160	573513007	/nfs/dbraw/zinc/51/30/07/573513007.db2.gz	IIUHFQUAPIXYJG-XVKPBYJWSA-N	0	0	184.304	3.136	10	0		AGAERN
CC[C@@H]1CC[C@](O)(c2ccsc2)C1	83448794	573513095	/nfs/dbraw/zinc/51/30/95/573513095.db2.gz	DCSAOSQEXMSDSQ-MWLCHTKSSA-N	0	0	196.315	3.146	10	0		AGAERN
C[C@@H]1CCC[C@@H]2c3ccccc3N[C@H]12	238422995	573513108	/nfs/dbraw/zinc/51/31/08/573513108.db2.gz	CENUIBLMYNIFBA-IRUJWGPZSA-N	0	0	187.286	3.384	10	0		AGAERN
C[C@@H](O)C1(C(C)(C)C)CCCCC1	238422959	573513153	/nfs/dbraw/zinc/51/31/53/573513153.db2.gz	FAFZPRZNCODHBS-SNVBAGLBSA-N	0	0	184.323	3.364	10	0		AGAERN
CSc1cccc(C(C)(C)C)c1O	238423032	573513616	/nfs/dbraw/zinc/51/36/16/573513616.db2.gz	WYFIBIKKJMALEM-UHFFFAOYSA-N	0	0	196.315	3.412	10	0		AGAERN
Cc1cc([C@H]2CCC[C@@H](O)C2)cs1	83454079	573514951	/nfs/dbraw/zinc/51/49/51/573514951.db2.gz	COROPELOEVUJEZ-GXSJLCMTSA-N	0	0	196.315	3.075	10	0		AGAERN
CC(=O)C[C@H](C)c1csc(C)c1	83453431	573514980	/nfs/dbraw/zinc/51/49/80/573514980.db2.gz	VQEBABAFSHPHKJ-ZETCQYMHSA-N	0	0	182.288	3.139	10	0		AGAERN
CCC1CCC([C@H](C)OC(C)=O)CC1	33605229	573515130	/nfs/dbraw/zinc/51/51/30/573515130.db2.gz	APEMNGQHJIUHFD-GCVQQVDUSA-N	0	0	198.306	3.154	10	0		AGAERN
CC1=C(C)C(C)([C@@H](C)O)C(C)=C1C	238422985	573515196	/nfs/dbraw/zinc/51/51/96/573515196.db2.gz	RNGLZHZEEGDOHA-LLVKDONJSA-N	0	0	180.291	3.060	10	0		AGAERN
CC/C=C(/C)[C@H](O)c1ccccc1	224225078	573515292	/nfs/dbraw/zinc/51/52/92/573515292.db2.gz	ANDAZVSNUHFXNE-UMAGTOLTSA-N	0	0	176.259	3.076	10	0		AGAERN
CCCCC/C=C\[C@@H]1C=CC[C@@H]1CO	308605864	573515486	/nfs/dbraw/zinc/51/54/86/573515486.db2.gz	WKYQQSWRLUGTCL-YVNFWLBFSA-N	0	0	194.318	3.308	10	0		AGAERN
O[C@H]1CCCC[C@H](c2ccsc2)C1	83454099	573515496	/nfs/dbraw/zinc/51/54/96/573515496.db2.gz	UGFYUIVUFOXORE-ONGXEEELSA-N	0	0	196.315	3.157	10	0		AGAERN
C[C@H](O)[C@H]1CCC(C)(C)CC[C@@H]1C	238423253	573515501	/nfs/dbraw/zinc/51/55/01/573515501.db2.gz	ULLITIUVJHDSCW-DCAQKATOSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1cc([C@H]2CCCC(=O)C2)cs1	83453378	573515609	/nfs/dbraw/zinc/51/56/09/573515609.db2.gz	HMQMPURXEYLPHN-VIFPVBQESA-N	0	0	194.299	3.283	10	0		AGAERN
C[C@H]1CC[C@@H](C)N1/C(Cl)=C/Cl	224237825	573515616	/nfs/dbraw/zinc/51/56/16/573515616.db2.gz	YUFYMENZVFVKNJ-AMEJPUCISA-N	0	0	194.105	3.136	10	0		AGAERN
Cc1ccc(C)n1N[C@H](C)C(C)(C)C	686245994	573515860	/nfs/dbraw/zinc/51/58/60/573515860.db2.gz	ZCVFATTVUGAZJP-LLVKDONJSA-N	0	0	194.322	3.083	10	0		AGAERN
CCO[C@H](C)O[C@@H](C)c1ccccc1	33605376	573515867	/nfs/dbraw/zinc/51/58/67/573515867.db2.gz	VFIWVXFOXFCGOO-QWRGUYRKSA-N	0	0	194.274	3.147	10	0		AGAERN
C[C@@H](O)C/C=C/c1ccc(Cl)cc1	238422621	573515889	/nfs/dbraw/zinc/51/58/89/573515889.db2.gz	RYBYKIXIWILEDD-HDMKULJXSA-N	0	0	196.677	3.124	10	0		AGAERN
CC1=CCCC(C)(C)C1=C=C[C@H](C)O	238423361	573515923	/nfs/dbraw/zinc/51/59/23/573515923.db2.gz	BEIWSNQUQXDKPR-LYNSQETBSA-N	0	0	192.302	3.215	10	0		AGAERN
CC1=CC(C)(C)[C@@H]([C@H](C)O)CC1(C)C	238422818	573516058	/nfs/dbraw/zinc/51/60/58/573516058.db2.gz	RWMIGWRJHGJHHN-WDEREUQCSA-N	0	0	196.334	3.386	10	0		AGAERN
O[C@@H]1CCCC[C@@H](c2ccsc2)C1	83454100	573516131	/nfs/dbraw/zinc/51/61/31/573516131.db2.gz	UGFYUIVUFOXORE-MWLCHTKSSA-N	0	0	196.315	3.157	10	0		AGAERN
Cc1cc(C(C)(C)C[C@H](C)O)cs1	83454140	573518237	/nfs/dbraw/zinc/51/82/37/573518237.db2.gz	DJSSPFOOJYRUAI-QMMMGPOBSA-N	0	0	198.331	3.105	10	0		AGAERN
CCCCC/C=C\[C@@H]1C=CC[C@H]1CO	308605859	573516229	/nfs/dbraw/zinc/51/62/29/573516229.db2.gz	WKYQQSWRLUGTCL-UWNIJABGSA-N	0	0	194.318	3.308	10	0		AGAERN
C[C@H](O)C=C=C1[C@@H](C)CCCC1(C)C	238423391	573516289	/nfs/dbraw/zinc/51/62/89/573516289.db2.gz	VBARPHBPSYVOFG-CSUXEGHOSA-N	0	0	194.318	3.295	10	0		AGAERN
Cc1cc([C@@H]2CCC[C@@H](O)C2)cs1	83454076	573516301	/nfs/dbraw/zinc/51/63/01/573516301.db2.gz	COROPELOEVUJEZ-MWLCHTKSSA-N	0	0	196.315	3.075	10	0		AGAERN
O[C@H](C[C@H]1C=CCCCCC1)C1CC1	388693386	573516313	/nfs/dbraw/zinc/51/63/13/573516313.db2.gz	MLHFYZFWNNVGOH-WCQYABFASA-N	0	0	194.318	3.284	10	0		AGAERN
Cc1cc([C@@H]2CCCCC2=O)cs1	83452728	573516366	/nfs/dbraw/zinc/51/63/66/573516366.db2.gz	ZVCZKAVYLRZNFK-JTQLQIEISA-N	0	0	194.299	3.283	10	0		AGAERN
O=C1CCCC[C@@H](c2ccsc2)C1	83453411	573516650	/nfs/dbraw/zinc/51/66/50/573516650.db2.gz	LOUQGYXOHJYYCF-SECBINFHSA-N	0	0	194.299	3.365	10	0		AGAERN
O=C1CCCCC[C@@H]1c1ccsc1	83452741	573516697	/nfs/dbraw/zinc/51/66/97/573516697.db2.gz	PSBPYNJWHVRHFW-SNVBAGLBSA-N	0	0	194.299	3.365	10	0		AGAERN
CCO[C@@H](C)O[C@@H](C)c1ccccc1	33605374	573516832	/nfs/dbraw/zinc/51/68/32/573516832.db2.gz	VFIWVXFOXFCGOO-WDEREUQCSA-N	0	0	194.274	3.147	10	0		AGAERN
CC(=O)c1cccc(C)c1C(C)C	33606037	573517064	/nfs/dbraw/zinc/51/70/64/573517064.db2.gz	UVZLBPXCXKYVQA-UHFFFAOYSA-N	0	0	176.259	3.321	10	0		AGAERN
O[C@@H]1CCCC[C@H](c2ccsc2)C1	83454102	573518273	/nfs/dbraw/zinc/51/82/73/573518273.db2.gz	UGFYUIVUFOXORE-GXSJLCMTSA-N	0	0	196.315	3.157	10	0		AGAERN
C[C@@]12CCC/C=C/C[C@H]1C(=O)CC2	238424133	573517317	/nfs/dbraw/zinc/51/73/17/573517317.db2.gz	CJNXEOMWZGAXHL-UCUMCXFZSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@H](O)[C@H]1CC[C@H](C(C)(C)C)CC1	238424552	573517347	/nfs/dbraw/zinc/51/73/47/573517347.db2.gz	FNBYRKVLUFZUKN-GARJFASQSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@@]12CCC=C[C@@]1(C)CC(=O)CC2	238424725	573517414	/nfs/dbraw/zinc/51/74/14/573517414.db2.gz	KBSAHKQSDHJXBL-RYUDHWBXSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@@H](O)C1=C(Cl)CCCCCC1	238423963	573517429	/nfs/dbraw/zinc/51/74/29/573517429.db2.gz	JJWCPSRYJRPRFZ-MRVPVSSYSA-N	0	0	188.698	3.214	10	0		AGAERN
Cc1cc([C@H]2CCCCC2=O)cs1	83452729	573517437	/nfs/dbraw/zinc/51/74/37/573517437.db2.gz	ZVCZKAVYLRZNFK-SNVBAGLBSA-N	0	0	194.299	3.283	10	0		AGAERN
CC[C@H](O)CCc1c(C)cccc1C	126343093	573517531	/nfs/dbraw/zinc/51/75/31/573517531.db2.gz	ZUNAERLLXVSERK-LBPRGKRZSA-N	0	0	192.302	3.007	10	0		AGAERN
CC(=O)CC(C)(C)c1ccsc1	83453438	573517561	/nfs/dbraw/zinc/51/75/61/573517561.db2.gz	WIQAJWNWZNHPMT-UHFFFAOYSA-N	0	0	182.288	3.005	10	0		AGAERN
O[C@H]1CCCC[C@@H](c2ccsc2)C1	83454097	573517589	/nfs/dbraw/zinc/51/75/89/573517589.db2.gz	UGFYUIVUFOXORE-KOLCDFICSA-N	0	0	196.315	3.157	10	0		AGAERN
CC/C=C(/C)[C@@H](O)c1ccccc1	224225132	573517636	/nfs/dbraw/zinc/51/76/36/573517636.db2.gz	ANDAZVSNUHFXNE-MQGYJPLLSA-N	0	0	176.259	3.076	10	0		AGAERN
CCCc1coc(N[C@H](C)C(C)C)n1	308603925	573517938	/nfs/dbraw/zinc/51/79/38/573517938.db2.gz	PAAJWNVMDZSSTF-SECBINFHSA-N	0	0	196.294	3.084	10	0		AGAERN
Cc1ccc(C)n1N[C@@H](C)C(C)(C)C	686245995	573518442	/nfs/dbraw/zinc/51/84/42/573518442.db2.gz	ZCVFATTVUGAZJP-NSHDSACASA-N	0	0	194.322	3.083	10	0		AGAERN
Cc1cc([C@H]2CCC(=O)[C@H]2C)cs1	83453481	573518026	/nfs/dbraw/zinc/51/80/26/573518026.db2.gz	JNVUIBRTKMDIGN-WPRPVWTQSA-N	0	0	194.299	3.139	10	0		AGAERN
Cc1cc([C@H]2CCC(=O)[C@@H]2C)cs1	83453472	573518068	/nfs/dbraw/zinc/51/80/68/573518068.db2.gz	JNVUIBRTKMDIGN-SCZZXKLOSA-N	0	0	194.299	3.139	10	0		AGAERN
Cc1cc([C@H]2CCC[C@H](O)C2)cs1	83454075	573518450	/nfs/dbraw/zinc/51/84/50/573518450.db2.gz	COROPELOEVUJEZ-ONGXEEELSA-N	0	0	196.315	3.075	10	0		AGAERN
C[C@H]([C@H](O)[C@@H]1C=CCCC1)C(C)(C)C	238423578	573518321	/nfs/dbraw/zinc/51/83/21/573518321.db2.gz	GJJRSVOVOJYMGP-UTUOFQBUSA-N	0	0	196.334	3.386	10	0		AGAERN
C[C@@H]1Nc2cc(Cl)ccc2S1	238424059	573518496	/nfs/dbraw/zinc/51/84/96/573518496.db2.gz	KSTXFNYCLPTHIZ-RXMQYKEDSA-N	0	0	185.679	3.204	10	0		AGAERN
Cc1cc(C)c(NC(=O)S)cc1C	258740677	573518525	/nfs/dbraw/zinc/51/85/25/573518525.db2.gz	SFXAQHLZHMBPEQ-UHFFFAOYSA-N	0	0	195.287	3.074	10	0		AGAERN
C[C@@]12CCC=C[C@@H]1CCCCC2=O	238424657	573519862	/nfs/dbraw/zinc/51/98/62/573519862.db2.gz	WAMQSFGZIUTWDP-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@@H](O)C12CCC(C(C)(C)C)(CC1)C2	238423401	573519975	/nfs/dbraw/zinc/51/99/75/573519975.db2.gz	VSYZRQWNXRHQIF-QFWMXSHPSA-N	0	0	196.334	3.364	10	0		AGAERN
CCO[C@H](C)O[C@H](C)c1ccccc1	33605380	573520018	/nfs/dbraw/zinc/52/00/18/573520018.db2.gz	VFIWVXFOXFCGOO-MNOVXSKESA-N	0	0	194.274	3.147	10	0		AGAERN
CCCCC[C@H](CO)CCCC	33609042	573520607	/nfs/dbraw/zinc/52/06/07/573520607.db2.gz	PPVGIYDGIOTKTB-LLVKDONJSA-N	0	0	172.312	3.365	10	0	in-vitro	AGAERN
C[C@H](O)C=C=C1[C@H](C)CCCC1(C)C	238423411	573521025	/nfs/dbraw/zinc/52/10/25/573521025.db2.gz	VBARPHBPSYVOFG-JROPRLTOSA-N	0	0	194.318	3.295	10	0		AGAERN
CC(C)=CCC[C@@H](C)OC(=O)C(C)C	33608434	573521076	/nfs/dbraw/zinc/52/10/76/573521076.db2.gz	CWJWFQLLHBGAOJ-LLVKDONJSA-N	0	0	198.306	3.321	10	0		AGAERN
COc1ccc2c(c1)[C@H](C)C[C@@H](C)N2	257826773	573521104	/nfs/dbraw/zinc/52/11/04/573521104.db2.gz	HPMQSGXVIKFUBO-RKDXNWHRSA-N	0	0	191.274	3.003	10	0		AGAERN
CC(C)=CCC[C@H](C)OC(=O)C(C)C	33608432	573521219	/nfs/dbraw/zinc/52/12/19/573521219.db2.gz	CWJWFQLLHBGAOJ-NSHDSACASA-N	0	0	198.306	3.321	10	0		AGAERN
C[C@H](O)[C@H]1CCCC2=C1CCCC2	238423718	573521299	/nfs/dbraw/zinc/52/12/99/573521299.db2.gz	OWSCBMSOPIIACR-GXSJLCMTSA-N	0	0	180.291	3.038	10	0		AGAERN
C[C@]12C=CCC[C@@]1(C)CCC(=O)C2	238424883	573523094	/nfs/dbraw/zinc/52/30/94/573523094.db2.gz	KBSAHKQSDHJXBL-NWDGAFQWSA-N	0	0	178.275	3.102	10	0		AGAERN
CCC(=O)O[C@H](C)CCC=C(C)C	33608430	573526028	/nfs/dbraw/zinc/52/60/28/573526028.db2.gz	QTQUCFACVUKEDR-SNVBAGLBSA-N	0	0	184.279	3.075	10	0		AGAERN
COc1ccc2c(c1)[C@H](C)C[C@H](C)N2	257826770	573524363	/nfs/dbraw/zinc/52/43/63/573524363.db2.gz	HPMQSGXVIKFUBO-BDAKNGLRSA-N	0	0	191.274	3.003	10	0		AGAERN
C[C@]12CC=CCC[C@H]1C(=O)CCC2	238425884	573524431	/nfs/dbraw/zinc/52/44/31/573524431.db2.gz	YLGVCBIUQMRWBA-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1nc(Cl)[nH]c1C1CCCCC1	258750120	573524488	/nfs/dbraw/zinc/52/44/88/573524488.db2.gz	RDNSKGDTGPXLHI-UHFFFAOYSA-N	0	0	198.697	3.419	10	0		AGAERN
Cc1cc(O)cc2c1CCC[C@H]2C	238426078	573524579	/nfs/dbraw/zinc/52/45/79/573524579.db2.gz	ZJWAVZDTZRXFNO-MRVPVSSYSA-N	0	0	176.259	3.140	10	0		AGAERN
CCC[C@@H](O)CC[C@H](C)C(C)C	238255535	573524629	/nfs/dbraw/zinc/52/46/29/573524629.db2.gz	SRHDYYLOXHPPCP-WDEREUQCSA-N	0	0	172.312	3.220	10	0		AGAERN
C[C@@H]1C[C@@H](C2CCCC2)CCC1=O	33610884	573524693	/nfs/dbraw/zinc/52/46/93/573524693.db2.gz	IBGOXTNJMGIEOB-KOLCDFICSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1ccc(C2CCCC2)c(N)c1	259486647	573524967	/nfs/dbraw/zinc/52/49/67/573524967.db2.gz	OZSNBTLTBUQHHH-UHFFFAOYSA-N	0	0	175.275	3.235	10	0		AGAERN
COc1ccc2c(c1)[C@@H](C)C[C@H](C)N2	257826772	573525227	/nfs/dbraw/zinc/52/52/27/573525227.db2.gz	HPMQSGXVIKFUBO-IUCAKERBSA-N	0	0	191.274	3.003	10	0		AGAERN
C[C@@H]1C=Cc2ccccc2[C@H](O)CC1	308612701	573525501	/nfs/dbraw/zinc/52/55/01/573525501.db2.gz	YYLYHEDSQVVROQ-ZWNOBZJWSA-N	0	0	188.270	3.163	10	0		AGAERN
CCCCCC[C@@H](O)Cc1ccoc1	130397720	573526185	/nfs/dbraw/zinc/52/61/85/573526185.db2.gz	WYAYMHQYQOLUJF-GFCCVEGCSA-N	0	0	196.290	3.153	10	0		AGAERN
Cc1c[nH]c([C@H]2CCC[C@@H](C)C2)n1	238425284	573526215	/nfs/dbraw/zinc/52/62/15/573526215.db2.gz	OZWDPRBKQIDCNT-SCZZXKLOSA-N	0	0	178.279	3.012	10	0		AGAERN
CCCCC[C@@H](CO)CCCC	33609040	573526374	/nfs/dbraw/zinc/52/63/74/573526374.db2.gz	PPVGIYDGIOTKTB-NSHDSACASA-N	0	0	172.312	3.365	10	0	in-vitro	AGAERN
C[C@H]1CCCC(C)(C)C1=C=C[C@@H](C)O	238425741	573526355	/nfs/dbraw/zinc/52/63/55/573526355.db2.gz	VBARPHBPSYVOFG-JCBFREDQSA-N	0	0	194.318	3.295	10	0		AGAERN
C=CC(=O)OC[C@@H](C)CCCCCC	33610841	573526370	/nfs/dbraw/zinc/52/63/70/573526370.db2.gz	VISWPKGUIWDFQG-NSHDSACASA-N	0	0	198.306	3.322	10	0		AGAERN
CSc1cccc(O)c1CC1CC1	238425488	573526394	/nfs/dbraw/zinc/52/63/94/573526394.db2.gz	XTFGTADAKKRXEE-UHFFFAOYSA-N	0	0	194.299	3.067	10	0		AGAERN
C[NH2+][C@@H](C)c1cc2c(C)cccc2o1	258052057	573530366	/nfs/dbraw/zinc/53/03/66/573530366.db2.gz	FRRSTGTVIKWJGE-VIFPVBQESA-N	0	0	189.258	3.022	10	0		AGAERN
CCCCC[C@H](O)CSCCC	83486867	573527511	/nfs/dbraw/zinc/52/75/11/573527511.db2.gz	MWOFUQCWDQOASM-JTQLQIEISA-N	0	0	190.352	3.071	10	0		AGAERN
Cc1ccc(O)c2c1[C@H](C)CCC2	238426303	573528191	/nfs/dbraw/zinc/52/81/91/573528191.db2.gz	OEDAXGFWMRSAMO-MRVPVSSYSA-N	0	0	176.259	3.140	10	0		AGAERN
CC[C@@]1(C)Nc2ccc(O)cc2[C@H]1C	258052267	573528930	/nfs/dbraw/zinc/52/89/30/573528930.db2.gz	FTOOTVWCLLNYQY-PRHODGIISA-N	0	0	191.274	3.090	10	0		AGAERN
Cc1cccc2c1C(C)(C)C[C@@H](C)N2	258058173	573529139	/nfs/dbraw/zinc/52/91/39/573529139.db2.gz	SGBHYSHZAOVPRT-SNVBAGLBSA-N	0	0	189.302	3.477	10	0		AGAERN
C[C@@H](CO)C1CCC(C(C)(C)C)CC1	33611141	573529232	/nfs/dbraw/zinc/52/92/32/573529232.db2.gz	OCNWZKPGWOZCDH-UNXYVOJBSA-N	0	0	198.350	3.467	10	0		AGAERN
c1ccc(N2CC3CC(C3)C23CC3)cc1	257827289	573529352	/nfs/dbraw/zinc/52/93/52/573529352.db2.gz	GATBREQFRLBILV-UHFFFAOYSA-N	0	0	199.297	3.065	10	0		AGAERN
C[C@H](CO)c1cccc(C(C)(C)C)c1	257827773	573529363	/nfs/dbraw/zinc/52/93/63/573529363.db2.gz	HXVUHMDXFNOPQO-SNVBAGLBSA-N	0	0	192.302	3.080	10	0		AGAERN
COCCCC=C1CCCCC1	33610790	573529367	/nfs/dbraw/zinc/52/93/67/573529367.db2.gz	VALMDEDTYYMWAS-UHFFFAOYSA-N	0	0	168.280	3.304	10	0		AGAERN
CC(C)c1ccccc1NC(=O)S	258759667	573529472	/nfs/dbraw/zinc/52/94/72/573529472.db2.gz	OVIQVEWISIMBAN-UHFFFAOYSA-N	0	0	195.287	3.272	10	0		AGAERN
C[NH2+][C@H](C)c1cc2c(C)cccc2o1	258052053	573529982	/nfs/dbraw/zinc/52/99/82/573529982.db2.gz	FRRSTGTVIKWJGE-SECBINFHSA-N	0	0	189.258	3.022	10	0		AGAERN
C[C@@H](CO)c1cccc(C(C)(C)C)c1	257827772	573530008	/nfs/dbraw/zinc/53/00/08/573530008.db2.gz	HXVUHMDXFNOPQO-JTQLQIEISA-N	0	0	192.302	3.080	10	0		AGAERN
CC[C@@]1(C)Nc2ccc(O)cc2[C@@H]1C	258052271	573530029	/nfs/dbraw/zinc/53/00/29/573530029.db2.gz	FTOOTVWCLLNYQY-QPUJVOFHSA-N	0	0	191.274	3.090	10	0		AGAERN
Cc1cccc2c1C(C)(C)C[C@H](C)N2	258058170	573531043	/nfs/dbraw/zinc/53/10/43/573531043.db2.gz	SGBHYSHZAOVPRT-JTQLQIEISA-N	0	0	189.302	3.477	10	0		AGAERN
CCCC[C@]1(O)CCC[C@H](C)C1	83502474	573531826	/nfs/dbraw/zinc/53/18/26/573531826.db2.gz	YIXFNZUAUQDYQP-QWRGUYRKSA-N	0	0	170.296	3.118	10	0		AGAERN
Cc1ccc2cc(C=O)n(C3CC3)c2c1	258052446	573531843	/nfs/dbraw/zinc/53/18/43/573531843.db2.gz	KCBGVNHNUNZICA-UHFFFAOYSA-N	0	0	199.253	3.097	10	0		AGAERN
CCCC[C@@]1(O)CCC[C@@H](C)C1	83502477	573532785	/nfs/dbraw/zinc/53/27/85/573532785.db2.gz	YIXFNZUAUQDYQP-GHMZBOCLSA-N	0	0	170.296	3.118	10	0		AGAERN
CCCC[C@@]1(O)CCCC[C@@H]1C	83502664	573532880	/nfs/dbraw/zinc/53/28/80/573532880.db2.gz	AFSACNOVRUUHRN-WDEREUQCSA-N	0	0	170.296	3.118	10	0		AGAERN
CCCC[C@]1(O)CCC[C@@H](C)C1	83502476	573532903	/nfs/dbraw/zinc/53/29/03/573532903.db2.gz	YIXFNZUAUQDYQP-MNOVXSKESA-N	0	0	170.296	3.118	10	0		AGAERN
C[C@H](c1ccccc1)c1cc[nH]c1	238430176	573532912	/nfs/dbraw/zinc/53/29/12/573532912.db2.gz	VHCWMWISPUMBCA-SNVBAGLBSA-N	0	0	171.243	3.167	10	0		AGAERN
CCCC[C@]1(O)CCc2ccccc21	83502836	573533017	/nfs/dbraw/zinc/53/30/17/573533017.db2.gz	FVKYAWJMHZQQOI-ZDUSSCGKSA-N	0	0	190.286	3.011	10	0		AGAERN
C[C@H](CO)c1ccccc1C(C)(C)C	257828384	573535260	/nfs/dbraw/zinc/53/52/60/573535260.db2.gz	IKRRKUCHYPWNMO-SNVBAGLBSA-N	0	0	192.302	3.080	10	0		AGAERN
CCCC[C@@]1(O)CCC[C@H](C)C1	83502475	573533079	/nfs/dbraw/zinc/53/30/79/573533079.db2.gz	YIXFNZUAUQDYQP-WDEREUQCSA-N	0	0	170.296	3.118	10	0		AGAERN
CC(C)CC[C@@]1(O)CCC[C@H](C)C1	83502527	573533086	/nfs/dbraw/zinc/53/30/86/573533086.db2.gz	HRJLHIOWROTNEH-RYUDHWBXSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@H]1CC=CC[C@@]12CCCCC2=O	238429766	573533154	/nfs/dbraw/zinc/53/31/54/573533154.db2.gz	SRWMXTQQCZHAJI-ZYHUDNBSSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1cccc(C)c1CCC[C@H](C)O	126420128	573533179	/nfs/dbraw/zinc/53/31/79/573533179.db2.gz	HUVCLTGEYBSPHK-LBPRGKRZSA-N	0	0	192.302	3.007	10	0		AGAERN
CC[C@@H](C)CC1(O)CCCCC1	83502449	573533535	/nfs/dbraw/zinc/53/35/35/573533535.db2.gz	FAGSYVNRTDSCCP-SNVBAGLBSA-N	0	0	170.296	3.118	10	0		AGAERN
CC(C)c1nc(N)oc1C1CCCC1	258501845	573533559	/nfs/dbraw/zinc/53/35/59/573533559.db2.gz	DKBZJWKRSOSREH-UHFFFAOYSA-N	0	0	194.278	3.038	10	0		AGAERN
CC(C)(C)CCC1(O)CCCC1	83502770	573533595	/nfs/dbraw/zinc/53/35/95/573533595.db2.gz	BLBZEAAHYBYUBX-UHFFFAOYSA-N	0	0	170.296	3.118	10	0		AGAERN
CCCC[C@]1(CC)CCC(=O)C1	238255887	573534109	/nfs/dbraw/zinc/53/41/09/573534109.db2.gz	UVEVUUYGMPAHRD-LLVKDONJSA-N	0	0	168.280	3.326	10	0		AGAERN
CC(C)CCC1(O)CCC(C)CC1	83502584	573534050	/nfs/dbraw/zinc/53/40/50/573534050.db2.gz	BGLRVWJNSNKISY-UHFFFAOYSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)c1cc(F)cc([C@@H](C)CO)c1	258053512	573534239	/nfs/dbraw/zinc/53/42/39/573534239.db2.gz	KRDCHACVXCQONR-VIFPVBQESA-N	0	0	196.265	3.045	10	0		AGAERN
CC(C)CC[C@@]1(O)CCCC[C@H]1C	83502715	573534363	/nfs/dbraw/zinc/53/43/63/573534363.db2.gz	OXSRQFOFDCSVQP-NEPJUHHUSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)CC[C@@]1(O)CCCC[C@@H]1C	83502716	573534391	/nfs/dbraw/zinc/53/43/91/573534391.db2.gz	OXSRQFOFDCSVQP-RYUDHWBXSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@@]1(O)CCc2ccccc21	83502837	573534511	/nfs/dbraw/zinc/53/45/11/573534511.db2.gz	FVKYAWJMHZQQOI-CYBMUJFWSA-N	0	0	190.286	3.011	10	0		AGAERN
CC[C@H](C)C[C@@]1(O)CCC[C@H](C)C1	83502541	573534518	/nfs/dbraw/zinc/53/45/18/573534518.db2.gz	ZACZEOMCIMVEJC-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1cc(N)ccc1CSC(C)C	258054535	573534662	/nfs/dbraw/zinc/53/46/62/573534662.db2.gz	FYDUMGGZRMPAFC-UHFFFAOYSA-N	0	0	195.331	3.219	10	0		AGAERN
C[C@@H](CO)c1ccccc1C(C)(C)C	257828383	573534672	/nfs/dbraw/zinc/53/46/72/573534672.db2.gz	IKRRKUCHYPWNMO-JTQLQIEISA-N	0	0	192.302	3.080	10	0		AGAERN
CC[C@@H](C)C[C@@](O)(CC)C(C)C	83503751	573534743	/nfs/dbraw/zinc/53/47/43/573534743.db2.gz	AHLNXVVVEFFSCC-MNOVXSKESA-N	0	0	172.312	3.220	10	0		AGAERN
CCCCC1(O)CCC(C)CC1	83502571	573534810	/nfs/dbraw/zinc/53/48/10/573534810.db2.gz	YYHNQNPNBUWAJZ-UHFFFAOYSA-N	0	0	170.296	3.118	10	0		AGAERN
Cc1ccc(O)c2c1[C@H](C)CC=C2	238431372	573534837	/nfs/dbraw/zinc/53/48/37/573534837.db2.gz	DTOKOMZMRZRVIP-MRVPVSSYSA-N	0	0	174.243	3.221	10	0		AGAERN
Cc1sc(N)nc1CCCC(C)C	258760471	573534857	/nfs/dbraw/zinc/53/48/57/573534857.db2.gz	KNHOHYLZDHBYSX-UHFFFAOYSA-N	0	0	198.335	3.012	10	0		AGAERN
CC[C@H](C)CC1(O)CCC(C)CC1	83502588	573534996	/nfs/dbraw/zinc/53/49/96/573534996.db2.gz	MMJFIDCRXGZHTF-UNXYVOJBSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)C[C@@]1(O)CCCC[C@@H]1C	83502730	573535016	/nfs/dbraw/zinc/53/50/16/573535016.db2.gz	WRSOVHSRAHNCDM-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H](C=C(F)F)[C@@H](O)c1ccccc1	238434080	573535147	/nfs/dbraw/zinc/53/51/47/573535147.db2.gz	VBKKFBZMDFMBIA-LDYMZIIASA-N	0	0	198.212	3.137	10	0		AGAERN
CC(C)=C[C@@H](C)[C@H](O)c1ccccc1	238433929	573535167	/nfs/dbraw/zinc/53/51/67/573535167.db2.gz	GUAPZHHFNBWAJR-YPMHNXCESA-N	0	0	190.286	3.322	10	0		AGAERN
C[C@H](O)[C@@]12CCCC=C1CCCC2	238430715	573536096	/nfs/dbraw/zinc/53/60/96/573536096.db2.gz	RHCFOPXAVBWDDU-JQWIXIFHSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(C)CC[C@]1(O)CCC[C@H](C)C1	83502529	573535850	/nfs/dbraw/zinc/53/58/50/573535850.db2.gz	HRJLHIOWROTNEH-NWDGAFQWSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](CO)[C@@H](C)/C=C/C(C)(C)C	220582780	573535901	/nfs/dbraw/zinc/53/59/01/573535901.db2.gz	OGRJTCKRJLNYBS-IAYMVZNDSA-N	0	0	184.323	3.243	10	0		AGAERN
CC(C)c1cc(F)cc([C@H](C)CO)c1	258053507	573535958	/nfs/dbraw/zinc/53/59/58/573535958.db2.gz	KRDCHACVXCQONR-SECBINFHSA-N	0	0	196.265	3.045	10	0		AGAERN
C[C@H](c1ccccc1N)C(C)(C)C	238430604	573536018	/nfs/dbraw/zinc/53/60/18/573536018.db2.gz	KRQXXQJDYNIYNW-SECBINFHSA-N	0	0	177.291	3.418	10	0		AGAERN
C[C@H]1CC[C@@](O)(CC2CCCC2)C1	83506866	573538358	/nfs/dbraw/zinc/53/83/58/573538358.db2.gz	OSAZDOIUOKQMOE-JQWIXIFHSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@H]1CC[C@@](O)(CCC(C)(C)C)C1	83506786	573538380	/nfs/dbraw/zinc/53/83/80/573538380.db2.gz	FIMWQCWECCPWJG-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H](c1ccco1)c1ccccc1N	238430848	573538406	/nfs/dbraw/zinc/53/84/06/573538406.db2.gz	KSNBWFSZVIVLRT-VIFPVBQESA-N	0	0	187.242	3.014	10	0		AGAERN
C[C@@H]1CC[C@@](O)(CCC(C)(C)C)C1	83506785	573538430	/nfs/dbraw/zinc/53/84/30/573538430.db2.gz	FIMWQCWECCPWJG-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCCC1(O)C[C@H](C)C[C@@H](C)C1	83507025	573538436	/nfs/dbraw/zinc/53/84/36/573538436.db2.gz	IICDTEZFYJRQAL-GHMZBOCLSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)=C[C@@H](C)[C@@H](O)c1ccccc1	238433795	573538495	/nfs/dbraw/zinc/53/84/95/573538495.db2.gz	GUAPZHHFNBWAJR-DGCLKSJQSA-N	0	0	190.286	3.322	10	0		AGAERN
C[C@H](C=C(F)F)[C@H](O)c1ccccc1	238434099	573538535	/nfs/dbraw/zinc/53/85/35/573538535.db2.gz	VBKKFBZMDFMBIA-KCJUWKMLSA-N	0	0	198.212	3.137	10	0		AGAERN
CCC[C@@H](C)Oc1cccc(NC)c1	308617662	573538610	/nfs/dbraw/zinc/53/86/10/573538610.db2.gz	SFNNPPVLRNPVJC-SNVBAGLBSA-N	0	0	193.290	3.296	10	0		AGAERN
C/C(=C/c1ccccc1)[C@H](C)CCO	308617137	573538690	/nfs/dbraw/zinc/53/86/90/573538690.db2.gz	AWVMARVOEPNISO-JPQYHBGPSA-N	0	0	190.286	3.108	10	0		AGAERN
CCC/C=C(\F)[C@H](O)c1ccccc1	308617305	573540087	/nfs/dbraw/zinc/54/00/87/573540087.db2.gz	BFZXIOZNJHHYIP-UCQJPZFISA-N	0	0	194.249	3.374	10	0		AGAERN
Fc1cc2[nH]ccc2c(F)c1Cl	107348610	573539095	/nfs/dbraw/zinc/53/90/95/573539095.db2.gz	ANBOUOFHWJFXHX-UHFFFAOYSA-N	0	0	187.576	3.100	10	0		AGAERN
C/C(=C/CC[C@H](C)CC(C)C)CO	213299851	573539115	/nfs/dbraw/zinc/53/91/15/573539115.db2.gz	PWQFSNDNFWFBOK-ZWIPKHHJSA-N	0	0	184.323	3.387	10	0		AGAERN
Cc1[nH]c(Cl)nc1-c1ccccc1	78591706	573540106	/nfs/dbraw/zinc/54/01/06/573540106.db2.gz	ONCQJLHEAVCLIJ-UHFFFAOYSA-N	0	0	192.649	3.039	10	0		AGAERN
CC[C@H](C)CNc1nc(C)c(C)s1	83532899	573539558	/nfs/dbraw/zinc/53/95/58/573539558.db2.gz	AYKJJSFIMFFAIC-ZETCQYMHSA-N	0	0	198.335	3.218	10	0		AGAERN
CCn1nc(Cl)c2cccc(C)c21	257829679	573539645	/nfs/dbraw/zinc/53/96/45/573539645.db2.gz	ISXNSHZUSBQNOO-UHFFFAOYSA-N	0	0	194.665	3.018	10	0		AGAERN
Cc1ccc([C@@H](C)F)cc1[C@H](C)CO	258056482	573540022	/nfs/dbraw/zinc/54/00/22/573540022.db2.gz	LCYPFLSYIKIRFX-NXEZZACHSA-N	0	0	196.265	3.121	10	0		AGAERN
CCCCC/C=C/C=C\[C@@H]1C[C@H]1CO	308615967	573540238	/nfs/dbraw/zinc/54/02/38/573540238.db2.gz	AEZFMHWQNOQKPK-XDEZDVPHSA-N	0	0	194.318	3.308	10	0		AGAERN
CCCCC1=C2CCC[C@@H]2C[C@H]1CO	39112409	573540799	/nfs/dbraw/zinc/54/07/99/573540799.db2.gz	GTMAKBDZEASVDE-MNOVXSKESA-N	0	0	194.318	3.286	10	0		AGAERN
CCCCC[C@H]1C[C@H]1C[C@@H]1C[C@@H]1CO	144559899	573540407	/nfs/dbraw/zinc/54/04/07/573540407.db2.gz	PYBFUGOCMLBEOG-WUHRBBMRSA-N	0	0	196.334	3.221	10	0		AGAERN
CCC/C=C(\F)[C@@H](O)c1ccccc1	308617302	573540547	/nfs/dbraw/zinc/54/05/47/573540547.db2.gz	BFZXIOZNJHHYIP-MMRAYRKESA-N	0	0	194.249	3.374	10	0		AGAERN
C[C@H](O)CC[C@@H]1CC[C@@H](C)C[C@@H]1C	238434865	573540599	/nfs/dbraw/zinc/54/05/99/573540599.db2.gz	BKSJOBLYTLBKAI-RHYQMDGZSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1ccc(C)c([C@H](C)[C@H](C)CO)c1	238435477	573541460	/nfs/dbraw/zinc/54/14/60/573541460.db2.gz	LIBYUULNRNKHEY-VXGBXAGGSA-N	0	0	192.302	3.035	10	0		AGAERN
C[C@H]1c2ccc(O)cc2C(C)(C)[C@@H]1C	238435439	573540906	/nfs/dbraw/zinc/54/09/06/573540906.db2.gz	GZLBBWRGVQPPCK-RKDXNWHRSA-N	0	0	190.286	3.423	10	0		AGAERN
CC1=C[C@H](C)[C@@]2(CCC[C@@]2(C)O)CC1	39112433	573541060	/nfs/dbraw/zinc/54/10/60/573541060.db2.gz	SKKHYMJJTMOMNK-YNEHKIRRSA-N	0	0	194.318	3.284	10	0		AGAERN
CC1=C[C@H](C)C[C@]2(CCC[C@@]2(C)O)C1	39112424	573541105	/nfs/dbraw/zinc/54/11/05/573541105.db2.gz	FMRMXDPSTPRFFD-CYZMBNFOSA-N	0	0	194.318	3.284	10	0		AGAERN
Cc1ccc([C@@H](C)F)cc1[C@@H](C)CO	258056496	573541106	/nfs/dbraw/zinc/54/11/06/573541106.db2.gz	LCYPFLSYIKIRFX-VHSXEESVSA-N	0	0	196.265	3.121	10	0		AGAERN
CC1=C[C@H](C)C[C@@]2(CCC[C@@]2(C)O)C1	39112422	573541314	/nfs/dbraw/zinc/54/13/14/573541314.db2.gz	FMRMXDPSTPRFFD-UHTWSYAYSA-N	0	0	194.318	3.284	10	0		AGAERN
CCCCC1=C2CCC[C@@H]2C[C@@H]1CO	39112407	573541391	/nfs/dbraw/zinc/54/13/91/573541391.db2.gz	GTMAKBDZEASVDE-GHMZBOCLSA-N	0	0	194.318	3.286	10	0		AGAERN
CC/C(=C(\C)CCO)c1ccccc1	308617928	573541397	/nfs/dbraw/zinc/54/13/97/573541397.db2.gz	BMHAWSNBYKNDQG-QBFSEMIESA-N	0	0	190.286	3.253	10	0		AGAERN
CC(/C=C/c1ccccc1)=C\[C@H](C)O	308617341	573541406	/nfs/dbraw/zinc/54/14/06/573541406.db2.gz	BIMKMIFZZBONDF-LTLIQVKPSA-N	0	0	188.270	3.027	10	0		AGAERN
C/C(=C/c1ccccc1)[C@@H](C)CCO	308617141	573541836	/nfs/dbraw/zinc/54/18/36/573541836.db2.gz	AWVMARVOEPNISO-NIANNCQZSA-N	0	0	190.286	3.108	10	0		AGAERN
Fc1c(Cl)cc(F)c2[nH]ccc12	107348608	573543358	/nfs/dbraw/zinc/54/33/58/573543358.db2.gz	DADRNCJQLMDXIS-UHFFFAOYSA-N	0	0	187.576	3.100	10	0		AGAERN
Cc1ccc([C@H](C)[C@H](C)CO)c(C)c1	238435497	573543018	/nfs/dbraw/zinc/54/30/18/573543018.db2.gz	CJVNOJWFQFUOSN-VXGBXAGGSA-N	0	0	192.302	3.035	10	0		AGAERN
COCc1cc(C(C)C)ccc1C	259500471	573543908	/nfs/dbraw/zinc/54/39/08/573543908.db2.gz	UKFRLRTZIJUSGF-UHFFFAOYSA-N	0	0	178.275	3.265	10	0		AGAERN
CC(C)C/C=C/[C@@H](O)c1ccccc1	308626311	573545540	/nfs/dbraw/zinc/54/55/40/573545540.db2.gz	MGODMOYPASBNHO-BCRSCGJKSA-N	0	0	190.286	3.322	10	0		AGAERN
CCCCC1=C2CCC[C@H]2C[C@@H]1CO	39112408	573545190	/nfs/dbraw/zinc/54/51/90/573545190.db2.gz	GTMAKBDZEASVDE-WDEREUQCSA-N	0	0	194.318	3.286	10	0		AGAERN
CC(C)n1ccc2nccc(Cl)c21	258056886	573545199	/nfs/dbraw/zinc/54/51/99/573545199.db2.gz	KJPRDPUWKVTBCT-UHFFFAOYSA-N	0	0	194.665	3.271	10	0		AGAERN
CCC[C@H](C(=O)CC)[C@H](C)CC	238264043	573545207	/nfs/dbraw/zinc/54/52/07/573545207.db2.gz	DAOCUFWDJSEBRI-ZJUUUORDSA-N	0	0	170.296	3.428	10	0		AGAERN
CC(=O)c1cccc2c1[C@H](C)[C@H]2C	238436576	573545458	/nfs/dbraw/zinc/54/54/58/573545458.db2.gz	GKBKAAGQSVOEDO-HTQZYQBOSA-N	0	0	174.243	3.110	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1C1=C[C@H](O)CC1	83548711	573545715	/nfs/dbraw/zinc/54/57/15/573545715.db2.gz	FDPZCWANEVVKFW-RTXFEEFZSA-N	0	0	194.318	3.284	10	0		AGAERN
CC[C@@H](C[C@H](C)CC)Nc1c[nH]cn1	308618921	573545801	/nfs/dbraw/zinc/54/58/01/573545801.db2.gz	SLOBJOMIZFRXQL-ZJUUUORDSA-N	0	0	195.310	3.036	10	0		AGAERN
CC[C@@H]1CCC[C@H](C2=C[C@H](O)CC2)C1	83549140	573546940	/nfs/dbraw/zinc/54/69/40/573546940.db2.gz	CILRUHAJDJMXRZ-NTZNESFSSA-N	0	0	194.318	3.284	10	0		AGAERN
CC(=O)c1[nH]c2ccccc2c1Cl	107358223	573547045	/nfs/dbraw/zinc/54/70/45/573547045.db2.gz	CRIOPZUCJOSURZ-UHFFFAOYSA-N	0	0	193.633	3.024	10	0		AGAERN
C[C@H](O)c1cc(Cl)c(Cl)s1	238436129	573547067	/nfs/dbraw/zinc/54/70/67/573547067.db2.gz	FVWIIMFXYCRBCQ-VKHMYHEASA-N	0	0	197.086	3.108	10	0		AGAERN
CCC/C=C\[C@@H](O)c1ccc(C)cc1	308626654	573547179	/nfs/dbraw/zinc/54/71/79/573547179.db2.gz	MZAQEACLDOBIMZ-CFHLNLSMSA-N	0	0	190.286	3.385	10	0		AGAERN
CCC1CCCCCC1	95634897	573547442	/nfs/dbraw/zinc/54/74/42/573547442.db2.gz	BKSZTRQYJBBCJS-UHFFFAOYSA-N	0	0	125.235	3.181	10	0		AGAERN
CCc1cnc(Cl)c(C(F)F)c1	257826224	573547448	/nfs/dbraw/zinc/54/74/48/573547448.db2.gz	HLYNYOBGGQKPCK-UHFFFAOYSA-N	0	0	191.608	3.235	10	0		AGAERN
Cc1ccc([C@@H](C)[C@H](C)CO)c(C)c1	238436871	573551954	/nfs/dbraw/zinc/55/19/54/573551954.db2.gz	CJVNOJWFQFUOSN-NEPJUHHUSA-N	0	0	192.302	3.035	10	0		AGAERN
CC[C@@H](C)Nc1cccc(C(C)=O)c1	86662617	573547741	/nfs/dbraw/zinc/54/77/41/573547741.db2.gz	UCPZTYMEFFNBAV-SECBINFHSA-N	0	0	191.274	3.100	10	0		AGAERN
CC[C@H](C)C[C@H](CC)Nc1c[nH]cn1	308618919	573547850	/nfs/dbraw/zinc/54/78/50/573547850.db2.gz	SLOBJOMIZFRXQL-UWVGGRQHSA-N	0	0	195.310	3.036	10	0		AGAERN
CC[C@H]1CCNc2ccc(OC)cc21	257825843	573547926	/nfs/dbraw/zinc/54/79/26/573547926.db2.gz	HJTWACMZFCXFPI-VIFPVBQESA-N	0	0	191.274	3.004	10	0		AGAERN
CCC[C@H](O)[C@@H](CC)Cc1ccco1	238263326	573547965	/nfs/dbraw/zinc/54/79/65/573547965.db2.gz	LFXWQPHYFHNCKQ-JQWIXIFHSA-N	0	0	196.290	3.009	10	0		AGAERN
C[C@H]1CC(C2=C[C@H](O)CC2)C[C@H](C)C1	83548652	573548199	/nfs/dbraw/zinc/54/81/99/573548199.db2.gz	XAXGYJQQOSSWIK-GIPNMCIBSA-N	0	0	194.318	3.140	10	0		AGAERN
CCC1CCC(C2=C[C@@H](O)CC2)CC1	83548854	573549044	/nfs/dbraw/zinc/54/90/44/573549044.db2.gz	KWLXEBBQADBNJG-XIVSLSHWSA-N	0	0	194.318	3.284	10	0		AGAERN
CC(=O)c1oc2ccccc2c1Cl	107360686	573548631	/nfs/dbraw/zinc/54/86/31/573548631.db2.gz	GBFLNFGEOHNKSR-UHFFFAOYSA-N	0	0	194.617	3.289	10	0		AGAERN
CCC/C=C(\CCO)c1ccccc1	308627910	573548955	/nfs/dbraw/zinc/54/89/55/573548955.db2.gz	PONYIOGHLIESGN-NTUHNPAUSA-N	0	0	190.286	3.253	10	0		AGAERN
CC[C@@H]1CCC[C@H]1CCC(C)=O	238262820	573550312	/nfs/dbraw/zinc/55/03/12/573550312.db2.gz	DJQMBISQUFVJPO-MNOVXSKESA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@H](O)[C@H](C)CC=C(C)C	238264354	573550536	/nfs/dbraw/zinc/55/05/36/573550536.db2.gz	HMIZMZRGPSWABK-MNOVXSKESA-N	0	0	170.296	3.140	10	0		AGAERN
CC(C)[C@@H]1CCC[C@H]([C@H](C)CCO)C1	308630021	573550682	/nfs/dbraw/zinc/55/06/82/573550682.db2.gz	SUZRZZHACAAUKZ-UPJWGTAASA-N	0	0	198.350	3.467	10	0		AGAERN
CC1=C(C)CC(=O)C[C@H](C)CC1	238437334	573550881	/nfs/dbraw/zinc/55/08/81/573550881.db2.gz	XFHZWQCMCRCWSN-MRVPVSSYSA-N	0	0	166.264	3.102	10	0		AGAERN
CC[C@@H]1CCNc2ccc(OC)cc21	257825842	573550897	/nfs/dbraw/zinc/55/08/97/573550897.db2.gz	HJTWACMZFCXFPI-SECBINFHSA-N	0	0	191.274	3.004	10	0		AGAERN
Cc1ccc(C)c([C@@H](C)[C@H](C)CO)c1	238436847	573550983	/nfs/dbraw/zinc/55/09/83/573550983.db2.gz	LIBYUULNRNKHEY-NEPJUHHUSA-N	0	0	192.302	3.035	10	0		AGAERN
CC/C=C(/c1ccccc1)[C@@H](O)CC	308629948	573551026	/nfs/dbraw/zinc/55/10/26/573551026.db2.gz	SIEFJYHARNXJPG-FSBNRTBOSA-N	0	0	190.286	3.251	10	0		AGAERN
C[C@@H]1CC[C@@H](C2CCCCC2)[C@@H](O)C1	238436980	573551033	/nfs/dbraw/zinc/55/10/33/573551033.db2.gz	ISUDSPOVXGVNCQ-WXHSDQCUSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC/C(=C\c1ccccc1)CCO	308629088	573551996	/nfs/dbraw/zinc/55/19/96/573551996.db2.gz	RAAXAFUWTWZLKW-VAWYXSNFSA-N	0	0	190.286	3.253	10	0		AGAERN
COC(=O)CC[C@@H]1CCCC(C)(C)C1	259502287	573552033	/nfs/dbraw/zinc/55/20/33/573552033.db2.gz	AYKJCKRCLKVGDI-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
C/C(CCCC(C)C)=C(\F)CO	223255614	573552094	/nfs/dbraw/zinc/55/20/94/573552094.db2.gz	SPUMJUSMCWCIIS-MDZDMXLPSA-N	0	0	174.259	3.049	10	0		AGAERN
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1c1ccccc1N	238437219	573552132	/nfs/dbraw/zinc/55/21/32/573552132.db2.gz	VBINOHPLSCVFTG-KLHWPWHYSA-N	0	0	187.286	3.028	10	0		AGAERN
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2C	238436881	573552338	/nfs/dbraw/zinc/55/23/38/573552338.db2.gz	RAZOOPPBJREFIS-IUCAKERBSA-N	0	0	176.259	3.311	10	0		AGAERN
COC(=O)CC[C@H]1CCCC(C)(C)C1	259502289	573552498	/nfs/dbraw/zinc/55/24/98/573552498.db2.gz	AYKJCKRCLKVGDI-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
C/C=C\CC1=C(C)[C@H](O)CCC1(C)C	308628636	573552562	/nfs/dbraw/zinc/55/25/62/573552562.db2.gz	QMYLUWWDZIKROG-FOQNGQEVSA-N	0	0	194.318	3.450	10	0		AGAERN
C[C@@H]1CC[C@@H](C)c2ccccc2N1	238436893	573552605	/nfs/dbraw/zinc/55/26/05/573552605.db2.gz	HTDWFEOOMAUIPB-NXEZZACHSA-N	0	0	175.275	3.384	10	0		AGAERN
CCc1c[nH]cc1Cc1ccccc1	197041763	573552617	/nfs/dbraw/zinc/55/26/17/573552617.db2.gz	BTCFZMJSYVLOOY-UHFFFAOYSA-N	0	0	185.270	3.168	10	0		AGAERN
CC/C=C(/c1ccccc1)[C@H](O)CC	308629949	573552708	/nfs/dbraw/zinc/55/27/08/573552708.db2.gz	SIEFJYHARNXJPG-LLBKUYECSA-N	0	0	190.286	3.251	10	0		AGAERN
CC[C@@H](O)/C=C/C=C\c1ccccc1	308630004	573552765	/nfs/dbraw/zinc/55/27/65/573552765.db2.gz	SQFNSYRCTFMJHH-FDECMTRCSA-N	0	0	188.270	3.027	10	0		AGAERN
CC(C)[C@@H]1CCC[C@@H]([C@H](C)CCO)C1	308630020	573552843	/nfs/dbraw/zinc/55/28/43/573552843.db2.gz	SUZRZZHACAAUKZ-JHJVBQTASA-N	0	0	198.350	3.467	10	0		AGAERN
C/C=C(/c1ccccc1)[C@H](O)C(C)C	308629078	573552938	/nfs/dbraw/zinc/55/29/38/573552938.db2.gz	QYFYMGAKRPLRSQ-TWEXNZEWSA-N	0	0	190.286	3.107	10	0		AGAERN
C=C/C=C\CC1CCCC1	144894226	573553216	/nfs/dbraw/zinc/55/32/16/573553216.db2.gz	CTNMXDQTEFULJW-ARJAWSKDSA-N	0	0	136.238	3.309	10	0		AGAERN
C/C=C\CC1=C(C)[C@@H](O)CCC1(C)C	308628635	573553435	/nfs/dbraw/zinc/55/34/35/573553435.db2.gz	QMYLUWWDZIKROG-FJOGCWAESA-N	0	0	194.318	3.450	10	0		AGAERN
Cc1c(N)cc2ccsc2c1C	75397100	573553566	/nfs/dbraw/zinc/55/35/66/573553566.db2.gz	DYNOAIBSCPCGKU-UHFFFAOYSA-N	0	0	177.272	3.100	10	0		AGAERN
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1c1sccc1N	238437240	573553736	/nfs/dbraw/zinc/55/37/36/573553736.db2.gz	WCRIWRGHBYIFME-XGEHTFHBSA-N	0	0	193.315	3.090	10	0		AGAERN
Nc1ccc2sccc2c1Cl	75397093	573553846	/nfs/dbraw/zinc/55/38/46/573553846.db2.gz	NXRPKCSPQZWBEM-UHFFFAOYSA-N	0	0	183.663	3.137	10	0		AGAERN
C[C@H](O)/C=C/C=C\C1=CCCCCC1	308627742	573553924	/nfs/dbraw/zinc/55/39/24/573553924.db2.gz	PASIFRBDXLCRMZ-BQYMTDNJSA-N	0	0	192.302	3.370	10	0		AGAERN
CC/C(F)=C(\F)[C@H](O)c1ccccc1	308629523	573553969	/nfs/dbraw/zinc/55/39/69/573553969.db2.gz	RYMASYFTROWSKM-PBQZMEPESA-N	0	0	198.212	3.281	10	0		AGAERN
Cc1cc([C@H]2C[C@H]2C)cc(C)c1N	238437315	573553993	/nfs/dbraw/zinc/55/39/93/573553993.db2.gz	FHUHSYNESNYIHI-HQJQHLMTSA-N	0	0	175.275	3.009	10	0		AGAERN
CC(C)c1ccc(O)cc1CC1CC1	95710517	573554115	/nfs/dbraw/zinc/55/41/15/573554115.db2.gz	QRAZNZKCSOSXMF-UHFFFAOYSA-N	0	0	190.286	3.468	10	0		AGAERN
CCC[C@@H](C(=O)CC)[C@H](C)CC	238269377	573554154	/nfs/dbraw/zinc/55/41/54/573554154.db2.gz	DAOCUFWDJSEBRI-NXEZZACHSA-N	0	0	170.296	3.428	10	0		AGAERN
Nc1cc2ccsc2cc1Cl	75397094	573554161	/nfs/dbraw/zinc/55/41/61/573554161.db2.gz	PWTHERQCDQOKLO-UHFFFAOYSA-N	0	0	183.663	3.137	10	0		AGAERN
C=CC1=C[C@@H](O)C/C1=C\CCCCC	308619868	573554449	/nfs/dbraw/zinc/55/44/49/573554449.db2.gz	DLFPEABFWAJLOD-YQCJOKCJSA-N	0	0	192.302	3.370	10	0		AGAERN
Fc1cnc2cc(Cl)ccc2c1	257830204	573556842	/nfs/dbraw/zinc/55/68/42/573556842.db2.gz	JDNSQXAVXYZSPB-UHFFFAOYSA-N	0	0	181.597	3.027	10	0		AGAERN
CCC/C(=C/CO)CCC=C(C)C	238266781	573556784	/nfs/dbraw/zinc/55/67/84/573556784.db2.gz	DLMUCCAXFGLKQY-XFXZXTDPSA-N	0	0	182.307	3.452	10	0		AGAERN
C=CC1=C[C@@H](O)C/C1=C/CCCCC	308619865	573557412	/nfs/dbraw/zinc/55/74/12/573557412.db2.gz	DLFPEABFWAJLOD-LLBKUYECSA-N	0	0	192.302	3.370	10	0		AGAERN
CC/C=C/[C@@H](C)[C@@H](O)c1ccccc1	308619845	573557520	/nfs/dbraw/zinc/55/75/20/573557520.db2.gz	DJZQYEPZYMJZKO-GRPWJJFYSA-N	0	0	190.286	3.322	10	0		AGAERN
CCc1c(C)[nH]c2ccc(F)cc12	83574177	573557732	/nfs/dbraw/zinc/55/77/32/573557732.db2.gz	MSYLPOROZSDNOR-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
O=Cc1c(Cl)oc2c(F)cccc12	82384108	573558141	/nfs/dbraw/zinc/55/81/41/573558141.db2.gz	QABUYUQXQAOAQB-UHFFFAOYSA-N	0	0	198.580	3.038	10	0		AGAERN
O[C@@H](c1ccc(C(F)F)cc1)C1CC1	124633272	573558175	/nfs/dbraw/zinc/55/81/75/573558175.db2.gz	UMJITRYOJJDMIU-SNVBAGLBSA-N	0	0	198.212	3.068	10	0		AGAERN
Cc1sc(C2CCCCC2)nc1N	75404452	573558187	/nfs/dbraw/zinc/55/81/87/573558187.db2.gz	WCKMFQQMLVPKKL-UHFFFAOYSA-N	0	0	196.319	3.081	10	0		AGAERN
CC/C=C\[C@@H](C)[C@@H](O)c1ccccc1	308619846	573559440	/nfs/dbraw/zinc/55/94/40/573559440.db2.gz	DJZQYEPZYMJZKO-LICGEQCOSA-N	0	0	190.286	3.322	10	0		AGAERN
CCC1=CC[C@@H]2C(=O)CCC[C@H]2C1	224300477	573561449	/nfs/dbraw/zinc/56/14/49/573561449.db2.gz	QHWYTFFHAHGPED-QWRGUYRKSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)=CCC1[C@H](C)CC(O)C[C@H]1C	145133754	573561630	/nfs/dbraw/zinc/56/16/30/573561630.db2.gz	FLAKAPCOAXPBIL-OKZRHMCRSA-N	0	0	196.334	3.386	10	0		AGAERN
C/C=C\[C@@H](O)C(=C=CCC(C)C)CC	308622816	573562072	/nfs/dbraw/zinc/56/20/72/573562072.db2.gz	HBRILRSXFVITEH-SKQAYNNSSA-N	0	0	194.318	3.461	10	0		AGAERN
Cc1csc2c(F)ccc(O)c12	145156901	573562241	/nfs/dbraw/zinc/56/22/41/573562241.db2.gz	LEDXPZKPBRDVKW-UHFFFAOYSA-N	0	0	182.219	3.054	10	0		AGAERN
CCC1=CC[C@H]2C(=O)CCC[C@@H]2C1	224300332	573562567	/nfs/dbraw/zinc/56/25/67/573562567.db2.gz	QHWYTFFHAHGPED-GHMZBOCLSA-N	0	0	178.275	3.102	10	0		AGAERN
CCC1=CC[C@H]2C(=O)CCC[C@H]2C1	224300423	573562580	/nfs/dbraw/zinc/56/25/80/573562580.db2.gz	QHWYTFFHAHGPED-WDEREUQCSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)n1ccc(C(F)(F)F)c1	220783526	573562797	/nfs/dbraw/zinc/56/27/97/573562797.db2.gz	PIRIQJHEBORIMU-UHFFFAOYSA-N	0	0	177.169	3.088	10	0		AGAERN
Cc1cc(OC2CC2)ccc1Cl	95742123	573563148	/nfs/dbraw/zinc/56/31/48/573563148.db2.gz	ZCERLFDNEJVRPX-UHFFFAOYSA-N	0	0	182.650	3.190	10	0		AGAERN
Cc1nc(C=Cc2ccccc2C)c[nH]1	308621576	573563338	/nfs/dbraw/zinc/56/33/38/573563338.db2.gz	ZCSNYSZBSDCDAK-BQYQJAHWSA-N	0	0	198.269	3.197	10	0		AGAERN
C/C=C\[C@H](O)C(=C=CCC(C)C)CC	308622817	573563457	/nfs/dbraw/zinc/56/34/57/573563457.db2.gz	HBRILRSXFVITEH-VFDMLXGJSA-N	0	0	194.318	3.461	10	0		AGAERN
Cc1cccc2sc([C@H](C)[NH3+])cc12	238440030	573563497	/nfs/dbraw/zinc/56/34/97/573563497.db2.gz	CCYVKMQHGZQCSV-QMMMGPOBSA-N	0	0	191.299	3.229	10	0		AGAERN
CC(=O)C[C@H](F)C1CCCCCC1	257831452	573564399	/nfs/dbraw/zinc/56/43/99/573564399.db2.gz	JQYHOOJXPWRZKJ-NSHDSACASA-N	0	0	186.270	3.274	10	0		AGAERN
C/C=C\C(C)(C)[C@@H](O)c1ccccc1	308622846	573564514	/nfs/dbraw/zinc/56/45/14/573564514.db2.gz	HHONSBKXCRDGLR-JOTVYFQTSA-N	0	0	190.286	3.322	10	0		AGAERN
CC/C(C)=C(\CCO)c1ccccc1	308621286	573564989	/nfs/dbraw/zinc/56/49/89/573564989.db2.gz	FJXKXOVCRUBHBR-ACCUITESSA-N	0	0	190.286	3.253	10	0		AGAERN
C/C=C\[C@@H](O)C[C@H]1CC=C(C)C1(C)C	308621465	573564627	/nfs/dbraw/zinc/56/46/27/573564627.db2.gz	GBTGPGIEVJVIAI-GKKDLHFNSA-N	0	0	194.318	3.306	10	0		AGAERN
C/C=C\[C@@H](C)C[C@@H](O)c1ccccc1	308622786	573565085	/nfs/dbraw/zinc/56/50/85/573565085.db2.gz	GXQJLLXBWRJFCF-JKEYLAGBSA-N	0	0	190.286	3.322	10	0		AGAERN
CC(=O)C[C@@H](F)C1CCCCCC1	257831449	573565094	/nfs/dbraw/zinc/56/50/94/573565094.db2.gz	JQYHOOJXPWRZKJ-LLVKDONJSA-N	0	0	186.270	3.274	10	0		AGAERN
CC1=CC[C@@H](O)C=CC(C)(C)CCC1	308624870	573566264	/nfs/dbraw/zinc/56/62/64/573566264.db2.gz	JVGISPHJMVBZDG-GFCCVEGCSA-N	0	0	194.318	3.450	10	0		AGAERN
CCC[C@@H](O)/C=C(\C)c1ccccc1	308624250	573566183	/nfs/dbraw/zinc/56/61/83/573566183.db2.gz	IWIFSHKQJXVUPV-OCHBPSSRSA-N	0	0	190.286	3.251	10	0		AGAERN
CCC(CC)CNc1ccnc(F)c1	130502889	573566143	/nfs/dbraw/zinc/56/61/43/573566143.db2.gz	PRCXNNYAHXCNIR-UHFFFAOYSA-N	0	0	196.269	3.069	10	0		AGAERN
CC(C)=C/C(=C/c1ccccc1)CO	308625866	573566309	/nfs/dbraw/zinc/56/63/09/573566309.db2.gz	LKIJTUJRZCAIJG-LCYFTJDESA-N	0	0	188.270	3.029	10	0		AGAERN
CC1(C)Cc2cc(Cl)ccc2O1	59509435	573566524	/nfs/dbraw/zinc/56/65/24/573566524.db2.gz	KJTJGPBNILANTK-UHFFFAOYSA-N	0	0	182.650	3.054	10	0		AGAERN
CC1=CC[C@H](O)C=CC(C)(C)CCC1	308624872	573567852	/nfs/dbraw/zinc/56/78/52/573567852.db2.gz	JVGISPHJMVBZDG-LBPRGKRZSA-N	0	0	194.318	3.450	10	0		AGAERN
C=Cc1ccc(C)c(Br)c1	145206872	573567878	/nfs/dbraw/zinc/56/78/78/573567878.db2.gz	XDMTVCPQOZZZPA-UHFFFAOYSA-N	0	0	197.075	3.401	10	0		AGAERN
C/C=C\[C@H](O)C/C=C/c1ccccc1	308624880	573568098	/nfs/dbraw/zinc/56/80/98/573568098.db2.gz	JVJLJVZQRHINDT-VWHPHYOJSA-N	0	0	188.270	3.027	10	0		AGAERN
CC(C)=CCC[C@H](C)/C=C/C=C\CO	308624913	573569489	/nfs/dbraw/zinc/56/94/89/573569489.db2.gz	JYMJOWWNCOMZLX-LXBVYYPXSA-N	0	0	194.318	3.474	10	0		AGAERN
C[C@H](O)/C=C/[C@H]1C[C@@H](C)CC(C)(C)C1	238433442	573571037	/nfs/dbraw/zinc/57/10/37/573571037.db2.gz	XAVYBKUQAROJMC-JXSGWAFGSA-N	0	0	196.334	3.386	10	0		AGAERN
C[C@H]1C=CCC[C@]12CCCCC2=O	238444306	573569503	/nfs/dbraw/zinc/56/95/03/573569503.db2.gz	CLPWYYKCBCQASJ-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
CCc1c(C=O)sc2ccccc12	75426707	573569088	/nfs/dbraw/zinc/56/90/88/573569088.db2.gz	AGJSPMQQHIWYBP-UHFFFAOYSA-N	0	0	190.267	3.276	10	0		AGAERN
Fc1ccc(-c2ccno2)c(Cl)c1	83618010	573569197	/nfs/dbraw/zinc/56/91/97/573569197.db2.gz	ZIUJNXLBAWXPJM-UHFFFAOYSA-N	0	0	197.596	3.134	10	0		AGAERN
Cc1ccc2c(c1)O[C@H](C)C(Cl)=N2	75422725	573569283	/nfs/dbraw/zinc/56/92/83/573569283.db2.gz	VYDOTRZMFKSNAQ-SSDOTTSWSA-N	0	0	195.649	3.045	10	0		AGAERN
CC/C(=C/c1ccc(C)c(C)c1)CO	211925799	573572658	/nfs/dbraw/zinc/57/26/58/573572658.db2.gz	IEAWWRYFSHYNAM-WQLSENKSSA-N	0	0	190.286	3.089	10	0		AGAERN
C/C=C(\CCCO)c1ccc(F)cc1	308625881	573570473	/nfs/dbraw/zinc/57/04/73/573570473.db2.gz	LNLCIWKGXRJHMY-WTDSWWLTSA-N	0	0	194.249	3.002	10	0		AGAERN
CC(C)=CCC[C@@H](C)/C=C/C=C\CO	308624911	573570600	/nfs/dbraw/zinc/57/06/00/573570600.db2.gz	JYMJOWWNCOMZLX-COSSXXEISA-N	0	0	194.318	3.474	10	0		AGAERN
CC1=CC(C)(C)[C@H](C/C=C\[C@@H](C)O)C1	308633407	573570624	/nfs/dbraw/zinc/57/06/24/573570624.db2.gz	WTXYIFRGJKGBCI-GKKDLHFNSA-N	0	0	194.318	3.306	10	0		AGAERN
CC/C=C(\CCCO)c1ccccc1	308625267	573570639	/nfs/dbraw/zinc/57/06/39/573570639.db2.gz	KDRXQGAMWNNWNN-KPKJPENVSA-N	0	0	190.286	3.253	10	0		AGAERN
CC1=C(C)C(C)(C)[C@H]([C@@H](C)O)CC1	238433366	573570672	/nfs/dbraw/zinc/57/06/72/573570672.db2.gz	IOHABSGIDCZBMV-MNOVXSKESA-N	0	0	182.307	3.140	10	0		AGAERN
CNc1csc(C2CCCCC2)n1	258779472	573570688	/nfs/dbraw/zinc/57/06/88/573570688.db2.gz	LUYHCZOBIFWQHF-UHFFFAOYSA-N	0	0	196.319	3.233	10	0		AGAERN
CSCc1coc2ccc(O)cc12	258064438	573570739	/nfs/dbraw/zinc/57/07/39/573570739.db2.gz	PHADXMLZTQJSGT-UHFFFAOYSA-N	0	0	194.255	3.001	10	0		AGAERN
CCCCC[C@@](C)(O)Cc1ccco1	130505478	573571190	/nfs/dbraw/zinc/57/11/90/573571190.db2.gz	CADFXPYVCLOGDE-GFCCVEGCSA-N	0	0	196.290	3.153	10	0		AGAERN
CC/C(=C/c1cc(C)cc(C)c1)CO	211925951	573571366	/nfs/dbraw/zinc/57/13/66/573571366.db2.gz	WXXCWGGPENYEHT-WQLSENKSSA-N	0	0	190.286	3.089	10	0		AGAERN
CC[C@H](C)Nc1cc(Cl)ccc1N	86687558	573571425	/nfs/dbraw/zinc/57/14/25/573571425.db2.gz	QGGJFTLWRYIQFE-ZETCQYMHSA-N	0	0	198.697	3.133	10	0		AGAERN
C[C@H]1C=CCC[C@@]12CCCCC2=O	238443928	573571481	/nfs/dbraw/zinc/57/14/81/573571481.db2.gz	CLPWYYKCBCQASJ-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
O=Cc1csc2c(Cl)cccc12	75426399	573571562	/nfs/dbraw/zinc/57/15/62/573571562.db2.gz	SKRUSBXNZVKWGM-UHFFFAOYSA-N	0	0	196.658	3.367	10	0		AGAERN
O=Cc1oc2ccccc2c1C1CC1	75426969	573571593	/nfs/dbraw/zinc/57/15/93/573571593.db2.gz	SYLDYZJJFFPXRO-UHFFFAOYSA-N	0	0	186.210	3.123	10	0		AGAERN
Cc1cc2c(C=O)csc2cc1F	75426407	573571652	/nfs/dbraw/zinc/57/16/52/573571652.db2.gz	PIBLWLPOXBGGFU-UHFFFAOYSA-N	0	0	194.230	3.161	10	0		AGAERN
C[C@@H]1[C@@H](O)CCC12CCCCCC2	238444116	573571681	/nfs/dbraw/zinc/57/16/81/573571681.db2.gz	RBYJOPUVTYLSIP-MNOVXSKESA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1ccc2c(C=O)csc2c1C	75426405	573571758	/nfs/dbraw/zinc/57/17/58/573571758.db2.gz	HICIPADNDUSGCB-UHFFFAOYSA-N	0	0	190.267	3.331	10	0		AGAERN
CCCCC[C@](C)(O)Cc1ccoc1	130504883	573571814	/nfs/dbraw/zinc/57/18/14/573571814.db2.gz	GULPTAGXGFURKW-LBPRGKRZSA-N	0	0	196.290	3.153	10	0		AGAERN
CC1=C2CCC(=O)[C@H](C)[C@]2(C)CC1	238433272	573571873	/nfs/dbraw/zinc/57/18/73/573571873.db2.gz	YTIHMSWFHWRFLF-CABZTGNLSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(=O)[C@@]12CC=C(C)C[C@]1(C)CC2	197411476	573571921	/nfs/dbraw/zinc/57/19/21/573571921.db2.gz	ZCIMTIHMEQSMGM-RYUDHWBXSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1cc(C)c2oc(C=O)c(C)c2c1	75427116	573571984	/nfs/dbraw/zinc/57/19/84/573571984.db2.gz	YELPRIDBEKYDCZ-UHFFFAOYSA-N	0	0	188.226	3.171	10	0		AGAERN
CC[C@@H](C)Nc1cc(Cl)ccc1N	86687557	573572205	/nfs/dbraw/zinc/57/22/05/573572205.db2.gz	QGGJFTLWRYIQFE-SSDOTTSWSA-N	0	0	198.697	3.133	10	0		AGAERN
CC(=O)[C@]12CC=C(C)C[C@]1(C)CC2	197411459	573572234	/nfs/dbraw/zinc/57/22/34/573572234.db2.gz	ZCIMTIHMEQSMGM-NWDGAFQWSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1=CCC[C@@]12C(=O)CCC[C@H]2C	238444165	573572299	/nfs/dbraw/zinc/57/22/99/573572299.db2.gz	RJTQYBVKQZCLPW-SKDRFNHKSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@H]1C(=O)CCC[C@]12C=CCCC2	238433426	573572333	/nfs/dbraw/zinc/57/23/33/573572333.db2.gz	IAPBMZGJVOVUED-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1=C2CCC(=O)[C@H](C)[C@@]2(C)CC1	238433285	573572363	/nfs/dbraw/zinc/57/23/63/573572363.db2.gz	YTIHMSWFHWRFLF-JOYOIKCWSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)=C[C@@H](C)C1=CCC(=O)CC1	238433700	573572509	/nfs/dbraw/zinc/57/25/09/573572509.db2.gz	JWCDVMYNAVRAIT-SNVBAGLBSA-N	0	0	178.275	3.268	10	0		AGAERN
CNc1ccc(C(F)(F)C(C)C)cc1	259515953	573572520	/nfs/dbraw/zinc/57/25/20/573572520.db2.gz	PGJVIIIXMFFIPX-UHFFFAOYSA-N	0	0	199.244	3.476	10	0		AGAERN
C=C/C=C\CC[C@H](O)c1ccccc1	308634475	573574045	/nfs/dbraw/zinc/57/40/45/573574045.db2.gz	XJYZEGDHGQYEHE-SCOBNMCVSA-N	0	0	188.270	3.242	10	0		AGAERN
C/C=C(\CCCO)c1ccccc1C	308635117	573574066	/nfs/dbraw/zinc/57/40/66/573574066.db2.gz	YBJFBSJBMYPOSQ-KGVSQERTSA-N	0	0	190.286	3.171	10	0		AGAERN
CC[C@@H](C)Nc1c(C)ccc(N)c1C	86687745	573574078	/nfs/dbraw/zinc/57/40/78/573574078.db2.gz	TXFALVZXGRLWTF-SECBINFHSA-N	0	0	192.306	3.096	10	0		AGAERN
CCCCC[C@@](C)(O)Cc1ccoc1	130505069	573574499	/nfs/dbraw/zinc/57/44/99/573574499.db2.gz	GULPTAGXGFURKW-GFCCVEGCSA-N	0	0	196.290	3.153	10	0		AGAERN
CCC[C@@H]1CNc2ccccc2S1	258794980	573574540	/nfs/dbraw/zinc/57/45/40/573574540.db2.gz	MUHOXLMSKNRDHW-SECBINFHSA-N	0	0	193.315	3.373	10	0		AGAERN
COc1cccc2scc(C)c12	144398761	573576583	/nfs/dbraw/zinc/57/65/83/573576583.db2.gz	BBKQCQIGIRBMPR-UHFFFAOYSA-N	0	0	178.256	3.218	10	0		AGAERN
Cc1cc(F)cc([C@@H](C)C[C@H](C)O)c1	86694192	573575728	/nfs/dbraw/zinc/57/57/28/573575728.db2.gz	VVFTYBNXWLZVFP-UWVGGRQHSA-N	0	0	196.265	3.009	10	0		AGAERN
CC1=CCC[C@]12C(=O)CCC[C@H]2C	238444666	573575815	/nfs/dbraw/zinc/57/58/15/573575815.db2.gz	RJTQYBVKQZCLPW-BXKDBHETSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1cc(Cn2cccc2)sc1C	83633885	573575835	/nfs/dbraw/zinc/57/58/35/573575835.db2.gz	YIENAVHSZGFVQB-UHFFFAOYSA-N	0	0	191.299	3.215	10	0		AGAERN
Cc1cc(F)cc(C(=O)C(C)(C)C)c1	86692968	573575996	/nfs/dbraw/zinc/57/59/96/573575996.db2.gz	SKFVOIBTLVHLER-UHFFFAOYSA-N	0	0	194.249	3.363	10	0		AGAERN
Cc1cc(F)cc([C@@H](O)CC(C)C)c1	86692758	573577798	/nfs/dbraw/zinc/57/77/98/573577798.db2.gz	MZSYOUGTDOOKST-LBPRGKRZSA-N	0	0	196.265	3.214	10	0		AGAERN
CC(=O)C[C@@H](C)c1cc(C)cc(F)c1	86693944	573577718	/nfs/dbraw/zinc/57/77/18/573577718.db2.gz	WFVAWGNIDBMLPV-SECBINFHSA-N	0	0	194.249	3.217	10	0		AGAERN
CC[C@H](C)Nc1cc(N)ccc1Cl	86688116	573577760	/nfs/dbraw/zinc/57/77/60/573577760.db2.gz	VQANHEHTWRDLNW-ZETCQYMHSA-N	0	0	198.697	3.133	10	0		AGAERN
CC[C@H](C)Nc1cc(C)c(C)cc1N	86688208	573577906	/nfs/dbraw/zinc/57/79/06/573577906.db2.gz	HELCQZSDHVOFAL-JTQLQIEISA-N	0	0	192.306	3.096	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1cc(C)cc(F)c1	86692741	573578027	/nfs/dbraw/zinc/57/80/27/573578027.db2.gz	AZAULLSKQMXJOX-SKDRFNHKSA-N	0	0	196.265	3.214	10	0		AGAERN
Cc1cc(F)cc([C@H](C)C[C@@H](C)O)c1	86694190	573578033	/nfs/dbraw/zinc/57/80/33/573578033.db2.gz	VVFTYBNXWLZVFP-NXEZZACHSA-N	0	0	196.265	3.009	10	0		AGAERN
CCc1ccc(N[C@@H](C)CC)cc1N	86687991	573578174	/nfs/dbraw/zinc/57/81/74/573578174.db2.gz	IEGFGVPSNRCFIB-VIFPVBQESA-N	0	0	192.306	3.042	10	0		AGAERN
CC[C@H](C)C(=O)c1cc(C)cc(F)c1	86692989	573578180	/nfs/dbraw/zinc/57/81/80/573578180.db2.gz	LIYYURNRLMWEON-VIFPVBQESA-N	0	0	194.249	3.363	10	0		AGAERN
CC(=O)C[C@H](C)c1cc(C)cc(F)c1	86693942	573578250	/nfs/dbraw/zinc/57/82/50/573578250.db2.gz	WFVAWGNIDBMLPV-VIFPVBQESA-N	0	0	194.249	3.217	10	0		AGAERN
CC(=O)CC1CCC(C)(C)CC1	107404337	573578335	/nfs/dbraw/zinc/57/83/35/573578335.db2.gz	AMBXGCVPMLNTMT-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@H]1CNc2ccccc2S1	258794982	573578583	/nfs/dbraw/zinc/57/85/83/573578583.db2.gz	MUHOXLMSKNRDHW-VIFPVBQESA-N	0	0	193.315	3.373	10	0		AGAERN
CCc1cc(CC)c(C)c(O)c1C	144303738	573578624	/nfs/dbraw/zinc/57/86/24/573578624.db2.gz	VXMPJTQBRCTEIW-UHFFFAOYSA-N	0	0	178.275	3.134	10	0		AGAERN
CC[C@@H](C)C(=O)c1cc(C)cc(F)c1	86692988	573578722	/nfs/dbraw/zinc/57/87/22/573578722.db2.gz	LIYYURNRLMWEON-SECBINFHSA-N	0	0	194.249	3.363	10	0		AGAERN
C[C@@H]1c2ccc(O)cc2C(C)(C)[C@@H]1C	238441239	573578761	/nfs/dbraw/zinc/57/87/61/573578761.db2.gz	GZLBBWRGVQPPCK-DTWKUNHWSA-N	0	0	190.286	3.423	10	0		AGAERN
Cc1cc(F)cc([C@H](O)C(C)(C)C)c1	86692773	573578828	/nfs/dbraw/zinc/57/88/28/573578828.db2.gz	YYDOUYQFTYPMEY-NSHDSACASA-N	0	0	196.265	3.214	10	0		AGAERN
C/C=C\C[C@@H](O)/C=C/c1ccccc1	308635973	573578911	/nfs/dbraw/zinc/57/89/11/573578911.db2.gz	YUMMTTZMEVBYOH-UCGAEHFDSA-N	0	0	188.270	3.027	10	0		AGAERN
Cc1nc(-c2ccccc2C)c(C)[nH]1	258792030	573579123	/nfs/dbraw/zinc/57/91/23/573579123.db2.gz	VVKJQTIJZYRBIC-UHFFFAOYSA-N	0	0	186.258	3.002	10	0		AGAERN
Cc1cc(F)cc([C@@H](O)C(C)(C)C)c1	86692774	573579254	/nfs/dbraw/zinc/57/92/54/573579254.db2.gz	YYDOUYQFTYPMEY-LLVKDONJSA-N	0	0	196.265	3.214	10	0		AGAERN
Nc1csc2cc(C3CC3)sc12	75465495	573579353	/nfs/dbraw/zinc/57/93/53/573579353.db2.gz	OAFQAUHZGOJLFP-UHFFFAOYSA-N	0	0	195.312	3.422	10	0		AGAERN
Cc1c(-c2ccccc2)coc1C=O	238441179	573579381	/nfs/dbraw/zinc/57/93/81/573579381.db2.gz	NUDILCYBCVNSIG-UHFFFAOYSA-N	0	0	186.210	3.068	10	0		AGAERN
CC[C@H](C)[C@H](O)c1cc(C)cc(F)c1	86692742	573579581	/nfs/dbraw/zinc/57/95/81/573579581.db2.gz	AZAULLSKQMXJOX-CABZTGNLSA-N	0	0	196.265	3.214	10	0		AGAERN
C[C@@H]1CCC2=C1CCC(=O)C[C@H]2C	238440680	573579584	/nfs/dbraw/zinc/57/95/84/573579584.db2.gz	QOGJBDFANDULAU-RKDXNWHRSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1cc(F)cc([C@H](C)C[C@H](C)O)c1	86694195	573579592	/nfs/dbraw/zinc/57/95/92/573579592.db2.gz	VVFTYBNXWLZVFP-ZJUUUORDSA-N	0	0	196.265	3.009	10	0		AGAERN
Cc1cc(F)cc([C@@H](C)C[C@@H](C)O)c1	86694188	573579917	/nfs/dbraw/zinc/57/99/17/573579917.db2.gz	VVFTYBNXWLZVFP-VHSXEESVSA-N	0	0	196.265	3.009	10	0		AGAERN
C[C@@H]1CCCC(C)(C)[C@@]12CC[C@@H](O)C2	238445635	573580053	/nfs/dbraw/zinc/58/00/53/573580053.db2.gz	UCYYIHLOXDKEIL-NQBHXWOUSA-N	0	0	196.334	3.364	10	0		AGAERN
c1ccc(Sc2ccco2)cc1	36448191	573580539	/nfs/dbraw/zinc/58/05/39/573580539.db2.gz	KOLRDJDHOMTWFK-UHFFFAOYSA-N	0	0	176.240	3.431	10	0		AGAERN
C=CNc1ccc2ccccc2c1	144316981	573580549	/nfs/dbraw/zinc/58/05/49/573580549.db2.gz	TYLWAELYIWRGRY-UHFFFAOYSA-N	0	0	169.227	3.395	10	0		AGAERN
CC[C@H]1c2ccc(C)cc2C(=O)[C@@H]1C	86717950	573582888	/nfs/dbraw/zinc/58/28/88/573582888.db2.gz	GWYVIVMAEFXPJA-NXEZZACHSA-N	0	0	188.270	3.321	10	0		AGAERN
CCSc1cc(C)nc(C(C)C)n1	144413337	573580751	/nfs/dbraw/zinc/58/07/51/573580751.db2.gz	UNQKKHXKUXOBRH-UHFFFAOYSA-N	0	0	196.319	3.020	10	0		AGAERN
CCc1ccc(N[C@H](C)CC)cc1N	86687992	573580841	/nfs/dbraw/zinc/58/08/41/573580841.db2.gz	IEGFGVPSNRCFIB-SECBINFHSA-N	0	0	192.306	3.042	10	0		AGAERN
CCc1c(Cl)ccc(Cl)c1N	144382868	573580897	/nfs/dbraw/zinc/58/08/97/573580897.db2.gz	KBVXRHHSJCKRSB-UHFFFAOYSA-N	0	0	190.073	3.138	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1cc(C)cc(F)c1	86692743	573581049	/nfs/dbraw/zinc/58/10/49/573581049.db2.gz	AZAULLSKQMXJOX-BXKDBHETSA-N	0	0	196.265	3.214	10	0		AGAERN
CC[C@@H](C)Nc1cc(C)c(C)cc1N	86688206	573581094	/nfs/dbraw/zinc/58/10/94/573581094.db2.gz	HELCQZSDHVOFAL-SNVBAGLBSA-N	0	0	192.306	3.096	10	0		AGAERN
C[C@@H]1CCC2=CCC[C@@H](CC1=O)C2	238440947	573581121	/nfs/dbraw/zinc/58/11/21/573581121.db2.gz	QQENJGQETRIVDX-MWLCHTKSSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1=CCC[C@@H](C)[C@]12CCC(=O)C2	238441498	573581231	/nfs/dbraw/zinc/58/12/31/573581231.db2.gz	PRDNOXGWMSOITL-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@H]1CC(=O)CCC2=C1CC[C@H]2C	238440669	573581305	/nfs/dbraw/zinc/58/13/05/573581305.db2.gz	QOGJBDFANDULAU-BDAKNGLRSA-N	0	0	178.275	3.102	10	0		AGAERN
Nc1csc(CC2CCCCC2)c1	75468340	573581516	/nfs/dbraw/zinc/58/15/16/573581516.db2.gz	OTZOJGFGNZXWIO-UHFFFAOYSA-N	0	0	195.331	3.453	10	0		AGAERN
CC(C)[Si](C)(C(C)C)C(C)(C)O	198325877	573582296	/nfs/dbraw/zinc/58/22/96/573582296.db2.gz	HLBYJBMCIFKOGY-UHFFFAOYSA-N	0	0	188.387	3.195	10	0		AGAERN
CCc1ccc2c(c1)C(=O)[C@H](C)[C@@H]2C	86718021	573582363	/nfs/dbraw/zinc/58/23/63/573582363.db2.gz	BYVFDEURUKCQAT-DTWKUNHWSA-N	0	0	188.270	3.185	10	0		AGAERN
C[C@@H]1CC[C@@H](C)c2cc(O)ccc21	238441088	573582471	/nfs/dbraw/zinc/58/24/71/573582471.db2.gz	QWRFGAXINZTDBX-RKDXNWHRSA-N	0	0	176.259	3.393	10	0		AGAERN
CSc1ccc(C(=O)C2CC2)s1	75467928	573582632	/nfs/dbraw/zinc/58/26/32/573582632.db2.gz	SDZKDGFCEWHFMX-UHFFFAOYSA-N	0	0	198.312	3.063	10	0		AGAERN
Cc1c[nH]c2c1ccc1[nH]cc(C)c12	238442614	573583179	/nfs/dbraw/zinc/58/31/79/573583179.db2.gz	GGWIBVNSAGVHDM-UHFFFAOYSA-N	0	0	184.242	3.266	10	0		AGAERN
COc1[nH]c2ccccc2c1C(C)C	238442338	573583234	/nfs/dbraw/zinc/58/32/34/573583234.db2.gz	BAGQWXJGTTXOGO-UHFFFAOYSA-N	0	0	189.258	3.300	10	0		AGAERN
C[C@@H]1CCC=C2CCCC(=O)[C@@]21C	238442557	573584485	/nfs/dbraw/zinc/58/44/85/573584485.db2.gz	VHLUTMKYFHULOO-BXKDBHETSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1=CCC[C@@H](C)[C@@]12CCC(=O)C2	238441779	573584543	/nfs/dbraw/zinc/58/45/43/573584543.db2.gz	PRDNOXGWMSOITL-ZYHUDNBSSA-N	0	0	178.275	3.102	10	0		AGAERN
CCc1ccc2c(c1)C(=O)[C@@H](C)[C@@H]2C	86718023	573584609	/nfs/dbraw/zinc/58/46/09/573584609.db2.gz	BYVFDEURUKCQAT-IUCAKERBSA-N	0	0	188.270	3.185	10	0		AGAERN
CC(C)[C@@H]1c2ccccc2C(=O)[C@@H]1C	86718015	573584663	/nfs/dbraw/zinc/58/46/63/573584663.db2.gz	XMRLHGYJJRSNTF-SKDRFNHKSA-N	0	0	188.270	3.259	10	0		AGAERN
C[C@H]1CC[C@@H](C)c2ccccc2N1	238442117	573584806	/nfs/dbraw/zinc/58/48/06/573584806.db2.gz	HTDWFEOOMAUIPB-ZJUUUORDSA-N	0	0	175.275	3.384	10	0		AGAERN
CCc1ccc2c(c1)C(=O)[C@H](C)[C@H]2C	86718025	573584840	/nfs/dbraw/zinc/58/48/40/573584840.db2.gz	BYVFDEURUKCQAT-RKDXNWHRSA-N	0	0	188.270	3.185	10	0		AGAERN
O=C1CC[C@@]12CCCC21CCCC1	144430450	573584974	/nfs/dbraw/zinc/58/49/74/573584974.db2.gz	PDKOTSPUBLWIKU-LBPRGKRZSA-N	0	0	178.275	3.080	10	0		AGAERN
CNc1ncc(CCCC(C)C)s1	258807267	573585408	/nfs/dbraw/zinc/58/54/08/573585408.db2.gz	NRCJZZBSQKNLBX-UHFFFAOYSA-N	0	0	198.335	3.164	10	0		AGAERN
Cc1ccc2c([C@H](C)O)cccc2c1	238441614	573586937	/nfs/dbraw/zinc/58/69/37/573586937.db2.gz	WCFSANNQLCZORF-JTQLQIEISA-N	0	0	186.254	3.202	10	0		AGAERN
CCCc1cc(C)[nH]c1CCC	238275097	573586949	/nfs/dbraw/zinc/58/69/49/573586949.db2.gz	FQHARRMQOHYTAA-UHFFFAOYSA-N	0	0	165.280	3.228	10	0		AGAERN
CC[C@@H]1c2ccccc2C(=O)[C@@H]1C	86718204	573588201	/nfs/dbraw/zinc/58/82/01/573588201.db2.gz	CLLJPYJRAFBDON-BDAKNGLRSA-N	0	0	174.243	3.013	10	0		AGAERN
CCC[C@H]1c2ccccc2C(=O)[C@H]1C	86718291	573588517	/nfs/dbraw/zinc/58/85/17/573588517.db2.gz	JCMWOUJHZDYTNH-VHSXEESVSA-N	0	0	188.270	3.403	10	0		AGAERN
Cc1cc(C)c2c(c1)C(=O)[C@H](C)[C@@H]2C	86718193	573588522	/nfs/dbraw/zinc/58/85/22/573588522.db2.gz	WRDJFXYCAFXCCM-VHSXEESVSA-N	0	0	188.270	3.239	10	0		AGAERN
C[C@@H]1C(=O)c2ccccc2CC[C@H]1C	86718127	573588605	/nfs/dbraw/zinc/58/86/05/573588605.db2.gz	MOKYRJWDJBPUCS-ZJUUUORDSA-N	0	0	188.270	3.088	10	0		AGAERN
CC[C@H]1c2ccc(F)cc2C(=O)[C@H]1C	86718307	573588623	/nfs/dbraw/zinc/58/86/23/573588623.db2.gz	GWXZWVNQZBJDCS-IONNQARKSA-N	0	0	192.233	3.152	10	0		AGAERN
CC1(C[C@@](C)(CO)C2CC2)CCCC1	308640561	573589449	/nfs/dbraw/zinc/58/94/49/573589449.db2.gz	CWOBSEDZLRTLHU-ZDUSSCGKSA-N	0	0	196.334	3.365	10	0		AGAERN
Cc1ccc(C)c2c1C(=O)[C@@H](C)[C@H]2C	86718322	573589575	/nfs/dbraw/zinc/58/95/75/573589575.db2.gz	JXRSVWUWVNRRJO-ZJUUUORDSA-N	0	0	188.270	3.239	10	0		AGAERN
CC(C)=CC[C@@H]1C(C)=C[C@@H](O)C[C@@H]1C	238443340	573589828	/nfs/dbraw/zinc/58/98/28/573589828.db2.gz	FUEUSNCAYOEADN-YNEHKIRRSA-N	0	0	194.318	3.306	10	0		AGAERN
C[C@H]1CCc2ccccc2C(=O)[C@H]1C	86718129	573589851	/nfs/dbraw/zinc/58/98/51/573589851.db2.gz	MOKYRJWDJBPUCS-UWVGGRQHSA-N	0	0	188.270	3.088	10	0		AGAERN
CCC[C@H]1c2ccccc2C(=O)[C@@H]1C	86718288	573590237	/nfs/dbraw/zinc/59/02/37/573590237.db2.gz	JCMWOUJHZDYTNH-NXEZZACHSA-N	0	0	188.270	3.403	10	0		AGAERN
CCC[C@@H]1c2ccccc2[C@H](O)[C@@H]1C	86721663	573591278	/nfs/dbraw/zinc/59/12/78/573591278.db2.gz	IIDDJDVWQGXORB-GBIKHYSHSA-N	0	0	190.286	3.253	10	0		AGAERN
CC1(C)CC[C@H](CCCF)C(=O)C1	717502477	573591287	/nfs/dbraw/zinc/59/12/87/573591287.db2.gz	OPNBITOSHKZCDB-VIFPVBQESA-N	0	0	186.270	3.132	10	0		AGAERN
CC[C@@H]1c2ccc(F)cc2C(=O)[C@@H]1C	86718301	573591068	/nfs/dbraw/zinc/59/10/68/573591068.db2.gz	GWXZWVNQZBJDCS-APPZFPTMSA-N	0	0	192.233	3.152	10	0		AGAERN
CC(C)[C@@H]1c2ccccc2[C@H](O)[C@H]1C	86721901	573591116	/nfs/dbraw/zinc/59/11/16/573591116.db2.gz	OQELZFOBARAACI-TVYUQYBPSA-N	0	0	190.286	3.109	10	0		AGAERN
CC(C)=C=CC=C=C(C)[C@@H](C)[C@@H](C)O	238443571	573591211	/nfs/dbraw/zinc/59/12/11/573591211.db2.gz	SJLDFTMZCIKGEG-VFVWQQSLSA-N	0	0	192.302	3.226	10	0		AGAERN
CC[C@H]1c2ccccc2C(=O)[C@H]1C	86718209	573591580	/nfs/dbraw/zinc/59/15/80/573591580.db2.gz	CLLJPYJRAFBDON-DTWKUNHWSA-N	0	0	174.243	3.013	10	0		AGAERN
Cc1cc(C)c2c(c1)[C@H](O)[C@@H](C)[C@@H]2C	86721841	573591592	/nfs/dbraw/zinc/59/15/92/573591592.db2.gz	MVARDCWBDPZKHJ-OUJBWJOFSA-N	0	0	190.286	3.090	10	0		AGAERN
CCC[C@@H]1c2ccccc2C(=O)[C@@H]1C	86718286	573591650	/nfs/dbraw/zinc/59/16/50/573591650.db2.gz	JCMWOUJHZDYTNH-ZJUUUORDSA-N	0	0	188.270	3.403	10	0		AGAERN
Cc1ccc(C)c2c1[C@@H](O)[C@@H](C)[C@H]2C	86721542	573591666	/nfs/dbraw/zinc/59/16/66/573591666.db2.gz	BBQTUSXYIIICSQ-NRUUGDAUSA-N	0	0	190.286	3.090	10	0		AGAERN
CCCCC[C@@H](O)c1csc(C)n1	126626762	573591830	/nfs/dbraw/zinc/59/18/30/573591830.db2.gz	KCGMTJMHSNOCBG-SNVBAGLBSA-N	0	0	199.319	3.065	10	0		AGAERN
Cc1ccc(/C=C\C[C@@H](C)CO)cc1	308631674	573594899	/nfs/dbraw/zinc/59/48/99/573594899.db2.gz	VLACVBJRWGAENF-KTLBGCOUSA-N	0	0	190.286	3.027	10	0		AGAERN
CC1(C)CSc2ccccc2C1=O	107423853	573594983	/nfs/dbraw/zinc/59/49/83/573594983.db2.gz	XHPQROKSTPPIFJ-UHFFFAOYSA-N	0	0	192.283	3.001	10	0		AGAERN
CC(C)=C/C=C/C=C(/C)[C@H](C)[C@H](C)O	308632814	573595356	/nfs/dbraw/zinc/59/53/56/573595356.db2.gz	WKIIPZXEEWYDJA-UZYWDFJJSA-N	0	0	194.318	3.472	10	0		AGAERN
C=CSc1c(C)ccc(C)c1O	238455216	573595369	/nfs/dbraw/zinc/59/53/69/573595369.db2.gz	YHFKOYHVNOUAPM-UHFFFAOYSA-N	0	0	180.272	3.245	10	0		AGAERN
Cc1cc(Cl)c2c(c1O)CC[C@@H]2C	238455317	573595467	/nfs/dbraw/zinc/59/54/67/573595467.db2.gz	UEZIYCPEDYRVHN-LURJTMIESA-N	0	0	196.677	3.404	10	0		AGAERN
C/C=C\C[C@@H](CCO)c1ccccc1	308632782	573595966	/nfs/dbraw/zinc/59/59/66/573595966.db2.gz	WELBSNFGLGCSMX-ZRMMWKCHSA-N	0	0	190.286	3.119	10	0		AGAERN
CC(=O)c1cccc2c1[C@@H](C)[C@H]2C	238456201	573596010	/nfs/dbraw/zinc/59/60/10/573596010.db2.gz	GKBKAAGQSVOEDO-SFYZADRCSA-N	0	0	174.243	3.110	10	0		AGAERN
CCCC[C@@H](C)C(=O)c1cscn1	393539750	573596318	/nfs/dbraw/zinc/59/63/18/573596318.db2.gz	CZUVILZGJPSUOM-MRVPVSSYSA-N	0	0	197.303	3.152	10	0		AGAERN
C[C@H]1CCC[C@@]2(C)C(=O)CCC=C12	238455525	573596551	/nfs/dbraw/zinc/59/65/51/573596551.db2.gz	PMCXRSAJFTVUJZ-JOYOIKCWSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1cc(Oc2ccccc2C)ccn1	308814253	573596612	/nfs/dbraw/zinc/59/66/12/573596612.db2.gz	AQBZEZDUZUMBGS-UHFFFAOYSA-N	0	0	199.253	3.491	10	0		AGAERN
Cc1cc(O)c2c(c1C)[C@@H](C)CC2	238455336	573596676	/nfs/dbraw/zinc/59/66/76/573596676.db2.gz	NULZSBULDKVWAV-ZETCQYMHSA-N	0	0	176.259	3.059	10	0		AGAERN
CCC(CC)c1csc(C=O)c1	82395073	573597702	/nfs/dbraw/zinc/59/77/02/573597702.db2.gz	FKLAFAPQXXERLQ-UHFFFAOYSA-N	0	0	182.288	3.464	10	0		AGAERN
C[Si](C)(C)[C@@H]1CCCC=C1CCO	238445851	573598913	/nfs/dbraw/zinc/59/89/13/573598913.db2.gz	LMLVZXOLQXXJAB-LLVKDONJSA-N	0	0	198.382	3.188	10	0		AGAERN
C[C@@H]1CCC(=O)[C@H](CCCCF)C1	393540208	573599968	/nfs/dbraw/zinc/59/99/68/573599968.db2.gz	WHRGHVYBUXKZMM-NXEZZACHSA-N	0	0	186.270	3.132	10	0		AGAERN
C[C@@H]1C[C@H]1C(=O)CC1=CCCCC1	238457424	573600799	/nfs/dbraw/zinc/60/07/99/573600799.db2.gz	FCHBQFJCFDSMJG-MWLCHTKSSA-N	0	0	178.275	3.102	10	0		AGAERN
COc1nc(C2CCCCC2)cs1	259138273	573601030	/nfs/dbraw/zinc/60/10/30/573601030.db2.gz	DDAVUWJTMKUMEV-UHFFFAOYSA-N	0	0	197.303	3.199	10	0		AGAERN
C[C@H]1CCC(=O)[C@@H](CCCCF)C1	393540211	573601101	/nfs/dbraw/zinc/60/11/01/573601101.db2.gz	WHRGHVYBUXKZMM-UWVGGRQHSA-N	0	0	186.270	3.132	10	0		AGAERN
C[C@H]1CCC(=O)[C@H](CCCCF)C1	393540213	573601251	/nfs/dbraw/zinc/60/12/51/573601251.db2.gz	WHRGHVYBUXKZMM-VHSXEESVSA-N	0	0	186.270	3.132	10	0		AGAERN
C[Si](C)(C)[C@@H]1CCCCC[C@H]1O	238445928	573601513	/nfs/dbraw/zinc/60/15/13/573601513.db2.gz	WRSGIQBWYLPQRC-NXEZZACHSA-N	0	0	186.371	3.020	10	0		AGAERN
Oc1ccccc1[C@H]1CC[C@H]1C(F)F	257836875	573602996	/nfs/dbraw/zinc/60/29/96/573602996.db2.gz	APUUNYYDOULZSP-VXNVDRBHSA-N	0	0	198.212	3.151	10	0		AGAERN
C[C@@H]1CC[C@@](C)(c2ccc(O)cc2)C1	238446167	573603574	/nfs/dbraw/zinc/60/35/74/573603574.db2.gz	WUBGSFVREDWYDK-ZWNOBZJWSA-N	0	0	190.286	3.470	10	0		AGAERN
CC(C)=C[C@H](O)[C@@H]1CC(C)=C[C@@H](C)C1	235622523	573604082	/nfs/dbraw/zinc/60/40/82/573604082.db2.gz	WVQFPMOGASLQBS-WXHSDQCUSA-N	0	0	194.318	3.306	10	0		AGAERN
C[C@H]1C=C2CC(=O)CC[C@]2(C)CC1	238447236	573603920	/nfs/dbraw/zinc/60/39/20/573603920.db2.gz	WWNJHIPSACMTAG-SKDRFNHKSA-N	0	0	178.275	3.102	10	0		AGAERN
CCC1=N[C@@](C)(CC)N[C@](C)(CC)C1	147372517	573604063	/nfs/dbraw/zinc/60/40/63/573604063.db2.gz	PLWSZFMXEYJTBC-VXGBXAGGSA-N	0	0	196.338	3.126	10	0		AGAERN
Oc1ccccc1[C@@H]1CC[C@@H]1C(F)F	257836872	573604416	/nfs/dbraw/zinc/60/44/16/573604416.db2.gz	APUUNYYDOULZSP-CBAPKCEASA-N	0	0	198.212	3.151	10	0		AGAERN
C[C@@H]1CC[C@@]2(C)C(=O)CCC=C2C1	238447153	573604513	/nfs/dbraw/zinc/60/45/13/573604513.db2.gz	KIUDBTRNPYSNRV-BXKDBHETSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@H](O)c1cc2ccsc2s1	238446500	573604524	/nfs/dbraw/zinc/60/45/24/573604524.db2.gz	CALVEAGYBYIYFS-YFKPBYRVSA-N	0	0	184.285	3.016	10	0		AGAERN
CSCC(C)(C)c1ccc(O)cc1	257836829	573604837	/nfs/dbraw/zinc/60/48/37/573604837.db2.gz	APBXAFJPQZQERD-UHFFFAOYSA-N	0	0	196.315	3.033	10	0		AGAERN
C[C@H](O)c1cc2ccc(Cl)cc2o1	238446356	573604873	/nfs/dbraw/zinc/60/48/73/573604873.db2.gz	MVMWMABFCOCYLS-LURJTMIESA-N	0	0	196.633	3.140	10	0		AGAERN
C[C@@H]1CCCC(C)(C)[C@]12CC[C@@H](O)C2	238445941	573605261	/nfs/dbraw/zinc/60/52/61/573605261.db2.gz	UCYYIHLOXDKEIL-WZRBSPASSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1cccc(SC[NH2+]C(C)C)c1	259123376	573605402	/nfs/dbraw/zinc/60/54/02/573605402.db2.gz	CDDUSJQKESOCSO-UHFFFAOYSA-N	0	0	195.331	3.043	10	0		AGAERN
CCC1=N[C@](C)(CC)N[C@@](C)(CC)C1	147372368	573606302	/nfs/dbraw/zinc/60/63/02/573606302.db2.gz	PLWSZFMXEYJTBC-RYUDHWBXSA-N	0	0	196.338	3.126	10	0		AGAERN
Oc1ccccc1[C@@H]1CC[C@H]1C(F)F	257836874	573605571	/nfs/dbraw/zinc/60/55/71/573605571.db2.gz	APUUNYYDOULZSP-IONNQARKSA-N	0	0	198.212	3.151	10	0		AGAERN
Oc1ccccc1[C@H](CF)C1CCC1	259525364	573605862	/nfs/dbraw/zinc/60/58/62/573605862.db2.gz	APSJTQBHUIYWQB-LLVKDONJSA-N	0	0	194.249	3.245	10	0		AGAERN
C[C@H]1CC(=O)C[C@@H](C(C)(C)C)C1	238447077	573605983	/nfs/dbraw/zinc/60/59/83/573605983.db2.gz	XTBLRIDDPIWKQO-BDAKNGLRSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1ccc(N)c(CC(C)(C)C)c1	257836333	573606156	/nfs/dbraw/zinc/60/61/56/573606156.db2.gz	LCHWHAXUTBYDQN-UHFFFAOYSA-N	0	0	177.291	3.166	10	0		AGAERN
Cc1ccc(-c2cc(C)no2)c(C)c1	259140457	573606406	/nfs/dbraw/zinc/60/64/06/573606406.db2.gz	HTFIKBOMXMYKJA-UHFFFAOYSA-N	0	0	187.242	3.267	10	0		AGAERN
CCC1=N[C@@](C)(CC)N[C@@](C)(CC)C1	147372174	573606444	/nfs/dbraw/zinc/60/64/44/573606444.db2.gz	PLWSZFMXEYJTBC-NWDGAFQWSA-N	0	0	196.338	3.126	10	0		AGAERN
CCC1=N[C@](C)(CC)N[C@](C)(CC)C1	147372707	573606473	/nfs/dbraw/zinc/60/64/73/573606473.db2.gz	PLWSZFMXEYJTBC-NEPJUHHUSA-N	0	0	196.338	3.126	10	0		AGAERN
C[C@H]1C=C2CCCC(=O)[C@]2(C)CC1	238447172	573606491	/nfs/dbraw/zinc/60/64/91/573606491.db2.gz	KEZGZBXRROMXND-BXKDBHETSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@@H]1CCCCCC(=O)CCC1	238448529	573607762	/nfs/dbraw/zinc/60/77/62/573607762.db2.gz	LCRQGNURNVQRJY-SNVBAGLBSA-N	0	0	168.280	3.326	10	0		AGAERN
Nc1ccccc1[C@@H]1CCC[C@@H]1CF	259528121	573608606	/nfs/dbraw/zinc/60/86/06/573608606.db2.gz	AXPPQFFRYJUUDX-NXEZZACHSA-N	0	0	193.265	3.122	10	0		AGAERN
C[C@@H]1CCCC2=CCCC(=O)[C@]21C	238447326	573608675	/nfs/dbraw/zinc/60/86/75/573608675.db2.gz	ZUWIMCZKMVBCPR-SKDRFNHKSA-N	0	0	178.275	3.102	10	0		AGAERN
O=C1CCc2c1cccc2-c1ccoc1	236415219	573607785	/nfs/dbraw/zinc/60/77/85/573607785.db2.gz	BZWPVOGVYCOALT-UHFFFAOYSA-N	0	0	198.221	3.076	10	0		AGAERN
C[C@H](O)C[C@@H]1CC2=C1C(C)(C)CCC2	238447876	573607858	/nfs/dbraw/zinc/60/78/58/573607858.db2.gz	OFHJSAXYSSSASI-GXSJLCMTSA-N	0	0	194.318	3.284	10	0		AGAERN
COCc1ccc(C(C)(C)C)cc1C	259527381	573608503	/nfs/dbraw/zinc/60/85/03/573608503.db2.gz	WDZCPMXHRORDAN-UHFFFAOYSA-N	0	0	192.302	3.439	10	0		AGAERN
Oc1ccccc1CC1CCCC1	257837010	573608573	/nfs/dbraw/zinc/60/85/73/573608573.db2.gz	LEJPISXCUMETIS-UHFFFAOYSA-N	0	0	176.259	3.125	10	0		AGAERN
CC(=O)c1ccc2c(c1)[C@@H](C)C=C2	238448444	573609601	/nfs/dbraw/zinc/60/96/01/573609601.db2.gz	UDXXOIDDIKPAOU-QMMMGPOBSA-N	0	0	172.227	3.020	10	0		AGAERN
C[C@H]1C=Cc2c(O)ccc(Cl)c21	238448407	573608813	/nfs/dbraw/zinc/60/88/13/573608813.db2.gz	SEKLAPKVCAVYGO-LURJTMIESA-N	0	0	180.634	3.176	10	0		AGAERN
Nc1ccccc1[C@H]1CCC[C@@H]1CF	259528157	573609021	/nfs/dbraw/zinc/60/90/21/573609021.db2.gz	AXPPQFFRYJUUDX-ZJUUUORDSA-N	0	0	193.265	3.122	10	0		AGAERN
CC1=CCC(=C(C)C)[C@H](C[C@H](C)O)C1	238447844	573609196	/nfs/dbraw/zinc/60/91/96/573609196.db2.gz	IFARVQQQZSBOTA-RYUDHWBXSA-N	0	0	194.318	3.450	10	0		AGAERN
Nc1ccccc1[C@H]1CCC[C@H]1CF	259528135	573609346	/nfs/dbraw/zinc/60/93/46/573609346.db2.gz	AXPPQFFRYJUUDX-UWVGGRQHSA-N	0	0	193.265	3.122	10	0		AGAERN
Nc1ccccc1[C@@H]1CCC[C@H]1CF	259528147	573609355	/nfs/dbraw/zinc/60/93/55/573609355.db2.gz	AXPPQFFRYJUUDX-VHSXEESVSA-N	0	0	193.265	3.122	10	0		AGAERN
CCc1[nH]c2ccc(F)cc2c1C	83728671	573609458	/nfs/dbraw/zinc/60/94/58/573609458.db2.gz	RPFRUWYZKCHFEV-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
Cc1ccc2c(c1C)NC(C)(C)C2	142734605	573609595	/nfs/dbraw/zinc/60/95/95/573609595.db2.gz	LYCJSJUFJOSLMK-UHFFFAOYSA-N	0	0	175.275	3.050	10	0		AGAERN
COC(=O)[C@@H]1CCC[C@@H](CC(C)C)C1	259527238	573609566	/nfs/dbraw/zinc/60/95/66/573609566.db2.gz	DXSOHSBXBZWMII-WDEREUQCSA-N	0	0	198.306	3.012	10	0		AGAERN
O=C1CCc2c1cccc2-c1ccco1	236415199	573609575	/nfs/dbraw/zinc/60/95/75/573609575.db2.gz	TTYQJPFXBABIIV-UHFFFAOYSA-N	0	0	198.221	3.076	10	0		AGAERN
C[C@@H]1CCCC2=CCCC(=O)[C@@]21C	238447345	573609729	/nfs/dbraw/zinc/60/97/29/573609729.db2.gz	ZUWIMCZKMVBCPR-BXKDBHETSA-N	0	0	178.275	3.102	10	0		AGAERN
COC(=O)[C@H]1CCC[C@@H](CC(C)C)C1	259527237	573610945	/nfs/dbraw/zinc/61/09/45/573610945.db2.gz	DXSOHSBXBZWMII-QWRGUYRKSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)(C)c1ccc(C=O)c(Cl)c1	142719051	573612333	/nfs/dbraw/zinc/61/23/33/573612333.db2.gz	NRKQMDLBMZFWDM-UHFFFAOYSA-N	0	0	196.677	3.450	10	0		AGAERN
CC(=O)[C@H]1CCCCC[C@@H](C)C1	238449464	573611890	/nfs/dbraw/zinc/61/18/90/573611890.db2.gz	TZVWRWLLIBYZBL-KOLCDFICSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)(C)SCc1ccncc1	96334751	573612386	/nfs/dbraw/zinc/61/23/86/573612386.db2.gz	JNZPQVNBWRBPEQ-UHFFFAOYSA-N	0	0	181.304	3.113	10	0		AGAERN
Cc1cc(F)cc2c3c([nH]c12)CCC3	83729092	573612398	/nfs/dbraw/zinc/61/23/98/573612398.db2.gz	SMGZOKAPLGBLBY-UHFFFAOYSA-N	0	0	189.233	3.104	10	0		AGAERN
Cc1[nH]c2c(F)cc(F)cc2c1C	83728794	573612421	/nfs/dbraw/zinc/61/24/21/573612421.db2.gz	ICMCZTBIKRTARS-UHFFFAOYSA-N	0	0	181.185	3.063	10	0		AGAERN
CCc1[nH]c2c(F)cc(F)cc2c1C	83728785	573612817	/nfs/dbraw/zinc/61/28/17/573612817.db2.gz	HYKJNFWTRQGZAO-UHFFFAOYSA-N	0	0	195.212	3.317	10	0		AGAERN
CCc1[nH]c2c(OC)cccc2c1C	83729033	573612697	/nfs/dbraw/zinc/61/26/97/573612697.db2.gz	MYUFLQAXOLKJMY-UHFFFAOYSA-N	0	0	189.258	3.047	10	0		AGAERN
Cc1[nH]c2c(C)cc(F)cc2c1C	83729087	573612738	/nfs/dbraw/zinc/61/27/38/573612738.db2.gz	PSHFNRQRZQERRD-UHFFFAOYSA-N	0	0	177.222	3.232	10	0		AGAERN
C/C=C/CCNc1nc(CC)cs1	130596775	573612868	/nfs/dbraw/zinc/61/28/68/573612868.db2.gz	WHGISVAVOSMCEQ-HWKANZROSA-N	0	0	196.319	3.084	10	0		AGAERN
Cc1cccc2c1C(C)(C)CC[C@@H]2O	238449207	573613896	/nfs/dbraw/zinc/61/38/96/573613896.db2.gz	TYSGCAISJVUBTD-NSHDSACASA-N	0	0	190.286	3.100	10	0		AGAERN
C[C@@H]1C=C2CCCC(=O)[C@]2(C)CC1	238449870	573614731	/nfs/dbraw/zinc/61/47/31/573614731.db2.gz	KEZGZBXRROMXND-JOYOIKCWSA-N	0	0	178.275	3.102	10	0		AGAERN
CCCn1ccnc1S[C@@H](C)CC	308406156	573614799	/nfs/dbraw/zinc/61/47/99/573614799.db2.gz	JRWWBLSFKUEWPB-VIFPVBQESA-N	0	0	198.335	3.184	10	0		AGAERN
CCC[C@@H](Nc1cccnc1)C1CC1	126649975	573614999	/nfs/dbraw/zinc/61/49/99/573614999.db2.gz	RKRIOIZRVPZXDU-GFCCVEGCSA-N	0	0	190.290	3.072	10	0		AGAERN
CC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	96373611	573615248	/nfs/dbraw/zinc/61/52/48/573615248.db2.gz	MTQKTLLGMHGZKL-IJLUTSLNSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1cccc2c1C(C)(C)CC[C@H]2O	238450235	573617893	/nfs/dbraw/zinc/61/78/93/573617893.db2.gz	TYSGCAISJVUBTD-LLVKDONJSA-N	0	0	190.286	3.100	10	0		AGAERN
C[C@H]1CC(=O)CC2=CCCC[C@@]21C	238451211	573617987	/nfs/dbraw/zinc/61/79/87/573617987.db2.gz	WUFOBSDRUJXSEZ-JOYOIKCWSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	96373609	573618036	/nfs/dbraw/zinc/61/80/36/573618036.db2.gz	MTQKTLLGMHGZKL-QJPTWQEYSA-N	0	0	180.291	3.182	10	0		AGAERN
CC(C)c1cc2ccc(O)cc2o1	75566369	573618222	/nfs/dbraw/zinc/61/82/22/573618222.db2.gz	PYHODTCJONPTTA-UHFFFAOYSA-N	0	0	176.215	3.262	10	0		AGAERN
CC[C@@H]1c2c(F)cccc2N[C@H]1C	107459450	573620402	/nfs/dbraw/zinc/62/04/02/573620402.db2.gz	CQIXWQPCLOBGNV-YUMQZZPRSA-N	0	0	179.238	3.133	10	0		AGAERN
Cc1cc([C@@H]2C[C@@H]2C)cc(C)c1N	238451362	573619053	/nfs/dbraw/zinc/61/90/53/573619053.db2.gz	FHUHSYNESNYIHI-WRWORJQWSA-N	0	0	175.275	3.009	10	0		AGAERN
Cc1cccc2c1CCCCC[C@H]2O	238450249	573618827	/nfs/dbraw/zinc/61/88/27/573618827.db2.gz	KGNXUMBTUKZSFU-CYBMUJFWSA-N	0	0	190.286	3.145	10	0		AGAERN
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2C	238450546	573618924	/nfs/dbraw/zinc/61/89/24/573618924.db2.gz	RAZOOPPBJREFIS-BDAKNGLRSA-N	0	0	176.259	3.311	10	0		AGAERN
C[C@H]1CC(=O)CC=C2CCCC[C@@H]21	238451265	573619008	/nfs/dbraw/zinc/61/90/08/573619008.db2.gz	UNERITMYWCKHAN-JOYOIKCWSA-N	0	0	178.275	3.102	10	0		AGAERN
CCC(F)(F)c1cccc(NC)c1	259528389	573619681	/nfs/dbraw/zinc/61/96/81/573619681.db2.gz	QBZRCISCVPBULZ-UHFFFAOYSA-N	0	0	185.217	3.230	10	0		AGAERN
C[C@H]1CC(=O)CC=C2CCCC[C@H]21	238451254	573619687	/nfs/dbraw/zinc/61/96/87/573619687.db2.gz	UNERITMYWCKHAN-CABZTGNLSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@@H]1CC[C@H](C2CCCCC2)[C@@H](O)C1	238450672	573619889	/nfs/dbraw/zinc/61/98/89/573619889.db2.gz	ISUDSPOVXGVNCQ-RTXFEEFZSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@H]1CCC[C@@H](O)c2ccccc21	238451173	573620040	/nfs/dbraw/zinc/62/00/40/573620040.db2.gz	AUKXWMUFCNWEQB-JOYOIKCWSA-N	0	0	176.259	3.007	10	0		AGAERN
C/C=C/[C@H](C)[C@H](O)C1CCCCC1	211968955	573620463	/nfs/dbraw/zinc/62/04/63/573620463.db2.gz	QBQDUIWBKOTEHU-LMQNWZAKSA-N	0	0	182.307	3.140	10	0		AGAERN
COc1ccc(F)c2ccsc12	107459998	573620520	/nfs/dbraw/zinc/62/05/20/573620520.db2.gz	NCCDLHNJZFEWBG-UHFFFAOYSA-N	0	0	182.219	3.049	10	0		AGAERN
CCCCc1cc(C)c(N)c(C)c1	142822353	573620555	/nfs/dbraw/zinc/62/05/55/573620555.db2.gz	HTUQWDUGEDFCGJ-UHFFFAOYSA-N	0	0	177.291	3.228	10	0		AGAERN
CSc1cc(C(C)C)ccc1N	142856666	573620741	/nfs/dbraw/zinc/62/07/41/573620741.db2.gz	XQRIJUCWNSYEEP-UHFFFAOYSA-N	0	0	181.304	3.114	10	0		AGAERN
CC(C)n1c(C=O)cc2ccccc21	107461739	573621266	/nfs/dbraw/zinc/62/12/66/573621266.db2.gz	ZHWMUUSJUYGILF-UHFFFAOYSA-N	0	0	187.242	3.035	10	0		AGAERN
Cc1cc(O)cc2c(C)cccc12	238452857	573623201	/nfs/dbraw/zinc/62/32/01/573623201.db2.gz	LORZJUHADSWDRT-UHFFFAOYSA-N	0	0	172.227	3.162	10	0		AGAERN
Cc1ccc(/C(Cl)=C/Cl)cn1	238452338	573623240	/nfs/dbraw/zinc/62/32/40/573623240.db2.gz	VWBTVNQZNZTDFS-YWEYNIOJSA-N	0	0	188.057	3.166	10	0		AGAERN
C/C=C/[C@@H](C)[C@H](O)C1CCCCC1	211968879	573623552	/nfs/dbraw/zinc/62/35/52/573623552.db2.gz	QBQDUIWBKOTEHU-ONRFKXHZSA-N	0	0	182.307	3.140	10	0		AGAERN
CC[C@@H]1c2ccc(F)cc2N[C@H]1C	107459443	573623617	/nfs/dbraw/zinc/62/36/17/573623617.db2.gz	FMYRTVPCMPMQCF-CBAPKCEASA-N	0	0	179.238	3.133	10	0		AGAERN
C[C@@H]1CCC(=O)[C@]2(C)CCCC[C@@H]12	142888325	573623823	/nfs/dbraw/zinc/62/38/23/573623823.db2.gz	DIKKGYYXCVILMU-JFGNBEQYSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@](C)(C(=O)C(C)C)C(C)C	238286899	573624460	/nfs/dbraw/zinc/62/44/60/573624460.db2.gz	CKAOFOVEPQXYNX-NSHDSACASA-N	0	0	170.296	3.284	10	0		AGAERN
CC[C@@H]1c2c(F)cccc2N[C@@H]1C	107459446	573624553	/nfs/dbraw/zinc/62/45/53/573624553.db2.gz	CQIXWQPCLOBGNV-SFYZADRCSA-N	0	0	179.238	3.133	10	0		AGAERN
CC(=O)c1ccc([C@@H]2C[C@@H]2C)cc1	238451408	573624683	/nfs/dbraw/zinc/62/46/83/573624683.db2.gz	PAVMDVMCJXKIAG-QPUJVOFHSA-N	0	0	174.243	3.013	10	0		AGAERN
CC[C@H](C)O[P@@](=O)(CC)CC=O	238287653	573624807	/nfs/dbraw/zinc/62/48/07/573624807.db2.gz	JNEMNDRMAFOWPW-VSVNLNQFSA-N	0	0	192.195	3.129	10	0		AGAERN
CC/C(=C/c1cccc(Cl)c1)CO	211966860	573624921	/nfs/dbraw/zinc/62/49/21/573624921.db2.gz	AQQZRPGSMVTFOD-TWGQIWQCSA-N	0	0	196.677	3.126	10	0		AGAERN
Nc1ccc(C2CCC(F)CC2)cc1	259533501	573626987	/nfs/dbraw/zinc/62/69/87/573626987.db2.gz	BIEXVYITEWIWGH-UHFFFAOYSA-N	0	0	193.265	3.265	10	0		AGAERN
CC(C)[C@@H]1c2ccc(F)cc2N[C@@H]1C	107463175	573626373	/nfs/dbraw/zinc/62/63/73/573626373.db2.gz	DZRDBHCOVXHBNI-PELKAZGASA-N	0	0	193.265	3.379	10	0		AGAERN
CCOC(=O)[C@H](C)[C@@H](C)C1CCCC1	259615982	573626391	/nfs/dbraw/zinc/62/63/91/573626391.db2.gz	FIAVTCSVIGTYIL-NXEZZACHSA-N	0	0	198.306	3.012	10	0		AGAERN
C[C@H]1CC[C@H](C)c2ccccc2N1	238453286	573626522	/nfs/dbraw/zinc/62/65/22/573626522.db2.gz	HTDWFEOOMAUIPB-UWVGGRQHSA-N	0	0	175.275	3.384	10	0		AGAERN
Cc1ccc(COC(C)C)c(C)c1	96541961	573626544	/nfs/dbraw/zinc/62/65/44/573626544.db2.gz	GFOIJSGAYKIBDC-UHFFFAOYSA-N	0	0	178.275	3.228	10	0		AGAERN
Cc1ccc(COCC(C)C)c(C)c1	96541964	573626675	/nfs/dbraw/zinc/62/66/75/573626675.db2.gz	JWYNKMVISPQPHQ-UHFFFAOYSA-N	0	0	192.302	3.476	10	0		AGAERN
CC(C)[C@H]1c2ccc(F)cc2N[C@@H]1C	107463179	573626869	/nfs/dbraw/zinc/62/68/69/573626869.db2.gz	DZRDBHCOVXHBNI-PRHODGIISA-N	0	0	193.265	3.379	10	0		AGAERN
CCOC(=O)[C@@H](C)[C@H](C)C1CCCC1	259615988	573628074	/nfs/dbraw/zinc/62/80/74/573628074.db2.gz	FIAVTCSVIGTYIL-UWVGGRQHSA-N	0	0	198.306	3.012	10	0		AGAERN
CCc1oc2ccc(C)cc2c1C=O	75578528	573627914	/nfs/dbraw/zinc/62/79/14/573627914.db2.gz	KEAOAHVPBFHODX-UHFFFAOYSA-N	0	0	188.226	3.116	10	0		AGAERN
CC(C)Oc1ccc(SO)cc1	259133314	573627964	/nfs/dbraw/zinc/62/79/64/573627964.db2.gz	DBZZEVHAFPKYOO-UHFFFAOYSA-N	0	0	184.260	3.039	10	0		AGAERN
CCS[C@H](C)c1ccccc1O	75576126	573629676	/nfs/dbraw/zinc/62/96/76/573629676.db2.gz	MAKDWRWZAMSWHQ-MRVPVSSYSA-N	0	0	182.288	3.206	10	0		AGAERN
O[C@H](c1ccoc1)C1CCCCCC1	83779300	573629690	/nfs/dbraw/zinc/62/96/90/573629690.db2.gz	XBKRQIORSYSZMF-LBPRGKRZSA-N	0	0	194.274	3.283	10	0		AGAERN
CCC[C@H]1C[C@@]1(O)c1cscc1C	86817022	573629693	/nfs/dbraw/zinc/62/96/93/573629693.db2.gz	SBNQKMRJCDLXBE-ONGXEEELSA-N	0	0	196.315	3.064	10	0		AGAERN
CC(C)C[C@H](O)C1CCCCCC1	83779271	573629701	/nfs/dbraw/zinc/62/97/01/573629701.db2.gz	MSRRSURNBVMZPC-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1cc(C)c2c(c1)C(=O)CC[C@@H]2C	96551194	573630512	/nfs/dbraw/zinc/63/05/12/573630512.db2.gz	UMPKAWUBUCUPRT-VIFPVBQESA-N	0	0	188.270	3.383	10	0		AGAERN
C[C@@H]1CC[C@H](c2nccc(Cl)n2)C1	83783251	573630571	/nfs/dbraw/zinc/63/05/71/573630571.db2.gz	BPBKJJWDRHMDBY-SFYZADRCSA-N	0	0	196.681	3.034	10	0		AGAERN
Oc1cccc2oc3c(c12)CCCC3	75578471	573631321	/nfs/dbraw/zinc/63/13/21/573631321.db2.gz	SPVSRSKMSMLTEP-UHFFFAOYSA-N	0	0	188.226	3.017	10	0		AGAERN
CC(C)[C@@H]1c2ccccc2N[C@@H]1C	224458811	573630586	/nfs/dbraw/zinc/63/05/86/573630586.db2.gz	GXZBAVYYTINYSE-SKDRFNHKSA-N	0	0	175.275	3.240	10	0		AGAERN
CC(C)(C)[C@@H](O)C1CCCCCC1	83779298	573630595	/nfs/dbraw/zinc/63/05/95/573630595.db2.gz	YAGZRKXHEOFASK-NSHDSACASA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)C1CCC(C(=O)C2CC2)CC1	83780217	573630635	/nfs/dbraw/zinc/63/06/35/573630635.db2.gz	ORHBPOFXBYVMSM-UHFFFAOYSA-N	0	0	194.318	3.428	10	0		AGAERN
CC1(C)CCC([C@@H](O)CC2CC2)CC1	83778669	573630762	/nfs/dbraw/zinc/63/07/62/573630762.db2.gz	ZURDTILVQDAGFH-LBPRGKRZSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)[C@@H]1c2ccc(F)cc2N[C@H]1C	107463176	573630822	/nfs/dbraw/zinc/63/08/22/573630822.db2.gz	DZRDBHCOVXHBNI-UFBFGSQYSA-N	0	0	193.265	3.379	10	0		AGAERN
C[C@H]1CC[C@H](c2nccc(Cl)n2)C1	83783252	573630833	/nfs/dbraw/zinc/63/08/33/573630833.db2.gz	BPBKJJWDRHMDBY-YUMQZZPRSA-N	0	0	196.681	3.034	10	0		AGAERN
CC[C@H](O)C1CCC(C(C)C)CC1	83780481	573630842	/nfs/dbraw/zinc/63/08/42/573630842.db2.gz	CEOUOGWMLNECCI-MCIGGMRASA-N	0	0	184.323	3.220	10	0		AGAERN
CCCC(=O)C1CCCCCC1	83779139	573630862	/nfs/dbraw/zinc/63/08/62/573630862.db2.gz	IRXOOVWQEWVNFS-UHFFFAOYSA-N	0	0	168.280	3.326	10	0		AGAERN
CC(C)C(=O)C1CCC(C)(C)CC1	83778551	573630958	/nfs/dbraw/zinc/63/09/58/573630958.db2.gz	MSJAAWDIECXGPQ-UHFFFAOYSA-N	0	0	182.307	3.428	10	0		AGAERN
Cc1ccc(COC(F)F)c(C)c1	96542101	573630969	/nfs/dbraw/zinc/63/09/69/573630969.db2.gz	DYNMDKGFSWXONO-UHFFFAOYSA-N	0	0	186.201	3.043	10	0		AGAERN
Cc1cccc2c(O)ccc(N=O)c12	238454777	573631017	/nfs/dbraw/zinc/63/10/17/573631017.db2.gz	ZFHPKXYMHITNCT-UHFFFAOYSA-N	0	0	187.198	3.252	10	0		AGAERN
O[C@@H](c1ccoc1)C1CCCCCC1	83779299	573631034	/nfs/dbraw/zinc/63/10/34/573631034.db2.gz	XBKRQIORSYSZMF-GFCCVEGCSA-N	0	0	194.274	3.283	10	0		AGAERN
CC1(C)CCC([C@H](O)CC2CC2)CC1	83778668	573631069	/nfs/dbraw/zinc/63/10/69/573631069.db2.gz	ZURDTILVQDAGFH-GFCCVEGCSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@H]1CC[C@](C)(c2ccc(O)cc2)C1	238459985	573631215	/nfs/dbraw/zinc/63/12/15/573631215.db2.gz	WUBGSFVREDWYDK-GWCFXTLKSA-N	0	0	190.286	3.470	10	0		AGAERN
COc1cc2cc[nH]c2cc1C(C)C	257835069	573633321	/nfs/dbraw/zinc/63/33/21/573633321.db2.gz	KNZOINMCKYUCAJ-UHFFFAOYSA-N	0	0	189.258	3.300	10	0		AGAERN
Cc1ccc(C)c2c(O)ccc(C)c12	238459176	573632933	/nfs/dbraw/zinc/63/29/33/573632933.db2.gz	ZUQMXUWNBSFXHU-UHFFFAOYSA-N	0	0	186.254	3.471	10	0		AGAERN
C[C@@H]1CC[C@H]([C@H](O)CC2CCCC2)C1	83785503	573633085	/nfs/dbraw/zinc/63/30/85/573633085.db2.gz	PAGCSADZRFCIAV-KGYLQXTDSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@](C)(F)C(=O)CCC(C)C	238292035	573633132	/nfs/dbraw/zinc/63/31/32/573633132.db2.gz	FFNRWKKTGZPXRP-SNVBAGLBSA-N	0	0	174.259	3.130	10	0		AGAERN
C[C@@H]1CC[C@@H]([C@H](O)c2ccccc2)C1	83786430	573633164	/nfs/dbraw/zinc/63/31/64/573633164.db2.gz	HNRSBJFKLMNYSH-RAIGVLPGSA-N	0	0	190.286	3.156	10	0		AGAERN
C[Si]1(C)CCCC[C@@H](O)CCC1	238459759	573633193	/nfs/dbraw/zinc/63/31/93/573633193.db2.gz	HKRGWHPXYWILLH-SNVBAGLBSA-N	0	0	186.371	3.020	10	0		AGAERN
CCCOc1ccc2c(c1)CCCC2	96586565	573633208	/nfs/dbraw/zinc/63/32/08/573633208.db2.gz	QZQGDOQCXXFFPF-UHFFFAOYSA-N	0	0	190.286	3.354	10	0		AGAERN
C[C@@H]1CC[C@H]([C@H](O)c2cccs2)C1	83785791	573633220	/nfs/dbraw/zinc/63/32/20/573633220.db2.gz	RUCIODJOZRDFDP-YWVKMMECSA-N	0	0	196.315	3.218	10	0		AGAERN
C[C@@H]1CC[C@@H](C(=O)c2ccccc2)C1	83785046	573633234	/nfs/dbraw/zinc/63/32/34/573633234.db2.gz	ZHMZVFATAVLKEW-ZYHUDNBSSA-N	0	0	188.270	3.306	10	0		AGAERN
COc1c(C(C)C)cc(C)c(C)c1N	257835081	573633244	/nfs/dbraw/zinc/63/32/44/573633244.db2.gz	KOSMVHFTFCFRJN-UHFFFAOYSA-N	0	0	193.290	3.018	10	0		AGAERN
C[C@H]1CC[C@@H](C(=O)C(C)(C)C)C1	83784307	573633327	/nfs/dbraw/zinc/63/33/27/573633327.db2.gz	LWVAXPHUQYALCJ-DTWKUNHWSA-N	0	0	168.280	3.038	10	0		AGAERN
Oc1cccc2ccc3c(c12)CCCC3	238689433	573633369	/nfs/dbraw/zinc/63/33/69/573633369.db2.gz	YLPLNKFMAMDFEP-UHFFFAOYSA-N	0	0	198.265	3.424	10	0		AGAERN
COc1cccc2c1[C@@H](C)C[C@H](C)N2	258074558	573633370	/nfs/dbraw/zinc/63/33/70/573633370.db2.gz	UVDFAMFCDXFJAB-IUCAKERBSA-N	0	0	191.274	3.003	10	0		AGAERN
CC(=O)c1cccc2c1[C@@H](C)[C@@H]2C	238459756	573633498	/nfs/dbraw/zinc/63/34/98/573633498.db2.gz	GKBKAAGQSVOEDO-YUMQZZPRSA-N	0	0	174.243	3.110	10	0		AGAERN
Oc1ccc([C@@H](C(F)F)C2CC2)cc1	258073275	573633522	/nfs/dbraw/zinc/63/35/22/573633522.db2.gz	LRCKXVGBTFFKFI-JTQLQIEISA-N	0	0	198.212	3.151	10	0		AGAERN
Cc1oc2c(C)ccc(O)c2c1C	238459474	573633525	/nfs/dbraw/zinc/63/35/25/573633525.db2.gz	MMTGWMCVSLPSBH-UHFFFAOYSA-N	0	0	176.215	3.064	10	0		AGAERN
CC1(C)CCc2sc(C=O)cc2C1	257835059	573633695	/nfs/dbraw/zinc/63/36/95/573633695.db2.gz	KNMVWQQOQHUBKR-UHFFFAOYSA-N	0	0	194.299	3.076	10	0		AGAERN
C[C@@H]1CC[C@@H]([C@H](O)c2ccsc2)C1	83786160	573633819	/nfs/dbraw/zinc/63/38/19/573633819.db2.gz	XOROAEZMRPZRBD-KKZNHRDASA-N	0	0	196.315	3.218	10	0		AGAERN
C[Si]1(C)CCCC[C@H](O)CCC1	238459795	573633832	/nfs/dbraw/zinc/63/38/32/573633832.db2.gz	HKRGWHPXYWILLH-JTQLQIEISA-N	0	0	186.371	3.020	10	0		AGAERN
Cc1cscc1[C@H](O)C1=CCCC1	86816524	573634018	/nfs/dbraw/zinc/63/40/18/573634018.db2.gz	RLYBRRXQILWHPW-LLVKDONJSA-N	0	0	194.299	3.200	10	0		AGAERN
C[C@H]1CC[C@H](C(=O)c2cccs2)C1	83784837	573634019	/nfs/dbraw/zinc/63/40/19/573634019.db2.gz	GIXWUMYNNFESAG-IUCAKERBSA-N	0	0	194.299	3.367	10	0		AGAERN
C[C@@H]1CC[C@@H](C(=O)C2CCCC2)C1	83784884	573634054	/nfs/dbraw/zinc/63/40/54/573634054.db2.gz	ZCAFPLVORAEQMO-MWLCHTKSSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@H]1CC[C@H](C(=O)c2ccsc2)C1	83784687	573635758	/nfs/dbraw/zinc/63/57/58/573635758.db2.gz	ZMMHWYFIPPKDGF-IUCAKERBSA-N	0	0	194.299	3.367	10	0		AGAERN
C[C@@H]1CC[C@H]([C@H](O)c2ccccc2)C1	83786426	573635171	/nfs/dbraw/zinc/63/51/71/573635171.db2.gz	HNRSBJFKLMNYSH-KGYLQXTDSA-N	0	0	190.286	3.156	10	0		AGAERN
CC(=O)c1coc2c(Cl)cccc12	96865882	573635214	/nfs/dbraw/zinc/63/52/14/573635214.db2.gz	CUJMTJLBUNSJFS-UHFFFAOYSA-N	0	0	194.617	3.289	10	0		AGAERN
C[C@H]1CC[C@@H](C(=O)c2cccs2)C1	83784846	573635258	/nfs/dbraw/zinc/63/52/58/573635258.db2.gz	GIXWUMYNNFESAG-DTWKUNHWSA-N	0	0	194.299	3.367	10	0		AGAERN
CC(C)CC(=O)[C@H]1CC[C@H](C)C1	83784324	573635266	/nfs/dbraw/zinc/63/52/66/573635266.db2.gz	BGYWIOYWENUARJ-UWVGGRQHSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@@H]1CC[C@H](C(=O)c2cccs2)C1	83784835	573635301	/nfs/dbraw/zinc/63/53/01/573635301.db2.gz	GIXWUMYNNFESAG-BDAKNGLRSA-N	0	0	194.299	3.367	10	0		AGAERN
CCCCC/C=C/[C@H](O)C=C(F)F	135885037	573635340	/nfs/dbraw/zinc/63/53/40/573635340.db2.gz	LNQSIJWVOWDEDS-UCUJLANTSA-N	0	0	190.233	3.264	10	0		AGAERN
C[C@@H]1C=C2CCCC(=O)[C@@]2(C)CC1	238461026	573635398	/nfs/dbraw/zinc/63/53/98/573635398.db2.gz	KEZGZBXRROMXND-CABZTGNLSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)CC(=O)[C@@H]1CC[C@@H](C)C1	83784326	573635530	/nfs/dbraw/zinc/63/55/30/573635530.db2.gz	BGYWIOYWENUARJ-NXEZZACHSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@@H]1CC[C@@H](C(=O)c2ccsc2)C1	83784689	573635548	/nfs/dbraw/zinc/63/55/48/573635548.db2.gz	ZMMHWYFIPPKDGF-RKDXNWHRSA-N	0	0	194.299	3.367	10	0		AGAERN
C[C@@H]1CC[C@H]([C@H](O)C2CCCCC2)C1	83785551	573635555	/nfs/dbraw/zinc/63/55/55/573635555.db2.gz	CTUXLZWIOFKYJN-KGYLQXTDSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@@H]1CC[C@H](C(=O)c2ccccc2)C1	83785042	573635845	/nfs/dbraw/zinc/63/58/45/573635845.db2.gz	ZHMZVFATAVLKEW-PWSUYJOCSA-N	0	0	188.270	3.306	10	0		AGAERN
CC/C(=C/CO)c1ccc(Cl)cc1	258073135	573635655	/nfs/dbraw/zinc/63/56/55/573635655.db2.gz	LOWPGHJISQSKOD-CLFYSBASSA-N	0	0	196.677	3.126	10	0		AGAERN
CC[C@@H]1CC[C@H](C(=O)c2ccoc2)C1	83793011	573637156	/nfs/dbraw/zinc/63/71/56/573637156.db2.gz	LVHPQMWVWCJUAU-ZJUUUORDSA-N	0	0	192.258	3.289	10	0		AGAERN
C[C@H]1CC(C)(C)CC(C)(C)C1=O	238460492	573637159	/nfs/dbraw/zinc/63/71/59/573637159.db2.gz	SQHQZAGLUBNFHM-QMMMGPOBSA-N	0	0	168.280	3.038	10	0		AGAERN
Clc1csc(C2CCCC2)n1	259144831	573637166	/nfs/dbraw/zinc/63/71/66/573637166.db2.gz	DDEAYIOOXIUYOU-UHFFFAOYSA-N	0	0	187.695	3.454	10	0		AGAERN
Oc1ccccc1Cc1ccsc1	75579918	573636681	/nfs/dbraw/zinc/63/66/81/573636681.db2.gz	AEZZFEITTWDBGU-UHFFFAOYSA-N	0	0	190.267	3.045	10	0		AGAERN
Cc1ccc(N)c([C@H]2CCCS2)c1	75581498	573636719	/nfs/dbraw/zinc/63/67/19/573636719.db2.gz	CFNYGEWCDPVQPI-LLVKDONJSA-N	0	0	193.315	3.145	10	0		AGAERN
CC[C@H]1CC[C@H](C(=O)c2ccco2)C1	83798049	573636875	/nfs/dbraw/zinc/63/68/75/573636875.db2.gz	FHNCIOSXNYEUMJ-UWVGGRQHSA-N	0	0	192.258	3.289	10	0		AGAERN
C[C@@H]1C=C2CC(=O)CC[C@@]2(C)CC1	238461108	573636882	/nfs/dbraw/zinc/63/68/82/573636882.db2.gz	WWNJHIPSACMTAG-JOYOIKCWSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@@H]1CC[C@H]([C@H](O)c2ccoc2)C1	83799554	573637078	/nfs/dbraw/zinc/63/70/78/573637078.db2.gz	KMZDLXXJQKNBFG-SCVCMEIPSA-N	0	0	194.274	3.139	10	0		AGAERN
CC[C@@H]1CC[C@H](C(=O)C(C)(C)C)C1	83792977	573639712	/nfs/dbraw/zinc/63/97/12/573639712.db2.gz	DQOAJNXMNTWZFZ-ZJUUUORDSA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@H]1CC(C)(C)c2cccc(O)c21	238463088	573642745	/nfs/dbraw/zinc/64/27/45/573642745.db2.gz	MSGCHIOTHVMQCX-QMMMGPOBSA-N	0	0	176.259	3.177	10	0		AGAERN
Cc1cc2cc(O)ccc2n1C(C)C	257844932	573640037	/nfs/dbraw/zinc/64/00/37/573640037.db2.gz	NIJQBBSXLXRFTA-UHFFFAOYSA-N	0	0	189.258	3.236	10	0		AGAERN
CC[C@H]1CC[C@@H](C(=O)c2ccco2)C1	83798056	573639364	/nfs/dbraw/zinc/63/93/64/573639364.db2.gz	FHNCIOSXNYEUMJ-VHSXEESVSA-N	0	0	192.258	3.289	10	0		AGAERN
O=Cc1sccc1-c1ccsc1	75596831	573639427	/nfs/dbraw/zinc/63/94/27/573639427.db2.gz	YFRKRIOPDKHSPI-UHFFFAOYSA-N	0	0	194.280	3.289	10	0		AGAERN
C[C@H]1CC[C@@]2(CC=CCC2)C(=O)C1	238461389	573639592	/nfs/dbraw/zinc/63/95/92/573639592.db2.gz	NTKQLLXPBSUBRF-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@@H]1CC[C@@H]([C@H](O)C2CCCC2)C1	83798896	573639744	/nfs/dbraw/zinc/63/97/44/573639744.db2.gz	CWBGBBUHHKERLG-RAIGVLPGSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1ccc(C=O)c(C(C)(C)C)c1	238462022	573639799	/nfs/dbraw/zinc/63/97/99/573639799.db2.gz	GQLFIERLHXXNRV-UHFFFAOYSA-N	0	0	176.259	3.105	10	0		AGAERN
CC[C@@H]1CC[C@@H](C(=O)C(C)C)C1	83797762	573639843	/nfs/dbraw/zinc/63/98/43/573639843.db2.gz	BFQNAEYMGRRIQS-NXEZZACHSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@@H]1CC[C@H]([C@H](O)C(C)(C)C)C1	83799529	573639859	/nfs/dbraw/zinc/63/98/59/573639859.db2.gz	OAKYUCIMQDCMPU-VWYCJHECSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1c(O)cc2c(c1C)CC[C@H](C)C2	238462057	573639881	/nfs/dbraw/zinc/63/98/81/573639881.db2.gz	ACDAJVRYEKMUJW-QMMMGPOBSA-N	0	0	190.286	3.134	10	0		AGAERN
CC[C@@H]1CC[C@@H](C(=O)c2ccco2)C1	83798052	573639893	/nfs/dbraw/zinc/63/98/93/573639893.db2.gz	FHNCIOSXNYEUMJ-NXEZZACHSA-N	0	0	192.258	3.289	10	0		AGAERN
Cc1ccc2sc([C@@H](C)O)cc2c1	257839661	573642778	/nfs/dbraw/zinc/64/27/78/573642778.db2.gz	BLSLTSVTICPIHK-MRVPVSSYSA-N	0	0	192.283	3.263	10	0		AGAERN
CC[C@@H]1CC[C@H](C(=O)C(C)C)C1	83797757	573641112	/nfs/dbraw/zinc/64/11/12/573641112.db2.gz	BFQNAEYMGRRIQS-ZJUUUORDSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@H]1CC[C@@H](C(=O)C(C)(C)C)C1	83792985	573641125	/nfs/dbraw/zinc/64/11/25/573641125.db2.gz	DQOAJNXMNTWZFZ-VHSXEESVSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)c1cc2ncccc2cc1O	149197255	573641263	/nfs/dbraw/zinc/64/12/63/573641263.db2.gz	YCDQGLQLGNVSOD-UHFFFAOYSA-N	0	0	187.242	3.064	10	0		AGAERN
CC[C@@H]1CC[C@@H]([C@H](O)C(C)(C)C)C1	83799535	573641361	/nfs/dbraw/zinc/64/13/61/573641361.db2.gz	OAKYUCIMQDCMPU-MXWKQRLJSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@@H]1[C@H](O)CCC12CCCCCC2	238461532	573641384	/nfs/dbraw/zinc/64/13/84/573641384.db2.gz	RBYJOPUVTYLSIP-GHMZBOCLSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@@H](CCC(C)(C)C)C(=O)OC	259538530	573642829	/nfs/dbraw/zinc/64/28/29/573642829.db2.gz	SHRLWWPEUCQMNX-VIFPVBQESA-N	0	0	186.295	3.012	10	0		AGAERN
Cc1cc([C@@H]2C[C@H]2C)cc(C)c1N	238461461	573641509	/nfs/dbraw/zinc/64/15/09/573641509.db2.gz	FHUHSYNESNYIHI-RDDDGLTNSA-N	0	0	175.275	3.009	10	0		AGAERN
Cc1ccc(-c2c[nH]c(C=O)c2)cc1C	259147698	573641512	/nfs/dbraw/zinc/64/15/12/573641512.db2.gz	JBMYYRKEVXMTFR-UHFFFAOYSA-N	0	0	199.253	3.111	10	0		AGAERN
CC[C@@H](C)CNc1ccncc1Cl	86833170	573641518	/nfs/dbraw/zinc/64/15/18/573641518.db2.gz	DLXFBYFEJHFIKI-MRVPVSSYSA-N	0	0	198.697	3.193	10	0		AGAERN
CC[C@H](CCC(C)(C)C)C(=O)OC	259538465	573641601	/nfs/dbraw/zinc/64/16/01/573641601.db2.gz	SHRLWWPEUCQMNX-SECBINFHSA-N	0	0	186.295	3.012	10	0		AGAERN
C[C@@H]1C[C@H]1C(=O)c1cccc(Cl)c1	83807019	573641757	/nfs/dbraw/zinc/64/17/57/573641757.db2.gz	BEXNUSWSAKHHAK-GMSGAONNSA-N	0	0	194.661	3.179	10	0		AGAERN
C[C@H]1C[C@@H]1C(=O)c1cccc(Cl)c1	83807017	573641911	/nfs/dbraw/zinc/64/19/11/573641911.db2.gz	BEXNUSWSAKHHAK-XVKPBYJWSA-N	0	0	194.661	3.179	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1C[C@@H]1C	83807107	573641966	/nfs/dbraw/zinc/64/19/66/573641966.db2.gz	RVCVDVZZQFIOAV-WHOHXGKFSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@@H]1CCCC[C@H](CCO)C1(C)C	238462683	573642224	/nfs/dbraw/zinc/64/22/24/573642224.db2.gz	FOKMQAVFSZLDRR-GHMZBOCLSA-N	0	0	184.323	3.221	10	0		AGAERN
Cc1c(Cl)cnc2c(F)cccc12	257838667	573642228	/nfs/dbraw/zinc/64/22/28/573642228.db2.gz	LKWMPAVJDADZOH-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
Cc1cc(C(C)(C)CCO)c(C)s1	86832274	573642257	/nfs/dbraw/zinc/64/22/57/573642257.db2.gz	BZEYKFCMWJAGJH-UHFFFAOYSA-N	0	0	198.331	3.025	10	0		AGAERN
C[C@H]1CC(C)(C)[C@@H]2C=CC=C12	238462718	573642264	/nfs/dbraw/zinc/64/22/64/573642264.db2.gz	PWFOALAVZXLDJW-WCBMZHEXSA-N	0	0	148.249	3.165	10	0		AGAERN
Nc1cc(O)ccc1C1CCCCC1	259541730	573642268	/nfs/dbraw/zinc/64/22/68/573642268.db2.gz	VKJCFZNGICJZDT-UHFFFAOYSA-N	0	0	191.274	3.022	10	0		AGAERN
Cc1cc(C)c2c(c1)[C@@H](O)CC2(C)C	86832623	573642464	/nfs/dbraw/zinc/64/24/64/573642464.db2.gz	NHWKJIUIIMIBJL-NSHDSACASA-N	0	0	190.286	3.018	10	0		AGAERN
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2C[C@@H]2C)C1	83806858	573642882	/nfs/dbraw/zinc/64/28/82/573642882.db2.gz	PUXMZSUEPDRASV-WHOHXGKFSA-N	0	0	194.318	3.428	10	0		AGAERN
Cc1c(C(F)F)ncc(F)c1Cl	238462937	573642599	/nfs/dbraw/zinc/64/25/99/573642599.db2.gz	CYKCMVOKTLAUDN-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
Cc1cccc(C(=O)[C@@H]2C[C@@H]2C)c1C	83807235	573642651	/nfs/dbraw/zinc/64/26/51/573642651.db2.gz	NEIZVVPZWYLQCD-JOYOIKCWSA-N	0	0	188.270	3.142	10	0		AGAERN
CCC1CCC(C(=O)[C@@H]2C[C@H]2C)CC1	83806300	573644531	/nfs/dbraw/zinc/64/45/31/573644531.db2.gz	CCKJKMNNBLGWOL-HBIQZDMRSA-N	0	0	194.318	3.428	10	0		AGAERN
Cc1cc(C=O)cc2ccc(F)cc12	238463521	573643661	/nfs/dbraw/zinc/64/36/61/573643661.db2.gz	KMKUOIUCMZCEJQ-UHFFFAOYSA-N	0	0	188.201	3.100	10	0		AGAERN
Cc1ccc(OCCC2CC2)cc1C	308654775	573643684	/nfs/dbraw/zinc/64/36/84/573643684.db2.gz	MWQZAQCKIGQFQA-UHFFFAOYSA-N	0	0	190.286	3.482	10	0		AGAERN
CCC1CCC(C(=O)[C@H]2C[C@H]2C)CC1	83806302	573643702	/nfs/dbraw/zinc/64/37/02/573643702.db2.gz	CCKJKMNNBLGWOL-YYJSSNLHSA-N	0	0	194.318	3.428	10	0		AGAERN
Cc1ccc(C)c2c1[C@H](O)CC2(C)C	86832624	573643810	/nfs/dbraw/zinc/64/38/10/573643810.db2.gz	BIEJNIXUENTNLD-SNVBAGLBSA-N	0	0	190.286	3.018	10	0		AGAERN
C[C@@H]1C[C@@H]1C(=O)c1cccc(Cl)c1	83807015	573643848	/nfs/dbraw/zinc/64/38/48/573643848.db2.gz	BEXNUSWSAKHHAK-XCBNKYQSSA-N	0	0	194.661	3.179	10	0		AGAERN
C[C@H]1C[C@H]1C(=O)c1cccc(Cl)c1	83807022	573643874	/nfs/dbraw/zinc/64/38/74/573643874.db2.gz	BEXNUSWSAKHHAK-OIBJUYFYSA-N	0	0	194.661	3.179	10	0		AGAERN
C[C@@H]1C[C@@H]1C(=O)c1ccccc1Cl	83806882	573643985	/nfs/dbraw/zinc/64/39/85/573643985.db2.gz	BJIFQUFABXWSNX-APPZFPTMSA-N	0	0	194.661	3.179	10	0		AGAERN
CC(C)(c1cccc(C=O)c1)C(F)F	257838841	573643997	/nfs/dbraw/zinc/64/39/97/573643997.db2.gz	JISLWVHJZKHEDD-UHFFFAOYSA-N	0	0	198.212	3.042	10	0		AGAERN
C[C@@H]1C[C@H]1C(=O)c1ccccc1Cl	83806885	573644187	/nfs/dbraw/zinc/64/41/87/573644187.db2.gz	BJIFQUFABXWSNX-VXNVDRBHSA-N	0	0	194.661	3.179	10	0		AGAERN
C=Cc1ccc2c(c1)CC[C@H](C)N2	238463149	573644233	/nfs/dbraw/zinc/64/42/33/573644233.db2.gz	LQRDTKDDFAJNCW-VIFPVBQESA-N	0	0	173.259	3.076	10	0		AGAERN
Cc1c(C(F)F)cnc(F)c1Cl	238462991	573644287	/nfs/dbraw/zinc/64/42/87/573644287.db2.gz	IMCXJKRCQLDYCG-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
C[C@H]1C[C@H]1C(=O)[C@H]1CCC[C@@H](C)C1	83807149	573644513	/nfs/dbraw/zinc/64/45/13/573644513.db2.gz	UTTBJYMJWJQTHW-VPOLOUISSA-N	0	0	180.291	3.038	10	0		AGAERN
CC[C@H](C)CNc1ccncc1Cl	86833171	573644774	/nfs/dbraw/zinc/64/47/74/573644774.db2.gz	DLXFBYFEJHFIKI-QMMMGPOBSA-N	0	0	198.697	3.193	10	0		AGAERN
C[C@@H](c1ccc(C=O)cc1)C1CCC1	259540893	573644883	/nfs/dbraw/zinc/64/48/83/573644883.db2.gz	BRZUBTPYUCXZQR-SNVBAGLBSA-N	0	0	188.270	3.403	10	0		AGAERN
CC(C)(c1ccc(C=O)cc1)C(F)F	257839451	573644893	/nfs/dbraw/zinc/64/48/93/573644893.db2.gz	JNBROSCWPLIGCF-UHFFFAOYSA-N	0	0	198.212	3.042	10	0		AGAERN
CCCC(=O)c1ccc(C)cc1F	107767388	573644969	/nfs/dbraw/zinc/64/49/69/573644969.db2.gz	HDNDUSCILHOVQS-UHFFFAOYSA-N	0	0	180.222	3.117	10	0		AGAERN
C[C@@]12CCCC1=Cc1ccccc1N2	238463938	573645013	/nfs/dbraw/zinc/64/50/13/573645013.db2.gz	GTQZDUYFBXHVSO-CYBMUJFWSA-N	0	0	185.270	3.438	10	0		AGAERN
Cc1ccc2sc([C@H](C)O)cc2c1	257839662	573645092	/nfs/dbraw/zinc/64/50/92/573645092.db2.gz	BLSLTSVTICPIHK-QMMMGPOBSA-N	0	0	192.283	3.263	10	0		AGAERN
Cc1cc(C=O)cc2ccsc12	238463557	573645207	/nfs/dbraw/zinc/64/52/07/573645207.db2.gz	ITNHFMGMWPNKDF-UHFFFAOYSA-N	0	0	176.240	3.022	10	0		AGAERN
Cc1cc(C)c2c(c1)[C@H](O)CC2(C)C	86832622	573645613	/nfs/dbraw/zinc/64/56/13/573645613.db2.gz	NHWKJIUIIMIBJL-LLVKDONJSA-N	0	0	190.286	3.018	10	0		AGAERN
Cc1cccc(C(=O)[C@H]2C[C@@H]2C)c1C	83807237	573645780	/nfs/dbraw/zinc/64/57/80/573645780.db2.gz	NEIZVVPZWYLQCD-CABZTGNLSA-N	0	0	188.270	3.142	10	0		AGAERN
Cc1c(O)cc2c(c1C)C[C@@H](C)CC2	238463385	573645971	/nfs/dbraw/zinc/64/59/71/573645971.db2.gz	ZJPLXQNUHDZRSA-QMMMGPOBSA-N	0	0	190.286	3.134	10	0		AGAERN
C=Cc1ccc2c(c1)N[C@@H](C)CC2	238463662	573645978	/nfs/dbraw/zinc/64/59/78/573645978.db2.gz	RCCDQVIVKAYYPJ-VIFPVBQESA-N	0	0	173.259	3.076	10	0		AGAERN
Cc1cc(O)cc2c1[C@@H](C)[C@@H](C)CC2	238463445	573646720	/nfs/dbraw/zinc/64/67/20/573646720.db2.gz	ITUIFFQWHYSVGC-WPRPVWTQSA-N	0	0	190.286	3.386	10	0		AGAERN
Cc1cc(C)c2c(c1O)CC[C@H](C)C2	238462706	573646216	/nfs/dbraw/zinc/64/62/16/573646216.db2.gz	XSQOYGAIKHSMQS-QMMMGPOBSA-N	0	0	190.286	3.134	10	0		AGAERN
Cc1ccc(C)c2c1[C@@H](O)CC2(C)C	86832625	573646723	/nfs/dbraw/zinc/64/67/23/573646723.db2.gz	BIEJNIXUENTNLD-JTQLQIEISA-N	0	0	190.286	3.018	10	0		AGAERN
Cc1cccc(C(=O)[C@H]2C[C@H]2C)c1C	83807241	573646277	/nfs/dbraw/zinc/64/62/77/573646277.db2.gz	NEIZVVPZWYLQCD-SKDRFNHKSA-N	0	0	188.270	3.142	10	0		AGAERN
CC1(C)C[C@@H](O)c2cc(Cl)ccc21	86832657	573646309	/nfs/dbraw/zinc/64/63/09/573646309.db2.gz	FIKIPIOIMXOSQW-SNVBAGLBSA-N	0	0	196.677	3.055	10	0		AGAERN
Nc1cccc([C@@H]2CC[C@H]2C(F)F)c1	257839562	573646414	/nfs/dbraw/zinc/64/64/14/573646414.db2.gz	BHVAGIYMQTYMJE-VHSXEESVSA-N	0	0	197.228	3.028	10	0		AGAERN
C=Cc1cccc2c1N[C@@H](C)CC2	238463994	573646417	/nfs/dbraw/zinc/64/64/17/573646417.db2.gz	AZTOINDPTOTUNV-VIFPVBQESA-N	0	0	173.259	3.076	10	0		AGAERN
Cc1cc(O)cc2c1[C@H](C)[C@@H](C)CC2	238463428	573646433	/nfs/dbraw/zinc/64/64/33/573646433.db2.gz	ITUIFFQWHYSVGC-WCBMZHEXSA-N	0	0	190.286	3.386	10	0		AGAERN
CC1(C)CCCC[C@H]1Nn1cccc1	86846001	573646491	/nfs/dbraw/zinc/64/64/91/573646491.db2.gz	HQLMLCWJMRCXSW-LLVKDONJSA-N	0	0	192.306	3.000	10	0		AGAERN
CC1(C)C[C@H](O)c2cc(Cl)ccc21	86832656	573646498	/nfs/dbraw/zinc/64/64/98/573646498.db2.gz	FIKIPIOIMXOSQW-JTQLQIEISA-N	0	0	196.677	3.055	10	0		AGAERN
CCC1CCC(C(=O)[C@H]2C[C@@H]2C)CC1	83806298	573646554	/nfs/dbraw/zinc/64/65/54/573646554.db2.gz	CCKJKMNNBLGWOL-XKGSQUFQSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@H]1C[C@H]1C(=O)c1ccccc1Cl	83806887	573646578	/nfs/dbraw/zinc/64/65/78/573646578.db2.gz	BJIFQUFABXWSNX-IONNQARKSA-N	0	0	194.661	3.179	10	0		AGAERN
Cc1ccc(C)c2c1C(=O)CC2(C)C	86832473	573646612	/nfs/dbraw/zinc/64/66/12/573646612.db2.gz	MDEXPRSSTUKHJZ-UHFFFAOYSA-N	0	0	188.270	3.167	10	0		AGAERN
CCC1CCC(C(=O)[C@@H]2C[C@@H]2C)CC1	83806296	573646811	/nfs/dbraw/zinc/64/68/11/573646811.db2.gz	CCKJKMNNBLGWOL-WNYYMSAVSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)[C@@](C)(F)c1cccc(N)c1	259540977	573646821	/nfs/dbraw/zinc/64/68/21/573646821.db2.gz	BSLGYSZFQGCKAM-LLVKDONJSA-N	0	0	181.254	3.110	10	0		AGAERN
CC1(C)CCCC[C@@H]1Nn1cccc1	86845998	573647032	/nfs/dbraw/zinc/64/70/32/573647032.db2.gz	HQLMLCWJMRCXSW-NSHDSACASA-N	0	0	192.306	3.000	10	0		AGAERN
C[C@@H]1C[C@@H]1[C@H](O)c1cccc(Cl)c1	83807608	573648088	/nfs/dbraw/zinc/64/80/88/573648088.db2.gz	RYRGHROCKNTIDJ-PPKCKEKNSA-N	0	0	196.677	3.029	10	0		AGAERN
CC(C)[C@@H](O)[C@H]1CCCCC1(C)C	86849600	573648147	/nfs/dbraw/zinc/64/81/47/573648147.db2.gz	VHMVGCSTDQSLLI-GHMZBOCLSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H](C)[C@@]1(O)CCCCC1(C)C	86849435	573648163	/nfs/dbraw/zinc/64/81/63/573648163.db2.gz	GZWOEHHWKZUCTP-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
Nc1ccc([C@@H](C(F)F)C2CC2)cc1	257840716	573648177	/nfs/dbraw/zinc/64/81/77/573648177.db2.gz	BPTGBMSQMHJDBM-JTQLQIEISA-N	0	0	197.228	3.028	10	0		AGAERN
Nc1ccc([C@H](C(F)F)C2CC2)cc1	257840717	573648241	/nfs/dbraw/zinc/64/82/41/573648241.db2.gz	BPTGBMSQMHJDBM-SNVBAGLBSA-N	0	0	197.228	3.028	10	0		AGAERN
C[C@H]1C[C@@H]([C@H](O)[C@@H]2C[C@@H]2C)CC[C@H]1C	83808027	573648299	/nfs/dbraw/zinc/64/82/99/573648299.db2.gz	IFLFKTUSRNBXQZ-KQAFNVIJSA-N	0	0	196.334	3.076	10	0		AGAERN
CC[C@@H](C)[C@]1(O)CCCCC1(C)C	86849428	573648341	/nfs/dbraw/zinc/64/83/41/573648341.db2.gz	GZWOEHHWKZUCTP-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CC1(C)CCCC[C@@]1(O)c1ccco1	86849284	573648373	/nfs/dbraw/zinc/64/83/73/573648373.db2.gz	MIROPEKFSXOAQY-GFCCVEGCSA-N	0	0	194.274	3.067	10	0		AGAERN
CCCC(=O)c1cc(C)c(C)cc1F	107770575	573648464	/nfs/dbraw/zinc/64/84/64/573648464.db2.gz	QCKVNTRABKVFGJ-UHFFFAOYSA-N	0	0	194.249	3.425	10	0		AGAERN
C[C@@H](c1cccc(O)c1)C1CCC1	259543289	573651330	/nfs/dbraw/zinc/65/13/30/573651330.db2.gz	BZDUUSQWHDJFRV-SECBINFHSA-N	0	0	176.259	3.296	10	0		AGAERN
CC[C@@H]1CCC[C@H]([C@H](O)[C@@H]2C[C@@H]2C)C1	83807398	573651351	/nfs/dbraw/zinc/65/13/51/573651351.db2.gz	VJLBDVUQGXDXPN-OFTGVCEQSA-N	0	0	196.334	3.220	10	0		AGAERN
CC(C)C(=O)[C@H]1CCCCC1(C)C	86849341	573649389	/nfs/dbraw/zinc/64/93/89/573649389.db2.gz	RPLZHSUOCBAVHT-SNVBAGLBSA-N	0	0	182.307	3.428	10	0		AGAERN
CC1(C)CCCC[C@]1(O)c1ccoc1	86849021	573651355	/nfs/dbraw/zinc/65/13/55/573651355.db2.gz	KBEXIBJLVBYKJA-LBPRGKRZSA-N	0	0	194.274	3.067	10	0		AGAERN
Nc1c(F)cccc1CC1CCCC1	257840297	573649649	/nfs/dbraw/zinc/64/96/49/573649649.db2.gz	LWEPASLMYSTAEQ-UHFFFAOYSA-N	0	0	193.265	3.141	10	0		AGAERN
CCC[C@]1(O)CCCCC1(C)C	86849258	573649820	/nfs/dbraw/zinc/64/98/20/573649820.db2.gz	CEKADGSLYHSNMS-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
C[C@@]12CCC[C@H]1c1ccccc1N2	238465734	573649825	/nfs/dbraw/zinc/64/98/25/573649825.db2.gz	MMENPXDLPJALFM-CMPLNLGQSA-N	0	0	173.259	3.138	10	0		AGAERN
CC1(C)CCCC[C@@]1(O)c1ccoc1	86849023	573649833	/nfs/dbraw/zinc/64/98/33/573649833.db2.gz	KBEXIBJLVBYKJA-GFCCVEGCSA-N	0	0	194.274	3.067	10	0		AGAERN
C/C(=C\[C@H](O)C(C)(C)C)C(C)(C)C	238465664	573649835	/nfs/dbraw/zinc/64/98/35/573649835.db2.gz	VZQGVFQILHJGIX-DDXVTDLHSA-N	0	0	184.323	3.386	10	0		AGAERN
CC(C)(C)[C@@]1(O)CCCCC1(C)C	86849001	573650013	/nfs/dbraw/zinc/65/00/13/573650013.db2.gz	KTNIEUCLCSVVLV-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H]1[C@H](O)C[C@@H](C(C)(C)C)CC1(C)C	238466644	573650177	/nfs/dbraw/zinc/65/01/77/573650177.db2.gz	BYBDNIWFEOCVAZ-HBNTYKKESA-N	0	0	198.350	3.466	10	0		AGAERN
CCC1CCC([C@H](O)[C@H]2C[C@@H]2C)CC1	83807602	573650393	/nfs/dbraw/zinc/65/03/93/573650393.db2.gz	OHIGPIIMKBWIAN-JSPGJAJPSA-N	0	0	196.334	3.220	10	0		AGAERN
CCC[C@H](O)c1c(C)cccc1C	96868759	573650555	/nfs/dbraw/zinc/65/05/55/573650555.db2.gz	BSEILGMNSPAUGM-NSHDSACASA-N	0	0	178.275	3.137	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1[C@H](O)[C@@H]1C[C@@H]1C	83807992	573650659	/nfs/dbraw/zinc/65/06/59/573650659.db2.gz	IPISCJMXRXWIFZ-OFTGVCEQSA-N	0	0	196.334	3.220	10	0		AGAERN
CC1(C)CCCC[C@]1(O)c1ccco1	86849282	573650666	/nfs/dbraw/zinc/65/06/66/573650666.db2.gz	MIROPEKFSXOAQY-LBPRGKRZSA-N	0	0	194.274	3.067	10	0		AGAERN
C[C@H](c1cccc(O)c1)C1CCC1	259543291	573650873	/nfs/dbraw/zinc/65/08/73/573650873.db2.gz	BZDUUSQWHDJFRV-VIFPVBQESA-N	0	0	176.259	3.296	10	0		AGAERN
CC[C@@]1(C)Nc2cc(O)ccc2[C@H]1C	258075248	573650881	/nfs/dbraw/zinc/65/08/81/573650881.db2.gz	HECZSRUMFDDZHC-PRHODGIISA-N	0	0	191.274	3.090	10	0		AGAERN
CC(C)(C)[C@]1(O)CCCCC1(C)C	86849003	573650894	/nfs/dbraw/zinc/65/08/94/573650894.db2.gz	KTNIEUCLCSVVLV-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(=O)[C@@H]1CCCCC1(C)C	86849334	573650905	/nfs/dbraw/zinc/65/09/05/573650905.db2.gz	OLOKSSQSJGUCFK-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)C[C@@]1(O)CCCCC1(C)C	86849221	573651026	/nfs/dbraw/zinc/65/10/26/573651026.db2.gz	GRUNFTOJMNNHOI-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)[C@H](O)[C@H]1CCCCC1(C)C	86849598	573651042	/nfs/dbraw/zinc/65/10/42/573651042.db2.gz	VHMVGCSTDQSLLI-MNOVXSKESA-N	0	0	184.323	3.220	10	0		AGAERN
CC1CCC(C(=O)[C@H]2C[C@@H]2C)CC1	83807309	573651194	/nfs/dbraw/zinc/65/11/94/573651194.db2.gz	QRTRHXCAIODRHU-YIYTYNFBSA-N	0	0	180.291	3.038	10	0		AGAERN
CC[C@@]1(C)Nc2cc(O)ccc2[C@@H]1C	258075253	573652840	/nfs/dbraw/zinc/65/28/40/573652840.db2.gz	HECZSRUMFDDZHC-QPUJVOFHSA-N	0	0	191.274	3.090	10	0		AGAERN
CC(C)CCCCNc1ccccn1	96867192	573652226	/nfs/dbraw/zinc/65/22/26/573652226.db2.gz	PDSTXBFCGKZTKP-UHFFFAOYSA-N	0	0	192.306	3.320	10	0		AGAERN
Cc1ccc2c(c1)N[C@H](C)C[C@H]2C	238466523	573652430	/nfs/dbraw/zinc/65/24/30/573652430.db2.gz	DFESBQGBLTWVSC-NXEZZACHSA-N	0	0	175.275	3.303	10	0		AGAERN
Cc1c(Cl)ccc2c1C(=O)CCC2	238466149	573652500	/nfs/dbraw/zinc/65/25/00/573652500.db2.gz	PCAFGMKSKDLBRK-UHFFFAOYSA-N	0	0	194.661	3.167	10	0		AGAERN
CC(C)(C)[C@@H](CF)c1ccccc1N	257842058	573652831	/nfs/dbraw/zinc/65/28/31/573652831.db2.gz	BZXZECVPTGULCY-JTQLQIEISA-N	0	0	195.281	3.368	10	0		AGAERN
CC(=O)c1cccc([C@@H](C)C2CC2)c1	259543297	573653859	/nfs/dbraw/zinc/65/38/59/573653859.db2.gz	BZGPIFXYYIAAOP-VIFPVBQESA-N	0	0	188.270	3.403	10	0		AGAERN
CC[C@@H](O)c1ccc(C(F)F)cc1	96867661	573653682	/nfs/dbraw/zinc/65/36/82/573653682.db2.gz	WLOOLYVVILBXGQ-SECBINFHSA-N	0	0	186.201	3.068	10	0		AGAERN
Cc1ccc2c(c1)[C@H](O)C[C@H](C)[C@@H]2C	238458992	573653668	/nfs/dbraw/zinc/65/36/68/573653668.db2.gz	GAPZRFSDYLFKDB-OUJBWJOFSA-N	0	0	190.286	3.172	10	0		AGAERN
CCC[C@@H](O)c1c(C)cccc1C	96868760	573653736	/nfs/dbraw/zinc/65/37/36/573653736.db2.gz	BSEILGMNSPAUGM-LLVKDONJSA-N	0	0	178.275	3.137	10	0		AGAERN
CC(C)(C)[C@H](CF)c1ccccc1N	257842060	573653899	/nfs/dbraw/zinc/65/38/99/573653899.db2.gz	BZXZECVPTGULCY-SNVBAGLBSA-N	0	0	195.281	3.368	10	0		AGAERN
C[C@H](c1ccc(N)cc1)C1CCC1	259545381	573658093	/nfs/dbraw/zinc/65/80/93/573658093.db2.gz	CAKFYODBHQAEHO-VIFPVBQESA-N	0	0	175.275	3.172	10	0		AGAERN
CCNc1ccc(N=O)c(Cl)c1	144613789	573658025	/nfs/dbraw/zinc/65/80/25/573658025.db2.gz	NUKLWCASZPVGAY-UHFFFAOYSA-N	0	0	184.626	3.170	10	0		AGAERN
CC[C@@H](O)c1cc2cccc(F)c2o1	83815348	573658078	/nfs/dbraw/zinc/65/80/78/573658078.db2.gz	AZOFIPFYCUVKCL-SECBINFHSA-N	0	0	194.205	3.015	10	0		AGAERN
Cc1cc(C)c2cc(C=O)oc2c1C	83815188	573658942	/nfs/dbraw/zinc/65/89/42/573658942.db2.gz	ZVYPSJKISALLNC-UHFFFAOYSA-N	0	0	188.226	3.171	10	0		AGAERN
CCCC[C@@]1(O)CCCC1(C)C	86866978	573659923	/nfs/dbraw/zinc/65/99/23/573659923.db2.gz	UKSXLYYJNQGVTR-LLVKDONJSA-N	0	0	170.296	3.118	10	0		AGAERN
CC[C@H](C)C[C@]1(O)CCCC1(C)C	86867137	573659794	/nfs/dbraw/zinc/65/97/94/573659794.db2.gz	UVKHRNLMAASHDQ-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CC1(C)CCC[C@]1(O)C1CCCC1	86867350	573659801	/nfs/dbraw/zinc/65/98/01/573659801.db2.gz	BKKQQXXNOCFOKM-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@H](O)c1cc2cc(C)ccc2o1	83815369	573659829	/nfs/dbraw/zinc/65/98/29/573659829.db2.gz	TUFGTXGUUSKLAU-JTQLQIEISA-N	0	0	190.242	3.185	10	0		AGAERN
CCc1ccc2oc([C@@H](C)O)cc2c1	83819575	573659851	/nfs/dbraw/zinc/65/98/51/573659851.db2.gz	VHUPAVZJPKCYTR-MRVPVSSYSA-N	0	0	190.242	3.049	10	0		AGAERN
CCC[C@H](NOC(C)C)C1CCCC1	313405547	573659865	/nfs/dbraw/zinc/65/98/65/573659865.db2.gz	KICZMIYXRNPVIM-LBPRGKRZSA-N	0	0	199.338	3.275	10	0		AGAERN
CC[C@@H](O)c1cc2cccc(C)c2o1	83815382	573659875	/nfs/dbraw/zinc/65/98/75/573659875.db2.gz	CFCGKLWUEUIHCQ-SNVBAGLBSA-N	0	0	190.242	3.185	10	0		AGAERN
CC1(C)CCC[C@@]1(O)c1ccccc1	86867340	573659945	/nfs/dbraw/zinc/65/99/45/573659945.db2.gz	UGLYEBMRFWRLRK-CYBMUJFWSA-N	0	0	190.286	3.084	10	0		AGAERN
Cc1ccc(C)c2c1N[C@H]1CCC[C@@H]21	238472549	573660014	/nfs/dbraw/zinc/66/00/14/573660014.db2.gz	FBGBENQLJONCPX-MNOVXSKESA-N	0	0	187.286	3.365	10	0		AGAERN
CC1(C)CCC[C@@]1(O)c1cccs1	86867466	573660016	/nfs/dbraw/zinc/66/00/16/573660016.db2.gz	JBLYPOVVPUTQFU-LLVKDONJSA-N	0	0	196.315	3.146	10	0		AGAERN
CC(C)CC[C@@]1(O)CCCC1(C)C	86867295	573660032	/nfs/dbraw/zinc/66/00/32/573660032.db2.gz	BHNZWJDTCFGCGH-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(=O)c1cc2c(C)ccc(F)c2o1	83815325	573660051	/nfs/dbraw/zinc/66/00/51/573660051.db2.gz	JFHYNAHALLGEFN-UHFFFAOYSA-N	0	0	192.189	3.083	10	0		AGAERN
CCc1ccc2oc([C@H](C)O)cc2c1	83819577	573660191	/nfs/dbraw/zinc/66/01/91/573660191.db2.gz	VHUPAVZJPKCYTR-QMMMGPOBSA-N	0	0	190.242	3.049	10	0		AGAERN
CC1(C)CCc2sc(Cl)nc21	86867282	573660304	/nfs/dbraw/zinc/66/03/04/573660304.db2.gz	REJNJLORPJTAQW-UHFFFAOYSA-N	0	0	187.695	3.020	10	0		AGAERN
Cc1cc(C)c2cc([C@@H](C)O)oc2c1	83815424	573660305	/nfs/dbraw/zinc/66/03/05/573660305.db2.gz	NFVLUFPUCSELJI-SECBINFHSA-N	0	0	190.242	3.103	10	0		AGAERN
C[C@@H](CCC1CC1)Nc1cccnc1	308666164	573660306	/nfs/dbraw/zinc/66/03/06/573660306.db2.gz	SPFJSNHKRGVXFU-JTQLQIEISA-N	0	0	190.290	3.072	10	0		AGAERN
CSCc1coc2ccccc12	258852776	573660309	/nfs/dbraw/zinc/66/03/09/573660309.db2.gz	SPNLMXWFGWAUAH-UHFFFAOYSA-N	0	0	178.256	3.296	10	0		AGAERN
CCCC[C@]1(O)CCCC1(C)C	86866977	573660453	/nfs/dbraw/zinc/66/04/53/573660453.db2.gz	UKSXLYYJNQGVTR-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
Oc1ccc([C@@H]2CCC[C@H]2CF)cc1	259545747	573660518	/nfs/dbraw/zinc/66/05/18/573660518.db2.gz	CCJXRFIGYXEHFW-JQWIXIFHSA-N	0	0	194.249	3.245	10	0		AGAERN
CC1=N[C@H](C)c2cc(Cl)ccc2N1	238471709	573660536	/nfs/dbraw/zinc/66/05/36/573660536.db2.gz	RYBBCFVHRNIAEI-ZCFIWIBFSA-N	0	0	194.665	3.054	10	0		AGAERN
C[C@H](CCC1CC1)Nc1cccnc1	308666165	573660547	/nfs/dbraw/zinc/66/05/47/573660547.db2.gz	SPFJSNHKRGVXFU-SNVBAGLBSA-N	0	0	190.290	3.072	10	0		AGAERN
Cc1ccc(C)c2c1N[C@@H]1CCC[C@@H]21	238472567	573660592	/nfs/dbraw/zinc/66/05/92/573660592.db2.gz	FBGBENQLJONCPX-GHMZBOCLSA-N	0	0	187.286	3.365	10	0		AGAERN
Cc1ccc(O)c2c1[C@@H](C)CC=C2	238472418	573660604	/nfs/dbraw/zinc/66/06/04/573660604.db2.gz	DTOKOMZMRZRVIP-QMMMGPOBSA-N	0	0	174.243	3.221	10	0		AGAERN
CC[C@H](O)c1cc2cccc(C)c2o1	83815381	573660618	/nfs/dbraw/zinc/66/06/18/573660618.db2.gz	CFCGKLWUEUIHCQ-JTQLQIEISA-N	0	0	190.242	3.185	10	0		AGAERN
C[C@H](O)c1cc2cccc(Cl)c2o1	83815399	573660651	/nfs/dbraw/zinc/66/06/51/573660651.db2.gz	MVOHKWYJCIMWER-LURJTMIESA-N	0	0	196.633	3.140	10	0		AGAERN
CC[C@@H](O)c1cc2cc(F)ccc2o1	83815419	573660799	/nfs/dbraw/zinc/66/07/99/573660799.db2.gz	OHBXMMIJVVYGDN-SECBINFHSA-N	0	0	194.205	3.015	10	0		AGAERN
CC[C@@H](O)c1cc2cc(C)ccc2o1	83815370	573660813	/nfs/dbraw/zinc/66/08/13/573660813.db2.gz	TUFGTXGUUSKLAU-SNVBAGLBSA-N	0	0	190.242	3.185	10	0		AGAERN
C[C@@H](O)[C@@H](F)CC1CCCCCC1	257843361	573660840	/nfs/dbraw/zinc/66/08/40/573660840.db2.gz	MXXOZZDJDFVGIP-KOLCDFICSA-N	0	0	188.286	3.066	10	0		AGAERN
C[C@@H]1C[C@@H](n2cccn2)CC(C)(C)C1	238472007	573660938	/nfs/dbraw/zinc/66/09/38/573660938.db2.gz	BVNQMQGZLXRKPV-GHMZBOCLSA-N	0	0	192.306	3.270	10	0		AGAERN
CC[C@@H](C)C[C@]1(O)CCCC1(C)C	86867136	573660971	/nfs/dbraw/zinc/66/09/71/573660971.db2.gz	UVKHRNLMAASHDQ-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
Oc1ccc2scc(Cl)c2c1	107833071	573660985	/nfs/dbraw/zinc/66/09/85/573660985.db2.gz	BRTRTDSHSKTBPT-UHFFFAOYSA-N	0	0	184.647	3.260	10	0		AGAERN
C[C@@H](O)[C@H](F)CC1CCCCCC1	257843362	573661045	/nfs/dbraw/zinc/66/10/45/573661045.db2.gz	MXXOZZDJDFVGIP-MWLCHTKSSA-N	0	0	188.286	3.066	10	0		AGAERN
CC[C@@H](C)C[C@@]1(O)CCCC1(C)C	86867138	573661269	/nfs/dbraw/zinc/66/12/69/573661269.db2.gz	UVKHRNLMAASHDQ-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)c1cccc2cc(CO)oc12	83819595	573661368	/nfs/dbraw/zinc/66/13/68/573661368.db2.gz	XEYVQFVIIPZXHV-UHFFFAOYSA-N	0	0	190.242	3.049	10	0		AGAERN
CCC(=O)c1cc2cccc(C)c2o1	83815147	573661536	/nfs/dbraw/zinc/66/15/36/573661536.db2.gz	SHILMVAQDXXPJH-UHFFFAOYSA-N	0	0	188.226	3.334	10	0		AGAERN
CC(C)(C)[C@](C)(F)c1ccccc1N	257842997	573661582	/nfs/dbraw/zinc/66/15/82/573661582.db2.gz	CHHJATOOUAPODM-GFCCVEGCSA-N	0	0	195.281	3.500	10	0		AGAERN
Cc1ccc(C)c2oc([C@@H](C)O)cc12	83815480	573661712	/nfs/dbraw/zinc/66/17/12/573661712.db2.gz	DZKKBNUQQRYIED-SECBINFHSA-N	0	0	190.242	3.103	10	0		AGAERN
CC(C)C(=O)c1ccc2cc[nH]c2c1	107839647	573661814	/nfs/dbraw/zinc/66/18/14/573661814.db2.gz	XAXYEFJGIRPKNR-UHFFFAOYSA-N	0	0	187.242	3.007	10	0		AGAERN
CC1(C)CCC[C@]1(O)c1cccs1	86867465	573661846	/nfs/dbraw/zinc/66/18/46/573661846.db2.gz	JBLYPOVVPUTQFU-NSHDSACASA-N	0	0	196.315	3.146	10	0		AGAERN
C[C@H](O)[C@@H](F)CC1CCCCCC1	257843364	573661959	/nfs/dbraw/zinc/66/19/59/573661959.db2.gz	MXXOZZDJDFVGIP-ONGXEEELSA-N	0	0	188.286	3.066	10	0		AGAERN
CCC(=O)c1cc2cc(C)ccc2o1	83815145	573662001	/nfs/dbraw/zinc/66/20/01/573662001.db2.gz	RPUXSJPDPRXONQ-UHFFFAOYSA-N	0	0	188.226	3.334	10	0		AGAERN
CC(C)CC[C@]1(O)CCCC1(C)C	86867294	573662204	/nfs/dbraw/zinc/66/22/04/573662204.db2.gz	BHNZWJDTCFGCGH-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
Oc1ccc([C@H]2CCC[C@H]2CF)cc1	259545741	573662332	/nfs/dbraw/zinc/66/23/32/573662332.db2.gz	CCJXRFIGYXEHFW-CMPLNLGQSA-N	0	0	194.249	3.245	10	0		AGAERN
Cc1ccc(C)c2oc([C@H](C)O)cc12	83815481	573662358	/nfs/dbraw/zinc/66/23/58/573662358.db2.gz	DZKKBNUQQRYIED-VIFPVBQESA-N	0	0	190.242	3.103	10	0		AGAERN
C/C=C/C=C=C[C@H]1CCCC(=O)C1	224505523	573662420	/nfs/dbraw/zinc/66/24/20/573662420.db2.gz	HLHQUNGUXPVDMB-STOFUDBJSA-N	0	0	176.259	3.033	10	0		AGAERN
Cc1ccc(C)c2ccc(C=O)c-2c1	238472478	573662473	/nfs/dbraw/zinc/66/24/73/573662473.db2.gz	AMDJUFTZORJRJO-UHFFFAOYSA-N	0	0	184.238	3.221	10	0		AGAERN
CC[C@H](O)c1cc2cccc(F)c2o1	83815347	573662517	/nfs/dbraw/zinc/66/25/17/573662517.db2.gz	AZOFIPFYCUVKCL-VIFPVBQESA-N	0	0	194.205	3.015	10	0		AGAERN
Cc1ccc(-c2c[nH]c(=S)[nH]2)s1	83824304	573664952	/nfs/dbraw/zinc/66/49/52/573664952.db2.gz	VLDBRCXNFRGTRR-UHFFFAOYSA-N	0	0	196.300	3.109	10	0		AGAERN
CC(C)C(=O)[C@@H]1CCCC1(C)C	86869227	573665024	/nfs/dbraw/zinc/66/50/24/573665024.db2.gz	VTCIWTFNEGIZIH-VIFPVBQESA-N	0	0	168.280	3.038	10	0		AGAERN
CCCCCC[C@@](C)(O)C(F)(F)F	43367776	573664496	/nfs/dbraw/zinc/66/44/96/573664496.db2.gz	SVFROVNZZSCOHP-MRVPVSSYSA-N	0	0	198.228	3.270	10	0		AGAERN
CC[C@@]1(C(C)C)CCCCC1=O	144510038	573664682	/nfs/dbraw/zinc/66/46/82/573664682.db2.gz	GRIOVVXPBCCMLY-NSHDSACASA-N	0	0	168.280	3.182	10	0		AGAERN
C[C@H](O)/C=C/C=C/C1=CCCCCC1	238476394	573664821	/nfs/dbraw/zinc/66/48/21/573664821.db2.gz	PASIFRBDXLCRMZ-KKLNMWDTSA-N	0	0	192.302	3.370	10	0		AGAERN
Cc1[nH]c(-c2ccccc2)cc1N=O	238476417	573666035	/nfs/dbraw/zinc/66/60/35/573666035.db2.gz	CNCMGYNJNMPCAJ-UHFFFAOYSA-N	0	0	186.214	3.388	10	0		AGAERN
C[C@H]1C[C@H](n2cccn2)CC(C)(C)C1	238474730	573666042	/nfs/dbraw/zinc/66/60/42/573666042.db2.gz	BVNQMQGZLXRKPV-QWRGUYRKSA-N	0	0	192.306	3.270	10	0		AGAERN
C[C@H]1CCC[C@](O)(C2=CCCCC2)C1	235627443	573666091	/nfs/dbraw/zinc/66/60/91/573666091.db2.gz	KOCBNGDXVYYKLR-WCQYABFASA-N	0	0	194.318	3.428	10	0		AGAERN
CC[C@H](C)[C@@H]1CCc2ccccc2N1	83824003	573666130	/nfs/dbraw/zinc/66/61/30/573666130.db2.gz	FXVDJUVTOZNDOX-JQWIXIFHSA-N	0	0	189.302	3.459	10	0		AGAERN
CC[C@]1(C(C)C)CCCCC1=O	144509831	573666552	/nfs/dbraw/zinc/66/65/52/573666552.db2.gz	GRIOVVXPBCCMLY-LLVKDONJSA-N	0	0	168.280	3.182	10	0		AGAERN
O=Cc1cccc([C@H]2CCCS2)c1	257844463	573666255	/nfs/dbraw/zinc/66/62/55/573666255.db2.gz	NGFBRRDZMPKWKG-LLVKDONJSA-N	0	0	192.283	3.067	10	0		AGAERN
Cc1ccccc1C/C=C/Cl	238474709	573666286	/nfs/dbraw/zinc/66/62/86/573666286.db2.gz	KQPDUPNLLSFIRN-XBXARRHUSA-N	0	0	166.651	3.290	10	0		AGAERN
C[C@H]1CCC[C@](O)(CCC2CC2)C1	235627725	573666443	/nfs/dbraw/zinc/66/64/43/573666443.db2.gz	DGXABMYGVUDGOC-JQWIXIFHSA-N	0	0	182.307	3.118	10	0		AGAERN
CCSc1cc(N)ccc1Cl	83824741	573666721	/nfs/dbraw/zinc/66/67/21/573666721.db2.gz	YPGUXLBOOMYYQW-UHFFFAOYSA-N	0	0	187.695	3.034	10	0		AGAERN
Cc1ncc(Cl)c(C(F)F)c1F	238475264	573666784	/nfs/dbraw/zinc/66/67/84/573666784.db2.gz	RIDWXADOZFOCKH-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
CC1=C(C)C(C)(C)[C@@H]([C@@H](C)O)CC1	238467307	573669840	/nfs/dbraw/zinc/66/98/40/573669840.db2.gz	IOHABSGIDCZBMV-GHMZBOCLSA-N	0	0	182.307	3.140	10	0		AGAERN
CC[C@@H](C)C[C@](O)(CC)C(F)(F)F	43367789	573669499	/nfs/dbraw/zinc/66/94/99/573669499.db2.gz	MZDZGTHFMMJGHB-HTQZYQBOSA-N	0	0	198.228	3.126	10	0		AGAERN
CCCCCC[C@](C)(O)C(F)(F)F	43367775	573669731	/nfs/dbraw/zinc/66/97/31/573669731.db2.gz	SVFROVNZZSCOHP-QMMMGPOBSA-N	0	0	198.228	3.270	10	0		AGAERN
CCOCc1cc2ccc(F)cc2o1	258075635	573670227	/nfs/dbraw/zinc/67/02/27/573670227.db2.gz	QATNAMXWXFICTN-UHFFFAOYSA-N	0	0	194.205	3.108	10	0		AGAERN
CC1(C)CCC[C@@H]1n1cc[nH]c1=S	86876465	573670383	/nfs/dbraw/zinc/67/03/83/573670383.db2.gz	XODCEWHYWOYYOX-QMMMGPOBSA-N	0	0	196.319	3.297	10	0		AGAERN
CC(C)CCC(=O)c1cccc(F)c1	43374177	573670519	/nfs/dbraw/zinc/67/05/19/573670519.db2.gz	MVSLYCQOGWPQEY-UHFFFAOYSA-N	0	0	194.249	3.445	10	0		AGAERN
CCCSc1cc(C)ccc1N	83825308	573670576	/nfs/dbraw/zinc/67/05/76/573670576.db2.gz	MBFUXDRGXWDFSJ-UHFFFAOYSA-N	0	0	181.304	3.079	10	0		AGAERN
CC1(C)CCc2c1[nH]c1ccccc21	86872374	573670613	/nfs/dbraw/zinc/67/06/13/573670613.db2.gz	OLLSBKLLYKVYNW-UHFFFAOYSA-N	0	0	185.270	3.392	10	0		AGAERN
C=C/C(C)=C\C[C@H]1CCCC[C@@H]1O	238475751	573670698	/nfs/dbraw/zinc/67/06/98/573670698.db2.gz	CZJXPBGEDLEVTQ-ZFPPVFKBSA-N	0	0	180.291	3.060	10	0		AGAERN
C=C/C(C)=C\C[C@H]1CCCC[C@H]1O	238475766	573670788	/nfs/dbraw/zinc/67/07/88/573670788.db2.gz	CZJXPBGEDLEVTQ-NRCZCXPTSA-N	0	0	180.291	3.060	10	0		AGAERN
COC(=O)[C@H](CC1CCCC1)C(C)C	259154789	573673697	/nfs/dbraw/zinc/67/36/97/573673697.db2.gz	DHVZWFZDIXCVTD-LLVKDONJSA-N	0	0	198.306	3.012	10	0		AGAERN
CC1(C)CCC[C@H]1n1cccc1	86876973	573671345	/nfs/dbraw/zinc/67/13/45/573671345.db2.gz	OGKVMHTYNCYJLN-SNVBAGLBSA-N	0	0	163.264	3.239	10	0		AGAERN
CC(C)CC[C@@H](O)C1CCCCC1	43374205	573671466	/nfs/dbraw/zinc/67/14/66/573671466.db2.gz	BGXXUMFLSRCAJG-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
COC(=O)[C@@H](CC1CCCC1)C(C)C	259154793	573671788	/nfs/dbraw/zinc/67/17/88/573671788.db2.gz	DHVZWFZDIXCVTD-NSHDSACASA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)OCc1cc2ccccc2o1	258078897	573671875	/nfs/dbraw/zinc/67/18/75/573671875.db2.gz	QJLJNCKGCFDXRS-UHFFFAOYSA-N	0	0	190.242	3.358	10	0		AGAERN
CC1(C)CCC[C@@H]1n1cccc1C=O	86876812	573671916	/nfs/dbraw/zinc/67/19/16/573671916.db2.gz	ZRDBETYFODBJII-NSHDSACASA-N	0	0	191.274	3.052	10	0		AGAERN
Cc1c(Cl)cnc(F)c1C(F)F	238475556	573671952	/nfs/dbraw/zinc/67/19/52/573671952.db2.gz	VHDYPKAGWIYNCP-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
CSc1ccc2cc(C)[nH]c2c1	144661531	573672065	/nfs/dbraw/zinc/67/20/65/573672065.db2.gz	CRYMJTDIHBCBIS-UHFFFAOYSA-N	0	0	177.272	3.198	10	0		AGAERN
C=C/C(C)=C\C[C@@H]1CCCC[C@H]1O	238475671	573672109	/nfs/dbraw/zinc/67/21/09/573672109.db2.gz	CZJXPBGEDLEVTQ-NVSPSJGQSA-N	0	0	180.291	3.060	10	0		AGAERN
Cc1ncc(Cl)c(F)c1C(F)F	238475820	573672261	/nfs/dbraw/zinc/67/22/61/573672261.db2.gz	BYJGSOOMOUKAIX-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
Nc1cocc1-c1cccc(Cl)c1	258076512	573672274	/nfs/dbraw/zinc/67/22/74/573672274.db2.gz	HWKQDYBBSDLGCG-UHFFFAOYSA-N	0	0	193.633	3.182	10	0		AGAERN
CC(C)CCC(=O)C1CCCC1	43374167	573672276	/nfs/dbraw/zinc/67/22/76/573672276.db2.gz	LXCZMBYTCFUMMQ-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
O[C@H](CC1CCC1)c1ccc(F)cc1	83840409	573675305	/nfs/dbraw/zinc/67/53/05/573675305.db2.gz	HKNNUHUYWLOUJQ-GFCCVEGCSA-N	0	0	194.249	3.049	10	0		AGAERN
Cc1ncc(Cl)c(C)c1C(F)F	238475526	573672497	/nfs/dbraw/zinc/67/24/97/573672497.db2.gz	CHNNCGJLIZSBGX-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
CC1(C)CCC[C@H]1n1cccc1C=O	86876816	573672520	/nfs/dbraw/zinc/67/25/20/573672520.db2.gz	ZRDBETYFODBJII-LLVKDONJSA-N	0	0	191.274	3.052	10	0		AGAERN
CC(=O)c1ccc(CCC(F)F)cc1	258078074	573672763	/nfs/dbraw/zinc/67/27/63/573672763.db2.gz	MTBNCFSAVGIDPU-UHFFFAOYSA-N	0	0	198.212	3.087	10	0		AGAERN
CC(C)CC[C@H](O)c1cccc(F)c1	43374215	573672821	/nfs/dbraw/zinc/67/28/21/573672821.db2.gz	YEYDCHVNYOABAZ-LBPRGKRZSA-N	0	0	196.265	3.295	10	0		AGAERN
CC(C)CC[C@H](O)C1CCCCC1	43374203	573672867	/nfs/dbraw/zinc/67/28/67/573672867.db2.gz	BGXXUMFLSRCAJG-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)CC[C@@H](O)Cc1ccccc1	43374296	573672878	/nfs/dbraw/zinc/67/28/78/573672878.db2.gz	NWWFKWSDUWYECO-CYBMUJFWSA-N	0	0	192.302	3.026	10	0		AGAERN
CCC(=O)c1cc2c(s1)CCCC2	107973133	573672927	/nfs/dbraw/zinc/67/29/27/573672927.db2.gz	RXTPXIWSNXOFDN-UHFFFAOYSA-N	0	0	194.299	3.220	10	0		AGAERN
CC1(C)CCC[C@@H]1n1cccc1	86876970	573672935	/nfs/dbraw/zinc/67/29/35/573672935.db2.gz	OGKVMHTYNCYJLN-JTQLQIEISA-N	0	0	163.264	3.239	10	0		AGAERN
Cc1c(Cl)ccc2cnsc12	238468000	573675329	/nfs/dbraw/zinc/67/53/29/573675329.db2.gz	OCOWQCQQDORKQR-UHFFFAOYSA-N	0	0	183.663	3.258	10	0		AGAERN
CC1(C)CCC[C@H]1n1cc[nH]c1=S	86876467	573673259	/nfs/dbraw/zinc/67/32/59/573673259.db2.gz	XODCEWHYWOYYOX-MRVPVSSYSA-N	0	0	196.319	3.297	10	0		AGAERN
O=Cc1ccc([C@@H]2CCC2(F)F)cc1	258077183	573673324	/nfs/dbraw/zinc/67/33/24/573673324.db2.gz	LZTDVOMQEYIXTG-JTQLQIEISA-N	0	0	196.196	3.012	10	0		AGAERN
C=C/C(C)=C\C[C@@H]1CCCC[C@@H]1O	238475658	573673482	/nfs/dbraw/zinc/67/34/82/573673482.db2.gz	CZJXPBGEDLEVTQ-RVWWTBQBSA-N	0	0	180.291	3.060	10	0		AGAERN
CCC(CC)c1ccc(CCO)cc1	258078156	573673506	/nfs/dbraw/zinc/67/35/06/573673506.db2.gz	MVAMPHSUPUELBM-UHFFFAOYSA-N	0	0	192.302	3.125	10	0		AGAERN
CCOCc1c[nH]c2cc(C)ccc12	257846638	573673798	/nfs/dbraw/zinc/67/37/98/573673798.db2.gz	AKERVJPROGYMQW-UHFFFAOYSA-N	0	0	189.258	3.013	10	0		AGAERN
CC(C)CC[C@H](O)Cc1ccccc1	43374294	573674023	/nfs/dbraw/zinc/67/40/23/573674023.db2.gz	NWWFKWSDUWYECO-ZDUSSCGKSA-N	0	0	192.302	3.026	10	0		AGAERN
Cc1ccc(O)c2c1CCC[C@@H]2C	238467483	573674137	/nfs/dbraw/zinc/67/41/37/573674137.db2.gz	DNNRERIXPVSUML-VIFPVBQESA-N	0	0	176.259	3.140	10	0		AGAERN
Cc1ccc([C@@H](O)CC2CCC2)cc1	83840435	573675442	/nfs/dbraw/zinc/67/54/42/573675442.db2.gz	FYWZFFXXSXGDKA-ZDUSSCGKSA-N	0	0	190.286	3.219	10	0		AGAERN
CCOCc1cc2c(F)cccc2o1	258078817	573674257	/nfs/dbraw/zinc/67/42/57/573674257.db2.gz	QIDBBMIRURQLIP-UHFFFAOYSA-N	0	0	194.205	3.108	10	0		AGAERN
CCSc1cc(Cl)ccc1N	83825661	573674396	/nfs/dbraw/zinc/67/43/96/573674396.db2.gz	CWCXIJFLDKKSFN-UHFFFAOYSA-N	0	0	187.695	3.034	10	0		AGAERN
O=Cc1ccc([C@H]2CCC2(F)F)cc1	258077184	573674538	/nfs/dbraw/zinc/67/45/38/573674538.db2.gz	LZTDVOMQEYIXTG-SNVBAGLBSA-N	0	0	196.196	3.012	10	0		AGAERN
CC/C=C1/CCc2cc(N)ccc21	86883394	573674928	/nfs/dbraw/zinc/67/49/28/573674928.db2.gz	JVLUISAGNWDCDX-OQFOIZHKSA-N	0	0	173.259	3.008	10	0		AGAERN
CC/C(C)=C1/CCc2cc(N)ccc21	86883465	573674995	/nfs/dbraw/zinc/67/49/95/573674995.db2.gz	HQJRCJRWHYVGON-XFXZXTDPSA-N	0	0	187.286	3.399	10	0		AGAERN
CCCCC(=O)O[C@@H](CC)CCC	308412785	573675148	/nfs/dbraw/zinc/67/51/48/573675148.db2.gz	MDWVOUKMVNDCPN-JTQLQIEISA-N	0	0	186.295	3.299	10	0		AGAERN
Cc1cc(O)cc2c1CCC[C@@H]2C	238467467	573675238	/nfs/dbraw/zinc/67/52/38/573675238.db2.gz	ZJWAVZDTZRXFNO-QMMMGPOBSA-N	0	0	176.259	3.140	10	0		AGAERN
CCC(CC)c1ccccc1CCO	258078152	573675248	/nfs/dbraw/zinc/67/52/48/573675248.db2.gz	MUXHHIXXVRLDTP-UHFFFAOYSA-N	0	0	192.302	3.125	10	0		AGAERN
C[C@@H](O)[C@H]1CC[C@H](C(C)(C)C)CC1	238468436	573675472	/nfs/dbraw/zinc/67/54/72/573675472.db2.gz	FNBYRKVLUFZUKN-MXWKQRLJSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)/C=C1/CCc2cc(N)ccc21	86883449	573675406	/nfs/dbraw/zinc/67/54/06/573675406.db2.gz	ZUKHOFLZQUIJQM-YFHOEESVSA-N	0	0	187.286	3.254	10	0		AGAERN
O=C(CC1CCC1)c1cccs1	83840025	573676406	/nfs/dbraw/zinc/67/64/06/573676406.db2.gz	ZUGBSKMKGFLQRV-UHFFFAOYSA-N	0	0	180.272	3.121	10	0		AGAERN
Cc1ccccc1[C@H](O)CC1CCC1	83840553	573676224	/nfs/dbraw/zinc/67/62/24/573676224.db2.gz	SAZBEOSRTVRVJB-CYBMUJFWSA-N	0	0	190.286	3.219	10	0		AGAERN
Cc1ccc(C(=O)CC2CCC2)cc1	83840030	573676445	/nfs/dbraw/zinc/67/64/45/573676445.db2.gz	PQWFIUULKREWDY-UHFFFAOYSA-N	0	0	188.270	3.368	10	0		AGAERN
CC1CCC([C@@H](O)CC2CCC2)CC1	83840714	573676569	/nfs/dbraw/zinc/67/65/69/573676569.db2.gz	AVRNSAPTQFWGNO-GDKBPFBDSA-N	0	0	196.334	3.364	10	0		AGAERN
O[C@H](CC1CCC1)c1cccc(F)c1	83840413	573676696	/nfs/dbraw/zinc/67/66/96/573676696.db2.gz	WYUZSBQAVJDFRQ-GFCCVEGCSA-N	0	0	194.249	3.049	10	0		AGAERN
CCCCC(=O)O[C@H](CC)CCC	308412794	573676774	/nfs/dbraw/zinc/67/67/74/573676774.db2.gz	MDWVOUKMVNDCPN-SNVBAGLBSA-N	0	0	186.295	3.299	10	0		AGAERN
Cc1c(O)ccc2c1CCC[C@@H]2C	238467442	573676853	/nfs/dbraw/zinc/67/68/53/573676853.db2.gz	HYLUHKSYMLVRGG-QMMMGPOBSA-N	0	0	176.259	3.140	10	0		AGAERN
CC(C)=C1CCc2cc(N)ccc21	86883387	573676983	/nfs/dbraw/zinc/67/69/83/573676983.db2.gz	MGALLTROFQPNFD-UHFFFAOYSA-N	0	0	173.259	3.008	10	0		AGAERN
C[C@H]1CCCc2sc(Cl)nc21	238468257	573676998	/nfs/dbraw/zinc/67/69/98/573676998.db2.gz	DQRLPUGQOKDXON-YFKPBYRVSA-N	0	0	187.695	3.236	10	0		AGAERN
Nc1ccc(SCC2CCC2)cc1	83839275	573676999	/nfs/dbraw/zinc/67/69/99/573676999.db2.gz	RZSSQIKNZXTFEX-UHFFFAOYSA-N	0	0	193.315	3.161	10	0		AGAERN
Cc1ccc2c(c1)[C@H](C)C(C)(C)N2	258091667	573677017	/nfs/dbraw/zinc/67/70/17/573677017.db2.gz	ICLGPMOAYPRYRU-VIFPVBQESA-N	0	0	175.275	3.303	10	0		AGAERN
Cc1c(Cl)ccc2sncc12	238468404	573677109	/nfs/dbraw/zinc/67/71/09/573677109.db2.gz	ICNSXQQLXFAOPM-UHFFFAOYSA-N	0	0	183.663	3.258	10	0		AGAERN
O[C@@H](CC1CCC1)C1CCCCC1	83840584	573677180	/nfs/dbraw/zinc/67/71/80/573677180.db2.gz	WAKVCMBMPAZGDL-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
Fc1ccc(NCC2CCC2)c(F)c1	83838296	573677241	/nfs/dbraw/zinc/67/72/41/573677241.db2.gz	VCEZDGZERDVIJW-UHFFFAOYSA-N	0	0	197.228	3.177	10	0		AGAERN
O=C(CC1CCC1)c1ccccc1F	83840215	573677258	/nfs/dbraw/zinc/67/72/58/573677258.db2.gz	PRGACPBOLOMVJH-UHFFFAOYSA-N	0	0	192.233	3.199	10	0		AGAERN
CC[C@@H](O)c1cc(C)ccc1Cl	107997205	573677262	/nfs/dbraw/zinc/67/72/62/573677262.db2.gz	IFRYEWRPAZZEBV-SNVBAGLBSA-N	0	0	184.666	3.092	10	0		AGAERN
CCC[C@@H](O)c1cc(C)c(C)cc1F	107997103	573677408	/nfs/dbraw/zinc/67/74/08/573677408.db2.gz	NUUARVCZOKSDHA-GFCCVEGCSA-N	0	0	196.265	3.276	10	0		AGAERN
C=C=C1CCCCCC[C@@H]1[C@@H](C)O	238467831	573677605	/nfs/dbraw/zinc/67/76/05/573677605.db2.gz	GJZJFANOGBAWHN-ZYHUDNBSSA-N	0	0	180.291	3.049	10	0		AGAERN
Cc1csc2cccc([C@@H](C)O)c12	258091023	573677855	/nfs/dbraw/zinc/67/78/55/573677855.db2.gz	NIUVTVZBRPCUPO-MRVPVSSYSA-N	0	0	192.283	3.263	10	0		AGAERN
CC1=C2CCC[C@H]2CCC(=O)[C@H]1C	238468028	573677911	/nfs/dbraw/zinc/67/79/11/573677911.db2.gz	NPIBSYYLNFIXBW-UWVGGRQHSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1ccc(O)c2c1[C@@H](C)CCC2	238467637	573677944	/nfs/dbraw/zinc/67/79/44/573677944.db2.gz	OEDAXGFWMRSAMO-QMMMGPOBSA-N	0	0	176.259	3.140	10	0		AGAERN
CCC(=O)c1cc(C)c(C)cc1F	107997075	573677967	/nfs/dbraw/zinc/67/79/67/573677967.db2.gz	BFEJBDNSFPZRQL-UHFFFAOYSA-N	0	0	180.222	3.035	10	0		AGAERN
CCC[C@H](O)c1cc(C)ccc1Cl	107997208	573677979	/nfs/dbraw/zinc/67/79/79/573677979.db2.gz	HRTLMDINWGIMJJ-NSHDSACASA-N	0	0	198.693	3.482	10	0		AGAERN
Cc1ccccc1C(=O)CC1CCC1	83840077	573678149	/nfs/dbraw/zinc/67/81/49/573678149.db2.gz	JUEPLRDVDNCIEX-UHFFFAOYSA-N	0	0	188.270	3.368	10	0		AGAERN
O=C(CC1CCC1)C1CCCCC1	83840084	573678157	/nfs/dbraw/zinc/67/81/57/573678157.db2.gz	BMLNGDZWTAJQKG-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
Cc1cccc([C@H](O)CC2CCC2)c1	83840559	573678240	/nfs/dbraw/zinc/67/82/40/573678240.db2.gz	BIDQUYCMZXTYOG-CYBMUJFWSA-N	0	0	190.286	3.219	10	0		AGAERN
O[C@H](CC1CCC1)C1CCCCC1	83840579	573678420	/nfs/dbraw/zinc/67/84/20/573678420.db2.gz	WAKVCMBMPAZGDL-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@H]1CC[C@H](C(=O)CC2CCC2)C1	83840343	573678426	/nfs/dbraw/zinc/67/84/26/573678426.db2.gz	LTFHQGKALJJBOQ-ONGXEEELSA-N	0	0	180.291	3.182	10	0		AGAERN
CCc1ccc(Cl)c(C(C)=O)c1	107998219	573680121	/nfs/dbraw/zinc/68/01/21/573680121.db2.gz	XYSUVBMQJVHGJP-UHFFFAOYSA-N	0	0	182.650	3.105	10	0		AGAERN
O[C@@H](CC1CCC1)c1ccccc1F	83840796	573680158	/nfs/dbraw/zinc/68/01/58/573680158.db2.gz	ULMGVCKFJBIQQU-LBPRGKRZSA-N	0	0	194.249	3.049	10	0		AGAERN
CCC[C@@H](O)c1cc(C)ccc1Cl	107997212	573680206	/nfs/dbraw/zinc/68/02/06/573680206.db2.gz	HRTLMDINWGIMJJ-LLVKDONJSA-N	0	0	198.693	3.482	10	0		AGAERN
CCC/C(=C/C(C)(C)C)CCO	214949096	573686850	/nfs/dbraw/zinc/68/68/50/573686850.db2.gz	MATGIPIMLSADDB-KTKRTIGZSA-N	0	0	170.296	3.141	10	0		AGAERN
Nc1ccccc1[C@@H](F)C1CCCC1	259548867	573680229	/nfs/dbraw/zinc/68/02/29/573680229.db2.gz	CLDVKYQFHDFQAF-LBPRGKRZSA-N	0	0	193.265	3.470	10	0		AGAERN
Cc1cccc([C@@H](O)CC2CCC2)c1	83840561	573680272	/nfs/dbraw/zinc/68/02/72/573680272.db2.gz	BIDQUYCMZXTYOG-ZDUSSCGKSA-N	0	0	190.286	3.219	10	0		AGAERN
Cc1cccc(C(=O)CC2CCC2)c1	83840078	573680380	/nfs/dbraw/zinc/68/03/80/573680380.db2.gz	DCCBHDAKDPIYOP-UHFFFAOYSA-N	0	0	188.270	3.368	10	0		AGAERN
Cc1csc2cccc([C@H](C)O)c12	258091028	573680499	/nfs/dbraw/zinc/68/04/99/573680499.db2.gz	NIUVTVZBRPCUPO-QMMMGPOBSA-N	0	0	192.283	3.263	10	0		AGAERN
Nc1ccccc1[C@H](F)C1CCCC1	259548865	573680772	/nfs/dbraw/zinc/68/07/72/573680772.db2.gz	CLDVKYQFHDFQAF-GFCCVEGCSA-N	0	0	193.265	3.470	10	0		AGAERN
C[C@H](O)c1c(Cl)ccc2occc12	258090879	573680793	/nfs/dbraw/zinc/68/07/93/573680793.db2.gz	NZQZWQHACCGQLN-LURJTMIESA-N	0	0	196.633	3.140	10	0		AGAERN
C[C@H]1CC[C@@H](C(=O)CC2CCC2)C1	83840350	573680845	/nfs/dbraw/zinc/68/08/45/573680845.db2.gz	LTFHQGKALJJBOQ-GXSJLCMTSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1CCC[C@@H]([C@H](O)CC2CCC2)C1	83840709	573681114	/nfs/dbraw/zinc/68/11/14/573681114.db2.gz	XHXJVLUVILMPKJ-RAIGVLPGSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@H]1CC=CC[C@@]12CCCCC2=O	238470308	573683939	/nfs/dbraw/zinc/68/39/39/573683939.db2.gz	SRWMXTQQCZHAJI-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1c(Cl)cccc1OC1CC1	238470406	573684148	/nfs/dbraw/zinc/68/41/48/573684148.db2.gz	TYDARAAPESKWDE-UHFFFAOYSA-N	0	0	182.650	3.190	10	0		AGAERN
CC[C@@H](C)[C@H](O)Cc1csc(C)c1	393547609	573683163	/nfs/dbraw/zinc/68/31/63/573683163.db2.gz	JTWUVHWIOBLLCY-LDYMZIIASA-N	0	0	198.331	3.006	10	0		AGAERN
CCC[C@H](O)c1cc(C)c(C)cc1F	107997100	573683196	/nfs/dbraw/zinc/68/31/96/573683196.db2.gz	NUUARVCZOKSDHA-LBPRGKRZSA-N	0	0	196.265	3.276	10	0		AGAERN
CCCCNc1c(C)ccnc1Cl	83852137	573683305	/nfs/dbraw/zinc/68/33/05/573683305.db2.gz	FWDQXNFDAGIEQX-UHFFFAOYSA-N	0	0	198.697	3.255	10	0		AGAERN
C/C=C(/C)[C@@]1(C)Cc2ccccc2N1	237981017	573683322	/nfs/dbraw/zinc/68/33/22/573683322.db2.gz	FGOKEWRDEFLOEB-JTMRULEUSA-N	0	0	187.286	3.380	10	0		AGAERN
C[C@H]1CC[C@@](O)(C2=CCCCCC2)C1	235634748	573683332	/nfs/dbraw/zinc/68/33/32/573683332.db2.gz	HMWXFNWYQWNYEO-AAEUAGOBSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(=O)c1cc(C)cc(C)c1Cl	108000416	573683344	/nfs/dbraw/zinc/68/33/44/573683344.db2.gz	FEIDXDLRVXDIPK-UHFFFAOYSA-N	0	0	182.650	3.159	10	0		AGAERN
CC[C@@H](C)Nc1c(C)ccnc1Cl	83852203	573683556	/nfs/dbraw/zinc/68/35/56/573683556.db2.gz	DHDPTSBNXQGDQD-MRVPVSSYSA-N	0	0	198.697	3.254	10	0		AGAERN
C=C/C=C/CCC1(CO)CCCCC1	238696291	573683851	/nfs/dbraw/zinc/68/38/51/573683851.db2.gz	YEKWMIKSPDKVHY-ONEGZZNKSA-N	0	0	194.318	3.452	10	0		AGAERN
Cc1cc(C)c(Cl)c([C@@H](C)O)c1	108000448	573683859	/nfs/dbraw/zinc/68/38/59/573683859.db2.gz	LVQOVNISDWWXMR-MRVPVSSYSA-N	0	0	184.666	3.010	10	0		AGAERN
CCCCCC[C@H]1C[C@@H]1CC(=O)OC	14439089	573683968	/nfs/dbraw/zinc/68/39/68/573683968.db2.gz	VSKWTVATUAOXNT-WDEREUQCSA-N	0	0	198.306	3.156	10	0		AGAERN
C/C=C(\C1=CCCCC1)[C@@H](O)C(C)C	237988113	573684217	/nfs/dbraw/zinc/68/42/17/573684217.db2.gz	PKHJBDWZTZIGSW-VFJIKVCNSA-N	0	0	194.318	3.450	10	0		AGAERN
CC(=O)CCC(F)(F)c1ccccc1	145964390	573684285	/nfs/dbraw/zinc/68/42/85/573684285.db2.gz	FBDRSDWPNDQDFP-UHFFFAOYSA-N	0	0	198.212	3.148	10	0		AGAERN
CC(=O)c1cc(C(C)C)cc(F)c1F	258093325	573684806	/nfs/dbraw/zinc/68/48/06/573684806.db2.gz	OAXLOTITPPVQGG-UHFFFAOYSA-N	0	0	198.212	3.291	10	0		AGAERN
CCCCC[C@@H]1C[C@H](C)C[C@H](O)C1	393549887	573684899	/nfs/dbraw/zinc/68/48/99/573684899.db2.gz	BNSGRZHROQHRLQ-TUAOUCFPSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H](C)[C@H](O)CC1(C)CCCC1	393548559	573684908	/nfs/dbraw/zinc/68/49/08/573684908.db2.gz	LTTOEWLYGXIAHW-GHMZBOCLSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@]1(C2CC3(CCC3)C2)CC[C@@H](O)C1	717536617	573684915	/nfs/dbraw/zinc/68/49/15/573684915.db2.gz	KCIQYDSADMYMDZ-VXGBXAGGSA-N	0	0	194.318	3.118	10	0		AGAERN
Cc1ccc(C)n1[C@H]1CCCSC1	122026366	573684937	/nfs/dbraw/zinc/68/49/37/573684937.db2.gz	LSJIJMVWHXGGGJ-NSHDSACASA-N	0	0	195.331	3.173	10	0		AGAERN
CC1=C2CCC[C@@H]2CCC(=O)[C@@H]1C	238470859	573685068	/nfs/dbraw/zinc/68/50/68/573685068.db2.gz	NPIBSYYLNFIXBW-NXEZZACHSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@@H](C)[C@@H](O)CC1(C)CCCC1	393548560	573685135	/nfs/dbraw/zinc/68/51/35/573685135.db2.gz	LTTOEWLYGXIAHW-MNOVXSKESA-N	0	0	184.323	3.364	10	0		AGAERN
CC=Cc1c(C)c2ccccc2[nH]c1=O	308674341	573685154	/nfs/dbraw/zinc/68/51/54/573685154.db2.gz	BVSWIKUTXHSFBF-UTCJRWHESA-N	0	0	199.253	3.282	10	0		AGAERN
C/C=C(\c1ccccc1)[C@@H](O)C(C)C	237988196	573685363	/nfs/dbraw/zinc/68/53/63/573685363.db2.gz	QYFYMGAKRPLRSQ-VFJIKVCNSA-N	0	0	190.286	3.107	10	0		AGAERN
CC[C@H](C)[C@H](O)CC1(C)CCCC1	393548562	573686856	/nfs/dbraw/zinc/68/68/56/573686856.db2.gz	LTTOEWLYGXIAHW-WDEREUQCSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H]([C@@H](O)[C@@H]1C=CCCC1)C(C)(C)C	238479414	573686908	/nfs/dbraw/zinc/68/69/08/573686908.db2.gz	GJJRSVOVOJYMGP-IJLUTSLNSA-N	0	0	196.334	3.386	10	0		AGAERN
C/C=C(\c1ccccc1)[C@H](O)C(C)C	237988695	573686910	/nfs/dbraw/zinc/68/69/10/573686910.db2.gz	QYFYMGAKRPLRSQ-YKAQBRKTSA-N	0	0	190.286	3.107	10	0		AGAERN
Cc1ccc(C)n1[C@@H]1CCCSC1	122026126	573688024	/nfs/dbraw/zinc/68/80/24/573688024.db2.gz	LSJIJMVWHXGGGJ-LLVKDONJSA-N	0	0	195.331	3.173	10	0		AGAERN
Cc1ccc(-c2nc[nH]c2C)c(C)c1	238479457	573688340	/nfs/dbraw/zinc/68/83/40/573688340.db2.gz	CIAQYNRQAPDMFB-UHFFFAOYSA-N	0	0	186.258	3.002	10	0		AGAERN
CCCCC[C@H]1C[C@@H](O)C[C@H](C)C1	393549890	573688661	/nfs/dbraw/zinc/68/86/61/573688661.db2.gz	BNSGRZHROQHRLQ-UTUOFQBUSA-N	0	0	184.323	3.364	10	0		AGAERN
Nc1sccc1-c1ccccc1F	258084773	573688692	/nfs/dbraw/zinc/68/86/92/573688692.db2.gz	IVQIQHKCOKPBNM-UHFFFAOYSA-N	0	0	193.246	3.136	10	0		AGAERN
C/C=C(/C)[C@H](C)Nc1ccccc1	237981125	573688825	/nfs/dbraw/zinc/68/88/25/573688825.db2.gz	JDKSPNGFUGTIKI-FGUAACIASA-N	0	0	175.275	3.453	10	0		AGAERN
CSCc1cc2ccc(F)cc2[nH]1	258085433	573688949	/nfs/dbraw/zinc/68/89/49/573688949.db2.gz	QVGYJSCWVOYLKD-UHFFFAOYSA-N	0	0	195.262	3.170	10	0		AGAERN
Cc1ccc2c(c1)N[C@H](C)C[C@@H]2C	238479483	573689006	/nfs/dbraw/zinc/68/90/06/573689006.db2.gz	DFESBQGBLTWVSC-VHSXEESVSA-N	0	0	175.275	3.303	10	0		AGAERN
Cc1[nH]c2c(C)c(F)ccc2c1C	238478810	573689227	/nfs/dbraw/zinc/68/92/27/573689227.db2.gz	IWGASYIZXSYQFI-UHFFFAOYSA-N	0	0	177.222	3.232	10	0		AGAERN
C[C@@H]1CC(C)(C)c2ccccc2[C@H]1O	238478565	573690081	/nfs/dbraw/zinc/69/00/81/573690081.db2.gz	GLQQYCLGRHGFEP-SKDRFNHKSA-N	0	0	190.286	3.037	10	0		AGAERN
C[C@@H]1CC(C)(C)c2ccccc2[C@@H]1O	238478543	573690096	/nfs/dbraw/zinc/69/00/96/573690096.db2.gz	GLQQYCLGRHGFEP-BXKDBHETSA-N	0	0	190.286	3.037	10	0		AGAERN
Cc1cc(C)c(C)c(OC2CC2)c1C	238479273	573690100	/nfs/dbraw/zinc/69/01/00/573690100.db2.gz	DPAUMCXKBPCVEI-UHFFFAOYSA-N	0	0	190.286	3.461	10	0		AGAERN
CCc1cccc(CC)c1C(C)(C)O	258085601	573690443	/nfs/dbraw/zinc/69/04/43/573690443.db2.gz	NNXXKERAPBBPJS-UHFFFAOYSA-N	0	0	192.302	3.039	10	0		AGAERN
C/C=C(/C)C[C@H](O)c1ccccc1	237977413	573690465	/nfs/dbraw/zinc/69/04/65/573690465.db2.gz	DBUKSFIXMOCNHX-FALLNDSDSA-N	0	0	176.259	3.076	10	0		AGAERN
C[C@H](O)C(C)(C)CCc1ccccc1	238485523	573691333	/nfs/dbraw/zinc/69/13/33/573691333.db2.gz	GIOSJJLXFKUSPS-NSHDSACASA-N	0	0	192.302	3.026	10	0		AGAERN
C/C=C(/C)C[C@H](O)C1CCCCC1	237977240	573691662	/nfs/dbraw/zinc/69/16/62/573691662.db2.gz	RHKMQSOEVMTXKY-FALLNDSDSA-N	0	0	182.307	3.284	10	0		AGAERN
OC1(C2=CCCCCC2)CCCC1	236478193	573692904	/nfs/dbraw/zinc/69/29/04/573692904.db2.gz	WUIXHTIVOFUWAU-UHFFFAOYSA-N	0	0	180.291	3.182	10	0		AGAERN
CC(C)C[C@@H](C)C1(CO)CCCC1	393550876	573692910	/nfs/dbraw/zinc/69/29/10/573692910.db2.gz	DZIBYNWZGWVFJS-LLVKDONJSA-N	0	0	184.323	3.221	10	0		AGAERN
CC(=O)c1c(C)ccc2c(C)nccc12	257846962	573692721	/nfs/dbraw/zinc/69/27/21/573692721.db2.gz	DDZOSZXUIFGHNG-UHFFFAOYSA-N	0	0	199.253	3.054	10	0		AGAERN
C/C(Cl)=C/C[C@H](O)c1ccccc1	238481087	573695242	/nfs/dbraw/zinc/69/52/42/573695242.db2.gz	UWXYQABETKXMNC-DVBBHNHCSA-N	0	0	196.677	3.253	10	0		AGAERN
C[C@H]1CC(C)(C)c2ccccc2[C@H]1O	238481947	573694383	/nfs/dbraw/zinc/69/43/83/573694383.db2.gz	GLQQYCLGRHGFEP-CABZTGNLSA-N	0	0	190.286	3.037	10	0		AGAERN
CC(C)C[C@H](C)C1(CO)CCCC1	393550879	573694385	/nfs/dbraw/zinc/69/43/85/573694385.db2.gz	DZIBYNWZGWVFJS-NSHDSACASA-N	0	0	184.323	3.221	10	0		AGAERN
Fc1ccc2c(c1)NCC[C@@H]2C1CC1	257851250	573693874	/nfs/dbraw/zinc/69/38/74/573693874.db2.gz	OYUGTWRUNDQGJP-SNVBAGLBSA-N	0	0	191.249	3.135	10	0		AGAERN
C[C@H]1CC[C@@H](C)c2cc(O)ccc21	238481510	573693917	/nfs/dbraw/zinc/69/39/17/573693917.db2.gz	QWRFGAXINZTDBX-DTWKUNHWSA-N	0	0	176.259	3.393	10	0		AGAERN
C[C@H]1CCC2=CCC[C@@H](CC1=O)C2	238481277	573694122	/nfs/dbraw/zinc/69/41/22/573694122.db2.gz	QQENJGQETRIVDX-GXSJLCMTSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1c(C(F)F)cnc(Cl)c1F	238481474	573695881	/nfs/dbraw/zinc/69/58/81/573695881.db2.gz	QZONZRWOCJTXBR-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
Cc1ccccc1N[C@@H]1C=CCC1	238481026	573695252	/nfs/dbraw/zinc/69/52/52/573695252.db2.gz	GSHLYFGMGWHOBC-LLVKDONJSA-N	0	0	173.259	3.126	10	0		AGAERN
C[C@H]1CC(C)(C)c2ccccc2[C@@H]1O	238481935	573695394	/nfs/dbraw/zinc/69/53/94/573695394.db2.gz	GLQQYCLGRHGFEP-JOYOIKCWSA-N	0	0	190.286	3.037	10	0		AGAERN
Fc1ccc2c(c1)NCC[C@H]2C1CC1	257851247	573695518	/nfs/dbraw/zinc/69/55/18/573695518.db2.gz	OYUGTWRUNDQGJP-JTQLQIEISA-N	0	0	191.249	3.135	10	0		AGAERN
Cc1[nH]c2c(O)cccc2c1C1CC1	238481736	573695694	/nfs/dbraw/zinc/69/56/94/573695694.db2.gz	CMBADMFWUAFLOU-UHFFFAOYSA-N	0	0	187.242	3.059	10	0		AGAERN
O[C@@H](CC1CC1)C1=CCCCCCC1	236512943	573695811	/nfs/dbraw/zinc/69/58/11/573695811.db2.gz	HQEOKTJSTLWRJC-ZDUSSCGKSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)=C=CC=C=C(C)[C@@H](C)[C@H](C)O	238481262	573695814	/nfs/dbraw/zinc/69/58/14/573695814.db2.gz	SJLDFTMZCIKGEG-MDGPAFOCSA-N	0	0	192.302	3.226	10	0		AGAERN
Cc1ccc(Cl)c2c1CCCC2=O	238482341	573699221	/nfs/dbraw/zinc/69/92/21/573699221.db2.gz	QOYCFZONDZMKNK-UHFFFAOYSA-N	0	0	194.661	3.167	10	0		AGAERN
Cc1cc(C)c(F)c(OC2CCC2)c1	238482311	573699394	/nfs/dbraw/zinc/69/93/94/573699394.db2.gz	KXALSNCSDMZKCR-UHFFFAOYSA-N	0	0	194.249	3.374	10	0		AGAERN
C[C@]1(C/C=C/Cl)CCCCC1=O	238482140	573699798	/nfs/dbraw/zinc/69/97/98/573699798.db2.gz	NSNIFLSUDBUZKF-VMKBVTSJSA-N	0	0	186.682	3.278	10	0		AGAERN
C/C1=C/CC/C=C/CC(=O)CC1	238483350	573699923	/nfs/dbraw/zinc/69/99/23/573699923.db2.gz	JFJQQCMYHYLLAL-IYNMRSRQSA-N	0	0	164.248	3.022	10	0		AGAERN
Cc1ccc(O)c2c(C3CC3)c[nH]c12	238482993	573700062	/nfs/dbraw/zinc/70/00/62/573700062.db2.gz	MXTALKJSCSCZNP-UHFFFAOYSA-N	0	0	187.242	3.059	10	0		AGAERN
C[C@H]1CCC=C2CCCC(=O)[C@@]21C	238482678	573700162	/nfs/dbraw/zinc/70/01/62/573700162.db2.gz	VHLUTMKYFHULOO-JOYOIKCWSA-N	0	0	178.275	3.102	10	0		AGAERN
O[C@H](C1=CCCCCCC1)C1CC1	236522140	573700217	/nfs/dbraw/zinc/70/02/17/573700217.db2.gz	YAWDHERTHXUIHN-GFCCVEGCSA-N	0	0	180.291	3.038	10	0		AGAERN
Cc1ccc(CCc2ccc[nH]2)s1	238482238	573700311	/nfs/dbraw/zinc/70/03/11/573700311.db2.gz	CXUUDWVRLHEFOK-UHFFFAOYSA-N	0	0	191.299	3.170	10	0		AGAERN
Cc1[nH]c2cc(F)cc(F)c2c1C	238482699	573700924	/nfs/dbraw/zinc/70/09/24/573700924.db2.gz	GETCRQHDBQDWJK-UHFFFAOYSA-N	0	0	181.185	3.063	10	0		AGAERN
c1ccc2c(c1)N[C@@H]1[C@@H]3CCCC[C@H]3[C@H]21	308684474	573700572	/nfs/dbraw/zinc/70/05/72/573700572.db2.gz	WNTTXLWEJCEEBW-DMTCVQMQSA-N	0	0	199.297	3.384	10	0		AGAERN
Cc1c(OC2CCC2)ccc(F)c1F	238482304	573700685	/nfs/dbraw/zinc/70/06/85/573700685.db2.gz	JWTIRONOIHTUTJ-UHFFFAOYSA-N	0	0	198.212	3.205	10	0		AGAERN
Cc1ccc(Cl)c2c1C(=O)CCC2	238482490	573700931	/nfs/dbraw/zinc/70/09/31/573700931.db2.gz	NWHSNBNZESVUQS-UHFFFAOYSA-N	0	0	194.661	3.167	10	0		AGAERN
O[C@@H](C1=CCCC1)c1ccc(Cl)o1	236515231	573701127	/nfs/dbraw/zinc/70/11/27/573701127.db2.gz	DULSHCBZGNNLEI-JTQLQIEISA-N	0	0	198.649	3.077	10	0		AGAERN
Cc1[nH]c2cc(F)ccc2c1C1CC1	238482955	573701219	/nfs/dbraw/zinc/70/12/19/573701219.db2.gz	WDUPYOYFNXLITE-UHFFFAOYSA-N	0	0	189.233	3.493	10	0		AGAERN
Cc1[nH]c2cc(F)c(F)cc2c1C	238482270	573701228	/nfs/dbraw/zinc/70/12/28/573701228.db2.gz	TVXVYPBBUYZQAY-UHFFFAOYSA-N	0	0	181.185	3.063	10	0		AGAERN
Nc1cc(Cl)ccc1CC1CCC1	257848030	573701334	/nfs/dbraw/zinc/70/13/34/573701334.db2.gz	OCDXBDZEQMDYDU-UHFFFAOYSA-N	0	0	195.693	3.265	10	0		AGAERN
CSC(=N)c1ccc(Cl)s1	259166906	573701584	/nfs/dbraw/zinc/70/15/84/573701584.db2.gz	LKRZMSFVZYPHHG-UHFFFAOYSA-N	0	0	191.708	3.090	10	0		AGAERN
Cc1ccc(F)c(NCCC2CC2)c1	83926337	573701752	/nfs/dbraw/zinc/70/17/52/573701752.db2.gz	RPTAWKGMBLAHMZ-UHFFFAOYSA-N	0	0	193.265	3.346	10	0		AGAERN
Cc1cc(C)c(Cc2ccccc2)[nH]1	238482177	573701919	/nfs/dbraw/zinc/70/19/19/573701919.db2.gz	VADUAHPPIAWRST-UHFFFAOYSA-N	0	0	185.270	3.222	10	0		AGAERN
C/C=C/C(=S)Nc1ccccc1	237995549	573701964	/nfs/dbraw/zinc/70/19/64/573701964.db2.gz	CUROMAWGJQUEKJ-QHHAFSJGSA-N	0	0	177.272	3.002	10	0		AGAERN
Cc1ccc(O)c2[nH]cc(C3CC3)c12	238482911	573702087	/nfs/dbraw/zinc/70/20/87/573702087.db2.gz	YZDXGQKZQVWXID-UHFFFAOYSA-N	0	0	187.242	3.059	10	0		AGAERN
Cc1cc(C)c(N)c(C2=CCCC2)c1	238482488	573702128	/nfs/dbraw/zinc/70/21/28/573702128.db2.gz	QCLKYAQNGHJFFQ-UHFFFAOYSA-N	0	0	187.286	3.453	10	0		AGAERN
Cc1ccc(Cl)c(C)c1F	75838553	573703206	/nfs/dbraw/zinc/70/32/06/573703206.db2.gz	JEGBJZCGAIAJEI-UHFFFAOYSA-N	0	0	158.603	3.096	10	0		AGAERN
C[C@@H]1CCC[C@H]([C@H](O)CCC2CC2)C1	83936441	573703137	/nfs/dbraw/zinc/70/31/37/573703137.db2.gz	AOBHSUIKDKEMKY-KGYLQXTDSA-N	0	0	196.334	3.364	10	0		AGAERN
c1ccc2c(c1)N[C@@H]1[C@@H]3CCCC[C@@H]3[C@H]21	308684475	573703245	/nfs/dbraw/zinc/70/32/45/573703245.db2.gz	WNTTXLWEJCEEBW-GZZJDILISA-N	0	0	199.297	3.384	10	0		AGAERN
Nc1ccccc1[C@H]1CCC(F)(F)C1	258099557	573703299	/nfs/dbraw/zinc/70/32/99/573703299.db2.gz	NRZXRTYZZBTETR-QMMMGPOBSA-N	0	0	197.228	3.172	10	0		AGAERN
Cc1ccc(OC2CCC2)c(C)c1	238483451	573703330	/nfs/dbraw/zinc/70/33/30/573703330.db2.gz	JLIMPHWZAVXHPU-UHFFFAOYSA-N	0	0	176.259	3.235	10	0		AGAERN
C[C@@H](O)c1csc2cccc(F)c12	257849080	573703413	/nfs/dbraw/zinc/70/34/13/573703413.db2.gz	DQIBAPMFMITXRD-ZCFIWIBFSA-N	0	0	196.246	3.094	10	0		AGAERN
CC1=C[C@@]2(CC1)C(=O)CCC[C@@H]2C	238484143	573703455	/nfs/dbraw/zinc/70/34/55/573703455.db2.gz	LGLDUYIWEYSASE-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1ccc(OC2CCC2)c(F)c1	238483504	573705385	/nfs/dbraw/zinc/70/53/85/573705385.db2.gz	XEOJIOFDRTUXQD-UHFFFAOYSA-N	0	0	180.222	3.065	10	0		AGAERN
C[C@@H](c1ccccc1O)C(F)(F)F	75839471	573704418	/nfs/dbraw/zinc/70/44/18/573704418.db2.gz	BMKQRKPTOOUYKM-LURJTMIESA-N	0	0	190.164	3.058	10	0		AGAERN
Cc1[nH]c2ccc(F)c(C)c2c1C	238484007	573704560	/nfs/dbraw/zinc/70/45/60/573704560.db2.gz	CUINVUOFERLBPY-UHFFFAOYSA-N	0	0	177.222	3.232	10	0		AGAERN
Fc1ccc(NCCC2CC2)c(F)c1	83926313	573704712	/nfs/dbraw/zinc/70/47/12/573704712.db2.gz	ZXUGLNRHJHMSPB-UHFFFAOYSA-N	0	0	197.228	3.177	10	0		AGAERN
Cc1n[nH]c(C)c1C1CCCCC1	75841144	573704732	/nfs/dbraw/zinc/70/47/32/573704732.db2.gz	ILOZSXFVABRPFS-UHFFFAOYSA-N	0	0	178.279	3.074	10	0		AGAERN
C[C@@H]1C[C@H](Nc2ccsc2)CS1	86936379	573704797	/nfs/dbraw/zinc/70/47/97/573704797.db2.gz	RQRGRCWQNDHPKM-APPZFPTMSA-N	0	0	199.344	3.054	10	0		AGAERN
CC1Nc2ccc(Cl)cc2C1=S	238483882	573704851	/nfs/dbraw/zinc/70/48/51/573704851.db2.gz	PKCWMBWGFYMKEN-UHFFFAOYSA-N	0	0	197.690	3.418	10	0		AGAERN
Cc1cccc2c1C[C@H](C)C(C)(C)N2	258100700	573704871	/nfs/dbraw/zinc/70/48/71/573704871.db2.gz	INNJURCRZBATFI-JTQLQIEISA-N	0	0	189.302	3.378	10	0		AGAERN
C[C@@H]1C[C@@H](Nc2ccsc2)CS1	86936381	573704885	/nfs/dbraw/zinc/70/48/85/573704885.db2.gz	RQRGRCWQNDHPKM-VXNVDRBHSA-N	0	0	199.344	3.054	10	0		AGAERN
Cc1c(F)cc(C(F)F)nc1Cl	238483947	573704890	/nfs/dbraw/zinc/70/48/90/573704890.db2.gz	MTRNQZWNWIPODJ-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
Cc1coc([C@@H](C)c2ccccc2)n1	75842332	573704979	/nfs/dbraw/zinc/70/49/79/573704979.db2.gz	DIDMOBVYNUJEKZ-JTQLQIEISA-N	0	0	187.242	3.135	10	0		AGAERN
Cc1ccc(N)cc1C1CCCC1	75840522	573705147	/nfs/dbraw/zinc/70/51/47/573705147.db2.gz	GXXSUSDNGNAUSR-UHFFFAOYSA-N	0	0	175.275	3.235	10	0		AGAERN
Cc1cn(CCC2CC2)c(C)c1C	83940551	573705724	/nfs/dbraw/zinc/70/57/24/573705724.db2.gz	VOAOKGCXLLNXIX-UHFFFAOYSA-N	0	0	177.291	3.213	10	0		AGAERN
CC[C@]1(C)Nc2cccc(O)c2[C@H]1C	258100709	573705174	/nfs/dbraw/zinc/70/51/74/573705174.db2.gz	IOFZXVYTMBQTST-PELKAZGASA-N	0	0	191.274	3.090	10	0		AGAERN
C/C=C/C[C@@H](O)/C=C/c1ccccc1	238017699	573705181	/nfs/dbraw/zinc/70/51/81/573705181.db2.gz	YUMMTTZMEVBYOH-DXFRQSKKSA-N	0	0	188.270	3.027	10	0		AGAERN
c1ccc(N[C@@H]2CCCCS2)cc1	238017154	573705254	/nfs/dbraw/zinc/70/52/54/573705254.db2.gz	ZLGJAQRNPBYNMJ-NSHDSACASA-N	0	0	193.315	3.342	10	0		AGAERN
C[C@H]1C[C@@H](Nc2ccsc2)CS1	86936382	573705280	/nfs/dbraw/zinc/70/52/80/573705280.db2.gz	RQRGRCWQNDHPKM-IONNQARKSA-N	0	0	199.344	3.054	10	0		AGAERN
Cc1scnc1-c1ccc(F)cc1	108238237	573705307	/nfs/dbraw/zinc/70/53/07/573705307.db2.gz	NGSABJPZYCQIHG-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
CC(C)Oc1cccc(NC2CC2)c1	108256732	573705446	/nfs/dbraw/zinc/70/54/46/573705446.db2.gz	SMRJGIFEBJQCSU-UHFFFAOYSA-N	0	0	191.274	3.048	10	0		AGAERN
Oc1ccccc1[C@H]1CCCCS1	257849873	573705458	/nfs/dbraw/zinc/70/54/58/573705458.db2.gz	OPHHDJGZNJNILP-LLVKDONJSA-N	0	0	194.299	3.350	10	0		AGAERN
Cc1ccc(Cc2cncs2)cc1	108235264	573705538	/nfs/dbraw/zinc/70/55/38/573705538.db2.gz	QTCRDJYPIIOLRN-UHFFFAOYSA-N	0	0	189.283	3.042	10	0		AGAERN
C[C@H]1CCC(=O)[C@]2(C)CCCC=C12	238477621	573707773	/nfs/dbraw/zinc/70/77/73/573707773.db2.gz	VSIKBIIVMZXJSK-JOYOIKCWSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1c(C(F)F)cc(F)nc1Cl	238477464	573708006	/nfs/dbraw/zinc/70/80/06/573708006.db2.gz	JSFMJNZKKCPFAW-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
Cc1cccc(Cc2cncs2)c1	108235234	573707398	/nfs/dbraw/zinc/70/73/98/573707398.db2.gz	YLENNBYFJOZVCN-UHFFFAOYSA-N	0	0	189.283	3.042	10	0		AGAERN
CC(C)c1c(F)cccc1F	75838813	573707576	/nfs/dbraw/zinc/70/75/76/573707576.db2.gz	LTOKEBBIDLXBQN-UHFFFAOYSA-N	0	0	156.175	3.088	10	0		AGAERN
C[C@H](c1cccc(O)c1)C(F)(F)F	75839478	573707583	/nfs/dbraw/zinc/70/75/83/573707583.db2.gz	UKBAOXXHWAMSBH-ZCFIWIBFSA-N	0	0	190.164	3.058	10	0		AGAERN
Cc1cc(O)cc(C)c1OC(C)(C)C	238477388	573707769	/nfs/dbraw/zinc/70/77/69/573707769.db2.gz	DZCOGWPDRPEKLW-UHFFFAOYSA-N	0	0	194.274	3.186	10	0		AGAERN
Cc1ncc(F)c(Cl)c1C(F)F	238477255	573707800	/nfs/dbraw/zinc/70/78/00/573707800.db2.gz	ZZHIAFZHCSLKEF-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
C[C@H](O)[C@@H]1CCC2=C(CCCC2)C1	238477514	573707812	/nfs/dbraw/zinc/70/78/12/573707812.db2.gz	HIHAGYKXHPFJQI-GXSJLCMTSA-N	0	0	180.291	3.038	10	0		AGAERN
O[C@@H]1CCCCC[C@H]1C/C=C/Cl	236540799	573707927	/nfs/dbraw/zinc/70/79/27/573707927.db2.gz	BMQMJZZKYGNPRT-GNKRQNHBSA-N	0	0	188.698	3.070	10	0		AGAERN
CC1=CC[C@@H](/C(C)=C\[C@@H](C)O)CC1	238477431	573707929	/nfs/dbraw/zinc/70/79/29/573707929.db2.gz	JUWYPYJBMUQWJW-NRCZCXPTSA-N	0	0	180.291	3.060	10	0		AGAERN
CC[C@]1(C)Nc2cccc(O)c2[C@@H]1C	258100715	573708121	/nfs/dbraw/zinc/70/81/21/573708121.db2.gz	IOFZXVYTMBQTST-UFBFGSQYSA-N	0	0	191.274	3.090	10	0		AGAERN
Cc1ccc(Cl)cc1[C@@H](O)C(C)C	75853461	573708536	/nfs/dbraw/zinc/70/85/36/573708536.db2.gz	WDRXXBBGQRGWGW-NSHDSACASA-N	0	0	198.693	3.338	10	0		AGAERN
Cc1cccc2c1C[C@@H](C)C(C)(C)N2	258100702	573708816	/nfs/dbraw/zinc/70/88/16/573708816.db2.gz	INNJURCRZBATFI-SNVBAGLBSA-N	0	0	189.302	3.378	10	0		AGAERN
CCOCc1coc2c(C)cccc12	257850647	573708913	/nfs/dbraw/zinc/70/89/13/573708913.db2.gz	BLICANGUOFEZQR-UHFFFAOYSA-N	0	0	190.242	3.278	10	0		AGAERN
CC/C=C/C/C=C/C=C/C(=O)OCC	135973042	573708998	/nfs/dbraw/zinc/70/89/98/573708998.db2.gz	KRCQDQXKPOKJOE-WLNWXRDVSA-N	0	0	194.274	3.018	10	0		AGAERN
O[C@@H](C1=CCCCCCC1)C1CCC1	236530131	573709002	/nfs/dbraw/zinc/70/90/02/573709002.db2.gz	BMWQDSOHNCYZNV-ZDUSSCGKSA-N	0	0	194.318	3.428	10	0		AGAERN
C/C=C\Cc1ccc2[nH]c(=O)ccc2c1	308690012	573709007	/nfs/dbraw/zinc/70/90/07/573709007.db2.gz	JXKQPZSGRUFNOU-IHWYPQMZSA-N	0	0	199.253	3.059	10	0		AGAERN
C(=CC1CCCCC1)c1c[nH]cn1	238012358	573709025	/nfs/dbraw/zinc/70/90/25/573709025.db2.gz	LEDDSBBUHCJMQJ-VOTSOKGWSA-N	0	0	176.263	3.003	10	0		AGAERN
Cc1c(F)ccc2ccsc12	238491147	573709090	/nfs/dbraw/zinc/70/90/90/573709090.db2.gz	DLMUXWJLKNMZEB-UHFFFAOYSA-N	0	0	166.220	3.349	10	0		AGAERN
Cc1ccc(OCOC(C)C)cc1C	308690696	573709129	/nfs/dbraw/zinc/70/91/29/573709129.db2.gz	RLSPLHAWKOQFRG-UHFFFAOYSA-N	0	0	194.274	3.065	10	0		AGAERN
CCCCCC=C=CCCCCO	215339360	573709196	/nfs/dbraw/zinc/70/91/96/573709196.db2.gz	AJIBCOZJGWZDBE-UHFFFAOYSA-N	0	0	182.307	3.441	10	0		AGAERN
Cc1coc(C(=O)[C@H]2CC[C@H](C)C2)c1	716113807	573709211	/nfs/dbraw/zinc/70/92/11/573709211.db2.gz	KMWFKMJIJYJNSM-WPRPVWTQSA-N	0	0	192.258	3.207	10	0		AGAERN
Cc1c(F)ccc2c(Cl)c[nH]c12	238490657	573709360	/nfs/dbraw/zinc/70/93/60/573709360.db2.gz	LUFHKNUUSMESPZ-UHFFFAOYSA-N	0	0	183.613	3.269	10	0		AGAERN
Cc1cc2ccc(C=O)cc2s1	108265940	573709456	/nfs/dbraw/zinc/70/94/56/573709456.db2.gz	XXKGIVMXVYFOIF-UHFFFAOYSA-N	0	0	176.240	3.022	10	0		AGAERN
C1=C(OC2CCCC2)CCCC1	238011464	573710025	/nfs/dbraw/zinc/71/00/25/573710025.db2.gz	JJWUHXKXZNQNCU-UHFFFAOYSA-N	0	0	166.264	3.404	10	0		AGAERN
Cc1c(F)ccc2cc(Cl)[nH]c12	238490959	573710145	/nfs/dbraw/zinc/71/01/45/573710145.db2.gz	SMVJJUREHLZILX-UHFFFAOYSA-N	0	0	183.613	3.269	10	0		AGAERN
C1=C(OC2CCCC2)CCC1	238011264	573710338	/nfs/dbraw/zinc/71/03/38/573710338.db2.gz	OBPZCLPELUVLPQ-UHFFFAOYSA-N	0	0	152.237	3.013	10	0		AGAERN
Nc1ccccc1[C@@H](C(F)F)C1CC1	258095327	573710503	/nfs/dbraw/zinc/71/05/03/573710503.db2.gz	NKMYXFDHUGJBQN-JTQLQIEISA-N	0	0	197.228	3.028	10	0		AGAERN
Nc1ccccc1[C@H](C(F)F)C1CC1	258095330	573710656	/nfs/dbraw/zinc/71/06/56/573710656.db2.gz	NKMYXFDHUGJBQN-SNVBAGLBSA-N	0	0	197.228	3.028	10	0		AGAERN
O[C@H](C1=CCCC1)c1ccc(Cl)o1	236559028	573712282	/nfs/dbraw/zinc/71/22/82/573712282.db2.gz	DULSHCBZGNNLEI-SNVBAGLBSA-N	0	0	198.649	3.077	10	0		AGAERN
COCc1cc2ccc(Cl)cc2o1	258095171	573712107	/nfs/dbraw/zinc/71/21/07/573712107.db2.gz	RROPSQQBVZKDJO-UHFFFAOYSA-N	0	0	196.633	3.233	10	0		AGAERN
C1=C(OC2CCC2)CCCC1	238011363	573712152	/nfs/dbraw/zinc/71/21/52/573712152.db2.gz	WPSUEPHIDWROJP-UHFFFAOYSA-N	0	0	152.237	3.013	10	0		AGAERN
Cc1[nH]c2cc1CCCCCCC2	238492140	573712545	/nfs/dbraw/zinc/71/25/45/573712545.db2.gz	ZEIAHJCWIHRYKE-UHFFFAOYSA-N	0	0	177.291	3.372	10	0		AGAERN
Cc1[nH]ccc1CC1=CCCCC1	238493049	573712747	/nfs/dbraw/zinc/71/27/47/573712747.db2.gz	KQGMSLBSRPDXME-UHFFFAOYSA-N	0	0	175.275	3.366	10	0		AGAERN
CCc1cccc2c1NCC[C@H]2C	83963759	573712778	/nfs/dbraw/zinc/71/27/78/573712778.db2.gz	HFYFXHUUPBTXCV-SECBINFHSA-N	0	0	175.275	3.168	10	0		AGAERN
Cc1c(F)cccc1OC1CCCC1	238493471	573712920	/nfs/dbraw/zinc/71/29/20/573712920.db2.gz	JXRLNSWCBKDHGH-UHFFFAOYSA-N	0	0	194.249	3.456	10	0		AGAERN
C/C=C/C[C@H](O)c1ccccc1Cl	238020995	573712923	/nfs/dbraw/zinc/71/29/23/573712923.db2.gz	GWPHGXZFRQQGSV-VUDBWIFFSA-N	0	0	196.677	3.340	10	0		AGAERN
Nc1cocc1-c1ccccc1Cl	258101420	573712965	/nfs/dbraw/zinc/71/29/65/573712965.db2.gz	KQZPINDHSWGHKC-UHFFFAOYSA-N	0	0	193.633	3.182	10	0		AGAERN
Cc1cccc2c1c(C=O)cn2C1CC1	258101798	573713133	/nfs/dbraw/zinc/71/31/33/573713133.db2.gz	NZPKKOTUJGAXEQ-UHFFFAOYSA-N	0	0	199.253	3.097	10	0		AGAERN
COCc1cc2cc(F)ccc2s1	258095122	573713143	/nfs/dbraw/zinc/71/31/43/573713143.db2.gz	RQTWWPGBBVWSKV-UHFFFAOYSA-N	0	0	196.246	3.187	10	0		AGAERN
Cc1cccc(C)c1C(=O)C(C)C	75854516	573715591	/nfs/dbraw/zinc/71/55/91/573715591.db2.gz	GHTKQSLVVSBJOY-UHFFFAOYSA-N	0	0	176.259	3.142	10	0		AGAERN
Cc1cc2[nH]ccc2c2cccnc12	238493143	573715628	/nfs/dbraw/zinc/71/56/28/573715628.db2.gz	CPIRICKNGMGUPH-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
C/C=C/[C@@H](O)c1c(C)cc(C)cc1C	238039332	573715655	/nfs/dbraw/zinc/71/56/55/573715655.db2.gz	QUAYGHOPOWATGJ-BTDICHCPSA-N	0	0	190.286	3.221	10	0		AGAERN
CC(C)c1cccc(C(C)(C)CO)c1	257855093	573715832	/nfs/dbraw/zinc/71/58/32/573715832.db2.gz	SZWDOMLUAHCYHJ-UHFFFAOYSA-N	0	0	192.302	3.080	10	0		AGAERN
Cc1ccc(F)c2cc(Cl)[nH]c12	238494768	573717418	/nfs/dbraw/zinc/71/74/18/573717418.db2.gz	DOPPTZBYEHUMKN-UHFFFAOYSA-N	0	0	183.613	3.269	10	0		AGAERN
C/C=C/[C@@H](O)c1cc2ccccc2o1	238039833	573715851	/nfs/dbraw/zinc/71/58/51/573715851.db2.gz	DSDARNLQKKGYAV-JYBNPQIESA-N	0	0	188.226	3.042	10	0		AGAERN
CCCCC/C=C\[C@@H]1CCC(=O)C1	215327236	573715907	/nfs/dbraw/zinc/71/59/07/573715907.db2.gz	KVSSZEFSPOOBOO-JMEBYUIHSA-N	0	0	180.291	3.492	10	0		AGAERN
C[C@H](O)c1cc2c(Cl)cccc2o1	257854499	573716283	/nfs/dbraw/zinc/71/62/83/573716283.db2.gz	FOQKNGKYKHUKFB-LURJTMIESA-N	0	0	196.633	3.140	10	0		AGAERN
CCc1cccc2c1NCC[C@@H]2C	83963758	573716460	/nfs/dbraw/zinc/71/64/60/573716460.db2.gz	HFYFXHUUPBTXCV-VIFPVBQESA-N	0	0	175.275	3.168	10	0		AGAERN
C[C@@H]1CCCc2scc(C=O)c21	108276066	573716470	/nfs/dbraw/zinc/71/64/70/573716470.db2.gz	MGHYCVRBWYSELK-SSDOTTSWSA-N	0	0	180.272	3.000	10	0		AGAERN
Cc1cccc(C(=O)C(C)(C)C)c1F	75854783	573716516	/nfs/dbraw/zinc/71/65/16/573716516.db2.gz	MGYSKEWTLABSDD-UHFFFAOYSA-N	0	0	194.249	3.363	10	0		AGAERN
Cc1[nH]c2c(C)ccc(F)c2c1C	238494205	573716659	/nfs/dbraw/zinc/71/66/59/573716659.db2.gz	AOZMYEYZBUAWHI-UHFFFAOYSA-N	0	0	177.222	3.232	10	0		AGAERN
CC(C)=C[C@H]1C[C@@]12CCCCC2=O	197527534	573716858	/nfs/dbraw/zinc/71/68/58/573716858.db2.gz	FZSHAZPLCVFLSW-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1ccc(F)c2[nH]c(Cl)cc12	238493789	573716885	/nfs/dbraw/zinc/71/68/85/573716885.db2.gz	SHQWEWAVFGGQGQ-UHFFFAOYSA-N	0	0	183.613	3.269	10	0		AGAERN
CC1(C)CCCc2c(C=O)cccc21	197532551	573716945	/nfs/dbraw/zinc/71/69/45/573716945.db2.gz	XDFJCMWUJDFQCS-UHFFFAOYSA-N	0	0	188.270	3.113	10	0		AGAERN
C/C=C/[C@@H](O)[C@@H]1C=C(C)CC(C)(C)C1	238038630	573716970	/nfs/dbraw/zinc/71/69/70/573716970.db2.gz	VMDRSYVKNUCQKX-IEVRTODYSA-N	0	0	194.318	3.306	10	0		AGAERN
C[C@H]1CCCc2scc(C=O)c21	108276067	573716989	/nfs/dbraw/zinc/71/69/89/573716989.db2.gz	MGHYCVRBWYSELK-ZETCQYMHSA-N	0	0	180.272	3.000	10	0		AGAERN
Cc1cc(Cl)c(C(F)F)c(F)n1	238494639	573717086	/nfs/dbraw/zinc/71/70/86/573717086.db2.gz	MQZABRKRZILQQD-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
CCCCC/C=C/[C@H]1CCC(=O)C1	215327331	573717174	/nfs/dbraw/zinc/71/71/74/573717174.db2.gz	KVSSZEFSPOOBOO-MLRMMBSGSA-N	0	0	180.291	3.492	10	0		AGAERN
CCCC[C@@H](C)[C@H](O)c1cc(C)co1	716118824	573717198	/nfs/dbraw/zinc/71/71/98/573717198.db2.gz	NFWYMCDJEWJZNC-PWSUYJOCSA-N	0	0	196.290	3.448	10	0		AGAERN
CC(=O)C(F)(F)C1CCCCCC1	257854210	573717559	/nfs/dbraw/zinc/71/75/59/573717559.db2.gz	PPTISLAQCSXDEV-UHFFFAOYSA-N	0	0	190.233	3.181	10	0		AGAERN
CC(C)=C[C@@H]1C[C@@]12CCCCC2=O	197527524	573717583	/nfs/dbraw/zinc/71/75/83/573717583.db2.gz	FZSHAZPLCVFLSW-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1[nH]c2c(F)ccc(C)c2c1C	238493619	573717789	/nfs/dbraw/zinc/71/77/89/573717789.db2.gz	UHOGPQWDPSMXBS-UHFFFAOYSA-N	0	0	177.222	3.232	10	0		AGAERN
CC(C)c1c(F)cnc2ccccc12	257854977	573717812	/nfs/dbraw/zinc/71/78/12/573717812.db2.gz	PRWKVZCVQIJNLO-UHFFFAOYSA-N	0	0	189.233	3.497	10	0		AGAERN
Cc1ccc2[nH]c3ccccc3c2n1	238493645	573718049	/nfs/dbraw/zinc/71/80/49/573718049.db2.gz	YBVWNSZNOYBOEP-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
C[C@H](CCC(C)(C)C)Nc1c[nH]cn1	393668343	573718087	/nfs/dbraw/zinc/71/80/87/573718087.db2.gz	APBFPFOGLRZHMR-SECBINFHSA-N	0	0	195.310	3.036	10	0		AGAERN
CC(C)=C[C@H]1C[C@]12CCCCC2=O	197527558	573718141	/nfs/dbraw/zinc/71/81/41/573718141.db2.gz	FZSHAZPLCVFLSW-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1cccc2c3ccncc3n(C)c12	215322554	573718270	/nfs/dbraw/zinc/71/82/70/573718270.db2.gz	JOVONICLSVTGHJ-UHFFFAOYSA-N	0	0	196.253	3.035	10	0		AGAERN
C/C=C/[C@@H](C)c1c(C)cccc1N	238027982	573718402	/nfs/dbraw/zinc/71/84/02/573718402.db2.gz	XELXGBJHBLPGKJ-OTQAPUNGSA-N	0	0	175.275	3.257	10	0		AGAERN
c1cc2[nH]c1CCCCCCCC2	197531142	573718470	/nfs/dbraw/zinc/71/84/70/573718470.db2.gz	WIGQJVZEAHYOKF-UHFFFAOYSA-N	0	0	177.291	3.454	10	0		AGAERN
CCCC[C@H](C)[C@H](O)c1cc(C)co1	716118817	573718624	/nfs/dbraw/zinc/71/86/24/573718624.db2.gz	NFWYMCDJEWJZNC-JQWIXIFHSA-N	0	0	196.290	3.448	10	0		AGAERN
Cc1ccc(F)c2c(Cl)c[nH]c12	238494507	573719588	/nfs/dbraw/zinc/71/95/88/573719588.db2.gz	AUVUEXCOMBGLPX-UHFFFAOYSA-N	0	0	183.613	3.269	10	0		AGAERN
Cc1cc(Cl)c(C(F)F)c(C)n1	238494469	573719604	/nfs/dbraw/zinc/71/96/04/573719604.db2.gz	BTELPNXMERIMFN-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
CCC(C)(C)[C@H](O)[C@@H](C)CC(C)C	393556128	573719627	/nfs/dbraw/zinc/71/96/27/573719627.db2.gz	NWOCNDRFTSLORI-WDEREUQCSA-N	0	0	186.339	3.466	10	0		AGAERN
CCC(C)(C)[C@H](O)[C@H](C)CC(C)C	393556121	573719718	/nfs/dbraw/zinc/71/97/18/573719718.db2.gz	NWOCNDRFTSLORI-GHMZBOCLSA-N	0	0	186.339	3.466	10	0		AGAERN
CSCc1coc2c(F)cccc12	258104855	573719784	/nfs/dbraw/zinc/71/97/84/573719784.db2.gz	SIHNVGMMNRZEJE-UHFFFAOYSA-N	0	0	196.246	3.435	10	0		AGAERN
C[C@@H](CCC(C)(C)C)Nc1c[nH]cn1	393668344	573719795	/nfs/dbraw/zinc/71/97/95/573719795.db2.gz	APBFPFOGLRZHMR-VIFPVBQESA-N	0	0	195.310	3.036	10	0		AGAERN
CCCC[C@H](C)[C@@H](O)c1cc(C)co1	716118814	573719937	/nfs/dbraw/zinc/71/99/37/573719937.db2.gz	NFWYMCDJEWJZNC-CMPLNLGQSA-N	0	0	196.290	3.448	10	0		AGAERN
Cc1ccc2[nH]c3sncc3c2c1	238494022	573720145	/nfs/dbraw/zinc/72/01/45/573720145.db2.gz	CJHDQFMYBUFCQO-UHFFFAOYSA-N	0	0	188.255	3.086	10	0		AGAERN
COc1ccc2cc(C3CC3)[nH]c2c1	83965955	573720154	/nfs/dbraw/zinc/72/01/54/573720154.db2.gz	VPAZJEPIFZFFFZ-UHFFFAOYSA-N	0	0	187.242	3.054	10	0		AGAERN
Cc1cc(O)c2scc(C)c2c1	238494582	573720238	/nfs/dbraw/zinc/72/02/38/573720238.db2.gz	OJLDETBZMWGUGE-UHFFFAOYSA-N	0	0	178.256	3.224	10	0		AGAERN
CC(=O)c1cccc2c1[C@@H](C)CS2	258104536	573720279	/nfs/dbraw/zinc/72/02/79/573720279.db2.gz	ODEQAGKLBHTBCD-ZETCQYMHSA-N	0	0	192.283	3.098	10	0		AGAERN
Cc1c(Cl)n(C)c2c(F)cccc12	257855708	573720280	/nfs/dbraw/zinc/72/02/80/573720280.db2.gz	ANACMALSZUTKRV-UHFFFAOYSA-N	0	0	197.640	3.279	10	0		AGAERN
CCC(C)(C)[C@@H](O)[C@H](C)CC(C)C	393556124	573720323	/nfs/dbraw/zinc/72/03/23/573720323.db2.gz	NWOCNDRFTSLORI-MNOVXSKESA-N	0	0	186.339	3.466	10	0		AGAERN
Cc1ccc(F)c2c(C=O)csc12	238494296	573720614	/nfs/dbraw/zinc/72/06/14/573720614.db2.gz	ZKNWABAVGPLDRW-UHFFFAOYSA-N	0	0	194.230	3.161	10	0		AGAERN
Cc1ccc(F)c2[nH]cc(Cl)c12	238493981	573720620	/nfs/dbraw/zinc/72/06/20/573720620.db2.gz	ZCHAHTJWEVYWBH-UHFFFAOYSA-N	0	0	183.613	3.269	10	0		AGAERN
CC(C)c1sc(C(C)C)c(N)c1N	223308142	573720634	/nfs/dbraw/zinc/72/06/34/573720634.db2.gz	QPIZSEIAYVDVNN-UHFFFAOYSA-N	0	0	198.335	3.159	10	0		AGAERN
CC(=O)c1csc2cc(C)ccc12	257855753	573720670	/nfs/dbraw/zinc/72/06/70/573720670.db2.gz	FUFOZJORYZENCW-UHFFFAOYSA-N	0	0	190.267	3.412	10	0		AGAERN
CSCc1coc2c(O)cccc12	258104895	573721682	/nfs/dbraw/zinc/72/16/82/573721682.db2.gz	SISNUVNNPCBRSZ-UHFFFAOYSA-N	0	0	194.255	3.001	10	0		AGAERN
Cc1oc2cc[nH]c(=S)c2c1C	238495164	573721847	/nfs/dbraw/zinc/72/18/47/573721847.db2.gz	JDIWGNYZTBGWIW-UHFFFAOYSA-N	0	0	179.244	3.107	10	0		AGAERN
CC(=O)c1cccc2c1[C@H](C)CS2	258104532	573722141	/nfs/dbraw/zinc/72/21/41/573722141.db2.gz	ODEQAGKLBHTBCD-SSDOTTSWSA-N	0	0	192.283	3.098	10	0		AGAERN
C=C=CC[C@@H](O)c1cccc(Cl)c1	143020530	573722196	/nfs/dbraw/zinc/72/21/96/573722196.db2.gz	YYPPSAWQZURVJT-LLVKDONJSA-N	0	0	194.661	3.105	10	0		AGAERN
Cc1cc(Cl)c(C)nc1C(F)F	238496433	573722200	/nfs/dbraw/zinc/72/22/00/573722200.db2.gz	FNZOQNIAUPXYRX-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
Cc1ccc2c(ccc3[nH]ccc32)n1	238496154	573722280	/nfs/dbraw/zinc/72/22/80/573722280.db2.gz	ALFVFVPKXVYJRU-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
C[C@@]1(C/C=C/Cl)CCCCC1=O	238495924	573722595	/nfs/dbraw/zinc/72/25/95/573722595.db2.gz	NSNIFLSUDBUZKF-GOJXHPMJSA-N	0	0	186.682	3.278	10	0		AGAERN
C=CC1=CCC[C@]12CCCC(=O)C2	238043407	573722734	/nfs/dbraw/zinc/72/27/34/573722734.db2.gz	BQEJGMIJWNXXEO-GFCCVEGCSA-N	0	0	176.259	3.022	10	0		AGAERN
Cc1cc(Cl)c(C)c(C(F)F)n1	238496081	573722805	/nfs/dbraw/zinc/72/28/05/573722805.db2.gz	VBUNVFQWXAWENX-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
c1ccc2c(c1)CCCc1cc[nH]c1-2	238044594	573722833	/nfs/dbraw/zinc/72/28/33/573722833.db2.gz	VCVYVJCNQNAPEH-UHFFFAOYSA-N	0	0	183.254	3.170	10	0		AGAERN
C/C=C/[C@H]1c2ccc(O)cc2C[C@@H]1C	238044620	573723070	/nfs/dbraw/zinc/72/30/70/573723070.db2.gz	KEIGFAHXSPWEFO-BIMKLNOUSA-N	0	0	188.270	3.244	10	0		AGAERN
O[C@@]1(C2=CCCCCC2)C=CCCC1	236584594	573723126	/nfs/dbraw/zinc/72/31/26/573723126.db2.gz	HRCOXPFFCAIHQQ-ZDUSSCGKSA-N	0	0	192.302	3.348	10	0		AGAERN
Cc1cc(O)ccc1[C@@H]1C=CCC1	238485660	573723291	/nfs/dbraw/zinc/72/32/91/573723291.db2.gz	UATYUYACOSDADM-SNVBAGLBSA-N	0	0	174.243	3.134	10	0		AGAERN
CC[C@@H](C)Nc1ccc(C)c(OC)c1	690211610	573727107	/nfs/dbraw/zinc/72/71/07/573727107.db2.gz	HGEBWZMPCAFSHX-SNVBAGLBSA-N	0	0	193.290	3.214	10	0		AGAERN
Cc1ccc(F)c2scc(C=O)c12	238495568	573724396	/nfs/dbraw/zinc/72/43/96/573724396.db2.gz	OWBUKXFHLNGKJG-UHFFFAOYSA-N	0	0	194.230	3.161	10	0		AGAERN
Cc1cc(Cl)c(C(F)F)nc1C	238495352	573724406	/nfs/dbraw/zinc/72/44/06/573724406.db2.gz	AKDHCMJLRJZAPN-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
COc1cccc2c1N[C@@H](C)C[C@@H]2C	257857717	573724715	/nfs/dbraw/zinc/72/47/15/573724715.db2.gz	QHDHVVDIGYLEBX-IUCAKERBSA-N	0	0	191.274	3.003	10	0		AGAERN
CC(C)[NH2+][C@@H](c1ccco1)C(C)(C)C	308681364	573724505	/nfs/dbraw/zinc/72/45/05/573724505.db2.gz	XQBIVGVSXIOZRX-NSHDSACASA-N	0	0	195.306	3.365	10	0		AGAERN
Cc1ccc2c(C3CC3)c[nH]c2c1	238495179	573724539	/nfs/dbraw/zinc/72/45/39/573724539.db2.gz	TUCDVIGQCJTUPV-UHFFFAOYSA-N	0	0	171.243	3.354	10	0		AGAERN
Cc1cc(C(F)(F)F)cc2cc[nH]c12	238495369	573725668	/nfs/dbraw/zinc/72/56/68/573725668.db2.gz	SZSMQVXYMOXQCJ-UHFFFAOYSA-N	0	0	199.175	3.495	10	0		AGAERN
C/C=C/[C@H](O)[C@@H]1C=C(C)CC(C)(C)C1	238059455	573727543	/nfs/dbraw/zinc/72/75/43/573727543.db2.gz	VMDRSYVKNUCQKX-AIIUZBJTSA-N	0	0	194.318	3.306	10	0		AGAERN
C=Cc1cc2cc(C)cc(C)c2[nH]1	238495346	573725605	/nfs/dbraw/zinc/72/56/05/573725605.db2.gz	LFHVYJTWZCFWDU-UHFFFAOYSA-N	0	0	171.243	3.428	10	0		AGAERN
Cc1ccc2c(C3CC3)c[nH]c2c1O	238495275	573725682	/nfs/dbraw/zinc/72/56/82/573725682.db2.gz	RYSRAUAMMKFKKI-UHFFFAOYSA-N	0	0	187.242	3.059	10	0		AGAERN
C/C=C/[C@H](O)C[C@@H]1C=CCC(C)(C)C1	238056577	573725715	/nfs/dbraw/zinc/72/57/15/573725715.db2.gz	JGHQGHWKDDPRMX-JZYUNNQISA-N	0	0	194.318	3.306	10	0		AGAERN
Cc1oc2cccc([C@@H](C)O)c2c1C	258106340	573725891	/nfs/dbraw/zinc/72/58/91/573725891.db2.gz	PFDLKCYLIAGSGG-MRVPVSSYSA-N	0	0	190.242	3.103	10	0		AGAERN
Nc1ccc2ccc(Cl)cc2c1F	258107713	573725936	/nfs/dbraw/zinc/72/59/36/573725936.db2.gz	ONFDKLXMLPTTKI-UHFFFAOYSA-N	0	0	195.624	3.215	10	0		AGAERN
CC(C)c1oc(=O)[nH]c1C1CCCC1	257858437	573726442	/nfs/dbraw/zinc/72/64/42/573726442.db2.gz	QKNSLSFEIXLBFX-UHFFFAOYSA-N	0	0	195.262	3.161	10	0		AGAERN
C/C=C/[C@H](O)C[C@@H]1CC=CC(C)(C)C1	238056392	573726447	/nfs/dbraw/zinc/72/64/47/573726447.db2.gz	QXUZNWJMZZLRNF-JZYUNNQISA-N	0	0	194.318	3.306	10	0		AGAERN
C[C@H]1CCCC/C(=C\CO)C1(C)C	238485812	573726515	/nfs/dbraw/zinc/72/65/15/573726515.db2.gz	JHNCAYNERGILQL-NGPGYTDTSA-N	0	0	182.307	3.141	10	0		AGAERN
Cc1oc2cccc([C@H](C)O)c2c1C	258106343	573726668	/nfs/dbraw/zinc/72/66/68/573726668.db2.gz	PFDLKCYLIAGSGG-QMMMGPOBSA-N	0	0	190.242	3.103	10	0		AGAERN
C/C=C/[C@H](O)[C@H]1C=C(C)CC(C)(C)C1	238057887	573726727	/nfs/dbraw/zinc/72/67/27/573726727.db2.gz	VMDRSYVKNUCQKX-WTIVYXKASA-N	0	0	194.318	3.306	10	0		AGAERN
CC[C@@H](C)c1ccc(O)cc1C	143043615	573726876	/nfs/dbraw/zinc/72/68/76/573726876.db2.gz	QYRXDTKYFAYJDH-MRVPVSSYSA-N	0	0	164.248	3.214	10	0		AGAERN
COc1cccc2c1N[C@@H](C)C[C@H]2C	257857713	573727318	/nfs/dbraw/zinc/72/73/18/573727318.db2.gz	QHDHVVDIGYLEBX-BDAKNGLRSA-N	0	0	191.274	3.003	10	0		AGAERN
CC(C)(C)[C@H](CF)c1ccc(N)cc1	258109837	573733777	/nfs/dbraw/zinc/73/37/77/573733777.db2.gz	ORBGVSIPCSYSMN-LLVKDONJSA-N	0	0	195.281	3.368	10	0		AGAERN
C/C=C/[C@H](O)c1c(C)cc(C)cc1C	238060087	573728510	/nfs/dbraw/zinc/72/85/10/573728510.db2.gz	QUAYGHOPOWATGJ-FYJFLYSWSA-N	0	0	190.286	3.221	10	0		AGAERN
C/C=C/[C@H](O)C[C@H]1C=CCC(C)(C)C1	238056370	573728700	/nfs/dbraw/zinc/72/87/00/573728700.db2.gz	JGHQGHWKDDPRMX-XCOQAZTISA-N	0	0	194.318	3.306	10	0		AGAERN
CCCCC[C@@H](O)c1ccncc1C	126879002	573729045	/nfs/dbraw/zinc/72/90/45/573729045.db2.gz	SVBXQTWDGHQYQK-GFCCVEGCSA-N	0	0	193.290	3.004	10	0		AGAERN
Cc1ccc(N)c(CC2CCCC2)c1	257852634	573729150	/nfs/dbraw/zinc/72/91/50/573729150.db2.gz	PIIDXTDVUNOVDL-UHFFFAOYSA-N	0	0	189.302	3.310	10	0		AGAERN
Cc1nc2c(C)cc(F)cc2s1	238488450	573729234	/nfs/dbraw/zinc/72/92/34/573729234.db2.gz	GICGPKURCVGENX-UHFFFAOYSA-N	0	0	181.235	3.052	10	0		AGAERN
CC(=O)[C@@H]1CCCCC[C@H](C)C1	238487888	573729251	/nfs/dbraw/zinc/72/92/51/573729251.db2.gz	TZVWRWLLIBYZBL-GXSJLCMTSA-N	0	0	168.280	3.182	10	0		AGAERN
C(=C/c1cccs1)\c1cc[nH]c1	143077868	573729335	/nfs/dbraw/zinc/72/93/35/573729335.db2.gz	MCRGZGSIPIQJBE-ONEGZZNKSA-N	0	0	175.256	3.247	10	0		AGAERN
CC(C)=Cc1ccc(/C=C/CO)cc1	143053950	573729386	/nfs/dbraw/zinc/72/93/86/573729386.db2.gz	RKWQVWQACSRMLX-ONEGZZNKSA-N	0	0	188.270	3.115	10	0		AGAERN
CCCCC[C@H](O)c1ccncc1C	126878797	573729445	/nfs/dbraw/zinc/72/94/45/573729445.db2.gz	SVBXQTWDGHQYQK-LBPRGKRZSA-N	0	0	193.290	3.004	10	0		AGAERN
Cc1ccc(F)c(-c2nccs2)c1	75899150	573730133	/nfs/dbraw/zinc/73/01/33/573730133.db2.gz	UNINWMXAIRTNGQ-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
CCCC=C(C=O)CCC	143054383	573730166	/nfs/dbraw/zinc/73/01/66/573730166.db2.gz	MOOCCQSJALISMU-WGKMIZOUSA-N	0	0	140.226	3.195	10	0		AGAERN
Cc1cc(O)c([C@H]2C=CCC2)cc1C	238488651	573730205	/nfs/dbraw/zinc/73/02/05/573730205.db2.gz	DNRUEDVROKVDMJ-NSHDSACASA-N	0	0	188.270	3.443	10	0		AGAERN
Cc1cc2c(F)c(F)c(F)cc2o1	75926953	573734203	/nfs/dbraw/zinc/73/42/03/573734203.db2.gz	BIWMIMCCZXMMNV-UHFFFAOYSA-N	0	0	186.132	3.159	10	0		AGAERN
CC(C)c1sc(=O)[nH]c1C1CCC1	257851911	573732647	/nfs/dbraw/zinc/73/26/47/573732647.db2.gz	PEMAXSDUTPBTBT-UHFFFAOYSA-N	0	0	197.303	3.240	10	0		AGAERN
Cc1cccc2c(C)c(O)ccc12	108289894	573732742	/nfs/dbraw/zinc/73/27/42/573732742.db2.gz	OXCOEJHPAVTDFG-UHFFFAOYSA-N	0	0	172.227	3.162	10	0		AGAERN
Cc1ccc(CO)c(C2CCCC2)c1	238488823	573732784	/nfs/dbraw/zinc/73/27/84/573732784.db2.gz	WUPNKMIGIIGBFU-UHFFFAOYSA-N	0	0	190.286	3.145	10	0		AGAERN
CC1=CC[C@@H](C/C(C)=C\CO)C1(C)C	224639633	573733349	/nfs/dbraw/zinc/73/33/49/573733349.db2.gz	UJWUPIIWUYVKKX-UMAGTOLTSA-N	0	0	194.318	3.308	10	0		AGAERN
CCCc1c[nH]c2c(C)cccc12	197588738	573733702	/nfs/dbraw/zinc/73/37/02/573733702.db2.gz	INUABMFTVRCICJ-UHFFFAOYSA-N	0	0	173.259	3.429	10	0		AGAERN
CCSC(=O)Nc1ccc(F)cc1	223395427	573733821	/nfs/dbraw/zinc/73/38/21/573733821.db2.gz	OPTLSONFBIPZJR-UHFFFAOYSA-N	0	0	199.250	3.111	10	0		AGAERN
CSCc1nccc2ccccc12	144738994	573734510	/nfs/dbraw/zinc/73/45/10/573734510.db2.gz	CHPOEGWLGWHEFZ-UHFFFAOYSA-N	0	0	189.283	3.098	10	0		AGAERN
Cc1cc2c(F)cc(F)cc2s1	75926963	573734255	/nfs/dbraw/zinc/73/42/55/573734255.db2.gz	FOTUNEZLSWOHLT-UHFFFAOYSA-N	0	0	184.210	3.488	10	0		AGAERN
Cc1c(C=O)n(C2CC2)c2ccccc12	258111938	573734272	/nfs/dbraw/zinc/73/42/72/573734272.db2.gz	OTGMVHULDRDWII-UHFFFAOYSA-N	0	0	199.253	3.097	10	0		AGAERN
CCOCc1cc2cc(C)ccc2o1	257853347	573734280	/nfs/dbraw/zinc/73/42/80/573734280.db2.gz	CLAYIMLREDDSBV-UHFFFAOYSA-N	0	0	190.242	3.278	10	0		AGAERN
CCC=Cc1cc2ccccc2[nH]c1=O	308693841	573735832	/nfs/dbraw/zinc/73/58/32/573735832.db2.gz	PCRPNOQVOKLTJA-ZZXKWVIFSA-N	0	0	199.253	3.364	10	0		AGAERN
Cc1cc(C)c(SC(F)(F)F)[nH]1	144783542	573735845	/nfs/dbraw/zinc/73/58/45/573735845.db2.gz	GMGDCUOLPINVOJ-UHFFFAOYSA-N	0	0	195.209	3.243	10	0		AGAERN
C/C=C/[C@H](C)c1c(C)cccc1N	238051682	573735939	/nfs/dbraw/zinc/73/59/39/573735939.db2.gz	XELXGBJHBLPGKJ-DNQSNQRASA-N	0	0	175.275	3.257	10	0		AGAERN
O[C@H](c1cccc(C2CC2)c1)C1CC1	87012638	573738186	/nfs/dbraw/zinc/73/81/86/573738186.db2.gz	OSWFBPVTJGJAIW-ZDUSSCGKSA-N	0	0	188.270	3.007	10	0		AGAERN
C[C@H](O)c1cc2cccc(F)c2s1	258114062	573736807	/nfs/dbraw/zinc/73/68/07/573736807.db2.gz	JGXSNLFZAQOPTJ-LURJTMIESA-N	0	0	196.246	3.094	10	0		AGAERN
Cc1cc2c(F)cc(F)cc2o1	75926947	573736860	/nfs/dbraw/zinc/73/68/60/573736860.db2.gz	SBIQVSPQUKMFIV-UHFFFAOYSA-N	0	0	168.142	3.019	10	0		AGAERN
CC[C@@H](O)c1cccc(C2CC2)c1	87012642	573738219	/nfs/dbraw/zinc/73/82/19/573738219.db2.gz	VULAOFQOAGYRPL-GFCCVEGCSA-N	0	0	176.259	3.007	10	0		AGAERN
CC(C)[C@@H](O)c1ccc(C2CC2)cc1	87012715	573737054	/nfs/dbraw/zinc/73/70/54/573737054.db2.gz	UWJRYDUWBILFDP-CYBMUJFWSA-N	0	0	190.286	3.253	10	0		AGAERN
CC[C@H](O)c1cccc(C2CC2)c1	87012640	573737062	/nfs/dbraw/zinc/73/70/62/573737062.db2.gz	VULAOFQOAGYRPL-LBPRGKRZSA-N	0	0	176.259	3.007	10	0		AGAERN
CC[C@H](O)c1ccccc1C1CC1	87015235	573737164	/nfs/dbraw/zinc/73/71/64/573737164.db2.gz	HTMSCDVZIIOBOG-LBPRGKRZSA-N	0	0	176.259	3.007	10	0		AGAERN
CCc1cc(C)c(CC)c(O)c1C	143288168	573737328	/nfs/dbraw/zinc/73/73/28/573737328.db2.gz	YVXAFWJOGIRYLL-UHFFFAOYSA-N	0	0	178.275	3.134	10	0		AGAERN
Cc1nc(C(F)F)cc(Cl)c1F	238500037	573737681	/nfs/dbraw/zinc/73/76/81/573737681.db2.gz	NCMPLBNOVWRDKX-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
CC(=O)CC(F)(F)C1CCCCC1	257853448	573737755	/nfs/dbraw/zinc/73/77/55/573737755.db2.gz	PMUUMSBFIBGKSQ-UHFFFAOYSA-N	0	0	190.233	3.181	10	0		AGAERN
C=Cc1cccc(C(F)F)c1	124998229	573737858	/nfs/dbraw/zinc/73/78/58/573737858.db2.gz	ZSHCEDDWEZSROJ-UHFFFAOYSA-N	0	0	154.159	3.267	10	0		AGAERN
CC[C@@H](O)c1ccc(C2CC2)cc1	87012783	573737929	/nfs/dbraw/zinc/73/79/29/573737929.db2.gz	PCLZKECFRZANFN-GFCCVEGCSA-N	0	0	176.259	3.007	10	0		AGAERN
O[C@H](c1ccc(C2CC2)cc1)C1CC1	87012779	573738037	/nfs/dbraw/zinc/73/80/37/573738037.db2.gz	UCYMWRDTJSXDRC-CYBMUJFWSA-N	0	0	188.270	3.007	10	0		AGAERN
O[C@@H](c1ccc(C2CC2)cc1)C1CC1	87012777	573740858	/nfs/dbraw/zinc/74/08/58/573740858.db2.gz	UCYMWRDTJSXDRC-ZDUSSCGKSA-N	0	0	188.270	3.007	10	0		AGAERN
CC(C)[C@@H](O)c1cccc(C2CC2)c1	87012574	573739738	/nfs/dbraw/zinc/73/97/38/573739738.db2.gz	RDUKNYWHOQBQAP-CYBMUJFWSA-N	0	0	190.286	3.253	10	0		AGAERN
CC[C@H](C)[C@@](C)(O)c1ccc(C)s1	84006876	573739810	/nfs/dbraw/zinc/73/98/10/573739810.db2.gz	BWQPTGDEIOWLDV-GZMMTYOYSA-N	0	0	198.331	3.310	10	0		AGAERN
Cc1ccc([C@@H]2CCC(=O)[C@@H]2C)s1	84020524	573739825	/nfs/dbraw/zinc/73/98/25/573739825.db2.gz	UUVIEZJTZBZHJQ-RKDXNWHRSA-N	0	0	194.299	3.139	10	0		AGAERN
CC(=O)CCc1cccc(C2CC2)c1	87014011	573739971	/nfs/dbraw/zinc/73/99/71/573739971.db2.gz	CWULNSXRAIJYEM-UHFFFAOYSA-N	0	0	188.270	3.086	10	0		AGAERN
Cc1sc2cccc(O)c2c1C	238499912	573740101	/nfs/dbraw/zinc/74/01/01/573740101.db2.gz	FOFQFWCCNUESLH-UHFFFAOYSA-N	0	0	178.256	3.224	10	0		AGAERN
Cc1ccc([C@H]2CCC[C@@H](O)C2)s1	84021176	573740107	/nfs/dbraw/zinc/74/01/07/573740107.db2.gz	KZMQBMRKMPEYFX-VHSXEESVSA-N	0	0	196.315	3.075	10	0		AGAERN
O[C@H](c1ccccc1C1CC1)C1CC1	87015284	573740350	/nfs/dbraw/zinc/74/03/50/573740350.db2.gz	ZDGCPJMZPZFLPK-ZDUSSCGKSA-N	0	0	188.270	3.007	10	0		AGAERN
Cc1ccc(C2(O)CCCCC2)s1	84006738	573741423	/nfs/dbraw/zinc/74/14/23/573741423.db2.gz	KZBPPZOPMHCTKK-UHFFFAOYSA-N	0	0	196.315	3.208	10	0		AGAERN
CC(C)[C@H](O)c1cccc(C2CC2)c1	87012572	573740522	/nfs/dbraw/zinc/74/05/22/573740522.db2.gz	RDUKNYWHOQBQAP-ZDUSSCGKSA-N	0	0	190.286	3.253	10	0		AGAERN
CC[C@@H](O)c1ccccc1C1CC1	87015238	573740530	/nfs/dbraw/zinc/74/05/30/573740530.db2.gz	HTMSCDVZIIOBOG-GFCCVEGCSA-N	0	0	176.259	3.007	10	0		AGAERN
Cc1ccc2sc(C3CC3)nc2c1	238502354	573740535	/nfs/dbraw/zinc/74/05/35/573740535.db2.gz	JVYVIBCKKODWHV-UHFFFAOYSA-N	0	0	189.283	3.482	10	0		AGAERN
CC(=O)[C@H]1CCCCC/C=C/1C	238073290	573740615	/nfs/dbraw/zinc/74/06/15/573740615.db2.gz	DVUKBKRSFKNPEZ-DJYGCBNOSA-N	0	0	166.264	3.102	10	0		AGAERN
CC[C@@H](C)[C@](C)(O)c1ccc(C)s1	84006872	573740916	/nfs/dbraw/zinc/74/09/16/573740916.db2.gz	BWQPTGDEIOWLDV-KCJUWKMLSA-N	0	0	198.331	3.310	10	0		AGAERN
CC(=O)C[C@H](C)c1ccc(C)s1	84020516	573740763	/nfs/dbraw/zinc/74/07/63/573740763.db2.gz	LGHCUVJDXTXTLZ-ZETCQYMHSA-N	0	0	182.288	3.139	10	0		AGAERN
CC(C)[C@H](O)c1ccccc1C1CC1	87015167	573740777	/nfs/dbraw/zinc/74/07/77/573740777.db2.gz	HTEIBUJKLAUHPT-ZDUSSCGKSA-N	0	0	190.286	3.253	10	0		AGAERN
Cc1ccc([C@]2(O)CC[C@H](C)C2)s1	84007161	573741076	/nfs/dbraw/zinc/74/10/76/573741076.db2.gz	VRJRWCIHTKHTTF-KWQFWETISA-N	0	0	196.315	3.064	10	0		AGAERN
Cc1ccc(C(C)(C)C[C@@H](C)O)s1	84021246	573741111	/nfs/dbraw/zinc/74/11/11/573741111.db2.gz	NZVWRKDTEBIWOD-MRVPVSSYSA-N	0	0	198.331	3.105	10	0		AGAERN
Cc1ccc([C@@H]2CCC(=O)[C@H]2C)s1	84020531	573741117	/nfs/dbraw/zinc/74/11/17/573741117.db2.gz	UUVIEZJTZBZHJQ-DTWKUNHWSA-N	0	0	194.299	3.139	10	0		AGAERN
Cc1ccc([C@]2(O)CC[C@@H](C)C2)s1	84007164	573741238	/nfs/dbraw/zinc/74/12/38/573741238.db2.gz	VRJRWCIHTKHTTF-KCJUWKMLSA-N	0	0	196.315	3.064	10	0		AGAERN
Cc1ccsc1[C@]1(O)CC[C@@H](C)C1	87020781	573741629	/nfs/dbraw/zinc/74/16/29/573741629.db2.gz	DXIFLODLXZBVNJ-KCJUWKMLSA-N	0	0	196.315	3.064	10	0		AGAERN
CCCCc1ccc2c(c1)CCC2=O	143232996	573741641	/nfs/dbraw/zinc/74/16/41/573741641.db2.gz	SFMBTLFEZLQRNG-UHFFFAOYSA-N	0	0	188.270	3.158	10	0		AGAERN
CC[C@](O)(c1ccc(C)s1)C1CC1	84007219	573741649	/nfs/dbraw/zinc/74/16/49/573741649.db2.gz	UIIWEFBFRIELTJ-LLVKDONJSA-N	0	0	196.315	3.064	10	0		AGAERN
Cc1ccc([C@@]2(O)CCC[C@@H]2C)s1	84007231	573741715	/nfs/dbraw/zinc/74/17/15/573741715.db2.gz	XOQWQSBIRZOJDS-GZMMTYOYSA-N	0	0	196.315	3.064	10	0		AGAERN
CC(=O)C[C@@H](C)c1ccc(C)s1	84020519	573742054	/nfs/dbraw/zinc/74/20/54/573742054.db2.gz	LGHCUVJDXTXTLZ-SSDOTTSWSA-N	0	0	182.288	3.139	10	0		AGAERN
CC[C@@](O)(c1ccc(C)s1)C(C)C	84006879	573742190	/nfs/dbraw/zinc/74/21/90/573742190.db2.gz	FDLVEADTMAYDRA-NSHDSACASA-N	0	0	198.331	3.310	10	0		AGAERN
CC(=O)CC(C)(C)c1sccc1C	87023019	573742272	/nfs/dbraw/zinc/74/22/72/573742272.db2.gz	LZAVMOFORWGOGR-UHFFFAOYSA-N	0	0	196.315	3.313	10	0		AGAERN
Cc1ccc([C@]2(O)CCC[C@@H]2C)s1	84007229	573742385	/nfs/dbraw/zinc/74/23/85/573742385.db2.gz	XOQWQSBIRZOJDS-KWQFWETISA-N	0	0	196.315	3.064	10	0		AGAERN
CCc1cc2c(O)cccc2s1	144856517	573743208	/nfs/dbraw/zinc/74/32/08/573743208.db2.gz	XHDBRMHZLQMEAV-UHFFFAOYSA-N	0	0	178.256	3.169	10	0		AGAERN
Oc1ccc2c3c1CCC[C@@H]3CCC2	108300074	573743215	/nfs/dbraw/zinc/74/32/15/573743215.db2.gz	IOWVGECVWWCUSL-VIFPVBQESA-N	0	0	188.270	3.148	10	0		AGAERN
Cc1cnc(C(F)F)c(C)c1Cl	238501074	573743234	/nfs/dbraw/zinc/74/32/34/573743234.db2.gz	VJHKNEZYOAHHJU-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
CC1=C(C)[C@@H](C)Nc2ccccc2C1	238500691	573743264	/nfs/dbraw/zinc/74/32/64/573743264.db2.gz	JPHNCNHASIISCQ-LLVKDONJSA-N	0	0	187.286	3.380	10	0		AGAERN
Cc1ccsc1[C@H]1CCC[C@@H](O)C1	87023386	573743303	/nfs/dbraw/zinc/74/33/03/573743303.db2.gz	LEUHJCJZVLVIFK-VHSXEESVSA-N	0	0	196.315	3.075	10	0		AGAERN
Cc1ccc([C@@H]2CCC[C@@H](O)C2)s1	84021171	573743397	/nfs/dbraw/zinc/74/33/97/573743397.db2.gz	KZMQBMRKMPEYFX-NXEZZACHSA-N	0	0	196.315	3.075	10	0		AGAERN
C/C=C/[C@H](O)c1cc2ccccc2o1	238060415	573743402	/nfs/dbraw/zinc/74/34/02/573743402.db2.gz	DSDARNLQKKGYAV-FWYAXHSGSA-N	0	0	188.226	3.042	10	0		AGAERN
Cc1ccsc1[C@]1(O)CCC[C@H]1C	87020850	573743410	/nfs/dbraw/zinc/74/34/10/573743410.db2.gz	WZZRAWTWRWXIID-KOLCDFICSA-N	0	0	196.315	3.064	10	0		AGAERN
Cc1ccc(C(C)(C)C[C@H](C)O)s1	84021249	573743466	/nfs/dbraw/zinc/74/34/66/573743466.db2.gz	NZVWRKDTEBIWOD-QMMMGPOBSA-N	0	0	198.331	3.105	10	0		AGAERN
Cc1ccsc1[C@H]1CCC(=O)[C@H]1C	87023028	573743471	/nfs/dbraw/zinc/74/34/71/573743471.db2.gz	PMWGWKJONVEVBA-IUCAKERBSA-N	0	0	194.299	3.139	10	0		AGAERN
Cc1ccc([C@H]2CCC(=O)[C@@H]2C)s1	84020527	573743525	/nfs/dbraw/zinc/74/35/25/573743525.db2.gz	UUVIEZJTZBZHJQ-BDAKNGLRSA-N	0	0	194.299	3.139	10	0		AGAERN
CSCc1cc2ccccc2[nH]1	258115138	573743531	/nfs/dbraw/zinc/74/35/31/573743531.db2.gz	SZGZHHBFSYYZPJ-UHFFFAOYSA-N	0	0	177.272	3.031	10	0		AGAERN
CC(=O)CC(C)(C)c1ccc(C)s1	84020522	573743532	/nfs/dbraw/zinc/74/35/32/573743532.db2.gz	YCUSNARUJKBDHH-UHFFFAOYSA-N	0	0	196.315	3.313	10	0		AGAERN
Nc1ccc2c3c1CCC[C@@H]3CCC2	108299604	573743545	/nfs/dbraw/zinc/74/35/45/573743545.db2.gz	GRHLOTUUFBSJTE-VIFPVBQESA-N	0	0	187.286	3.025	10	0		AGAERN
Cc1ccc([C@@H]2CCCCC2=O)s1	84020192	573743603	/nfs/dbraw/zinc/74/36/03/573743603.db2.gz	UKBJKYMPNYUZPT-SECBINFHSA-N	0	0	194.299	3.283	10	0		AGAERN
Cc1cc2c(F)cccc2nc1Cl	238501854	573743727	/nfs/dbraw/zinc/74/37/27/573743727.db2.gz	DUUHTALYRZHCRC-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
Cc1ccc(Sc2cc[nH]c2)cc1	238501137	573743760	/nfs/dbraw/zinc/74/37/60/573743760.db2.gz	URCVNORIYGLFGJ-UHFFFAOYSA-N	0	0	189.283	3.474	10	0		AGAERN
Cc1ccsc1[C@@]1(O)CCC[C@@H]1C	87020848	573743850	/nfs/dbraw/zinc/74/38/50/573743850.db2.gz	WZZRAWTWRWXIID-GXSJLCMTSA-N	0	0	196.315	3.064	10	0		AGAERN
Clc1nc(C2CCCCC2)c[nH]1	258420249	573743940	/nfs/dbraw/zinc/74/39/40/573743940.db2.gz	CRSHOKHKPYLDNR-UHFFFAOYSA-N	0	0	184.670	3.111	10	0		AGAERN
Cc1ccsc1[C@@H]1CCC(=O)[C@@H]1C	87023020	573743954	/nfs/dbraw/zinc/74/39/54/573743954.db2.gz	PMWGWKJONVEVBA-RKDXNWHRSA-N	0	0	194.299	3.139	10	0		AGAERN
Cc1ccc([C@@]2(O)CC[C@@H](C)C2)s1	84007165	573743975	/nfs/dbraw/zinc/74/39/75/573743975.db2.gz	VRJRWCIHTKHTTF-LDYMZIIASA-N	0	0	196.315	3.064	10	0		AGAERN
Cc1ccc([C@@]2(O)CC[C@H](C)C2)s1	84007162	573743999	/nfs/dbraw/zinc/74/39/99/573743999.db2.gz	VRJRWCIHTKHTTF-GZMMTYOYSA-N	0	0	196.315	3.064	10	0		AGAERN
Cc1ccsc1[C@]1(O)CCC[C@@H]1C	87020847	573744240	/nfs/dbraw/zinc/74/42/40/573744240.db2.gz	WZZRAWTWRWXIID-ONGXEEELSA-N	0	0	196.315	3.064	10	0		AGAERN
CC[C@H](C)[C@](C)(O)c1ccc(C)s1	84006873	573744033	/nfs/dbraw/zinc/74/40/33/573744033.db2.gz	BWQPTGDEIOWLDV-KWQFWETISA-N	0	0	198.331	3.310	10	0		AGAERN
Cc1ccc([C@H]2CCC[C@H](O)C2)s1	84021168	573744038	/nfs/dbraw/zinc/74/40/38/573744038.db2.gz	KZMQBMRKMPEYFX-UWVGGRQHSA-N	0	0	196.315	3.075	10	0		AGAERN
Cc1ccsc1[C@H]1CCC[C@H](O)C1	87023381	573744039	/nfs/dbraw/zinc/74/40/39/573744039.db2.gz	LEUHJCJZVLVIFK-UWVGGRQHSA-N	0	0	196.315	3.075	10	0		AGAERN
Cc1cc2c(Cl)ncc(C)c2o1	238501352	573744160	/nfs/dbraw/zinc/74/41/60/573744160.db2.gz	HYGGQYNGBBKXFN-UHFFFAOYSA-N	0	0	181.622	3.098	10	0		AGAERN
Cc1ccsc1[C@H]1CCCC(=O)C1	87022982	573744168	/nfs/dbraw/zinc/74/41/68/573744168.db2.gz	SZGGTOGXISZAIF-VIFPVBQESA-N	0	0	194.299	3.283	10	0		AGAERN
CCC[C@H](O)CCc1sccc1C	87023388	573745155	/nfs/dbraw/zinc/74/51/55/573745155.db2.gz	ZDBGSBKIDQZCDC-JTQLQIEISA-N	0	0	198.331	3.150	10	0		AGAERN
Cc1ccsc1C1(O)CCCCC1	87020540	573745109	/nfs/dbraw/zinc/74/51/09/573745109.db2.gz	RGFCNBKZJCAUBQ-UHFFFAOYSA-N	0	0	196.315	3.208	10	0		AGAERN
Cc1cc2c(C)c(C)[nH]c2cc1F	238497642	573748901	/nfs/dbraw/zinc/74/89/01/573748901.db2.gz	JFNYOBJLZWQRIG-UHFFFAOYSA-N	0	0	177.222	3.232	10	0		AGAERN
Cc1nc2cc(F)cc(C)c2s1	238496818	573749844	/nfs/dbraw/zinc/74/98/44/573749844.db2.gz	MWDLFVVWOOEHSY-UHFFFAOYSA-N	0	0	181.235	3.052	10	0		AGAERN
Cc1cc(Cl)c(Cl)c(N)c1C	238497384	573749862	/nfs/dbraw/zinc/74/98/62/573749862.db2.gz	DIYAWYQTZGGSHO-UHFFFAOYSA-N	0	0	190.073	3.192	10	0		AGAERN
CCCCCCc1ccc(N)s1	387656645	573748780	/nfs/dbraw/zinc/74/87/80/573748780.db2.gz	DMTAFIPPHNYZKL-UHFFFAOYSA-N	0	0	183.320	3.453	10	0		AGAERN
CC/C=C\C[C@H](O)C1=C(C)C1(C)C	214838313	573748962	/nfs/dbraw/zinc/74/89/62/573748962.db2.gz	IKLLGYBSPTWJGI-GFVADAIESA-N	0	0	180.291	3.060	10	0		AGAERN
CC(=O)c1ccc(C2CC2)c(C)c1	238065958	573749006	/nfs/dbraw/zinc/74/90/06/573749006.db2.gz	WBKRXMRPRHXHSD-UHFFFAOYSA-N	0	0	174.243	3.075	10	0		AGAERN
Cc1cc(Cl)c(F)c(C(F)F)n1	238498266	573749101	/nfs/dbraw/zinc/74/91/01/573749101.db2.gz	LCHDCTNEESHRPE-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
Cc1c(C)c2c(c(C)c1Cl)CC2=O	238496698	573749143	/nfs/dbraw/zinc/74/91/43/573749143.db2.gz	ZUWAXABKQKITHM-UHFFFAOYSA-N	0	0	194.661	3.004	10	0		AGAERN
Cc1ccc(F)cc1OC1CCC1	238497670	573749205	/nfs/dbraw/zinc/74/92/05/573749205.db2.gz	ISCQTXDTQIPTGV-UHFFFAOYSA-N	0	0	180.222	3.065	10	0		AGAERN
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2C	238496582	573749250	/nfs/dbraw/zinc/74/92/50/573749250.db2.gz	RAZOOPPBJREFIS-DTWKUNHWSA-N	0	0	176.259	3.311	10	0		AGAERN
O=Cc1ccc2scc(Cl)c2c1	108307597	573749307	/nfs/dbraw/zinc/74/93/07/573749307.db2.gz	BMGHMYKDMQIZJT-UHFFFAOYSA-N	0	0	196.658	3.367	10	0		AGAERN
Cc1coc2c(C3CC3)c(O)ccc12	238497037	573749396	/nfs/dbraw/zinc/74/93/96/573749396.db2.gz	PGTRWJJOPDDBNA-UHFFFAOYSA-N	0	0	188.226	3.324	10	0		AGAERN
Cc1cc2c(C)cc(C)c(C)c2[nH]1	238498163	573749501	/nfs/dbraw/zinc/74/95/01/573749501.db2.gz	LGLITPCOEQNFBJ-UHFFFAOYSA-N	0	0	173.259	3.402	10	0		AGAERN
Cc1cc(C(F)F)c(Cl)c(F)n1	238504887	573753128	/nfs/dbraw/zinc/75/31/28/573753128.db2.gz	YZJUJSHKBGIFFP-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
Cc1cc(C)c2ccc(N)c-2c(C)c1	238498740	573753158	/nfs/dbraw/zinc/75/31/58/573753158.db2.gz	JRWODBPPTDVYJS-UHFFFAOYSA-N	0	0	185.270	3.299	10	0		AGAERN
Cc1sc(C=O)cc1-c1ccco1	98101249	573751644	/nfs/dbraw/zinc/75/16/44/573751644.db2.gz	BGWKSMATFGOFHT-UHFFFAOYSA-N	0	0	192.239	3.129	10	0		AGAERN
Cc1cc2c(C)cc(Cl)cc2[nH]1	238498198	573751662	/nfs/dbraw/zinc/75/16/62/573751662.db2.gz	DFMOFDVTGUHUPN-UHFFFAOYSA-N	0	0	179.650	3.438	10	0		AGAERN
Cc1ccc(/C(=C/CO)C(C)C)cc1	215356769	573751892	/nfs/dbraw/zinc/75/18/92/573751892.db2.gz	SCTPASORYICUPV-MDWZMJQESA-N	0	0	190.286	3.027	10	0		AGAERN
Nc1cc2c(cc1Cl)CCCCC2	108305815	573751768	/nfs/dbraw/zinc/75/17/68/573751768.db2.gz	YMFLDSPQJJUOBR-UHFFFAOYSA-N	0	0	195.693	3.191	10	0		AGAERN
Cc1cc(C)c2cc(C)c(O)cc2c1	238498251	573751782	/nfs/dbraw/zinc/75/17/82/573751782.db2.gz	BXHYEQVZMXVTIN-UHFFFAOYSA-N	0	0	186.254	3.471	10	0		AGAERN
Nc1cc2oc3ccccc3c2s1	98101394	573751804	/nfs/dbraw/zinc/75/18/04/573751804.db2.gz	ZTECWZIYBCTRNZ-UHFFFAOYSA-N	0	0	189.239	3.230	10	0		AGAERN
C/C=C/[C@@H]1c2c(O)cccc2C[C@H]1C	238064719	573751839	/nfs/dbraw/zinc/75/18/39/573751839.db2.gz	MHTYUEZCINCZNO-FYGOAMBHSA-N	0	0	188.270	3.244	10	0		AGAERN
Nc1cc(F)ccc1CC1CCCC1	257864564	573752259	/nfs/dbraw/zinc/75/22/59/573752259.db2.gz	RTPPNWLCUABNQE-UHFFFAOYSA-N	0	0	193.265	3.141	10	0		AGAERN
CC(=O)C1CCC/C=C/CCC1	238068227	573752479	/nfs/dbraw/zinc/75/24/79/573752479.db2.gz	AZIXERWGFCOYLZ-NSCUHMNNSA-N	0	0	166.264	3.102	10	0		AGAERN
Cc1cc2c(C)cccc2cc1O	238498472	573752705	/nfs/dbraw/zinc/75/27/05/573752705.db2.gz	UAULZOXAFSTTCQ-UHFFFAOYSA-N	0	0	172.227	3.162	10	0		AGAERN
C[C@]12CCC/C=C/C[C@H]1C(=O)CC2	238504997	573752623	/nfs/dbraw/zinc/75/26/23/573752623.db2.gz	CJNXEOMWZGAXHL-YAQYBTLWSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1cc2c(C)csc2cc1N	238498695	573752652	/nfs/dbraw/zinc/75/26/52/573752652.db2.gz	RFIXLLCCWYOXKI-UHFFFAOYSA-N	0	0	177.272	3.100	10	0		AGAERN
Cc1nc(C(F)F)cc(Cl)c1C	238499654	573752672	/nfs/dbraw/zinc/75/26/72/573752672.db2.gz	NNUHOUSMAIOFSN-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
CC1=C2CCCC[C@@]2(C)CC[C@H]1O	143354905	573752774	/nfs/dbraw/zinc/75/27/74/573752774.db2.gz	KXLXSKGVZAMDLW-NEPJUHHUSA-N	0	0	180.291	3.038	10	0		AGAERN
Cc1cc(Cl)c(F)nc1C(F)F	238498463	573752831	/nfs/dbraw/zinc/75/28/31/573752831.db2.gz	KQHSNIBIIFVIRJ-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
Cc1c(C=O)cc2ccccc2c1C	238498691	573752934	/nfs/dbraw/zinc/75/29/34/573752934.db2.gz	FAQGXURKXLXUAE-UHFFFAOYSA-N	0	0	184.238	3.269	10	0		AGAERN
Cc1c(F)ncc(Cl)c1C(F)F	238498721	573753086	/nfs/dbraw/zinc/75/30/86/573753086.db2.gz	XXPRDGNUTRGTHB-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
CC(C)=C(F)/C=C/Cl	224652208	573759087	/nfs/dbraw/zinc/75/90/87/573759087.db2.gz	GGEKOJWIHYMCEA-ONEGZZNKSA-N	0	0	134.581	3.002	10	0		AGAERN
O=N[C@H]1CC[C@@]1(Cl)c1ccccc1	238506524	573759088	/nfs/dbraw/zinc/75/90/88/573759088.db2.gz	XMSSOLLDJGMCRN-VHSXEESVSA-N	0	0	195.649	3.050	10	0		AGAERN
Cc1cc(C)c2c(c1)[C@H]1CCC[C@H]1N2	238506661	573759100	/nfs/dbraw/zinc/75/91/00/573759100.db2.gz	QCCQQPVVPFGQPV-ZYHUDNBSSA-N	0	0	187.286	3.365	10	0		AGAERN
CC(C)(C)[C@H]1C[C@H]1c1ccsc1N	238097635	573759771	/nfs/dbraw/zinc/75/97/71/573759771.db2.gz	RIUMYOYQQJWKGB-IUCAKERBSA-N	0	0	195.331	3.480	10	0		AGAERN
Cc1cccc([C@@H]2CC2(C)C)c1N	238505704	573757859	/nfs/dbraw/zinc/75/78/59/573757859.db2.gz	MAIGSRJRVLVNIH-JTQLQIEISA-N	0	0	175.275	3.091	10	0		AGAERN
C/C=C1/CC[C@@H]2C(=O)CCC[C@]12C	238077047	573757914	/nfs/dbraw/zinc/75/79/14/573757914.db2.gz	PBVSOVYHVQKTCT-HSWQGUFNSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1ccc(Cl)c2cc(C=O)oc12	84058523	573757970	/nfs/dbraw/zinc/75/79/70/573757970.db2.gz	ZBWRCIOTQDSQHM-UHFFFAOYSA-N	0	0	194.617	3.207	10	0		AGAERN
Oc1ccc([C@H]2CC[C@@H]2C(F)F)cc1	258120068	573758017	/nfs/dbraw/zinc/75/80/17/573758017.db2.gz	PKPLMPVRYDVPRT-ZJUUUORDSA-N	0	0	198.212	3.151	10	0		AGAERN
Cc1cc(C(F)F)c(F)c(Cl)n1	238505914	573758027	/nfs/dbraw/zinc/75/80/27/573758027.db2.gz	JRMQNUGSEOAEQC-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
C/C(=C/[C@@H]1C[C@H](C)CC(C)(C)C1)CO	238505559	573758105	/nfs/dbraw/zinc/75/81/05/573758105.db2.gz	RPJMNVCFBIXDSG-COPNJLSZSA-N	0	0	196.334	3.387	10	0		AGAERN
CC(C)(C)[C@H]1C[C@H]1c1cscc1N	238097664	573758279	/nfs/dbraw/zinc/75/82/79/573758279.db2.gz	TVDIVMNHVGCFIC-CBAPKCEASA-N	0	0	195.331	3.480	10	0		AGAERN
C[C@@]12C=CCC[C@]1(C)CCC(=O)C2	238505427	573758387	/nfs/dbraw/zinc/75/83/87/573758387.db2.gz	KBSAHKQSDHJXBL-NEPJUHHUSA-N	0	0	178.275	3.102	10	0		AGAERN
Oc1ccc2c(c1)Nc1ccccc1N2	238708845	573758464	/nfs/dbraw/zinc/75/84/64/573758464.db2.gz	MUVWSHUHOHVPET-UHFFFAOYSA-N	0	0	198.225	3.193	10	0		AGAERN
CSCc1cc2cccc(F)c2o1	257867225	573758469	/nfs/dbraw/zinc/75/84/69/573758469.db2.gz	HFWLAJJRYUGDTC-UHFFFAOYSA-N	0	0	196.246	3.435	10	0		AGAERN
Cc1cc2ccc(O)cc2n1C(C)C	259620166	573758505	/nfs/dbraw/zinc/75/85/05/573758505.db2.gz	FDCNBNNMZYQFCF-UHFFFAOYSA-N	0	0	189.258	3.236	10	0		AGAERN
C[C@H]1C[C@@H]1C(=O)CC1=CCCCC1	238505629	573758540	/nfs/dbraw/zinc/75/85/40/573758540.db2.gz	FCHBQFJCFDSMJG-ONGXEEELSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1cc(C(F)F)c(F)nc1Cl	238506405	573758613	/nfs/dbraw/zinc/75/86/13/573758613.db2.gz	JAYVYGGSAROLMQ-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
C/C=C1/CC[C@H]2CC(=O)CC[C@@]12C	238077592	573758879	/nfs/dbraw/zinc/75/88/79/573758879.db2.gz	UTWKTQDNUZCLGG-PPFFUWBBSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1cc(C)cc(OC2CCC2)c1	238505179	573758949	/nfs/dbraw/zinc/75/89/49/573758949.db2.gz	RMHXXPBYYQWWIO-UHFFFAOYSA-N	0	0	176.259	3.235	10	0		AGAERN
Cc1cnc(C(F)F)c(Cl)c1F	238505616	573759079	/nfs/dbraw/zinc/75/90/79/573759079.db2.gz	BEUJWZYNZLQZMH-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
CC(=O)c1ccc([C@H]2CC[C@H]2F)cc1	259620184	573758986	/nfs/dbraw/zinc/75/89/86/573758986.db2.gz	FDDSVOGUMMGPIM-VXGBXAGGSA-N	0	0	192.233	3.105	10	0		AGAERN
CC1=CC[C@@](CO)([C@@H](C)C(C)C)CC1	224648223	573759055	/nfs/dbraw/zinc/75/90/55/573759055.db2.gz	ZSJCFLFNSDPJTB-QWHCGFSZSA-N	0	0	196.334	3.387	10	0		AGAERN
C[C@]12CCC=C[C@H]1CCCCC2=O	238505538	573759066	/nfs/dbraw/zinc/75/90/66/573759066.db2.gz	WAMQSFGZIUTWDP-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@H]1CC(C)(C)c2cccc(F)c2N1	258120010	573759191	/nfs/dbraw/zinc/75/91/91/573759191.db2.gz	ZUPQYOHYRYRYHQ-QMMMGPOBSA-N	0	0	193.265	3.307	10	0		AGAERN
Cc1c(F)cnc2ccc(Cl)cc12	257868236	573759146	/nfs/dbraw/zinc/75/91/46/573759146.db2.gz	SOICXSTUNYSCLJ-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
C[C@]12CCC=C[C@@H]1CCCCC2=O	238505380	573759245	/nfs/dbraw/zinc/75/92/45/573759245.db2.gz	WAMQSFGZIUTWDP-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
Oc1ccc([C@H]2CC[C@H]2C(F)F)cc1	258120056	573759270	/nfs/dbraw/zinc/75/92/70/573759270.db2.gz	PKPLMPVRYDVPRT-NXEZZACHSA-N	0	0	198.212	3.151	10	0		AGAERN
CC1=CC[C@](CO)([C@H](C)C(C)C)CC1	224648357	573759473	/nfs/dbraw/zinc/75/94/73/573759473.db2.gz	ZSJCFLFNSDPJTB-OLZOCXBDSA-N	0	0	196.334	3.387	10	0		AGAERN
C=C=CC[C@@H](O)c1ccc(Cl)cc1	143432785	573759555	/nfs/dbraw/zinc/75/95/55/573759555.db2.gz	ATBYGOQMBKHVBM-LLVKDONJSA-N	0	0	194.661	3.105	10	0		AGAERN
CC(=O)c1ccc([C@H]2CC[C@@H]2F)cc1	259620171	573759690	/nfs/dbraw/zinc/75/96/90/573759690.db2.gz	FDDSVOGUMMGPIM-NEPJUHHUSA-N	0	0	192.233	3.105	10	0		AGAERN
C/C=C1/CC[C@H]2C(=O)CCC[C@@]12C	238077419	573759877	/nfs/dbraw/zinc/75/98/77/573759877.db2.gz	PBVSOVYHVQKTCT-PPFFUWBBSA-N	0	0	178.275	3.102	10	0		AGAERN
C/C=C1/CC[C@@H]2CC(=O)CC[C@@]12C	238077289	573759718	/nfs/dbraw/zinc/75/97/18/573759718.db2.gz	UTWKTQDNUZCLGG-GLVDQLAASA-N	0	0	178.275	3.102	10	0		AGAERN
CCC(CC)c1cccc(CCO)c1	258121148	573759748	/nfs/dbraw/zinc/75/97/48/573759748.db2.gz	QNJPOOXIEWOFFU-UHFFFAOYSA-N	0	0	192.302	3.125	10	0		AGAERN
Cc1cnc(C(F)F)c(F)c1Cl	238506122	573760690	/nfs/dbraw/zinc/76/06/90/573760690.db2.gz	CMRLZILHIBZBBL-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
CC(C)(C)[C@H]1CCCCc2nc[nH]c21	238090851	573760739	/nfs/dbraw/zinc/76/07/39/573760739.db2.gz	ROGSHVJRIQQWEO-VIFPVBQESA-N	0	0	192.306	3.266	10	0		AGAERN
CC(=O)c1ccc([C@@H]2CC[C@H]2F)cc1	259620176	573760756	/nfs/dbraw/zinc/76/07/56/573760756.db2.gz	FDDSVOGUMMGPIM-NWDGAFQWSA-N	0	0	192.233	3.105	10	0		AGAERN
c1ccc2[nH]c(CC3CC3)cc2c1	238090809	573760777	/nfs/dbraw/zinc/76/07/77/573760777.db2.gz	LMUFWNBQUOVYHN-UHFFFAOYSA-N	0	0	171.243	3.120	10	0		AGAERN
Cc1cc([C@@H]2CC2(C)C)cc(C)c1N	238505544	573761002	/nfs/dbraw/zinc/76/10/02/573761002.db2.gz	JYWYVGXZNCLYRS-NSHDSACASA-N	0	0	189.302	3.399	10	0		AGAERN
Cc1cc(C(F)F)c(Cl)nc1F	238505430	573761023	/nfs/dbraw/zinc/76/10/23/573761023.db2.gz	PBDICUNVEICDAX-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
CC(=O)CC1=CC=CCCCC1	238089008	573761045	/nfs/dbraw/zinc/76/10/45/573761045.db2.gz	DAJOKTUWWGFGHK-UHFFFAOYSA-N	0	0	164.248	3.022	10	0		AGAERN
CC(=O)CC1=C[C@@H]2CCCC[C@@H]2C1	238090189	573761063	/nfs/dbraw/zinc/76/10/63/573761063.db2.gz	VHOXGOQMNNSYRX-NWDGAFQWSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)n1cnc2c1[C@H](C)CC[C@H]2C	76088224	573761237	/nfs/dbraw/zinc/76/12/37/573761237.db2.gz	BPCIMXZWSVNBLF-NXEZZACHSA-N	0	0	192.306	3.465	10	0		AGAERN
CC(C)n1cnc2c1[C@@H](C)CC[C@H]2C	76088218	573761294	/nfs/dbraw/zinc/76/12/94/573761294.db2.gz	BPCIMXZWSVNBLF-ZJUUUORDSA-N	0	0	192.306	3.465	10	0		AGAERN
CC[C@@H]1CCc2[nH]c(C(C)C)nc2C1	76090586	573763557	/nfs/dbraw/zinc/76/35/57/573763557.db2.gz	YHJDYTKIDSLBOD-SECBINFHSA-N	0	0	192.306	3.048	10	0		AGAERN
Cc1ccc2c(c1)C(C)(C)CC[C@H]2O	238506743	573761436	/nfs/dbraw/zinc/76/14/36/573761436.db2.gz	LYLWFVLCMNRRGM-GFCCVEGCSA-N	0	0	190.286	3.100	10	0		AGAERN
Cc1cc(C)c2c(c1)[C@@H]1CCC[C@@H]1N2	238506713	573761616	/nfs/dbraw/zinc/76/16/16/573761616.db2.gz	QCCQQPVVPFGQPV-JQWIXIFHSA-N	0	0	187.286	3.365	10	0		AGAERN
Cc1cc2cc(F)c(Cl)cc2[nH]1	238507491	573761719	/nfs/dbraw/zinc/76/17/19/573761719.db2.gz	ARONCGWGOXJRDJ-UHFFFAOYSA-N	0	0	183.613	3.269	10	0		AGAERN
Cc1cc(Cl)cc2cnsc12	238508012	573761750	/nfs/dbraw/zinc/76/17/50/573761750.db2.gz	DIKVKKPSOROGLF-UHFFFAOYSA-N	0	0	183.663	3.258	10	0		AGAERN
CC(=O)CC=C=CC1CCCCC1	238090467	573761925	/nfs/dbraw/zinc/76/19/25/573761925.db2.gz	UVFKEBIPABOJHU-UHFFFAOYSA-N	0	0	178.275	3.257	10	0		AGAERN
Cc1cccc(O[C@@H](C)C(C)C)c1	98203835	573762085	/nfs/dbraw/zinc/76/20/85/573762085.db2.gz	MUDWVDVNDUEYCB-NSHDSACASA-N	0	0	178.275	3.418	10	0		AGAERN
CC(=O)CC1=C[C@@H]2CCCC[C@H]2C1	238090217	573762149	/nfs/dbraw/zinc/76/21/49/573762149.db2.gz	VHOXGOQMNNSYRX-RYUDHWBXSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@]12CCCCC1=CCC(=O)CC2	238507979	573762292	/nfs/dbraw/zinc/76/22/92/573762292.db2.gz	QYNJCGFAZRDZBE-GFCCVEGCSA-N	0	0	178.275	3.246	10	0		AGAERN
C1=C(C2CC2)Cc2ccccc21	238089840	573762356	/nfs/dbraw/zinc/76/23/56/573762356.db2.gz	KMXOYTAWHAROBD-UHFFFAOYSA-N	0	0	156.228	3.036	10	0		AGAERN
C[C@@]12CC=CC[C@@]1(C)C(=O)CCC2	238506980	573762363	/nfs/dbraw/zinc/76/23/63/573762363.db2.gz	CSETZAIGJHUIKV-RYUDHWBXSA-N	0	0	178.275	3.102	10	0		AGAERN
Clc1ccncc1OC1CCCC1	238508191	573762443	/nfs/dbraw/zinc/76/24/43/573762443.db2.gz	YAMBGLZRKNQQEN-UHFFFAOYSA-N	0	0	197.665	3.056	10	0		AGAERN
C[C@@]12CC=CCC[C@@H]1C(=O)CCC2	238506755	573762584	/nfs/dbraw/zinc/76/25/84/573762584.db2.gz	YLGVCBIUQMRWBA-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(=O)CC1=CCCCC1(C)C	238089198	573762672	/nfs/dbraw/zinc/76/26/72/573762672.db2.gz	FXBPXFHBSFRNLK-UHFFFAOYSA-N	0	0	166.264	3.102	10	0		AGAERN
CC(C)n1cnc2c1[C@H](C)CC[C@@H]2C	76088230	573763328	/nfs/dbraw/zinc/76/33/28/573763328.db2.gz	BPCIMXZWSVNBLF-VHSXEESVSA-N	0	0	192.306	3.465	10	0		AGAERN
CC(=O)CC1=C[C@H]2CCCC[C@H]2C1	238090278	573763345	/nfs/dbraw/zinc/76/33/45/573763345.db2.gz	VHOXGOQMNNSYRX-NEPJUHHUSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(=O)CC1=C[C@H]2CCCC[C@@H]2C1	238090249	573763385	/nfs/dbraw/zinc/76/33/85/573763385.db2.gz	VHOXGOQMNNSYRX-VXGBXAGGSA-N	0	0	178.275	3.102	10	0		AGAERN
CSc1ccc(CF)cc1C	143454609	573764534	/nfs/dbraw/zinc/76/45/34/573764534.db2.gz	MQWGNRKVHAGXGP-UHFFFAOYSA-N	0	0	170.252	3.186	10	0		AGAERN
C[C@]12CCCC=C1CCC(=O)CC2	238507369	573764690	/nfs/dbraw/zinc/76/46/90/573764690.db2.gz	WTBHEEJNCJHTDT-GFCCVEGCSA-N	0	0	178.275	3.246	10	0		AGAERN
C[C@]12CCCCC=C1CCC(=O)C2	238508089	573764955	/nfs/dbraw/zinc/76/49/55/573764955.db2.gz	QSKASHSVOSQAEZ-GFCCVEGCSA-N	0	0	178.275	3.246	10	0		AGAERN
CCOCc1cc2cc(C)ccc2[nH]1	257868359	573765018	/nfs/dbraw/zinc/76/50/18/573765018.db2.gz	HNADDNCINZAADU-UHFFFAOYSA-N	0	0	189.258	3.013	10	0		AGAERN
CC(=O)[C@H]1CCCC2=C(CCC2)C1	238089550	573765189	/nfs/dbraw/zinc/76/51/89/573765189.db2.gz	RYIHZSPCNREVDV-NSHDSACASA-N	0	0	178.275	3.246	10	0		AGAERN
Cc1noc(N)c1C1CCCCCC1	257869118	573765273	/nfs/dbraw/zinc/76/52/73/573765273.db2.gz	SSUVQCDFCJUJSM-UHFFFAOYSA-N	0	0	194.278	3.003	10	0		AGAERN
CC(C)n1c2c([nH]c1=S)CCCC2	76095220	573766905	/nfs/dbraw/zinc/76/69/05/573766905.db2.gz	RJEOQOJHUWNZSR-UHFFFAOYSA-N	0	0	196.319	3.005	10	0		AGAERN
Cc1c(Cl)[nH]c2c(F)cccc12	258122947	573766042	/nfs/dbraw/zinc/76/60/42/573766042.db2.gz	ZNUHPVICAWYDOP-UHFFFAOYSA-N	0	0	183.613	3.269	10	0		AGAERN
CC(C)(C)[C@@H]1Cc2c(F)cccc2N1	108341063	573766219	/nfs/dbraw/zinc/76/62/19/573766219.db2.gz	RMSKAEGCEQTLLZ-NSHDSACASA-N	0	0	193.265	3.208	10	0		AGAERN
CC(=O)c1ccc([C@H]2C[C@@H]2C)cc1	238509822	573767031	/nfs/dbraw/zinc/76/70/31/573767031.db2.gz	PAVMDVMCJXKIAG-UFBFGSQYSA-N	0	0	174.243	3.013	10	0		AGAERN
CC(C)(C)[C@H]1Cc2c(F)cccc2N1	108341066	573766575	/nfs/dbraw/zinc/76/65/75/573766575.db2.gz	RMSKAEGCEQTLLZ-LLVKDONJSA-N	0	0	193.265	3.208	10	0		AGAERN
CC(C)(C)[C@H]1CC[C@@](C)(CO)CC1	238093488	573766695	/nfs/dbraw/zinc/76/66/95/573766695.db2.gz	CYAHEXKKRZIVIN-UMSPYCQHSA-N	0	0	184.323	3.221	10	0		AGAERN
c1cc(C2CC2)c2occc2c1	238096140	573769290	/nfs/dbraw/zinc/76/92/90/573769290.db2.gz	STCLCBZVJFCCSX-UHFFFAOYSA-N	0	0	158.200	3.310	10	0		AGAERN
Cc1ccc(Cl)cc1OC(C)C	84082826	573768887	/nfs/dbraw/zinc/76/88/87/573768887.db2.gz	WPBUISIUTNZRNH-UHFFFAOYSA-N	0	0	184.666	3.436	10	0		AGAERN
O=Cc1cccc(CC2CCCC2)c1	257872404	573768935	/nfs/dbraw/zinc/76/89/35/573768935.db2.gz	TXPIEQYQZAWIOE-UHFFFAOYSA-N	0	0	188.270	3.232	10	0		AGAERN
c1cc(C2CC2)c2ccoc2c1	238096183	573769012	/nfs/dbraw/zinc/76/90/12/573769012.db2.gz	GPOMOHUUUHXLAE-UHFFFAOYSA-N	0	0	158.200	3.310	10	0		AGAERN
CC(C)c1ccccc1C(C)(C)CO	257870501	573769045	/nfs/dbraw/zinc/76/90/45/573769045.db2.gz	YBEQCHQHMYUKND-UHFFFAOYSA-N	0	0	192.302	3.080	10	0		AGAERN
CC(C)(C)[C@H]1C[C@@H]1c1sccc1N	238096666	573769072	/nfs/dbraw/zinc/76/90/72/573769072.db2.gz	ZRKWWTFGSDOSLV-YUMQZZPRSA-N	0	0	195.331	3.480	10	0		AGAERN
CCC(C)(C)C[C@@H](O)c1cc(C)co1	716168919	573770186	/nfs/dbraw/zinc/77/01/86/573770186.db2.gz	NPLRDNFRQJKAIT-SNVBAGLBSA-N	0	0	196.290	3.448	10	0		AGAERN
Nc1c(Cl)cccc1CC1CCC1	257872372	573770086	/nfs/dbraw/zinc/77/00/86/573770086.db2.gz	TWUYWPHJCIKVCW-UHFFFAOYSA-N	0	0	195.693	3.265	10	0		AGAERN
Cc1cc(Cl)ccc1CF	238509434	573771128	/nfs/dbraw/zinc/77/11/28/573771128.db2.gz	NSXDRYNNBOHMLG-UHFFFAOYSA-N	0	0	158.603	3.118	10	0		AGAERN
c1ccc2c(c1)NCC1=C2CCC1	238099380	573771545	/nfs/dbraw/zinc/77/15/45/573771545.db2.gz	RBYAQIWCVVHQJJ-UHFFFAOYSA-N	0	0	171.243	3.050	10	0		AGAERN
Cc1cc2cccc(C)c2c(N)c1C	238511072	573771564	/nfs/dbraw/zinc/77/15/64/573771564.db2.gz	LNCSTHVRRMMVOP-UHFFFAOYSA-N	0	0	185.270	3.347	10	0		AGAERN
O=Cc1cn(C2CCC2)c2ccccc12	257875399	573771861	/nfs/dbraw/zinc/77/18/61/573771861.db2.gz	IYTDRJQRXUYVGE-UHFFFAOYSA-N	0	0	199.253	3.179	10	0		AGAERN
Cc1ccc2[nH]cc(C)c2c1C	238510645	573771952	/nfs/dbraw/zinc/77/19/52/573771952.db2.gz	GKDXIFCTGJWESL-UHFFFAOYSA-N	0	0	159.232	3.093	10	0		AGAERN
Cc1cccc(C)c1Nc1ncco1	238510612	573772099	/nfs/dbraw/zinc/77/20/99/573772099.db2.gz	JNSYXSRGOPRLLI-UHFFFAOYSA-N	0	0	188.230	3.035	10	0		AGAERN
CC(C)(C)[C@H]1CCC2=C(CC[C@H]2O)C1	238101540	573772113	/nfs/dbraw/zinc/77/21/13/573772113.db2.gz	HXODUXKVNRVDRX-CMPLNLGQSA-N	0	0	194.318	3.284	10	0		AGAERN
Cc1ccc(-c2nc(Cl)c[nH]2)s1	258513850	573772116	/nfs/dbraw/zinc/77/21/16/573772116.db2.gz	LCMOJNVGZYGFNT-UHFFFAOYSA-N	0	0	198.678	3.100	10	0		AGAERN
Cc1c[nH]c([C@H]2CCC[C@H](C)C2)n1	238511299	573772196	/nfs/dbraw/zinc/77/21/96/573772196.db2.gz	OZWDPRBKQIDCNT-WPRPVWTQSA-N	0	0	178.279	3.012	10	0		AGAERN
CC(Cl)C(=O)c1ccccc1	100134771	573772338	/nfs/dbraw/zinc/77/23/38/573772338.db2.gz	GIPHIIPWSJSJOB-CLFYSBASSA-N	0	0	168.623	3.172	10	0		AGAERN
Cc1ccccc1-c1coc(Cl)n1	257875251	573774023	/nfs/dbraw/zinc/77/40/23/573774023.db2.gz	UJJJDINUSADGMH-UHFFFAOYSA-N	0	0	193.633	3.303	10	0		AGAERN
CCc1ccc(C(F)F)c(Cl)n1	257875414	573774054	/nfs/dbraw/zinc/77/40/54/573774054.db2.gz	ULJVHODIDMUJOQ-UHFFFAOYSA-N	0	0	191.608	3.235	10	0		AGAERN
Oc1cccc([C@@H]2CC[C@@H]2C(F)F)c1	258127813	573776223	/nfs/dbraw/zinc/77/62/23/573776223.db2.gz	QBBOFKHYPXYXML-UWVGGRQHSA-N	0	0	198.212	3.151	10	0		AGAERN
CC1=NC(C2CCCC2)SC1=S	259179809	573775804	/nfs/dbraw/zinc/77/58/04/573775804.db2.gz	GFAZQPHEJXHOGG-UHFFFAOYSA-N	0	0	199.344	3.398	10	0		AGAERN
C/C=C\[C@@H](C)c1ccc(O)cc1	214879941	573775991	/nfs/dbraw/zinc/77/59/91/573775991.db2.gz	YFXHMCDHIHYBIP-ZBJFTSOASA-N	0	0	162.232	3.072	10	0		AGAERN
CCOCc1coc2c(F)cccc12	258128020	573776207	/nfs/dbraw/zinc/77/62/07/573776207.db2.gz	UTGIVCLNXKUKHA-UHFFFAOYSA-N	0	0	194.205	3.108	10	0		AGAERN
Clc1ccc2c(C3CC3)c[nH]c2n1	238511937	573777217	/nfs/dbraw/zinc/77/72/17/573777217.db2.gz	ZUDCRXFRUIUFFJ-UHFFFAOYSA-N	0	0	192.649	3.094	10	0		AGAERN
Cc1cnc(C)c(C(F)F)c1Cl	238512251	573777243	/nfs/dbraw/zinc/77/72/43/573777243.db2.gz	ANPHPVQMTSLQMO-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
Clc1cnccc1OC1CCCC1	238512956	573777301	/nfs/dbraw/zinc/77/73/01/573777301.db2.gz	ULLUCCBXOTVTTR-UHFFFAOYSA-N	0	0	197.665	3.056	10	0		AGAERN
c1cc2c(c(C3CC3)c1)CCCC2	238107913	573777561	/nfs/dbraw/zinc/77/75/61/573777561.db2.gz	GBRGHUAPULDBNQ-UHFFFAOYSA-N	0	0	172.271	3.443	10	0		AGAERN
CC1(C)[C@H](CO)[C@]1(C)CC1CCCC1	689822406	573777786	/nfs/dbraw/zinc/77/77/86/573777786.db2.gz	LRFCGVXKRCQPLM-AAEUAGOBSA-N	0	0	196.334	3.221	10	0		AGAERN
CC(=O)[C@@]12CCC=C[C@@H]1CCCC2	238105979	573778058	/nfs/dbraw/zinc/77/80/58/573778058.db2.gz	NDICDAHAVIELOM-NEPJUHHUSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@@]1(C)CCc2ccccc2N1	108368776	573778096	/nfs/dbraw/zinc/77/80/96/573778096.db2.gz	XYVOWLXYTSVSHO-LBPRGKRZSA-N	0	0	175.275	3.213	10	0		AGAERN
CC1(C)[C@@H](CO)[C@]1(C)CC1CCCC1	689822412	573778161	/nfs/dbraw/zinc/77/81/61/573778161.db2.gz	LRFCGVXKRCQPLM-YPMHNXCESA-N	0	0	196.334	3.221	10	0		AGAERN
CC(C)C1=C(CCO)C[C@H](C)CC1	238106140	573778192	/nfs/dbraw/zinc/77/81/92/573778192.db2.gz	IKWXUVGUMOKNKF-SNVBAGLBSA-N	0	0	182.307	3.141	10	0		AGAERN
CC[C@H](C)CNc1ccnc(Cl)c1	122641513	573779341	/nfs/dbraw/zinc/77/93/41/573779341.db2.gz	QYXVTFQHKAQSFA-QMMMGPOBSA-N	0	0	198.697	3.193	10	0		AGAERN
CC1(C)[C@H](CO)[C@@]1(C)CC1CCCC1	689822409	573779123	/nfs/dbraw/zinc/77/91/23/573779123.db2.gz	LRFCGVXKRCQPLM-WCQYABFASA-N	0	0	196.334	3.221	10	0		AGAERN
CCCCC[C@H](C)Nc1nc(C)co1	308735905	573779129	/nfs/dbraw/zinc/77/91/29/573779129.db2.gz	LJZRWGGYGNJEHQ-VIFPVBQESA-N	0	0	196.294	3.364	10	0		AGAERN
Cc1cccc(C)c1[C@@H]1CCC(=O)C1	238513493	573779384	/nfs/dbraw/zinc/77/93/84/573779384.db2.gz	GLCMBEUYYMHFTK-LLVKDONJSA-N	0	0	188.270	3.140	10	0		AGAERN
Cc1cccc(C)c1OC1CCC1	238512277	573779409	/nfs/dbraw/zinc/77/94/09/573779409.db2.gz	PLUJZTXFFZLDPZ-UHFFFAOYSA-N	0	0	176.259	3.235	10	0		AGAERN
Cc1cc2ccccc2c2nc[nH]c12	238512069	573779535	/nfs/dbraw/zinc/77/95/35/573779535.db2.gz	ATPXQSGMSDFRGL-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
Cc1ccc(C)c(OC(C)C)c1	84147660	573779580	/nfs/dbraw/zinc/77/95/80/573779580.db2.gz	WGJIHRZEAYNAEJ-UHFFFAOYSA-N	0	0	164.248	3.091	10	0		AGAERN
Clc1ccc2ccn(C3CC3)c2n1	238512671	573780447	/nfs/dbraw/zinc/78/04/47/573780447.db2.gz	BLUSKBDNYZJRBB-UHFFFAOYSA-N	0	0	192.649	3.025	10	0		AGAERN
C[C@@]1(C2CC2)Nc2ccccc2S1	238512054	573779817	/nfs/dbraw/zinc/77/98/17/573779817.db2.gz	RFALYMCSQNLKKT-LLVKDONJSA-N	0	0	191.299	3.330	10	0		AGAERN
Cc1coc([C@H](O)C2CC(C)(C)C2)c1	716170784	573779849	/nfs/dbraw/zinc/77/98/49/573779849.db2.gz	AFKHGLHSCNOJDT-LLVKDONJSA-N	0	0	194.274	3.058	10	0		AGAERN
CC(C)CO[C@H](C)c1cccc(N)c1	40908427	573779934	/nfs/dbraw/zinc/77/99/34/573779934.db2.gz	ZXTWLZPQSHSUOA-SNVBAGLBSA-N	0	0	193.290	3.002	10	0		AGAERN
Cc1cc(C)cc(OC/C=C/Cl)c1	84147671	573780098	/nfs/dbraw/zinc/78/00/98/573780098.db2.gz	GUTNLYAOODDWGA-ONEGZZNKSA-N	0	0	196.677	3.435	10	0		AGAERN
CC(C)(c1ccccc1)c1cc[nH]c1	238107277	573780188	/nfs/dbraw/zinc/78/01/88/573780188.db2.gz	CWSSAEYKLSZWEI-UHFFFAOYSA-N	0	0	185.270	3.341	10	0		AGAERN
Cc1cccc(C)c1[C@@H]1CCCC1=O	238513546	573780258	/nfs/dbraw/zinc/78/02/58/573780258.db2.gz	CPIKDBYUJZMBNZ-LLVKDONJSA-N	0	0	188.270	3.140	10	0		AGAERN
Cc1ccc(C)c(OCC(C)C)c1	84147662	573780473	/nfs/dbraw/zinc/78/04/73/573780473.db2.gz	KNOGDQVJBJOILG-UHFFFAOYSA-N	0	0	178.275	3.338	10	0		AGAERN
CCC(CC)c1cccc(CNO)c1	258118602	573780507	/nfs/dbraw/zinc/78/05/07/573780507.db2.gz	QHYQFGLDBYLOQD-UHFFFAOYSA-N	0	0	193.290	3.069	10	0		AGAERN
CC(=O)[C@]12CCCC[C@H]1CC=C2C	238106033	573780525	/nfs/dbraw/zinc/78/05/25/573780525.db2.gz	VLGNHMKAXICJGU-NWDGAFQWSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)C1=C(CCO)C[C@@H](C)CC1	238106112	573780627	/nfs/dbraw/zinc/78/06/27/573780627.db2.gz	IKWXUVGUMOKNKF-JTQLQIEISA-N	0	0	182.307	3.141	10	0		AGAERN
CC1(C)C[C@@](C)(C(C)(C)C)C1=O	238107407	573780784	/nfs/dbraw/zinc/78/07/84/573780784.db2.gz	IDROSPKPDJEPLV-LLVKDONJSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@]1(C)CCc2ccccc2N1	108368773	573780981	/nfs/dbraw/zinc/78/09/81/573780981.db2.gz	XYVOWLXYTSVSHO-GFCCVEGCSA-N	0	0	175.275	3.213	10	0		AGAERN
Cc1coc([C@@H](O)C2CC(C)(C)C2)c1	716170786	573782776	/nfs/dbraw/zinc/78/27/76/573782776.db2.gz	AFKHGLHSCNOJDT-NSHDSACASA-N	0	0	194.274	3.058	10	0		AGAERN
CCCCO[C@H](C)c1cccc(N)c1	40908541	573782826	/nfs/dbraw/zinc/78/28/26/573782826.db2.gz	STRVEMNAUJAGLX-SNVBAGLBSA-N	0	0	193.290	3.147	10	0		AGAERN
CC(=O)c1ccc2cccc(F)c2c1	108371601	573785499	/nfs/dbraw/zinc/78/54/99/573785499.db2.gz	CYFHRMXLDQBQCU-UHFFFAOYSA-N	0	0	188.201	3.182	10	0		AGAERN
Fc1c2ccccc2cn2cccc12	221877110	573784860	/nfs/dbraw/zinc/78/48/60/573784860.db2.gz	MDIWCVAMMMDGIE-UHFFFAOYSA-N	0	0	185.201	3.232	10	0		AGAERN
Cc1c[nH]c([C@@H]2CCC[C@H](C)C2)n1	238503739	573785198	/nfs/dbraw/zinc/78/51/98/573785198.db2.gz	OZWDPRBKQIDCNT-WCBMZHEXSA-N	0	0	178.279	3.012	10	0		AGAERN
CC(C)=C(C)C[C@@H]1CCCC1=O	238111869	573785601	/nfs/dbraw/zinc/78/56/01/573785601.db2.gz	UDBGXKPRVANEFB-JTQLQIEISA-N	0	0	166.264	3.102	10	0		AGAERN
Cc1c(F)ccc(OC2CCC2)c1C	238503339	573785619	/nfs/dbraw/zinc/78/56/19/573785619.db2.gz	YRIDYMWZWOACGE-UHFFFAOYSA-N	0	0	194.249	3.374	10	0		AGAERN
CC(C)=C(C)C[C@@H](O)c1ccco1	238111825	573785811	/nfs/dbraw/zinc/78/58/11/573785811.db2.gz	AOJOLEKVZDJQTF-SNVBAGLBSA-N	0	0	180.247	3.059	10	0		AGAERN
Cc1cccc(CC2CCCC2)c1N	257877250	573785943	/nfs/dbraw/zinc/78/59/43/573785943.db2.gz	UUTFPUHVGMZQGA-UHFFFAOYSA-N	0	0	189.302	3.310	10	0		AGAERN
C/C(=C\[C@H](C)O)c1ccc(Cl)cc1	388438527	573786272	/nfs/dbraw/zinc/78/62/72/573786272.db2.gz	RRYDMOPNXMXLMK-FLOXNTQESA-N	0	0	196.677	3.124	10	0		AGAERN
C/C=C(/c1ccccc1)[C@@H](O)CCC	308439977	573788031	/nfs/dbraw/zinc/78/80/31/573788031.db2.gz	CGHWNDADSMVCGF-VEIWZVCTSA-N	0	0	190.286	3.251	10	0		AGAERN
C/C=C/CC1=CCCC1	81140158	573788045	/nfs/dbraw/zinc/78/80/45/573788045.db2.gz	KZWMNRWQJMTVHI-NSCUHMNNSA-N	0	0	122.211	3.063	10	0		AGAERN
Cc1c2ccccc2nc2[nH]ccc12	238518028	573788048	/nfs/dbraw/zinc/78/80/48/573788048.db2.gz	YUBPPBMJZDYHRY-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
Cc1c(N)cc(Cl)c(C)c1Cl	238517590	573788119	/nfs/dbraw/zinc/78/81/19/573788119.db2.gz	CPICBCWZPCRRHM-UHFFFAOYSA-N	0	0	190.073	3.192	10	0		AGAERN
CC(C)[C@H]1CC[C@@H](C)CC1=O	100264942	573788244	/nfs/dbraw/zinc/78/82/44/573788244.db2.gz	CCJSKHHLZKFPGH-RKDXNWHRSA-N	0	0	154.253	3.130	10	0		AGAERN
CC(C)=C(C)c1cccc(O)c1	238113177	573788368	/nfs/dbraw/zinc/78/83/68/573788368.db2.gz	MNJAPWICYICJKU-UHFFFAOYSA-N	0	0	162.232	3.206	10	0		AGAERN
C/C(=C/c1cccc(C(F)F)c1)CO	125100160	573788408	/nfs/dbraw/zinc/78/84/08/573788408.db2.gz	VSABZBHTYSZAKR-YVMONPNESA-N	0	0	198.212	3.020	10	0		AGAERN
Cc1[nH]c(Cl)nc1-c1cccs1	258514892	573790297	/nfs/dbraw/zinc/79/02/97/573790297.db2.gz	GNAGEHKAIGINFS-UHFFFAOYSA-N	0	0	198.678	3.100	10	0		AGAERN
Cc1cc(C(F)F)nc(F)c1Cl	238518029	573788633	/nfs/dbraw/zinc/78/86/33/573788633.db2.gz	GBTUTVVYVDFEBR-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
Cc1cc(Cl)nc(C)c1C(F)F	238516996	573788658	/nfs/dbraw/zinc/78/86/58/573788658.db2.gz	ZTRRRDMVCGYHOG-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
CC(C)(C)/C=C/c1ccc[nH]1	238113709	573788661	/nfs/dbraw/zinc/78/86/61/573788661.db2.gz	GIHSKVAHJVRQKX-VOTSOKGWSA-N	0	0	149.237	3.074	10	0		AGAERN
Clc1cnc2[nH]cc(C3CC3)c2c1	238516909	573789063	/nfs/dbraw/zinc/78/90/63/573789063.db2.gz	GHEFAIVDQWAZFK-UHFFFAOYSA-N	0	0	192.649	3.094	10	0		AGAERN
Cc1cc(C(F)F)nc(Cl)c1C	238516899	573789142	/nfs/dbraw/zinc/78/91/42/573789142.db2.gz	RTSYPKMEIYQGOR-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
CC1CC[C@@H](C(C)C)CC1=O	100264997	573789179	/nfs/dbraw/zinc/78/91/79/573789179.db2.gz	KRHJVLJEYXQYBD-SECBINFHSA-N	0	0	154.253	3.275	10	0		AGAERN
c1ccc2c(c1)NCC1(CCC1)S2	259187720	573789453	/nfs/dbraw/zinc/78/94/53/573789453.db2.gz	JYDZKQXOJIABFL-UHFFFAOYSA-N	0	0	191.299	3.127	10	0		AGAERN
CCCNc1cc(C)c(Cl)cc1N	258942775	573789554	/nfs/dbraw/zinc/78/95/54/573789554.db2.gz	KWPSDZULLMNZRJ-UHFFFAOYSA-N	0	0	198.697	3.053	10	0		AGAERN
Cc1ccc2c(C)cccc2c1N	238517270	573790697	/nfs/dbraw/zinc/79/06/97/573790697.db2.gz	TZSXMDBOIYWOHT-UHFFFAOYSA-N	0	0	171.243	3.039	10	0		AGAERN
Cc1cc(Cl)nc(C)c1C1CC1	238517030	573790703	/nfs/dbraw/zinc/79/07/03/573790703.db2.gz	CBJDFMQDMDXAHL-UHFFFAOYSA-N	0	0	181.666	3.229	10	0		AGAERN
Cc1cc(C(F)F)c(Cl)c(C)n1	238504697	573789938	/nfs/dbraw/zinc/78/99/38/573789938.db2.gz	SFUIXSIPQUBFHF-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
CC1CC[C@H](C(C)C)CC1=O	100265000	573790021	/nfs/dbraw/zinc/79/00/21/573790021.db2.gz	KRHJVLJEYXQYBD-VIFPVBQESA-N	0	0	154.253	3.275	10	0		AGAERN
CC(=O)C[C@@H]1CCC2=C1CCCC2	238116795	573790151	/nfs/dbraw/zinc/79/01/51/573790151.db2.gz	BDOULBFOFQRBFO-NSHDSACASA-N	0	0	178.275	3.246	10	0		AGAERN
CC[C@H](O)/C=C(\C)CCC=C(C)C	33841607	573790261	/nfs/dbraw/zinc/79/02/61/573790261.db2.gz	PQUSMVMWVMGVGN-ZKQHCESOSA-N	0	0	182.307	3.450	10	0		AGAERN
Cc1ccc2nccc(OC3CC3)c2c1	238501023	573790317	/nfs/dbraw/zinc/79/03/17/573790317.db2.gz	IANIPWQIPREBSN-UHFFFAOYSA-N	0	0	199.253	3.084	10	0		AGAERN
Clc1ccccc1-c1ccns1	238504690	573790353	/nfs/dbraw/zinc/79/03/53/573790353.db2.gz	SHYOIKZYOYFINX-UHFFFAOYSA-N	0	0	195.674	3.464	10	0		AGAERN
Cc1nc2cc(C)c(F)cc2s1	238517240	573790567	/nfs/dbraw/zinc/79/05/67/573790567.db2.gz	YWBCGSCJHCNRKK-UHFFFAOYSA-N	0	0	181.235	3.052	10	0		AGAERN
CC(C)CC[C@@H]1CC[C@H](C)C1=O	238117364	573790613	/nfs/dbraw/zinc/79/06/13/573790613.db2.gz	BMBBMUQRFNFXJI-VHSXEESVSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1cc(C(F)F)nc(Cl)c1F	238517360	573790624	/nfs/dbraw/zinc/79/06/24/573790624.db2.gz	FLDGKGGSYSRIJS-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
CC(C)CC[C@@H]1CC[C@@H](C)C[C@@H]1O	238117236	573790893	/nfs/dbraw/zinc/79/08/93/573790893.db2.gz	JQNFCGSNPDGBIG-UTUOFQBUSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1ccc2c(C=O)ccc-2c(C)c1	238517831	573790908	/nfs/dbraw/zinc/79/09/08/573790908.db2.gz	DQLDRILUSWJVJQ-UHFFFAOYSA-N	0	0	184.238	3.221	10	0		AGAERN
CC[C@@H](O)/C=C(\C)CCC=C(C)C	33841608	573790966	/nfs/dbraw/zinc/79/09/66/573790966.db2.gz	PQUSMVMWVMGVGN-LMMOQWNQSA-N	0	0	182.307	3.450	10	0		AGAERN
CC(C)CC[C@@H]1CC[C@@H](C)C1=O	238117193	573790974	/nfs/dbraw/zinc/79/09/74/573790974.db2.gz	BMBBMUQRFNFXJI-NXEZZACHSA-N	0	0	168.280	3.038	10	0		AGAERN
C/C(=C/C=C\c1ccccc1)CCO	308440010	573791013	/nfs/dbraw/zinc/79/10/13/573791013.db2.gz	CNEOMNBFVCMXNS-QIRVBYKSSA-N	0	0	188.270	3.029	10	0		AGAERN
Cc1ccc2c(C)cc(O)c(C)c2c1	238517017	573791172	/nfs/dbraw/zinc/79/11/72/573791172.db2.gz	DUFZDYJBTMDRTP-UHFFFAOYSA-N	0	0	186.254	3.471	10	0		AGAERN
COC(=O)C/C=C(\C)CCC=C(C)C	33841623	573791186	/nfs/dbraw/zinc/79/11/86/573791186.db2.gz	NFUZCYMNMNFXQI-DHZHZOJOSA-N	0	0	196.290	3.242	10	0		AGAERN
CC(C)(C)c1c[nH]c2ccc(O)cc12	238116313	573791259	/nfs/dbraw/zinc/79/12/59/573791259.db2.gz	WKIVBYIWIRFAFN-UHFFFAOYSA-N	0	0	189.258	3.171	10	0		AGAERN
CCOC(=O)[C@@H]1[C@@H](C)CCCC1(C)C	36372858	573791514	/nfs/dbraw/zinc/79/15/14/573791514.db2.gz	TUEUDXZEBRMJEV-UWVGGRQHSA-N	0	0	198.306	3.012	10	0		AGAERN
C[C@@H]1CC(=O)C[C@@H](C(C)(C)C)C1	238518438	573791890	/nfs/dbraw/zinc/79/18/90/573791890.db2.gz	XTBLRIDDPIWKQO-IUCAKERBSA-N	0	0	168.280	3.038	10	0		AGAERN
Fc1cccc2c1NCC[C@@H]2C1CC1	257878335	573793047	/nfs/dbraw/zinc/79/30/47/573793047.db2.gz	UZTUYQMWUXXRHZ-SECBINFHSA-N	0	0	191.249	3.135	10	0		AGAERN
CC(C)CC[C@@H]1C(=O)CC[C@H]1C	238126961	573798089	/nfs/dbraw/zinc/79/80/89/573798089.db2.gz	RHNDQPJSPNAMRU-ZJUUUORDSA-N	0	0	168.280	3.038	10	0		AGAERN
CCSCCC[C@H](C)CC(C)=O	131228092	573798068	/nfs/dbraw/zinc/79/80/68/573798068.db2.gz	FUSJEBLVLLMIQE-VIFPVBQESA-N	0	0	188.336	3.135	10	0		AGAERN
Cc1cc(C)c([C@H](C)[C@@H](C)O)cc1C	87142056	573796806	/nfs/dbraw/zinc/79/68/06/573796806.db2.gz	FFBGYMYORYRYOS-VXGBXAGGSA-N	0	0	192.302	3.096	10	0		AGAERN
Cc1cc(C)c([C@@H](C)[C@H](C)O)cc1C	87142058	573797253	/nfs/dbraw/zinc/79/72/53/573797253.db2.gz	FFBGYMYORYRYOS-RYUDHWBXSA-N	0	0	192.302	3.096	10	0		AGAERN
CCCCCC[C@H](C)Nc1c[nH]cn1	308732501	573797364	/nfs/dbraw/zinc/79/73/64/573797364.db2.gz	KDYJGYFWRDNRJP-JTQLQIEISA-N	0	0	195.310	3.181	10	0		AGAERN
CC(C)(C)SCc1ccc(O)cc1	238126745	573797572	/nfs/dbraw/zinc/79/75/72/573797572.db2.gz	YRACHRMVOICEIB-UHFFFAOYSA-N	0	0	196.315	3.424	10	0		AGAERN
C1=Cc2ccc3cc[nH]c3c2CC1	238125849	573797846	/nfs/dbraw/zinc/79/78/46/573797846.db2.gz	IGBBRJWGJKMDCC-UHFFFAOYSA-N	0	0	169.227	3.127	10	0		AGAERN
Cc1cc(C)c([C@@H](C)[C@@H](C)O)cc1C	87142054	573798011	/nfs/dbraw/zinc/79/80/11/573798011.db2.gz	FFBGYMYORYRYOS-NWDGAFQWSA-N	0	0	192.302	3.096	10	0		AGAERN
CC(=O)[C@@]12CCC=C[C@H]1CCCC2	238105657	573798236	/nfs/dbraw/zinc/79/82/36/573798236.db2.gz	NDICDAHAVIELOM-RYUDHWBXSA-N	0	0	178.275	3.102	10	0		AGAERN
COSc1ccc2c(c1)CCCC2	259189242	573798309	/nfs/dbraw/zinc/79/83/09/573798309.db2.gz	JGSZFMXVPMKBMO-UHFFFAOYSA-N	0	0	194.299	3.219	10	0		AGAERN
CC(C)CC[C@H]1CC[C@H](C)C1=O	238125342	573798524	/nfs/dbraw/zinc/79/85/24/573798524.db2.gz	BMBBMUQRFNFXJI-UWVGGRQHSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1cccc(C)c1[C@H]1CCC(=O)C1	238514322	573798723	/nfs/dbraw/zinc/79/87/23/573798723.db2.gz	GLCMBEUYYMHFTK-NSHDSACASA-N	0	0	188.270	3.140	10	0		AGAERN
CC[C@H](C)CNc1cc(C)ccc1N	87150119	573801936	/nfs/dbraw/zinc/80/19/36/573801936.db2.gz	LUKQGEYNESTZMB-VIFPVBQESA-N	0	0	192.306	3.035	10	0		AGAERN
Cc1cccc(C)c1[C@H]1CCCC1=O	238514364	573800520	/nfs/dbraw/zinc/80/05/20/573800520.db2.gz	CPIKDBYUJZMBNZ-NSHDSACASA-N	0	0	188.270	3.140	10	0		AGAERN
C[C@H]1Cc2c(F)cccc2NC1(C)C	258128537	573800575	/nfs/dbraw/zinc/80/05/75/573800575.db2.gz	JYWNJPACJYCTJM-QMMMGPOBSA-N	0	0	193.265	3.208	10	0		AGAERN
Cc1ccccc1C(F)(F)C1CC1	258951677	573800636	/nfs/dbraw/zinc/80/06/36/573800636.db2.gz	FCWWYTOUOBAILG-UHFFFAOYSA-N	0	0	182.213	3.497	10	0		AGAERN
CC(C)CC[C@H]1CC[C@@H](C)C1=O	238125194	573800673	/nfs/dbraw/zinc/80/06/73/573800673.db2.gz	BMBBMUQRFNFXJI-ZJUUUORDSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1cc(C)c2nc(C(C)C)[nH]c2c1	76211225	573800722	/nfs/dbraw/zinc/80/07/22/573800722.db2.gz	IQCGTMFGQCMFKI-UHFFFAOYSA-N	0	0	188.274	3.303	10	0		AGAERN
CCC[C@@H](C)Nc1cc(C)ccc1N	87149480	573800714	/nfs/dbraw/zinc/80/07/14/573800714.db2.gz	CWZBISVFOSCMRC-SNVBAGLBSA-N	0	0	192.306	3.178	10	0		AGAERN
CC(C)=C1CCC2=C[C@H](O)CC[C@@H]2C1	238128463	573801961	/nfs/dbraw/zinc/80/19/61/573801961.db2.gz	JZVSJBUSXKTMJG-DGCLKSJQSA-N	0	0	192.302	3.204	10	0		AGAERN
C=C/C(C)=C/C[C@H](O)c1ccccc1	308443089	573802028	/nfs/dbraw/zinc/80/20/28/573802028.db2.gz	HQVPFTDGNGRKSR-STRFDMGBSA-N	0	0	188.270	3.242	10	0		AGAERN
Cn1cccc1-c1cccc(Cl)c1	238514397	573801642	/nfs/dbraw/zinc/80/16/42/573801642.db2.gz	YMRUGYBYJRLBRU-UHFFFAOYSA-N	0	0	191.661	3.346	10	0		AGAERN
CC[C@@H](C)CNc1cc(C)ccc1N	87150116	573801786	/nfs/dbraw/zinc/80/17/86/573801786.db2.gz	LUKQGEYNESTZMB-SECBINFHSA-N	0	0	192.306	3.035	10	0		AGAERN
CCc1ccc2[nH]c(C(C)C)nc2c1	76211227	573802068	/nfs/dbraw/zinc/80/20/68/573802068.db2.gz	JAHMICRJTXGZHM-UHFFFAOYSA-N	0	0	188.274	3.249	10	0		AGAERN
CCC(CC)[C@H]1C[C@@H](C)CCC1=O	87158166	573805406	/nfs/dbraw/zinc/80/54/06/573805406.db2.gz	KUXWDFPFQAFTCE-GXSJLCMTSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(CC)[C@@]1(O)CCCC[C@@H]1C	87158332	573805676	/nfs/dbraw/zinc/80/56/76/573805676.db2.gz	JNUUYLCCOIUEED-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC(F)(F)c1cccc(N)c1	258956963	573805701	/nfs/dbraw/zinc/80/57/01/573805701.db2.gz	GAELQGZRQBYDNF-UHFFFAOYSA-N	0	0	185.217	3.161	10	0		AGAERN
CC(C)=C1CC[C@]2(C)C[C@H]1CC2=O	238123294	573808442	/nfs/dbraw/zinc/80/84/42/573808442.db2.gz	WWEOFXDNBWINNM-BXKDBHETSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1(C)[C@H](O)C2=CCCCCCC[C@@H]21	308443690	573808500	/nfs/dbraw/zinc/80/85/00/573808500.db2.gz	ISKPKQNGYJKPQF-NWDGAFQWSA-N	0	0	194.318	3.284	10	0		AGAERN
CCC(CC)[C@]1(O)CCCC1(C)C	87158964	573808517	/nfs/dbraw/zinc/80/85/17/573808517.db2.gz	BUJBCEKBUKJXRS-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)=C1C[C@@H]1c1ccc(N)cc1	238123869	573808678	/nfs/dbraw/zinc/80/86/78/573808678.db2.gz	BWWVSFUPPDHPID-GFCCVEGCSA-N	0	0	173.259	3.093	10	0		AGAERN
CCC(CC)[C@@]1(O)CCC[C@H](C)C1	87158305	573808684	/nfs/dbraw/zinc/80/86/84/573808684.db2.gz	XTVBOHLEAJVWIT-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(CC)[C@]1(O)CCCC[C@H]1C	87158334	573808726	/nfs/dbraw/zinc/80/87/26/573808726.db2.gz	JNUUYLCCOIUEED-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(CC)[C@]1(O)CCC[C@H](C)C1	87158303	573808964	/nfs/dbraw/zinc/80/89/64/573808964.db2.gz	XTVBOHLEAJVWIT-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
C=Cc1ccc(C(C)(C)C)cc1O	238121712	573811177	/nfs/dbraw/zinc/81/11/77/573811177.db2.gz	VZAPZUITCMZYRR-UHFFFAOYSA-N	0	0	176.259	3.333	10	0		AGAERN
Cc1cc(Cc2ccccc2)[nH]c1C	238530167	573811134	/nfs/dbraw/zinc/81/11/34/573811134.db2.gz	UVHDCRPLJSFGJG-UHFFFAOYSA-N	0	0	185.270	3.222	10	0		AGAERN
C/C(=C/[C@H](C)c1ccccc1)[C@H](C)O	308443860	573811135	/nfs/dbraw/zinc/81/11/35/573811135.db2.gz	JEMKQWHGUUAAQM-XJNROGLQSA-N	0	0	190.286	3.117	10	0		AGAERN
CC(=O)C[C@]1(C)C=C(C)CCC1	238122815	573811354	/nfs/dbraw/zinc/81/13/54/573811354.db2.gz	ODVUDRZFYLSTHP-NSHDSACASA-N	0	0	166.264	3.102	10	0		AGAERN
CCC(CC)[C@@H]1Cc2ccccc2N1	87174383	573811431	/nfs/dbraw/zinc/81/14/31/573811431.db2.gz	ZDWYIGYOAJAUCK-ZDUSSCGKSA-N	0	0	189.302	3.459	10	0		AGAERN
Fc1ccc2sncc2c1Cl	238528806	573811445	/nfs/dbraw/zinc/81/14/45/573811445.db2.gz	SKNGVQBCEYYHBK-UHFFFAOYSA-N	0	0	187.626	3.089	10	0		AGAERN
Cc1nc(Cl)c(C(F)F)cc1F	238529924	573811486	/nfs/dbraw/zinc/81/14/86/573811486.db2.gz	XQUOYNQMSTYONH-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
C=Cc1cc2cc(Cl)ccc2n1C	238530134	573811599	/nfs/dbraw/zinc/81/15/99/573811599.db2.gz	ZVMBMXDOJFLQFI-UHFFFAOYSA-N	0	0	191.661	3.475	10	0		AGAERN
CC[C@@H](C)[C@@H](O)C(C)(C)C(C)(C)C	393564135	573812558	/nfs/dbraw/zinc/81/25/58/573812558.db2.gz	MOZSQWOZMVLCSL-NXEZZACHSA-N	0	0	186.339	3.466	10	0		AGAERN
CCC(CC)[C@H]1CCC(=O)[C@@H]1C	87174555	573812562	/nfs/dbraw/zinc/81/25/62/573812562.db2.gz	BEJAXOMMSQAUPQ-SCZZXKLOSA-N	0	0	168.280	3.038	10	0		AGAERN
CC/C=C/CCCCCC1OCCO1	222094439	573812670	/nfs/dbraw/zinc/81/26/70/573812670.db2.gz	UKTMUKFVGAQZJU-ONEGZZNKSA-N	0	0	198.306	3.276	10	0		AGAERN
Nc1ccc(F)c2cc(Cl)ccc12	258145349	573813704	/nfs/dbraw/zinc/81/37/04/573813704.db2.gz	RLMWMXWJBSZGRY-UHFFFAOYSA-N	0	0	195.624	3.215	10	0		AGAERN
CNc1cccc(CC2CCC2)c1	259199908	573812786	/nfs/dbraw/zinc/81/27/86/573812786.db2.gz	RUUHGSBCJFERJC-UHFFFAOYSA-N	0	0	175.275	3.071	10	0		AGAERN
CCC(CC)[C@H]1CCCC(=O)C1	87174490	573812963	/nfs/dbraw/zinc/81/29/63/573812963.db2.gz	XGWLVDYWDAXSKE-JTQLQIEISA-N	0	0	168.280	3.182	10	0		AGAERN
CCCC[C@@H](CC)C[C@@H](O)C1CC1	43456370	573812980	/nfs/dbraw/zinc/81/29/80/573812980.db2.gz	ZVCAEHBIBQNKPR-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(=O)C1=CCCCCCC1	223505164	573813044	/nfs/dbraw/zinc/81/30/44/573813044.db2.gz	BFPPOZFQSMYUPZ-PGDNHEGOSA-N	0	0	152.237	3.339	10	0		AGAERN
Cc1csc2cc([C@@H](C)O)ccc12	258141605	573813059	/nfs/dbraw/zinc/81/30/59/573813059.db2.gz	QLLLCRAQTFQENL-MRVPVSSYSA-N	0	0	192.283	3.263	10	0		AGAERN
Nc1cccc([C@H](C(F)F)C2CC2)c1	258141783	573813148	/nfs/dbraw/zinc/81/31/48/573813148.db2.gz	RBBGTSUKRKSQNE-SNVBAGLBSA-N	0	0	197.228	3.028	10	0		AGAERN
CCOCc1cc2c(C)cccc2[nH]1	257879906	573813211	/nfs/dbraw/zinc/81/32/11/573813211.db2.gz	JZYIUXICLWQXJV-UHFFFAOYSA-N	0	0	189.258	3.013	10	0		AGAERN
CCCC[C@H](CC)C[C@@H](O)C1CC1	43456372	573813297	/nfs/dbraw/zinc/81/32/97/573813297.db2.gz	ZVCAEHBIBQNKPR-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(=O)CCC(CC)CC	87174497	573813338	/nfs/dbraw/zinc/81/33/38/573813338.db2.gz	HVHFDZQVQBSSIL-UHFFFAOYSA-N	0	0	156.269	3.182	10	0		AGAERN
CC[C@H](C)[C@H](O)C(C)(C)C(C)(C)C	393564136	573813493	/nfs/dbraw/zinc/81/34/93/573813493.db2.gz	MOZSQWOZMVLCSL-UWVGGRQHSA-N	0	0	186.339	3.466	10	0		AGAERN
C=Cc1ccc2c(c1)CCCS2	238136392	573818489	/nfs/dbraw/zinc/81/84/89/573818489.db2.gz	CUMSKHLUAXRDDK-UHFFFAOYSA-N	0	0	176.284	3.368	10	0		AGAERN
CCC(CC)[C@@H]1CCC(=O)[C@H]1C	87174557	573814509	/nfs/dbraw/zinc/81/45/09/573814509.db2.gz	BEJAXOMMSQAUPQ-WCBMZHEXSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)CC1=C[C@@H](O)c2ccccc21	238132323	573814577	/nfs/dbraw/zinc/81/45/77/573814577.db2.gz	LTOVCSPVKZAQOS-CYBMUJFWSA-N	0	0	188.270	3.163	10	0		AGAERN
CCC(CC)[C@@H]1CCCC(=O)C1	87174486	573814604	/nfs/dbraw/zinc/81/46/04/573814604.db2.gz	XGWLVDYWDAXSKE-SNVBAGLBSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@@H](C)C(=O)c1cccnc1C	233272609	573814654	/nfs/dbraw/zinc/81/46/54/573814654.db2.gz	AIBOKJLDAOOPNH-SECBINFHSA-N	0	0	191.274	3.009	10	0		AGAERN
Cc1c(N)sc2c(Cl)cccc12	238530372	573814739	/nfs/dbraw/zinc/81/47/39/573814739.db2.gz	ZBWPOMUVIOUXIV-UHFFFAOYSA-N	0	0	197.690	3.445	10	0		AGAERN
CC(C)CC1=C[C@H](O)c2ccccc21	238132462	573814781	/nfs/dbraw/zinc/81/47/81/573814781.db2.gz	LTOVCSPVKZAQOS-ZDUSSCGKSA-N	0	0	188.270	3.163	10	0		AGAERN
C=Cc1ccccc1[C@@H]1CCC(=O)C1	238132343	573815078	/nfs/dbraw/zinc/81/50/78/573815078.db2.gz	NEJJNRJFENJKPE-LLVKDONJSA-N	0	0	186.254	3.166	10	0		AGAERN
CC(C)(C)c1ncc(F)cc1Cl	238132617	573815085	/nfs/dbraw/zinc/81/50/85/573815085.db2.gz	QYNYWOZACHODOH-UHFFFAOYSA-N	0	0	187.645	3.172	10	0		AGAERN
CC(C)(Cl)CCc1ccccc1O	238132461	573815220	/nfs/dbraw/zinc/81/52/20/573815220.db2.gz	SIWCAGSBLZOREW-UHFFFAOYSA-N	0	0	198.693	3.342	10	0		AGAERN
C=Cc1ccccc1[C@H]1CCCC1=O	238132899	573815241	/nfs/dbraw/zinc/81/52/41/573815241.db2.gz	IMSIQDJJODEKQN-GFCCVEGCSA-N	0	0	186.254	3.166	10	0		AGAERN
CC(=O)C[C@@]1(C)C=C(C)CCC1	238133570	573815335	/nfs/dbraw/zinc/81/53/35/573815335.db2.gz	ODVUDRZFYLSTHP-LLVKDONJSA-N	0	0	166.264	3.102	10	0		AGAERN
C=Cc1ccccc1[C@H]1CCC(=O)C1	238132809	573815340	/nfs/dbraw/zinc/81/53/40/573815340.db2.gz	NEJJNRJFENJKPE-NSHDSACASA-N	0	0	186.254	3.166	10	0		AGAERN
Clc1ccc2c(c1)SCCC2	238530542	573815420	/nfs/dbraw/zinc/81/54/20/573815420.db2.gz	GJECAUGQLNMWFC-UHFFFAOYSA-N	0	0	184.691	3.378	10	0		AGAERN
Cc1cnc(Cl)c(C(F)F)c1C	238522608	573815521	/nfs/dbraw/zinc/81/55/21/573815521.db2.gz	UVYYXUJXOQRFPT-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
Cc1cccc(-c2c[nH]cc2F)c1	238521835	573815547	/nfs/dbraw/zinc/81/55/47/573815547.db2.gz	MOIYIYYAVNVUDL-UHFFFAOYSA-N	0	0	175.206	3.129	10	0		AGAERN
CC(=O)C[C@]1(C)CCC=C(C)C1	238133487	573815551	/nfs/dbraw/zinc/81/55/51/573815551.db2.gz	NRFCEQAPRGYXPR-LLVKDONJSA-N	0	0	166.264	3.102	10	0		AGAERN
C=Cc1ccccc1[C@@H]1CCCC1=O	238132471	573815608	/nfs/dbraw/zinc/81/56/08/573815608.db2.gz	IMSIQDJJODEKQN-LBPRGKRZSA-N	0	0	186.254	3.166	10	0		AGAERN
C=Cc1ccc([C@@H]2CCC(=O)C2)cc1	238134537	573815748	/nfs/dbraw/zinc/81/57/48/573815748.db2.gz	TVMDTENRJNGFPC-GFCCVEGCSA-N	0	0	186.254	3.166	10	0		AGAERN
CC(C)[C@H]1CC[C@@H](C[C@@H](C)CO)CC1	308444222	573815834	/nfs/dbraw/zinc/81/58/34/573815834.db2.gz	JNPALRDFVRKDQG-UPJWGTAASA-N	0	0	198.350	3.467	10	0		AGAERN
Cc1cc(F)c(C(F)F)c(Cl)n1	238522807	573815981	/nfs/dbraw/zinc/81/59/81/573815981.db2.gz	XJVJFMWBKOHBHM-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
CCOC(=O)SC1CCCCC1	259200029	573816052	/nfs/dbraw/zinc/81/60/52/573816052.db2.gz	KJIKMOIUWGXQIT-UHFFFAOYSA-N	0	0	188.292	3.209	10	0		AGAERN
CCCC[C@H](CC)C[C@H](O)C1CC1	43456368	573816090	/nfs/dbraw/zinc/81/60/90/573816090.db2.gz	ZVCAEHBIBQNKPR-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
C=Cc1cccc2c1SCCC2=O	238131815	573816190	/nfs/dbraw/zinc/81/61/90/573816190.db2.gz	QKNSNKTWAYTQID-UHFFFAOYSA-N	0	0	190.267	3.008	10	0		AGAERN
Cc1ccc2c(N=O)ccc(O)c2c1	238522657	573816204	/nfs/dbraw/zinc/81/62/04/573816204.db2.gz	IVHUIZAFUPFHFG-UHFFFAOYSA-N	0	0	187.198	3.252	10	0		AGAERN
Cc1ccc2c(c1)NC(=S)C2(C)C	238522994	573817341	/nfs/dbraw/zinc/81/73/41/573817341.db2.gz	PXCQHRQEMWYCGR-UHFFFAOYSA-N	0	0	191.299	3.026	10	0		AGAERN
CC(C)=C=C[C@@H](O)c1ccc(C)cc1	238132397	573816594	/nfs/dbraw/zinc/81/65/94/573816594.db2.gz	AEAVGEMAABDCEH-CYBMUJFWSA-N	0	0	188.270	3.150	10	0		AGAERN
CC(C)=C=C[C@H](O)c1ccc(C)cc1	238132701	573816599	/nfs/dbraw/zinc/81/65/99/573816599.db2.gz	AEAVGEMAABDCEH-ZDUSSCGKSA-N	0	0	188.270	3.150	10	0		AGAERN
Cc1cnc(Cl)c(C(F)F)c1F	238522977	573817359	/nfs/dbraw/zinc/81/73/59/573817359.db2.gz	SRCJSNVDRZKQJY-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
CC(C)=C=CC[C@H](O)c1ccccc1	238132337	573816704	/nfs/dbraw/zinc/81/67/04/573816704.db2.gz	DZDVJRIYPORRFP-ZDUSSCGKSA-N	0	0	188.270	3.231	10	0		AGAERN
CC(C)[C@H]1CC[C@@H](C[C@H](C)CO)CC1	308444221	573816710	/nfs/dbraw/zinc/81/67/10/573816710.db2.gz	JNPALRDFVRKDQG-RWMBFGLXSA-N	0	0	198.350	3.467	10	0		AGAERN
CC(C)=C1C[C@H]1c1ccc(N)cc1	238124435	573816859	/nfs/dbraw/zinc/81/68/59/573816859.db2.gz	BWWVSFUPPDHPID-LBPRGKRZSA-N	0	0	173.259	3.093	10	0		AGAERN
CC(C)(Cl)CC(=O)C(C)(C)C	238132129	573817013	/nfs/dbraw/zinc/81/70/13/573817013.db2.gz	QCZJOWNVJCLJTL-UHFFFAOYSA-N	0	0	176.687	3.009	10	0		AGAERN
C=Cc1ccc(OC2CCC2)cc1	238134477	573817093	/nfs/dbraw/zinc/81/70/93/573817093.db2.gz	BHQVLUXRWPWFBS-UHFFFAOYSA-N	0	0	174.243	3.261	10	0		AGAERN
CC(C)=C=CC[C@@H](O)c1ccccc1	238132273	573817260	/nfs/dbraw/zinc/81/72/60/573817260.db2.gz	DZDVJRIYPORRFP-CYBMUJFWSA-N	0	0	188.270	3.231	10	0		AGAERN
Cc1ccc2c(c1)C[C@H](C)C(C)(C)N2	258146758	573817468	/nfs/dbraw/zinc/81/74/68/573817468.db2.gz	LCNZYNNKPDOFDV-JTQLQIEISA-N	0	0	189.302	3.378	10	0		AGAERN
Cc1nc(Cl)nc(C2CCC2)c1C	238521735	573817506	/nfs/dbraw/zinc/81/75/06/573817506.db2.gz	WTYUQJLCDVDQAL-UHFFFAOYSA-N	0	0	196.681	3.014	10	0		AGAERN
Cc1c(N)cccc1C1CCCC1	238521639	573817531	/nfs/dbraw/zinc/81/75/31/573817531.db2.gz	XTWMCSOLXTVJOB-UHFFFAOYSA-N	0	0	175.275	3.235	10	0		AGAERN
C[Si](C)(C)CC1=C(CO)CCCC1	238522963	573817592	/nfs/dbraw/zinc/81/75/92/573817592.db2.gz	ROBQKHRYCHOKST-UHFFFAOYSA-N	0	0	198.382	3.188	10	0		AGAERN
CC(C)=C/C(=C\c1ccccc1)CO	238138931	573817619	/nfs/dbraw/zinc/81/76/19/573817619.db2.gz	LKIJTUJRZCAIJG-UKTHLTGXSA-N	0	0	188.270	3.029	10	0		AGAERN
CC(C)(Cl)c1nc2ccccc2[nH]1	238134793	573818847	/nfs/dbraw/zinc/81/88/47/573818847.db2.gz	CNMUDJOUDSPONY-UHFFFAOYSA-N	0	0	194.665	3.037	10	0		AGAERN
O[C@@H](CCC1CCC1)C1CCCC1	127376024	573817760	/nfs/dbraw/zinc/81/77/60/573817760.db2.gz	UDGVPSXVNLXFEW-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
CCC[C@H](O)/C(=C\c1ccco1)CC	308446881	573817906	/nfs/dbraw/zinc/81/79/06/573817906.db2.gz	NHELGOIXUYSSMV-PRDAAYKISA-N	0	0	194.274	3.234	10	0		AGAERN
Cc1cc2c(C3CC3)c[nH]c2cc1F	238523566	573818007	/nfs/dbraw/zinc/81/80/07/573818007.db2.gz	IOPCRAKFEDALHU-UHFFFAOYSA-N	0	0	189.233	3.493	10	0		AGAERN
CCCCC[C@@H](C(=O)OC)C(C)C	308446947	573818104	/nfs/dbraw/zinc/81/81/04/573818104.db2.gz	BQEUEYQQQXGEFV-SNVBAGLBSA-N	0	0	186.295	3.012	10	0		AGAERN
Cc1ccc2c(c1)C[C@@H](C)C(C)(C)N2	258146764	573818116	/nfs/dbraw/zinc/81/81/16/573818116.db2.gz	LCNZYNNKPDOFDV-SNVBAGLBSA-N	0	0	189.302	3.378	10	0		AGAERN
Cc1cnc(Cl)c2c(C)coc12	238524451	573818855	/nfs/dbraw/zinc/81/88/55/573818855.db2.gz	ZEVSRHMRULXWAO-UHFFFAOYSA-N	0	0	181.622	3.098	10	0		AGAERN
Cc1cnc(Cl)c(F)c1C(F)F	238523582	573818274	/nfs/dbraw/zinc/81/82/74/573818274.db2.gz	UGYAKNIMWYTXSF-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
CC(C)=C/C(C)=C/Br	238138766	573818336	/nfs/dbraw/zinc/81/83/36/573818336.db2.gz	FLQDFWMKVMISSS-FNORWQNLSA-N	0	0	175.069	3.251	10	0		AGAERN
Cc1cc2c(cnc3ccccc32)[nH]1	238524444	573818874	/nfs/dbraw/zinc/81/88/74/573818874.db2.gz	LKTAKPOVRWKMIP-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
Cc1cc(F)c(C(F)F)nc1Cl	238523334	573818680	/nfs/dbraw/zinc/81/86/80/573818680.db2.gz	CRHWYROKGOAEBY-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
C=Cc1cnn(C2CCCCC2)c1	238138990	573820273	/nfs/dbraw/zinc/82/02/73/573820273.db2.gz	YQXMUOODDCWXIW-UHFFFAOYSA-N	0	0	176.263	3.031	10	0		AGAERN
C=Cc1ccc([C@H]2CCCC2=O)cc1	238135124	573819686	/nfs/dbraw/zinc/81/96/86/573819686.db2.gz	YTGRQSLZZOXVOQ-GFCCVEGCSA-N	0	0	186.254	3.166	10	0		AGAERN
CC(C)c1cc([C@H](C)O)ccc1F	258147935	573819804	/nfs/dbraw/zinc/81/98/04/573819804.db2.gz	TWMIJWPFGNMIKX-QMMMGPOBSA-N	0	0	182.238	3.002	10	0		AGAERN
CCCCC[C@H](C(=O)OC)C(C)C	308446945	573819869	/nfs/dbraw/zinc/81/98/69/573819869.db2.gz	BQEUEYQQQXGEFV-JTQLQIEISA-N	0	0	186.295	3.012	10	0		AGAERN
CC(C)(C)c1ccc2c(c1O)CCC2	238139304	573819925	/nfs/dbraw/zinc/81/99/25/573819925.db2.gz	BRGOBUWBWUIWJD-UHFFFAOYSA-N	0	0	190.286	3.178	10	0		AGAERN
CC(C)(C)C1(C(C)(C)C)CC1=O	238136129	573819948	/nfs/dbraw/zinc/81/99/48/573819948.db2.gz	KDSJGDJFTXJMJM-UHFFFAOYSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1ccc2c(O)c(C)cc(C)c2c1	238523357	573820014	/nfs/dbraw/zinc/82/00/14/573820014.db2.gz	QLFQZNAIBJOWEQ-UHFFFAOYSA-N	0	0	186.254	3.471	10	0		AGAERN
C=Cc1ccc2scc(C=O)c2c1	238136770	573820116	/nfs/dbraw/zinc/82/01/16/573820116.db2.gz	MOPHNCMZUSYIGC-UHFFFAOYSA-N	0	0	188.251	3.357	10	0		AGAERN
Cc1cc(F)c(C(=O)C(C)C)cc1F	87188761	573820151	/nfs/dbraw/zinc/82/01/51/573820151.db2.gz	FNYGEDXOHWDGDZ-UHFFFAOYSA-N	0	0	198.212	3.112	10	0		AGAERN
O[C@H](CCC1CCC1)C1CCCC1	127375848	573820232	/nfs/dbraw/zinc/82/02/32/573820232.db2.gz	UDGVPSXVNLXFEW-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1cccc(-c2cccn2C)c1	238523885	573820260	/nfs/dbraw/zinc/82/02/60/573820260.db2.gz	VJRSAWUWZYPKFE-UHFFFAOYSA-N	0	0	171.243	3.001	10	0		AGAERN
CCCC(=O)c1cc(F)c(C)cc1F	87188745	573820261	/nfs/dbraw/zinc/82/02/61/573820261.db2.gz	PAKKUPMVZRHTOC-UHFFFAOYSA-N	0	0	198.212	3.256	10	0		AGAERN
C=Cc1cccc([C@@H]2CCCC2=O)c1	238137282	573820395	/nfs/dbraw/zinc/82/03/95/573820395.db2.gz	CMEGUQUGWRUQPE-LBPRGKRZSA-N	0	0	186.254	3.166	10	0		AGAERN
C=Cc1cccc([C@@H]2CCC(=O)C2)c1	238137160	573820423	/nfs/dbraw/zinc/82/04/23/573820423.db2.gz	RTLIZAWOWPXULY-GFCCVEGCSA-N	0	0	186.254	3.166	10	0		AGAERN
CCC[C@@H](O)/C(=C\c1ccco1)CC	308446884	573822304	/nfs/dbraw/zinc/82/23/04/573822304.db2.gz	NHELGOIXUYSSMV-ZWLSGLHFSA-N	0	0	194.274	3.234	10	0		AGAERN
Cc1ccc(Nc2cc(C)on2)cc1	238524137	573821731	/nfs/dbraw/zinc/82/17/31/573821731.db2.gz	WGNDSAMFTUUNPN-UHFFFAOYSA-N	0	0	188.230	3.035	10	0		AGAERN
CC(C)(C)c1ccc2c(c1)COCC2	238139344	573821422	/nfs/dbraw/zinc/82/14/22/573821422.db2.gz	HUXAIVKKWYWJIH-UHFFFAOYSA-N	0	0	190.286	3.057	10	0		AGAERN
C=Cc1cccc2c1CCCS2	238138677	573821478	/nfs/dbraw/zinc/82/14/78/573821478.db2.gz	YABFQPDDZQVHHD-UHFFFAOYSA-N	0	0	176.284	3.368	10	0		AGAERN
C/C(=C\Cl)CC(C)C	238129732	573824304	/nfs/dbraw/zinc/82/43/04/573824304.db2.gz	KPRFTOIJLQSORE-FNORWQNLSA-N	0	0	132.634	3.175	10	0		AGAERN
CC(C)(C)C1=CCCCCC[C@@H]1O	238137364	573821612	/nfs/dbraw/zinc/82/16/12/573821612.db2.gz	AXZUXSAZCWUXOE-NSHDSACASA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)(C)C1(C)CCC(=O)CC1	238136254	573821654	/nfs/dbraw/zinc/82/16/54/573821654.db2.gz	SUJSLFBUWPWBFD-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)c1cc(C(C)(C)O)ccc1F	258145508	573821677	/nfs/dbraw/zinc/82/16/77/573821677.db2.gz	SYTHRAIWVGFQAP-UHFFFAOYSA-N	0	0	196.265	3.177	10	0		AGAERN
Cc1cnc(Cl)c(C)c1C(F)F	238523193	573821699	/nfs/dbraw/zinc/82/16/99/573821699.db2.gz	JJLRBVACFOCLGY-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
Cc1cc2[nH]cc(C3CC3)c2cc1O	238523084	573821708	/nfs/dbraw/zinc/82/17/08/573821708.db2.gz	OAYKJXLEDDZQTL-UHFFFAOYSA-N	0	0	187.242	3.059	10	0		AGAERN
C=Cc1ccc(SC)c(F)c1	87198231	573821895	/nfs/dbraw/zinc/82/18/95/573821895.db2.gz	KKVWFXCRJVSLSB-UHFFFAOYSA-N	0	0	168.236	3.191	10	0		AGAERN
Cc1cc2c(ccc3ncccc32)[nH]1	238524409	573821905	/nfs/dbraw/zinc/82/19/05/573821905.db2.gz	NDDDPZFNMMASFP-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
Cc1cc2c(C3CC3)cccc2[nH]1	238523589	573822194	/nfs/dbraw/zinc/82/21/94/573822194.db2.gz	GCDKNNURXYLKFN-UHFFFAOYSA-N	0	0	171.243	3.354	10	0		AGAERN
C=Cc1ccc(F)cc1Cl	87198289	573824169	/nfs/dbraw/zinc/82/41/69/573824169.db2.gz	KINMXOBLUKGTLK-UHFFFAOYSA-N	0	0	156.587	3.122	10	0		AGAERN
CC(C)(C)c1ccc2c(c1)CCOC2	238139700	573824196	/nfs/dbraw/zinc/82/41/96/573824196.db2.gz	AIPFTFARZULEOY-UHFFFAOYSA-N	0	0	190.286	3.057	10	0		AGAERN
c1cc(-n2cccc2)c2cnccc2c1	131214848	573823906	/nfs/dbraw/zinc/82/39/06/573823906.db2.gz	YYHXNLCQPSAQEC-UHFFFAOYSA-N	0	0	194.237	3.026	10	0		AGAERN
CC[C@H](CO)c1ccc(C)c(C)c1C	259203393	573823911	/nfs/dbraw/zinc/82/39/11/573823911.db2.gz	LBZFMRVZONYGMM-GFCCVEGCSA-N	0	0	192.302	3.098	10	0		AGAERN
Cc1ccc2cc(N)c(C)cc2c1	238526456	573824071	/nfs/dbraw/zinc/82/40/71/573824071.db2.gz	CFTQZABPZRAOHH-UHFFFAOYSA-N	0	0	171.243	3.039	10	0		AGAERN
C/C(=C\C/C=C\CO)c1ccccc1	308444514	573825125	/nfs/dbraw/zinc/82/51/25/573825125.db2.gz	KASQLYIMNYFIJT-QTMAJPFISA-N	0	0	188.270	3.029	10	0		AGAERN
Cc1cc2ccc3ccncc3c2[nH]1	238525524	573825166	/nfs/dbraw/zinc/82/51/66/573825166.db2.gz	RDHOEGSXLMUPOD-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
Cc1ccsc1-c1c[nH]c(=S)[nH]1	87200697	573826868	/nfs/dbraw/zinc/82/68/68/573826868.db2.gz	ZXOVAOBNXYQFGK-UHFFFAOYSA-N	0	0	196.300	3.109	10	0		AGAERN
Cc1cnc(F)c(Cl)c1C(F)F	238526076	573826882	/nfs/dbraw/zinc/82/68/82/573826882.db2.gz	QTZSQJNRBQOYQB-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
Cc1cc2sccc2c(O)c1C	238525237	573826926	/nfs/dbraw/zinc/82/69/26/573826926.db2.gz	FKMPONCDFHZFRY-UHFFFAOYSA-N	0	0	178.256	3.224	10	0		AGAERN
Cc1cc2oc3ccccc3c2[nH]1	238527708	573829337	/nfs/dbraw/zinc/82/93/37/573829337.db2.gz	MOXBZWVMCOBYBP-UHFFFAOYSA-N	0	0	171.199	3.223	10	0		AGAERN
FC(F)(F)c1csc(Cl)c1	79409579	573827954	/nfs/dbraw/zinc/82/79/54/573827954.db2.gz	CNPJCGSYTWDIQF-UHFFFAOYSA-N	0	0	186.585	3.420	10	0		AGAERN
Cc1nc(Cl)c(F)cc1C(F)F	238531547	573828148	/nfs/dbraw/zinc/82/81/48/573828148.db2.gz	KHRZVYIAMVGNTQ-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
CC(C)(C)[C@@H](O)/C=C/c1cccs1	238149461	573828328	/nfs/dbraw/zinc/82/83/28/573828328.db2.gz	ZXPWBDLFXDNMLX-FGEFZZPRSA-N	0	0	196.315	3.168	10	0		AGAERN
CC(C)C[C@H]1CCCC(=O)CC1	238148042	573828400	/nfs/dbraw/zinc/82/84/00/573828400.db2.gz	BRVWGNNVMXZITR-JTQLQIEISA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1cc(F)cc2cc(Cl)[nH]c12	238531530	573828440	/nfs/dbraw/zinc/82/84/40/573828440.db2.gz	ZISRDPWFVFGLPE-UHFFFAOYSA-N	0	0	183.613	3.269	10	0		AGAERN
CC(C)C[C@H]1CCC(C)(C)C1=O	238147745	573828465	/nfs/dbraw/zinc/82/84/65/573828465.db2.gz	HFYJLUSMHLTDGZ-SECBINFHSA-N	0	0	168.280	3.038	10	0		AGAERN
C=CC1=C([C@H](O)C(C)(C)C)CCCC1	238146359	573828542	/nfs/dbraw/zinc/82/85/42/573828542.db2.gz	RPYAYYLTJOJPIZ-LBPRGKRZSA-N	0	0	194.318	3.450	10	0		AGAERN
Cc1cccc2c1NC[C@H]1CCC[C@H]21	238531470	573828612	/nfs/dbraw/zinc/82/86/12/573828612.db2.gz	VOQKIAUUTFJLFK-MNOVXSKESA-N	0	0	187.286	3.304	10	0		AGAERN
Cc1cccc(F)c1OC1CCC1	238526877	573828656	/nfs/dbraw/zinc/82/86/56/573828656.db2.gz	PQAYTJCUQMYVFK-UHFFFAOYSA-N	0	0	180.222	3.065	10	0		AGAERN
Nc1cc(-c2ccc(Cl)cc2)co1	258143548	573829152	/nfs/dbraw/zinc/82/91/52/573829152.db2.gz	OTBSQQJXIDGWEN-UHFFFAOYSA-N	0	0	193.633	3.182	10	0		AGAERN
Nc1scnc1C1CCCCCC1	84328769	573829304	/nfs/dbraw/zinc/82/93/04/573829304.db2.gz	NYRJRXZYCXXTLV-UHFFFAOYSA-N	0	0	196.319	3.163	10	0		AGAERN
Cc1nc(Cl)cc(F)c1C(F)F	238533121	573833251	/nfs/dbraw/zinc/83/32/51/573833251.db2.gz	CMWJOTPFYOROAO-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
CCCCCCn1ccnc1SC	308446615	573832983	/nfs/dbraw/zinc/83/29/83/573832983.db2.gz	BNBFCVUEWCVZOI-UHFFFAOYSA-N	0	0	198.335	3.185	10	0		AGAERN
Cc1nc(Cl)cc(C(F)F)c1F	238532643	573833171	/nfs/dbraw/zinc/83/31/71/573833171.db2.gz	SGAUVJHEMOEZLF-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
Clc1ccc2c(c1)CCCCCN2	238531983	573833518	/nfs/dbraw/zinc/83/35/18/573833518.db2.gz	RUWWQHXJXPFFCW-UHFFFAOYSA-N	0	0	195.693	3.478	10	0		AGAERN
CC(=O)c1cc2c(s1)CCCCC2	87224154	573833638	/nfs/dbraw/zinc/83/36/38/573833638.db2.gz	GRGJYECQDQRRAA-UHFFFAOYSA-N	0	0	194.299	3.220	10	0		AGAERN
Cc1ccccc1[C@@H]1C(=O)CC[C@H]1C	215002174	573833729	/nfs/dbraw/zinc/83/37/29/573833729.db2.gz	QNRHTTUBBPOBBJ-ZWNOBZJWSA-N	0	0	188.270	3.078	10	0		AGAERN
CSc1cc(C)c(F)cc1C(C)=O	87224940	573833784	/nfs/dbraw/zinc/83/37/84/573833784.db2.gz	QBEOCGOYNINQBS-UHFFFAOYSA-N	0	0	198.262	3.059	10	0		AGAERN
Cc1nc(Cl)cc(C(F)F)c1C	238532325	573833919	/nfs/dbraw/zinc/83/39/19/573833919.db2.gz	NPNBZBQEJLNCOD-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
Cc1cc(-c2ccccc2)c(F)[nH]1	238533276	573833935	/nfs/dbraw/zinc/83/39/35/573833935.db2.gz	VPNPRBZQFGFDEM-UHFFFAOYSA-N	0	0	175.206	3.129	10	0		AGAERN
C=C=CC(C)(C)[C@@H]1CCCC(=O)C1	238155215	573834431	/nfs/dbraw/zinc/83/44/31/573834431.db2.gz	JBWVBAZEKTXKEK-SNVBAGLBSA-N	0	0	178.275	3.113	10	0		AGAERN
CC(C)(C)C1(C)Nc2ccccc2N1	238141033	573834012	/nfs/dbraw/zinc/83/40/12/573834012.db2.gz	UODOSNBNQKCXPA-UHFFFAOYSA-N	0	0	190.290	3.286	10	0		AGAERN
CC(C)C[C@@H]1CCC(C)(C)C1=O	238155892	573834077	/nfs/dbraw/zinc/83/40/77/573834077.db2.gz	HFYJLUSMHLTDGZ-VIFPVBQESA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)=CC[C@@H](O)c1cccs1	238154947	573834084	/nfs/dbraw/zinc/83/40/84/573834084.db2.gz	DVKHPTMFDFDTGL-SECBINFHSA-N	0	0	182.288	3.138	10	0		AGAERN
Cc1ccc2c(C)c(N)ccc2c1	258152711	573834237	/nfs/dbraw/zinc/83/42/37/573834237.db2.gz	LIRJPKDHAZCLET-UHFFFAOYSA-N	0	0	171.243	3.039	10	0		AGAERN
CC(=O)/C=C(\C)[C@H]1CC2CCC1CC2	381609853	573834301	/nfs/dbraw/zinc/83/43/01/573834301.db2.gz	IGKMVGJLMZRHQW-HUBJTLNZSA-N	0	0	192.302	3.348	10	0		AGAERN
Cc1cccc2[nH]cc(C3CC3)c12	238532768	573836714	/nfs/dbraw/zinc/83/67/14/573836714.db2.gz	IWVDZYLMHLQRNP-UHFFFAOYSA-N	0	0	171.243	3.354	10	0		AGAERN
CC(C)=CC[C@@H](O)c1ccc(C)cc1	238154814	573836071	/nfs/dbraw/zinc/83/60/71/573836071.db2.gz	LLTZXXNHVAUPDN-CYBMUJFWSA-N	0	0	190.286	3.385	10	0		AGAERN
CC(C)(C)CCC[C@]1(O)CC[C@H]2C[C@H]21	308448626	573836166	/nfs/dbraw/zinc/83/61/66/573836166.db2.gz	BMRDYEOHCZLTOG-LOWVWBTDSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)(C)OC(=O)CC1=CCCCC1	87222829	573836265	/nfs/dbraw/zinc/83/62/65/573836265.db2.gz	LDTSRIBCWYESHX-UHFFFAOYSA-N	0	0	196.290	3.219	10	0		AGAERN
C/C(=C/C=C/c1ccccc1)[C@@H](C)O	308449256	573836435	/nfs/dbraw/zinc/83/64/35/573836435.db2.gz	RSWOLBRJTOGNKY-AUJMMQIOSA-N	0	0	188.270	3.027	10	0		AGAERN
CC(=O)[C@H]1C[C@@H]1C1CCC(C)CC1	84331051	573836494	/nfs/dbraw/zinc/83/64/94/573836494.db2.gz	FMMFWNFEFDXAAC-DPHRUIKTSA-N	0	0	180.291	3.038	10	0		AGAERN
CC/C(=C\C1CCC(C)CC1)[N+](=O)[O-]	84339185	573836531	/nfs/dbraw/zinc/83/65/31/573836531.db2.gz	OSIJVMXWIYLNJY-DHZHZOJOSA-N	0	0	197.278	3.383	10	0		AGAERN
COCc1coc2c(Cl)cccc12	258152146	573836611	/nfs/dbraw/zinc/83/66/11/573836611.db2.gz	WSVNFABTYMWMCL-UHFFFAOYSA-N	0	0	196.633	3.233	10	0		AGAERN
Cc1cccc(NCCC(F)F)c1	238534149	573838160	/nfs/dbraw/zinc/83/81/60/573838160.db2.gz	USUYKWRMTNBQCI-UHFFFAOYSA-N	0	0	185.217	3.062	10	0		AGAERN
CCC(CC)CC[NH2+]Cc1ccco1	308762483	573838124	/nfs/dbraw/zinc/83/81/24/573838124.db2.gz	YQJCZDPXRWRABB-UHFFFAOYSA-N	0	0	195.306	3.196	10	0		AGAERN
C/C(=C/C=C\c1ccccc1)[C@H](C)O	308449262	573838235	/nfs/dbraw/zinc/83/82/35/573838235.db2.gz	RSWOLBRJTOGNKY-UJWKGTNNSA-N	0	0	188.270	3.027	10	0		AGAERN
Cc1cc(C)c(C(F)F)c(Cl)n1	238535184	573839411	/nfs/dbraw/zinc/83/94/11/573839411.db2.gz	UYILLFYNBDAQFN-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
CC(C)C[C@@H]1C[C@@H]1c1ccsc1N	238158847	573839428	/nfs/dbraw/zinc/83/94/28/573839428.db2.gz	KTOOEVUPCCKMDO-SCZZXKLOSA-N	0	0	195.331	3.480	10	0		AGAERN
CC(C)(C)[C@@H]1C[C@@H]1c1cscc1N	238156937	573839235	/nfs/dbraw/zinc/83/92/35/573839235.db2.gz	TVDIVMNHVGCFIC-VXNVDRBHSA-N	0	0	195.331	3.480	10	0		AGAERN
Cc1cc(-c2cccs2)c[nH]1	238534855	573839239	/nfs/dbraw/zinc/83/92/39/573839239.db2.gz	NICCALWOLMJZPP-UHFFFAOYSA-N	0	0	163.245	3.052	10	0		AGAERN
CC/C(=C\[C@@H]1CCC[C@@H](C)C1)[N+](=O)[O-]	84341612	573839296	/nfs/dbraw/zinc/83/92/96/573839296.db2.gz	MCXBSEGMEFQPBY-DBUSQJFRSA-N	0	0	197.278	3.383	10	0		AGAERN
Cc1cc(C)c(C(F)F)nc1Cl	238535571	573839367	/nfs/dbraw/zinc/83/93/67/573839367.db2.gz	SKDWZJYZXOLIKY-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
CC(C)C[C@@H]1C[C@@H]1c1cscc1N	238158868	573839509	/nfs/dbraw/zinc/83/95/09/573839509.db2.gz	QMKGOZXJIRESNQ-BDAKNGLRSA-N	0	0	195.331	3.480	10	0		AGAERN
CC(C)C[C@H]1CC(=O)C[C@H](C)C1	238158462	573839556	/nfs/dbraw/zinc/83/95/56/573839556.db2.gz	NVXPQLJNWGIBCT-NXEZZACHSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1cc(Cl)c2cc(C)[nH]c2c1	238534016	573839617	/nfs/dbraw/zinc/83/96/17/573839617.db2.gz	CUCXCHJHZGZKPN-UHFFFAOYSA-N	0	0	179.650	3.438	10	0		AGAERN
CC[C@@H](C)CC[C@H](O)C1CCCC1	127395504	573839661	/nfs/dbraw/zinc/83/96/61/573839661.db2.gz	XGHNWNVIHJZYCL-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1cc2c(cc1O)Cc1ccccc1-2	238523658	573839666	/nfs/dbraw/zinc/83/96/66/573839666.db2.gz	ATRZRVUVDQWREB-UHFFFAOYSA-N	0	0	196.249	3.272	10	0		AGAERN
CC(C)=CC[C@]1(C)CCCC1=O	238158299	573839691	/nfs/dbraw/zinc/83/96/91/573839691.db2.gz	LEQVWMCHDXAXTP-NSHDSACASA-N	0	0	166.264	3.102	10	0		AGAERN
C[C@H]1CCC[C@H](c2ncsc2N)C1	84342266	573840612	/nfs/dbraw/zinc/84/06/12/573840612.db2.gz	FHVBCCFGPOAHBT-YUMQZZPRSA-N	0	0	196.319	3.019	10	0		AGAERN
CC(C)[C@@H]1C[C@@H](C)[C@@H](O)C(C)(C)C1	238159040	573840821	/nfs/dbraw/zinc/84/08/21/573840821.db2.gz	IIRQACHCCOQWLJ-GMTAPVOTSA-N	0	0	184.323	3.076	10	0		AGAERN
CCC(C)(C)C1CCC(CO)CC1	84348599	573840915	/nfs/dbraw/zinc/84/09/15/573840915.db2.gz	LFGUOKGQCBHSGD-UHFFFAOYSA-N	0	0	184.323	3.221	10	0		AGAERN
CCC[C@H](C)CNc1cnoc1CC	308759539	573840919	/nfs/dbraw/zinc/84/09/19/573840919.db2.gz	XJLFCXGDKINJPA-VIFPVBQESA-N	0	0	196.294	3.085	10	0		AGAERN
C[C@@H]1CCC[C@@H](c2ncsc2N)C1	84342268	573840983	/nfs/dbraw/zinc/84/09/83/573840983.db2.gz	FHVBCCFGPOAHBT-HTQZYQBOSA-N	0	0	196.319	3.019	10	0		AGAERN
Cc1cc(Cl)c2ccoc2c1	238534353	573841005	/nfs/dbraw/zinc/84/10/05/573841005.db2.gz	PISMNRTZDULJCD-UHFFFAOYSA-N	0	0	166.607	3.395	10	0		AGAERN
CC(C)[C@@H]1C[C@@H](C)CC(C)(C)[C@@H]1O	238158721	573841062	/nfs/dbraw/zinc/84/10/62/573841062.db2.gz	JPCKQHBJIPKPSJ-OUAUKWLOSA-N	0	0	184.323	3.076	10	0		AGAERN
CC(C)C[C@H]1CC(=O)C[C@@H](C)C1	238159060	573841072	/nfs/dbraw/zinc/84/10/72/573841072.db2.gz	NVXPQLJNWGIBCT-VHSXEESVSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1cccc2nc(C3CC3)sc12	238534761	573841089	/nfs/dbraw/zinc/84/10/89/573841089.db2.gz	JPYORPPVIDEIDL-UHFFFAOYSA-N	0	0	189.283	3.482	10	0		AGAERN
Cc1cc(F)ccc1OC1CCC1	238534759	573841104	/nfs/dbraw/zinc/84/11/04/573841104.db2.gz	FTVDVTYIFLPBDC-UHFFFAOYSA-N	0	0	180.222	3.065	10	0		AGAERN
CC(C)=CC[C@@]1(C)CCCC1=O	238156309	573841171	/nfs/dbraw/zinc/84/11/71/573841171.db2.gz	LEQVWMCHDXAXTP-LLVKDONJSA-N	0	0	166.264	3.102	10	0		AGAERN
CC(C)(C)[C@@H]1CCC[C@H](CO)CC1	84348389	573841251	/nfs/dbraw/zinc/84/12/51/573841251.db2.gz	JBNNXJVISKCWDU-WDEREUQCSA-N	0	0	184.323	3.221	10	0		AGAERN
CC(C)=CC[C@@]1(C)CCC(=O)C1	238156267	573841352	/nfs/dbraw/zinc/84/13/52/573841352.db2.gz	RHIHZJBLAZEXBM-NSHDSACASA-N	0	0	166.264	3.102	10	0		AGAERN
CCC[C@@H](C)CNc1cnoc1CC	308759538	573841435	/nfs/dbraw/zinc/84/14/35/573841435.db2.gz	XJLFCXGDKINJPA-SECBINFHSA-N	0	0	196.294	3.085	10	0		AGAERN
Cc1nc2ccc(C)c(F)c2s1	238534326	573841493	/nfs/dbraw/zinc/84/14/93/573841493.db2.gz	XWXIAWZSCLQABX-UHFFFAOYSA-N	0	0	181.235	3.052	10	0		AGAERN
CC(C)=CC[C@]1(C)CCCC[C@@H]1O	238158325	573841528	/nfs/dbraw/zinc/84/15/28/573841528.db2.gz	AYUKSHUHRTYQAJ-RYUDHWBXSA-N	0	0	182.307	3.284	10	0		AGAERN
O=Nc1c[nH]c2ccc(Cl)cc12	238533945	573841535	/nfs/dbraw/zinc/84/15/35/573841535.db2.gz	KUTLMPASVMMKLS-UHFFFAOYSA-N	0	0	180.594	3.219	10	0		AGAERN
CC(C)C[C@@H]1CC[C@@H](C)CC1=O	238156613	573841538	/nfs/dbraw/zinc/84/15/38/573841538.db2.gz	FDWDTINGCGFVIS-ZJUUUORDSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)=CC[C@]1(C)CCC(=O)C1	238158268	573841571	/nfs/dbraw/zinc/84/15/71/573841571.db2.gz	RHIHZJBLAZEXBM-LLVKDONJSA-N	0	0	166.264	3.102	10	0		AGAERN
CCCCSc1nccn1CCC	308449840	573842652	/nfs/dbraw/zinc/84/26/52/573842652.db2.gz	DAMVDKBRBBUXIJ-UHFFFAOYSA-N	0	0	198.335	3.185	10	0		AGAERN
O=C(C1CCCC1)C(C1CC1)C1CC1	308449901	573842658	/nfs/dbraw/zinc/84/26/58/573842658.db2.gz	BYTMYJLQMPNAAX-UHFFFAOYSA-N	0	0	192.302	3.182	10	0		AGAERN
CC[C@H](C)C1(O)CCC(C)(C)CC1	84345388	573842732	/nfs/dbraw/zinc/84/27/32/573842732.db2.gz	LRCSPXULEQNKIZ-JTQLQIEISA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)(C)[C@@H]1C[C@@H]1c1ccsc1N	238156915	573842858	/nfs/dbraw/zinc/84/28/58/573842858.db2.gz	RIUMYOYQQJWKGB-RKDXNWHRSA-N	0	0	195.331	3.480	10	0		AGAERN
CC(C)C[C@@H]1C[C@@H]1c1sccc1N	238158894	573843120	/nfs/dbraw/zinc/84/31/20/573843120.db2.gz	IGJIUJJNNZDIEI-BDAKNGLRSA-N	0	0	195.331	3.480	10	0		AGAERN
CCCc1nccn1[C@@H](C)CC(C)C	308450648	573843130	/nfs/dbraw/zinc/84/31/30/573843130.db2.gz	CEGOIZLHJCXXTJ-NSHDSACASA-N	0	0	194.322	3.443	10	0		AGAERN
CC[C@@H](C)C1(O)CCC(C)(C)CC1	84345386	573843281	/nfs/dbraw/zinc/84/32/81/573843281.db2.gz	LRCSPXULEQNKIZ-SNVBAGLBSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)(C)[C@H]1CCC[C@@H](CO)CC1	84348399	573843336	/nfs/dbraw/zinc/84/33/36/573843336.db2.gz	JBNNXJVISKCWDU-MNOVXSKESA-N	0	0	184.323	3.221	10	0		AGAERN
CC1(C)CCc2cccc(Cl)c2N1	78215218	573843375	/nfs/dbraw/zinc/84/33/75/573843375.db2.gz	OXKPNGFKWOQTDV-UHFFFAOYSA-N	0	0	195.693	3.477	10	0		AGAERN
CC(C)(C)[C@@H]1CCC[C@@H](CO)CC1	84348393	573843416	/nfs/dbraw/zinc/84/34/16/573843416.db2.gz	JBNNXJVISKCWDU-GHMZBOCLSA-N	0	0	184.323	3.221	10	0		AGAERN
C[C@H]1CCC[C@@H](c2ncsc2N)C1	84342270	573843676	/nfs/dbraw/zinc/84/36/76/573843676.db2.gz	FHVBCCFGPOAHBT-JGVFFNPUSA-N	0	0	196.319	3.019	10	0		AGAERN
CC/C(=C\[C@@H]1CCC[C@H](C)C1)[N+](=O)[O-]	84341607	573843691	/nfs/dbraw/zinc/84/36/91/573843691.db2.gz	MCXBSEGMEFQPBY-BMNILSKHSA-N	0	0	197.278	3.383	10	0		AGAERN
C[C@@H]1CCC[C@H](c2ncsc2N)C1	84342265	573843712	/nfs/dbraw/zinc/84/37/12/573843712.db2.gz	FHVBCCFGPOAHBT-SFYZADRCSA-N	0	0	196.319	3.019	10	0		AGAERN
Cc1cc(CSC(C)C)ccc1O	258159280	573844769	/nfs/dbraw/zinc/84/47/69/573844769.db2.gz	QKUOKBCIKZIPRC-UHFFFAOYSA-N	0	0	196.315	3.342	10	0		AGAERN
CC(C)[C@@H]1C[C@@H]1c1ccsc1N	238160354	573845668	/nfs/dbraw/zinc/84/56/68/573845668.db2.gz	URZCMAWJMRFGBJ-DTWKUNHWSA-N	0	0	181.304	3.090	10	0		AGAERN
Cc1cccc(O)c1-c1cccs1	238537423	573844859	/nfs/dbraw/zinc/84/48/59/573844859.db2.gz	MDAAIWYTAGGEKG-UHFFFAOYSA-N	0	0	190.267	3.429	10	0		AGAERN
CC(C)(C)[C@@H]1CCC2=C(CC[C@@H]2O)C1	238160264	573844860	/nfs/dbraw/zinc/84/48/60/573844860.db2.gz	HXODUXKVNRVDRX-PWSUYJOCSA-N	0	0	194.318	3.284	10	0		AGAERN
CC(C)[C@@H]1C[C@@H]1c1sccc1N	238160425	573844979	/nfs/dbraw/zinc/84/49/79/573844979.db2.gz	LYCXEGGZXXHAKG-YUMQZZPRSA-N	0	0	181.304	3.090	10	0		AGAERN
CC(C)C[C@@H]1C[C@H]1c1ccsc1N	238159425	573845070	/nfs/dbraw/zinc/84/50/70/573845070.db2.gz	KTOOEVUPCCKMDO-PSASIEDQSA-N	0	0	195.331	3.480	10	0		AGAERN
O=Cc1cc(Cl)cc(C2CC2)c1	238536117	573845599	/nfs/dbraw/zinc/84/55/99/573845599.db2.gz	XZYDHCNNZRXJHJ-UHFFFAOYSA-N	0	0	180.634	3.030	10	0		AGAERN
Cc1c(Cl)[nH]c2ccc(F)cc12	257888164	573848593	/nfs/dbraw/zinc/84/85/93/573848593.db2.gz	GEKADGXHZBSRIE-UHFFFAOYSA-N	0	0	183.613	3.269	10	0		AGAERN
CC(C)C[C@H]1C[C@@H]1c1sccc1N	238151480	573848133	/nfs/dbraw/zinc/84/81/33/573848133.db2.gz	IGJIUJJNNZDIEI-IUCAKERBSA-N	0	0	195.331	3.480	10	0		AGAERN
CC(C)C[C@H](C)C(=O)[C@H]1C[C@@H]2C[C@@H]2C1	308453003	573848151	/nfs/dbraw/zinc/84/81/51/573848151.db2.gz	CWWZUJOQWCKOHE-YFKTTZPYSA-N	0	0	194.318	3.284	10	0		AGAERN
C[C@H](O)CCC1CCCCCC1	84350551	573848221	/nfs/dbraw/zinc/84/82/21/573848221.db2.gz	KUKCIJJGNWAWHM-JTQLQIEISA-N	0	0	170.296	3.118	10	0		AGAERN
Cc1cc(C)c(C=O)c(C(C)(C)C)c1	238537672	573848300	/nfs/dbraw/zinc/84/83/00/573848300.db2.gz	UEXDRKTWQVHRCT-UHFFFAOYSA-N	0	0	190.286	3.413	10	0		AGAERN
Cc1nc(F)c(Cl)cc1C(F)F	238537432	573848430	/nfs/dbraw/zinc/84/84/30/573848430.db2.gz	GVIABRSKQKKSIO-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
CC(C)C[C@@H]1CC(=O)C[C@H](C)C1	238150951	573849715	/nfs/dbraw/zinc/84/97/15/573849715.db2.gz	NVXPQLJNWGIBCT-ZJUUUORDSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1c(C(F)F)cnc(Cl)c1C	238539855	573849720	/nfs/dbraw/zinc/84/97/20/573849720.db2.gz	FNFOGTQCXAUOTD-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
CCCCC(=O)c1cc(C)oc1C	43609486	573849739	/nfs/dbraw/zinc/84/97/39/573849739.db2.gz	YOYUDERWNDNBKD-UHFFFAOYSA-N	0	0	180.247	3.269	10	0		AGAERN
CC(C)C[C@@H]1CC(=O)C[C@@H](C)C1	238151695	573849882	/nfs/dbraw/zinc/84/98/82/573849882.db2.gz	NVXPQLJNWGIBCT-UWVGGRQHSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1cc(F)c2[nH]c(Cl)cc2c1	238541525	573849928	/nfs/dbraw/zinc/84/99/28/573849928.db2.gz	CNPDQFHWIHDIOS-UHFFFAOYSA-N	0	0	183.613	3.269	10	0		AGAERN
CCC[C@@H](C)[C@H](O)C(C1CC1)C1CC1	308452608	573849979	/nfs/dbraw/zinc/84/99/79/573849979.db2.gz	CVIDRCIKCYKFOM-RNCFNFMXSA-N	0	0	196.334	3.220	10	0		AGAERN
CC(C)[C@@H]1CC[C@](C)(CO)C1(C)C	238152707	573850001	/nfs/dbraw/zinc/85/00/01/573850001.db2.gz	HHPMKXDWXYXCBT-CMPLNLGQSA-N	0	0	184.323	3.077	10	0		AGAERN
Cc1cccc(O/C=C/Cl)c1	238539987	573850212	/nfs/dbraw/zinc/85/02/12/573850212.db2.gz	WBSFPZUTAXZDPO-AATRIKPKSA-N	0	0	168.623	3.084	10	0		AGAERN
CC(C)OCc1cc2ccccc2[nH]1	258162680	573850513	/nfs/dbraw/zinc/85/05/13/573850513.db2.gz	XOEAXUSBHLEBGY-UHFFFAOYSA-N	0	0	189.258	3.093	10	0		AGAERN
CC(C)=CCC[C@H](O)C1CCCC1	127403292	573852510	/nfs/dbraw/zinc/85/25/10/573852510.db2.gz	OZTBZYATPNSYKL-LBPRGKRZSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)=CCC[C@]1(C)CCC1=O	238150472	573851541	/nfs/dbraw/zinc/85/15/41/573851541.db2.gz	IMQCXZFYFINBPY-LLVKDONJSA-N	0	0	166.264	3.102	10	0		AGAERN
Cc1cccc2c1NC[C@@H]1CCC[C@@H]21	238530755	573851680	/nfs/dbraw/zinc/85/16/80/573851680.db2.gz	VOQKIAUUTFJLFK-WDEREUQCSA-N	0	0	187.286	3.304	10	0		AGAERN
Cc1ccc2sc(N)c(C)c2c1	238541398	573851751	/nfs/dbraw/zinc/85/17/51/573851751.db2.gz	ZGHNNQVFPBTQEU-UHFFFAOYSA-N	0	0	177.272	3.100	10	0		AGAERN
Cc1ccc2c(c1)C(C)C(=O)S2	238541515	573851924	/nfs/dbraw/zinc/85/19/24/573851924.db2.gz	CKVSGGNSXUALQG-UHFFFAOYSA-N	0	0	178.256	3.224	10	0		AGAERN
Cc1cccc2c1NC[C@H]1CCC[C@@H]21	238530698	573852264	/nfs/dbraw/zinc/85/22/64/573852264.db2.gz	VOQKIAUUTFJLFK-GHMZBOCLSA-N	0	0	187.286	3.304	10	0		AGAERN
CCC[C@@H](O)/C=C\c1ccc(C)cc1	308455129	573852406	/nfs/dbraw/zinc/85/24/06/573852406.db2.gz	VMPKHYUJLRESRT-ASCRHOAZSA-N	0	0	190.286	3.169	10	0		AGAERN
O=c1[nH]c(C2CCCCCC2)cs1	257888778	573852412	/nfs/dbraw/zinc/85/24/12/573852412.db2.gz	WTOKVKKJVHYTJP-UHFFFAOYSA-N	0	0	197.303	3.287	10	0		AGAERN
CC1=CC[C@H](C/C=C\[C@H](C)O)C1(C)C	308454268	573852493	/nfs/dbraw/zinc/85/24/93/573852493.db2.gz	URNLHHLCLTVYHH-YGABWQLJSA-N	0	0	194.318	3.306	10	0		AGAERN
Cc1cccc(N)c1[C@H]1C=CCC1	238530814	573853530	/nfs/dbraw/zinc/85/35/30/573853530.db2.gz	LCGBZZLGKJZDDP-JTQLQIEISA-N	0	0	173.259	3.011	10	0		AGAERN
CC(C)C[C@@H]1Nc2ccccc2CO1	238166084	573853766	/nfs/dbraw/zinc/85/37/66/573853766.db2.gz	PFSUOKNNOSSMHB-GFCCVEGCSA-N	0	0	191.274	3.001	10	0		AGAERN
Cc1ccc(-c2ncc(Cl)o2)cc1	258154636	573854086	/nfs/dbraw/zinc/85/40/86/573854086.db2.gz	BCTVIOINTNOPOG-UHFFFAOYSA-N	0	0	193.633	3.303	10	0		AGAERN
Cc1cc(F)c2[nH]cc(Cl)c2c1	238541832	573855360	/nfs/dbraw/zinc/85/53/60/573855360.db2.gz	CIUWLTMZEXLAEP-UHFFFAOYSA-N	0	0	183.613	3.269	10	0		AGAERN
Cc1c(C)c(CO)c(C)c(C)c1Cl	238541739	573855466	/nfs/dbraw/zinc/85/54/66/573855466.db2.gz	SHDBYADVYDDVPV-UHFFFAOYSA-N	0	0	198.693	3.066	10	0		AGAERN
Cc1c(F)ccc(OC(C)C)c1F	238154351	573855496	/nfs/dbraw/zinc/85/54/96/573855496.db2.gz	HIYKFIVKAUEKFE-UHFFFAOYSA-N	0	0	186.201	3.060	10	0		AGAERN
Cc1ccc2scc(C)c2c1N	238541891	573855508	/nfs/dbraw/zinc/85/55/08/573855508.db2.gz	PDXLEZNQEMAQLN-UHFFFAOYSA-N	0	0	177.272	3.100	10	0		AGAERN
Cc1c(C)c(Cl)c(C)c(CO)c1C	238541879	573855521	/nfs/dbraw/zinc/85/55/21/573855521.db2.gz	IYQKTWYVSVCEOO-UHFFFAOYSA-N	0	0	198.693	3.066	10	0		AGAERN
Cc1cc(F)c2sc(C)nc2c1	238542965	573855769	/nfs/dbraw/zinc/85/57/69/573855769.db2.gz	JWKCZCCNZWAIBH-UHFFFAOYSA-N	0	0	181.235	3.052	10	0		AGAERN
CC(C)(CCO)c1ccc(Cl)cc1	84362969	573855990	/nfs/dbraw/zinc/85/59/90/573855990.db2.gz	WCHYEQNVUYZMHA-UHFFFAOYSA-N	0	0	198.693	3.000	10	0		AGAERN
Cc1ccc2c(c1)NC(C)(C)CCN2	87261774	573857955	/nfs/dbraw/zinc/85/79/55/573857955.db2.gz	STQVENVKRIIQDS-UHFFFAOYSA-N	0	0	190.290	3.001	10	0		AGAERN
Cc1c(Cl)cccc1C1(O)CCC1	84360646	573857797	/nfs/dbraw/zinc/85/77/97/573857797.db2.gz	WPPFMARAUKDSLG-UHFFFAOYSA-N	0	0	196.677	3.020	10	0		AGAERN
C[C@@H]1CCC[C@](O)(C(C)(C)C)[C@@H]1C	84375328	573860423	/nfs/dbraw/zinc/86/04/23/573860423.db2.gz	IQIMEFVHJBEUOO-CKYFFXLPSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1ccc2c(c1)NCCC(C)(C)N2	87261768	573860034	/nfs/dbraw/zinc/86/00/34/573860034.db2.gz	XZVPGJVBKLXWOU-UHFFFAOYSA-N	0	0	190.290	3.001	10	0		AGAERN
CCCC[C@@H]1C[C@H](CC)CC[C@@H]1O	43660617	573859444	/nfs/dbraw/zinc/85/94/44/573859444.db2.gz	BAHMWZAHEUTJNO-UTUOFQBUSA-N	0	0	184.323	3.364	10	0		AGAERN
CCc1ccc(CC[C@H](O)CC)s1	43657748	573860012	/nfs/dbraw/zinc/86/00/12/573860012.db2.gz	QMPMJIBZTYRURV-SECBINFHSA-N	0	0	198.331	3.014	10	0		AGAERN
Fc1cccc2sc(C3CC3)nc12	238546247	573859535	/nfs/dbraw/zinc/85/95/35/573859535.db2.gz	ZMZZVYIZQDXOSA-UHFFFAOYSA-N	0	0	193.246	3.313	10	0		AGAERN
CC(=O)c1c(C)[nH]c(C)c1CC(C)C	238168893	573859547	/nfs/dbraw/zinc/85/95/47/573859547.db2.gz	ALARHXYTTWHCPF-UHFFFAOYSA-N	0	0	193.290	3.033	10	0		AGAERN
Fc1cc2cnsc2cc1Cl	238546276	573859574	/nfs/dbraw/zinc/85/95/74/573859574.db2.gz	KVEDKHBUKMZBLO-UHFFFAOYSA-N	0	0	187.626	3.089	10	0		AGAERN
CC[C@@H]1CCCC[C@@]1(O)C(C)(C)C	84375272	573859751	/nfs/dbraw/zinc/85/97/51/573859751.db2.gz	GCLRSEPRSBNJPK-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H]1CCC[C@@](O)(C(C)(C)C)C1	84375265	573859801	/nfs/dbraw/zinc/85/98/01/573859801.db2.gz	RRTKHBZHWSGHJF-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H](O)[C@H](C)C/C=C/c1ccccc1	43658542	573859880	/nfs/dbraw/zinc/85/98/80/573859880.db2.gz	ZBNUWHMJWOUAEY-IUEHSCGASA-N	0	0	190.286	3.107	10	0		AGAERN
CC(C)c1ccc(CC[C@H](C)O)cc1	43656766	573859938	/nfs/dbraw/zinc/85/99/38/573859938.db2.gz	LKKYKONZJIFZBH-NSHDSACASA-N	0	0	192.302	3.123	10	0		AGAERN
CC(C)[C@H]1C[C@@H]1c1ccc(O)cc1	238169058	573859942	/nfs/dbraw/zinc/85/99/42/573859942.db2.gz	DQSIYTROVVBTPT-VXGBXAGGSA-N	0	0	176.259	3.152	10	0		AGAERN
CC(C)(C)[C@@]1(O)CCC[C@@H](C2CC2)C1	84375309	573860106	/nfs/dbraw/zinc/86/01/06/573860106.db2.gz	WAOGRLLZLPGRTI-DGCLKSJQSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@H]1C[C@H](C)CC(O)(C(C)(C)C)C1	84375315	573860115	/nfs/dbraw/zinc/86/01/15/573860115.db2.gz	MUUSVZRPQWKODO-UWVGGRQHSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@H]1CCC[C@@](O)(C2CC2)CC1	84375431	573860177	/nfs/dbraw/zinc/86/01/77/573860177.db2.gz	LYRSWSOFMIFPEF-AAEUAGOBSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1(C)CCC[C@@](O)(C2CC2)CC1	84375415	573860217	/nfs/dbraw/zinc/86/02/17/573860217.db2.gz	NYFQVKMTSCVYRO-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(C)[C@@H](O)CCCC(C)(C)C	43658093	573860229	/nfs/dbraw/zinc/86/02/29/573860229.db2.gz	HFIXEVPYVMAOIL-JTQLQIEISA-N	0	0	172.312	3.220	10	0		AGAERN
CCCC[C@H]1C[C@@H](CC)CC[C@@H]1O	43660621	573860286	/nfs/dbraw/zinc/86/02/86/573860286.db2.gz	BAHMWZAHEUTJNO-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1ccnc(-c2cccs2)c1C	238547078	573860291	/nfs/dbraw/zinc/86/02/91/573860291.db2.gz	QNDHCXRCAQBTDT-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
CC(C)[C@@H]1CCC[C@@](O)(C2CC2)CC1	84375430	573860370	/nfs/dbraw/zinc/86/03/70/573860370.db2.gz	LYRSWSOFMIFPEF-YPMHNXCESA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@H]1CCC[C@@](O)(C(C)(C)C)C1	84375259	573860520	/nfs/dbraw/zinc/86/05/20/573860520.db2.gz	RRTKHBZHWSGHJF-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@@H]1CNc2ccc(C)cc2N1	87261449	573860567	/nfs/dbraw/zinc/86/05/67/573860567.db2.gz	BRAPSYQTXQBEMW-SNVBAGLBSA-N	0	0	190.290	3.001	10	0		AGAERN
C[C@@H](CNc1ccccc1)CC(F)F	688726900	573860595	/nfs/dbraw/zinc/86/05/95/573860595.db2.gz	LIYKLELTAFRYPO-SECBINFHSA-N	0	0	199.244	3.390	10	0		AGAERN
C/C=C/C=C/C=C\C[C@H](C)CCCO	308457327	573860634	/nfs/dbraw/zinc/86/06/34/573860634.db2.gz	YFBKZSCWCZQGRW-CWGRFHJKSA-N	0	0	194.318	3.474	10	0		AGAERN
CC(=O)[C@@H]1C[C@@]1(C)CC(C)(C)C	238169463	573860651	/nfs/dbraw/zinc/86/06/51/573860651.db2.gz	SQCKVBBQZONHQP-ONGXEEELSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@H]1C[C@](O)(C(C)(C)C)CC[C@H]1C	84375322	573860676	/nfs/dbraw/zinc/86/06/76/573860676.db2.gz	CUOWABHCOKYOHI-SCVCMEIPSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@@H]1CCC[C@@](O)(C(C)(C)C)CC1	84375398	573863442	/nfs/dbraw/zinc/86/34/42/573863442.db2.gz	AKEZBEBHHIQFHZ-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@H]1CCC[C@@](O)(C(C)(C)C)[C@@H]1C	84375330	573862371	/nfs/dbraw/zinc/86/23/71/573862371.db2.gz	IQIMEFVHJBEUOO-FOGDFJRCSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H]1CCC[C@@](O)(C2CC2)CC1	84375411	573862414	/nfs/dbraw/zinc/86/24/14/573862414.db2.gz	UBZHFRQDAUNJTD-JQWIXIFHSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1ccc(OCC(C)(C)C)cc1O	76499796	573862415	/nfs/dbraw/zinc/86/24/15/573862415.db2.gz	XGUKEVXVQZHNRU-UHFFFAOYSA-N	0	0	194.274	3.126	10	0		AGAERN
CC1(C)C=C1[C@H](O)C1(C)CCCCC1	238171298	573862474	/nfs/dbraw/zinc/86/24/74/573862474.db2.gz	MFADEAYPISRLNC-NSHDSACASA-N	0	0	194.318	3.284	10	0		AGAERN
Cc1cscc1C(=O)CC1CCC1	87287928	573862502	/nfs/dbraw/zinc/86/25/02/573862502.db2.gz	ZOAACGRYENMWCM-UHFFFAOYSA-N	0	0	194.299	3.429	10	0		AGAERN
CC(C)(C)[C@]1(O)CCC[C@H](C2CC2)C1	84375306	573862526	/nfs/dbraw/zinc/86/25/26/573862526.db2.gz	WAOGRLLZLPGRTI-AAEUAGOBSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1cc(O)c(C)c(CC(C)C)c1	238170567	573862555	/nfs/dbraw/zinc/86/25/55/573862555.db2.gz	ACZXYIFQBLMWEI-UHFFFAOYSA-N	0	0	178.275	3.208	10	0		AGAERN
CCC(=O)[C@@H](C)c1cc(F)cc(F)c1	87283448	573862577	/nfs/dbraw/zinc/86/25/77/573862577.db2.gz	SLVHINIHVDMCNL-ZETCQYMHSA-N	0	0	198.212	3.047	10	0		AGAERN
C[C@H]1CC[C@@H](C)C[C@@]1(O)C(C)(C)C	84375344	573862581	/nfs/dbraw/zinc/86/25/81/573862581.db2.gz	FQGIBOANRIQNMW-SCVCMEIPSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@@H](O)[C@@H](C)c1ccc(C)c(F)c1	87285452	573864098	/nfs/dbraw/zinc/86/40/98/573864098.db2.gz	ODMXHPHEURJJMB-JOYOIKCWSA-N	0	0	196.265	3.009	10	0		AGAERN
CC1(C)C=C1[C@@H](O)C1(C)CCCCC1	238171146	573862808	/nfs/dbraw/zinc/86/28/08/573862808.db2.gz	MFADEAYPISRLNC-LLVKDONJSA-N	0	0	194.318	3.284	10	0		AGAERN
CC[C@H]1CCC[C@](O)(C(C)(C)C)C1	84375255	573862907	/nfs/dbraw/zinc/86/29/07/573862907.db2.gz	RRTKHBZHWSGHJF-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1cscc1[C@@H](O)C(C)(C)C	87288024	573862962	/nfs/dbraw/zinc/86/29/62/573862962.db2.gz	SPVABYXGSLNHFZ-SECBINFHSA-N	0	0	184.304	3.136	10	0		AGAERN
CC(C)(C)[C@@]1(O)CCC[C@H](C2CC2)C1	84375307	573862996	/nfs/dbraw/zinc/86/29/96/573862996.db2.gz	WAOGRLLZLPGRTI-WCQYABFASA-N	0	0	196.334	3.364	10	0		AGAERN
CCN(C)c1csc2ccccc12	259215531	573863008	/nfs/dbraw/zinc/86/30/08/573863008.db2.gz	XJCBSNZOGCHBEX-UHFFFAOYSA-N	0	0	191.299	3.357	10	0		AGAERN
CC[C@H](O)[C@@H](C)c1ccc(C)c(F)c1	87285451	573863012	/nfs/dbraw/zinc/86/30/12/573863012.db2.gz	ODMXHPHEURJJMB-CABZTGNLSA-N	0	0	196.265	3.009	10	0		AGAERN
C[C@H]1CCC[C@@](O)(C(C)(C)C)CC1	84375399	573863059	/nfs/dbraw/zinc/86/30/59/573863059.db2.gz	AKEZBEBHHIQFHZ-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H]1CCC[C@](O)(C(C)(C)C)CC1	84375397	573863074	/nfs/dbraw/zinc/86/30/74/573863074.db2.gz	AKEZBEBHHIQFHZ-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1ccc(C)c(N[C@@H]2C=CCC2)c1	238546126	573863121	/nfs/dbraw/zinc/86/31/21/573863121.db2.gz	KXTODLKMKPYEQF-GFCCVEGCSA-N	0	0	187.286	3.434	10	0		AGAERN
C[C@@H]1C[C@@H](C)CC(O)(C(C)(C)C)C1	84375316	573863152	/nfs/dbraw/zinc/86/31/52/573863152.db2.gz	MUUSVZRPQWKODO-NXEZZACHSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)=C[C@H]1CC(=O)C12CCCC2	238169996	573863164	/nfs/dbraw/zinc/86/31/64/573863164.db2.gz	PNKJXFVGLSFKHY-JTQLQIEISA-N	0	0	178.275	3.102	10	0		AGAERN
CCC(=O)[C@H](C)c1ccc(C)c(F)c1	87285392	573863360	/nfs/dbraw/zinc/86/33/60/573863360.db2.gz	BRLHTYJIIIYPFA-SECBINFHSA-N	0	0	194.249	3.217	10	0		AGAERN
Cc1cscc1C(=O)C1CCCC1	87287973	573863269	/nfs/dbraw/zinc/86/32/69/573863269.db2.gz	DGIQXZZUJMBMGV-UHFFFAOYSA-N	0	0	194.299	3.429	10	0		AGAERN
Cc1ccc(C)c(OC2CCC2)c1	238546319	573863301	/nfs/dbraw/zinc/86/33/01/573863301.db2.gz	AIYDPRGCYQICOU-UHFFFAOYSA-N	0	0	176.259	3.235	10	0		AGAERN
CC1(C)CCC(O)(C(C)(C)C)CC1	84375278	573863322	/nfs/dbraw/zinc/86/33/22/573863322.db2.gz	UDBYLXIIOKFKFF-UHFFFAOYSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1cscc1C(=O)CC1CC1	87287948	573863337	/nfs/dbraw/zinc/86/33/37/573863337.db2.gz	BHIHCNDSJLZDMM-UHFFFAOYSA-N	0	0	180.272	3.039	10	0		AGAERN
Cc1ccc(OCC(C)(C)C)cc1N	76499805	573863581	/nfs/dbraw/zinc/86/35/81/573863581.db2.gz	MEXYGXYVSZFQCG-UHFFFAOYSA-N	0	0	193.290	3.002	10	0		AGAERN
COc1c(C)cc(Cl)c(C)c1C	259214490	573863587	/nfs/dbraw/zinc/86/35/87/573863587.db2.gz	LQULXNDIWGZIJM-UHFFFAOYSA-N	0	0	184.666	3.274	10	0		AGAERN
CC/C=C\[C@H](O)[C@H](C)c1ccccc1	308458342	573863610	/nfs/dbraw/zinc/86/36/10/573863610.db2.gz	YTGMTIFOLSSBHH-MIXQCWMNSA-N	0	0	190.286	3.117	10	0		AGAERN
CC1(C)CCC[C@@](O)(C(C)(C)C)C1	84375285	573863649	/nfs/dbraw/zinc/86/36/49/573863649.db2.gz	ZDOSQZJYEDVXHI-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CC1(C)CCC[C@](O)(C(C)(C)C)C1	84375284	573863804	/nfs/dbraw/zinc/86/38/04/573863804.db2.gz	ZDOSQZJYEDVXHI-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)[C@@H]1CCC[C@](O)(C2CC2)CC1	84375428	573863861	/nfs/dbraw/zinc/86/38/61/573863861.db2.gz	LYRSWSOFMIFPEF-DGCLKSJQSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@@H]1CCC[C@](O)(C(C)(C)C)CC1	84375396	573863876	/nfs/dbraw/zinc/86/38/76/573863876.db2.gz	AKEZBEBHHIQFHZ-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)C(=O)c1cscc1C	87287926	573863991	/nfs/dbraw/zinc/86/39/91/573863991.db2.gz	NACYGXXTXWUYHW-ZETCQYMHSA-N	0	0	182.288	3.285	10	0		AGAERN
CC(C)=CC[C@@H]1CC[C@@H](C)C[C@@H]1O	256273484	573864018	/nfs/dbraw/zinc/86/40/18/573864018.db2.gz	FIHIXQVGBCOAHP-UTUOFQBUSA-N	0	0	182.307	3.140	10	0		AGAERN
CCCC(=O)c1cscc1C	87287989	573864034	/nfs/dbraw/zinc/86/40/34/573864034.db2.gz	AIUIGJDUIQCHEQ-UHFFFAOYSA-N	0	0	168.261	3.039	10	0		AGAERN
C[C@@H]1S[C@H](C)C(=O)c2ccccc21	125318600	573867585	/nfs/dbraw/zinc/86/75/85/573867585.db2.gz	KIOTWYIRPLXYGX-JGVFFNPUSA-N	0	0	192.283	3.066	10	0		AGAERN
CCCCCCO/C=C\Cl	101433443	573867572	/nfs/dbraw/zinc/86/75/72/573867572.db2.gz	KDGRQMCWDOHKDA-VURMDHGXSA-N	0	0	162.660	3.293	10	0		AGAERN
CC1C(=S)N2C=CC=CC2=C1Cl	259624104	573867462	/nfs/dbraw/zinc/86/74/62/573867462.db2.gz	WFBLZBMZXNXYOA-UHFFFAOYSA-N	0	0	197.690	3.190	10	0		AGAERN
CC(C)[C@@H]1C[C@H]1c1cscc1N	238162984	573867482	/nfs/dbraw/zinc/86/74/82/573867482.db2.gz	MLSCJVCCNXNCDU-JGVFFNPUSA-N	0	0	181.304	3.090	10	0		AGAERN
Cc1c(C)c(C)c(Cl)c(O)c1C	238540853	573867415	/nfs/dbraw/zinc/86/74/15/573867415.db2.gz	KDWOJDDHJHCSCA-UHFFFAOYSA-N	0	0	184.666	3.279	10	0		AGAERN
CC(=O)/C=C\c1cc(C)cc(Cl)c1	395175311	573867654	/nfs/dbraw/zinc/86/76/54/573867654.db2.gz	IYSCKXNHKWPJCI-ARJAWSKDSA-N	0	0	194.661	3.251	10	0		AGAERN
C[C@@H]1S[C@H](C)c2ccccc2C1=O	125317864	573867736	/nfs/dbraw/zinc/86/77/36/573867736.db2.gz	KIOTWYIRPLXYGX-SFYZADRCSA-N	0	0	192.283	3.066	10	0		AGAERN
Cc1ccc(C)c([C@H]2C=CCC2)c1N	238549010	573867887	/nfs/dbraw/zinc/86/78/87/573867887.db2.gz	FXOXKDFZFQHEDV-NSHDSACASA-N	0	0	187.286	3.319	10	0		AGAERN
O[C@@H](CCCC1CC1)C1CCCC1	127378515	573868164	/nfs/dbraw/zinc/86/81/64/573868164.db2.gz	XESMAHVYDLRLBW-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(C)[C@@H]1C[C@H]1c1sccc1N	238162997	573868235	/nfs/dbraw/zinc/86/82/35/573868235.db2.gz	LYCXEGGZXXHAKG-JGVFFNPUSA-N	0	0	181.304	3.090	10	0		AGAERN
CC(=O)[C@@H]1CCCCC/C=C/1C	238163037	573868318	/nfs/dbraw/zinc/86/83/18/573868318.db2.gz	DVUKBKRSFKNPEZ-MXMFLMJRSA-N	0	0	166.264	3.102	10	0		AGAERN
CC(C)=C[C@]1(C)CCCC(=O)C1	238172393	573868729	/nfs/dbraw/zinc/86/87/29/573868729.db2.gz	AVQWWHCBDAYTRX-NSHDSACASA-N	0	0	166.264	3.102	10	0		AGAERN
CC(C)[C@@H]1C[C@H]1c1ccc(O)cc1	238162929	573868837	/nfs/dbraw/zinc/86/88/37/573868837.db2.gz	DQSIYTROVVBTPT-RYUDHWBXSA-N	0	0	176.259	3.152	10	0		AGAERN
CC(C)=C[C@]1(C)CCCCC1=O	238172427	573869498	/nfs/dbraw/zinc/86/94/98/573869498.db2.gz	IQUYYQLXDWIBKK-NSHDSACASA-N	0	0	166.264	3.102	10	0		AGAERN
CC(=O)[C@H]1CC/C=C/CCCC1	238162879	573869508	/nfs/dbraw/zinc/86/95/08/573869508.db2.gz	RPIVYBBCYLRMIM-FWEMWIAWSA-N	0	0	166.264	3.102	10	0		AGAERN
C[C@H]1CC(C)(C)Nc2cccc(O)c21	258169552	573870972	/nfs/dbraw/zinc/87/09/72/573870972.db2.gz	MFGANDXKGNYRRI-QMMMGPOBSA-N	0	0	191.274	3.090	10	0		AGAERN
CC(C)[C@@H]1C[C@H](C)[C@@H](O)C(C)(C)C1	238161772	573869666	/nfs/dbraw/zinc/86/96/66/573869666.db2.gz	IIRQACHCCOQWLJ-HBNTYKKESA-N	0	0	184.323	3.076	10	0		AGAERN
Fc1ccc(C2CC2)c2cc[nH]c12	238555707	573870855	/nfs/dbraw/zinc/87/08/55/573870855.db2.gz	MIXZSCZWNSCTEF-UHFFFAOYSA-N	0	0	175.206	3.184	10	0		AGAERN
Cc1c(C)c(C=O)c(C)c(C)c1Cl	238541217	573870861	/nfs/dbraw/zinc/87/08/61/573870861.db2.gz	VFJIURLCQQKTRX-UHFFFAOYSA-N	0	0	196.677	3.386	10	0		AGAERN
Cc1cscc1[C@H](O)C1CCCC1	87288169	573869906	/nfs/dbraw/zinc/86/99/06/573869906.db2.gz	RAZCSONTOBTKLU-LLVKDONJSA-N	0	0	196.315	3.280	10	0		AGAERN
CC(C)[C@@H]1C[C@H]1c1ccsc1N	238162958	573870301	/nfs/dbraw/zinc/87/03/01/573870301.db2.gz	URZCMAWJMRFGBJ-IUCAKERBSA-N	0	0	181.304	3.090	10	0		AGAERN
Cc1sc2ncc(C(C)C)n2c1C	125331109	573870324	/nfs/dbraw/zinc/87/03/24/573870324.db2.gz	UZFRYPXSFHJMPH-UHFFFAOYSA-N	0	0	194.303	3.136	10	0		AGAERN
CCC[C@H](C)N(C)c1nc(C)cs1	308458577	573870355	/nfs/dbraw/zinc/87/03/55/573870355.db2.gz	GTGITOSCHRBYIO-VIFPVBQESA-N	0	0	198.335	3.076	10	0		AGAERN
C[C@@H](C[C@@H](C)O)c1ccccc1Cl	84400756	573870367	/nfs/dbraw/zinc/87/03/67/573870367.db2.gz	RLXVDQTVQYKAOY-DTWKUNHWSA-N	0	0	198.693	3.214	10	0		AGAERN
CC(C)(C)[C@@H]1CCc2c[nH]cc2C1	238161517	573870383	/nfs/dbraw/zinc/87/03/83/573870383.db2.gz	GJDMYPRLLJOLGK-LLVKDONJSA-N	0	0	177.291	3.166	10	0		AGAERN
Cc1cscc1[C@H](O)CC(C)C	87288143	573870521	/nfs/dbraw/zinc/87/05/21/573870521.db2.gz	LYKQYWUNIYLNDS-SNVBAGLBSA-N	0	0	184.304	3.136	10	0		AGAERN
CCC[C@@H](C)N(C)c1nc(C)cs1	308458576	573870595	/nfs/dbraw/zinc/87/05/95/573870595.db2.gz	GTGITOSCHRBYIO-SECBINFHSA-N	0	0	198.335	3.076	10	0		AGAERN
CCCC(=O)c1cccnc1CCC	308458692	573870623	/nfs/dbraw/zinc/87/06/23/573870623.db2.gz	COPWNTNGWQXBOZ-UHFFFAOYSA-N	0	0	191.274	3.017	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1cscc1C	87288203	573870808	/nfs/dbraw/zinc/87/08/08/573870808.db2.gz	BHCSOWVXXZBQGK-GMSGAONNSA-N	0	0	184.304	3.136	10	0		AGAERN
C[C@H]1CC[C@](O)(C2=CCCCC2)C1	235661114	573872101	/nfs/dbraw/zinc/87/21/01/573872101.db2.gz	OUMAIJKHCANKEE-CMPLNLGQSA-N	0	0	180.291	3.038	10	0		AGAERN
CSCc1c[nH]c2ccc(F)cc12	258169896	573871948	/nfs/dbraw/zinc/87/19/48/573871948.db2.gz	YAHNYUKPRLIQFE-UHFFFAOYSA-N	0	0	195.262	3.170	10	0		AGAERN
CC[C@H](C)[C@H](O)c1cscc1C	87288202	573873370	/nfs/dbraw/zinc/87/33/70/573873370.db2.gz	BHCSOWVXXZBQGK-XVKPBYJWSA-N	0	0	184.304	3.136	10	0		AGAERN
C[C@@H](O)C[C@@H](C)c1ccccc1Cl	84400758	573873483	/nfs/dbraw/zinc/87/34/83/573873483.db2.gz	RLXVDQTVQYKAOY-RKDXNWHRSA-N	0	0	198.693	3.214	10	0		AGAERN
C[C@@H]1Cc2ccc(F)cc2NC1(C)C	258169625	573873491	/nfs/dbraw/zinc/87/34/91/573873491.db2.gz	MFVGQJUWUUMBSO-MRVPVSSYSA-N	0	0	193.265	3.208	10	0		AGAERN
Cc1cc(F)c2[nH]c(C)c(C)c2c1	238541202	573873497	/nfs/dbraw/zinc/87/34/97/573873497.db2.gz	FQGOCQAIJYYHBM-UHFFFAOYSA-N	0	0	177.222	3.232	10	0		AGAERN
C[C@H](O)C[C@H](C)c1ccccc1Cl	84400762	573873576	/nfs/dbraw/zinc/87/35/76/573873576.db2.gz	RLXVDQTVQYKAOY-IUCAKERBSA-N	0	0	198.693	3.214	10	0		AGAERN
CC(C)(C)CC[C@]1(C)[C@H](CO)C1(C)C	308460665	573874792	/nfs/dbraw/zinc/87/47/92/573874792.db2.gz	GEJJVHLHCPVNCD-ZWNOBZJWSA-N	0	0	198.350	3.467	10	0		AGAERN
CC[C@H](C)c1ccc(NCOC)cc1	258982019	573877118	/nfs/dbraw/zinc/87/71/18/573877118.db2.gz	CMTJFKYHYVHYPM-JTQLQIEISA-N	0	0	193.290	3.216	10	0		AGAERN
CCC1(C(=O)c2ccco2)CCCC1	87315812	573877134	/nfs/dbraw/zinc/87/71/34/573877134.db2.gz	RTVPSQOYLCDOPY-UHFFFAOYSA-N	0	0	192.258	3.433	10	0		AGAERN
Cc1cccc(C(C)(C)C[C@H](C)O)c1	84418049	573876477	/nfs/dbraw/zinc/87/64/77/573876477.db2.gz	KNBHMIBTBDNPRJ-NSHDSACASA-N	0	0	192.302	3.044	10	0		AGAERN
CC1=C[NH2+][C@H](c2ccccc2)C(C)=C1	238175786	573876678	/nfs/dbraw/zinc/87/66/78/573876678.db2.gz	NODDPJZGMROYTP-ZDUSSCGKSA-N	0	0	185.270	3.181	10	0		AGAERN
CCC1(C(=O)c2ccc[nH]2)CCCC1	87315844	573876787	/nfs/dbraw/zinc/87/67/87/573876787.db2.gz	TVHYLMJSKTWAEJ-UHFFFAOYSA-N	0	0	191.274	3.168	10	0		AGAERN
CC(C)(C)C(F)(F)C1CC1	258981074	573879091	/nfs/dbraw/zinc/87/90/91/573879091.db2.gz	JPVPJJDWDJRNOO-UHFFFAOYSA-N	0	0	148.196	3.078	10	0		AGAERN
CCc1ccc(SC(C)(C)O)cc1	259218102	573881343	/nfs/dbraw/zinc/88/13/43/573881343.db2.gz	MCVVLFHDWXLUPD-UHFFFAOYSA-N	0	0	196.315	3.070	10	0		AGAERN
CC1=C[C@@H]2CCCCC(=O)[C@@]2(C)C1	238178532	573880167	/nfs/dbraw/zinc/88/01/67/573880167.db2.gz	UNSJKCKECGSZJJ-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@@H]1C[C@@]1(O)C1(CC)CCCC1	87329793	573880267	/nfs/dbraw/zinc/88/02/67/573880267.db2.gz	XRZKDAZKHAAEPH-PWSUYJOCSA-N	0	0	182.307	3.118	10	0		AGAERN
CC1=C[C@@H]2CCCCC(=O)[C@]2(C)C1	238178553	573880284	/nfs/dbraw/zinc/88/02/84/573880284.db2.gz	UNSJKCKECGSZJJ-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@@H](C)c1ccc(NCOC)cc1	258982025	573881261	/nfs/dbraw/zinc/88/12/61/573881261.db2.gz	CMTJFKYHYVHYPM-SNVBAGLBSA-N	0	0	193.290	3.216	10	0		AGAERN
CC[C@H]1C[C@]1(O)C1(CC)CCCC1	87329792	573881320	/nfs/dbraw/zinc/88/13/20/573881320.db2.gz	XRZKDAZKHAAEPH-CMPLNLGQSA-N	0	0	182.307	3.118	10	0		AGAERN
CC1([C@H](O)C2=CCCC2)CCCC1	87318377	573881335	/nfs/dbraw/zinc/88/13/35/573881335.db2.gz	FDUZIPILURRCOD-LLVKDONJSA-N	0	0	180.291	3.038	10	0		AGAERN
CC1([C@@H](O)c2cccs2)CCCC1	87318283	573881473	/nfs/dbraw/zinc/88/14/73/573881473.db2.gz	AQMCMKQEKBIOLY-JTQLQIEISA-N	0	0	196.315	3.362	10	0		AGAERN
C=C=C([C@@H](O)C(C)(C)C)C(C)(C)C	238178421	573881765	/nfs/dbraw/zinc/88/17/65/573881765.db2.gz	URSDIZOAOVNCPF-SNVBAGLBSA-N	0	0	182.307	3.151	10	0		AGAERN
Cc1cc2nc3ccccc3cc2[nH]1	225028711	573881789	/nfs/dbraw/zinc/88/17/89/573881789.db2.gz	QMXJJMYJJLSTNA-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
Clc1cccc2cc3n(c12)CCC3	238552783	573881798	/nfs/dbraw/zinc/88/17/98/573881798.db2.gz	MUGQZYMQEJTPCH-UHFFFAOYSA-N	0	0	191.661	3.241	10	0		AGAERN
CCC1([C@H](O)c2ccc[nH]2)CCCC1	87318393	573881831	/nfs/dbraw/zinc/88/18/31/573881831.db2.gz	JYYLZQYPYFGBNA-LLVKDONJSA-N	0	0	193.290	3.019	10	0		AGAERN
CC1([C@H](O)C(F)=C(F)F)CCCC1	238178757	573881888	/nfs/dbraw/zinc/88/18/88/573881888.db2.gz	IEIPOFXBUHSQLV-SSDOTTSWSA-N	0	0	194.196	3.005	10	0		AGAERN
CC[C@@H](C)c1ccc(C2(O)CC2)cc1	258171160	573881937	/nfs/dbraw/zinc/88/19/37/573881937.db2.gz	VWNRNELFEMIYFF-SNVBAGLBSA-N	0	0	190.286	3.182	10	0		AGAERN
CC1(C(=O)[C@@H]2CCCS2)CCCC1	87317034	573882050	/nfs/dbraw/zinc/88/20/50/573882050.db2.gz	ROCHLUYIDGXIDJ-VIFPVBQESA-N	0	0	198.331	3.031	10	0		AGAERN
CC1=C[C@@H]2CCCC(=O)[C@@]2(C)CC1	238178479	573882093	/nfs/dbraw/zinc/88/20/93/573882093.db2.gz	IEALSWNFTVEXSZ-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1([C@@H](O)c2ccccc2)CCCC1	87318250	573882200	/nfs/dbraw/zinc/88/22/00/573882200.db2.gz	UTSPUBUEQXVXQF-LBPRGKRZSA-N	0	0	190.286	3.300	10	0		AGAERN
CC(C)c1c(C=O)cnc2ccccc12	257891926	573882270	/nfs/dbraw/zinc/88/22/70/573882270.db2.gz	ULNSHTFDSMWMNE-UHFFFAOYSA-N	0	0	199.253	3.171	10	0		AGAERN
CCc1ccc(C[C@@H](C)C(C)=O)cc1	41205056	573882317	/nfs/dbraw/zinc/88/23/17/573882317.db2.gz	FPIRLIJGXXZEFC-SNVBAGLBSA-N	0	0	190.286	3.017	10	0		AGAERN
CCC(=O)[C@@H](C)Cc1ccc(C)cc1	41205054	573882341	/nfs/dbraw/zinc/88/23/41/573882341.db2.gz	DZLCCWFKVQJXMQ-NSHDSACASA-N	0	0	190.286	3.153	10	0		AGAERN
CC1([C@@H](O)C2=CCCC2)CCCC1	87318378	573882349	/nfs/dbraw/zinc/88/23/49/573882349.db2.gz	FDUZIPILURRCOD-NSHDSACASA-N	0	0	180.291	3.038	10	0		AGAERN
CC(C)n1c(Cl)cnc1C1CCC1	258518860	573882475	/nfs/dbraw/zinc/88/24/75/573882475.db2.gz	LMBIFWMIFJYORZ-UHFFFAOYSA-N	0	0	198.697	3.385	10	0		AGAERN
CCC[C@H]1C[C@]1(O)C1(C)CCCC1	87329813	573882480	/nfs/dbraw/zinc/88/24/80/573882480.db2.gz	KBOVQVLSRVNPMJ-CMPLNLGQSA-N	0	0	182.307	3.118	10	0		AGAERN
CCC(=O)[C@H](C)Cc1ccccc1C	41205051	573882573	/nfs/dbraw/zinc/88/25/73/573882573.db2.gz	DNDWIXGWHAQUJE-LLVKDONJSA-N	0	0	190.286	3.153	10	0		AGAERN
C=C=C(C1CCCC1)[C@@H](O)C(C)(C)C	238178446	573882613	/nfs/dbraw/zinc/88/26/13/573882613.db2.gz	XUOKKXULZGCIIR-GFCCVEGCSA-N	0	0	194.318	3.295	10	0		AGAERN
CC1([C@H](O)c2ccccc2)CCCC1	87318248	573883186	/nfs/dbraw/zinc/88/31/86/573883186.db2.gz	UTSPUBUEQXVXQF-GFCCVEGCSA-N	0	0	190.286	3.300	10	0		AGAERN
CC1([C@@H](O)C(F)=C(F)F)CCCC1	238177954	573882693	/nfs/dbraw/zinc/88/26/93/573882693.db2.gz	IEIPOFXBUHSQLV-ZETCQYMHSA-N	0	0	194.196	3.005	10	0		AGAERN
CCC[C@@H](C)[C@H](O)c1occc1C	233282512	573883198	/nfs/dbraw/zinc/88/31/98/573883198.db2.gz	KOXMDBSUSNNJPX-SCZZXKLOSA-N	0	0	182.263	3.058	10	0		AGAERN
CCC[C@@H]1C[C@]1(O)C1(C)CCCC1	87329810	573882937	/nfs/dbraw/zinc/88/29/37/573882937.db2.gz	KBOVQVLSRVNPMJ-ZYHUDNBSSA-N	0	0	182.307	3.118	10	0		AGAERN
CCC(=O)CCCCc1ccccc1	41205037	573883206	/nfs/dbraw/zinc/88/32/06/573883206.db2.gz	RDKNJHIOQMCPHQ-UHFFFAOYSA-N	0	0	190.286	3.379	10	0		AGAERN
CCC(=O)CCCc1ccccc1C	41205041	573883081	/nfs/dbraw/zinc/88/30/81/573883081.db2.gz	PACBNFRTUXOZMZ-UHFFFAOYSA-N	0	0	190.286	3.297	10	0		AGAERN
FC(F)(c1cccs1)C1CC1	258984580	573883088	/nfs/dbraw/zinc/88/30/88/573883088.db2.gz	KDSMNLINASCKPO-UHFFFAOYSA-N	0	0	174.215	3.250	10	0		AGAERN
CC(C)CC1([C@@]2(O)C[C@@H]2C)CCCC1	87319101	573883145	/nfs/dbraw/zinc/88/31/45/573883145.db2.gz	JJDXKYVYJTWZFK-WCQYABFASA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1c[nH]c(C)c1Cc1ccccc1	238554272	573885143	/nfs/dbraw/zinc/88/51/43/573885143.db2.gz	QMPPTLBUZLWQRB-UHFFFAOYSA-N	0	0	185.270	3.222	10	0		AGAERN
CC(C)CC1([C@]2(O)C[C@@H]2C)CCCC1	87319105	573884821	/nfs/dbraw/zinc/88/48/21/573884821.db2.gz	JJDXKYVYJTWZFK-AAEUAGOBSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)[C@@H]1CCC2=C[C@H](O)CC[C@@H]2C1	238179470	573884831	/nfs/dbraw/zinc/88/48/31/573884831.db2.gz	DQVLZOPHTSVRAF-NQBHXWOUSA-N	0	0	194.318	3.140	10	0		AGAERN
CCC(=O)CCc1ccc(CC)cc1	41205058	573884843	/nfs/dbraw/zinc/88/48/43/573884843.db2.gz	QQXRGHOMBAXFJT-UHFFFAOYSA-N	0	0	190.286	3.161	10	0		AGAERN
Nc1ccc([C@@H]2CCCCS2)cc1	257892810	573884975	/nfs/dbraw/zinc/88/49/75/573884975.db2.gz	XKDCDHPMYSPAIC-NSHDSACASA-N	0	0	193.315	3.227	10	0		AGAERN
CC1([C@H](O)C2=CCCCC2)CCCC1	87318365	573884999	/nfs/dbraw/zinc/88/49/99/573884999.db2.gz	RKXZNFXVUOBQHF-GFCCVEGCSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)CC1([C@@]2(O)C[C@H]2C)CCCC1	87319099	573885009	/nfs/dbraw/zinc/88/50/09/573885009.db2.gz	JJDXKYVYJTWZFK-DGCLKSJQSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(=O)c1ccc(SCC(C)C)o1	131588286	573886736	/nfs/dbraw/zinc/88/67/36/573886736.db2.gz	BLTIRFZJGHNISP-UHFFFAOYSA-N	0	0	198.287	3.230	10	0		AGAERN
CC[C@H](C)c1ccc(C2(O)CC2)cc1	258171158	573886774	/nfs/dbraw/zinc/88/67/74/573886774.db2.gz	VWNRNELFEMIYFF-JTQLQIEISA-N	0	0	190.286	3.182	10	0		AGAERN
CC(C)[C@@H]1CCC2=C[C@@H](O)CC[C@@H]2C1	238179452	573886809	/nfs/dbraw/zinc/88/68/09/573886809.db2.gz	DQVLZOPHTSVRAF-WZRBSPASSA-N	0	0	194.318	3.140	10	0		AGAERN
Cc1ccc(-c2cc(N)cs2)cc1	238556109	573886838	/nfs/dbraw/zinc/88/68/38/573886838.db2.gz	MJBNTJNPCOUCLK-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
Fc1cc(F)c2c(C3CC3)c[nH]c2c1	238555219	573886864	/nfs/dbraw/zinc/88/68/64/573886864.db2.gz	RUYOCGVLXCQFRN-UHFFFAOYSA-N	0	0	193.196	3.324	10	0		AGAERN
Fc1c(Cl)cccc1OC1CC1	238560739	573886882	/nfs/dbraw/zinc/88/68/82/573886882.db2.gz	IQUWIEZOGSTYOO-UHFFFAOYSA-N	0	0	186.613	3.020	10	0		AGAERN
Cc1cc(-c2ccccc2)oc1C=O	144902312	573886970	/nfs/dbraw/zinc/88/69/70/573886970.db2.gz	HDGULFRJXJTTCW-UHFFFAOYSA-N	0	0	186.210	3.068	10	0		AGAERN
CCc1ccc(CCCC(C)=O)cc1	41205047	573887143	/nfs/dbraw/zinc/88/71/43/573887143.db2.gz	PMGCGKAOENJXRI-UHFFFAOYSA-N	0	0	190.286	3.161	10	0		AGAERN
CC[C@@H](C)C1(CO)CCCCCC1	80302712	573887348	/nfs/dbraw/zinc/88/73/48/573887348.db2.gz	ORBREPSOWZUMKX-LLVKDONJSA-N	0	0	184.323	3.365	10	0		AGAERN
O=C(CC1CCCCC1)c1ccoc1	69946127	573887381	/nfs/dbraw/zinc/88/73/81/573887381.db2.gz	LTBKRLLNSIPEHH-UHFFFAOYSA-N	0	0	192.258	3.433	10	0		AGAERN
Cc1csc2c(C)cc(O)cc12	238554182	573887520	/nfs/dbraw/zinc/88/75/20/573887520.db2.gz	JBIINLNSFZRCKV-UHFFFAOYSA-N	0	0	178.256	3.224	10	0		AGAERN
CC1(C)CC(=O)CC2=C1CCCC2	238179454	573887602	/nfs/dbraw/zinc/88/76/02/573887602.db2.gz	CLNHJHBOCMAZNF-UHFFFAOYSA-N	0	0	178.275	3.246	10	0		AGAERN
CC(C)(C)[C@H](O)C[C@@H]1C[C@@H]2CC[C@H]1C2	238179812	573887761	/nfs/dbraw/zinc/88/77/61/573887761.db2.gz	NRFVVQVDADGEBN-NOOOWODRSA-N	0	0	196.334	3.220	10	0		AGAERN
CC[C@H](C)C1(CO)CCCCCC1	80302715	573887858	/nfs/dbraw/zinc/88/78/58/573887858.db2.gz	ORBREPSOWZUMKX-NSHDSACASA-N	0	0	184.323	3.365	10	0		AGAERN
CCC(=O)[C@H](C)Cc1ccc(C)cc1	41205055	573888134	/nfs/dbraw/zinc/88/81/34/573888134.db2.gz	DZLCCWFKVQJXMQ-LLVKDONJSA-N	0	0	190.286	3.153	10	0		AGAERN
CC(C)(C)CC[C@@](C)(O)C1(C)CC1	87365343	573892896	/nfs/dbraw/zinc/89/28/96/573892896.db2.gz	RMVBVWNAGMFNER-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)c1ccc(F)cc1	80227599	573888937	/nfs/dbraw/zinc/88/89/37/573888937.db2.gz	VADJQCNDAHTNDW-QMMMGPOBSA-N	0	0	152.212	3.339	10	0		AGAERN
Cc1cnoc1-c1cccc(Cl)c1	102159637	573888989	/nfs/dbraw/zinc/88/89/89/573888989.db2.gz	BVHGSTGGFXXVBP-UHFFFAOYSA-N	0	0	193.633	3.303	10	0		AGAERN
C[C@H]1Nc2ccccc2CC1(C)C	80173974	573889006	/nfs/dbraw/zinc/88/90/06/573889006.db2.gz	GNFDYXWFYZQNRU-SECBINFHSA-N	0	0	175.275	3.069	10	0		AGAERN
CCC(=O)[C@H](C)CC(C)(C)C	76591939	573889178	/nfs/dbraw/zinc/88/91/78/573889178.db2.gz	ZDTWYSNKJGMRNB-MRVPVSSYSA-N	0	0	156.269	3.038	10	0		AGAERN
CCC(=O)CCCc1ccccc1F	41206659	573892340	/nfs/dbraw/zinc/89/23/40/573892340.db2.gz	DCGMTJOGFPBBOP-UHFFFAOYSA-N	0	0	194.249	3.128	10	0		AGAERN
CNSc1ccc(C(C)C)cc1	259220414	573891840	/nfs/dbraw/zinc/89/18/40/573891840.db2.gz	MEVJBLFATRSFNC-UHFFFAOYSA-N	0	0	181.304	3.037	10	0		AGAERN
CC(C)C[C@H]1CCCCC(=O)C1	80385546	573892116	/nfs/dbraw/zinc/89/21/16/573892116.db2.gz	LVGGBFDRJNDLNV-SNVBAGLBSA-N	0	0	168.280	3.182	10	0		AGAERN
c1ccc2oc(C3CCC3)nc2c1	102159533	573892369	/nfs/dbraw/zinc/89/23/69/573892369.db2.gz	KHSRNAVGMWOFHP-UHFFFAOYSA-N	0	0	173.215	3.095	10	0		AGAERN
Fc1cc(-c2ccno2)ccc1Cl	102159460	573892403	/nfs/dbraw/zinc/89/24/03/573892403.db2.gz	FIXVKAVMTHXAIR-UHFFFAOYSA-N	0	0	197.596	3.134	10	0		AGAERN
Clc1cccc2c1SCCC2	144929014	573892415	/nfs/dbraw/zinc/89/24/15/573892415.db2.gz	UOFCCPRMKLOWFY-UHFFFAOYSA-N	0	0	184.691	3.378	10	0		AGAERN
CCCC(=O)CCCc1cccs1	41207402	573892419	/nfs/dbraw/zinc/89/24/19/573892419.db2.gz	FVSJXIZMZZPLQX-UHFFFAOYSA-N	0	0	196.315	3.440	10	0		AGAERN
CC1=C[C@]2(CC=C1)CCCCC2=O	238181157	573892422	/nfs/dbraw/zinc/89/24/22/573892422.db2.gz	DUQJEFWNJNBCEE-GFCCVEGCSA-N	0	0	176.259	3.022	10	0		AGAERN
Cc1cccc([C@](C)(O)C2(C)CC2)c1	87365527	573892526	/nfs/dbraw/zinc/89/25/26/573892526.db2.gz	MCGGBVHETSDNSC-ZDUSSCGKSA-N	0	0	190.286	3.003	10	0		AGAERN
Cc1cc([C@@](C)(O)C2(C)CC2)cs1	87365479	573894218	/nfs/dbraw/zinc/89/42/18/573894218.db2.gz	NKJWWVDWDMTDNL-LLVKDONJSA-N	0	0	196.315	3.064	10	0		AGAERN
Cc1ccc(C2=NC(=S)CS2)o1	259227274	573894861	/nfs/dbraw/zinc/89/48/61/573894861.db2.gz	JBELKYXPHNDMTJ-UHFFFAOYSA-N	0	0	197.284	3.000	10	0		AGAERN
Cc1ccsc1C(C)(F)F	258988562	573894178	/nfs/dbraw/zinc/89/41/78/573894178.db2.gz	KSYUXZYVNHOCFZ-UHFFFAOYSA-N	0	0	162.204	3.168	10	0		AGAERN
Cc1cccc([C@@](C)(O)C2(C)CC2)c1	87365529	573894422	/nfs/dbraw/zinc/89/44/22/573894422.db2.gz	MCGGBVHETSDNSC-CYBMUJFWSA-N	0	0	190.286	3.003	10	0		AGAERN
Fc1cccc(C(F)(F)C2CC2)c1	258988499	573894430	/nfs/dbraw/zinc/89/44/30/573894430.db2.gz	KRXMQZBFHSHZFF-UHFFFAOYSA-N	0	0	186.176	3.328	10	0		AGAERN
CCC(=O)c1coc2ccccc12	84443929	573894509	/nfs/dbraw/zinc/89/45/09/573894509.db2.gz	JUFCPCHLJQPPDT-UHFFFAOYSA-N	0	0	174.199	3.026	10	0		AGAERN
CCCc1ccccc1Cl	102332050	573896803	/nfs/dbraw/zinc/89/68/03/573896803.db2.gz	WRZSIHUUDJFHNY-UHFFFAOYSA-N	0	0	154.640	3.293	10	0		AGAERN
CC(C)c1ccc(NC=S)cc1	80489715	573896982	/nfs/dbraw/zinc/89/69/82/573896982.db2.gz	MKBFKOMGGHAEGS-UHFFFAOYSA-N	0	0	179.288	3.179	10	0		AGAERN
CC(=O)c1cccc(C=C(C)C)c1	238174193	573897180	/nfs/dbraw/zinc/89/71/80/573897180.db2.gz	WGDLALVZJJNYAO-UHFFFAOYSA-N	0	0	174.243	3.312	10	0		AGAERN
CC(C)=Cc1ccc(C=O)cc1C	238174079	573897443	/nfs/dbraw/zinc/89/74/43/573897443.db2.gz	CTTLDTKGUFZTGG-UHFFFAOYSA-N	0	0	174.243	3.231	10	0		AGAERN
CC1=CC[C@]2(C)CCC(=O)C[C@H]2C1	238174474	573897469	/nfs/dbraw/zinc/89/74/69/573897469.db2.gz	WQQXXEBAWLQFJT-ZYHUDNBSSA-N	0	0	178.275	3.102	10	0		AGAERN
C=CC=C1C(C)(C)CC(O)CC1(C)C	238189739	573899628	/nfs/dbraw/zinc/89/96/28/573899628.db2.gz	CPWBNEUCESIMQM-UHFFFAOYSA-N	0	0	194.318	3.306	10	0		AGAERN
Cc1ccc([C@@](C)(O)C2(C)CC2)s1	87365885	573899658	/nfs/dbraw/zinc/89/96/58/573899658.db2.gz	URLJGDIPDCRKQG-LLVKDONJSA-N	0	0	196.315	3.064	10	0		AGAERN
CC1([C@](C)(O)CC2CCCC2)CC1	87365822	573899695	/nfs/dbraw/zinc/89/96/95/573899695.db2.gz	RZRRHVAJMJJISP-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
CC1([C@@](C)(O)CC2CCCC2)CC1	87365824	573900142	/nfs/dbraw/zinc/90/01/42/573900142.db2.gz	RZRRHVAJMJJISP-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1ccccc1[C@@](C)(O)C1(C)CC1	87365650	573900037	/nfs/dbraw/zinc/90/00/37/573900037.db2.gz	TXXYJXFZMCIEAR-CYBMUJFWSA-N	0	0	190.286	3.003	10	0		AGAERN
CCCCCC[C@H](CC)[C@H](C)O	44469702	573904062	/nfs/dbraw/zinc/90/40/62/573904062.db2.gz	SCRHTSOMOIJEDP-QWRGUYRKSA-N	0	0	172.312	3.364	10	0		AGAERN
CCCCCC[C@@H](CC)[C@H](C)O	44469700	573905000	/nfs/dbraw/zinc/90/50/00/573905000.db2.gz	SCRHTSOMOIJEDP-WDEREUQCSA-N	0	0	172.312	3.364	10	0		AGAERN
CCC(=O)C1C(C)(C)CC1(C)C	238192934	573905311	/nfs/dbraw/zinc/90/53/11/573905311.db2.gz	PUHYYQYIJNSJJY-UHFFFAOYSA-N	0	0	168.280	3.038	10	0		AGAERN
CCOC(=O)/C=C\C1CCCCCC1	35822683	573905344	/nfs/dbraw/zinc/90/53/44/573905344.db2.gz	WLBHLQWHGZSGSU-KTKRTIGZSA-N	0	0	196.290	3.076	10	0		AGAERN
CC1(C)CC=C[C@](C)(CCCO)C1	238192679	573905620	/nfs/dbraw/zinc/90/56/20/573905620.db2.gz	XGPJIVJATDEAQN-GFCCVEGCSA-N	0	0	182.307	3.141	10	0		AGAERN
Cc1cc(C)c(OC(C)(C)C)cc1N	235787552	573905665	/nfs/dbraw/zinc/90/56/65/573905665.db2.gz	BWFHOGABLKRICQ-UHFFFAOYSA-N	0	0	193.290	3.063	10	0		AGAERN
Cc1cc(-c2ccccc2)c(C=O)o1	76631362	573907855	/nfs/dbraw/zinc/90/78/55/573907855.db2.gz	PDOGWVRHYQFOBV-UHFFFAOYSA-N	0	0	186.210	3.068	10	0		AGAERN
Cc1ccc(-c2ccno2)c(C)c1C	259232489	573907956	/nfs/dbraw/zinc/90/79/56/573907956.db2.gz	MLQOCSPIHNVQEU-UHFFFAOYSA-N	0	0	187.242	3.267	10	0		AGAERN
CCO/C=C/CC/C=C/CCCCO	213038139	573908037	/nfs/dbraw/zinc/90/80/37/573908037.db2.gz	QHTFHUWWWCPIOC-QMAXVLQRSA-N	0	0	198.306	3.036	10	0		AGAERN
CC1=C(C)C(C)=C(C)CC(=O)C1	238195339	573909298	/nfs/dbraw/zinc/90/92/98/573909298.db2.gz	ZCVMOXJJQKIZLE-UHFFFAOYSA-N	0	0	164.248	3.022	10	0		AGAERN
Cc1ccc(-c2cnc(Cl)o2)s1	258521218	573909392	/nfs/dbraw/zinc/90/93/92/573909392.db2.gz	LQPLDSLBCKYQNV-UHFFFAOYSA-N	0	0	199.662	3.365	10	0		AGAERN
C/C(Cl)=C\C[C@H](O)c1ccccc1	393570053	573909400	/nfs/dbraw/zinc/90/94/00/573909400.db2.gz	UWXYQABETKXMNC-DJYGCBNOSA-N	0	0	196.677	3.253	10	0		AGAERN
C[C@@H](CO)c1ccccc1C1CCC1	258179129	573909593	/nfs/dbraw/zinc/90/95/93/573909593.db2.gz	WLZREDMKNSLKLK-JTQLQIEISA-N	0	0	190.286	3.050	10	0		AGAERN
CCCCCOc1cccc(Cl)n1	84688959	573909647	/nfs/dbraw/zinc/90/96/47/573909647.db2.gz	ISEYKQVHETZYLZ-UHFFFAOYSA-N	0	0	199.681	3.304	10	0		AGAERN
C[C@H](CO)c1ccccc1C1CCC1	258179134	573910654	/nfs/dbraw/zinc/91/06/54/573910654.db2.gz	WLZREDMKNSLKLK-SNVBAGLBSA-N	0	0	190.286	3.050	10	0		AGAERN
C/C=C\[C@@H](O)c1cccc2ccccc12	308780208	573911571	/nfs/dbraw/zinc/91/15/71/573911571.db2.gz	SCYXUYQIFHLPNM-OKEUPSHZSA-N	0	0	198.265	3.449	10	0		AGAERN
CC(F)(F)c1ccc2c(c1)CCC2	259002329	573911690	/nfs/dbraw/zinc/91/16/90/573911690.db2.gz	NBRXAYVPACGGKT-UHFFFAOYSA-N	0	0	182.213	3.287	10	0		AGAERN
CCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1O	84837283	573916064	/nfs/dbraw/zinc/91/60/64/573916064.db2.gz	XCMYAJBROXWHCX-AXFHLTTASA-N	0	0	184.323	3.220	10	0		AGAERN
CC1=C[C@H]([C@H](O)c2ccccc2)CC1	238182499	573912138	/nfs/dbraw/zinc/91/21/38/573912138.db2.gz	BFLZUVHBONYVCV-CHWSQXEVSA-N	0	0	188.270	3.076	10	0		AGAERN
Cn1cc(C(C)(F)F)c2ccccc21	259009547	573916090	/nfs/dbraw/zinc/91/60/90/573916090.db2.gz	NYJSROANBMIKEN-UHFFFAOYSA-N	0	0	195.212	3.290	10	0		AGAERN
CC1C[C@H](C)CC(=O)C[C@@H](C)C1	238184423	573916167	/nfs/dbraw/zinc/91/61/67/573916167.db2.gz	QVFXQQCPXFRTRP-UWVGGRQHSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCC(=C=C1CCCCC1)CO	238184711	573916178	/nfs/dbraw/zinc/91/61/78/573916178.db2.gz	SWSFQAHRXNZGIV-UHFFFAOYSA-N	0	0	180.291	3.195	10	0		AGAERN
CNc1cccc(NC2CCCC2)c1	259236024	573915922	/nfs/dbraw/zinc/91/59/22/573915922.db2.gz	LGLBYDLOMHJABZ-UHFFFAOYSA-N	0	0	190.290	3.083	10	0		AGAERN
CCC(C)(C)C[C@H](C)C(C)=O	150234595	573916332	/nfs/dbraw/zinc/91/63/32/573916332.db2.gz	CYFVNVPQFJBHEK-QMMMGPOBSA-N	0	0	156.269	3.038	10	0		AGAERN
CC(=O)c1cccc2c1SC[C@@H]2C	257898743	573917551	/nfs/dbraw/zinc/91/75/51/573917551.db2.gz	AJSVDNHYLXHEPY-ZETCQYMHSA-N	0	0	192.283	3.098	10	0		AGAERN
C=C/C=C/C[C@H](O)C1CCCCC1	238720152	573917620	/nfs/dbraw/zinc/91/76/20/573917620.db2.gz	GKBZNWRYTQGSQO-PYEVWLCESA-N	0	0	180.291	3.060	10	0		AGAERN
CCN(C)c1ccc(CC(C)C)cc1	259238288	573917650	/nfs/dbraw/zinc/91/76/50/573917650.db2.gz	YZBYKXFYVNOAHS-UHFFFAOYSA-N	0	0	191.318	3.341	10	0		AGAERN
CC1=Cc2c(C)ccc(C)c2OC1	238186019	573920078	/nfs/dbraw/zinc/92/00/78/573920078.db2.gz	PBMAHSMBWZSTEX-UHFFFAOYSA-N	0	0	174.243	3.099	10	0		AGAERN
CC(=O)[C@@]12CCCC[C@H]1CC=C2C	238186481	573919194	/nfs/dbraw/zinc/91/91/94/573919194.db2.gz	VLGNHMKAXICJGU-RYUDHWBXSA-N	0	0	178.275	3.102	10	0		AGAERN
CCC[C@@H](C)[C@](C)(O)C(C)(C)C	233283751	573919469	/nfs/dbraw/zinc/91/94/69/573919469.db2.gz	QBLHTXIKHJVHJA-KOLCDFICSA-N	0	0	172.312	3.220	10	0		AGAERN
CC/C=C1\C=C(C)CCC1	205819815	573919552	/nfs/dbraw/zinc/91/95/52/573919552.db2.gz	GEOCAEPPXZXYLX-YHYXMXQVSA-N	0	0	136.238	3.453	10	0		AGAERN
Cc1ccccc1-c1c[nH]c(Cl)n1	257899426	573919610	/nfs/dbraw/zinc/91/96/10/573919610.db2.gz	YMTIJEOGDCJNOJ-UHFFFAOYSA-N	0	0	192.649	3.039	10	0		AGAERN
O[C@H](c1ccccc1)C1C=CC=CC=C1	238720322	573919622	/nfs/dbraw/zinc/91/96/22/573919622.db2.gz	GVONIXWNSQLFDI-AWEZNQCLSA-N	0	0	198.265	3.018	10	0		AGAERN
CC=C=C(CC)[C@H](O)C1CCCCC1	238186557	573919770	/nfs/dbraw/zinc/91/97/70/573919770.db2.gz	QJEUMGHQOQVHOJ-RLROJCQXSA-N	0	0	194.318	3.439	10	0		AGAERN
CC(=O)[C@]12CCC=C[C@@H]1CCCC2	238186443	573919979	/nfs/dbraw/zinc/91/99/79/573919979.db2.gz	NDICDAHAVIELOM-VXGBXAGGSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1=Cc2cc(C)c(O)cc2CC1	238186204	573921959	/nfs/dbraw/zinc/92/19/59/573921959.db2.gz	WAQZUELVTPFMCG-UHFFFAOYSA-N	0	0	174.243	3.050	10	0		AGAERN
CC1=Cc2c(ccc(C)c2O)CC1	238186097	573921209	/nfs/dbraw/zinc/92/12/09/573921209.db2.gz	YABWTHLDUCWTFF-UHFFFAOYSA-N	0	0	174.243	3.050	10	0		AGAERN
CCC(F)(F)C1CCCC1	259007966	573921262	/nfs/dbraw/zinc/92/12/62/573921262.db2.gz	NTRPBWSAKZUBFP-UHFFFAOYSA-N	0	0	148.196	3.222	10	0		AGAERN
CC(C)=CC(C)(C)C(=O)C(C)C	238186761	573921293	/nfs/dbraw/zinc/92/12/93/573921293.db2.gz	KVGOWCYEFXSWLT-UHFFFAOYSA-N	0	0	168.280	3.204	10	0		AGAERN
CC(C)c1c[nH]c(=S)n1[C@H]1C[C@@H]1C	84859783	573921400	/nfs/dbraw/zinc/92/14/00/573921400.db2.gz	MQLZFULQHWECJR-YUMQZZPRSA-N	0	0	196.319	3.250	10	0		AGAERN
CC(C)Cc1cccc2c1C(=O)CC2	238186727	573921491	/nfs/dbraw/zinc/92/14/91/573921491.db2.gz	AOMFMASOYHTBLS-UHFFFAOYSA-N	0	0	188.270	3.014	10	0		AGAERN
CC(=O)[C@]12CCCC=C1CCCC2	238186130	573921582	/nfs/dbraw/zinc/92/15/82/573921582.db2.gz	ZWSNFMZUGVNNBH-GFCCVEGCSA-N	0	0	178.275	3.246	10	0		AGAERN
CC(C)c1c[nH]c(=S)n1[C@@H]1C[C@H]1C	84859785	573921862	/nfs/dbraw/zinc/92/18/62/573921862.db2.gz	MQLZFULQHWECJR-HTQZYQBOSA-N	0	0	196.319	3.250	10	0		AGAERN
C[C@H]1C(=O)CC[C@@H]1SC1CCCC1	84869979	573921874	/nfs/dbraw/zinc/92/18/74/573921874.db2.gz	ZBOCZEYNMUDUJI-KWQFWETISA-N	0	0	198.331	3.030	10	0		AGAERN
CC[C@@]1(C)Nc2ccccc2C[C@H]1C	258182179	573923398	/nfs/dbraw/zinc/92/33/98/573923398.db2.gz	MXRJLOGUYKHSCX-ZWNOBZJWSA-N	0	0	189.302	3.459	10	0		AGAERN
CC(C)c1c[nH]c(=S)n1[C@@H]1C[C@@H]1C	84859786	573923020	/nfs/dbraw/zinc/92/30/20/573923020.db2.gz	MQLZFULQHWECJR-JGVFFNPUSA-N	0	0	196.319	3.250	10	0		AGAERN
C[C@@H]1C(=O)CC[C@H]1CCC(C)(C)C	84870092	573923204	/nfs/dbraw/zinc/92/32/04/573923204.db2.gz	APDFMOFVNYEHGU-UWVGGRQHSA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@@H]1C(=O)CC[C@@H]1SC1CCCC1	84869980	573923339	/nfs/dbraw/zinc/92/33/39/573923339.db2.gz	ZBOCZEYNMUDUJI-KCJUWKMLSA-N	0	0	198.331	3.030	10	0		AGAERN
Cc1ccc(N)c(O[C@@H](C)C(C)C)c1	87467705	573925929	/nfs/dbraw/zinc/92/59/29/573925929.db2.gz	GDYIJFDGNJIAFI-JTQLQIEISA-N	0	0	193.290	3.001	10	0		AGAERN
CCC(=N)c1cc(Cl)c(C)cc1O	238187423	573924522	/nfs/dbraw/zinc/92/45/22/573924522.db2.gz	AURJBYDICSCBOH-UHFFFAOYSA-N	0	0	197.665	3.132	10	0		AGAERN
CC[C@@]1(C)Nc2ccccc2C[C@@H]1C	258182177	573924687	/nfs/dbraw/zinc/92/46/87/573924687.db2.gz	MXRJLOGUYKHSCX-GXFFZTMASA-N	0	0	189.302	3.459	10	0		AGAERN
C[C@@H]1C(=O)CC[C@H]1SC1CCCC1	84869978	573924730	/nfs/dbraw/zinc/92/47/30/573924730.db2.gz	ZBOCZEYNMUDUJI-LDYMZIIASA-N	0	0	198.331	3.030	10	0		AGAERN
CCCCCCc1ccc(C=O)nc1	308463523	573924992	/nfs/dbraw/zinc/92/49/92/573924992.db2.gz	FFTPOLWSJWSWLZ-UHFFFAOYSA-N	0	0	191.274	3.017	10	0		AGAERN
CC[C@]1(C)Nc2ccccc2C[C@H]1C	258182178	573925132	/nfs/dbraw/zinc/92/51/32/573925132.db2.gz	MXRJLOGUYKHSCX-MFKMUULPSA-N	0	0	189.302	3.459	10	0		AGAERN
C[C@@H]1[C@@H](O)CC[C@H]1CCC(C)(C)C	84876538	573925106	/nfs/dbraw/zinc/92/51/06/573925106.db2.gz	COZARAVSJPNLOF-DCAQKATOSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1cc(N)ccc1O[C@H](C)C(C)C	87467612	573925712	/nfs/dbraw/zinc/92/57/12/573925712.db2.gz	IJVJAYRSONOLDK-SNVBAGLBSA-N	0	0	193.290	3.001	10	0		AGAERN
Cc1ccc(O[C@@H](C)C(C)C)c(N)c1	87467719	573925771	/nfs/dbraw/zinc/92/57/71/573925771.db2.gz	PHKRMYKVPIZHBL-JTQLQIEISA-N	0	0	193.290	3.001	10	0		AGAERN
CC(C)/C=C(/CO)C1CCCCC1	87474825	573925862	/nfs/dbraw/zinc/92/58/62/573925862.db2.gz	RTZUTBWKELDOSZ-WQLSENKSSA-N	0	0	182.307	3.141	10	0		AGAERN
CC1(C)CC(C)(C)C(C)(C)C1=O	238187249	573925936	/nfs/dbraw/zinc/92/59/36/573925936.db2.gz	MGOBRHYKNUNGRD-UHFFFAOYSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1ccc(N)c(O[C@H](C)C(C)C)c1	87467706	573925996	/nfs/dbraw/zinc/92/59/96/573925996.db2.gz	GDYIJFDGNJIAFI-SNVBAGLBSA-N	0	0	193.290	3.001	10	0		AGAERN
CCC[C@@H](C)Oc1cnn(C(C)C)c1	233282667	573926019	/nfs/dbraw/zinc/92/60/19/573926019.db2.gz	LJKPWDSGFMNEBG-SNVBAGLBSA-N	0	0	196.294	3.031	10	0		AGAERN
Cc1csc(NC[C@H](C)C(C)C)n1	81070234	573926126	/nfs/dbraw/zinc/92/61/26/573926126.db2.gz	QSIHHLHZPJTGTD-QMMMGPOBSA-N	0	0	198.335	3.156	10	0		AGAERN
CC1=C(CC(=O)C(C)C)CCC1	238188687	573926202	/nfs/dbraw/zinc/92/62/02/573926202.db2.gz	JLHOBBXXRHXIRP-UHFFFAOYSA-N	0	0	166.264	3.102	10	0		AGAERN
CC(C)C[C@@H](C)[C@@](C)(O)c1ccoc1	308465194	573926302	/nfs/dbraw/zinc/92/63/02/573926302.db2.gz	HOBBFCVXHRGIMA-ZYHUDNBSSA-N	0	0	196.290	3.169	10	0		AGAERN
CC1=C(C)CC(C)(C)C(=O)CC1	238195889	573926277	/nfs/dbraw/zinc/92/62/77/573926277.db2.gz	HPWMAOPJCXPOOC-UHFFFAOYSA-N	0	0	166.264	3.102	10	0		AGAERN
CCCCCNc1c(N)cccc1F	259011125	573926396	/nfs/dbraw/zinc/92/63/96/573926396.db2.gz	RFNZYCRYLXUBEC-UHFFFAOYSA-N	0	0	196.269	3.010	10	0		AGAERN
Cc1cc(O[C@H](C)C(C)C)ccc1N	87467656	573928486	/nfs/dbraw/zinc/92/84/86/573928486.db2.gz	MMOUHCSJVCGPKG-SNVBAGLBSA-N	0	0	193.290	3.001	10	0		AGAERN
CC(C)C[C@H](C)[C@@](C)(O)c1ccoc1	308465184	573927251	/nfs/dbraw/zinc/92/72/51/573927251.db2.gz	HOBBFCVXHRGIMA-CMPLNLGQSA-N	0	0	196.290	3.169	10	0		AGAERN
C/C(CO)=C(\C)CCCC(C)C	215475166	573928512	/nfs/dbraw/zinc/92/85/12/573928512.db2.gz	KVCULLJCMMHCGS-KHPPLWFESA-N	0	0	170.296	3.141	10	0		AGAERN
Cc1ccc(O[C@H](C)C(C)C)c(N)c1	87467720	573927463	/nfs/dbraw/zinc/92/74/63/573927463.db2.gz	PHKRMYKVPIZHBL-SNVBAGLBSA-N	0	0	193.290	3.001	10	0		AGAERN
CCC/C=C(/C)C[C@]1(C)CCOC1=O	215007196	573927481	/nfs/dbraw/zinc/92/74/81/573927481.db2.gz	IOBWTVJXUGXPKU-GYGFLDJKSA-N	0	0	196.290	3.076	10	0		AGAERN
Cc1cc(N)ccc1O[C@@H](C)C(C)C	87467611	573927568	/nfs/dbraw/zinc/92/75/68/573927568.db2.gz	IJVJAYRSONOLDK-JTQLQIEISA-N	0	0	193.290	3.001	10	0		AGAERN
CC(C)CON[C@H]1C=CCCCCC1	308464261	573927725	/nfs/dbraw/zinc/92/77/25/573927725.db2.gz	UWJYBSVIAXHWMH-LBPRGKRZSA-N	0	0	197.322	3.053	10	0		AGAERN
Cc1cc(C(=O)[C@@H]2CC2(C)C)c(C)o1	235811312	573927846	/nfs/dbraw/zinc/92/78/46/573927846.db2.gz	XDRHDWFQSMRGTQ-JTQLQIEISA-N	0	0	192.258	3.125	10	0		AGAERN
CCCC1=C(CC)[C@H](O)C[C@H](C)C1	238200365	573929045	/nfs/dbraw/zinc/92/90/45/573929045.db2.gz	QPMBKXSGLYAYSS-BXKDBHETSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)[C@@H](C)Oc1ccnc(Cl)c1	87469179	573928052	/nfs/dbraw/zinc/92/80/52/573928052.db2.gz	VSQVPBHGNZVXRL-MRVPVSSYSA-N	0	0	199.681	3.158	10	0		AGAERN
Cc1cc([C@H](O)C2CCCCC2)co1	123089197	573928139	/nfs/dbraw/zinc/92/81/39/573928139.db2.gz	JQFYCBOUZJFRKY-GFCCVEGCSA-N	0	0	194.274	3.202	10	0		AGAERN
CC(C)CC(F)(F)C1CC1	259012059	573928198	/nfs/dbraw/zinc/92/81/98/573928198.db2.gz	OHOQPHDPQNTCST-UHFFFAOYSA-N	0	0	148.196	3.078	10	0		AGAERN
CCC1=C2CCCCC[C@H]2CC[C@H]1O	238200400	573928214	/nfs/dbraw/zinc/92/82/14/573928214.db2.gz	CDNZLPQASPMZQG-GXFFZTMASA-N	0	0	194.318	3.428	10	0		AGAERN
Cc1cc(O[C@@H](C)C(C)C)ccc1N	87467655	573928244	/nfs/dbraw/zinc/92/82/44/573928244.db2.gz	MMOUHCSJVCGPKG-JTQLQIEISA-N	0	0	193.290	3.001	10	0		AGAERN
Cc1csc(NC[C@@H](C)C(C)C)n1	81070232	573928272	/nfs/dbraw/zinc/92/82/72/573928272.db2.gz	QSIHHLHZPJTGTD-MRVPVSSYSA-N	0	0	198.335	3.156	10	0		AGAERN
CCC1=C2CCCCC[C@H]2CC[C@@H]1O	238200383	573928299	/nfs/dbraw/zinc/92/82/99/573928299.db2.gz	CDNZLPQASPMZQG-GWCFXTLKSA-N	0	0	194.318	3.428	10	0		AGAERN
CC1(C)CC(=C2CCCCC2)[C@H]1O	238198668	573928305	/nfs/dbraw/zinc/92/83/05/573928305.db2.gz	COMOZCOOMDRPGJ-LLVKDONJSA-N	0	0	180.291	3.038	10	0		AGAERN
CCCC1=C(CC)[C@H](O)C[C@@H](C)C1	238200349	573928398	/nfs/dbraw/zinc/92/83/98/573928398.db2.gz	QPMBKXSGLYAYSS-JOYOIKCWSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)[C@@H](C)Oc1cccc(Cl)n1	87469241	573928569	/nfs/dbraw/zinc/92/85/69/573928569.db2.gz	DVDAGNMXKQNIKB-MRVPVSSYSA-N	0	0	199.681	3.158	10	0		AGAERN
Cc1ccc(NC[C@@H](C)C(C)C)nc1	81070276	573928630	/nfs/dbraw/zinc/92/86/30/573928630.db2.gz	HNRBMJRKPQFCMU-LLVKDONJSA-N	0	0	192.306	3.094	10	0		AGAERN
CCC1=C(C)Cc2ccccc2NC1	238199519	573928683	/nfs/dbraw/zinc/92/86/83/573928683.db2.gz	DKXFXNIEHUVEPQ-UHFFFAOYSA-N	0	0	187.286	3.381	10	0		AGAERN
CCCCC[C@H](O)C(C1CC1)C1CC1	308465123	573928760	/nfs/dbraw/zinc/92/87/60/573928760.db2.gz	HMVUVXVQNXLEEQ-LBPRGKRZSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1cccnc1NC[C@@H](C)C(C)C	81069840	573928769	/nfs/dbraw/zinc/92/87/69/573928769.db2.gz	CMZLJDAOPKLRRC-LLVKDONJSA-N	0	0	192.306	3.094	10	0		AGAERN
CC(C)=C[C@@H](O)CC1CCCCC1	87473777	573928933	/nfs/dbraw/zinc/92/89/33/573928933.db2.gz	OKUSFFFEPICHHG-GFCCVEGCSA-N	0	0	182.307	3.284	10	0		AGAERN
CCC1=C2CCCCC[C@@H]2CC[C@H]1O	238200368	573929164	/nfs/dbraw/zinc/92/91/64/573929164.db2.gz	CDNZLPQASPMZQG-ZWNOBZJWSA-N	0	0	194.318	3.428	10	0		AGAERN
CCCCC[C@@H](O)C(C1CC1)C1CC1	308465118	573929210	/nfs/dbraw/zinc/92/92/10/573929210.db2.gz	HMVUVXVQNXLEEQ-GFCCVEGCSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1ccc([C@@]2(O)CCC[C@H]2C)cc1	84902352	573929242	/nfs/dbraw/zinc/92/92/42/573929242.db2.gz	HDBZMLBNDXXBGI-DGCLKSJQSA-N	0	0	190.286	3.003	10	0		AGAERN
CC(C)CON[C@@H]1C=CCCCCC1	308464260	573929245	/nfs/dbraw/zinc/92/92/45/573929245.db2.gz	UWJYBSVIAXHWMH-GFCCVEGCSA-N	0	0	197.322	3.053	10	0		AGAERN
Cc1ccc(F)c(C(=O)CC2CC2)c1	84932065	573929279	/nfs/dbraw/zinc/92/92/79/573929279.db2.gz	BPBYYFCGAOFAPL-UHFFFAOYSA-N	0	0	192.233	3.117	10	0		AGAERN
CC(C)C[C@@H](C)[C@](C)(O)c1ccoc1	308465192	573929421	/nfs/dbraw/zinc/92/94/21/573929421.db2.gz	HOBBFCVXHRGIMA-PWSUYJOCSA-N	0	0	196.290	3.169	10	0		AGAERN
CCC/C=C(/C)C[C@@]1(C)CCOC1=O	215007244	573929427	/nfs/dbraw/zinc/92/94/27/573929427.db2.gz	IOBWTVJXUGXPKU-XTOZHPGHSA-N	0	0	196.290	3.076	10	0		AGAERN
Cc1sccc1[C@@H](O)[C@@H]1CC1(C)C	235815391	573929592	/nfs/dbraw/zinc/92/95/92/573929592.db2.gz	HLEPQERDKWUQTC-VHSXEESVSA-N	0	0	196.315	3.136	10	0		AGAERN
CCCC12CCC(CO)(CC1)CC2	238199353	573929868	/nfs/dbraw/zinc/92/98/68/573929868.db2.gz	DFFILCRZYTWMAG-UHFFFAOYSA-N	0	0	182.307	3.119	10	0		AGAERN
Clc1cnc(C2CCCC2)s1	258458747	573929873	/nfs/dbraw/zinc/92/98/73/573929873.db2.gz	GTDQVSDKVUBASF-UHFFFAOYSA-N	0	0	187.695	3.454	10	0		AGAERN
CCC(C)(CC)C1=CCC(=O)C1	238198951	573930987	/nfs/dbraw/zinc/93/09/87/573930987.db2.gz	ZNAWQYHMGJIYCT-UHFFFAOYSA-N	0	0	166.264	3.102	10	0		AGAERN
CCCC1=C(CC)[C@@H](O)C[C@H](C)C1	238200319	573931088	/nfs/dbraw/zinc/93/10/88/573931088.db2.gz	QPMBKXSGLYAYSS-SKDRFNHKSA-N	0	0	182.307	3.284	10	0		AGAERN
Cc1c(N)ccc2c(Cl)cccc12	257907995	573931296	/nfs/dbraw/zinc/93/12/96/573931296.db2.gz	ABFDUDOVNDOZBU-UHFFFAOYSA-N	0	0	191.661	3.384	10	0		AGAERN
COCc1cc2c(C)cccc2s1	257907959	573931352	/nfs/dbraw/zinc/93/13/52/573931352.db2.gz	PGRAAIVZNQRWGO-UHFFFAOYSA-N	0	0	192.283	3.356	10	0		AGAERN
Cc1cnc(Oc2ccccc2C)o1	257907945	573931377	/nfs/dbraw/zinc/93/13/77/573931377.db2.gz	PGIUDZRCPDRXOQ-UHFFFAOYSA-N	0	0	189.214	3.084	10	0		AGAERN
CCC(F)(F)c1ccccc1OC	259013070	573931526	/nfs/dbraw/zinc/93/15/26/573931526.db2.gz	OMNIOKXIFZSAAR-UHFFFAOYSA-N	0	0	186.201	3.197	10	0		AGAERN
CC1=CC(C)(C)CCC1	81174702	573931764	/nfs/dbraw/zinc/93/17/64/573931764.db2.gz	FFIDVTCKFVYQCZ-UHFFFAOYSA-N	0	0	124.227	3.143	10	0		AGAERN
C=Cc1c(Cl)cccc1NC	222816989	573938099	/nfs/dbraw/zinc/93/80/99/573938099.db2.gz	XHVRHUJMYAEZOM-UHFFFAOYSA-N	0	0	167.639	3.025	10	0		AGAERN
O=Cc1ccccc1[C@@H]1CCCS1	257905253	573932830	/nfs/dbraw/zinc/93/28/30/573932830.db2.gz	ZHZKHYXMJCHAHR-NSHDSACASA-N	0	0	192.283	3.067	10	0		AGAERN
CC[C@@H](C)O[C@H](C)c1cccc(N)c1	42288404	573934916	/nfs/dbraw/zinc/93/49/16/573934916.db2.gz	GUECDPFHLRNWBN-NXEZZACHSA-N	0	0	193.290	3.145	10	0		AGAERN
CC[C@@H]1CCNc2cc(OC)ccc21	81171981	573935012	/nfs/dbraw/zinc/93/50/12/573935012.db2.gz	SCUPVDCMBKLPEF-SECBINFHSA-N	0	0	191.274	3.004	10	0		AGAERN
CC[C@@H](C)O[C@@H](C)c1cccc(N)c1	42288401	573935102	/nfs/dbraw/zinc/93/51/02/573935102.db2.gz	GUECDPFHLRNWBN-ZJUUUORDSA-N	0	0	193.290	3.145	10	0		AGAERN
CC1(C)CCC=C(C(C)(C)CO)C1	238197468	573935223	/nfs/dbraw/zinc/93/52/23/573935223.db2.gz	DOKCYVLTMQECIW-UHFFFAOYSA-N	0	0	182.307	3.141	10	0		AGAERN
Cc1c(F)ccc(C(F)(F)F)c1F	197750473	573935464	/nfs/dbraw/zinc/93/54/64/573935464.db2.gz	VBJFRYZDOJFSHU-UHFFFAOYSA-N	0	0	196.118	3.292	10	0		AGAERN
CC(C)Cc1cccc(Cl)c1N	257904916	573935497	/nfs/dbraw/zinc/93/54/97/573935497.db2.gz	PLQKZUCRVPFOME-UHFFFAOYSA-N	0	0	183.682	3.121	10	0		AGAERN
CCC(C)(C)c1ccc(C)c(N)c1	238196014	573935587	/nfs/dbraw/zinc/93/55/87/573935587.db2.gz	AGLJKIBLALUBEB-UHFFFAOYSA-N	0	0	177.291	3.265	10	0		AGAERN
CC(C)Cc1ccn(C2CCCC2)n1	87527223	573935600	/nfs/dbraw/zinc/93/56/00/573935600.db2.gz	LKSAFBCKLSZNLC-UHFFFAOYSA-N	0	0	192.306	3.197	10	0		AGAERN
CCOC(=O)[C@@H]1CC[C@@H](C)[C@@H](CC)C1	259586058	573935745	/nfs/dbraw/zinc/93/57/45/573935745.db2.gz	KVFRKGOUCDIGQG-OUAUKWLOSA-N	0	0	198.306	3.012	10	0		AGAERN
CCOC(=O)[C@@H]1CC[C@H](C)[C@H](CC)C1	259586057	573935823	/nfs/dbraw/zinc/93/58/23/573935823.db2.gz	KVFRKGOUCDIGQG-HBNTYKKESA-N	0	0	198.306	3.012	10	0		AGAERN
CC1(C)CCCCC(C)(C)[C@@H](O)C1	238201153	573939094	/nfs/dbraw/zinc/93/90/94/573939094.db2.gz	KUHLOYURHDABEV-JTQLQIEISA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)[C@]1(C)CCc2c(N)cccc21	238214511	573939110	/nfs/dbraw/zinc/93/91/10/573939110.db2.gz	PUDFPPGQAMQZFJ-ZDUSSCGKSA-N	0	0	189.302	3.129	10	0		AGAERN
CC1=C[C@H]([Si](C)(C)C)n2cccc21	222814799	573939172	/nfs/dbraw/zinc/93/91/72/573939172.db2.gz	ICMNJSXURNXSAG-NSHDSACASA-N	0	0	191.350	3.324	10	0		AGAERN
C=C/C=C\CC[C@@H](C)C(=O)CC	222700987	573939292	/nfs/dbraw/zinc/93/92/92/573939292.db2.gz	CNPXRGFZWLVSTM-JYESYGNLSA-N	0	0	166.264	3.124	10	0		AGAERN
CCC1=CCc2ccccc2N[C@@H]1C	238201249	573939333	/nfs/dbraw/zinc/93/93/33/573939333.db2.gz	CEQQJMHUTXEEBD-SNVBAGLBSA-N	0	0	187.286	3.380	10	0		AGAERN
CC(C)[C@@]1(C)CCCCCC1=O	238201344	573939344	/nfs/dbraw/zinc/93/93/44/573939344.db2.gz	QFQGGZJEIPJUMA-LLVKDONJSA-N	0	0	168.280	3.182	10	0		AGAERN
CC1(C)CCCC2=C1C[C@@H](O)CC2	238200824	573939433	/nfs/dbraw/zinc/93/94/33/573939433.db2.gz	IRQQBHRDPAATJD-JTQLQIEISA-N	0	0	180.291	3.038	10	0		AGAERN
CC1(C)CCCC[C@@H](O)CCC1	238201431	573941844	/nfs/dbraw/zinc/94/18/44/573941844.db2.gz	ZHTCVSZXINBPLE-SNVBAGLBSA-N	0	0	170.296	3.118	10	0		AGAERN
CC(C)c1cc2cccc(C=O)c2o1	238200826	573941809	/nfs/dbraw/zinc/94/18/09/573941809.db2.gz	FWQLSADSJVZBAU-UHFFFAOYSA-N	0	0	188.226	3.369	10	0		AGAERN
CC1(C)CCCC2=C1CC[C@@H](O)C2	238200751	573941979	/nfs/dbraw/zinc/94/19/79/573941979.db2.gz	YBXUOKGEQHJDOO-SNVBAGLBSA-N	0	0	180.291	3.038	10	0		AGAERN
CCC1=C2CCCC[C@H]2CC[C@@H]1O	238200529	573941825	/nfs/dbraw/zinc/94/18/25/573941825.db2.gz	QBAMBFQSCXZVFT-CABZTGNLSA-N	0	0	180.291	3.038	10	0		AGAERN
CC1=C[C@@H]([Si](C)(C)C)n2cccc21	222814846	573941869	/nfs/dbraw/zinc/94/18/69/573941869.db2.gz	ICMNJSXURNXSAG-LLVKDONJSA-N	0	0	191.350	3.324	10	0		AGAERN
CC(C)[C@@]1(C)C[C@H](O)CC(C)(C)C1	238203392	573942844	/nfs/dbraw/zinc/94/28/44/573942844.db2.gz	YHCQQIINIYPBRC-PWSUYJOCSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C(=O)[C@@]1(C)CCC[C@@H]1C	238201904	573942831	/nfs/dbraw/zinc/94/28/31/573942831.db2.gz	YSLWQEQUODINIT-ONGXEEELSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@H]1C[C@@H](C(=O)C2(C)CC2)CC[C@H]1C	87549364	573943879	/nfs/dbraw/zinc/94/38/79/573943879.db2.gz	WINXBKMWYUUYMB-VWYCJHECSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)C(=O)[C@]1(C)CCC[C@@H]1C	238203431	573943895	/nfs/dbraw/zinc/94/38/95/573943895.db2.gz	YSLWQEQUODINIT-GXSJLCMTSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC[C@@H](C)C(=O)OC(C)(C)CC	308471908	573950487	/nfs/dbraw/zinc/95/04/87/573950487.db2.gz	KUMRLQQUMHVDBN-SECBINFHSA-N	0	0	186.295	3.154	10	0		AGAERN
CC1(C(=O)c2cccc(Cl)c2)CC1	87549416	573943649	/nfs/dbraw/zinc/94/36/49/573943649.db2.gz	GUJMBOKZKGSAQM-UHFFFAOYSA-N	0	0	194.661	3.323	10	0		AGAERN
CC(C)C(=O)[C@@]1(C)CCC[C@H]1C	238201917	573943675	/nfs/dbraw/zinc/94/36/75/573943675.db2.gz	YSLWQEQUODINIT-KOLCDFICSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)[C@@]1(C)C[C@@H](O)CC(C)(C)C1	238201789	573943983	/nfs/dbraw/zinc/94/39/83/573943983.db2.gz	YHCQQIINIYPBRC-JQWIXIFHSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1cc(F)ccc1C(=O)C1(C)CC1	87548900	573943707	/nfs/dbraw/zinc/94/37/07/573943707.db2.gz	FCGOHBYWYZHYMJ-UHFFFAOYSA-N	0	0	192.233	3.117	10	0		AGAERN
Cc1ccc([C@@H](O)C2(C)CC2)cc1C	87549755	573943763	/nfs/dbraw/zinc/94/37/63/573943763.db2.gz	SENPBGHAWUCVJH-GFCCVEGCSA-N	0	0	190.286	3.137	10	0		AGAERN
C[C@H]1CCC[C@@H](C(=O)C2(C)CC2)C1	87549282	573943867	/nfs/dbraw/zinc/94/38/67/573943867.db2.gz	LWEJHFHXXMDGRB-VHSXEESVSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1ccsc1C(=O)C1(C)CC1	87549412	573943974	/nfs/dbraw/zinc/94/39/74/573943974.db2.gz	IDNFZESIVXAVGH-UHFFFAOYSA-N	0	0	180.272	3.039	10	0		AGAERN
CCC1CCC([C@H](O)C2(C)CC2)CC1	87549829	573943989	/nfs/dbraw/zinc/94/39/89/573943989.db2.gz	RFIBWDJGDCVWJZ-MCIGGMRASA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1ccc(-c2ccnc(C)n2)c(C)c1	259023100	573944004	/nfs/dbraw/zinc/94/40/04/573944004.db2.gz	GJBOWZXKNFDUAS-UHFFFAOYSA-N	0	0	198.269	3.069	10	0		AGAERN
Cc1ccc(F)c(C(=O)C2(C)CC2)c1	87549326	573944047	/nfs/dbraw/zinc/94/40/47/573944047.db2.gz	FCVPXIWCWPNSLE-UHFFFAOYSA-N	0	0	192.233	3.117	10	0		AGAERN
CCCC1=CC[C@H](C)C(=O)CC1	238201932	573944376	/nfs/dbraw/zinc/94/43/76/573944376.db2.gz	KVQZPZPUPIYXLE-VIFPVBQESA-N	0	0	166.264	3.102	10	0		AGAERN
C[C@H]1CC(C(=O)C2(C)CC2)C[C@H](C)C1	87548920	573944154	/nfs/dbraw/zinc/94/41/54/573944154.db2.gz	MSXKKLYUZBVOBV-NXEZZACHSA-N	0	0	194.318	3.428	10	0		AGAERN
CCC1CCC([C@@H](O)C2(C)CC2)CC1	87549832	573944231	/nfs/dbraw/zinc/94/42/31/573944231.db2.gz	RFIBWDJGDCVWJZ-HTAVTVPLSA-N	0	0	196.334	3.364	10	0		AGAERN
CCCC1=CC[C@@H](C)C(=O)CC1	238201811	573944364	/nfs/dbraw/zinc/94/43/64/573944364.db2.gz	KVQZPZPUPIYXLE-SECBINFHSA-N	0	0	166.264	3.102	10	0		AGAERN
Cc1ccc(F)cc1C(=O)C1(C)CC1	87549038	573944395	/nfs/dbraw/zinc/94/43/95/573944395.db2.gz	YRICJBNZDHSAOW-UHFFFAOYSA-N	0	0	192.233	3.117	10	0		AGAERN
Cc1ccc(CSC(C)C)cc1N	258186262	573945238	/nfs/dbraw/zinc/94/52/38/573945238.db2.gz	TUJIPAGNCWLXSQ-UHFFFAOYSA-N	0	0	195.331	3.219	10	0		AGAERN
CC1([C@H](O)c2ccc(Cl)cc2)CC1	87549900	573945303	/nfs/dbraw/zinc/94/53/03/573945303.db2.gz	MAAMIOGVRHGDRZ-SNVBAGLBSA-N	0	0	196.677	3.174	10	0		AGAERN
Cc1cccc(C(=O)C2(C)CC2)c1C	87549321	573946742	/nfs/dbraw/zinc/94/67/42/573946742.db2.gz	HFPGQSJKHILDKT-UHFFFAOYSA-N	0	0	188.270	3.286	10	0		AGAERN
CC1([C@H](O)c2cccc(Cl)c2)CC1	87549947	573946809	/nfs/dbraw/zinc/94/68/09/573946809.db2.gz	OBPCWJGQZJFEBM-SNVBAGLBSA-N	0	0	196.677	3.174	10	0		AGAERN
CC1=C(C)[C@]23CCCC[C@]12CC[C@@H]3O	238204184	573948541	/nfs/dbraw/zinc/94/85/41/573948541.db2.gz	MMBFWKBSKGPCLD-AVGNSLFASA-N	0	0	192.302	3.038	10	0		AGAERN
Cc1ccc(O)c([C@H](C)C(C)C)c1	238205960	573948621	/nfs/dbraw/zinc/94/86/21/573948621.db2.gz	JKMBBGFTDVWCOQ-SNVBAGLBSA-N	0	0	178.275	3.460	10	0		AGAERN
CC1=CC[C@@](F)(C(C)C)CC1	238205673	573948868	/nfs/dbraw/zinc/94/88/68/573948868.db2.gz	RKZZPUCMEFOKGX-JTQLQIEISA-N	0	0	156.244	3.481	10	0		AGAERN
COSc1ccc(C(C)C)cc1	259248672	573948952	/nfs/dbraw/zinc/94/89/52/573948952.db2.gz	OSUCZZCTFOTLQM-UHFFFAOYSA-N	0	0	182.288	3.464	10	0		AGAERN
CC(F)(F)CCNc1ccccc1	238206080	573949057	/nfs/dbraw/zinc/94/90/57/573949057.db2.gz	SSPPITGQMBPSPY-UHFFFAOYSA-N	0	0	185.217	3.144	10	0		AGAERN
CC(C[C@@H](O)c1ccccc1)=C(F)F	238204178	573949198	/nfs/dbraw/zinc/94/91/98/573949198.db2.gz	MKCOQMNXGLRTTE-SNVBAGLBSA-N	0	0	198.212	3.281	10	0		AGAERN
CC1(C)CC2=C(C=CC2)[C@@H]1CCCO	238204969	573949231	/nfs/dbraw/zinc/94/92/31/573949231.db2.gz	CGLBANBASOATMH-LBPRGKRZSA-N	0	0	192.302	3.062	10	0		AGAERN
CC1(C)CC2=C(C=CC2)[C@H]1CCCO	238205006	573949264	/nfs/dbraw/zinc/94/92/64/573949264.db2.gz	CGLBANBASOATMH-GFCCVEGCSA-N	0	0	192.302	3.062	10	0		AGAERN
CCCC1=C2CCCC[C@@H]2C(=O)C1	238207001	573950445	/nfs/dbraw/zinc/95/04/45/573950445.db2.gz	MIJOCHSYWSRTJI-NSHDSACASA-N	0	0	178.275	3.246	10	0		AGAERN
CC(C[C@H](O)c1ccccc1)=C(F)F	238204302	573949439	/nfs/dbraw/zinc/94/94/39/573949439.db2.gz	MKCOQMNXGLRTTE-JTQLQIEISA-N	0	0	198.212	3.281	10	0		AGAERN
CCC[C@H](C)C(=O)OC(C)(C)CC	308471914	573949853	/nfs/dbraw/zinc/94/98/53/573949853.db2.gz	KUMRLQQUMHVDBN-VIFPVBQESA-N	0	0	186.295	3.154	10	0		AGAERN
CC1(C)C[C@@H]1c1ccc(F)cc1	257913609	573949957	/nfs/dbraw/zinc/94/99/57/573949957.db2.gz	BDCQGCIMYLYJKZ-SNVBAGLBSA-N	0	0	164.223	3.339	10	0		AGAERN
CC(F)(F)Cn1ccc2ccccc21	238206556	573950136	/nfs/dbraw/zinc/95/01/36/573950136.db2.gz	GXUQMYOFMQVTOQ-UHFFFAOYSA-N	0	0	195.212	3.297	10	0		AGAERN
CC1(C)C[C@H]1c1ccc(F)cc1	257913578	573950187	/nfs/dbraw/zinc/95/01/87/573950187.db2.gz	BDCQGCIMYLYJKZ-JTQLQIEISA-N	0	0	164.223	3.339	10	0		AGAERN
CC(=C=C1CCCCC[C@@H]1O)C(C)C	238207857	573950193	/nfs/dbraw/zinc/95/01/93/573950193.db2.gz	TUQXIYCIOUCIER-NCWAPJAISA-N	0	0	194.318	3.439	10	0		AGAERN
Cc1cn(C(C)C)c(SC(C)C)n1	257914647	573950283	/nfs/dbraw/zinc/95/02/83/573950283.db2.gz	QHIVVZZZPYICQC-UHFFFAOYSA-N	0	0	198.335	3.273	10	0		AGAERN
CC(C)C(C)(C)[C@H]1CCCC[C@H]1O	238207296	573950285	/nfs/dbraw/zinc/95/02/85/573950285.db2.gz	IAVZOXVOMOBWCU-WDEREUQCSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1ccn(C2CCCCCC2)n1	85020341	573950359	/nfs/dbraw/zinc/95/03/59/573950359.db2.gz	JYORDGJGRSOEFA-UHFFFAOYSA-N	0	0	178.279	3.087	10	0		AGAERN
CC1(C)CCC[C@@H](C(C)(C)CO)C1	238207782	573950403	/nfs/dbraw/zinc/95/04/03/573950403.db2.gz	HCTOJSWFVUDHCP-SNVBAGLBSA-N	0	0	184.323	3.221	10	0		AGAERN
CC[C@@H](C)n1nc(C2CC2)cc1Cl	85019429	573950697	/nfs/dbraw/zinc/95/06/97/573950697.db2.gz	SLPAEPWXVUBEAJ-SSDOTTSWSA-N	0	0	198.697	3.385	10	0		AGAERN
CC(C)n1nc(C(F)F)cc1Cl	85019132	573950713	/nfs/dbraw/zinc/95/07/13/573950713.db2.gz	HUIOUOPYHAZJOE-UHFFFAOYSA-N	0	0	194.612	3.055	10	0		AGAERN
CCC(CC)n1ccc(C(C)C)n1	85020415	573950767	/nfs/dbraw/zinc/95/07/67/573950767.db2.gz	DLWLSAFYPALNOA-UHFFFAOYSA-N	0	0	180.295	3.368	10	0		AGAERN
Cc1cc(C)c(F)c(OC(C)C)c1	238208431	573950835	/nfs/dbraw/zinc/95/08/35/573950835.db2.gz	LQLMLAMFENEJJB-UHFFFAOYSA-N	0	0	182.238	3.230	10	0		AGAERN
CC(C)C(C)(C)[C@H]1C[C@H](C)CC[C@@H]1O	238207368	573950844	/nfs/dbraw/zinc/95/08/44/573950844.db2.gz	GMYGVWNYMZGDHW-WOPDTQHZSA-N	0	0	198.350	3.466	10	0		AGAERN
CC[C@H](C)n1nc(C2CC2)cc1Cl	85019430	573950874	/nfs/dbraw/zinc/95/08/74/573950874.db2.gz	SLPAEPWXVUBEAJ-ZETCQYMHSA-N	0	0	198.697	3.385	10	0		AGAERN
Cc1cc(C)cc([C@@H](O)CC2CC2)c1	87581365	573952566	/nfs/dbraw/zinc/95/25/66/573952566.db2.gz	UMZPADBXQWETDA-ZDUSSCGKSA-N	0	0	190.286	3.137	10	0		AGAERN
C[C@H]1C[C@H](C(=O)CC2CC2)CC[C@H]1C	87580950	573952576	/nfs/dbraw/zinc/95/25/76/573952576.db2.gz	MUBMQRXJKXMYBC-JFGNBEQYSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)[C@]1(C)CCC[C@H](C)C1=O	238208197	573952641	/nfs/dbraw/zinc/95/26/41/573952641.db2.gz	DQFCCHLNJRLNGM-ONGXEEELSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@@H](C)n1nc(C)c(C)c1Cl	85019407	573952756	/nfs/dbraw/zinc/95/27/56/573952756.db2.gz	JMOJIDTXDBBDRH-ZCFIWIBFSA-N	0	0	186.686	3.124	10	0		AGAERN
CC(C)[C@]1(C)CCC[C@@H](C)C1=O	238208175	573952803	/nfs/dbraw/zinc/95/28/03/573952803.db2.gz	DQFCCHLNJRLNGM-KOLCDFICSA-N	0	0	168.280	3.038	10	0		AGAERN
CCc1ccn(C2CCCCCC2)n1	85020347	573952837	/nfs/dbraw/zinc/95/28/37/573952837.db2.gz	DLIFXJOFWQAYHK-UHFFFAOYSA-N	0	0	192.306	3.341	10	0		AGAERN
CNc1ccc(NC2CCCC2)cc1	259245485	573952851	/nfs/dbraw/zinc/95/28/51/573952851.db2.gz	LWVGQITWBOOHPX-UHFFFAOYSA-N	0	0	190.290	3.083	10	0		AGAERN
CC(C)c1cc(Cl)n(C(C)C)n1	85019144	573952965	/nfs/dbraw/zinc/95/29/65/573952965.db2.gz	HLWJYGNGKNASFC-UHFFFAOYSA-N	0	0	186.686	3.241	10	0		AGAERN
CC(C)C(C)(C)[Si](C)(C)[C@@H](C)O	238207420	573952989	/nfs/dbraw/zinc/95/29/89/573952989.db2.gz	HUNWCFKJHPEKNE-VIFPVBQESA-N	0	0	188.387	3.051	10	0		AGAERN
CC(=C=C1CCCCC[C@H]1O)C(C)C	238207873	573953012	/nfs/dbraw/zinc/95/30/12/573953012.db2.gz	TUQXIYCIOUCIER-WCRCJTMVSA-N	0	0	194.318	3.439	10	0		AGAERN
CCCc1cc(Cl)n(C(C)C)n1	85019128	573953078	/nfs/dbraw/zinc/95/30/78/573953078.db2.gz	AVDBXWIRFYAKCG-UHFFFAOYSA-N	0	0	186.686	3.070	10	0		AGAERN
CC1(C)CCCCc2cccc(O)c21	238210030	573954424	/nfs/dbraw/zinc/95/44/24/573954424.db2.gz	FJPBTJMDNSBGLN-UHFFFAOYSA-N	0	0	190.286	3.396	10	0		AGAERN
CC/C(C)=C(/[NH2+]C)c1ccccc1	238209358	573954459	/nfs/dbraw/zinc/95/44/59/573954459.db2.gz	ZORRFAZRFBDGQT-ZRDIBKRKSA-N	0	0	175.275	3.047	10	0		AGAERN
CC1(C)[C@@H](O)C2(CC2)C12CCCCC2	238209535	573954124	/nfs/dbraw/zinc/95/41/24/573954124.db2.gz	DAMXOSNAGBCYTN-SNVBAGLBSA-N	0	0	194.318	3.118	10	0		AGAERN
CCCCCC[C@H](O)CC1CC1	87581148	573954222	/nfs/dbraw/zinc/95/42/22/573954222.db2.gz	YBYCFDCFXYMXBP-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
C[C@H]1CC([C@H](O)CC2CC2)C[C@H](C)C1	87581411	573954251	/nfs/dbraw/zinc/95/42/51/573954251.db2.gz	SHXYZYVKWVLKTK-GIPNMCIBSA-N	0	0	196.334	3.220	10	0		AGAERN
COC(=O)/C=C\C1CCCCCCC1	35923680	573954416	/nfs/dbraw/zinc/95/44/16/573954416.db2.gz	AZMLEBYBSRJLNT-KTKRTIGZSA-N	0	0	196.290	3.076	10	0		AGAERN
CC(C)[C@@]1(C)CCc2c(N)cccc21	238210724	573954356	/nfs/dbraw/zinc/95/43/56/573954356.db2.gz	PUDFPPGQAMQZFJ-CYBMUJFWSA-N	0	0	189.302	3.129	10	0		AGAERN
Cc1nc2ccc(C(C)(F)F)cc2o1	259026465	573954401	/nfs/dbraw/zinc/95/44/01/573954401.db2.gz	QQPKKMNSYIYSQS-UHFFFAOYSA-N	0	0	197.184	3.248	10	0		AGAERN
Cc1cc(CSC(C)C)ccc1N	258188731	573956850	/nfs/dbraw/zinc/95/68/50/573956850.db2.gz	UAMWVZPSWRLMDW-UHFFFAOYSA-N	0	0	195.331	3.219	10	0		AGAERN
CC1(C)CCC=C2CC(=O)CC[C@H]21	238209670	573956129	/nfs/dbraw/zinc/95/61/29/573956129.db2.gz	QTEMPFSRYRWVSZ-LLVKDONJSA-N	0	0	178.275	3.102	10	0		AGAERN
CC/C(F)=C(/F)[C@@H](O)c1ccccc1	238210357	573956156	/nfs/dbraw/zinc/95/61/56/573956156.db2.gz	RYMASYFTROWSKM-JUDLJHIGSA-N	0	0	198.212	3.281	10	0		AGAERN
CCC[C@@](C)(O)CC(CC)CC	127881111	573956315	/nfs/dbraw/zinc/95/63/15/573956315.db2.gz	DHPOWHHHZLWQOG-LLVKDONJSA-N	0	0	172.312	3.364	10	0		AGAERN
CC1=C(C/C=C/CO)C(C)(C)CCC1	238210401	573956506	/nfs/dbraw/zinc/95/65/06/573956506.db2.gz	GUSNCGWMAZZKNO-SNAWJCMRSA-N	0	0	194.318	3.452	10	0		AGAERN
CC1=C(CO)C[C@@H](C(C)(C)C)CC1	238209998	573956578	/nfs/dbraw/zinc/95/65/78/573956578.db2.gz	GCXCYYNXWPIWTK-NSHDSACASA-N	0	0	182.307	3.141	10	0		AGAERN
CCC[C@](C)(CO)C[C@@H](C)CC	85038017	573956874	/nfs/dbraw/zinc/95/68/74/573956874.db2.gz	GAQKNPRYJIILOL-QWRGUYRKSA-N	0	0	172.312	3.221	10	0		AGAERN
CC(C)C[C@]1(O)CCC[C@@H](C2CC2)C1	81647327	573956960	/nfs/dbraw/zinc/95/69/60/573956960.db2.gz	ZDTHLQSIEDMPKM-CHWSQXEVSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)C(c1ccc[nH]1)c1ccc[nH]1	238210924	573958099	/nfs/dbraw/zinc/95/80/99/573958099.db2.gz	GFPCNQAZTAKEJQ-UHFFFAOYSA-N	0	0	188.274	3.131	10	0		AGAERN
Cc1ccc(-c2ccccc2O)c(C)n1	35923689	573958348	/nfs/dbraw/zinc/95/83/48/573958348.db2.gz	IVHPXUHTZHMERW-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
CC(C)c1nc(C2CCC2)c(N)s1	87586020	573959593	/nfs/dbraw/zinc/95/95/93/573959593.db2.gz	JXOXQDHLTARUGR-UHFFFAOYSA-N	0	0	196.319	3.116	10	0		AGAERN
CCCC=C=CC(C)(C)C(C)=O	238212831	573959670	/nfs/dbraw/zinc/95/96/70/573959670.db2.gz	MEOXERSPYXQXRI-UHFFFAOYSA-N	0	0	166.264	3.113	10	0		AGAERN
CCSCc1ncc(C)n1C(C)C	257920197	573960077	/nfs/dbraw/zinc/96/00/77/573960077.db2.gz	RERWZTMCWKKITQ-UHFFFAOYSA-N	0	0	198.335	3.026	10	0		AGAERN
CCC(CC)CC(=O)c1cccnc1	127885779	573960188	/nfs/dbraw/zinc/96/01/88/573960188.db2.gz	MLDBLZJOAKVJNV-UHFFFAOYSA-N	0	0	191.274	3.091	10	0		AGAERN
CCC(CC)CC(=O)c1ccccn1	127885558	573960205	/nfs/dbraw/zinc/96/02/05/573960205.db2.gz	FINWASGZVMAJBE-UHFFFAOYSA-N	0	0	191.274	3.091	10	0		AGAERN
C=C=C[C@]1(C)CCCC(C)(C)C1=O	238211262	573960336	/nfs/dbraw/zinc/96/03/36/573960336.db2.gz	LCPNAPCJWALOGH-GFCCVEGCSA-N	0	0	178.275	3.113	10	0		AGAERN
CSCc1cc2cc(C)ccc2[nH]1	257913498	573960708	/nfs/dbraw/zinc/96/07/08/573960708.db2.gz	QFNIAQSVZINFBG-UHFFFAOYSA-N	0	0	191.299	3.339	10	0		AGAERN
CCC/C=C/[C@@]1(C)CCC(=O)C1	238216176	573964042	/nfs/dbraw/zinc/96/40/42/573964042.db2.gz	STXZCKAKHVZWCB-ZRQQLDRUSA-N	0	0	166.264	3.102	10	0		AGAERN
CCC=C=C(C)[C@@H](O)c1ccccc1	238216434	573964149	/nfs/dbraw/zinc/96/41/49/573964149.db2.gz	ZWJOCIKXTDUQBK-AZMWARKLSA-N	0	0	188.270	3.231	10	0		AGAERN
Cc1cccc(/C(=C\CO)C(C)C)c1	238217169	573964156	/nfs/dbraw/zinc/96/41/56/573964156.db2.gz	RAVPBVAFAZYEFH-QPEQYQDCSA-N	0	0	190.286	3.027	10	0		AGAERN
CC(C)c1ccc2cc(N)cc-2cc1	238215902	573964161	/nfs/dbraw/zinc/96/41/61/573964161.db2.gz	SVVNDHTWHBQKQJ-UHFFFAOYSA-N	0	0	185.270	3.497	10	0		AGAERN
CC1C(=S)Oc2ccccc21	259252371	573964647	/nfs/dbraw/zinc/96/46/47/573964647.db2.gz	AJUCLZFMSRJYPB-UHFFFAOYSA-N	0	0	164.229	3.030	10	0		AGAERN
CC1=C(C)C[C@H]([C@@H](O)C(C)C)[C@@H](C)C1	238219128	573964927	/nfs/dbraw/zinc/96/49/27/573964927.db2.gz	OAPDQWLDAJBUNF-AVGNSLFASA-N	0	0	196.334	3.386	10	0		AGAERN
CC(C)c1cccc2c1C[C@H](C)N2	238219774	573965045	/nfs/dbraw/zinc/96/50/45/573965045.db2.gz	ADULKISZJPPIGJ-VIFPVBQESA-N	0	0	175.275	3.167	10	0		AGAERN
CC1=C(C)C[C@@H]([C@@H](O)C(C)C)CC1	238219193	573965075	/nfs/dbraw/zinc/96/50/75/573965075.db2.gz	OKMJXWQDCSXVEA-RYUDHWBXSA-N	0	0	182.307	3.140	10	0		AGAERN
COc1ccc(C(C)(F)F)cc1C	259029733	573967250	/nfs/dbraw/zinc/96/72/50/573967250.db2.gz	RFBPUJKIQWLHEM-UHFFFAOYSA-N	0	0	186.201	3.115	10	0		AGAERN
CC(C)c1cccc2c1NC=CC2	238218591	573967253	/nfs/dbraw/zinc/96/72/53/573967253.db2.gz	BPFDBQMZUXLDOU-UHFFFAOYSA-N	0	0	173.259	3.292	10	0		AGAERN
CC1(C)CCC[C@]2(C)C=C[C@@H](O)C=C12	238218661	573966786	/nfs/dbraw/zinc/96/67/86/573966786.db2.gz	KVQFBMPKRSUPJN-ZWNOBZJWSA-N	0	0	192.302	3.060	10	0		AGAERN
CC1(C)CC[C@@]2(CO)CCCC=C2C1	238219318	573966656	/nfs/dbraw/zinc/96/66/56/573966656.db2.gz	MLIMFENFXXRASS-CYBMUJFWSA-N	0	0	194.318	3.286	10	0		AGAERN
CCC/C=C1/CCCCC[C@H]1O	238218306	573966855	/nfs/dbraw/zinc/96/68/55/573966855.db2.gz	VBWRHWIWAGODTG-ZJRUKIMVSA-N	0	0	168.280	3.038	10	0		AGAERN
CC1(C)CCC[C@]2(C)C=C[C@H](O)C=C12	238218676	573967193	/nfs/dbraw/zinc/96/71/93/573967193.db2.gz	KVQFBMPKRSUPJN-GXFFZTMASA-N	0	0	192.302	3.060	10	0		AGAERN
CNc1cccc(C2CCCC2)c1	259253341	573969086	/nfs/dbraw/zinc/96/90/86/573969086.db2.gz	NUZDTVPOGSCRCW-UHFFFAOYSA-N	0	0	175.275	3.386	10	0		AGAERN
CC1=CCC(=O)[C@]2(C)CCC[C@]12C	238227731	573969017	/nfs/dbraw/zinc/96/90/17/573969017.db2.gz	UUBPCZQYVNRLOP-NEPJUHHUSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1=CCCC(=O)[C@]2(C)CCC[C@@H]12	238228768	573971559	/nfs/dbraw/zinc/97/15/59/573971559.db2.gz	HIWGXDBMTLDUDV-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1=CCC(=O)[C@@]2(C)CCC[C@]12C	238227683	573971564	/nfs/dbraw/zinc/97/15/64/573971564.db2.gz	UUBPCZQYVNRLOP-VXGBXAGGSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(=O)Nc1cc(C)cc(C(C)C)c1	238228723	573970140	/nfs/dbraw/zinc/97/01/40/573970140.db2.gz	HUPAKNQYAIIXGM-UHFFFAOYSA-N	0	0	191.274	3.077	10	0		AGAERN
CC1=CCC(=O)[C@]2(C)CCC[C@@]12C	238227722	573970449	/nfs/dbraw/zinc/97/04/49/573970449.db2.gz	UUBPCZQYVNRLOP-RYUDHWBXSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1cc(O)c(C)c(C(C)C)c1	238228744	573970758	/nfs/dbraw/zinc/97/07/58/573970758.db2.gz	WQCKGYAPYOZTPM-UHFFFAOYSA-N	0	0	164.248	3.132	10	0		AGAERN
CC1=CCCC(=O)c2ccccc21	238228800	573970855	/nfs/dbraw/zinc/97/08/55/573970855.db2.gz	MCQNRVUCSZLHBI-UHFFFAOYSA-N	0	0	172.227	3.066	10	0		AGAERN
Cc1cc(Cl)cc(C(C)C)c1O	104391990	573971421	/nfs/dbraw/zinc/97/14/21/573971421.db2.gz	SUIHGAZJSOWLCR-UHFFFAOYSA-N	0	0	184.666	3.477	10	0		AGAERN
CC1=CCCC(=O)[C@@]2(C)CCC[C@H]12	238228713	573971611	/nfs/dbraw/zinc/97/16/11/573971611.db2.gz	HIWGXDBMTLDUDV-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1=CCC(=O)[C@@]2(C)CCC[C@@]12C	238227669	573971633	/nfs/dbraw/zinc/97/16/33/573971633.db2.gz	UUBPCZQYVNRLOP-NWDGAFQWSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1=CCCC(=O)[C@]2(C)CCC[C@H]12	238228783	573971674	/nfs/dbraw/zinc/97/16/74/573971674.db2.gz	HIWGXDBMTLDUDV-ZYHUDNBSSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1=C(C)C[C@H](C)CC1	104392574	573971763	/nfs/dbraw/zinc/97/17/63/573971763.db2.gz	BNFMZPKOXZHOMZ-SSDOTTSWSA-N	0	0	124.227	3.143	10	0		AGAERN
CC1(C)CCc2c(C=O)cccc2C1	238228293	573971806	/nfs/dbraw/zinc/97/18/06/573971806.db2.gz	IJSCMHDYEVNURW-UHFFFAOYSA-N	0	0	188.270	3.014	10	0		AGAERN
CC(=O)c1cc(O)c(C(C)C)cc1C	238228348	573971823	/nfs/dbraw/zinc/97/18/23/573971823.db2.gz	DHIYIWMBVZVWMX-UHFFFAOYSA-N	0	0	192.258	3.027	10	0		AGAERN
CCC[C@H]1C[C@@H]1c1ccsc1N	238228803	573971854	/nfs/dbraw/zinc/97/18/54/573971854.db2.gz	KHZLNLRNQHHHCU-CBAPKCEASA-N	0	0	181.304	3.234	10	0		AGAERN
CCC[C@H]1C[C@@H]1c1sccc1N	238228840	573971924	/nfs/dbraw/zinc/97/19/24/573971924.db2.gz	NKKZNNUITIHXBX-YUMQZZPRSA-N	0	0	181.304	3.234	10	0		AGAERN
Cc1c(C)c(C)c2c(c1C)C=CC2	104395641	573971940	/nfs/dbraw/zinc/97/19/40/573971940.db2.gz	BTHBCCZRFGZQGK-UHFFFAOYSA-N	0	0	172.271	3.490	10	0		AGAERN
CCc1ccc(-c2nc(C)c[nH]2)s1	104398365	573972013	/nfs/dbraw/zinc/97/20/13/573972013.db2.gz	AVIADLBYMTYNRS-UHFFFAOYSA-N	0	0	192.287	3.009	10	0		AGAERN
CC1=C(CCO)C[C@@H](C(C)C)CC1	238228930	573974079	/nfs/dbraw/zinc/97/40/79/573974079.db2.gz	KZOWWMNJHFIZJF-NSHDSACASA-N	0	0	182.307	3.141	10	0		AGAERN
CC(C)(C)C(Cl)(CO)C(C)(C)C	198625148	573973447	/nfs/dbraw/zinc/97/34/47/573973447.db2.gz	LUVNDOTYPXEWOT-UHFFFAOYSA-N	0	0	192.730	3.049	10	0		AGAERN
Cc1cccc2[nH]c(C(F)(F)F)cc12	104392318	573973711	/nfs/dbraw/zinc/97/37/11/573973711.db2.gz	HOKFFUSWQZKVRD-UHFFFAOYSA-N	0	0	199.175	3.495	10	0		AGAERN
CC1(C(F)C=O)CCCCC1	238229260	573973824	/nfs/dbraw/zinc/97/38/24/573973824.db2.gz	VWGCDERJZZCFRB-FPLPWBNLSA-N	0	0	158.216	3.326	10	0		AGAERN
CC1=C(C)C[C@@H](C)CC1	104392577	573973921	/nfs/dbraw/zinc/97/39/21/573973921.db2.gz	BNFMZPKOXZHOMZ-ZETCQYMHSA-N	0	0	124.227	3.143	10	0		AGAERN
CCCNc1cc2ccccc2n1C	238221447	573977181	/nfs/dbraw/zinc/97/71/81/573977181.db2.gz	DSHCBDVGELAYRY-UHFFFAOYSA-N	0	0	188.274	3.000	10	0		AGAERN
CC1=CCCC[C@@H](O)c2ccccc21	238230088	573977612	/nfs/dbraw/zinc/97/76/12/573977612.db2.gz	OBQDGOMZFIGRSB-CYBMUJFWSA-N	0	0	188.270	3.307	10	0		AGAERN
CCC[C@@H]1Nc2ccccc2[C@@H]1C	238221687	573977796	/nfs/dbraw/zinc/97/77/96/573977796.db2.gz	GEZURHQGAYPNKY-ONGXEEELSA-N	0	0	175.275	3.384	10	0		AGAERN
CC1(C)CC[C@@H](O)C2=C1CCCC2	238224081	573979431	/nfs/dbraw/zinc/97/94/31/573979431.db2.gz	WTDLTAWTOMKIOV-LLVKDONJSA-N	0	0	180.291	3.038	10	0		AGAERN
CCC(CC)C[C@H](O)CC(F)(F)F	127951055	573981037	/nfs/dbraw/zinc/98/10/37/573981037.db2.gz	JBCIPCBYEOZZQT-QMMMGPOBSA-N	0	0	198.228	3.126	10	0		AGAERN
Cc1ccc(Cl)c2c1NC[C@H]2C	107459953	573980445	/nfs/dbraw/zinc/98/04/45/573980445.db2.gz	KXUZRIHUPHNDSI-SSDOTTSWSA-N	0	0	181.666	3.177	10	0		AGAERN
Cc1cccc2c1[C@@H](C(C)C)CN2	107458747	573980554	/nfs/dbraw/zinc/98/05/54/573980554.db2.gz	NHCLPZFOVQLVFL-SNVBAGLBSA-N	0	0	175.275	3.160	10	0		AGAERN
CC1(C)[C@H](O)C2(CC2)C12CCCCC2	238223451	573980936	/nfs/dbraw/zinc/98/09/36/573980936.db2.gz	DAMXOSNAGBCYTN-JTQLQIEISA-N	0	0	194.318	3.118	10	0		AGAERN
CC1=CC(C)(C)CCC(=O)CC1	238223786	573981131	/nfs/dbraw/zinc/98/11/31/573981131.db2.gz	GKXWHAHRAHHZOM-UHFFFAOYSA-N	0	0	166.264	3.102	10	0		AGAERN
Cc1cc(C)c(O)c(C(C)C)c1C	238223139	573981221	/nfs/dbraw/zinc/98/12/21/573981221.db2.gz	NISRLJPHUDLRCH-UHFFFAOYSA-N	0	0	178.275	3.441	10	0		AGAERN
CCC(CC)C[C@@H](O)c1ccco1	127960350	573981345	/nfs/dbraw/zinc/98/13/45/573981345.db2.gz	KHDLJLYKEFAYBC-SNVBAGLBSA-N	0	0	182.263	3.139	10	0		AGAERN
CCC(CC)C[C@@H](O)CC(F)(F)F	127951261	573981491	/nfs/dbraw/zinc/98/14/91/573981491.db2.gz	JBCIPCBYEOZZQT-MRVPVSSYSA-N	0	0	198.228	3.126	10	0		AGAERN
C[C@H](CO)C[C@H]1C[C@H](C)CC1(C)C	256081305	573981692	/nfs/dbraw/zinc/98/16/92/573981692.db2.gz	JDXDZOPSWDWWDU-GARJFASQSA-N	0	0	184.323	3.077	10	0		AGAERN
CCC(CC)C[C@H](O)c1ccco1	127960105	573981727	/nfs/dbraw/zinc/98/17/27/573981727.db2.gz	KHDLJLYKEFAYBC-JTQLQIEISA-N	0	0	182.263	3.139	10	0		AGAERN
C[C@H](CO)C[C@@H]1C[C@H](C)CC1(C)C	256081304	573982115	/nfs/dbraw/zinc/98/21/15/573982115.db2.gz	JDXDZOPSWDWWDU-DCAQKATOSA-N	0	0	184.323	3.077	10	0		AGAERN
CCCSC[C@H](F)C(F)(F)F	393601574	573982454	/nfs/dbraw/zinc/98/24/54/573982454.db2.gz	UFZVVLXUYDAJIV-YFKPBYRVSA-N	0	0	190.205	3.030	10	0		AGAERN
CCC(CC)C[C@H](O)[C@@H](C)CC	127966928	573982512	/nfs/dbraw/zinc/98/25/12/573982512.db2.gz	XZVWHFFRAVHLPN-ONGXEEELSA-N	0	0	172.312	3.220	10	0		AGAERN
CC(C)c1cccc2c1CCCO2	82063163	573982559	/nfs/dbraw/zinc/98/25/59/573982559.db2.gz	IHVAOZQYAIHHIN-UHFFFAOYSA-N	0	0	176.259	3.135	10	0		AGAERN
CCC(CC)C[C@@H](O)[C@@H](C)CC	127966460	573982665	/nfs/dbraw/zinc/98/26/65/573982665.db2.gz	XZVWHFFRAVHLPN-GXSJLCMTSA-N	0	0	172.312	3.220	10	0		AGAERN
Cc1c(N=O)ccc(O)c1C(C)C	238225189	573983021	/nfs/dbraw/zinc/98/30/21/573983021.db2.gz	KJLMBYZQUVASKJ-UHFFFAOYSA-N	0	0	179.219	3.222	10	0		AGAERN
CCC1(CC)CCC(C)(C)C1=O	238224498	573983070	/nfs/dbraw/zinc/98/30/70/573983070.db2.gz	JVHBMQLRAFQMBQ-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC(CC)C[C@@H](O)[C@H](C)CC	127966212	573983074	/nfs/dbraw/zinc/98/30/74/573983074.db2.gz	XZVWHFFRAVHLPN-MWLCHTKSSA-N	0	0	172.312	3.220	10	0		AGAERN
Cc1ccc(N2CCC(C)CC2)cc1	82050825	573985928	/nfs/dbraw/zinc/98/59/28/573985928.db2.gz	YMKCHVDAAZJDTM-UHFFFAOYSA-N	0	0	189.302	3.231	10	0		AGAERN
CCC(=O)[C@@H]1CCCC=C1CC	238226314	573986932	/nfs/dbraw/zinc/98/69/32/573986932.db2.gz	HLBONCMVGQZEOQ-SNVBAGLBSA-N	0	0	166.264	3.102	10	0		AGAERN
CCc1nc2cc(F)cc(F)c2s1	104460907	573987886	/nfs/dbraw/zinc/98/78/86/573987886.db2.gz	HZKBGNDRYZVSTF-UHFFFAOYSA-N	0	0	199.225	3.137	10	0		AGAERN
CC/C=C/CC/C=C/Cl	82129263	573987710	/nfs/dbraw/zinc/98/77/10/573987710.db2.gz	JQRZGFSBAUGRIJ-DYWGDJMRSA-N	0	0	144.645	3.485	10	0		AGAERN
Cc1ccc([C@]2(C)CCC(=O)C2)cc1	104456911	573987931	/nfs/dbraw/zinc/98/79/31/573987931.db2.gz	BKGHCDINFFMWNU-CYBMUJFWSA-N	0	0	188.270	3.006	10	0		AGAERN
Cc1cccc2c1SCC(C)(C)N2	259259469	573988036	/nfs/dbraw/zinc/98/80/36/573988036.db2.gz	OHDBXBZIDVLMHH-UHFFFAOYSA-N	0	0	193.315	3.291	10	0		AGAERN
CCc1nc2cccc(C)c2s1	104458454	573988167	/nfs/dbraw/zinc/98/81/67/573988167.db2.gz	DQRURPYUOGRVCK-UHFFFAOYSA-N	0	0	177.272	3.167	10	0		AGAERN
CCC(/C=C\Br)CC	216765608	573988100	/nfs/dbraw/zinc/98/81/00/573988100.db2.gz	IMWSXTNVOUYDNZ-WAYWQWQTSA-N	0	0	177.085	3.331	10	0		AGAERN
CCC/C=C/C(=O)O[C@H](C)CCC	216731945	573988118	/nfs/dbraw/zinc/98/81/18/573988118.db2.gz	AIPLTMKUKMPUKN-TTZKWOQHSA-N	0	0	184.279	3.075	10	0		AGAERN
C/C(=C\Cl)C(Cl)(Cl)Cl	82110225	573988719	/nfs/dbraw/zinc/98/87/19/573988719.db2.gz	YVBGECCRKRUUCG-NSCUHMNNSA-N	0	0	193.888	3.499	10	0		AGAERN
CCc1ccc2nc(CC)sc2c1	104459109	573988178	/nfs/dbraw/zinc/98/81/78/573988178.db2.gz	ZVJMPADGNTUZGV-UHFFFAOYSA-N	0	0	191.299	3.421	10	0		AGAERN
CCC[C@H]1C[C@H]1c1cscc1N	238230619	573988253	/nfs/dbraw/zinc/98/82/53/573988253.db2.gz	AJTVGESESLASSL-JGVFFNPUSA-N	0	0	181.304	3.234	10	0		AGAERN
CCc1nc2c(C)ccc(C)c2s1	104460438	573988723	/nfs/dbraw/zinc/98/87/23/573988723.db2.gz	AZOFSTSCGUYKRF-UHFFFAOYSA-N	0	0	191.299	3.476	10	0		AGAERN
CCc1nc2c(F)cc(F)cc2s1	104460448	573988384	/nfs/dbraw/zinc/98/83/84/573988384.db2.gz	LRVKFKKCKOWDTH-UHFFFAOYSA-N	0	0	199.225	3.137	10	0		AGAERN
CCc1nc2c(C)c(C)ccc2s1	104459942	573988434	/nfs/dbraw/zinc/98/84/34/573988434.db2.gz	OUOCDHMJWLBLBV-UHFFFAOYSA-N	0	0	191.299	3.476	10	0		AGAERN
CCCOCc1ccc(C)cc1C	82226818	573988782	/nfs/dbraw/zinc/98/87/82/573988782.db2.gz	ULLUTRQCAAGTHX-UHFFFAOYSA-N	0	0	178.275	3.230	10	0		AGAERN
CC1CCC([C@@H](O)c2ccoc2)CC1	82193652	573988789	/nfs/dbraw/zinc/98/87/89/573988789.db2.gz	NCQPVBNQGQAKCC-RTYFJBAXSA-N	0	0	194.274	3.139	10	0		AGAERN
CCc1cccc2sc(C)nc12	104458828	573988790	/nfs/dbraw/zinc/98/87/90/573988790.db2.gz	AHCZZSVPHKIWOS-UHFFFAOYSA-N	0	0	177.272	3.167	10	0		AGAERN
CC(C)=Cc1ccc(C)cc1	104460968	573988864	/nfs/dbraw/zinc/98/88/64/573988864.db2.gz	ZFTQKLSGJKJCJA-UHFFFAOYSA-N	0	0	146.233	3.418	10	0		AGAERN
Cc1c(N)cc(C(C)C)cc1Cl	238231086	573989811	/nfs/dbraw/zinc/98/98/11/573989811.db2.gz	RDQNVOAHXRFTPG-UHFFFAOYSA-N	0	0	183.682	3.354	10	0		AGAERN
CCc1nc2c(F)ccc(F)c2s1	104461316	573989895	/nfs/dbraw/zinc/98/98/95/573989895.db2.gz	AAIQMANIKDMDSP-UHFFFAOYSA-N	0	0	199.225	3.137	10	0		AGAERN
CCCC(=O)c1sccc1Cl	87620791	573990021	/nfs/dbraw/zinc/99/00/21/573990021.db2.gz	UVKRNPUQEODWTP-UHFFFAOYSA-N	0	0	188.679	3.384	10	0		AGAERN
CC1=CCC[C@H]1[C@@H](O)c1ccccc1	238232980	573992167	/nfs/dbraw/zinc/99/21/67/573992167.db2.gz	CQXKHQHFVIAKKT-OLZOCXBDSA-N	0	0	188.270	3.076	10	0		AGAERN
CC1=CCC[C@]2(C)C(=O)CCC=C12	238233355	573991762	/nfs/dbraw/zinc/99/17/62/573991762.db2.gz	WRVOXXHEPVQQRQ-LBPRGKRZSA-N	0	0	176.259	3.022	10	0		AGAERN
CCC(=O)[C@H]1CCCC=C1CC	238233558	573991768	/nfs/dbraw/zinc/99/17/68/573991768.db2.gz	HLBONCMVGQZEOQ-JTQLQIEISA-N	0	0	166.264	3.102	10	0		AGAERN
CCC[C@](C)(O)[C@@H]1CCC[C@H](C)C1	87648515	573991775	/nfs/dbraw/zinc/99/17/75/573991775.db2.gz	FOROUHDBFMDPKW-TUAOUCFPSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@](C)(O)C1CCCCC1	87648827	573991952	/nfs/dbraw/zinc/99/19/52/573991952.db2.gz	BEOBLTWSYKMGHH-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
CCC[C@@](C)(O)c1csc(C)c1	87648710	573991975	/nfs/dbraw/zinc/99/19/75/573991975.db2.gz	PFHGRJQGLOJNOI-SNVBAGLBSA-N	0	0	184.304	3.064	10	0		AGAERN
CC1=CCC[C@]2(C)CCCC(=O)[C@@H]12	238233494	573992011	/nfs/dbraw/zinc/99/20/11/573992011.db2.gz	INLREHUAHOMLET-VXGBXAGGSA-N	0	0	178.275	3.102	10	0		AGAERN
CCC[C@@H](O)c1sccc1Cl	87623155	573992020	/nfs/dbraw/zinc/99/20/20/573992020.db2.gz	CFAOGMICNBRTQV-SSDOTTSWSA-N	0	0	190.695	3.235	10	0		AGAERN
CC1=CCC[C@]1(C)c1ccccc1O	238233272	573992083	/nfs/dbraw/zinc/99/20/83/573992083.db2.gz	UXOUWCKFXSMMJX-ZDUSSCGKSA-N	0	0	188.270	3.390	10	0		AGAERN
CC(C)[C@H]1CC[C@@H](C)CCC1=O	238232651	573992106	/nfs/dbraw/zinc/99/21/06/573992106.db2.gz	VAFHHZVJQMMSAT-NXEZZACHSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC[C@@](C)(O)C1CCC(C)CC1	87648712	573992240	/nfs/dbraw/zinc/99/22/40/573992240.db2.gz	POJIWEIWUGLRSN-HTAVTVPLSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@](C)(O)C1CCC(C)CC1	87648711	573992265	/nfs/dbraw/zinc/99/22/65/573992265.db2.gz	POJIWEIWUGLRSN-MCIGGMRASA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H]1CCc2c1[nH]c1c(C=O)cccc21	45813892	573994062	/nfs/dbraw/zinc/99/40/62/573994062.db2.gz	UILUEFWCUVDELH-QMMMGPOBSA-N	0	0	199.253	3.030	10	0		AGAERN
CC1(C)C(=C=C2CCCCC2)[C@H]1CO	238234850	573994231	/nfs/dbraw/zinc/99/42/31/573994231.db2.gz	IBQVBVFSMXPVGA-GFCCVEGCSA-N	0	0	192.302	3.051	10	0		AGAERN
CCCCC/C=C(/C)C[C@H](C)O	238234378	573994440	/nfs/dbraw/zinc/99/44/40/573994440.db2.gz	MMGOUYFHPHGKNP-IEHMKBBKSA-N	0	0	170.296	3.284	10	0		AGAERN
O=C1CCCc2cccc(C(F)F)c21	104473925	573995993	/nfs/dbraw/zinc/99/59/93/573995993.db2.gz	MFQYRRQSICKXMP-UHFFFAOYSA-N	0	0	196.196	3.143	10	0		AGAERN
Cc1c(Cl)cccc1-c1ncc[nH]1	104472602	573996128	/nfs/dbraw/zinc/99/61/28/573996128.db2.gz	CHTOMPXTJBRDRK-UHFFFAOYSA-N	0	0	192.649	3.039	10	0		AGAERN
CC(C)[C@H]1CC[C@@](C)(CO)C1(C)C	238235554	573996161	/nfs/dbraw/zinc/99/61/61/573996161.db2.gz	HHPMKXDWXYXCBT-PWSUYJOCSA-N	0	0	184.323	3.077	10	0		AGAERN
CCC[C@H](O)/C(F)=C(/F)C(C)(C)C	222794338	573996261	/nfs/dbraw/zinc/99/62/61/573996261.db2.gz	XFUJQNPHCKWVMX-RDONPILCSA-N	0	0	192.249	3.344	10	0		AGAERN
CCSCC(=O)CC(CC)CC	127903322	573996355	/nfs/dbraw/zinc/99/63/55/573996355.db2.gz	HOSKMANXZHUNKX-UHFFFAOYSA-N	0	0	188.336	3.135	10	0		AGAERN
CCC(CC)CC(=O)c1cscn1	127925388	573996397	/nfs/dbraw/zinc/99/63/97/573996397.db2.gz	LBRPLFQMXVJLEP-UHFFFAOYSA-N	0	0	197.303	3.152	10	0		AGAERN
CCC(CC)CC(=O)c1cncs1	127924687	573996442	/nfs/dbraw/zinc/99/64/42/573996442.db2.gz	FOYFILSQRZRVLX-UHFFFAOYSA-N	0	0	197.303	3.152	10	0		AGAERN
CC(C)[C@@H]1CCC(=O)[C@@H](C)CC1	238236389	573998350	/nfs/dbraw/zinc/99/83/50/573998350.db2.gz	RHFLAKZXGKSTSL-UWVGGRQHSA-N	0	0	168.280	3.038	10	0		AGAERN
COc1nccc(C)c1-c1ccccc1	47211926	573998399	/nfs/dbraw/zinc/99/83/99/573998399.db2.gz	CRWDMXBPAJVOMD-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
CC(C)[C@H](C)C(=O)C[C@@H]1CC[C@@H]2C[C@H]12	716914947	573998723	/nfs/dbraw/zinc/99/87/23/573998723.db2.gz	IOZOIKIEXLSGMO-USZNOCQGSA-N	0	0	194.318	3.284	10	0		AGAERN
CCCc1c(C)[nH]c2c1C=CC=CC2	238236407	573999147	/nfs/dbraw/zinc/99/91/47/573999147.db2.gz	ABEYWHUXRNQSFM-UHFFFAOYSA-N	0	0	187.286	3.401	10	0		AGAERN
Cc1ccc(C(C)C)cc1/C=C/CO	238236679	573999226	/nfs/dbraw/zinc/99/92/26/573999226.db2.gz	DSJZGFQFBQXSKD-SNAWJCMRSA-N	0	0	190.286	3.124	10	0		AGAERN
COc1cc(C)c(-c2ccccc2)cn1	47211928	573999481	/nfs/dbraw/zinc/99/94/81/573999481.db2.gz	IHMHNDNEKUBWFM-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
CC(C)[C@H]1CC[C@H](C)CC(=O)C1	238236638	573999933	/nfs/dbraw/zinc/99/99/33/573999933.db2.gz	LIDRUEMGEUEAEY-UWVGGRQHSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCc1c(O)ccc2c1CCCC2	238237010	574000148	/nfs/dbraw/zinc/00/01/48/574000148.db2.gz	CVVLAQSKLFEJLB-UHFFFAOYSA-N	0	0	190.286	3.224	10	0		AGAERN
CC[C@H](C)[C@@H]1CCC[C@H](C(=O)OC)C1	259591383	574002134	/nfs/dbraw/zinc/00/21/34/574002134.db2.gz	LJGWXRMKXLBPIL-AXFHLTTASA-N	0	0	198.306	3.012	10	0		AGAERN
CC1(C)C[C@@H](O)CC2=C1CCCC2	238238958	574002187	/nfs/dbraw/zinc/00/21/87/574002187.db2.gz	ZXMHYQOZUAJQIY-JTQLQIEISA-N	0	0	180.291	3.038	10	0		AGAERN
CCC1=C(CC)CCC(=O)CC1	238237716	574003065	/nfs/dbraw/zinc/00/30/65/574003065.db2.gz	LTGBWZUCOYRQKF-UHFFFAOYSA-N	0	0	166.264	3.246	10	0		AGAERN
CC[C@H](C)[C@@H]1CCC[C@@H](C(=O)OC)C1	259591392	574003413	/nfs/dbraw/zinc/00/34/13/574003413.db2.gz	LJGWXRMKXLBPIL-HBNTYKKESA-N	0	0	198.306	3.012	10	0		AGAERN
C1=C[C@H]2c3ccccc3NC[C@H]2CC1	197869117	574004471	/nfs/dbraw/zinc/00/44/71/574004471.db2.gz	MSAPXSINAGEOOI-GHMZBOCLSA-N	0	0	185.270	3.162	10	0		AGAERN
CC(C)(C)[C@](C)(F)c1ccc(N)cc1	258199986	574006086	/nfs/dbraw/zinc/00/60/86/574006086.db2.gz	WSBGCEPJWKOYGQ-GFCCVEGCSA-N	0	0	195.281	3.500	10	0		AGAERN
C1=C[C@@H]2c3ccccc3NC[C@@H]2CC1	197869146	574006098	/nfs/dbraw/zinc/00/60/98/574006098.db2.gz	MSAPXSINAGEOOI-QWRGUYRKSA-N	0	0	185.270	3.162	10	0		AGAERN
CCCc1cc2[nH]cnc2cc1CC	238239408	574006380	/nfs/dbraw/zinc/00/63/80/574006380.db2.gz	IRWAKXIMJKLXLE-UHFFFAOYSA-N	0	0	188.274	3.078	10	0		AGAERN
CC1=CCc2cc(C)cc(C)c21	238245846	574009164	/nfs/dbraw/zinc/00/91/64/574009164.db2.gz	WRWJHLPODMLBBZ-UHFFFAOYSA-N	0	0	158.244	3.263	10	0		AGAERN
CSc1cc(C)c(C)cc1[C@H](C)O	258203320	574008993	/nfs/dbraw/zinc/00/89/93/574008993.db2.gz	YQQIIOQCBIMXIO-VIFPVBQESA-N	0	0	196.315	3.079	10	0		AGAERN
CC1=C(C)C[C@@]2(C)C(=O)CC[C@H]2C1	238246718	574008961	/nfs/dbraw/zinc/00/89/61/574008961.db2.gz	VKBHBNXSPKUKIF-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1(C)Cc2cccc(Cl)c2C1=O	238246383	574008986	/nfs/dbraw/zinc/00/89/86/574008986.db2.gz	QHTKUZNYVNDPHA-UHFFFAOYSA-N	0	0	194.661	3.105	10	0		AGAERN
CCc1ccc(C)c2c1C(=O)CCC2	104498196	574014209	/nfs/dbraw/zinc/01/42/09/574014209.db2.gz	LLLPZVOIHQGGBV-UHFFFAOYSA-N	0	0	188.270	3.076	10	0		AGAERN
CCCC[C@@H](CC)c1n[nH]c(CC)n1	48630692	574013783	/nfs/dbraw/zinc/01/37/83/574013783.db2.gz	HWGBDPLVLVGKNZ-SECBINFHSA-N	0	0	195.310	3.051	10	0		AGAERN
CCCC[C@H](CC)c1n[nH]c(CC)n1	48630693	574013914	/nfs/dbraw/zinc/01/39/14/574013914.db2.gz	HWGBDPLVLVGKNZ-VIFPVBQESA-N	0	0	195.310	3.051	10	0		AGAERN
CC(C)(C)c1cccc2c1CCC2=O	104496982	574013925	/nfs/dbraw/zinc/01/39/25/574013925.db2.gz	NBUBOMICFVPCKK-UHFFFAOYSA-N	0	0	188.270	3.113	10	0		AGAERN
CC(C)c1ccc(Cl)cc1C=O	85220176	574014089	/nfs/dbraw/zinc/01/40/89/574014089.db2.gz	KUGQOKROJFMWCP-UHFFFAOYSA-N	0	0	182.650	3.276	10	0		AGAERN
CC(C)Cc1ccc2c(c1)CCC2=O	104496976	574015200	/nfs/dbraw/zinc/01/52/00/574015200.db2.gz	GZEXPBRZCZWRSH-UHFFFAOYSA-N	0	0	188.270	3.014	10	0		AGAERN
Cc1ccc(C(C)(C)Cl)cc1	111355237	574015233	/nfs/dbraw/zinc/01/52/33/574015233.db2.gz	ITTZHNHXCRWVKL-UHFFFAOYSA-N	0	0	168.667	3.469	10	0		AGAERN
CCC[C@@]1(C)Cc2ccccc2N1	238240509	574015244	/nfs/dbraw/zinc/01/52/44/574015244.db2.gz	LFZWKEXGDYVJOT-LBPRGKRZSA-N	0	0	175.275	3.213	10	0		AGAERN
CC(C)Cc1ccc(Cl)cc1C=O	85220174	574016191	/nfs/dbraw/zinc/01/61/91/574016191.db2.gz	NXHCEBBQZARPRB-UHFFFAOYSA-N	0	0	196.677	3.351	10	0		AGAERN
O[C@@H](C1CCCCCCC1)C1CC1	87690120	574017285	/nfs/dbraw/zinc/01/72/85/574017285.db2.gz	DAIZIXHDRKHQBE-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
O=C1CCCc2c1cccc2C(F)F	104508063	574019365	/nfs/dbraw/zinc/01/93/65/574019365.db2.gz	UVFPPWOZAPKMCZ-UHFFFAOYSA-N	0	0	196.196	3.143	10	0		AGAERN
COc1nc(-c2ccccc2)ccc1C	396095571	574023109	/nfs/dbraw/zinc/02/31/09/574023109.db2.gz	LDOWHGNXFSTPMH-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
CCCCC[C@H](C)Nc1ccccn1	49099588	574023245	/nfs/dbraw/zinc/02/32/45/574023245.db2.gz	JICVVWAOLBGQOL-NSHDSACASA-N	0	0	192.306	3.462	10	0		AGAERN
Cc1ccc(C)c(-c2cc(C)no2)c1	259277167	574024143	/nfs/dbraw/zinc/02/41/43/574024143.db2.gz	PBAPPQOIPCBWBR-UHFFFAOYSA-N	0	0	187.242	3.267	10	0		AGAERN
CCCC(=O)Cc1cc(C)ccc1C	49257685	574024868	/nfs/dbraw/zinc/02/48/68/574024868.db2.gz	XJJAWUPKQPBOEN-UHFFFAOYSA-N	0	0	190.286	3.215	10	0		AGAERN
CCCC(CCC)(NC)C(F)(F)F	85276581	574024288	/nfs/dbraw/zinc/02/42/88/574024288.db2.gz	CGEGNAZAOPFGEI-UHFFFAOYSA-N	0	0	197.244	3.107	10	0		AGAERN
Cc1c(N)noc1C1CCCCCC1	85278143	574024353	/nfs/dbraw/zinc/02/43/53/574024353.db2.gz	SMZZVGRRLLRSQV-UHFFFAOYSA-N	0	0	194.278	3.003	10	0		AGAERN
Cc1nc(CC(C)C)sc1Cl	259278684	574024395	/nfs/dbraw/zinc/02/43/95/574024395.db2.gz	LXYJYPMSBPBDES-UHFFFAOYSA-N	0	0	189.711	3.303	10	0		AGAERN
Cc1ccccc1Cc1cccc(N)c1	259033143	574024606	/nfs/dbraw/zinc/02/46/06/574024606.db2.gz	BTUNJPJBGDTQEN-UHFFFAOYSA-N	0	0	197.281	3.168	10	0		AGAERN
CCCC[C@H](NCCC)C(F)(F)F	85277564	574024742	/nfs/dbraw/zinc/02/47/42/574024742.db2.gz	NJBXKFXJMMSFOL-QMMMGPOBSA-N	0	0	197.244	3.107	10	0		AGAERN
CCC(=O)CCCC(C)(C)C	49255504	574026630	/nfs/dbraw/zinc/02/66/30/574026630.db2.gz	MDWJBMAUHBQRDP-UHFFFAOYSA-N	0	0	156.269	3.182	10	0		AGAERN
CC(=O)[C@H](C)CCCc1ccccc1	49258662	574026965	/nfs/dbraw/zinc/02/69/65/574026965.db2.gz	NWSNDYXHDTUZBG-LLVKDONJSA-N	0	0	190.286	3.234	10	0		AGAERN
CC[C@H](CCC(C)(C)C)C(C)=O	49255518	574027289	/nfs/dbraw/zinc/02/72/89/574027289.db2.gz	KDYPEZZLCCVUIT-SNVBAGLBSA-N	0	0	170.296	3.428	10	0		AGAERN
CC(=O)[C@@H](C)CCCc1ccccc1	49258660	574027386	/nfs/dbraw/zinc/02/73/86/574027386.db2.gz	NWSNDYXHDTUZBG-NSHDSACASA-N	0	0	190.286	3.234	10	0		AGAERN
CCC(CC)[C@@]1(O)CCC(C)(C)C1	87773117	574029010	/nfs/dbraw/zinc/02/90/10/574029010.db2.gz	JBQPBPYQEDIRDD-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC1(C)CC[C@@](O)(c2cccs2)C1	87773127	574028986	/nfs/dbraw/zinc/02/89/86/574028986.db2.gz	SHMLNEJOQIXBOP-NSHDSACASA-N	0	0	196.315	3.146	10	0		AGAERN
CC(C)C(=O)[C@H]1CCC(C)(C)C1	87770730	574028532	/nfs/dbraw/zinc/02/85/32/574028532.db2.gz	GXGFYWHFMRRVLY-VIFPVBQESA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(CC)C(=O)C[C@@H]1CC[C@@H]2C[C@H]12	716949620	574028599	/nfs/dbraw/zinc/02/85/99/574028599.db2.gz	WWNOYJQYXJMTAV-WOPDTQHZSA-N	0	0	194.318	3.428	10	0		AGAERN
CC[C@@H](C)C[C@@]1(O)CCC(C)(C)C1	87773246	574028663	/nfs/dbraw/zinc/02/86/63/574028663.db2.gz	SVVXHJUTCZHGEG-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)c1ccc(NCCF)cc1	87774610	574028692	/nfs/dbraw/zinc/02/86/92/574028692.db2.gz	VZOGKGZKNSZFEQ-UHFFFAOYSA-N	0	0	181.254	3.191	10	0		AGAERN
CC1(C)CC[C@@](O)(C2CCCC2)C1	87773175	574028728	/nfs/dbraw/zinc/02/87/28/574028728.db2.gz	AHJUZMWTZUSFLA-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1ccc(Cl)cc1NCCF	87774534	574028729	/nfs/dbraw/zinc/02/87/29/574028729.db2.gz	IHDPIGRXSJPYTF-UHFFFAOYSA-N	0	0	187.645	3.030	10	0		AGAERN
CC[C@H](C)C[C@]1(O)CCC(C)(C)C1	87773245	574028843	/nfs/dbraw/zinc/02/88/43/574028843.db2.gz	SVVXHJUTCZHGEG-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)CC[C@]1(O)CCC(C)(C)C1	87773154	574028853	/nfs/dbraw/zinc/02/88/53/574028853.db2.gz	IOUKSUZBFGZIOA-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)c1ccccc1NCCF	87774591	574030010	/nfs/dbraw/zinc/03/00/10/574030010.db2.gz	YVQYDBKKTJXBHU-UHFFFAOYSA-N	0	0	181.254	3.191	10	0		AGAERN
CC1(C)CC[C@](O)(C2CCCC2)C1	87773174	574029972	/nfs/dbraw/zinc/02/99/72/574029972.db2.gz	AHJUZMWTZUSFLA-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(C)(C)c1ccc(NCCF)cc1	87774576	574029979	/nfs/dbraw/zinc/02/99/79/574029979.db2.gz	JCOZALNXRBLGIT-UHFFFAOYSA-N	0	0	195.281	3.366	10	0		AGAERN
CC[C@@H](C)C[C@]1(O)CCC(C)(C)C1	87773244	574030045	/nfs/dbraw/zinc/03/00/45/574030045.db2.gz	SVVXHJUTCZHGEG-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@@]1(O)CCC(C)(C)C1	87773199	574030116	/nfs/dbraw/zinc/03/01/16/574030116.db2.gz	RCRLSFCSQNGKTE-LLVKDONJSA-N	0	0	170.296	3.118	10	0		AGAERN
Cc1cccc(Cl)c1NCCF	87775352	574030669	/nfs/dbraw/zinc/03/06/69/574030669.db2.gz	OWKLJZJUHCJRIO-UHFFFAOYSA-N	0	0	187.645	3.030	10	0		AGAERN
FCCNc1ccc2ccccc2c1	87774757	574030771	/nfs/dbraw/zinc/03/07/71/574030771.db2.gz	FZGBBPAZXDABNY-UHFFFAOYSA-N	0	0	189.233	3.221	10	0		AGAERN
CCC(CC)C[C@@H](CC)[C@H](C)O	128284970	574030964	/nfs/dbraw/zinc/03/09/64/574030964.db2.gz	BPBGTUTYDIWBMX-GXSJLCMTSA-N	0	0	172.312	3.220	10	0		AGAERN
FCCNc1ccc2sccc2c1	87775300	574031483	/nfs/dbraw/zinc/03/14/83/574031483.db2.gz	LGRZSWJJDQWWGE-UHFFFAOYSA-N	0	0	195.262	3.283	10	0		AGAERN
Cc1nccc2c(Cl)cccc12	223781666	574035858	/nfs/dbraw/zinc/03/58/58/574035858.db2.gz	YLCUCUVNNAXGGM-UHFFFAOYSA-N	0	0	177.634	3.197	10	0		AGAERN
CC1=C(C)C[C@@]2(CCCC2=O)CC1	143843029	574036079	/nfs/dbraw/zinc/03/60/79/574036079.db2.gz	WKKUQVUSBCCZHA-GFCCVEGCSA-N	0	0	178.275	3.246	10	0		AGAERN
CCC(C)(C)C(=O)C[C@@H]1CC[C@H]2C[C@@H]12	716961024	574036165	/nfs/dbraw/zinc/03/61/65/574036165.db2.gz	XHOKJEXFIKSLNF-GARJFASQSA-N	0	0	194.318	3.428	10	0		AGAERN
CCCc1nc(C)c(Cl)s1	259295610	574042344	/nfs/dbraw/zinc/04/23/44/574042344.db2.gz	MXIPJYVWGANESS-UHFFFAOYSA-N	0	0	175.684	3.057	10	0		AGAERN
Cc1ccc(C)c(C(F)F)c1	112731873	574042647	/nfs/dbraw/zinc/04/26/47/574042647.db2.gz	UYOVRXNZPFORLB-UHFFFAOYSA-N	0	0	156.175	3.241	10	0		AGAERN
CN1CCCCc2ccc(Cl)cc21	113251745	574046962	/nfs/dbraw/zinc/04/69/62/574046962.db2.gz	HRNVUIVZWMFQRA-UHFFFAOYSA-N	0	0	195.693	3.113	10	0		AGAERN
C=Cc1cc(C(C)(C)C)ccn1	113069239	574045335	/nfs/dbraw/zinc/04/53/35/574045335.db2.gz	VQBSYYXWSMMYJL-UHFFFAOYSA-N	0	0	161.248	3.022	10	0		AGAERN
CCC(CC)COc1ccccc1O	113067878	574045405	/nfs/dbraw/zinc/04/54/05/574045405.db2.gz	PHJHHOZKDNXAAZ-UHFFFAOYSA-N	0	0	194.274	3.207	10	0		AGAERN
C/C(=C/C[C@@H]1CC[C@@H](C)C1(C)C)CO	113147547	574045658	/nfs/dbraw/zinc/04/56/58/574045658.db2.gz	WNFFALOIJUMLCA-XRHVUQDBSA-N	0	0	196.334	3.387	10	0		AGAERN
Fc1cnc(-c2cccs2)s1	113222867	574046799	/nfs/dbraw/zinc/04/67/99/574046799.db2.gz	FNDLTRFWGSSHQP-UHFFFAOYSA-N	0	0	185.248	3.011	10	0		AGAERN
COc1ccc2cc(C)sc2c1	113205894	574046805	/nfs/dbraw/zinc/04/68/05/574046805.db2.gz	AXISSHQKGFHKRO-UHFFFAOYSA-N	0	0	178.256	3.218	10	0		AGAERN
C/C(=C/C[C@@H]1CC[C@H](C)C1(C)C)CO	113147550	574045965	/nfs/dbraw/zinc/04/59/65/574045965.db2.gz	WNFFALOIJUMLCA-JUYDSFNJSA-N	0	0	196.334	3.387	10	0		AGAERN
CC[C@@H](CO)C[C@H](C)CC(C)C	224168908	574046003	/nfs/dbraw/zinc/04/60/03/574046003.db2.gz	NHSUHRQJDOURGT-GHMZBOCLSA-N	0	0	172.312	3.077	10	0		AGAERN
CC1=CCC(C)=C1c1ccccc1N	113068002	574046018	/nfs/dbraw/zinc/04/60/18/574046018.db2.gz	VEMHYRVMGSKMDS-UHFFFAOYSA-N	0	0	185.270	3.392	10	0		AGAERN
CC[C@H](C)Sc1cccc(NC)n1	87849796	574046810	/nfs/dbraw/zinc/04/68/10/574046810.db2.gz	WPWCIDWEIPVUGI-QMMMGPOBSA-N	0	0	196.319	3.014	10	0		AGAERN
Cc1ccc(C)c(SC(C)(C)O)c1	259299908	574046398	/nfs/dbraw/zinc/04/63/98/574046398.db2.gz	UHPDLCXDNAWGMH-UHFFFAOYSA-N	0	0	196.315	3.124	10	0		AGAERN
Cc1cc(F)ccc1C(C)C	113079540	574046439	/nfs/dbraw/zinc/04/64/39/574046439.db2.gz	LJCXKMJVDSCHOA-UHFFFAOYSA-N	0	0	152.212	3.258	10	0		AGAERN
CC[C@@H](C)Sc1cccc(NC)n1	87849795	574046691	/nfs/dbraw/zinc/04/66/91/574046691.db2.gz	WPWCIDWEIPVUGI-MRVPVSSYSA-N	0	0	196.319	3.014	10	0		AGAERN
CCNc1cccc(SC(C)C)n1	87850827	574047062	/nfs/dbraw/zinc/04/70/62/574047062.db2.gz	VWWQFLFBNGUQIO-UHFFFAOYSA-N	0	0	196.319	3.014	10	0		AGAERN
Cc1cc(Cl)c(Cl)c(C)c1O	113226018	574047191	/nfs/dbraw/zinc/04/71/91/574047191.db2.gz	RQVOAMHBQNYZBO-UHFFFAOYSA-N	0	0	191.057	3.316	10	0		AGAERN
c1ccc2c(c1)N=C1CCCC[C@@H]12	113207753	574047349	/nfs/dbraw/zinc/04/73/49/574047349.db2.gz	KPBVXYFKWJANIL-SNVBAGLBSA-N	0	0	171.243	3.430	10	0		AGAERN
CC1=C(CC[C@H](C)O)C(C)(C)CC=C1	1850337	574411561	/nfs/dbraw/zinc/41/15/61/574411561.db2.gz	WPGXAVCJKGSOBD-NSHDSACASA-N	0	0	194.318	3.450	10	0	endogenous,in-man	AGAERN
CC1=C(CC[C@@H](C)O)C(C)(C)CC=C1	1850336	574411575	/nfs/dbraw/zinc/41/15/75/574411575.db2.gz	WPGXAVCJKGSOBD-LLVKDONJSA-N	0	0	194.318	3.450	10	0	endogenous,in-man	AGAERN
CC/C=C\CCCCOC(=O)CC	14616892	574413570	/nfs/dbraw/zinc/41/35/70/574413570.db2.gz	LWYSNOFRZXMWJC-WAYWQWQTSA-N	0	0	184.279	3.076	10	0	endogenous,in-man	AGAERN
CC(C)=CCC[C@H](C)[C@@H]1OC[C@H](C)O1	83409148	574416618	/nfs/dbraw/zinc/41/66/18/574416618.db2.gz	UVCDCGGGCGCIRU-SDDRHHMPSA-N	0	0	198.306	3.130	10	0	endogenous,in-man	AGAERN
CC(C)=CCC[C@H](C)[C@H]1OC[C@H](C)O1	83409143	574416626	/nfs/dbraw/zinc/41/66/26/574416626.db2.gz	UVCDCGGGCGCIRU-SRVKXCTJSA-N	0	0	198.306	3.130	10	0	endogenous,in-man	AGAERN
C=Cc1ccccc1OCCC	35975625	486717174	/nfs/dbraw/zinc/71/71/74/486717174.db2.gz	QYZIPGOBTXRFSV-UHFFFAOYSA-N	0	0	162.232	3.118	10	0		AGAERN
CC(C)=CCOc1cccc(F)c1F	671164001	486742863	/nfs/dbraw/zinc/74/28/63/486742863.db2.gz	FAKKMNSYQNTTFI-UHFFFAOYSA-N	0	0	198.212	3.310	10	0		AGAERN
CCCN(CC)C(=O)CC[C@H](C)CC	671652774	486750611	/nfs/dbraw/zinc/75/06/11/486750611.db2.gz	FDEUHLXYTYCCHH-LLVKDONJSA-N	0	0	199.338	3.071	10	0		AGAERN
CCCN(CC)C(=O)CC[C@@H](C)CC	671652775	486750931	/nfs/dbraw/zinc/75/09/31/486750931.db2.gz	FDEUHLXYTYCCHH-NSHDSACASA-N	0	0	199.338	3.071	10	0		AGAERN
CC(C)c1nc(CCC(C)(C)C)no1	671670388	486752052	/nfs/dbraw/zinc/75/20/52/486752052.db2.gz	GPEPNBRFUBVMGP-UHFFFAOYSA-N	0	0	196.294	3.172	10	0		AGAERN
CCCc1nc(CCC(C)(C)C)no1	671670437	486752244	/nfs/dbraw/zinc/75/22/44/486752244.db2.gz	VJYXUECXAXLJMO-UHFFFAOYSA-N	0	0	196.294	3.001	10	0		AGAERN
CCCNc1nc([C@@H](C)CC)cs1	61714410	486762182	/nfs/dbraw/zinc/76/21/82/486762182.db2.gz	JWQMGUYIZIQBFD-QMMMGPOBSA-N	0	0	198.335	3.479	10	0		AGAERN
CC[C@H](C)c1csc(NC(C)C)n1	61714466	486762487	/nfs/dbraw/zinc/76/24/87/486762487.db2.gz	XBFOAMDDKISYMM-QMMMGPOBSA-N	0	0	198.335	3.477	10	0		AGAERN
CCCNc1nc([C@H](C)CC)cs1	61714411	486762321	/nfs/dbraw/zinc/76/23/21/486762321.db2.gz	JWQMGUYIZIQBFD-MRVPVSSYSA-N	0	0	198.335	3.479	10	0		AGAERN
Cc1noc(CCCCC(C)(C)C)n1	672249991	486763899	/nfs/dbraw/zinc/76/38/99/486763899.db2.gz	CSOIOGGRAZNQPL-UHFFFAOYSA-N	0	0	196.294	3.137	10	0		AGAERN
CCCCCC(=O)NC1(CC)CCC1	674507904	486805175	/nfs/dbraw/zinc/80/51/75/486805175.db2.gz	JMKJZFVRXBIEJU-UHFFFAOYSA-N	0	0	197.322	3.016	10	0		AGAERN
CCCCOc1ccc(OC)c(C)c1	674714825	486809707	/nfs/dbraw/zinc/80/97/07/486809707.db2.gz	HBUOWBBOBUFGGA-UHFFFAOYSA-N	0	0	194.274	3.183	10	0		AGAERN
CCN(CCF)c1cccc(C)c1C	675245386	486831694	/nfs/dbraw/zinc/83/16/94/486831694.db2.gz	BLWZIOKHQSONPG-UHFFFAOYSA-N	0	0	195.281	3.099	10	0		AGAERN
Cc1ccccc1N(CCF)C(C)C	675247034	486832002	/nfs/dbraw/zinc/83/20/02/486832002.db2.gz	AJXXFGJNNHTZJD-UHFFFAOYSA-N	0	0	195.281	3.179	10	0		AGAERN
Cc1cccc(N(CCF)C(C)C)c1	675248797	486832941	/nfs/dbraw/zinc/83/29/41/486832941.db2.gz	ZUVIYTOEJVMALM-UHFFFAOYSA-N	0	0	195.281	3.179	10	0		AGAERN
CC(C)N(CCF)c1ccc(F)cc1	675247177	486833142	/nfs/dbraw/zinc/83/31/42/486833142.db2.gz	UMXRYQQVRKSDQE-UHFFFAOYSA-N	0	0	199.244	3.010	10	0		AGAERN
Cc1cc(-c2ccccc2N)cs1	83446708	486836127	/nfs/dbraw/zinc/83/61/27/486836127.db2.gz	JHMBYGMDMGEVDR-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
Cc1cc(C)cc(N(C)CCCF)c1	675885130	486850706	/nfs/dbraw/zinc/85/07/06/486850706.db2.gz	ICXBHJQMOWWJGQ-UHFFFAOYSA-N	0	0	195.281	3.099	10	0		AGAERN
CCN(CCCF)c1ccccc1C	675952913	486853800	/nfs/dbraw/zinc/85/38/00/486853800.db2.gz	HBCFLGDQDNWMLI-UHFFFAOYSA-N	0	0	195.281	3.181	10	0		AGAERN
CC(C)(C)c1ccn(C2CCCC2)n1	85020311	486863377	/nfs/dbraw/zinc/86/33/77/486863377.db2.gz	BMQKPLBSAHCPOP-UHFFFAOYSA-N	0	0	192.306	3.296	10	0		AGAERN
CCCCSc1ccoc1C	113802245	486924671	/nfs/dbraw/zinc/92/46/71/486924671.db2.gz	COAHVKJXXAMZOX-UHFFFAOYSA-N	0	0	170.277	3.480	10	0		AGAERN
Fc1ccc(SC2CCC2)cc1	114301058	486924824	/nfs/dbraw/zinc/92/48/24/486924824.db2.gz	FYHHJDWLIFELAG-UHFFFAOYSA-N	0	0	182.263	3.470	10	0		AGAERN
CC(C)COCCSCC(C)C	146363794	486952529	/nfs/dbraw/zinc/95/25/29/486952529.db2.gz	FNKKYDIWJUJQEU-UHFFFAOYSA-N	0	0	190.352	3.048	10	0		AGAERN
CSCCCSCC(C)C	147499402	486956375	/nfs/dbraw/zinc/95/63/75/486956375.db2.gz	HEKXUJYJTSFBRK-UHFFFAOYSA-N	0	0	178.366	3.129	10	0		AGAERN
CSC[C@H]1CCc2ccccc21	147764615	486957175	/nfs/dbraw/zinc/95/71/75/486957175.db2.gz	RCZOECLCZWUZLJ-SNVBAGLBSA-N	0	0	178.300	3.079	10	0		AGAERN
Fc1cc(F)cc(OC2CCCC2)c1	680522948	486986974	/nfs/dbraw/zinc/98/69/74/486986974.db2.gz	FOEAEIYIYGNYPG-UHFFFAOYSA-N	0	0	198.212	3.286	10	0		AGAERN
CC(C)c1noc(/C=C/C(C)(C)C)n1	680653139	486990079	/nfs/dbraw/zinc/99/00/79/486990079.db2.gz	DPXWJZVYLCGLRP-VOTSOKGWSA-N	0	0	194.278	3.252	10	0		AGAERN
CC(C)c1noc(/C=C\C(C)(C)C)n1	680653138	486990257	/nfs/dbraw/zinc/99/02/57/486990257.db2.gz	DPXWJZVYLCGLRP-SREVYHEPSA-N	0	0	194.278	3.252	10	0		AGAERN
CCCCCc1nc(C2CCC2)no1	680690538	486991874	/nfs/dbraw/zinc/99/18/74/486991874.db2.gz	DDQJYVXXLDHWTK-UHFFFAOYSA-N	0	0	194.278	3.070	10	0		AGAERN
CCCc1nc([C@H](C)C(C)(C)C)no1	680756334	486992307	/nfs/dbraw/zinc/99/23/07/486992307.db2.gz	GFGSGNRJPAFQSL-QMMMGPOBSA-N	0	0	196.294	3.172	10	0		AGAERN
CCCc1nc([C@@H](C)C(C)(C)C)no1	680756332	486992732	/nfs/dbraw/zinc/99/27/32/486992732.db2.gz	GFGSGNRJPAFQSL-MRVPVSSYSA-N	0	0	196.294	3.172	10	0		AGAERN
CC[C@H](C)c1nc([C@H](C)C2CC2)no1	680791486	486993217	/nfs/dbraw/zinc/99/32/17/486993217.db2.gz	QRKZUYGELUZNGU-JGVFFNPUSA-N	0	0	194.278	3.097	10	0		AGAERN
CC[C@H](C)c1nc([C@@H](C)C2CC2)no1	680791488	486993453	/nfs/dbraw/zinc/99/34/53/486993453.db2.gz	QRKZUYGELUZNGU-YUMQZZPRSA-N	0	0	194.278	3.097	10	0		AGAERN
CC[C@@H](C)c1nc([C@H](C)C2CC2)no1	680791485	486993591	/nfs/dbraw/zinc/99/35/91/486993591.db2.gz	QRKZUYGELUZNGU-HTQZYQBOSA-N	0	0	194.278	3.097	10	0		AGAERN
CC[C@@H](C)c1nc([C@@H](C)C2CC2)no1	680791487	486993614	/nfs/dbraw/zinc/99/36/14/486993614.db2.gz	QRKZUYGELUZNGU-SFYZADRCSA-N	0	0	194.278	3.097	10	0		AGAERN
CC(C)C[C@H](C)c1nc(C2CC2)no1	680882596	486996822	/nfs/dbraw/zinc/99/68/22/486996822.db2.gz	RPOADYATZACYJI-QMMMGPOBSA-N	0	0	194.278	3.097	10	0		AGAERN
CC(C)C[C@@H](C)c1nc(C2CC2)no1	680882460	486996864	/nfs/dbraw/zinc/99/68/64/486996864.db2.gz	RPOADYATZACYJI-MRVPVSSYSA-N	0	0	194.278	3.097	10	0		AGAERN
CC/C=C\CCn1ccnc1C(C)C	681003829	487003745	/nfs/dbraw/zinc/00/37/45/487003745.db2.gz	GRVRWMUKBHJFFV-WAYWQWQTSA-N	0	0	192.306	3.363	10	0		AGAERN
CC/C=C/CCn1ccnc1C(C)C	681003828	487003932	/nfs/dbraw/zinc/00/39/32/487003932.db2.gz	GRVRWMUKBHJFFV-AATRIKPKSA-N	0	0	192.306	3.363	10	0		AGAERN
CC/C=C\CCOc1ccc(C)nc1	681093884	487008282	/nfs/dbraw/zinc/00/82/82/487008282.db2.gz	LVUPIBPIUZZITC-PLNGDYQASA-N	0	0	191.274	3.125	10	0		AGAERN
CC/C=C/CCOc1cccnc1C	681093833	487008390	/nfs/dbraw/zinc/00/83/90/487008390.db2.gz	IAZMMAKMJDGGIR-SNAWJCMRSA-N	0	0	191.274	3.125	10	0		AGAERN
CC/C=C\CCOc1cccnc1C	681093832	487008534	/nfs/dbraw/zinc/00/85/34/487008534.db2.gz	IAZMMAKMJDGGIR-PLNGDYQASA-N	0	0	191.274	3.125	10	0		AGAERN
CC/C=C/CCOc1cccc(C)n1	681093663	487008544	/nfs/dbraw/zinc/00/85/44/487008544.db2.gz	GGPWOQHQISCACR-SNAWJCMRSA-N	0	0	191.274	3.125	10	0		AGAERN
CC/C=C/CCOc1ccc(C)nc1	681093885	487008591	/nfs/dbraw/zinc/00/85/91/487008591.db2.gz	LVUPIBPIUZZITC-SNAWJCMRSA-N	0	0	191.274	3.125	10	0		AGAERN
CC/C=C\CCOc1cccc(C)n1	681093661	487008632	/nfs/dbraw/zinc/00/86/32/487008632.db2.gz	GGPWOQHQISCACR-PLNGDYQASA-N	0	0	191.274	3.125	10	0		AGAERN
C[Si](C)(C)[C@@H]1CC=CCC1	196499499	487011343	/nfs/dbraw/zinc/01/13/43/487011343.db2.gz	UGPGYPOVVOHBRO-SECBINFHSA-N	0	0	154.329	3.435	10	0		AGAERN
C[Si](C)(C)[C@H]1CC=CCC1	196499485	487011377	/nfs/dbraw/zinc/01/13/77/487011377.db2.gz	UGPGYPOVVOHBRO-VIFPVBQESA-N	0	0	154.329	3.435	10	0		AGAERN
C[C@@H]1CC[C@@H](Sc2ccccc2)O1	196710247	487012488	/nfs/dbraw/zinc/01/24/88/487012488.db2.gz	VONXCPDVTDBMGG-MWLCHTKSSA-N	0	0	194.299	3.304	10	0		AGAERN
C[C@H]1CC[C@H](Sc2ccccc2)O1	196710237	487012542	/nfs/dbraw/zinc/01/25/42/487012542.db2.gz	VONXCPDVTDBMGG-ONGXEEELSA-N	0	0	194.299	3.304	10	0		AGAERN
C[C@@H]1CC[C@H](Sc2ccccc2)O1	196710228	487012554	/nfs/dbraw/zinc/01/25/54/487012554.db2.gz	VONXCPDVTDBMGG-KOLCDFICSA-N	0	0	194.299	3.304	10	0		AGAERN
CCC/C=C\c1ccccc1O	199161404	487015158	/nfs/dbraw/zinc/01/51/58/487015158.db2.gz	OVVYXESXYJSZFE-DAXSKMNVSA-N	0	0	162.232	3.206	10	0		AGAERN
C=C/C=C\c1cccc(C)c1	199155817	487015183	/nfs/dbraw/zinc/01/51/83/487015183.db2.gz	IFFZIWFIIZSRQE-DAXSKMNVSA-N	0	0	144.217	3.194	10	0		AGAERN
Cc1ccc2ncc(Cl)cc2c1	200827377	487016841	/nfs/dbraw/zinc/01/68/41/487016841.db2.gz	JZLFHUZWDMPHLO-UHFFFAOYSA-N	0	0	177.634	3.197	10	0		AGAERN
c1cn(CCC2CCCCCC2)cn1	201572268	487017167	/nfs/dbraw/zinc/01/71/67/487017167.db2.gz	ASUFHNPBGGQRKM-UHFFFAOYSA-N	0	0	192.306	3.244	10	0		AGAERN
CC(C)C[C@H](C)c1nc(C(C)C)no1	681359959	487018700	/nfs/dbraw/zinc/01/87/00/487018700.db2.gz	FIEISHBWVSLFTA-VIFPVBQESA-N	0	0	196.294	3.343	10	0		AGAERN
CCc1noc([C@@H](C)CC(C)(C)C)n1	681359339	487018712	/nfs/dbraw/zinc/01/87/12/487018712.db2.gz	BWSJASBCZKITCZ-QMMMGPOBSA-N	0	0	196.294	3.172	10	0		AGAERN
CC(C)C[C@@H](C)c1nc(C(C)C)no1	681359958	487018850	/nfs/dbraw/zinc/01/88/50/487018850.db2.gz	FIEISHBWVSLFTA-SECBINFHSA-N	0	0	196.294	3.343	10	0		AGAERN
CCc1noc([C@H](C)CC(C)(C)C)n1	681359338	487018948	/nfs/dbraw/zinc/01/89/48/487018948.db2.gz	BWSJASBCZKITCZ-MRVPVSSYSA-N	0	0	196.294	3.172	10	0		AGAERN
c1ccc2oc([C@H]3CCCO3)cc2c1	205022055	487019850	/nfs/dbraw/zinc/01/98/50/487019850.db2.gz	YYXAMZIQDGSHJU-LLVKDONJSA-N	0	0	188.226	3.284	10	0		AGAERN
c1ccc2oc([C@@H]3CCCO3)cc2c1	205022032	487019905	/nfs/dbraw/zinc/01/99/05/487019905.db2.gz	YYXAMZIQDGSHJU-NSHDSACASA-N	0	0	188.226	3.284	10	0		AGAERN
OCCC/C=C/c1ccc(Cl)cc1	205025790	487019921	/nfs/dbraw/zinc/01/99/21/487019921.db2.gz	VHBZYRIOUWAXDP-DUXPYHPUSA-N	0	0	196.677	3.126	10	0		AGAERN
Cc1cccc2nc3c(c(C)c12)CCC3	681944893	487039570	/nfs/dbraw/zinc/03/95/70/487039570.db2.gz	BUPNXGBEHUVKHU-UHFFFAOYSA-N	0	0	197.281	3.340	10	0		AGAERN
CCCC[C@@H](CC)C(=O)N(C)C(C)C	224360568	487039807	/nfs/dbraw/zinc/03/98/07/487039807.db2.gz	ARWZFLZNFCPWQP-LLVKDONJSA-N	0	0	199.338	3.070	10	0		AGAERN
CCCC[C@H](CC)C(=O)N(C)C(C)C	224360620	487040114	/nfs/dbraw/zinc/04/01/14/487040114.db2.gz	ARWZFLZNFCPWQP-NSHDSACASA-N	0	0	199.338	3.070	10	0		AGAERN
Cc1ccc(OCCC(C)(C)C)cn1	682154109	487048212	/nfs/dbraw/zinc/04/82/12/487048212.db2.gz	SMABXORNRYOMPM-UHFFFAOYSA-N	0	0	193.290	3.205	10	0		AGAERN
CCCCOc1ccc(C)nc1CC	682706754	487067256	/nfs/dbraw/zinc/06/72/56/487067256.db2.gz	FRQBGFNGRHLDBZ-UHFFFAOYSA-N	0	0	193.290	3.131	10	0		AGAERN
CC[C@@H](C)CC(=O)NC(C)(CC)CC	682900266	487074039	/nfs/dbraw/zinc/07/40/39/487074039.db2.gz	XKHLVFLBDILMBK-SNVBAGLBSA-N	0	0	199.338	3.118	10	0		AGAERN
CC[C@H](C)CC(=O)NC(C)(CC)CC	682900265	487074246	/nfs/dbraw/zinc/07/42/46/487074246.db2.gz	XKHLVFLBDILMBK-JTQLQIEISA-N	0	0	199.338	3.118	10	0		AGAERN
Cc1ccc(OCCCC(C)C)cn1	683329867	487088083	/nfs/dbraw/zinc/08/80/83/487088083.db2.gz	ABQBDBMHHYYYLN-UHFFFAOYSA-N	0	0	193.290	3.205	10	0		AGAERN
CCCC(C)(C)CC(=O)NC(C)(C)C	683728940	487095645	/nfs/dbraw/zinc/09/56/45/487095645.db2.gz	NEDOXPIONONUGA-UHFFFAOYSA-N	0	0	199.338	3.118	10	0		AGAERN
CN(CC1(C)CCC1)c1ccccc1	683696768	487094607	/nfs/dbraw/zinc/09/46/07/487094607.db2.gz	VJQVCHLQHZWJER-UHFFFAOYSA-N	0	0	189.302	3.313	10	0		AGAERN
CCCC(C)(C)CC(=O)N(CC)CC	683728717	487095433	/nfs/dbraw/zinc/09/54/33/487095433.db2.gz	ISKIGDHXDWPIQT-UHFFFAOYSA-N	0	0	199.338	3.071	10	0		AGAERN
CCCC(C)(C)CC(=O)N[C@@H](C)CC	683727809	487095452	/nfs/dbraw/zinc/09/54/52/487095452.db2.gz	HDHXAUTXEMBMNE-JTQLQIEISA-N	0	0	199.338	3.118	10	0		AGAERN
CCCCNC(=O)CC(C)(C)CCC	683729036	487095821	/nfs/dbraw/zinc/09/58/21/487095821.db2.gz	TYHAZORZEXCWGF-UHFFFAOYSA-N	0	0	199.338	3.119	10	0		AGAERN
CCCC(C)(C)CC(=O)N(C)C(C)C	683732981	487095851	/nfs/dbraw/zinc/09/58/51/487095851.db2.gz	PRTPRDUVSGBCNG-UHFFFAOYSA-N	0	0	199.338	3.070	10	0		AGAERN
CCCC(C)(C)CC(=O)N[C@H](C)CC	683727810	487095914	/nfs/dbraw/zinc/09/59/14/487095914.db2.gz	HDHXAUTXEMBMNE-SNVBAGLBSA-N	0	0	199.338	3.118	10	0		AGAERN
CCCN(C)C(=O)CC(C)(C)CCC	683734993	487095971	/nfs/dbraw/zinc/09/59/71/487095971.db2.gz	MSZQYRLWRNSAKU-UHFFFAOYSA-N	0	0	199.338	3.071	10	0		AGAERN
CCCN(C)C(=O)[C@@](C)(CC)CCC	684418480	487120419	/nfs/dbraw/zinc/12/04/19/487120419.db2.gz	GYOVLYMOMKUAMM-LBPRGKRZSA-N	0	0	199.338	3.071	10	0		AGAERN
CCC(CC)C(=O)NC(C)(CC)CC	684163781	487109972	/nfs/dbraw/zinc/10/99/72/487109972.db2.gz	ODXKDIKQSSBIAD-UHFFFAOYSA-N	0	0	199.338	3.118	10	0		AGAERN
c1ccc(NC[C@H]2C[C@@H]3C[C@@H]3C2)cc1	250544889	487113654	/nfs/dbraw/zinc/11/36/54/487113654.db2.gz	ZBBIHKDGPXBDPQ-ZSBIGDGJSA-N	0	0	187.286	3.145	10	0		AGAERN
CCC[C@](C)(CC)C(=O)N(C)C(C)C	684377728	487119768	/nfs/dbraw/zinc/11/97/68/487119768.db2.gz	FTKFBVWNBHAONF-LBPRGKRZSA-N	0	0	199.338	3.070	10	0		AGAERN
CCC[C@@](C)(CC)C(=O)N(C)C(C)C	684377726	487119823	/nfs/dbraw/zinc/11/98/23/487119823.db2.gz	FTKFBVWNBHAONF-GFCCVEGCSA-N	0	0	199.338	3.070	10	0		AGAERN
CCCN(C)C(=O)[C@](C)(CC)CCC	684418479	487121302	/nfs/dbraw/zinc/12/13/02/487121302.db2.gz	GYOVLYMOMKUAMM-GFCCVEGCSA-N	0	0	199.338	3.071	10	0		AGAERN
CC(C)c1ccccc1N(C)CCF	685057001	487142846	/nfs/dbraw/zinc/14/28/46/487142846.db2.gz	KLJUWCJNMPRRDA-UHFFFAOYSA-N	0	0	195.281	3.216	10	0		AGAERN
FC1CN(CCC2CCCCCC2)C1	685427326	487144557	/nfs/dbraw/zinc/14/45/57/487144557.db2.gz	VXQZYGHWQZSULT-UHFFFAOYSA-N	0	0	199.313	3.001	10	0		AGAERN
FC1CN(CCCC2CCCCC2)C1	685427261	487144787	/nfs/dbraw/zinc/14/47/87/487144787.db2.gz	KMECLTGLNKGFJE-UHFFFAOYSA-N	0	0	199.313	3.001	10	0		AGAERN
Cc1ccccc1N[C@H](C)[C@H]1C[C@H]1C	306319362	487153228	/nfs/dbraw/zinc/15/32/28/487153228.db2.gz	JTZLIFBUOACFLN-UTUOFQBUSA-N	0	0	189.302	3.451	10	0		AGAERN
Cc1ccccc1N[C@H](C)[C@H]1C[C@@H]1C	306319361	487153233	/nfs/dbraw/zinc/15/32/33/487153233.db2.gz	JTZLIFBUOACFLN-TUAOUCFPSA-N	0	0	189.302	3.451	10	0		AGAERN
Cc1ccccc1N[C@H](C)[C@@H]1C[C@@H]1C	306319360	487153252	/nfs/dbraw/zinc/15/32/52/487153252.db2.gz	JTZLIFBUOACFLN-QJPTWQEYSA-N	0	0	189.302	3.451	10	0		AGAERN
Cc1ccccc1N[C@H](C)[C@@H]1C[C@H]1C	306319359	487153264	/nfs/dbraw/zinc/15/32/64/487153264.db2.gz	JTZLIFBUOACFLN-IJLUTSLNSA-N	0	0	189.302	3.451	10	0		AGAERN
c1ccc(N[C@H]2CCC23CCC3)cc1	306331241	487153863	/nfs/dbraw/zinc/15/38/63/487153863.db2.gz	PYFQKIPCTNABHI-LBPRGKRZSA-N	0	0	187.286	3.431	10	0		AGAERN
c1ccc(N[C@@H]2CCC23CCC3)cc1	306331240	487153984	/nfs/dbraw/zinc/15/39/84/487153984.db2.gz	PYFQKIPCTNABHI-GFCCVEGCSA-N	0	0	187.286	3.431	10	0		AGAERN
C[C@H]1[C@H](C)C[C@H]1Nc1ccc(F)cc1	306342724	487154302	/nfs/dbraw/zinc/15/43/02/487154302.db2.gz	LXCZXKFUQROACG-VDDIYKPWSA-N	0	0	193.265	3.282	10	0		AGAERN
C[C@@H]1[C@@H](Nc2ccc(F)cc2)C[C@H]1C	306342722	487154391	/nfs/dbraw/zinc/15/43/91/487154391.db2.gz	LXCZXKFUQROACG-PTRXPTGYSA-N	0	0	193.265	3.282	10	0		AGAERN
C[C@@H]1C[C@@H](Nc2ccc(F)cc2)[C@@H]1C	306342715	487154482	/nfs/dbraw/zinc/15/44/82/487154482.db2.gz	LXCZXKFUQROACG-KBVBSXBZSA-N	0	0	193.265	3.282	10	0		AGAERN
C[C@@H]1C[C@H](Nc2ccc(F)cc2)[C@@H]1C	306342718	487154610	/nfs/dbraw/zinc/15/46/10/487154610.db2.gz	LXCZXKFUQROACG-LNLATYFQSA-N	0	0	193.265	3.282	10	0		AGAERN
Cc1ccc(N[C@H](C)[C@@H]2C[C@H]2C)cc1	306383412	487154954	/nfs/dbraw/zinc/15/49/54/487154954.db2.gz	YLCRZPJBJCHFEH-NQBHXWOUSA-N	0	0	189.302	3.451	10	0		AGAERN
Cc1ccc(N[C@H](C)[C@@H]2C[C@@H]2C)cc1	306383410	487154989	/nfs/dbraw/zinc/15/49/89/487154989.db2.gz	YLCRZPJBJCHFEH-DMDPSCGWSA-N	0	0	189.302	3.451	10	0		AGAERN
Cc1ccc(N[C@H](C)[C@H]2C[C@H]2C)cc1	306383413	487155070	/nfs/dbraw/zinc/15/50/70/487155070.db2.gz	YLCRZPJBJCHFEH-WZRBSPASSA-N	0	0	189.302	3.451	10	0		AGAERN
Cc1ccc(N[C@H](C)[C@H]2C[C@@H]2C)cc1	306383411	487155129	/nfs/dbraw/zinc/15/51/29/487155129.db2.gz	YLCRZPJBJCHFEH-LOWVWBTDSA-N	0	0	189.302	3.451	10	0		AGAERN
C[C@@H]1C[C@@H]1[C@@H](C)Nc1ccccc1F	306490033	487158543	/nfs/dbraw/zinc/15/85/43/487158543.db2.gz	ULQZYHPFPGVKNA-BBBLOLIVSA-N	0	0	193.265	3.282	10	0		AGAERN
C[C@H](Nc1ccccc1F)[C@@H]1C[C@H]1C	306490034	487158557	/nfs/dbraw/zinc/15/85/57/487158557.db2.gz	ULQZYHPFPGVKNA-KXUCPTDWSA-N	0	0	193.265	3.282	10	0		AGAERN
C[C@@H]1C[C@H]1[C@@H](C)Nc1ccccc1F	306490036	487158627	/nfs/dbraw/zinc/15/86/27/487158627.db2.gz	ULQZYHPFPGVKNA-OPRDCNLKSA-N	0	0	193.265	3.282	10	0		AGAERN
C[C@H](Nc1ccccc1F)[C@H]1C[C@H]1C	306490037	487158651	/nfs/dbraw/zinc/15/86/51/487158651.db2.gz	ULQZYHPFPGVKNA-UTLUCORTSA-N	0	0	193.265	3.282	10	0		AGAERN
CC(=O)c1ccsc1NCC(C)C	306996158	487171356	/nfs/dbraw/zinc/17/13/56/487171356.db2.gz	RWBYVAOIESGVJZ-UHFFFAOYSA-N	0	0	197.303	3.019	10	0		AGAERN
C[C@@H]1C[C@@H]1[C@@H](C)Nc1ccc(F)cc1	307033019	487172638	/nfs/dbraw/zinc/17/26/38/487172638.db2.gz	QWVNVCKGDPMQSR-LNLATYFQSA-N	0	0	193.265	3.282	10	0		AGAERN
C[C@@H]1C[C@H]1[C@@H](C)Nc1ccc(F)cc1	307033018	487172646	/nfs/dbraw/zinc/17/26/46/487172646.db2.gz	QWVNVCKGDPMQSR-KBVBSXBZSA-N	0	0	193.265	3.282	10	0		AGAERN
C[C@H](Nc1ccc(F)cc1)[C@H]1C[C@H]1C	307033020	487172784	/nfs/dbraw/zinc/17/27/84/487172784.db2.gz	QWVNVCKGDPMQSR-PTRXPTGYSA-N	0	0	193.265	3.282	10	0		AGAERN
C[C@H](Nc1ccc(F)cc1)[C@@H]1C[C@H]1C	307033021	487172791	/nfs/dbraw/zinc/17/27/91/487172791.db2.gz	QWVNVCKGDPMQSR-VDDIYKPWSA-N	0	0	193.265	3.282	10	0		AGAERN
Cc1nc(C2CC2)sc1C(C)C	307187431	487175320	/nfs/dbraw/zinc/17/53/20/487175320.db2.gz	VZFRGTVIDXZVAS-UHFFFAOYSA-N	0	0	181.304	3.452	10	0		AGAERN
Cc1csc(CC2CCCC2)n1	307230649	487177078	/nfs/dbraw/zinc/17/70/78/487177078.db2.gz	ANHFQVHUIRYPNJ-UHFFFAOYSA-N	0	0	181.304	3.184	10	0		AGAERN
CCCc1csc(COC(C)C)n1	395455019	487272822	/nfs/dbraw/zinc/27/28/22/487272822.db2.gz	GKGHYQYSMQPKEU-UHFFFAOYSA-N	0	0	199.319	3.021	10	0		AGAERN
CC(C)OCc1nc(C(C)C)cs1	395402439	487273062	/nfs/dbraw/zinc/27/30/62/487273062.db2.gz	FNLVXOPUKZQMGB-UHFFFAOYSA-N	0	0	199.319	3.192	10	0		AGAERN
C=C=CCCc1cccs1	584622413	487295202	/nfs/dbraw/zinc/29/52/02/487295202.db2.gz	UAIICWILYQMRHT-UHFFFAOYSA-N	0	0	150.246	3.022	10	0		AGAERN
CC(C)[C@@H](C)Sc1ccncc1	665686696	487313641	/nfs/dbraw/zinc/31/36/41/487313641.db2.gz	FRLPKEPQYUAPTG-SECBINFHSA-N	0	0	181.304	3.218	10	0		AGAERN
CC(C)[C@H](C)Sc1ccncc1	665686697	487313645	/nfs/dbraw/zinc/31/36/45/487313645.db2.gz	FRLPKEPQYUAPTG-VIFPVBQESA-N	0	0	181.304	3.218	10	0		AGAERN
CC(C)[C@H](C)Sc1ncccc1F	665687096	487314100	/nfs/dbraw/zinc/31/41/00/487314100.db2.gz	OLXJDOWCNOCOPC-QMMMGPOBSA-N	0	0	199.294	3.357	10	0		AGAERN
CC(C)[C@@H](C)Sc1ncccc1F	665687095	487314195	/nfs/dbraw/zinc/31/41/95/487314195.db2.gz	OLXJDOWCNOCOPC-MRVPVSSYSA-N	0	0	199.294	3.357	10	0		AGAERN
CCCSc1ccc2c(c1)CCO2	665688353	487314351	/nfs/dbraw/zinc/31/43/51/487314351.db2.gz	CIRMNPRFAZSPEK-UHFFFAOYSA-N	0	0	194.299	3.124	10	0		AGAERN
CCCCCc1nc(C(C)=O)cs1	668129500	487360126	/nfs/dbraw/zinc/36/01/26/487360126.db2.gz	OIAXQPNAHMLGGV-UHFFFAOYSA-N	0	0	197.303	3.078	10	0		AGAERN
O=C1CCC2(CCC2)c2ccccc21	757097330	582457294	/nfs/dbraw/zinc/45/72/94/582457294.db2.gz	MXQKTZRXSJTLTJ-UHFFFAOYSA-N	0	0	186.254	3.085	10	0		AGAERN
CCCCC(=O)c1nc(C)c(C)s1	757123407	582457958	/nfs/dbraw/zinc/45/79/58/582457958.db2.gz	JAWJJGRKVLKODR-UHFFFAOYSA-N	0	0	197.303	3.133	10	0		AGAERN
CCCN(C)c1cc2ccccc2[nH]1	757136019	582459583	/nfs/dbraw/zinc/45/95/83/582459583.db2.gz	KISRAYODMGWWJD-UHFFFAOYSA-N	0	0	188.274	3.014	10	0		AGAERN
CC(C)CNc1cc2ccccc2[nH]1	757136017	582460245	/nfs/dbraw/zinc/46/02/45/582460245.db2.gz	KHPRPDZTUQSMJP-UHFFFAOYSA-N	0	0	188.274	3.236	10	0		AGAERN
CCOC(=O)/C=C(\CC)C[C@@H](C)CC	757191948	582472007	/nfs/dbraw/zinc/47/20/07/582472007.db2.gz	RUSYRQKFPSJCBC-SPQRFVMMSA-N	0	0	198.306	3.322	10	0		AGAERN
CCOC(=O)/C=C1/CCC[C@H](CC)C1	757191433	582472032	/nfs/dbraw/zinc/47/20/32/582472032.db2.gz	PHGJGKNKXYJRTN-RGAIUGGKSA-N	0	0	196.290	3.076	10	0		AGAERN
CCOC(=O)/C=C1/CCC[C@@H](CC)C1	757191432	582472039	/nfs/dbraw/zinc/47/20/39/582472039.db2.gz	PHGJGKNKXYJRTN-QLWWJYNRSA-N	0	0	196.290	3.076	10	0		AGAERN
CCCCC(=O)OCCCCC1CC1	813180366	582474006	/nfs/dbraw/zinc/47/40/06/582474006.db2.gz	AXWKKRQPJRYZDB-UHFFFAOYSA-N	0	0	198.306	3.300	10	0		AGAERN
CCC/C=C\C(=O)O[C@@H]1CC[C@@H](C)C1	779263628	582476991	/nfs/dbraw/zinc/47/69/91/582476991.db2.gz	XTFXXGSITSJAIC-ADRPCIBZSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC/C=C\C(=O)O[C@@H]1CC[C@H](C)C1	779263630	582477061	/nfs/dbraw/zinc/47/70/61/582477061.db2.gz	XTFXXGSITSJAIC-TUISVCKWSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC/C=C/C(=O)O[C@@H]1CC[C@@H](C)C1	779263631	582477069	/nfs/dbraw/zinc/47/70/69/582477069.db2.gz	XTFXXGSITSJAIC-XIJCSBCJSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC/C=C/C(=O)O[C@@H]1CC[C@H](C)C1	779263629	582477171	/nfs/dbraw/zinc/47/71/71/582477171.db2.gz	XTFXXGSITSJAIC-PFDYWKIBSA-N	0	0	196.290	3.075	10	0		AGAERN
CCCC[C@@H](C)OC(=O)c1ccco1	223921402	582481463	/nfs/dbraw/zinc/48/14/63/582481463.db2.gz	JAGIFDWBZBGRGH-SECBINFHSA-N	0	0	196.246	3.015	10	0		AGAERN
CCCCCC(O)=CC(=O)[C@H](C)CC	388755172	582485929	/nfs/dbraw/zinc/48/59/29/582485929.db2.gz	YMQOXZSZZKYXJC-SNVBAGLBSA-N	0	0	198.306	3.141	10	0		AGAERN
CCCCCC(O)=CC(=O)[C@@H](C)CC	388755171	582486039	/nfs/dbraw/zinc/48/60/39/582486039.db2.gz	YMQOXZSZZKYXJC-JTQLQIEISA-N	0	0	198.306	3.141	10	0		AGAERN
Cc1ccc(F)cc1NCC1(F)CC1	306438808	582486348	/nfs/dbraw/zinc/48/63/48/582486348.db2.gz	ITJWHIDADGKIIK-UHFFFAOYSA-N	0	0	197.228	3.048	10	0		AGAERN
Cc1cc(NCC2(F)CC2)ccc1F	306656171	582487924	/nfs/dbraw/zinc/48/79/24/582487924.db2.gz	IYWJYARMCXCIGY-UHFFFAOYSA-N	0	0	197.228	3.048	10	0		AGAERN
CC1(CNc2ccc(F)cc2)CCC1	307549010	582488382	/nfs/dbraw/zinc/48/83/82/582488382.db2.gz	PAENLWZDMOPRLK-UHFFFAOYSA-N	0	0	193.265	3.428	10	0		AGAERN
CCCC(=O)OC1CCC(C)(C)CC1	145930033	582488745	/nfs/dbraw/zinc/48/87/45/582488745.db2.gz	TXJNQKKQKAVGGJ-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
Cc1sccc1-c1ccccn1	146583218	582488992	/nfs/dbraw/zinc/48/89/92/582488992.db2.gz	YNFJHBFNGGMUAS-UHFFFAOYSA-N	0	0	175.256	3.119	10	0		AGAERN
CCC[C@@H](C)C(=O)O[C@H](C)C(C)C	149008032	582489916	/nfs/dbraw/zinc/48/99/16/582489916.db2.gz	NXEGHQIJJBROTH-NXEZZACHSA-N	0	0	186.295	3.010	10	0		AGAERN
CC[C@H]1CCC(=O)C[C@@H]1C(C)(C)C	146862897	582497566	/nfs/dbraw/zinc/49/75/66/582497566.db2.gz	BJEBVUSFGWBOME-ONGXEEELSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H]1CCC(=O)C[C@@H]1C(C)(C)C	146862695	582497820	/nfs/dbraw/zinc/49/78/20/582497820.db2.gz	BJEBVUSFGWBOME-KOLCDFICSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H]1CCC(=O)C[C@H]1C(C)(C)C	146863097	582497862	/nfs/dbraw/zinc/49/78/62/582497862.db2.gz	BJEBVUSFGWBOME-MWLCHTKSSA-N	0	0	182.307	3.428	10	0		AGAERN
Fc1cc(Cl)cc2ccoc12	146862461	582497896	/nfs/dbraw/zinc/49/78/96/582497896.db2.gz	SHDZBCQOKHJZKG-UHFFFAOYSA-N	0	0	170.570	3.225	10	0		AGAERN
CC[C@H]1CCC(=O)C[C@H]1C(C)(C)C	146863291	582497929	/nfs/dbraw/zinc/49/79/29/582497929.db2.gz	BJEBVUSFGWBOME-GXSJLCMTSA-N	0	0	182.307	3.428	10	0		AGAERN
Cc1cscc1-c1ccccn1	146923992	582499109	/nfs/dbraw/zinc/49/91/09/582499109.db2.gz	DYJSOWQOQAWQII-UHFFFAOYSA-N	0	0	175.256	3.119	10	0		AGAERN
C[C@@H]1C[C@H]1COC(=O)CCC(C)(C)C	739161337	582504195	/nfs/dbraw/zinc/50/41/95/582504195.db2.gz	OTHKBPWQLIHUCU-ZJUUUORDSA-N	0	0	198.306	3.012	10	0		AGAERN
C[C@H]1C[C@@H]1COC(=O)CCC(C)(C)C	739161333	582504301	/nfs/dbraw/zinc/50/43/01/582504301.db2.gz	OTHKBPWQLIHUCU-VHSXEESVSA-N	0	0	198.306	3.012	10	0		AGAERN
C[C@H]1C[C@H]1COC(=O)CCC(C)(C)C	739161331	582504554	/nfs/dbraw/zinc/50/45/54/582504554.db2.gz	OTHKBPWQLIHUCU-UWVGGRQHSA-N	0	0	198.306	3.012	10	0		AGAERN
C[C@@H]1C[C@@H]1COC(=O)CCC(C)(C)C	739161328	582504604	/nfs/dbraw/zinc/50/46/04/582504604.db2.gz	OTHKBPWQLIHUCU-NXEZZACHSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)(C)C(=O)OCC1=CCCCC1	219762286	582507012	/nfs/dbraw/zinc/50/70/12/582507012.db2.gz	FOZQTALNEWAIKA-UHFFFAOYSA-N	0	0	196.290	3.076	10	0		AGAERN
CC(C)n1cnc2cc(Cl)ccc21	40417335	582507520	/nfs/dbraw/zinc/50/75/20/582507520.db2.gz	CVIDRDRTTGJPTH-UHFFFAOYSA-N	0	0	194.665	3.271	10	0		AGAERN
CC/C=C/CCOC(=O)C(C)(C)CC	726859630	582511689	/nfs/dbraw/zinc/51/16/89/582511689.db2.gz	HADQPIMWWMXQQD-BQYQJAHWSA-N	0	0	198.306	3.322	10	0		AGAERN
CC/C=C\CCOC(=O)C(C)(C)CC	726859631	582511954	/nfs/dbraw/zinc/51/19/54/582511954.db2.gz	HADQPIMWWMXQQD-FPLPWBNLSA-N	0	0	198.306	3.322	10	0		AGAERN
CC(C)[C@@H](C)Oc1ccccc1F	306530059	582512525	/nfs/dbraw/zinc/51/25/25/582512525.db2.gz	CUFAGSFRNYSZNQ-SECBINFHSA-N	0	0	182.238	3.249	10	0		AGAERN
CC(C)[C@H](C)Oc1ccccc1F	306530060	582513180	/nfs/dbraw/zinc/51/31/80/582513180.db2.gz	CUFAGSFRNYSZNQ-VIFPVBQESA-N	0	0	182.238	3.249	10	0		AGAERN
CCCCCC(C)(C)C(=O)OCC	147294890	582513887	/nfs/dbraw/zinc/51/38/87/582513887.db2.gz	CANXZOKXONSDIB-UHFFFAOYSA-N	0	0	186.295	3.156	10	0		AGAERN
CC(C)(C)CC(=O)Oc1ccccc1	141231044	582522282	/nfs/dbraw/zinc/52/22/82/582522282.db2.gz	GZWLSFHZUIUOBB-UHFFFAOYSA-N	0	0	192.258	3.028	10	0		AGAERN
CCCCCC[C@@H](C)CC(=O)N(C)C	727676258	582530895	/nfs/dbraw/zinc/53/08/95/582530895.db2.gz	BDCLXAAGQCERLY-LLVKDONJSA-N	0	0	199.338	3.071	10	0		AGAERN
CCCCCC[C@H](C)CC(=O)N(C)C	727676259	582531114	/nfs/dbraw/zinc/53/11/14/582531114.db2.gz	BDCLXAAGQCERLY-NSHDSACASA-N	0	0	199.338	3.071	10	0		AGAERN
CCCC[C@@H](CC)C(=O)OC1CCC1	750738424	582535178	/nfs/dbraw/zinc/53/51/78/582535178.db2.gz	PNRIFNFTUSCYMV-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
CCCCOC(=O)/C=C(\C)C(C)(C)C	148048374	582534796	/nfs/dbraw/zinc/53/47/96/582534796.db2.gz	BXCFLXPLENURSC-MDZDMXLPSA-N	0	0	198.306	3.322	10	0		AGAERN
CCCC[C@H](CC)C(=O)OC1CCC1	750738423	582534899	/nfs/dbraw/zinc/53/48/99/582534899.db2.gz	PNRIFNFTUSCYMV-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
C/C=C(/C)C(=O)O[C@@H](C)CCCC	143097240	582536070	/nfs/dbraw/zinc/53/60/70/582536070.db2.gz	PLFAXMZOTWDECF-MBACFSSFSA-N	0	0	184.279	3.075	10	0		AGAERN
C/C=C(/C)C(=O)O[C@H](C)CCCC	143096814	582536102	/nfs/dbraw/zinc/53/61/02/582536102.db2.gz	PLFAXMZOTWDECF-ABRRARGCSA-N	0	0	184.279	3.075	10	0		AGAERN
C/C=C(\C)C(=O)O[C@@H](C)CCCC	143097430	582536168	/nfs/dbraw/zinc/53/61/68/582536168.db2.gz	PLFAXMZOTWDECF-ZKXNXJMVSA-N	0	0	184.279	3.075	10	0		AGAERN
C/C=C(\C)C(=O)O[C@@H](CC)CCC	144065868	582540524	/nfs/dbraw/zinc/54/05/24/582540524.db2.gz	PGRIJRPYKDZIPV-ZKXNXJMVSA-N	0	0	184.279	3.075	10	0		AGAERN
CC[C@H](C)CCC(=O)OC[C@@H]1C[C@@H]1C	796899683	582539040	/nfs/dbraw/zinc/53/90/40/582539040.db2.gz	OHNNZSVYAJYDOI-DCAQKATOSA-N	0	0	198.306	3.012	10	0		AGAERN
CC[C@H](C)CCC(=O)OC[C@@H]1C[C@H]1C	796899682	582539064	/nfs/dbraw/zinc/53/90/64/582539064.db2.gz	OHNNZSVYAJYDOI-AXFHLTTASA-N	0	0	198.306	3.012	10	0		AGAERN
CC[C@H](C)CCC(=O)OC[C@H]1C[C@H]1C	796899685	582539108	/nfs/dbraw/zinc/53/91/08/582539108.db2.gz	OHNNZSVYAJYDOI-HBNTYKKESA-N	0	0	198.306	3.012	10	0		AGAERN
CC[C@H](C)CCC(=O)OC[C@H]1C[C@@H]1C	796899684	582539136	/nfs/dbraw/zinc/53/91/36/582539136.db2.gz	OHNNZSVYAJYDOI-GARJFASQSA-N	0	0	198.306	3.012	10	0		AGAERN
C=CCCC[C@@H](C)OC(=O)CCC=C	144062616	582540444	/nfs/dbraw/zinc/54/04/44/582540444.db2.gz	CJOKGYYVWOAPON-LLVKDONJSA-N	0	0	196.290	3.241	10	0		AGAERN
C/C=C(\C)C(=O)O[C@H](CC)CCC	144065642	582540544	/nfs/dbraw/zinc/54/05/44/582540544.db2.gz	PGRIJRPYKDZIPV-OLKPEBQYSA-N	0	0	184.279	3.075	10	0		AGAERN
CCCCCN(C)c1ccccc1	6245953	582541776	/nfs/dbraw/zinc/54/17/76/582541776.db2.gz	DSPGUUQQLGSDSB-UHFFFAOYSA-N	0	0	177.291	3.313	10	0		AGAERN
c1csc(-c2cnc(C3CC3)o2)c1	527531229	582542216	/nfs/dbraw/zinc/54/22/16/582542216.db2.gz	ACHOTVLFHAFTCJ-UHFFFAOYSA-N	0	0	191.255	3.281	10	0		AGAERN
CC(C)c1ccc(-c2ncco2)cc1	145755962	582542287	/nfs/dbraw/zinc/54/22/87/582542287.db2.gz	TWSBRHRNEXJSLE-UHFFFAOYSA-N	0	0	187.242	3.465	10	0		AGAERN
C/C=C/C=C\C(=O)O[C@@H](C)CC(C)C	729081517	582543738	/nfs/dbraw/zinc/54/37/38/582543738.db2.gz	IFPHCLJZVIFQJE-XSNLPNCASA-N	0	0	196.290	3.097	10	0		AGAERN
C/C=C/C=C/C(=O)O[C@H](C)CC(C)C	729081511	582543859	/nfs/dbraw/zinc/54/38/59/582543859.db2.gz	IFPHCLJZVIFQJE-NDFPEFBHSA-N	0	0	196.290	3.097	10	0		AGAERN
CCCCCC[C@H](C)OC(=O)C1CC1	729079325	582543880	/nfs/dbraw/zinc/54/38/80/582543880.db2.gz	NGYUPNQNGHCWEA-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
CC[C@@H](C)OC(=O)C=C1CCCCC1	729076612	582543943	/nfs/dbraw/zinc/54/39/43/582543943.db2.gz	DFBCUYQEEIJESJ-SNVBAGLBSA-N	0	0	196.290	3.219	10	0		AGAERN
C/C=C/C=C\C(=O)O[C@H](C)CC(C)C	729081514	582543946	/nfs/dbraw/zinc/54/39/46/582543946.db2.gz	IFPHCLJZVIFQJE-XPJHWULBSA-N	0	0	196.290	3.097	10	0		AGAERN
C/C=C/C=C/C(=O)O[C@@H](C)CC(C)C	729081512	582543948	/nfs/dbraw/zinc/54/39/48/582543948.db2.gz	IFPHCLJZVIFQJE-NVNCAAMDSA-N	0	0	196.290	3.097	10	0		AGAERN
CC[C@H](C)OC(=O)C=C1CCCCC1	729076611	582543994	/nfs/dbraw/zinc/54/39/94/582543994.db2.gz	DFBCUYQEEIJESJ-JTQLQIEISA-N	0	0	196.290	3.219	10	0		AGAERN
CCC[C@@H](C)CC(=O)O[C@@H](C)C1CC1	729082938	582544003	/nfs/dbraw/zinc/54/40/03/582544003.db2.gz	ZQSLRDFRGPUVEQ-ZJUUUORDSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC/C(C)=C\C(=O)O[C@@H](C)C1CC1	729082195	582544004	/nfs/dbraw/zinc/54/40/04/582544004.db2.gz	OQXFHNPLZRHFCH-QROTZFDESA-N	0	0	196.290	3.075	10	0		AGAERN
CCCCCCC(=O)O[C@@H](C)C1CC1	729084613	582544065	/nfs/dbraw/zinc/54/40/65/582544065.db2.gz	XSEMFTWUNZIDFQ-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
CCC/C(C)=C/C(=O)O[C@@H](C)C1CC1	729082193	582544162	/nfs/dbraw/zinc/54/41/62/582544162.db2.gz	OQXFHNPLZRHFCH-DDXVTDLHSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC/C(C)=C\C(=O)O[C@H](C)C1CC1	729082194	582544168	/nfs/dbraw/zinc/54/41/68/582544168.db2.gz	OQXFHNPLZRHFCH-HSTULFTRSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC[C@H](C)CC(=O)O[C@@H](C)C1CC1	729082936	582544171	/nfs/dbraw/zinc/54/41/71/582544171.db2.gz	ZQSLRDFRGPUVEQ-UWVGGRQHSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC/C(C)=C/C(=O)O[C@H](C)C1CC1	729082192	582544176	/nfs/dbraw/zinc/54/41/76/582544176.db2.gz	OQXFHNPLZRHFCH-AAXQSMANSA-N	0	0	196.290	3.075	10	0		AGAERN
CCCCCC[C@@H](C)OC(=O)C1CC1	729079327	582544252	/nfs/dbraw/zinc/54/42/52/582544252.db2.gz	NGYUPNQNGHCWEA-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
CCCCCCC(=O)OC[C@H]1C[C@@H]1C	729087535	582544449	/nfs/dbraw/zinc/54/44/49/582544449.db2.gz	LUKJTVJBDQXHBA-WDEREUQCSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC[C@H](C)CC(=O)OC[C@@H]1C[C@@H]1C	729088498	582544461	/nfs/dbraw/zinc/54/44/61/582544461.db2.gz	XUELMDTZWYJWJC-DCAQKATOSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)(C)COC(=O)C1(C)CCCC1	202206685	582544522	/nfs/dbraw/zinc/54/45/22/582544522.db2.gz	IDRGRFYPUZIKBK-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC[C@H](C)CC(=O)OC[C@H]1C[C@H]1C	729088501	582544542	/nfs/dbraw/zinc/54/45/42/582544542.db2.gz	XUELMDTZWYJWJC-HBNTYKKESA-N	0	0	198.306	3.012	10	0		AGAERN
CCC[C@H](C)CC(=O)OC[C@H]1C[C@@H]1C	729088499	582544579	/nfs/dbraw/zinc/54/45/79/582544579.db2.gz	XUELMDTZWYJWJC-GARJFASQSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)(C)COC(=O)CC1CCCC1	729096125	582544600	/nfs/dbraw/zinc/54/46/00/582544600.db2.gz	LTHCMAASJYCROK-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC[C@H](C)CC(=O)OC[C@@H]1C[C@H]1C	729088496	582544641	/nfs/dbraw/zinc/54/46/41/582544641.db2.gz	XUELMDTZWYJWJC-AXFHLTTASA-N	0	0	198.306	3.012	10	0		AGAERN
CCC/C(C)=C/C(=O)OCC(C)(C)C	729096517	582544667	/nfs/dbraw/zinc/54/46/67/582544667.db2.gz	LLTGIUJMDAUAEB-CSKARUKUSA-N	0	0	198.306	3.322	10	0		AGAERN
CCCCCCC(=O)OC[C@H]1C[C@H]1C	729087530	582544728	/nfs/dbraw/zinc/54/47/28/582544728.db2.gz	LUKJTVJBDQXHBA-GHMZBOCLSA-N	0	0	198.306	3.156	10	0		AGAERN
C[C@@H](CC(=O)OCC(C)(C)C)C1CC1	729096474	582544758	/nfs/dbraw/zinc/54/47/58/582544758.db2.gz	JFEVHQUARCYCHS-VIFPVBQESA-N	0	0	198.306	3.012	10	0		AGAERN
CCCCCCC(=O)OC[C@@H]1C[C@H]1C	729087532	582544808	/nfs/dbraw/zinc/54/48/08/582544808.db2.gz	LUKJTVJBDQXHBA-MNOVXSKESA-N	0	0	198.306	3.156	10	0		AGAERN
CCC/C(C)=C\C(=O)OCC(C)(C)C	729096518	582544856	/nfs/dbraw/zinc/54/48/56/582544856.db2.gz	LLTGIUJMDAUAEB-NTMALXAHSA-N	0	0	198.306	3.322	10	0		AGAERN
C[C@H](CC(=O)OCC(C)(C)C)C1CC1	729096473	582544914	/nfs/dbraw/zinc/54/49/14/582544914.db2.gz	JFEVHQUARCYCHS-SECBINFHSA-N	0	0	198.306	3.012	10	0		AGAERN
CCCCCCC(=O)OC[C@@H]1C[C@@H]1C	729087533	582544970	/nfs/dbraw/zinc/54/49/70/582544970.db2.gz	LUKJTVJBDQXHBA-QWRGUYRKSA-N	0	0	198.306	3.156	10	0		AGAERN
CC(C)(C)COC(=O)C=C1CCCC1	729096691	582545020	/nfs/dbraw/zinc/54/50/20/582545020.db2.gz	VOYPRQAMEBISKI-UHFFFAOYSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC(=CC(=O)O[C@@H](C)CC)CC	148556037	582547595	/nfs/dbraw/zinc/54/75/95/582547595.db2.gz	CQWGPESJKCDLKC-VIFPVBQESA-N	0	0	184.279	3.075	10	0		AGAERN
CC(C)N1Cc2cccc(Cl)c2C1	148561686	582547653	/nfs/dbraw/zinc/54/76/53/582547653.db2.gz	HLXLVKOLKSAYJS-UHFFFAOYSA-N	0	0	195.693	3.064	10	0		AGAERN
COc1ccc(C2CC2)cc1Cl	238357251	582551261	/nfs/dbraw/zinc/55/12/61/582551261.db2.gz	ASMNFEJNYJCMPD-UHFFFAOYSA-N	0	0	182.650	3.226	10	0		AGAERN
C[C@@H]1C[C@H]1c1csc(CC2CC2)n1	899240337	582559003	/nfs/dbraw/zinc/55/90/03/582559003.db2.gz	AGJVLLYAFBXNOM-VXNVDRBHSA-N	0	0	193.315	3.219	10	0		AGAERN
C[C@H]1C[C@H]1c1csc(CC2CC2)n1	899240335	582559179	/nfs/dbraw/zinc/55/91/79/582559179.db2.gz	AGJVLLYAFBXNOM-IONNQARKSA-N	0	0	193.315	3.219	10	0		AGAERN
C[C@@H]1C[C@@H]1c1csc(CC2CC2)n1	899240318	582559276	/nfs/dbraw/zinc/55/92/76/582559276.db2.gz	AGJVLLYAFBXNOM-APPZFPTMSA-N	0	0	193.315	3.219	10	0		AGAERN
C[C@H]1C[C@@H]1c1csc(CC2CC2)n1	899240333	582559425	/nfs/dbraw/zinc/55/94/25/582559425.db2.gz	AGJVLLYAFBXNOM-CBAPKCEASA-N	0	0	193.315	3.219	10	0		AGAERN
CCO[C@@H](C)SCc1ccccc1	901380848	582584977	/nfs/dbraw/zinc/58/49/77/582584977.db2.gz	GIAKJMYUJGZZQO-SNVBAGLBSA-N	0	0	196.315	3.302	10	0		AGAERN
CO[C@@H](C)SC1CCCCC1	901376086	582585046	/nfs/dbraw/zinc/58/50/46/582585046.db2.gz	BLWLRZBQXABARM-MRVPVSSYSA-N	0	0	174.309	3.045	10	0		AGAERN
CO[C@H](C)Sc1ccc(C)c(C)c1	901391309	582585182	/nfs/dbraw/zinc/58/51/82/582585182.db2.gz	CUCJLZOIXKSRML-JTQLQIEISA-N	0	0	196.315	3.388	10	0		AGAERN
CCO[C@@H](C)SC1CCCC1	901380552	582585231	/nfs/dbraw/zinc/58/52/31/582585231.db2.gz	AZBJNHOAUFUUGJ-MRVPVSSYSA-N	0	0	174.309	3.045	10	0		AGAERN
CCO[C@H](C)SCc1ccccc1	901380847	582585366	/nfs/dbraw/zinc/58/53/66/582585366.db2.gz	GIAKJMYUJGZZQO-JTQLQIEISA-N	0	0	196.315	3.302	10	0		AGAERN
CCO[C@@H](C)SC1CCCCC1	901377170	582585348	/nfs/dbraw/zinc/58/53/48/582585348.db2.gz	HWZYHIHKPIXSTN-SECBINFHSA-N	0	0	188.336	3.435	10	0		AGAERN
CO[C@@H](C)Sc1ccc(C)c(C)c1	901391310	582585373	/nfs/dbraw/zinc/58/53/73/582585373.db2.gz	CUCJLZOIXKSRML-SNVBAGLBSA-N	0	0	196.315	3.388	10	0		AGAERN
CCO[C@H](C)SC1CCCC1	901380553	582585410	/nfs/dbraw/zinc/58/54/10/582585410.db2.gz	AZBJNHOAUFUUGJ-QMMMGPOBSA-N	0	0	174.309	3.045	10	0		AGAERN
c1csc(-c2cc(C3CC3)no2)c1	901390278	582585431	/nfs/dbraw/zinc/58/54/31/582585431.db2.gz	LWDSQAQORSIRSU-UHFFFAOYSA-N	0	0	191.255	3.281	10	0		AGAERN
CO[C@H](C)SC1CCCCC1	901376088	582585444	/nfs/dbraw/zinc/58/54/44/582585444.db2.gz	BLWLRZBQXABARM-QMMMGPOBSA-N	0	0	174.309	3.045	10	0		AGAERN
CCO[C@H](C)SC1CCCCC1	901377172	582585464	/nfs/dbraw/zinc/58/54/64/582585464.db2.gz	HWZYHIHKPIXSTN-VIFPVBQESA-N	0	0	188.336	3.435	10	0		AGAERN
CO[C@@H](C)Sc1cccc(C)c1	901474178	582585647	/nfs/dbraw/zinc/58/56/47/582585647.db2.gz	GPKYVWKDBNBDAL-SECBINFHSA-N	0	0	182.288	3.080	10	0		AGAERN
CO[C@@H](C)SCC1CCCCC1	901473856	582585672	/nfs/dbraw/zinc/58/56/72/582585672.db2.gz	BYPPLGSPCBMROL-SECBINFHSA-N	0	0	188.336	3.292	10	0		AGAERN
CO[C@H](C)SCC1CCCCC1	901473857	582585861	/nfs/dbraw/zinc/58/58/61/582585861.db2.gz	BYPPLGSPCBMROL-VIFPVBQESA-N	0	0	188.336	3.292	10	0		AGAERN
CO[C@H](C)Sc1cccc(C)c1	901474180	582586003	/nfs/dbraw/zinc/58/60/03/582586003.db2.gz	GPKYVWKDBNBDAL-VIFPVBQESA-N	0	0	182.288	3.080	10	0		AGAERN
CCO[C@H](C)Sc1cccs1	901470288	582586197	/nfs/dbraw/zinc/58/61/97/582586197.db2.gz	DAJHNMDUCIMLJD-ZETCQYMHSA-N	0	0	188.317	3.223	10	0		AGAERN
CCO[C@@H](C)Sc1cccs1	901470287	582586339	/nfs/dbraw/zinc/58/63/39/582586339.db2.gz	DAJHNMDUCIMLJD-SSDOTTSWSA-N	0	0	188.317	3.223	10	0		AGAERN
CCCCCS[C@@H](C)OCC	901529614	582587296	/nfs/dbraw/zinc/58/72/96/582587296.db2.gz	GHVJMWODKLZEKV-VIFPVBQESA-N	0	0	176.325	3.292	10	0		AGAERN
CCO[C@H](C)SC/C(C)=C/Cl	901545370	582588004	/nfs/dbraw/zinc/58/80/04/582588004.db2.gz	CHCVJIDDVBWFBL-IVGLGHLBSA-N	0	0	194.727	3.245	10	0		AGAERN
CCCCCS[C@H](C)OCC	901529613	582587443	/nfs/dbraw/zinc/58/74/43/582587443.db2.gz	GHVJMWODKLZEKV-SECBINFHSA-N	0	0	176.325	3.292	10	0		AGAERN
CO[C@H](C)SCCCC(C)C	901528895	582587490	/nfs/dbraw/zinc/58/74/90/582587490.db2.gz	BQSBVRXFQYBZJX-VIFPVBQESA-N	0	0	176.325	3.148	10	0		AGAERN
CCO[C@@H](C)Sc1ccoc1C	901528845	582587544	/nfs/dbraw/zinc/58/75/44/582587544.db2.gz	AVULQAYLSKZKSZ-MRVPVSSYSA-N	0	0	186.276	3.063	10	0		AGAERN
CO[C@@H](C)SCCCC(C)C	901528893	582587552	/nfs/dbraw/zinc/58/75/52/582587552.db2.gz	BQSBVRXFQYBZJX-SECBINFHSA-N	0	0	176.325	3.148	10	0		AGAERN
CCO[C@H](C)Sc1ccoc1C	901528847	582587593	/nfs/dbraw/zinc/58/75/93/582587593.db2.gz	AVULQAYLSKZKSZ-QMMMGPOBSA-N	0	0	186.276	3.063	10	0		AGAERN
CCO[C@H](C)SCC(C)(C)C	901545335	582587947	/nfs/dbraw/zinc/58/79/47/582587947.db2.gz	BDFMBVFMQDVFMI-QMMMGPOBSA-N	0	0	176.325	3.148	10	0		AGAERN
CCO[C@H](C)SC/C(C)=C\Cl	901545371	582588267	/nfs/dbraw/zinc/58/82/67/582588267.db2.gz	CHCVJIDDVBWFBL-TVSKSKRASA-N	0	0	194.727	3.245	10	0		AGAERN
CCO[C@@H](C)SC/C(C)=C\Cl	901545369	582588315	/nfs/dbraw/zinc/58/83/15/582588315.db2.gz	CHCVJIDDVBWFBL-GRKOMRHMSA-N	0	0	194.727	3.245	10	0		AGAERN
CCO[C@@H](C)SC/C(C)=C/Cl	901545372	582588462	/nfs/dbraw/zinc/58/84/62/582588462.db2.gz	CHCVJIDDVBWFBL-WVXIBAHESA-N	0	0	194.727	3.245	10	0		AGAERN
CC(C)CCSCc1ccncc1	901622006	582588976	/nfs/dbraw/zinc/58/89/76/582588976.db2.gz	AJFKQTWARBXVSE-UHFFFAOYSA-N	0	0	195.331	3.361	10	0		AGAERN
CCCSCc1cc(C)cc(C)n1	901748217	582591606	/nfs/dbraw/zinc/59/16/06/582591606.db2.gz	GZNUPZXRKHNHBG-UHFFFAOYSA-N	0	0	195.331	3.342	10	0		AGAERN
CCSC[C@H]1CCCC(C)(C)O1	902298525	582595044	/nfs/dbraw/zinc/59/50/44/582595044.db2.gz	SCNWAYZOBMKTHE-SECBINFHSA-N	0	0	188.336	3.087	10	0		AGAERN
CCSC[C@@H]1C[C@H]2[C@@H](C1)C2(F)F	902297531	582595248	/nfs/dbraw/zinc/59/52/48/582595248.db2.gz	NAFYKTBTUIWFJB-RNLVFQAGSA-N	0	0	192.274	3.031	10	0		AGAERN
CCSC[C@@H]1CCCC(C)(C)O1	902298526	582595342	/nfs/dbraw/zinc/59/53/42/582595342.db2.gz	SCNWAYZOBMKTHE-VIFPVBQESA-N	0	0	188.336	3.087	10	0		AGAERN
CCSC1CC2(CCC2)C1	902295476	582595689	/nfs/dbraw/zinc/59/56/89/582595689.db2.gz	AIFDDSFWJKFBLS-UHFFFAOYSA-N	0	0	156.294	3.072	10	0		AGAERN
FCCCSC1CC2(CCC2)C1	902341533	582596074	/nfs/dbraw/zinc/59/60/74/582596074.db2.gz	BHIPPOKWYXSXFZ-UHFFFAOYSA-N	0	0	188.311	3.412	10	0		AGAERN
COC[C@H](CSC(C)C)C(C)C	902311875	582596311	/nfs/dbraw/zinc/59/63/11/582596311.db2.gz	IIAYAWUKNVZQNL-SNVBAGLBSA-N	0	0	190.352	3.047	10	0		AGAERN
CC(C)SC1CC2(CCC2)C1	902314195	582596348	/nfs/dbraw/zinc/59/63/48/582596348.db2.gz	YVJZJQIRDCCITM-UHFFFAOYSA-N	0	0	170.321	3.461	10	0		AGAERN
COC[C@@H](CSC(C)C)C(C)C	902311872	582596401	/nfs/dbraw/zinc/59/64/01/582596401.db2.gz	IIAYAWUKNVZQNL-JTQLQIEISA-N	0	0	190.352	3.047	10	0		AGAERN
CCC(F)(F)CSC(C)C	902311364	582596483	/nfs/dbraw/zinc/59/64/83/582596483.db2.gz	HBKLGFQXFJZYAW-UHFFFAOYSA-N	0	0	168.252	3.173	10	0		AGAERN
CCC(F)(F)CSCCCF	902343563	582596498	/nfs/dbraw/zinc/59/64/98/582596498.db2.gz	SLMUJFJDKKTDEP-UHFFFAOYSA-N	0	0	186.242	3.125	10	0		AGAERN
C=C/C=C/CCSCc1ccno1	902327754	582596688	/nfs/dbraw/zinc/59/66/88/582596688.db2.gz	MVBIMVXHEZOELK-ONEGZZNKSA-N	0	0	195.287	3.040	10	0		AGAERN
C=C/C=C\CCSCc1ccno1	902327746	582596868	/nfs/dbraw/zinc/59/68/68/582596868.db2.gz	MVBIMVXHEZOELK-ARJAWSKDSA-N	0	0	195.287	3.040	10	0		AGAERN
CCCCCSCc1n[nH]cc1C	902328166	582596982	/nfs/dbraw/zinc/59/69/82/582596982.db2.gz	ZGLCUVKWJLQGDF-UHFFFAOYSA-N	0	0	198.335	3.142	10	0		AGAERN
C1=C(CSCCOC2CC2)CCC1	902412032	582600012	/nfs/dbraw/zinc/60/00/12/582600012.db2.gz	AYHWBYHBRPLYCM-UHFFFAOYSA-N	0	0	198.331	3.009	10	0		AGAERN
CCOc1cccc(C(F)F)c1	902687205	582611355	/nfs/dbraw/zinc/61/13/55/582611355.db2.gz	XSCBRCKWSUPXCO-UHFFFAOYSA-N	0	0	172.174	3.023	10	0		AGAERN
FC(F)c1cccc(OCC2CC2)c1	902686442	582611734	/nfs/dbraw/zinc/61/17/34/582611734.db2.gz	GUVAWLMWCCILDC-UHFFFAOYSA-N	0	0	198.212	3.413	10	0		AGAERN
CCCOc1cccc(C(F)F)c1	902686833	582611778	/nfs/dbraw/zinc/61/17/78/582611778.db2.gz	LQXSKKCKYPINRP-UHFFFAOYSA-N	0	0	186.201	3.413	10	0		AGAERN
CCCOc1ccc2cnccc2c1	902636268	582611990	/nfs/dbraw/zinc/61/19/90/582611990.db2.gz	AFNPBWFXTQWPMO-UHFFFAOYSA-N	0	0	187.242	3.024	10	0		AGAERN
CCC(CC)C(=O)O[C@H](C)C(C)C	148802455	582639715	/nfs/dbraw/zinc/63/97/15/582639715.db2.gz	YGIUZEHMEAAJDF-SECBINFHSA-N	0	0	186.295	3.010	10	0		AGAERN
c1cc(-c2ccoc2)c(C2CC2)cn1	904782695	582639886	/nfs/dbraw/zinc/63/98/86/582639886.db2.gz	GPDIASYCQJHPQN-UHFFFAOYSA-N	0	0	185.226	3.219	10	0		AGAERN
CCc1cc(-c2ccc(C)o2)ccn1	904782399	582640171	/nfs/dbraw/zinc/64/01/71/582640171.db2.gz	DEDQPPJKICWWKU-UHFFFAOYSA-N	0	0	187.242	3.212	10	0		AGAERN
CC(C)[C@@H](C)OC(=O)CC(C)(C)C	148815503	582640265	/nfs/dbraw/zinc/64/02/65/582640265.db2.gz	AJVVEGKTRJFRBD-SECBINFHSA-N	0	0	186.295	3.010	10	0		AGAERN
c1cc(-c2nc(C3CC3)cs2)c[nH]1	904842865	582640565	/nfs/dbraw/zinc/64/05/65/582640565.db2.gz	DIBHGKRCWZBJGQ-UHFFFAOYSA-N	0	0	190.271	3.016	10	0		AGAERN
CCc1cc(-c2cc(C)co2)ccn1	904804573	582640726	/nfs/dbraw/zinc/64/07/26/582640726.db2.gz	BOSIQEIVUDDDFD-UHFFFAOYSA-N	0	0	187.242	3.212	10	0		AGAERN
CCCCOc1cccc2ncoc12	905100846	582642435	/nfs/dbraw/zinc/64/24/35/582642435.db2.gz	XFKUEZJUTOTHRD-UHFFFAOYSA-N	0	0	191.230	3.007	10	0		AGAERN
CCC[C@@H](C)C(=O)O[C@@H](C)C(C)C	149007638	582651723	/nfs/dbraw/zinc/65/17/23/582651723.db2.gz	NXEGHQIJJBROTH-ZJUUUORDSA-N	0	0	186.295	3.010	10	0		AGAERN
CC(C)[C@H](C)OC(=O)C1(C)CCCC1	149112930	582655116	/nfs/dbraw/zinc/65/51/16/582655116.db2.gz	VILWBQUXCZUFFF-JTQLQIEISA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)[C@@H](C)OC(=O)C1(C)CCCC1	149112747	582655227	/nfs/dbraw/zinc/65/52/27/582655227.db2.gz	VILWBQUXCZUFFF-SNVBAGLBSA-N	0	0	198.306	3.154	10	0		AGAERN
Cc1nc(C)c(-c2sccc2C)o1	906165015	582655272	/nfs/dbraw/zinc/65/52/72/582655272.db2.gz	PEAOOXBCWZNANG-UHFFFAOYSA-N	0	0	193.271	3.328	10	0		AGAERN
Cc1nc(C)c(-c2csc(C)c2)o1	906160518	582655294	/nfs/dbraw/zinc/65/52/94/582655294.db2.gz	YENJDDRGDJJOBC-UHFFFAOYSA-N	0	0	193.271	3.328	10	0		AGAERN
Cc1nc(C)c(-c2ccc(C)s2)o1	906182258	582655357	/nfs/dbraw/zinc/65/53/57/582655357.db2.gz	ZFFBVJVTOMAZHR-UHFFFAOYSA-N	0	0	193.271	3.328	10	0		AGAERN
Cc1ccc(-c2ccccn2)c(F)c1	149292920	582659134	/nfs/dbraw/zinc/65/91/34/582659134.db2.gz	WDVYQRBZSLETSR-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
CCC(CC)C(=O)N(C(C)C)C(C)C	5454515	582663637	/nfs/dbraw/zinc/66/36/37/582663637.db2.gz	DPIFIWCINZAFMY-UHFFFAOYSA-N	0	0	199.338	3.068	10	0		AGAERN
CCCC[C@H](CCC)OC(=O)C1CC1	730291837	582665562	/nfs/dbraw/zinc/66/55/62/582665562.db2.gz	FLYLVPQKKPCIHQ-NSHDSACASA-N	0	0	198.306	3.299	10	0		AGAERN
CCCC[C@@H](CCC)OC(=O)C1CC1	730291836	582666203	/nfs/dbraw/zinc/66/62/03/582666203.db2.gz	FLYLVPQKKPCIHQ-LLVKDONJSA-N	0	0	198.306	3.299	10	0		AGAERN
CCc1cc(C)nc2ccc(F)cc12	224656181	582668461	/nfs/dbraw/zinc/66/84/61/582668461.db2.gz	KRMGTUNGQRODKG-UHFFFAOYSA-N	0	0	189.233	3.245	10	0		AGAERN
CCCC[C@H](C)OC(=O)C1=CCCC1	763536444	582672515	/nfs/dbraw/zinc/67/25/15/582672515.db2.gz	PWGMVDTVMFAAMD-JTQLQIEISA-N	0	0	196.290	3.219	10	0		AGAERN
CCCC1(C(=O)O[C@H](C)C(C)C)CC1	763544638	582672531	/nfs/dbraw/zinc/67/25/31/582672531.db2.gz	SHXJZLYHGKECPY-SNVBAGLBSA-N	0	0	198.306	3.154	10	0		AGAERN
CCCC[C@@H](C)OC(=O)C1=CCCC1	763536448	582672660	/nfs/dbraw/zinc/67/26/60/582672660.db2.gz	PWGMVDTVMFAAMD-SNVBAGLBSA-N	0	0	196.290	3.219	10	0		AGAERN
CCCC[C@H](C)OC(=O)C1CCCC1	763537860	582672904	/nfs/dbraw/zinc/67/29/04/582672904.db2.gz	KHQYNKHUHUGXBG-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
CCCC[C@@H](C)OC(=O)C1CCCC1	763537863	582673136	/nfs/dbraw/zinc/67/31/36/582673136.db2.gz	KHQYNKHUHUGXBG-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
CCCC1(C(=O)O[C@@H](C)C(C)C)CC1	763544636	582673331	/nfs/dbraw/zinc/67/33/31/582673331.db2.gz	SHXJZLYHGKECPY-JTQLQIEISA-N	0	0	198.306	3.154	10	0		AGAERN
CC[C@H](OC(=O)CC1CC1)[C@H](C)CC	835586857	582673675	/nfs/dbraw/zinc/67/36/75/582673675.db2.gz	GYMSNJJWRRZBET-KOLCDFICSA-N	0	0	198.306	3.154	10	0		AGAERN
CC/C=C\COC(=O)C1(C)CCCC1	731768293	582673690	/nfs/dbraw/zinc/67/36/90/582673690.db2.gz	IBOOLLKTPDAVRJ-DAXSKMNVSA-N	0	0	196.290	3.076	10	0		AGAERN
CC(C)(C)CC(=O)OCCC1(C)CC1	764237573	582673698	/nfs/dbraw/zinc/67/36/98/582673698.db2.gz	XICCLDXWNDAPID-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CC[C@@H](C)[C@@H](CC)OC(=O)CC1CC1	835586859	582673947	/nfs/dbraw/zinc/67/39/47/582673947.db2.gz	GYMSNJJWRRZBET-MWLCHTKSSA-N	0	0	198.306	3.154	10	0		AGAERN
CC/C=C/COC(=O)C1(C)CCCC1	731768294	582673991	/nfs/dbraw/zinc/67/39/91/582673991.db2.gz	IBOOLLKTPDAVRJ-QPJJXVBHSA-N	0	0	196.290	3.076	10	0		AGAERN
CC[C@H](C)[C@H](CC)OC(=O)CC1CC1	835586860	582674098	/nfs/dbraw/zinc/67/40/98/582674098.db2.gz	GYMSNJJWRRZBET-ONGXEEELSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(=O)O[C@H](C)CCC1CCCCC1	731777545	582674104	/nfs/dbraw/zinc/67/41/04/582674104.db2.gz	PGLLFFXNZGSLCC-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
CC[C@H](C)[C@@H](CC)OC(=O)CC1CC1	835586855	582674189	/nfs/dbraw/zinc/67/41/89/582674189.db2.gz	GYMSNJJWRRZBET-GXSJLCMTSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(=O)O[C@@H](C)CCC1CCCCC1	731777544	582674279	/nfs/dbraw/zinc/67/42/79/582674279.db2.gz	PGLLFFXNZGSLCC-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
CCC/C=C\C(=O)NC(C)(CC)CC	733177896	582676852	/nfs/dbraw/zinc/67/68/52/582676852.db2.gz	XBKHXFQWZDSOAM-KTKRTIGZSA-N	0	0	197.322	3.038	10	0		AGAERN
CCC/C=C/C(=O)NC(C)(CC)CC	733177900	582677032	/nfs/dbraw/zinc/67/70/32/582677032.db2.gz	XBKHXFQWZDSOAM-MDZDMXLPSA-N	0	0	197.322	3.038	10	0		AGAERN
CCC[C@H](C)C(=O)O[C@H]1C=CCCC1	733451177	582678745	/nfs/dbraw/zinc/67/87/45/582678745.db2.gz	HAVRVMKAZAPSEK-QWRGUYRKSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC[C@@H](C)C(=O)O[C@@H]1C=CCCC1	733451175	582678776	/nfs/dbraw/zinc/67/87/76/582678776.db2.gz	HAVRVMKAZAPSEK-GHMZBOCLSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC[C@H](C)C(=O)O[C@@H]1C=CCCC1	733451178	582678956	/nfs/dbraw/zinc/67/89/56/582678956.db2.gz	HAVRVMKAZAPSEK-WDEREUQCSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC[C@@H](C)C(=O)O[C@H]1C=CCCC1	733451176	582678961	/nfs/dbraw/zinc/67/89/61/582678961.db2.gz	HAVRVMKAZAPSEK-MNOVXSKESA-N	0	0	196.290	3.075	10	0		AGAERN
CC(C)(C)/C=C\C(=O)OC1CCCC1	733908137	582680882	/nfs/dbraw/zinc/68/08/82/582680882.db2.gz	QBCDZIUZYNDKHE-HJWRWDBZSA-N	0	0	196.290	3.075	10	0		AGAERN
CC(C)(C)/C=C/C(=O)OC1CCCC1	733908136	582681179	/nfs/dbraw/zinc/68/11/79/582681179.db2.gz	QBCDZIUZYNDKHE-CMDGGOBGSA-N	0	0	196.290	3.075	10	0		AGAERN
CC/C=C/COC(=O)[C@H](C)C(C)(C)C	734707159	582681800	/nfs/dbraw/zinc/68/18/00/582681800.db2.gz	GHRJIPWSCWUNBL-JARNTUPDSA-N	0	0	198.306	3.178	10	0		AGAERN
CCCC(=O)O[C@@H]1CCC[C@H](CC)C1	734725975	582681827	/nfs/dbraw/zinc/68/18/27/582681827.db2.gz	OIRMTCKNOIZZNL-WDEREUQCSA-N	0	0	198.306	3.299	10	0		AGAERN
CC[C@@H]1CCC[C@@H](OC(=O)C(C)C)C1	734728137	582681863	/nfs/dbraw/zinc/68/18/63/582681863.db2.gz	YTTGPMBFLZZNLW-GHMZBOCLSA-N	0	0	198.306	3.154	10	0		AGAERN
CC[C@H]1CCC[C@@H](OC(=O)C(C)C)C1	734728142	582681940	/nfs/dbraw/zinc/68/19/40/582681940.db2.gz	YTTGPMBFLZZNLW-WDEREUQCSA-N	0	0	198.306	3.154	10	0		AGAERN
CC/C=C/COC(=O)[C@@H](C)C(C)(C)C	734707160	582681964	/nfs/dbraw/zinc/68/19/64/582681964.db2.gz	GHRJIPWSCWUNBL-QROSGCPLSA-N	0	0	198.306	3.178	10	0		AGAERN
CC/C=C\COC(=O)[C@@H](C)C(C)(C)C	734707158	582681969	/nfs/dbraw/zinc/68/19/69/582681969.db2.gz	GHRJIPWSCWUNBL-GQYWMQPJSA-N	0	0	198.306	3.178	10	0		AGAERN
CCCC(=O)O[C@H]1CCC[C@H](CC)C1	734725974	582681980	/nfs/dbraw/zinc/68/19/80/582681980.db2.gz	OIRMTCKNOIZZNL-QWRGUYRKSA-N	0	0	198.306	3.299	10	0		AGAERN
CC[C@H]1CCC[C@H](OC(=O)C(C)C)C1	734728140	582682162	/nfs/dbraw/zinc/68/21/62/582682162.db2.gz	YTTGPMBFLZZNLW-QWRGUYRKSA-N	0	0	198.306	3.154	10	0		AGAERN
CCCC(=O)O[C@@H]1CCC[C@@H](CC)C1	734725972	582682166	/nfs/dbraw/zinc/68/21/66/582682166.db2.gz	OIRMTCKNOIZZNL-GHMZBOCLSA-N	0	0	198.306	3.299	10	0		AGAERN
CCCC(=O)O[C@H]1CCC[C@@H](CC)C1	734725973	582682383	/nfs/dbraw/zinc/68/23/83/582682383.db2.gz	OIRMTCKNOIZZNL-MNOVXSKESA-N	0	0	198.306	3.299	10	0		AGAERN
CCCCCCOC(=O)CCC1CC1	734611141	582682434	/nfs/dbraw/zinc/68/24/34/582682434.db2.gz	DBAUNGOFFCLZBO-UHFFFAOYSA-N	0	0	198.306	3.300	10	0		AGAERN
CC/C=C\COC(=O)[C@H](C)C(C)(C)C	734707157	582682524	/nfs/dbraw/zinc/68/25/24/582682524.db2.gz	GHRJIPWSCWUNBL-DMEOUFDRSA-N	0	0	198.306	3.178	10	0		AGAERN
CC[C@@H]1CCC[C@H](OC(=O)C(C)C)C1	734728139	582682577	/nfs/dbraw/zinc/68/25/77/582682577.db2.gz	YTTGPMBFLZZNLW-MNOVXSKESA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)(C)/C=C\C(=O)OCC(C)(C)C	735211775	582682803	/nfs/dbraw/zinc/68/28/03/582682803.db2.gz	RMPRKBPBWGTLGK-FPLPWBNLSA-N	0	0	198.306	3.178	10	0		AGAERN
CCC/C=C\C(=O)OC1CCCCC1	735206449	582682815	/nfs/dbraw/zinc/68/28/15/582682815.db2.gz	DATPCMLVYGVGKS-YHYXMXQVSA-N	0	0	196.290	3.219	10	0		AGAERN
CCC/C=C/C(=O)O[C@H](C)CC(C)C	735205325	582682914	/nfs/dbraw/zinc/68/29/14/582682914.db2.gz	BOMSCYYSHJKLNE-WSKFYRRCSA-N	0	0	198.306	3.321	10	0		AGAERN
CC/C=C/COC(=O)/C=C\C(C)(C)C	735208484	582682963	/nfs/dbraw/zinc/68/29/63/582682963.db2.gz	QRLHNAFRJQQXGX-MUIOLIGRSA-N	0	0	196.290	3.098	10	0		AGAERN
CCC/C=C/C(=O)OC1CCCCC1	735206447	582683062	/nfs/dbraw/zinc/68/30/62/582683062.db2.gz	DATPCMLVYGVGKS-BJMVGYQFSA-N	0	0	196.290	3.219	10	0		AGAERN
CCC/C=C\C(=O)O[C@@H](C)CC(C)C	735205324	582683092	/nfs/dbraw/zinc/68/30/92/582683092.db2.gz	BOMSCYYSHJKLNE-TVRMLOFPSA-N	0	0	198.306	3.321	10	0		AGAERN
CC/C=C/COC(=O)/C=C/C(C)(C)C	735208482	582683100	/nfs/dbraw/zinc/68/31/00/582683100.db2.gz	QRLHNAFRJQQXGX-BLHCBFLLSA-N	0	0	196.290	3.098	10	0		AGAERN
CC(C)(C)/C=C/C(=O)OCC(C)(C)C	735211773	582683112	/nfs/dbraw/zinc/68/31/12/582683112.db2.gz	RMPRKBPBWGTLGK-BQYQJAHWSA-N	0	0	198.306	3.178	10	0		AGAERN
CC/C=C\COC(=O)/C=C\C(C)(C)C	735208483	582683175	/nfs/dbraw/zinc/68/31/75/582683175.db2.gz	QRLHNAFRJQQXGX-JPDBVBESSA-N	0	0	196.290	3.098	10	0		AGAERN
CCC/C=C/C(=O)O[C@@H](C)CC(C)C	735205318	582683197	/nfs/dbraw/zinc/68/31/97/582683197.db2.gz	BOMSCYYSHJKLNE-AEZGRPFRSA-N	0	0	198.306	3.321	10	0		AGAERN
CC/C=C\COC(=O)/C=C/C(C)(C)C	735208485	582683272	/nfs/dbraw/zinc/68/32/72/582683272.db2.gz	QRLHNAFRJQQXGX-NMMTYZSQSA-N	0	0	196.290	3.098	10	0		AGAERN
CCC/C=C\C(=O)O[C@H](C)CC(C)C	735205322	582683291	/nfs/dbraw/zinc/68/32/91/582683291.db2.gz	BOMSCYYSHJKLNE-SKVAFPRGSA-N	0	0	198.306	3.321	10	0		AGAERN
CC1(C)CCC(=O)c2ccc(F)cc21	206512417	582690395	/nfs/dbraw/zinc/69/03/95/582690395.db2.gz	GXXKWDBUJICOIW-UHFFFAOYSA-N	0	0	192.233	3.080	10	0		AGAERN
CCCC[C@]1(O)C=CC(C)(C)CC1	205212908	582693492	/nfs/dbraw/zinc/69/34/92/582693492.db2.gz	BACSJQJIGZQRCA-LBPRGKRZSA-N	0	0	182.307	3.284	10	0		AGAERN
CCCCCC(=O)OCC(C)(C)C	113380417	582695316	/nfs/dbraw/zinc/69/53/16/582695316.db2.gz	SCOAFHPSYBOAGF-UHFFFAOYSA-N	0	0	186.295	3.156	10	0		AGAERN
CCSc1ccc(N)cc1Cl	19869640	582702876	/nfs/dbraw/zinc/70/28/76/582702876.db2.gz	LNXLUAQFYHQATK-UHFFFAOYSA-N	0	0	187.695	3.034	10	0		AGAERN
CC(C)[C@H](C)Nc1ncccc1Cl	20523573	582704859	/nfs/dbraw/zinc/70/48/59/582704859.db2.gz	CHDJDEJTHVYUDP-QMMMGPOBSA-N	0	0	198.697	3.191	10	0		AGAERN
CCCCSc1ncccc1C	202465649	582707003	/nfs/dbraw/zinc/70/70/03/582707003.db2.gz	FWGTYYVZZRCFQJ-UHFFFAOYSA-N	0	0	181.304	3.282	10	0		AGAERN
CNc1ccc(-c2ccnc(C)c2)cc1	201940090	582707890	/nfs/dbraw/zinc/70/78/90/582707890.db2.gz	HIHLXMAJXGCGAT-UHFFFAOYSA-N	0	0	198.269	3.099	10	0		AGAERN
CCCCc1ccc(O)c(Cl)c1	5647500	582709921	/nfs/dbraw/zinc/70/99/21/582709921.db2.gz	XKPPCQGTLVOZEG-UHFFFAOYSA-N	0	0	184.666	3.388	10	0		AGAERN
CC/C=C/COC(=O)CCC(C)(C)C	739152605	582719827	/nfs/dbraw/zinc/71/98/27/582719827.db2.gz	HCYNGPVKZCKGEA-VOTSOKGWSA-N	0	0	198.306	3.322	10	0		AGAERN
CC/C=C\COC(=O)CCC(C)(C)C	739152604	582719274	/nfs/dbraw/zinc/71/92/74/582719274.db2.gz	HCYNGPVKZCKGEA-SREVYHEPSA-N	0	0	198.306	3.322	10	0		AGAERN
C[C@H](OC(=O)CCC(C)(C)C)C1CC1	739160607	582719430	/nfs/dbraw/zinc/71/94/30/582719430.db2.gz	ULQQEKZKELHWJC-VIFPVBQESA-N	0	0	198.306	3.154	10	0		AGAERN
C/C=C(/C)COC(=O)CCCC1CC1	842845325	582719978	/nfs/dbraw/zinc/71/99/78/582719978.db2.gz	GEKPNHJXJGEPCN-KMKOMSMNSA-N	0	0	196.290	3.076	10	0		AGAERN
C/C=C(\C)COC(=O)CCCC1CC1	842845327	582720270	/nfs/dbraw/zinc/72/02/70/582720270.db2.gz	GEKPNHJXJGEPCN-XCVCLJGOSA-N	0	0	196.290	3.076	10	0		AGAERN
C/C=C(\C)COC(=O)CCC1CCC1	842845537	582720589	/nfs/dbraw/zinc/72/05/89/582720589.db2.gz	CZRVPQDGZQPKHW-XCVCLJGOSA-N	0	0	196.290	3.076	10	0		AGAERN
C/C=C(/C)COC(=O)CCC1CCC1	842845535	582720593	/nfs/dbraw/zinc/72/05/93/582720593.db2.gz	CZRVPQDGZQPKHW-KMKOMSMNSA-N	0	0	196.290	3.076	10	0		AGAERN
CCCCCC[C@](C)(CC)C(=O)NC	742517223	582734187	/nfs/dbraw/zinc/73/41/87/582734187.db2.gz	GMNDOZKNUSLVOR-LBPRGKRZSA-N	0	0	199.338	3.119	10	0		AGAERN
CCCCCC[C@@](C)(CC)C(=O)NC	742517222	582734683	/nfs/dbraw/zinc/73/46/83/582734683.db2.gz	GMNDOZKNUSLVOR-GFCCVEGCSA-N	0	0	199.338	3.119	10	0		AGAERN
Cc1noc(C2CCCCCCC2)n1	743277488	582737093	/nfs/dbraw/zinc/73/70/93/582737093.db2.gz	FOEADXABTHVYKZ-UHFFFAOYSA-N	0	0	194.278	3.206	10	0		AGAERN
Cc1ccc(N(C)CC2CCC2)cc1	743843713	582737674	/nfs/dbraw/zinc/73/76/74/582737674.db2.gz	FHZPRSWJYNBWDJ-UHFFFAOYSA-N	0	0	189.302	3.231	10	0		AGAERN
Cc1ccc(N(C)CCC2CC2)cc1	743843879	582738493	/nfs/dbraw/zinc/73/84/93/582738493.db2.gz	GIBPUMOTMILVJP-UHFFFAOYSA-N	0	0	189.302	3.231	10	0		AGAERN
CCCCCCOC(=O)/C=C\C1CC1	744047657	582739324	/nfs/dbraw/zinc/73/93/24/582739324.db2.gz	SXMJMIUWLVPQKI-HJWRWDBZSA-N	0	0	196.290	3.076	10	0		AGAERN
CCCCCCOC(=O)/C=C/C1CC1	744047656	582739355	/nfs/dbraw/zinc/73/93/55/582739355.db2.gz	SXMJMIUWLVPQKI-CMDGGOBGSA-N	0	0	196.290	3.076	10	0		AGAERN
CCCCOC(=O)/C=C(/C)C(C)(C)C	744040050	582739715	/nfs/dbraw/zinc/73/97/15/582739715.db2.gz	BXCFLXPLENURSC-KTKRTIGZSA-N	0	0	198.306	3.322	10	0		AGAERN
CC(C)C(=O)O[C@@H]1C[C@@H](C)C[C@@H](C)C1	744213548	582740075	/nfs/dbraw/zinc/74/00/75/582740075.db2.gz	UYHCVZFTMHZMJD-URLYPYJESA-N	0	0	198.306	3.010	10	0		AGAERN
CCCC(=O)OC1C[C@@H](C)C[C@H](C)C1	744214403	582740107	/nfs/dbraw/zinc/74/01/07/582740107.db2.gz	JPTARLHOYWFFII-UWVGGRQHSA-N	0	0	198.306	3.154	10	0		AGAERN
CCCC(=O)O[C@@H]1C[C@@H](C)C[C@@H](C)C1	744214402	582740390	/nfs/dbraw/zinc/74/03/90/582740390.db2.gz	JPTARLHOYWFFII-URLYPYJESA-N	0	0	198.306	3.154	10	0		AGAERN
CCCC(=O)OC1C[C@H](C)C[C@@H](C)C1	744214060	582740414	/nfs/dbraw/zinc/74/04/14/582740414.db2.gz	JPTARLHOYWFFII-NXEZZACHSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)C(=O)OC1C[C@H](C)C[C@@H](C)C1	744213547	582740665	/nfs/dbraw/zinc/74/06/65/582740665.db2.gz	UYHCVZFTMHZMJD-NXEZZACHSA-N	0	0	198.306	3.010	10	0		AGAERN
CC(C)C(=O)OC1C[C@@H](C)C[C@H](C)C1	744213549	582740703	/nfs/dbraw/zinc/74/07/03/582740703.db2.gz	UYHCVZFTMHZMJD-UWVGGRQHSA-N	0	0	198.306	3.010	10	0		AGAERN
CC/C=C(\C)C(=O)OCC(C)(C)CC	744331826	582741010	/nfs/dbraw/zinc/74/10/10/582741010.db2.gz	XQODNMFTXRPZGW-CSKARUKUSA-N	0	0	198.306	3.322	10	0		AGAERN
CCC(C)(C)CCOC(=O)CC1CC1	744340595	582741171	/nfs/dbraw/zinc/74/11/71/582741171.db2.gz	WPIAFIIBJGLMPT-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CC/C=C(/C)C(=O)OCC(C)(C)CC	744331827	582741181	/nfs/dbraw/zinc/74/11/81/582741181.db2.gz	XQODNMFTXRPZGW-NTMALXAHSA-N	0	0	198.306	3.322	10	0		AGAERN
CCC[C@H](C)CC(=O)OCCC1CC1	744280894	582741410	/nfs/dbraw/zinc/74/14/10/582741410.db2.gz	AHIXKRRXGVHJII-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
CCC(C)(C)COC(=O)CCC1CC1	744330608	582741453	/nfs/dbraw/zinc/74/14/53/582741453.db2.gz	WVSRITCHSUOHSQ-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC(C)(C)COC(=O)CC1CCC1	744328551	582741466	/nfs/dbraw/zinc/74/14/66/582741466.db2.gz	MJIJJQZVOMAARU-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC/C=C/C(=O)OCC(C)(C)CC	744331656	582741488	/nfs/dbraw/zinc/74/14/88/582741488.db2.gz	UADMVHXJCUFRNN-CMDGGOBGSA-N	0	0	198.306	3.322	10	0		AGAERN
CCC(C)(C)COC(=O)C1CCCC1	744327881	582741504	/nfs/dbraw/zinc/74/15/04/582741504.db2.gz	DRWYLBIUIOMEKX-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC/C=C\C(=O)OCC(C)(C)CC	744331657	582741613	/nfs/dbraw/zinc/74/16/13/582741613.db2.gz	UADMVHXJCUFRNN-HJWRWDBZSA-N	0	0	198.306	3.322	10	0		AGAERN
CCC(C)(C)CCOC(=O)C1CCC1	744343756	582741656	/nfs/dbraw/zinc/74/16/56/582741656.db2.gz	USRQSHYNPAKJTE-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC[C@@H](C)CC(=O)OCCC1CC1	744280896	582741665	/nfs/dbraw/zinc/74/16/65/582741665.db2.gz	AHIXKRRXGVHJII-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC(C)(C)CC(=O)OC[C@H]1C[C@@H]1C	745949771	582744184	/nfs/dbraw/zinc/74/41/84/582744184.db2.gz	AMRKZDUWULVTEI-VHSXEESVSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC(C)(C)CC(=O)OC[C@@H]1C[C@H]1C	745949772	582744315	/nfs/dbraw/zinc/74/43/15/582744315.db2.gz	AMRKZDUWULVTEI-ZJUUUORDSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC(C)(C)CC(=O)OC[C@H]1C[C@H]1C	745949768	582744420	/nfs/dbraw/zinc/74/44/20/582744420.db2.gz	AMRKZDUWULVTEI-NXEZZACHSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC(C)(C)CC(=O)OC[C@@H]1C[C@@H]1C	745949769	582744488	/nfs/dbraw/zinc/74/44/88/582744488.db2.gz	AMRKZDUWULVTEI-UWVGGRQHSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC(C)(C)CC(=O)O[C@@H](C)C1CC1	745949329	582744596	/nfs/dbraw/zinc/74/45/96/582744596.db2.gz	GCKXKCWXGNGKRD-VIFPVBQESA-N	0	0	198.306	3.154	10	0		AGAERN
CC/C=C/COC(=O)CC(C)(C)CC	745949665	582744604	/nfs/dbraw/zinc/74/46/04/582744604.db2.gz	RNDUKVRRVTVWFY-BQYQJAHWSA-N	0	0	198.306	3.322	10	0		AGAERN
CC/C=C\COC(=O)CC(C)(C)CC	745949666	582744611	/nfs/dbraw/zinc/74/46/11/582744611.db2.gz	RNDUKVRRVTVWFY-FPLPWBNLSA-N	0	0	198.306	3.322	10	0		AGAERN
CCC(C)(C)CC(=O)OCCC1CC1	745776972	582745113	/nfs/dbraw/zinc/74/51/13/582745113.db2.gz	CDTJJDMYROUXDQ-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCN(CCF)c1ccc(C)cc1C	746501903	582746897	/nfs/dbraw/zinc/74/68/97/582746897.db2.gz	AYMYQJBCPGIAJH-UHFFFAOYSA-N	0	0	195.281	3.099	10	0		AGAERN
CCC(C)(C)C(=O)OC[C@H](C)C1CC1	789602590	582747643	/nfs/dbraw/zinc/74/76/43/582747643.db2.gz	TYCUGUJMULXPDJ-VIFPVBQESA-N	0	0	198.306	3.012	10	0		AGAERN
CCC(C)(C)C(=O)OC[C@@H](C)C1CC1	789602589	582747711	/nfs/dbraw/zinc/74/77/11/582747711.db2.gz	TYCUGUJMULXPDJ-SECBINFHSA-N	0	0	198.306	3.012	10	0		AGAERN
CC1=C(C(=O)O[C@H](C)C(C)C)CCC1	747250996	582748037	/nfs/dbraw/zinc/74/80/37/582748037.db2.gz	PZPVHVKHFDDMGD-SNVBAGLBSA-N	0	0	196.290	3.075	10	0		AGAERN
CC1=C(C(=O)O[C@@H](C)C(C)C)CCC1	747250994	582748373	/nfs/dbraw/zinc/74/83/73/582748373.db2.gz	PZPVHVKHFDDMGD-JTQLQIEISA-N	0	0	196.290	3.075	10	0		AGAERN
CC1=C(C(=O)OCC(C)(C)C)CCC1	747229558	582748575	/nfs/dbraw/zinc/74/85/75/582748575.db2.gz	OVTORYQKCOXQIT-UHFFFAOYSA-N	0	0	196.290	3.076	10	0		AGAERN
CC(C)C[C@H](C)CC(=O)OC1CCC1	747772674	582749872	/nfs/dbraw/zinc/74/98/72/582749872.db2.gz	KVETXYWFMYOCMO-JTQLQIEISA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)C[C@@H](C)CC(=O)OC1CCC1	747772675	582749942	/nfs/dbraw/zinc/74/99/42/582749942.db2.gz	KVETXYWFMYOCMO-SNVBAGLBSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)(C)CCCC(=O)OC1CCC1	747770967	582750064	/nfs/dbraw/zinc/75/00/64/582750064.db2.gz	MLTPCRICJSYTIC-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
O=C(OC1CCC1)C1CCCCCC1	747773099	582750330	/nfs/dbraw/zinc/75/03/30/582750330.db2.gz	XGPRFRDSXPRJQI-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
CCCCCC(=O)OC1(C2CC2)CC1	747773514	582750410	/nfs/dbraw/zinc/75/04/10/582750410.db2.gz	PGWOAMZLKIPYNU-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
O=C(CCC1CCCC1)OC1CCC1	747773035	582750452	/nfs/dbraw/zinc/75/04/52/582750452.db2.gz	SDRUFCMRRRIUKU-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
CCC[C@H](C)OC(=O)/C=C(\C)C1CC1	748121086	582750636	/nfs/dbraw/zinc/75/06/36/582750636.db2.gz	GVCNXNKUIUPPHP-DDXVTDLHSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC[C@@H](C)OC(=O)/C=C(\C)C1CC1	748121083	582751135	/nfs/dbraw/zinc/75/11/35/582751135.db2.gz	GVCNXNKUIUPPHP-AAXQSMANSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC[C@H](C)OC(=O)/C=C(/C)C1CC1	748121089	582751402	/nfs/dbraw/zinc/75/14/02/582751402.db2.gz	GVCNXNKUIUPPHP-QROTZFDESA-N	0	0	196.290	3.075	10	0		AGAERN
CCC[C@@H](C)OC(=O)/C=C(/C)C1CC1	748121087	582751408	/nfs/dbraw/zinc/75/14/08/582751408.db2.gz	GVCNXNKUIUPPHP-HSTULFTRSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC[C@@H](C)OC(=O)C1(C)CCCC1	748105551	582751460	/nfs/dbraw/zinc/75/14/60/582751460.db2.gz	BIDNINHMGHYATJ-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
CCC[C@H](C)OC(=O)C1(C)CCCC1	748105550	582751606	/nfs/dbraw/zinc/75/16/06/582751606.db2.gz	BIDNINHMGHYATJ-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
CC(C)CCCOC(=O)[C@H](C)C1CC1	749024463	582753056	/nfs/dbraw/zinc/75/30/56/582753056.db2.gz	FMWNOBLWQKAZDE-SNVBAGLBSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)CCCOC(=O)[C@@H](C)C1CC1	749024449	582753203	/nfs/dbraw/zinc/75/32/03/582753203.db2.gz	FMWNOBLWQKAZDE-JTQLQIEISA-N	0	0	198.306	3.012	10	0		AGAERN
CCC(C)(C)COC(=O)[C@H](C)C1CC1	749042197	582754184	/nfs/dbraw/zinc/75/41/84/582754184.db2.gz	YOYYFXHUOONUPS-SECBINFHSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC(C)(C)COC(=O)[C@@H](C)C1CC1	749042198	582754210	/nfs/dbraw/zinc/75/42/10/582754210.db2.gz	YOYYFXHUOONUPS-VIFPVBQESA-N	0	0	198.306	3.012	10	0		AGAERN
CCCN(c1ccc(F)cc1)C(C)C	749908142	582756526	/nfs/dbraw/zinc/75/65/26/582756526.db2.gz	RJZHWZYHVGDRKT-UHFFFAOYSA-N	0	0	195.281	3.451	10	0		AGAERN
CCCCCC(=O)OCC1CC=CC1	750362075	582756993	/nfs/dbraw/zinc/75/69/93/582756993.db2.gz	ZPYNXAKCQBZEBC-UHFFFAOYSA-N	0	0	196.290	3.076	10	0		AGAERN
C/C(=C/C(=O)OC1CCC1)C(C)(C)C	750738355	582758058	/nfs/dbraw/zinc/75/80/58/582758058.db2.gz	YQYZYXFTXWNACZ-HJWRWDBZSA-N	0	0	196.290	3.075	10	0		AGAERN
CC/C=C\CCOC(=O)C1(CC)CC1	750688218	582758080	/nfs/dbraw/zinc/75/80/80/582758080.db2.gz	DNUQDWURZGVXGR-WAYWQWQTSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC(C)(C)COC(=O)C1(C)CCC1	750737038	582758187	/nfs/dbraw/zinc/75/81/87/582758187.db2.gz	DXAWSKJGYRWWNN-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CC/C=C\COC(=O)CCC1CCC1	750690707	582758273	/nfs/dbraw/zinc/75/82/73/582758273.db2.gz	XHKIRAXINGWASV-ARJAWSKDSA-N	0	0	196.290	3.076	10	0		AGAERN
O=C(CC1CCCCC1)OC1CCC1	750738700	582758423	/nfs/dbraw/zinc/75/84/23/582758423.db2.gz	VVIZPTXAMUFNGV-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
CC/C=C/CCOC(=O)C1(CC)CC1	750688215	582758427	/nfs/dbraw/zinc/75/84/27/582758427.db2.gz	DNUQDWURZGVXGR-AATRIKPKSA-N	0	0	196.290	3.076	10	0		AGAERN
C/C(=C\C(=O)OC1CCC1)C(C)(C)C	750738346	582758641	/nfs/dbraw/zinc/75/86/41/582758641.db2.gz	YQYZYXFTXWNACZ-CMDGGOBGSA-N	0	0	196.290	3.075	10	0		AGAERN
CC(C)(C)COC(=O)CCC1CCC1	750699821	582758624	/nfs/dbraw/zinc/75/86/24/582758624.db2.gz	ZSIWYJGIHMIEME-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC(C)(C)COC(=O)C1(CC)CC1	750737851	582758738	/nfs/dbraw/zinc/75/87/38/582758738.db2.gz	ZWGNFMOCWZHBOT-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CC/C=C/COC(=O)CCC1CCC1	750690708	582758760	/nfs/dbraw/zinc/75/87/60/582758760.db2.gz	XHKIRAXINGWASV-ONEGZZNKSA-N	0	0	196.290	3.076	10	0		AGAERN
C/C=C(/C)C(=O)OCCC1CCCC1	750902754	582759274	/nfs/dbraw/zinc/75/92/74/582759274.db2.gz	DGUYKAJLMIIIRM-KMKOMSMNSA-N	0	0	196.290	3.076	10	0		AGAERN
C/C=C(\C)C(=O)OCCC1CCCC1	750902758	582759517	/nfs/dbraw/zinc/75/95/17/582759517.db2.gz	DGUYKAJLMIIIRM-XCVCLJGOSA-N	0	0	196.290	3.076	10	0		AGAERN
CC(C)=C(C)C(=O)OCC1CCCC1	750939798	582760336	/nfs/dbraw/zinc/76/03/36/582760336.db2.gz	HZJUVPFDGPOMCA-UHFFFAOYSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC(C)(CC)NC(=O)C(C)=C(C)C	751195684	582761095	/nfs/dbraw/zinc/76/10/95/582761095.db2.gz	PVSUWWZFSXQZOH-UHFFFAOYSA-N	0	0	197.322	3.038	10	0		AGAERN
CC/C=C/COC(=O)C1(CC)CCC1	751830974	582765010	/nfs/dbraw/zinc/76/50/10/582765010.db2.gz	CCBAQLAPCILOBO-AATRIKPKSA-N	0	0	196.290	3.076	10	0		AGAERN
CC(C)(C)CCOC(=O)[C@@H]1CC1(C)C	751797392	582765318	/nfs/dbraw/zinc/76/53/18/582765318.db2.gz	PNXYDQYKXCLKII-VIFPVBQESA-N	0	0	198.306	3.012	10	0		AGAERN
CC/C=C\COC(=O)C1(CC)CCC1	751830976	582765451	/nfs/dbraw/zinc/76/54/51/582765451.db2.gz	CCBAQLAPCILOBO-WAYWQWQTSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC1(C(=O)OCC(C)(C)C)CCC1	751837092	582766430	/nfs/dbraw/zinc/76/64/30/582766430.db2.gz	WFAPEDSYCHKDCC-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CC(C)C[C@H](C)OC(=O)[C@@H]1CC1(C)C	752483759	582769732	/nfs/dbraw/zinc/76/97/32/582769732.db2.gz	OHKSSDQHFLDHSR-UWVGGRQHSA-N	0	0	198.306	3.010	10	0		AGAERN
CC(C)C[C@@H](C)OC(=O)[C@@H]1CC1(C)C	752483761	582769744	/nfs/dbraw/zinc/76/97/44/582769744.db2.gz	OHKSSDQHFLDHSR-ZJUUUORDSA-N	0	0	198.306	3.010	10	0		AGAERN
CCC(C)(C)COC(=O)[C@@H]1CC1(C)C	752509287	582769894	/nfs/dbraw/zinc/76/98/94/582769894.db2.gz	NXSAGFZBHWQRHZ-VIFPVBQESA-N	0	0	198.306	3.012	10	0		AGAERN
CCC(C)(C)COC(=O)[C@H]1CC1(C)C	752509285	582769895	/nfs/dbraw/zinc/76/98/95/582769895.db2.gz	NXSAGFZBHWQRHZ-SECBINFHSA-N	0	0	198.306	3.012	10	0		AGAERN
CCCC[C@@H](C)OC(=O)[C@H]1CC1(C)C	752521116	582770622	/nfs/dbraw/zinc/77/06/22/582770622.db2.gz	LEPSCWJUYONRLY-NXEZZACHSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)=CC(=O)OCC1(C)CCCC1	752552515	582770740	/nfs/dbraw/zinc/77/07/40/582770740.db2.gz	DPBFOESRKCLWFZ-UHFFFAOYSA-N	0	0	196.290	3.076	10	0		AGAERN
CCCCC(=O)OCC1(C)CCCC1	752555628	582770837	/nfs/dbraw/zinc/77/08/37/582770837.db2.gz	QOIZMJMVWZSWBQ-UHFFFAOYSA-N	0	0	198.306	3.300	10	0		AGAERN
CCC[C@H](CC)OC(=O)[C@@H]1CC1(C)C	752520468	582770871	/nfs/dbraw/zinc/77/08/71/582770871.db2.gz	DRSZXROBBLBSGJ-UWVGGRQHSA-N	0	0	198.306	3.154	10	0		AGAERN
CC[C@H](C)C(=O)OCC1(C)CCCC1	752549154	582771003	/nfs/dbraw/zinc/77/10/03/582771003.db2.gz	STBJLMSPVBJWKT-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
CC1(COC(=O)C(C)(C)C)CCCC1	752550867	582771008	/nfs/dbraw/zinc/77/10/08/582771008.db2.gz	YXXIGAJRGPRBRC-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCCC[C@@H](C)OC(=O)[C@@H]1CC1(C)C	752521119	582771013	/nfs/dbraw/zinc/77/10/13/582771013.db2.gz	LEPSCWJUYONRLY-ZJUUUORDSA-N	0	0	198.306	3.154	10	0		AGAERN
CC[C@@H](C)C(=O)OCC1(C)CCCC1	752549158	582771021	/nfs/dbraw/zinc/77/10/21/582771021.db2.gz	STBJLMSPVBJWKT-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
CCCC[C@H](C)OC(=O)[C@H]1CC1(C)C	752521118	582771035	/nfs/dbraw/zinc/77/10/35/582771035.db2.gz	LEPSCWJUYONRLY-VHSXEESVSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC[C@@H](CC)OC(=O)[C@H]1CC1(C)C	752520466	582771214	/nfs/dbraw/zinc/77/12/14/582771214.db2.gz	DRSZXROBBLBSGJ-NXEZZACHSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC[C@@H](CC)OC(=O)[C@@H]1CC1(C)C	752520471	582771312	/nfs/dbraw/zinc/77/13/12/582771312.db2.gz	DRSZXROBBLBSGJ-ZJUUUORDSA-N	0	0	198.306	3.154	10	0		AGAERN
CCCC[C@H](C)OC(=O)[C@@H]1CC1(C)C	752521117	582771329	/nfs/dbraw/zinc/77/13/29/582771329.db2.gz	LEPSCWJUYONRLY-UWVGGRQHSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC[C@H](CC)OC(=O)[C@H]1CC1(C)C	752520470	582771405	/nfs/dbraw/zinc/77/14/05/582771405.db2.gz	DRSZXROBBLBSGJ-VHSXEESVSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)CC(=O)OCC1(C)CCCC1	752548973	582771526	/nfs/dbraw/zinc/77/15/26/582771526.db2.gz	NZFDSHJXPKUVPZ-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCCC(CCC)C(=O)OC1CCC1	753558995	582772932	/nfs/dbraw/zinc/77/29/32/582772932.db2.gz	RFDVRJMFRVRPME-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
CCC(C)(C)COC(=O)C1CC(C)C1	753812009	582775712	/nfs/dbraw/zinc/77/57/12/582775712.db2.gz	YGNMAOWUUNXILI-UHFFFAOYSA-N	0	0	198.306	3.012	10	0		AGAERN
CC1(OC(=O)CC2CCCC2)CCC1	753949231	582777399	/nfs/dbraw/zinc/77/73/99/582777399.db2.gz	XNPBIGDZBDKHOO-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
CCC[C@@H](C)CC(=O)OC1(C)CCC1	753947383	582777904	/nfs/dbraw/zinc/77/79/04/582777904.db2.gz	DAGUDKXMUICIQM-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
CC1(OC(=O)C2CCCCC2)CCC1	753948563	582777906	/nfs/dbraw/zinc/77/79/06/582777906.db2.gz	ODSWKBYQYHWQRD-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
CCC[C@H](C)CC(=O)OC1(C)CCC1	753947380	582777945	/nfs/dbraw/zinc/77/79/45/582777945.db2.gz	DAGUDKXMUICIQM-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
Cc1ccc(N(C)C[C@H]2C[C@H]2C)cc1	754141641	582779870	/nfs/dbraw/zinc/77/98/70/582779870.db2.gz	FGBYSFDPRRQWAI-VXGBXAGGSA-N	0	0	189.302	3.087	10	0		AGAERN
Cc1ccc(N(C)C[C@H]2C[C@@H]2C)cc1	754141638	582779164	/nfs/dbraw/zinc/77/91/64/582779164.db2.gz	FGBYSFDPRRQWAI-NWDGAFQWSA-N	0	0	189.302	3.087	10	0		AGAERN
Cc1ccc(N(C)C[C@@H]2C[C@H]2C)cc1	754141611	582779614	/nfs/dbraw/zinc/77/96/14/582779614.db2.gz	FGBYSFDPRRQWAI-NEPJUHHUSA-N	0	0	189.302	3.087	10	0		AGAERN
CC[C@@H](C)OC(=O)C(C)=C1CCCC1	754160684	582779651	/nfs/dbraw/zinc/77/96/51/582779651.db2.gz	FRXCVJSTSMOFMG-SECBINFHSA-N	0	0	196.290	3.219	10	0		AGAERN
Cc1ccc(N(C)C[C@@H]2C[C@@H]2C)cc1	754141639	582779811	/nfs/dbraw/zinc/77/98/11/582779811.db2.gz	FGBYSFDPRRQWAI-RYUDHWBXSA-N	0	0	189.302	3.087	10	0		AGAERN
CCCCOC(=O)C(C)=C1CCCC1	754159839	582779829	/nfs/dbraw/zinc/77/98/29/582779829.db2.gz	AKVRFPAZJWNWTE-UHFFFAOYSA-N	0	0	196.290	3.220	10	0		AGAERN
CC[C@H](C)OC(=O)C(C)=C1CCCC1	754160685	582780012	/nfs/dbraw/zinc/78/00/12/582780012.db2.gz	FRXCVJSTSMOFMG-VIFPVBQESA-N	0	0	196.290	3.219	10	0		AGAERN
CCCC1(C(=O)OC(CC)CC)CC1	754840746	582782740	/nfs/dbraw/zinc/78/27/40/582782740.db2.gz	CKIZRCPLRUBGAZ-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
CCC(CC)OC(=O)C1(CC)CCC1	754831092	582783183	/nfs/dbraw/zinc/78/31/83/582783183.db2.gz	GDYINCILPWIXDN-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
CC(C)C[C@@H](C)OC(=O)C=C1CCC1	756241708	582791177	/nfs/dbraw/zinc/79/11/77/582791177.db2.gz	FZIWXLUKWOIKPG-SNVBAGLBSA-N	0	0	196.290	3.075	10	0		AGAERN
CC(C)C[C@H](C)OC(=O)C=C1CCC1	756241706	582791706	/nfs/dbraw/zinc/79/17/06/582791706.db2.gz	FZIWXLUKWOIKPG-JTQLQIEISA-N	0	0	196.290	3.075	10	0		AGAERN
CCCCCCOC(=O)C=C1CCC1	756238463	582791655	/nfs/dbraw/zinc/79/16/55/582791655.db2.gz	DMDUNGWFJRSGFC-UHFFFAOYSA-N	0	0	196.290	3.220	10	0		AGAERN
CCC(C)(C)COC(=O)C=C1CCC1	756298767	582792539	/nfs/dbraw/zinc/79/25/39/582792539.db2.gz	WNNAQEVMVSSNNJ-UHFFFAOYSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC1(C(=O)OC2CCC2)CCCC1	757315860	582795012	/nfs/dbraw/zinc/79/50/12/582795012.db2.gz	LRJGPKVHWKZFRE-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
CC(C)(C)CCC(=O)OC1(C)CCC1	757918729	582797355	/nfs/dbraw/zinc/79/73/55/582797355.db2.gz	HBNOTBPTYDWLKA-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
CC(C)(C)/C=C/C(=O)OC1(C)CCC1	757919738	582797390	/nfs/dbraw/zinc/79/73/90/582797390.db2.gz	XKCCZNPPYRSHBC-RMKNXTFCSA-N	0	0	196.290	3.075	10	0		AGAERN
CC(C)(C)/C=C\C(=O)OC1(C)CCC1	757919739	582797605	/nfs/dbraw/zinc/79/76/05/582797605.db2.gz	XKCCZNPPYRSHBC-TWGQIWQCSA-N	0	0	196.290	3.075	10	0		AGAERN
CCCOC(=O)C(C)(C)C1CCCC1	757836423	582797640	/nfs/dbraw/zinc/79/76/40/582797640.db2.gz	FNSDVOROVUXBDN-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC/C(C)=C\C(=O)OC1(C)CCC1	757922003	582797860	/nfs/dbraw/zinc/79/78/60/582797860.db2.gz	BUVLKICDZSGQMK-KTKRTIGZSA-N	0	0	196.290	3.219	10	0		AGAERN
CCC/C(C)=C/C(=O)OC1(C)CCC1	757922004	582797921	/nfs/dbraw/zinc/79/79/21/582797921.db2.gz	BUVLKICDZSGQMK-MDZDMXLPSA-N	0	0	196.290	3.219	10	0		AGAERN
CC1(OC(=O)CCC2CCC2)CCC1	757921835	582797990	/nfs/dbraw/zinc/79/79/90/582797990.db2.gz	ZCBVJJXGXMJUEL-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
CCC(C)(C)CC(=O)OC1(C)CCC1	757922035	582798058	/nfs/dbraw/zinc/79/80/58/582798058.db2.gz	FIXOFMMAILUUSI-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
CCCCCCC(=O)OC1(C)CCC1	757924700	582798156	/nfs/dbraw/zinc/79/81/56/582798156.db2.gz	ROXKBIVKAASNEB-UHFFFAOYSA-N	0	0	198.306	3.443	10	0		AGAERN
CC(C)CCC(=O)OC1(C)CCCC1	758351154	582798807	/nfs/dbraw/zinc/79/88/07/582798807.db2.gz	MXKHRKLYKWVHGO-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
CC1(OC(=O)C2CCCC2)CCCC1	758352259	582798992	/nfs/dbraw/zinc/79/89/92/582798992.db2.gz	XKELNPDGIKOCII-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
CC(C)(C)CC(=O)OC1(C)CCCC1	758352279	582799221	/nfs/dbraw/zinc/79/92/21/582799221.db2.gz	YDQGFKBBHXOPST-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
CCCCCC(=O)OC1(C)CCCC1	758351869	582799440	/nfs/dbraw/zinc/79/94/40/582799440.db2.gz	SWNURKIILGRZIW-UHFFFAOYSA-N	0	0	198.306	3.443	10	0		AGAERN
CCCC[C@@H](C)OC(=O)C1CC=CC1	763537628	582818876	/nfs/dbraw/zinc/81/88/76/582818876.db2.gz	GHCUNZXMQJFSQT-SNVBAGLBSA-N	0	0	196.290	3.075	10	0		AGAERN
CCCCCCOC(=O)CC1(C)CC1	758807279	582800215	/nfs/dbraw/zinc/80/02/15/582800215.db2.gz	HSPZGUQCUWLTQS-UHFFFAOYSA-N	0	0	198.306	3.300	10	0		AGAERN
CC[C@H](C)OC(=O)C[C@H]1CC[C@H](C)C1	759415521	582802686	/nfs/dbraw/zinc/80/26/86/582802686.db2.gz	BOZSZGPVRATDRX-DCAQKATOSA-N	0	0	198.306	3.154	10	0		AGAERN
CC[C@H](C)OC(=O)C[C@H]1CC[C@@H](C)C1	759415524	582802703	/nfs/dbraw/zinc/80/27/03/582802703.db2.gz	BOZSZGPVRATDRX-VWYCJHECSA-N	0	0	198.306	3.154	10	0		AGAERN
CC[C@H](C)OC(=O)C[C@@H]1CC[C@@H](C)C1	759415523	582803051	/nfs/dbraw/zinc/80/30/51/582803051.db2.gz	BOZSZGPVRATDRX-OUAUKWLOSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC(CC)CC(=O)OCCC1CC1	759412289	582803199	/nfs/dbraw/zinc/80/31/99/582803199.db2.gz	GXWNUAKQGKAJIZ-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CC[C@H](C)OC(=O)C[C@@H]1CC[C@H](C)C1	759415522	582803324	/nfs/dbraw/zinc/80/33/24/582803324.db2.gz	BOZSZGPVRATDRX-GARJFASQSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC(CC)CC(=O)O[C@@H](C)C1CC1	759545950	582803785	/nfs/dbraw/zinc/80/37/85/582803785.db2.gz	HSRUZSDBAWTXAC-VIFPVBQESA-N	0	0	198.306	3.154	10	0		AGAERN
CC1(CC(=O)OC2(C)CCCC2)CC1	759574202	582803847	/nfs/dbraw/zinc/80/38/47/582803847.db2.gz	SMGGQROUTIFIGV-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
CCC(CC)CC(=O)OC[C@H]1C[C@H]1C	759555888	582803858	/nfs/dbraw/zinc/80/38/58/582803858.db2.gz	YZAWYDJVWUPRKO-MWLCHTKSSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC(=CC(=O)O[C@@H](C)C1CC1)CC	759546859	582803962	/nfs/dbraw/zinc/80/39/62/582803962.db2.gz	WPFFPTLCHGCWPY-VIFPVBQESA-N	0	0	196.290	3.075	10	0		AGAERN
CCC(=CC(=O)OC1(C)CCC1)CC	759562352	582803980	/nfs/dbraw/zinc/80/39/80/582803980.db2.gz	OQQYRUJIPBLGCP-UHFFFAOYSA-N	0	0	196.290	3.219	10	0		AGAERN
CCC(CC)CC(=O)OC[C@@H]1C[C@H]1C	759555886	582804022	/nfs/dbraw/zinc/80/40/22/582804022.db2.gz	YZAWYDJVWUPRKO-KOLCDFICSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC(CC)CC(=O)OC[C@H]1C[C@@H]1C	759555884	582804106	/nfs/dbraw/zinc/80/41/06/582804106.db2.gz	YZAWYDJVWUPRKO-GXSJLCMTSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC(CC)CC(=O)OC1(C)CCC1	759561664	582804175	/nfs/dbraw/zinc/80/41/75/582804175.db2.gz	FBBMFYKMFPQOTP-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
CCC(CC)CC(=O)OC[C@@H]1C[C@@H]1C	759555890	582804179	/nfs/dbraw/zinc/80/41/79/582804179.db2.gz	YZAWYDJVWUPRKO-ONGXEEELSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC(C)(C)COC(=O)CC1(C)CC1	759551513	582804190	/nfs/dbraw/zinc/80/41/90/582804190.db2.gz	WQORNMJUTWFYPG-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCCC1(C(=O)OC2CCC2)CCC1	759565370	582804196	/nfs/dbraw/zinc/80/41/96/582804196.db2.gz	XTPLTCMXPWEKPI-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
CCC[C@@H](C)COC(=O)CC1(C)CC1	759690212	582804418	/nfs/dbraw/zinc/80/44/18/582804418.db2.gz	XCFOOYANOUEHGK-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC[C@H](C)COC(=O)CC1(C)CC1	759690209	582805146	/nfs/dbraw/zinc/80/51/46/582805146.db2.gz	XCFOOYANOUEHGK-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
C/C(=C/C(C)(C)C)C(=O)OC1CCC1	774136474	582857684	/nfs/dbraw/zinc/85/76/84/582857684.db2.gz	BNQPNCVEHOCINZ-HJWRWDBZSA-N	0	0	196.290	3.075	10	0		AGAERN
CC1(C(=O)OC2CCCCCC2)CC1	760233923	582806724	/nfs/dbraw/zinc/80/67/24/582806724.db2.gz	CDZOISBWJPGAOO-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
C/C=C(\C)C(=O)OCC1(C)CCCC1	761015802	582809111	/nfs/dbraw/zinc/80/91/11/582809111.db2.gz	MXBUBPTZTIYGML-ONNFQVAWSA-N	0	0	196.290	3.076	10	0		AGAERN
CC/C=C/COC(=O)C1(CCC)CC1	761075985	582809472	/nfs/dbraw/zinc/80/94/72/582809472.db2.gz	TWDJBRBMFLBVCZ-AATRIKPKSA-N	0	0	196.290	3.076	10	0		AGAERN
CC/C=C\COC(=O)C1(CCC)CC1	761075987	582809552	/nfs/dbraw/zinc/80/95/52/582809552.db2.gz	TWDJBRBMFLBVCZ-WAYWQWQTSA-N	0	0	196.290	3.076	10	0		AGAERN
CCCC1(C(=O)OCC(C)(C)C)CC1	761135908	582811303	/nfs/dbraw/zinc/81/13/03/582811303.db2.gz	OCGLGPDDLNDEKN-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCCC(=O)OCC1(C)CCCCC1	761306016	582812093	/nfs/dbraw/zinc/81/20/93/582812093.db2.gz	VKPNLMOEVFTAAL-UHFFFAOYSA-N	0	0	198.306	3.300	10	0		AGAERN
CCC(CC)(CC)C(=O)OC1CCC1	761237483	582812478	/nfs/dbraw/zinc/81/24/78/582812478.db2.gz	VUYPHELGJVXXBV-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
CCC(C)(C)COC(=O)C1=CCCC1	761233004	582812506	/nfs/dbraw/zinc/81/25/06/582812506.db2.gz	GAQXHDFDVJEFKY-UHFFFAOYSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC(CC)OC(=O)C[C@H]1C=CCC1	762116248	582814181	/nfs/dbraw/zinc/81/41/81/582814181.db2.gz	QYESTTDCTGVHCB-JTQLQIEISA-N	0	0	196.290	3.075	10	0		AGAERN
CCC(CC)[C@H](C)C(=O)OC1CCC1	762072164	582814459	/nfs/dbraw/zinc/81/44/59/582814459.db2.gz	PAPPIXJMFOULTI-VIFPVBQESA-N	0	0	198.306	3.154	10	0		AGAERN
CCC(CC)OC(=O)C[C@@H]1C=CCC1	762116250	582814461	/nfs/dbraw/zinc/81/44/61/582814461.db2.gz	QYESTTDCTGVHCB-SNVBAGLBSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC(CC)OC(=O)C=C1CCCC1	762110266	582814477	/nfs/dbraw/zinc/81/44/77/582814477.db2.gz	HVEDSVACQGWQGQ-UHFFFAOYSA-N	0	0	196.290	3.219	10	0		AGAERN
CCC(CC)[C@@H](C)C(=O)OC1CCC1	762072162	582814389	/nfs/dbraw/zinc/81/43/89/582814389.db2.gz	PAPPIXJMFOULTI-SECBINFHSA-N	0	0	198.306	3.154	10	0		AGAERN
CCCC[C@H](C)OC(=O)[C@@H](C)C1CC1	763535913	582819423	/nfs/dbraw/zinc/81/94/23/582819423.db2.gz	LQKDVQOWSFOPEN-UWVGGRQHSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)[C@@H](C)OC(=O)C=C1CCCC1	763555375	582819427	/nfs/dbraw/zinc/81/94/27/582819427.db2.gz	WPCUSHYGBRBSRL-SNVBAGLBSA-N	0	0	196.290	3.075	10	0		AGAERN
CCCC[C@@H](C)OC(=O)c1ccoc1	763535173	582818982	/nfs/dbraw/zinc/81/89/82/582818982.db2.gz	INSLMKMOJCDGSF-SECBINFHSA-N	0	0	196.246	3.015	10	0		AGAERN
CC(C)[C@@H](C)OC(=O)/C=C\C(C)(C)C	763548571	582818996	/nfs/dbraw/zinc/81/89/96/582818996.db2.gz	PJJMBXAXIWZVCK-GQYWMQPJSA-N	0	0	198.306	3.176	10	0		AGAERN
CCCC[C@@H](C)OC(=O)/C=C\C1CC1	763538575	582819022	/nfs/dbraw/zinc/81/90/22/582819022.db2.gz	OSEONQGWUDFUOT-HSTULFTRSA-N	0	0	196.290	3.075	10	0		AGAERN
CC(C)[C@H](C)OC(=O)C=C1CCCC1	763555373	582819055	/nfs/dbraw/zinc/81/90/55/582819055.db2.gz	WPCUSHYGBRBSRL-JTQLQIEISA-N	0	0	196.290	3.075	10	0		AGAERN
CC(C)[C@@H](C)OC(=O)CCC1CCC1	763555336	582819058	/nfs/dbraw/zinc/81/90/58/582819058.db2.gz	WCOLIZBCAZRSFU-SNVBAGLBSA-N	0	0	198.306	3.154	10	0		AGAERN
CCCC[C@@H](C)OC(=O)C1(C)CCC1	763535935	582819062	/nfs/dbraw/zinc/81/90/62/582819062.db2.gz	LWMIVKOPHFTNAQ-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
CCCC[C@@H](C)OC(=O)/C=C/C1CC1	763538569	582819069	/nfs/dbraw/zinc/81/90/69/582819069.db2.gz	OSEONQGWUDFUOT-AAXQSMANSA-N	0	0	196.290	3.075	10	0		AGAERN
CC(C)[C@@H](C)OC(=O)/C=C/C(C)(C)C	763548575	582819078	/nfs/dbraw/zinc/81/90/78/582819078.db2.gz	PJJMBXAXIWZVCK-QROSGCPLSA-N	0	0	198.306	3.176	10	0		AGAERN
CCCC[C@@H](C)OC(=O)[C@@H](C)C1CC1	763535916	582819129	/nfs/dbraw/zinc/81/91/29/582819129.db2.gz	LQKDVQOWSFOPEN-ZJUUUORDSA-N	0	0	198.306	3.154	10	0		AGAERN
CCCC[C@H](C)OC(=O)C1(CC)CC1	763543474	582819145	/nfs/dbraw/zinc/81/91/45/582819145.db2.gz	LAVYBEGKLJRTRG-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
CCCC[C@H](C)OC(=O)[C@H](C)C1CC1	763535915	582819176	/nfs/dbraw/zinc/81/91/76/582819176.db2.gz	LQKDVQOWSFOPEN-VHSXEESVSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)[C@H](C)OC(=O)C[C@@H](C)C1CC1	763550773	582819207	/nfs/dbraw/zinc/81/92/07/582819207.db2.gz	MOVLMXIHPFOGRE-ZJUUUORDSA-N	0	0	198.306	3.010	10	0		AGAERN
CCCC[C@H](C)OC(=O)/C=C\C1CC1	763538576	582819216	/nfs/dbraw/zinc/81/92/16/582819216.db2.gz	OSEONQGWUDFUOT-QROTZFDESA-N	0	0	196.290	3.075	10	0		AGAERN
CC(C)[C@@H](C)OC(=O)CC1CCCC1	763549210	582819231	/nfs/dbraw/zinc/81/92/31/582819231.db2.gz	TXGPMNHQRVTPJU-SNVBAGLBSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC1(C(=O)O[C@H](C)C(C)C)CCC1	763554723	582819252	/nfs/dbraw/zinc/81/92/52/582819252.db2.gz	WWADFYGLYCUSEO-SNVBAGLBSA-N	0	0	198.306	3.154	10	0		AGAERN
CCCC[C@@H](C)OC(=O)CC1CCC1	763539834	582819267	/nfs/dbraw/zinc/81/92/67/582819267.db2.gz	XBDIPDGSQXPWCX-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
CCCC[C@H](C)OC(=O)C1(C)CCC1	763535933	582819271	/nfs/dbraw/zinc/81/92/71/582819271.db2.gz	LWMIVKOPHFTNAQ-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
CCC1(C(=O)O[C@@H](C)C(C)C)CCC1	763554722	582819275	/nfs/dbraw/zinc/81/92/75/582819275.db2.gz	WWADFYGLYCUSEO-JTQLQIEISA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)[C@H](C)OC(=O)CC1CCCC1	763549208	582819294	/nfs/dbraw/zinc/81/92/94/582819294.db2.gz	TXGPMNHQRVTPJU-JTQLQIEISA-N	0	0	198.306	3.154	10	0		AGAERN
CCCC[C@@H](C)OC(=O)CCC1CC1	763538999	582819316	/nfs/dbraw/zinc/81/93/16/582819316.db2.gz	PXQIZMOVFPZRDZ-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
CCCC[C@@H](C)OC(=O)[C@H](C)C1CC1	763535912	582819324	/nfs/dbraw/zinc/81/93/24/582819324.db2.gz	LQKDVQOWSFOPEN-NXEZZACHSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)[C@H](C)OC(=O)/C=C/C(C)(C)C	763548574	582819400	/nfs/dbraw/zinc/81/94/00/582819400.db2.gz	PJJMBXAXIWZVCK-JARNTUPDSA-N	0	0	198.306	3.176	10	0		AGAERN
CC(C)[C@@H](C)OC(=O)C[C@H](C)C1CC1	763550772	582819387	/nfs/dbraw/zinc/81/93/87/582819387.db2.gz	MOVLMXIHPFOGRE-VHSXEESVSA-N	0	0	198.306	3.010	10	0		AGAERN
CCCC[C@H](C)OC(=O)c1ccoc1	763535175	582819401	/nfs/dbraw/zinc/81/94/01/582819401.db2.gz	INSLMKMOJCDGSF-VIFPVBQESA-N	0	0	196.246	3.015	10	0		AGAERN
CCCC[C@H](C)OC(=O)CCC1CC1	763538997	582819406	/nfs/dbraw/zinc/81/94/06/582819406.db2.gz	PXQIZMOVFPZRDZ-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
CCCC[C@H](C)OC(=O)C1CC=CC1	763537627	582819464	/nfs/dbraw/zinc/81/94/64/582819464.db2.gz	GHCUNZXMQJFSQT-JTQLQIEISA-N	0	0	196.290	3.075	10	0		AGAERN
CC(C)[C@H](C)OC(=O)/C=C\C(C)(C)C	763548570	582819487	/nfs/dbraw/zinc/81/94/87/582819487.db2.gz	PJJMBXAXIWZVCK-DMEOUFDRSA-N	0	0	198.306	3.176	10	0		AGAERN
CCCC[C@H](C)OC(=O)/C=C/C1CC1	763538570	582819499	/nfs/dbraw/zinc/81/94/99/582819499.db2.gz	OSEONQGWUDFUOT-DDXVTDLHSA-N	0	0	196.290	3.075	10	0		AGAERN
CC(C)[C@@H](C)OC(=O)C[C@@H](C)C1CC1	763550332	582819561	/nfs/dbraw/zinc/81/95/61/582819561.db2.gz	MOVLMXIHPFOGRE-NXEZZACHSA-N	0	0	198.306	3.010	10	0		AGAERN
CC(C)[C@H](C)OC(=O)C[C@H](C)C1CC1	763550764	582819565	/nfs/dbraw/zinc/81/95/65/582819565.db2.gz	MOVLMXIHPFOGRE-UWVGGRQHSA-N	0	0	198.306	3.010	10	0		AGAERN
CC(C)c1ccc(N(C)CCF)cc1	763632643	582819589	/nfs/dbraw/zinc/81/95/89/582819589.db2.gz	FUWDNULAZACAIK-UHFFFAOYSA-N	0	0	195.281	3.216	10	0		AGAERN
CCCC[C@H](C)OC(=O)C=C1CCC1	763543552	582819727	/nfs/dbraw/zinc/81/97/27/582819727.db2.gz	MMUGVSHYKOROPX-JTQLQIEISA-N	0	0	196.290	3.219	10	0		AGAERN
CCCC[C@@H](C)OC(=O)C1(CC)CC1	763543477	582819709	/nfs/dbraw/zinc/81/97/09/582819709.db2.gz	LAVYBEGKLJRTRG-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
CCCC[C@H](C)OC(=O)CC1CCC1	763539832	582819724	/nfs/dbraw/zinc/81/97/24/582819724.db2.gz	XBDIPDGSQXPWCX-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
CC(C)[C@H](C)OC(=O)CCC1CCC1	763555333	582819752	/nfs/dbraw/zinc/81/97/52/582819752.db2.gz	WCOLIZBCAZRSFU-JTQLQIEISA-N	0	0	198.306	3.154	10	0		AGAERN
CCCC[C@@H](C)OC(=O)C=C1CCC1	763543555	582819755	/nfs/dbraw/zinc/81/97/55/582819755.db2.gz	MMUGVSHYKOROPX-SNVBAGLBSA-N	0	0	196.290	3.219	10	0		AGAERN
CCC/C=C/C(=O)OCC1(C)CCC1	764121050	582820982	/nfs/dbraw/zinc/82/09/82/582820982.db2.gz	OYYMFLJMIJEEFW-FNORWQNLSA-N	0	0	196.290	3.076	10	0		AGAERN
C/C=C(/CC)C(=O)OCC1(C)CCC1	764125241	582821052	/nfs/dbraw/zinc/82/10/52/582821052.db2.gz	NIHYNZGCCZEWBK-WMZJFQQLSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC[C@H](C)C(=O)OCC1(C)CCC1	764114200	582821056	/nfs/dbraw/zinc/82/10/56/582821056.db2.gz	CGAKXOWIGUZFJJ-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
CCC(C)(C)C(=O)OCC1(C)CCC1	764097468	582821075	/nfs/dbraw/zinc/82/10/75/582821075.db2.gz	ITNVMVQTGTUCIP-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC/C=C\C(=O)OCC1(C)CCC1	764121049	582821181	/nfs/dbraw/zinc/82/11/81/582821181.db2.gz	OYYMFLJMIJEEFW-ALCCZGGFSA-N	0	0	196.290	3.076	10	0		AGAERN
CC/C=C(/C)C(=O)OCC1(C)CCC1	764116258	582821301	/nfs/dbraw/zinc/82/13/01/582821301.db2.gz	AVFCWHLEPMGOCL-POHAHGRESA-N	0	0	196.290	3.076	10	0		AGAERN
CC[C@@H](C)CC(=O)OCC1(C)CCC1	764101494	582821308	/nfs/dbraw/zinc/82/13/08/582821308.db2.gz	OZFGZBHSRNJGJM-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
CC(C)[C@@H](C)C(=O)OCC1(C)CCC1	764121059	582821319	/nfs/dbraw/zinc/82/13/19/582821319.db2.gz	PFAGIDYRGQLNSP-SNVBAGLBSA-N	0	0	198.306	3.012	10	0		AGAERN
C/C=C(\CC)C(=O)OCC1(C)CCC1	764125240	582821337	/nfs/dbraw/zinc/82/13/37/582821337.db2.gz	NIHYNZGCCZEWBK-ONNFQVAWSA-N	0	0	196.290	3.076	10	0		AGAERN
CC(C)(C)CC(=O)OCC1(C)CCC1	764116823	582821385	/nfs/dbraw/zinc/82/13/85/582821385.db2.gz	SAEJWNBBKWIUCV-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CC(C)[C@H](C)C(=O)OCC1(C)CCC1	764121058	582821443	/nfs/dbraw/zinc/82/14/43/582821443.db2.gz	PFAGIDYRGQLNSP-JTQLQIEISA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)CCC(=O)OCC1(C)CCC1	764120966	582821479	/nfs/dbraw/zinc/82/14/79/582821479.db2.gz	MZXCOJRCYSOKJP-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCCCCC(=O)OCC1(C)CCC1	764125735	582821545	/nfs/dbraw/zinc/82/15/45/582821545.db2.gz	RITFCYZHNYMERW-UHFFFAOYSA-N	0	0	198.306	3.300	10	0		AGAERN
CCC[C@@H](C)C(=O)OCC1(C)CCC1	764114202	582821600	/nfs/dbraw/zinc/82/16/00/582821600.db2.gz	CGAKXOWIGUZFJJ-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC(CC)C(=O)OCC1(C)CCC1	764130646	582821621	/nfs/dbraw/zinc/82/16/21/582821621.db2.gz	XLOUSLQDYHYPOC-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CC/C=C(\C)C(=O)OCC1(C)CCC1	764116260	582821664	/nfs/dbraw/zinc/82/16/64/582821664.db2.gz	AVFCWHLEPMGOCL-UXBLZVDNSA-N	0	0	196.290	3.076	10	0		AGAERN
CC[C@H](C)CC(=O)OCC1(C)CCC1	764101493	582821683	/nfs/dbraw/zinc/82/16/83/582821683.db2.gz	OZFGZBHSRNJGJM-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
CCC[C@H](C)C(=O)OCCC1(C)CC1	764230007	582821919	/nfs/dbraw/zinc/82/19/19/582821919.db2.gz	AQVFVWOOQAZLHX-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
CC[C@@H](C)CC(=O)OCCC1(C)CC1	764222836	582821968	/nfs/dbraw/zinc/82/19/68/582821968.db2.gz	GASMZSLXHPGDPD-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC(C)(C)C(=O)OCCC1(C)CC1	764228088	582822008	/nfs/dbraw/zinc/82/20/08/582822008.db2.gz	IIYNNXDSLORAII-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CC(C)[C@H](C)C(=O)OCCC1(C)CC1	764240367	582822136	/nfs/dbraw/zinc/82/21/36/582822136.db2.gz	PGWHTWDKGSLKMP-JTQLQIEISA-N	0	0	198.306	3.012	10	0		AGAERN
C[C@H](OC(=O)[C@@H](C)C(C)(C)C)C1CC1	764390212	582822153	/nfs/dbraw/zinc/82/21/53/582822153.db2.gz	FASZKRMSKLSZSR-BDAKNGLRSA-N	0	0	198.306	3.010	10	0		AGAERN
C[C@H](OC(=O)[C@H](C)C(C)(C)C)C1CC1	764390214	582822170	/nfs/dbraw/zinc/82/21/70/582822170.db2.gz	FASZKRMSKLSZSR-IUCAKERBSA-N	0	0	198.306	3.010	10	0		AGAERN
CC(C)[C@@H](C)C(=O)OCCC1(C)CC1	764240368	582822184	/nfs/dbraw/zinc/82/21/84/582822184.db2.gz	PGWHTWDKGSLKMP-SNVBAGLBSA-N	0	0	198.306	3.012	10	0		AGAERN
CC/C=C(/C)C(=O)OCCC1(C)CC1	764228734	582822255	/nfs/dbraw/zinc/82/22/55/582822255.db2.gz	POAMYRPRDGACQM-YHYXMXQVSA-N	0	0	196.290	3.076	10	0		AGAERN
CC[C@H](C)CC(=O)OCCC1(C)CC1	764222835	582822374	/nfs/dbraw/zinc/82/23/74/582822374.db2.gz	GASMZSLXHPGDPD-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
CCC/C=C\C(=O)OCCC1(C)CC1	764239576	582822389	/nfs/dbraw/zinc/82/23/89/582822389.db2.gz	HOPXAKFLXGFXIU-WAYWQWQTSA-N	0	0	196.290	3.076	10	0		AGAERN
CC(C)CCC(=O)OCCC1(C)CC1	764240576	582822443	/nfs/dbraw/zinc/82/24/43/582822443.db2.gz	RQWMVMFJGDYSAL-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCCCCC(=O)OCCC1(C)CC1	764253922	582822480	/nfs/dbraw/zinc/82/24/80/582822480.db2.gz	OGYGLYANMPUGFU-UHFFFAOYSA-N	0	0	198.306	3.300	10	0		AGAERN
C/C=C(\CC)C(=O)OCCC1(C)CC1	764250395	582822513	/nfs/dbraw/zinc/82/25/13/582822513.db2.gz	ASLANDXYWRWJCU-ONNFQVAWSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC[C@@H](C)C(=O)OCCC1(C)CC1	764230008	582822529	/nfs/dbraw/zinc/82/25/29/582822529.db2.gz	AQVFVWOOQAZLHX-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
C/C=C(/CC)C(=O)OCCC1(C)CC1	764250399	582822531	/nfs/dbraw/zinc/82/25/31/582822531.db2.gz	ASLANDXYWRWJCU-WMZJFQQLSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC(CC)C(=O)OCCC1(C)CC1	764253386	582822625	/nfs/dbraw/zinc/82/26/25/582822625.db2.gz	MXCIWTKIJYRXTK-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC/C=C/C(=O)OCCC1(C)CC1	764239575	582822654	/nfs/dbraw/zinc/82/26/54/582822654.db2.gz	HOPXAKFLXGFXIU-AATRIKPKSA-N	0	0	196.290	3.076	10	0		AGAERN
CC/C=C(\C)C(=O)OCCC1(C)CC1	764228733	582822748	/nfs/dbraw/zinc/82/27/48/582822748.db2.gz	POAMYRPRDGACQM-BJMVGYQFSA-N	0	0	196.290	3.076	10	0		AGAERN
CCCOC(=O)C1(CC)CCCCC1	764672480	582823595	/nfs/dbraw/zinc/82/35/95/582823595.db2.gz	HCLONERTELHGBM-UHFFFAOYSA-N	0	0	198.306	3.300	10	0		AGAERN
CCC[C@@H](C(=O)OC1CCC1)C(C)C	764663095	582823688	/nfs/dbraw/zinc/82/36/88/582823688.db2.gz	LHKVNXIWQUKLLN-LLVKDONJSA-N	0	0	198.306	3.154	10	0		AGAERN
CCCCC(=O)O[C@@H](C)c1ccco1	764796065	582823867	/nfs/dbraw/zinc/82/38/67/582823867.db2.gz	NIOXNCGACDQBOG-VIFPVBQESA-N	0	0	196.246	3.074	10	0		AGAERN
CCCCC(=O)O[C@H](C)c1ccco1	764794399	582824118	/nfs/dbraw/zinc/82/41/18/582824118.db2.gz	NIOXNCGACDQBOG-SECBINFHSA-N	0	0	196.246	3.074	10	0		AGAERN
CCC[C@H](C(=O)OC1CCC1)C(C)C	764663098	582824142	/nfs/dbraw/zinc/82/41/42/582824142.db2.gz	LHKVNXIWQUKLLN-NSHDSACASA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)C[C@@H](C)C(=O)OC1CCCC1	764953083	582824834	/nfs/dbraw/zinc/82/48/34/582824834.db2.gz	DWKVDLMZJFTEJE-SNVBAGLBSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)C[C@H](C)C(=O)O[C@H](C)C1CC1	765095123	582824871	/nfs/dbraw/zinc/82/48/71/582824871.db2.gz	YFVQXXFXYQQDSX-VHSXEESVSA-N	0	0	198.306	3.010	10	0		AGAERN
CC(C)C[C@@H](C)C(=O)O[C@H](C)C1CC1	765095120	582824894	/nfs/dbraw/zinc/82/48/94/582824894.db2.gz	YFVQXXFXYQQDSX-NXEZZACHSA-N	0	0	198.306	3.010	10	0		AGAERN
CC(C)C[C@@H](C)C(=O)O[C@@H](C)C1CC1	765095126	582824936	/nfs/dbraw/zinc/82/49/36/582824936.db2.gz	YFVQXXFXYQQDSX-ZJUUUORDSA-N	0	0	198.306	3.010	10	0		AGAERN
CC(C)C[C@H](C)C(=O)O[C@@H](C)C1CC1	765095121	582825118	/nfs/dbraw/zinc/82/51/18/582825118.db2.gz	YFVQXXFXYQQDSX-UWVGGRQHSA-N	0	0	198.306	3.010	10	0		AGAERN
CC(C)=CCOC(=O)[C@H](C)CC(C)C	765612717	582826856	/nfs/dbraw/zinc/82/68/56/582826856.db2.gz	JLVNDEOGZABVAR-LLVKDONJSA-N	0	0	198.306	3.178	10	0		AGAERN
CC(C)=CCOC(=O)[C@@H](C)CC(C)C	765612718	582827026	/nfs/dbraw/zinc/82/70/26/582827026.db2.gz	JLVNDEOGZABVAR-NSHDSACASA-N	0	0	198.306	3.178	10	0		AGAERN
CCC[C@H](CC)OC(=O)c1ccco1	766405470	582828643	/nfs/dbraw/zinc/82/86/43/582828643.db2.gz	ZSYFKEFIWUBJQQ-VIFPVBQESA-N	0	0	196.246	3.015	10	0		AGAERN
CCC[C@H](CC)OC(=O)C1=CCCC1	766409481	582828645	/nfs/dbraw/zinc/82/86/45/582828645.db2.gz	PYIAUNHBKAPYTK-NSHDSACASA-N	0	0	196.290	3.219	10	0		AGAERN
CCC[C@@H](CC)OC(=O)c1ccoc1	766404375	582828161	/nfs/dbraw/zinc/82/81/61/582828161.db2.gz	SKMVFKVXTYAHEA-SNVBAGLBSA-N	0	0	196.246	3.015	10	0		AGAERN
CCC[C@H](CC)OC(=O)C1CC=CC1	766403301	582828229	/nfs/dbraw/zinc/82/82/29/582828229.db2.gz	OWGUOJCKEMYREA-NSHDSACASA-N	0	0	196.290	3.075	10	0		AGAERN
CCC[C@@H](CC)OC(=O)[C@H](C)C1CC1	766401621	582828329	/nfs/dbraw/zinc/82/83/29/582828329.db2.gz	GEASHYDFHSGWFP-MWLCHTKSSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC[C@@H](CC)OC(=O)C1(C)CCC1	766403766	582828334	/nfs/dbraw/zinc/82/83/34/582828334.db2.gz	QFUDFZCIEGWERJ-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
CCC[C@@H](CC)OC(=O)C1(CC)CC1	766403720	582828337	/nfs/dbraw/zinc/82/83/37/582828337.db2.gz	KZUSXJFPRLMDMB-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
CCC[C@H](CC)OC(=O)/C=C\C1CC1	766409103	582828351	/nfs/dbraw/zinc/82/83/51/582828351.db2.gz	KRMMMBGKWBDGMV-IQQGHNRFSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC[C@@H](CC)OC(=O)C1=CCCC1	766409479	582828439	/nfs/dbraw/zinc/82/84/39/582828439.db2.gz	PYIAUNHBKAPYTK-LLVKDONJSA-N	0	0	196.290	3.219	10	0		AGAERN
CCC[C@@H](CC)OC(=O)C1CC=CC1	766403299	582828468	/nfs/dbraw/zinc/82/84/68/582828468.db2.gz	OWGUOJCKEMYREA-LLVKDONJSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC[C@H](CC)OC(=O)CCC1CC1	766405456	582828495	/nfs/dbraw/zinc/82/84/95/582828495.db2.gz	ZGVQSUAYWKQSEG-NSHDSACASA-N	0	0	198.306	3.299	10	0		AGAERN
CCC[C@@H](CC)OC(=O)CCC1CC1	766405455	582828561	/nfs/dbraw/zinc/82/85/61/582828561.db2.gz	ZGVQSUAYWKQSEG-LLVKDONJSA-N	0	0	198.306	3.299	10	0		AGAERN
CCC[C@H](CC)OC(=O)CC1CCC1	766405437	582828538	/nfs/dbraw/zinc/82/85/38/582828538.db2.gz	YCMPCOBHFPYUKC-NSHDSACASA-N	0	0	198.306	3.299	10	0		AGAERN
CCC[C@H](CC)OC(=O)C1(C)CCC1	766403760	582828587	/nfs/dbraw/zinc/82/85/87/582828587.db2.gz	QFUDFZCIEGWERJ-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
CCC[C@H](CC)OC(=O)c1ccoc1	766404373	582828622	/nfs/dbraw/zinc/82/86/22/582828622.db2.gz	SKMVFKVXTYAHEA-JTQLQIEISA-N	0	0	196.246	3.015	10	0		AGAERN
CCC[C@@H](CC)OC(=O)C1CCCC1	766404921	582828630	/nfs/dbraw/zinc/82/86/30/582828630.db2.gz	VIVOJUOZXXQFRX-LLVKDONJSA-N	0	0	198.306	3.299	10	0		AGAERN
CCC[C@@H](CC)OC(=O)/C=C/C1CC1	766409101	582828651	/nfs/dbraw/zinc/82/86/51/582828651.db2.gz	KRMMMBGKWBDGMV-ANYFNZRUSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC[C@H](CC)OC(=O)[C@@H](C)C1CC1	766401624	582828672	/nfs/dbraw/zinc/82/86/72/582828672.db2.gz	GEASHYDFHSGWFP-ONGXEEELSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC[C@@H](CC)OC(=O)/C=C\C1CC1	766409104	582828680	/nfs/dbraw/zinc/82/86/80/582828680.db2.gz	KRMMMBGKWBDGMV-TYBABMIJSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC[C@H](CC)OC(=O)/C=C/C1CC1	766409102	582828691	/nfs/dbraw/zinc/82/86/91/582828691.db2.gz	KRMMMBGKWBDGMV-FBOQAHMBSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC[C@@H](CC)OC(=O)c1ccco1	766405469	582828696	/nfs/dbraw/zinc/82/86/96/582828696.db2.gz	ZSYFKEFIWUBJQQ-SECBINFHSA-N	0	0	196.246	3.015	10	0		AGAERN
CCC[C@H](CC)OC(=O)C1CCCC1	766404925	582828732	/nfs/dbraw/zinc/82/87/32/582828732.db2.gz	VIVOJUOZXXQFRX-NSHDSACASA-N	0	0	198.306	3.299	10	0		AGAERN
CCC[C@@H](CC)OC(=O)CC1CCC1	766405435	582828740	/nfs/dbraw/zinc/82/87/40/582828740.db2.gz	YCMPCOBHFPYUKC-LLVKDONJSA-N	0	0	198.306	3.299	10	0		AGAERN
CCC[C@H](CC)OC(=O)C=C1CCC1	766406104	582828814	/nfs/dbraw/zinc/82/88/14/582828814.db2.gz	YJPRGWCQMFXDDT-NSHDSACASA-N	0	0	196.290	3.219	10	0		AGAERN
CCC[C@@H](CC)OC(=O)[C@@H](C)C1CC1	766401615	582828824	/nfs/dbraw/zinc/82/88/24/582828824.db2.gz	GEASHYDFHSGWFP-GXSJLCMTSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC[C@H](CC)OC(=O)C1(CC)CC1	766403718	582828856	/nfs/dbraw/zinc/82/88/56/582828856.db2.gz	KZUSXJFPRLMDMB-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
CCC[C@H](CC)OC(=O)[C@H](C)C1CC1	766401618	582828879	/nfs/dbraw/zinc/82/88/79/582828879.db2.gz	GEASHYDFHSGWFP-KOLCDFICSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC[C@@H](CC)OC(=O)C=C1CCC1	766406103	582828886	/nfs/dbraw/zinc/82/88/86/582828886.db2.gz	YJPRGWCQMFXDDT-LLVKDONJSA-N	0	0	196.290	3.219	10	0		AGAERN
CCN(CCCF)c1ccc(C)cc1	766864055	582829217	/nfs/dbraw/zinc/82/92/17/582829217.db2.gz	MRVMAIJPFILHPB-UHFFFAOYSA-N	0	0	195.281	3.181	10	0		AGAERN
CC/C=C/CCOC(=O)C(C)=C(C)C	767565026	582832058	/nfs/dbraw/zinc/83/20/58/582832058.db2.gz	IALMWEZNBRTQRV-VOTSOKGWSA-N	0	0	196.290	3.242	10	0		AGAERN
CC/C=C\CCOC(=O)C(C)=C(C)C	767565025	582832522	/nfs/dbraw/zinc/83/25/22/582832522.db2.gz	IALMWEZNBRTQRV-SREVYHEPSA-N	0	0	196.290	3.242	10	0		AGAERN
CCC(C)(CC)C(=O)OC[C@@H]1C[C@H]1C	767966677	582833155	/nfs/dbraw/zinc/83/31/55/582833155.db2.gz	UMOXPRONOYBXKL-ZJUUUORDSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC(C)(CC)C(=O)OC[C@@H]1C[C@@H]1C	767966674	582833183	/nfs/dbraw/zinc/83/31/83/582833183.db2.gz	UMOXPRONOYBXKL-UWVGGRQHSA-N	0	0	198.306	3.012	10	0		AGAERN
CC/C=C/COC(=O)C(C)(CC)CC	767959669	582833185	/nfs/dbraw/zinc/83/31/85/582833185.db2.gz	VFJHFRTUVBCLQM-CMDGGOBGSA-N	0	0	198.306	3.322	10	0		AGAERN
CCC(C)(CC)C(=O)OC[C@H]1C[C@@H]1C	767966675	582833231	/nfs/dbraw/zinc/83/32/31/582833231.db2.gz	UMOXPRONOYBXKL-VHSXEESVSA-N	0	0	198.306	3.012	10	0		AGAERN
CC/C=C\COC(=O)C(C)(CC)CC	767959673	582833238	/nfs/dbraw/zinc/83/32/38/582833238.db2.gz	VFJHFRTUVBCLQM-HJWRWDBZSA-N	0	0	198.306	3.322	10	0		AGAERN
CCC(C)(CC)C(=O)OC[C@H]1C[C@H]1C	767966672	582833249	/nfs/dbraw/zinc/83/32/49/582833249.db2.gz	UMOXPRONOYBXKL-NXEZZACHSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC(CC)CCOC(=O)[C@H]1C[C@@H]1C	769307676	582839064	/nfs/dbraw/zinc/83/90/64/582839064.db2.gz	FBRWNQNXGZENFS-ONGXEEELSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)C(=O)O[C@@H]1CC[C@H](C)[C@H](C)C1	770997788	582843531	/nfs/dbraw/zinc/84/35/31/582843531.db2.gz	YJRZGTRMQBBBOV-HBNTYKKESA-N	0	0	198.306	3.010	10	0		AGAERN
CCCC(=O)O[C@@H]1CC[C@H](C)[C@@H](C)C1	770989102	582843609	/nfs/dbraw/zinc/84/36/09/582843609.db2.gz	HVVFSPOBVMYCMW-GARJFASQSA-N	0	0	198.306	3.154	10	0		AGAERN
CCCC(=O)O[C@@H]1CC[C@@H](C)[C@H](C)C1	770989105	582843642	/nfs/dbraw/zinc/84/36/42/582843642.db2.gz	HVVFSPOBVMYCMW-GMTAPVOTSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)C(=O)O[C@@H]1CC[C@H](C)[C@@H](C)C1	770997786	582843755	/nfs/dbraw/zinc/84/37/55/582843755.db2.gz	YJRZGTRMQBBBOV-GARJFASQSA-N	0	0	198.306	3.010	10	0		AGAERN
CC(C)C(=O)O[C@@H]1CC[C@@H](C)[C@@H](C)C1	770997789	582843968	/nfs/dbraw/zinc/84/39/68/582843968.db2.gz	YJRZGTRMQBBBOV-OUAUKWLOSA-N	0	0	198.306	3.010	10	0		AGAERN
CC(C)C(=O)O[C@@H]1CC[C@@H](C)[C@H](C)C1	770997787	582843972	/nfs/dbraw/zinc/84/39/72/582843972.db2.gz	YJRZGTRMQBBBOV-GMTAPVOTSA-N	0	0	198.306	3.010	10	0		AGAERN
CCCC(=O)O[C@@H]1CC[C@H](C)[C@H](C)C1	770989106	582844231	/nfs/dbraw/zinc/84/42/31/582844231.db2.gz	HVVFSPOBVMYCMW-HBNTYKKESA-N	0	0	198.306	3.154	10	0		AGAERN
CCCC(=O)O[C@@H]1CC[C@@H](C)[C@@H](C)C1	770989108	582844240	/nfs/dbraw/zinc/84/42/40/582844240.db2.gz	HVVFSPOBVMYCMW-OUAUKWLOSA-N	0	0	198.306	3.154	10	0		AGAERN
C/C=C/COC(=O)[C@H](C)CC(C)(C)C	772616121	582850888	/nfs/dbraw/zinc/85/08/88/582850888.db2.gz	OJFYKMJHCQCJNW-VQCYPWCPSA-N	0	0	198.306	3.178	10	0		AGAERN
CCC(CC)CCOC(=O)C1(C)CC1	772780123	582850921	/nfs/dbraw/zinc/85/09/21/582850921.db2.gz	FOJDTZJCGQGACI-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC[C@H](C)OC(=O)[C@@H]1C[C@@H]1C(C)C	772499889	582849685	/nfs/dbraw/zinc/84/96/85/582849685.db2.gz	PFCGPYSCNOFOIF-HBNTYKKESA-N	0	0	198.306	3.010	10	0		AGAERN
CCC(CC)OC(=O)[C@H]1C[C@@H]1C(C)C	772490840	582849723	/nfs/dbraw/zinc/84/97/23/582849723.db2.gz	MLRRIHBWNXTNDF-MNOVXSKESA-N	0	0	198.306	3.010	10	0		AGAERN
CCCCCOC(=O)[C@H]1C[C@@H]1C(C)C	772493206	582849805	/nfs/dbraw/zinc/84/98/05/582849805.db2.gz	DYZHJVIOHVZBPP-MNOVXSKESA-N	0	0	198.306	3.012	10	0		AGAERN
CCCCCOC(=O)[C@H]1C[C@H]1C(C)C	772493208	582849834	/nfs/dbraw/zinc/84/98/34/582849834.db2.gz	DYZHJVIOHVZBPP-QWRGUYRKSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC(CC)OC(=O)[C@@H]1C[C@H]1C(C)C	772490842	582850109	/nfs/dbraw/zinc/85/01/09/582850109.db2.gz	MLRRIHBWNXTNDF-WDEREUQCSA-N	0	0	198.306	3.010	10	0		AGAERN
CCCCCOC(=O)[C@@H]1C[C@H]1C(C)C	772493211	582850110	/nfs/dbraw/zinc/85/01/10/582850110.db2.gz	DYZHJVIOHVZBPP-WDEREUQCSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC(CC)OC(=O)[C@@H]1C[C@@H]1C(C)C	772490825	582850249	/nfs/dbraw/zinc/85/02/49/582850249.db2.gz	MLRRIHBWNXTNDF-GHMZBOCLSA-N	0	0	198.306	3.010	10	0		AGAERN
CCC(CC)OC(=O)[C@H]1C[C@H]1C(C)C	772490841	582850272	/nfs/dbraw/zinc/85/02/72/582850272.db2.gz	MLRRIHBWNXTNDF-QWRGUYRKSA-N	0	0	198.306	3.010	10	0		AGAERN
CCC[C@H](C)OC(=O)[C@H]1C[C@H]1C(C)C	772499885	582850319	/nfs/dbraw/zinc/85/03/19/582850319.db2.gz	PFCGPYSCNOFOIF-DCAQKATOSA-N	0	0	198.306	3.010	10	0		AGAERN
CCC[C@H](C)OC(=O)[C@@H]1C[C@H]1C(C)C	772499887	582850351	/nfs/dbraw/zinc/85/03/51/582850351.db2.gz	PFCGPYSCNOFOIF-GARJFASQSA-N	0	0	198.306	3.010	10	0		AGAERN
CCCCCOC(=O)[C@@H]1C[C@@H]1C(C)C	772493204	582850394	/nfs/dbraw/zinc/85/03/94/582850394.db2.gz	DYZHJVIOHVZBPP-GHMZBOCLSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC[C@H](C)OC(=O)[C@H]1C[C@@H]1C(C)C	772499884	582850409	/nfs/dbraw/zinc/85/04/09/582850409.db2.gz	PFCGPYSCNOFOIF-AXFHLTTASA-N	0	0	198.306	3.010	10	0		AGAERN
C[C@H](CC(C)(C)C)C(=O)OCC1CC1	772614346	582850629	/nfs/dbraw/zinc/85/06/29/582850629.db2.gz	ZHASXAHBLODBRG-SECBINFHSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC(CC)CCOC(=O)[C@@H]1C[C@@H]1C	772767653	582850703	/nfs/dbraw/zinc/85/07/03/582850703.db2.gz	FBRWNQNXGZENFS-GXSJLCMTSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC(CC)CCOC(=O)CC1CC1	772770469	582850708	/nfs/dbraw/zinc/85/07/08/582850708.db2.gz	ZRIHEVSJECOGIU-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC(CC)CCOC(=O)C1CCC1	772769522	582850836	/nfs/dbraw/zinc/85/08/36/582850836.db2.gz	SOPLPRUYEUWNNJ-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
C/C=C/COC(=O)[C@@H](C)CC(C)(C)C	772616113	582850846	/nfs/dbraw/zinc/85/08/46/582850846.db2.gz	OJFYKMJHCQCJNW-FGEFZZPRSA-N	0	0	198.306	3.178	10	0		AGAERN
C/C=C\COC(=O)/C(C)=C\C(C)(C)C	772808372	582851558	/nfs/dbraw/zinc/85/15/58/582851558.db2.gz	CHOCGGLVKHRMDW-HZJYTTRNSA-N	0	0	196.290	3.098	10	0		AGAERN
CCC(CC)CCOC(=O)[C@H]1C[C@H]1C	772767654	582850942	/nfs/dbraw/zinc/85/09/42/582850942.db2.gz	FBRWNQNXGZENFS-KOLCDFICSA-N	0	0	198.306	3.012	10	0		AGAERN
C[C@@H](CC(C)(C)C)C(=O)OCC1CC1	772614348	582850960	/nfs/dbraw/zinc/85/09/60/582850960.db2.gz	ZHASXAHBLODBRG-VIFPVBQESA-N	0	0	198.306	3.012	10	0		AGAERN
C/C=C\COC(=O)[C@H](C)CC(C)(C)C	772616118	582850969	/nfs/dbraw/zinc/85/09/69/582850969.db2.gz	OJFYKMJHCQCJNW-JYESYGNLSA-N	0	0	198.306	3.178	10	0		AGAERN
CCC(CC)CCOC(=O)[C@@H]1C[C@H]1C	772767655	582851009	/nfs/dbraw/zinc/85/10/09/582851009.db2.gz	FBRWNQNXGZENFS-MWLCHTKSSA-N	0	0	198.306	3.012	10	0		AGAERN
C/C=C\COC(=O)[C@@H](C)CC(C)(C)C	772616116	582851151	/nfs/dbraw/zinc/85/11/51/582851151.db2.gz	OJFYKMJHCQCJNW-GFVADAIESA-N	0	0	198.306	3.178	10	0		AGAERN
C/C=C/COC(=O)/C(C)=C\C(C)(C)C	772808378	582851640	/nfs/dbraw/zinc/85/16/40/582851640.db2.gz	CHOCGGLVKHRMDW-KQHSAVHASA-N	0	0	196.290	3.098	10	0		AGAERN
C/C=C/COC(=O)/C(C)=C/C(C)(C)C	772808370	582851643	/nfs/dbraw/zinc/85/16/43/582851643.db2.gz	CHOCGGLVKHRMDW-AVQMFFATSA-N	0	0	196.290	3.098	10	0		AGAERN
C/C=C\COC(=O)/C(C)=C/C(C)(C)C	772808375	582851729	/nfs/dbraw/zinc/85/17/29/582851729.db2.gz	CHOCGGLVKHRMDW-IXWMQOLASA-N	0	0	196.290	3.098	10	0		AGAERN
CC[C@@H](C)OC(=O)/C(C)=C\C(C)(C)C	772812383	582851805	/nfs/dbraw/zinc/85/18/05/582851805.db2.gz	GWEJQPTYUZLJOH-HSTULFTRSA-N	0	0	198.306	3.321	10	0		AGAERN
CC[C@H](C)OC(=O)/C(C)=C\C(C)(C)C	772812384	582851985	/nfs/dbraw/zinc/85/19/85/582851985.db2.gz	GWEJQPTYUZLJOH-QROTZFDESA-N	0	0	198.306	3.321	10	0		AGAERN
CC[C@H](C)OC(=O)/C(C)=C/C(C)(C)C	772812381	582852126	/nfs/dbraw/zinc/85/21/26/582852126.db2.gz	GWEJQPTYUZLJOH-DDXVTDLHSA-N	0	0	198.306	3.321	10	0		AGAERN
CC[C@@H](C)OC(=O)/C(C)=C/C(C)(C)C	772812380	582852313	/nfs/dbraw/zinc/85/23/13/582852313.db2.gz	GWEJQPTYUZLJOH-AAXQSMANSA-N	0	0	198.306	3.321	10	0		AGAERN
C/C(=C\C(C)(C)C)C(=O)OC1CCC1	774136471	582857482	/nfs/dbraw/zinc/85/74/82/582857482.db2.gz	BNQPNCVEHOCINZ-CMDGGOBGSA-N	0	0	196.290	3.075	10	0		AGAERN
CCCCC(=O)OC[C@@H]1C[C@@H]1C(C)C	774862967	582859771	/nfs/dbraw/zinc/85/97/71/582859771.db2.gz	SOTCHVNIJLBMBP-WDEREUQCSA-N	0	0	198.306	3.012	10	0		AGAERN
CCCCC(=O)OC[C@@H]1C[C@H]1C(C)C	774862965	582859780	/nfs/dbraw/zinc/85/97/80/582859780.db2.gz	SOTCHVNIJLBMBP-QWRGUYRKSA-N	0	0	198.306	3.012	10	0		AGAERN
CCCCC(=O)OC[C@H]1C[C@@H]1C(C)C	774862962	582860290	/nfs/dbraw/zinc/86/02/90/582860290.db2.gz	SOTCHVNIJLBMBP-GHMZBOCLSA-N	0	0	198.306	3.012	10	0		AGAERN
CCCCC(=O)OC[C@H]1C[C@H]1C(C)C	774862963	582860392	/nfs/dbraw/zinc/86/03/92/582860392.db2.gz	SOTCHVNIJLBMBP-MNOVXSKESA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)C(=O)OC1CCC(C)(C)CC1	774775886	582860494	/nfs/dbraw/zinc/86/04/94/582860494.db2.gz	ZFBAJTANYNBKLL-UHFFFAOYSA-N	0	0	198.306	3.154	10	0		AGAERN
CCCC(=O)OC[C@@H]1C[C@@]1(C)C(C)C	775058569	582861562	/nfs/dbraw/zinc/86/15/62/582861562.db2.gz	XEBFGLYAFVRJFT-JQWIXIFHSA-N	0	0	198.306	3.012	10	0		AGAERN
CCCC(=O)OC[C@@H]1C[C@]1(C)C(C)C	775058568	582861697	/nfs/dbraw/zinc/86/16/97/582861697.db2.gz	XEBFGLYAFVRJFT-CMPLNLGQSA-N	0	0	198.306	3.012	10	0		AGAERN
CCCC(=O)OC[C@H]1C[C@@]1(C)C(C)C	775058571	582861857	/nfs/dbraw/zinc/86/18/57/582861857.db2.gz	XEBFGLYAFVRJFT-PWSUYJOCSA-N	0	0	198.306	3.012	10	0		AGAERN
CCCC(=O)OC[C@H]1C[C@]1(C)C(C)C	775058572	582861963	/nfs/dbraw/zinc/86/19/63/582861963.db2.gz	XEBFGLYAFVRJFT-ZYHUDNBSSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)=CCOC(=O)[C@H](C)C(C)(C)C	775279731	582862214	/nfs/dbraw/zinc/86/22/14/582862214.db2.gz	GCFZVTCOBQXPSF-JTQLQIEISA-N	0	0	198.306	3.178	10	0		AGAERN
CC(C)=CCOC(=O)[C@@H](C)C(C)(C)C	775279732	582862359	/nfs/dbraw/zinc/86/23/59/582862359.db2.gz	GCFZVTCOBQXPSF-SNVBAGLBSA-N	0	0	198.306	3.178	10	0		AGAERN
CC(C)=CCOC(=O)CCC1CCC1	775279561	582862623	/nfs/dbraw/zinc/86/26/23/582862623.db2.gz	HNYXWDZXRXTFBJ-UHFFFAOYSA-N	0	0	196.290	3.076	10	0		AGAERN
CC(C)=CCOC(=O)/C=C\C(C)(C)C	775279177	582862641	/nfs/dbraw/zinc/86/26/41/582862641.db2.gz	UCORDDLVFTYGJR-VURMDHGXSA-N	0	0	196.290	3.098	10	0		AGAERN
CC(C)=CCOC(=O)/C=C/C(C)(C)C	775279176	582862683	/nfs/dbraw/zinc/86/26/83/582862683.db2.gz	UCORDDLVFTYGJR-SOFGYWHQSA-N	0	0	196.290	3.098	10	0		AGAERN
CCC(C)(C)CC(=O)OCC=C(C)C	775279690	582862742	/nfs/dbraw/zinc/86/27/42/582862742.db2.gz	CTZKRAKQMHTHKW-UHFFFAOYSA-N	0	0	198.306	3.322	10	0		AGAERN
CCCCC[C@H](CC)C(=O)N(C)CC	775656113	582862989	/nfs/dbraw/zinc/86/29/89/582862989.db2.gz	AWRKVLBQJHNVAE-NSHDSACASA-N	0	0	199.338	3.071	10	0		AGAERN
CCCCC[C@@H](CC)C(=O)N(C)CC	775656112	582863813	/nfs/dbraw/zinc/86/38/13/582863813.db2.gz	AWRKVLBQJHNVAE-LLVKDONJSA-N	0	0	199.338	3.071	10	0		AGAERN
CC(C)[C@@H](C)OC(=O)[C@H]1CC[C@@H](C)C1	776532429	582865741	/nfs/dbraw/zinc/86/57/41/582865741.db2.gz	ACNWMXKUPYHVRO-MXWKQRLJSA-N	0	0	198.306	3.010	10	0		AGAERN
C[C@H]1CC[C@@H](C(=O)OCC(C)(C)C)C1	776517482	582865807	/nfs/dbraw/zinc/86/58/07/582865807.db2.gz	NPEILVHFTOEQMO-VHSXEESVSA-N	0	0	198.306	3.012	10	0		AGAERN
C[C@@H]1CC[C@H](C(=O)OCC(C)(C)C)C1	776517485	582865881	/nfs/dbraw/zinc/86/58/81/582865881.db2.gz	NPEILVHFTOEQMO-ZJUUUORDSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)[C@@H](C)OC(=O)[C@@H]1CC[C@@H](C)C1	776532427	582865991	/nfs/dbraw/zinc/86/59/91/582865991.db2.gz	ACNWMXKUPYHVRO-GMTAPVOTSA-N	0	0	198.306	3.010	10	0		AGAERN
CC(C)[C@H](C)OC(=O)[C@H]1CC[C@@H](C)C1	776532432	582866007	/nfs/dbraw/zinc/86/60/07/582866007.db2.gz	ACNWMXKUPYHVRO-VWYCJHECSA-N	0	0	198.306	3.010	10	0		AGAERN
C[C@H]1CC[C@H](C(=O)OCC(C)(C)C)C1	776517477	582866025	/nfs/dbraw/zinc/86/60/25/582866025.db2.gz	NPEILVHFTOEQMO-UWVGGRQHSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)[C@H](C)OC(=O)[C@@H]1CC[C@@H](C)C1	776532431	582866027	/nfs/dbraw/zinc/86/60/27/582866027.db2.gz	ACNWMXKUPYHVRO-OUAUKWLOSA-N	0	0	198.306	3.010	10	0		AGAERN
C[C@@H]1CC[C@@H](C(=O)OCC(C)(C)C)C1	776517473	582866241	/nfs/dbraw/zinc/86/62/41/582866241.db2.gz	NPEILVHFTOEQMO-NXEZZACHSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC[C@H](C)[C@@H](C)OC(=O)CC1CC1	778744745	582870587	/nfs/dbraw/zinc/87/05/87/582870587.db2.gz	KGVZMXGULQMKJA-VHSXEESVSA-N	0	0	198.306	3.154	10	0		AGAERN
CC1(OC(=O)CC2CCC2)CCCC1	778669279	582870597	/nfs/dbraw/zinc/87/05/97/582870597.db2.gz	UZGQJIQOKLPMLY-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
CCC/C=C/C(=O)OC1(C)CCCC1	778680234	582870601	/nfs/dbraw/zinc/87/06/01/582870601.db2.gz	XQYFDKVAGNCGBV-VMPITWQZSA-N	0	0	196.290	3.219	10	0		AGAERN
CCC[C@H](C)[C@H](C)OC(=O)[C@@H]1C[C@@H]1C	778751942	582870673	/nfs/dbraw/zinc/87/06/73/582870673.db2.gz	NXKZRCSGPNWPJV-XWLWVQCSSA-N	0	0	198.306	3.010	10	0		AGAERN
CCC[C@H](C)[C@H](C)OC(=O)[C@H]1C[C@H]1C	778751939	582870680	/nfs/dbraw/zinc/87/06/80/582870680.db2.gz	NXKZRCSGPNWPJV-VLEAKVRGSA-N	0	0	198.306	3.010	10	0		AGAERN
CCC[C@H](C)[C@H](C)OC(=O)[C@@H]1C[C@H]1C	778751946	582870706	/nfs/dbraw/zinc/87/07/06/582870706.db2.gz	NXKZRCSGPNWPJV-ZRUFSTJUSA-N	0	0	198.306	3.010	10	0		AGAERN
CCC[C@@H](C)[C@@H](C)OC(=O)C1CCC1	778745213	582870707	/nfs/dbraw/zinc/87/07/07/582870707.db2.gz	NOSPWPBVBTXNQK-NXEZZACHSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC[C@H](C)[C@H](C)OC(=O)C1CCC1	778745214	582870825	/nfs/dbraw/zinc/87/08/25/582870825.db2.gz	NOSPWPBVBTXNQK-UWVGGRQHSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC[C@H](C)[C@H](C)OC(=O)CC1CC1	778744744	582870889	/nfs/dbraw/zinc/87/08/89/582870889.db2.gz	KGVZMXGULQMKJA-UWVGGRQHSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC[C@@H](C)[C@H](C)OC(=O)[C@H]1C[C@@H]1C	778751938	582870946	/nfs/dbraw/zinc/87/09/46/582870946.db2.gz	NXKZRCSGPNWPJV-RCWTZXSCSA-N	0	0	198.306	3.010	10	0		AGAERN
CCC[C@@H](C)C(=O)OC1(C)CCCC1	778679098	582870978	/nfs/dbraw/zinc/87/09/78/582870978.db2.gz	GKYPTUHRMTVSND-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
CCC[C@@H](C)[C@@H](C)OC(=O)CC1CC1	778744743	582870984	/nfs/dbraw/zinc/87/09/84/582870984.db2.gz	KGVZMXGULQMKJA-NXEZZACHSA-N	0	0	198.306	3.154	10	0		AGAERN
C/C=C(/C)C(=O)O[C@H](C)[C@H](C)CCC	778750520	582871012	/nfs/dbraw/zinc/87/10/12/582871012.db2.gz	ZTEFDOXLQIVHJZ-ZNWQGHSCSA-N	0	0	198.306	3.321	10	0		AGAERN
CCC[C@@H](C)[C@H](C)OC(=O)C1CCC1	778745216	582871106	/nfs/dbraw/zinc/87/11/06/582871106.db2.gz	NOSPWPBVBTXNQK-ZJUUUORDSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC[C@@H](C)[C@@H](C)OC(=O)[C@H]1C[C@@H]1C	778751943	582871878	/nfs/dbraw/zinc/87/18/78/582871878.db2.gz	NXKZRCSGPNWPJV-YTWAJWBKSA-N	0	0	198.306	3.010	10	0		AGAERN
CCC[C@H](C)[C@@H](C)OC(=O)[C@H]1C[C@@H]1C	778751929	582871150	/nfs/dbraw/zinc/87/11/50/582871150.db2.gz	NXKZRCSGPNWPJV-MMWGEVLESA-N	0	0	198.306	3.010	10	0		AGAERN
CCC[C@H](C)[C@@H](C)OC(=O)C1CCC1	778745215	582871154	/nfs/dbraw/zinc/87/11/54/582871154.db2.gz	NOSPWPBVBTXNQK-VHSXEESVSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)[C@H](C)C(=O)OC1(C)CCCC1	778677158	582871172	/nfs/dbraw/zinc/87/11/72/582871172.db2.gz	BDQVKFYCPQRUAA-JTQLQIEISA-N	0	0	198.306	3.154	10	0		AGAERN
C/C=C(\C)C(=O)O[C@H](C)[C@H](C)CCC	778750513	582871174	/nfs/dbraw/zinc/87/11/74/582871174.db2.gz	ZTEFDOXLQIVHJZ-JKWVPGAPSA-N	0	0	198.306	3.321	10	0		AGAERN
C/C=C(/C)C(=O)O[C@H](C)[C@@H](C)CCC	778750515	582871217	/nfs/dbraw/zinc/87/12/17/582871217.db2.gz	ZTEFDOXLQIVHJZ-MHTFJADPSA-N	0	0	198.306	3.321	10	0		AGAERN
CC(C)[C@@H](C)C(=O)OC1(C)CCCC1	778677194	582871059	/nfs/dbraw/zinc/87/10/59/582871059.db2.gz	BDQVKFYCPQRUAA-SNVBAGLBSA-N	0	0	198.306	3.154	10	0		AGAERN
CC1(OC(=O)CCC2CC2)CCCC1	778677505	582871242	/nfs/dbraw/zinc/87/12/42/582871242.db2.gz	NJSLXTUYQQEKFQ-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
CCC[C@H](C)C(=O)OC1(C)CCCC1	778679097	582871252	/nfs/dbraw/zinc/87/12/52/582871252.db2.gz	GKYPTUHRMTVSND-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
CCC[C@H](C)[C@H](C)OC(=O)[C@H]1C[C@@H]1C	778751936	582871260	/nfs/dbraw/zinc/87/12/60/582871260.db2.gz	NXKZRCSGPNWPJV-NAKRPEOUSA-N	0	0	198.306	3.010	10	0		AGAERN
CCC/C=C\C(=O)OC1(C)CCCC1	778680236	582871266	/nfs/dbraw/zinc/87/12/66/582871266.db2.gz	XQYFDKVAGNCGBV-YVMONPNESA-N	0	0	196.290	3.219	10	0		AGAERN
C/C=C(\C)C(=O)O[C@H](C)[C@@H](C)CCC	778750517	582871273	/nfs/dbraw/zinc/87/12/73/582871273.db2.gz	ZTEFDOXLQIVHJZ-RZABIFLQSA-N	0	0	198.306	3.321	10	0		AGAERN
CCC[C@@H](C)[C@H](C)OC(=O)CC1CC1	778744746	582871280	/nfs/dbraw/zinc/87/12/80/582871280.db2.gz	KGVZMXGULQMKJA-ZJUUUORDSA-N	0	0	198.306	3.154	10	0		AGAERN
CC/C=C(\C)C(=O)O[C@@H]1CC[C@@H](C)C1	779266285	582872664	/nfs/dbraw/zinc/87/26/64/582872664.db2.gz	WBFYKJJKIRUCIT-KXNDTWRZSA-N	0	0	196.290	3.075	10	0		AGAERN
CC/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)C1	779266286	582872668	/nfs/dbraw/zinc/87/26/68/582872668.db2.gz	WBFYKJJKIRUCIT-QEBWYVITSA-N	0	0	196.290	3.075	10	0		AGAERN
CC/C=C(/C)C(=O)O[C@@H]1CC[C@@H](C)C1	779266287	582872710	/nfs/dbraw/zinc/87/27/10/582872710.db2.gz	WBFYKJJKIRUCIT-XTDRBSRISA-N	0	0	196.290	3.075	10	0		AGAERN
CC/C=C(\C)C(=O)O[C@@H]1CC[C@H](C)C1	779266283	582872938	/nfs/dbraw/zinc/87/29/38/582872938.db2.gz	WBFYKJJKIRUCIT-CVPURCMJSA-N	0	0	196.290	3.075	10	0		AGAERN
CC[C@H](C)[C@H](C)C(=O)O[C@@H](C)C1CC1	780014136	582875674	/nfs/dbraw/zinc/87/56/74/582875674.db2.gz	RTZDDONGMPEKMD-GUBZILKMSA-N	0	0	198.306	3.010	10	0		AGAERN
CC[C@@H](C)[C@H](C)C(=O)O[C@@H](C)C1CC1	780014144	582875783	/nfs/dbraw/zinc/87/57/83/582875783.db2.gz	RTZDDONGMPEKMD-UTLUCORTSA-N	0	0	198.306	3.010	10	0		AGAERN
CC/C(C)=C(\C)C(=O)O[C@H](C)C1CC1	780012466	582875848	/nfs/dbraw/zinc/87/58/48/582875848.db2.gz	GERZCRDVOSUKOE-AAXQSMANSA-N	0	0	196.290	3.075	10	0		AGAERN
CC[C@H](C)[C@@H](C)C(=O)O[C@@H](C)C1CC1	780014130	582875975	/nfs/dbraw/zinc/87/59/75/582875975.db2.gz	RTZDDONGMPEKMD-AEJSXWLSSA-N	0	0	198.306	3.010	10	0		AGAERN
CC/C(C)=C(/C)C(=O)O[C@@H](C)C1CC1	780012498	582875976	/nfs/dbraw/zinc/87/59/76/582875976.db2.gz	GERZCRDVOSUKOE-QROTZFDESA-N	0	0	196.290	3.075	10	0		AGAERN
CC/C(C)=C(\C)C(=O)O[C@@H](C)C1CC1	780012495	582876032	/nfs/dbraw/zinc/87/60/32/582876032.db2.gz	GERZCRDVOSUKOE-DDXVTDLHSA-N	0	0	196.290	3.075	10	0		AGAERN
CC/C(C)=C(/C)C(=O)O[C@H](C)C1CC1	780012496	582876195	/nfs/dbraw/zinc/87/61/95/582876195.db2.gz	GERZCRDVOSUKOE-HSTULFTRSA-N	0	0	196.290	3.075	10	0		AGAERN
CC[C@@H](C)[C@@H](C)C(=O)O[C@@H](C)C1CC1	780014135	582876269	/nfs/dbraw/zinc/87/62/69/582876269.db2.gz	RTZDDONGMPEKMD-BBBLOLIVSA-N	0	0	198.306	3.010	10	0		AGAERN
CC/C(C)=C(/C)C(=O)OCC1CCC1	780217466	582876355	/nfs/dbraw/zinc/87/63/55/582876355.db2.gz	ANPFEILMWNKJSO-KTKRTIGZSA-N	0	0	196.290	3.076	10	0		AGAERN
CCCCC[C@@](C)(CC)C(=O)NCC	780152351	582876406	/nfs/dbraw/zinc/87/64/06/582876406.db2.gz	BPUDMRNQORCKGR-GFCCVEGCSA-N	0	0	199.338	3.119	10	0		AGAERN
CC[C@@H](C)[C@H](C)C(=O)OCCC1CC1	780240017	582876423	/nfs/dbraw/zinc/87/64/23/582876423.db2.gz	DAYUJWZYTSQGLQ-ZJUUUORDSA-N	0	0	198.306	3.012	10	0		AGAERN
CC/C(C)=C(\C)C(=O)OCC1CCC1	780217471	582876428	/nfs/dbraw/zinc/87/64/28/582876428.db2.gz	ANPFEILMWNKJSO-MDZDMXLPSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC[C@H](C)OC(=O)/C(C)=C(/C)CC	780219005	582876450	/nfs/dbraw/zinc/87/64/50/582876450.db2.gz	DJITYMZAZFVFGG-RGAIUGGKSA-N	0	0	198.306	3.465	10	0		AGAERN
CC[C@H](C)[C@H](C)C(=O)OCCC1CC1	780240015	582876525	/nfs/dbraw/zinc/87/65/25/582876525.db2.gz	DAYUJWZYTSQGLQ-UWVGGRQHSA-N	0	0	198.306	3.012	10	0		AGAERN
CC[C@H](C)[C@@H](C)C(=O)OCCC1CC1	780240016	582876550	/nfs/dbraw/zinc/87/65/50/582876550.db2.gz	DAYUJWZYTSQGLQ-VHSXEESVSA-N	0	0	198.306	3.012	10	0		AGAERN
CC[C@@H](C)[C@@H](C)C(=O)OCCC1CC1	780240014	582876567	/nfs/dbraw/zinc/87/65/67/582876567.db2.gz	DAYUJWZYTSQGLQ-NXEZZACHSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC[C@@H](C)OC(=O)/C(C)=C(/C)CC	780219003	582876609	/nfs/dbraw/zinc/87/66/09/582876609.db2.gz	DJITYMZAZFVFGG-QLWWJYNRSA-N	0	0	198.306	3.465	10	0		AGAERN
CCC[C@H](C)OC(=O)/C(C)=C(\C)CC	780219006	582876614	/nfs/dbraw/zinc/87/66/14/582876614.db2.gz	DJITYMZAZFVFGG-SPQRFVMMSA-N	0	0	198.306	3.465	10	0		AGAERN
CCCCC[C@](C)(CC)C(=O)NCC	780152352	582876838	/nfs/dbraw/zinc/87/68/38/582876838.db2.gz	BPUDMRNQORCKGR-LBPRGKRZSA-N	0	0	199.338	3.119	10	0		AGAERN
CCC[C@@H](C)OC(=O)/C(C)=C(\C)CC	780219000	582876938	/nfs/dbraw/zinc/87/69/38/582876938.db2.gz	DJITYMZAZFVFGG-OYVNLZQHSA-N	0	0	198.306	3.465	10	0		AGAERN
CCC[C@@H](C)CC(=O)O[C@H]1C=CCC1	780556829	582877201	/nfs/dbraw/zinc/87/72/01/582877201.db2.gz	YVOZDVPCKGGMRR-MNOVXSKESA-N	0	0	196.290	3.075	10	0		AGAERN
CC/C=C\COC(=O)[C@H](C)[C@@H](C)CC	780321570	582877227	/nfs/dbraw/zinc/87/72/27/582877227.db2.gz	HZEDOWGOSIFXNH-MYEMAUTDSA-N	0	0	198.306	3.178	10	0		AGAERN
CC(C)(C)CCC(=O)O[C@@H]1C=CCC1	780553032	582877229	/nfs/dbraw/zinc/87/72/29/582877229.db2.gz	HUKGHKCWXSEZFC-SNVBAGLBSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC[C@@H](C)CC(=O)O[C@@H]1C=CCC1	780556827	582877250	/nfs/dbraw/zinc/87/72/50/582877250.db2.gz	YVOZDVPCKGGMRR-GHMZBOCLSA-N	0	0	196.290	3.075	10	0		AGAERN
CC[C@H](C)[C@H](C)C(=O)OC1(C)CCC1	780424100	582877345	/nfs/dbraw/zinc/87/73/45/582877345.db2.gz	ZMHNFYHACFJDIM-UWVGGRQHSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC(C)(C)CC(=O)O[C@@H]1C=CCC1	780550511	582877422	/nfs/dbraw/zinc/87/74/22/582877422.db2.gz	IJSSUTMPIFFHBY-SNVBAGLBSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC(CC)CC(=O)O[C@@H]1C=CCC1	780556882	582877618	/nfs/dbraw/zinc/87/76/18/582877618.db2.gz	GBOYYTFIJHTKNF-LLVKDONJSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC[C@H](C)CC(=O)O[C@H]1C=CCC1	780556830	582877621	/nfs/dbraw/zinc/87/76/21/582877621.db2.gz	YVOZDVPCKGGMRR-QWRGUYRKSA-N	0	0	196.290	3.075	10	0		AGAERN
CC(C)(C)CCC(=O)O[C@H]1C=CCC1	780553031	582877682	/nfs/dbraw/zinc/87/76/82/582877682.db2.gz	HUKGHKCWXSEZFC-JTQLQIEISA-N	0	0	196.290	3.075	10	0		AGAERN
CC[C@@H](C)[C@@H](C)C(=O)OC1(C)CCC1	780424098	582877790	/nfs/dbraw/zinc/87/77/90/582877790.db2.gz	ZMHNFYHACFJDIM-NXEZZACHSA-N	0	0	198.306	3.154	10	0		AGAERN
CC[C@@H](C)[C@H](C)C(=O)OC1(C)CCC1	780424105	582877839	/nfs/dbraw/zinc/87/78/39/582877839.db2.gz	ZMHNFYHACFJDIM-ZJUUUORDSA-N	0	0	198.306	3.154	10	0		AGAERN
CC/C=C\COC(=O)[C@H](C)[C@H](C)CC	780321573	582877845	/nfs/dbraw/zinc/87/78/45/582877845.db2.gz	HZEDOWGOSIFXNH-YTHBOFTNSA-N	0	0	198.306	3.178	10	0		AGAERN
CCC[C@H](C)CC(=O)O[C@@H]1C=CCC1	780556831	582877852	/nfs/dbraw/zinc/87/78/52/582877852.db2.gz	YVOZDVPCKGGMRR-WDEREUQCSA-N	0	0	196.290	3.075	10	0		AGAERN
CC[C@H](C)[C@@H](C)C(=O)OC1(C)CCC1	780424101	582877869	/nfs/dbraw/zinc/87/78/69/582877869.db2.gz	ZMHNFYHACFJDIM-VHSXEESVSA-N	0	0	198.306	3.154	10	0		AGAERN
CC/C=C/COC(=O)[C@H](C)[C@@H](C)CC	780321568	582877915	/nfs/dbraw/zinc/87/79/15/582877915.db2.gz	HZEDOWGOSIFXNH-IAYMVZNDSA-N	0	0	198.306	3.178	10	0		AGAERN
CCC(C)(C)CC(=O)O[C@H]1C=CCC1	780550509	582877921	/nfs/dbraw/zinc/87/79/21/582877921.db2.gz	IJSSUTMPIFFHBY-JTQLQIEISA-N	0	0	196.290	3.075	10	0		AGAERN
CC/C=C/COC(=O)[C@H](C)[C@H](C)CC	780321572	582877897	/nfs/dbraw/zinc/87/78/97/582877897.db2.gz	HZEDOWGOSIFXNH-QSNNZYTBSA-N	0	0	198.306	3.178	10	0		AGAERN
CCCCCCC(=O)O[C@H]1C=CCC1	780558386	582878302	/nfs/dbraw/zinc/87/83/02/582878302.db2.gz	BBWRWJJTEGWJIW-NSHDSACASA-N	0	0	196.290	3.219	10	0		AGAERN
CCC(CC)CC(=O)O[C@H]1C=CCC1	780556883	582878662	/nfs/dbraw/zinc/87/86/62/582878662.db2.gz	GBOYYTFIJHTKNF-NSHDSACASA-N	0	0	196.290	3.075	10	0		AGAERN
CCCCCCC(=O)O[C@@H]1C=CCC1	780558385	582879037	/nfs/dbraw/zinc/87/90/37/582879037.db2.gz	BBWRWJJTEGWJIW-LLVKDONJSA-N	0	0	196.290	3.219	10	0		AGAERN
CC1(C(=O)OC2CCC2)CCCCC1	781497278	582880613	/nfs/dbraw/zinc/88/06/13/582880613.db2.gz	NWHJCBFFVKGQPE-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
CC(C)COC(=O)[C@@H]1CCC(C)(C)C1	781693930	582881796	/nfs/dbraw/zinc/88/17/96/582881796.db2.gz	HZUUXBDFNLOZLZ-SNVBAGLBSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)COC(=O)[C@H]1CCC(C)(C)C1	781693929	582881805	/nfs/dbraw/zinc/88/18/05/582881805.db2.gz	HZUUXBDFNLOZLZ-JTQLQIEISA-N	0	0	198.306	3.012	10	0		AGAERN
CCC[C@H](C)OC(=O)C1=CCCCC1	782446151	582884212	/nfs/dbraw/zinc/88/42/12/582884212.db2.gz	DJNYZVLIJSRTGZ-JTQLQIEISA-N	0	0	196.290	3.219	10	0		AGAERN
CCCCCOC(=O)C1=CCCCC1	782456962	582884344	/nfs/dbraw/zinc/88/43/44/582884344.db2.gz	GURBMVUJAYPCMD-UHFFFAOYSA-N	0	0	196.290	3.220	10	0		AGAERN
CCC[C@@H](C)OC(=O)C1=CCCCC1	782446152	582884528	/nfs/dbraw/zinc/88/45/28/582884528.db2.gz	DJNYZVLIJSRTGZ-SNVBAGLBSA-N	0	0	196.290	3.219	10	0		AGAERN
CCCCC[C@@H](CC)C(=O)OC1CC1	783190015	582886024	/nfs/dbraw/zinc/88/60/24/582886024.db2.gz	JNKWGZJQZZIZPP-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
CC1(CC(=O)OC2CC2)CCCCC1	783181309	582886142	/nfs/dbraw/zinc/88/61/42/582886142.db2.gz	CUBWCEMOIUCDPU-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
CCCCC[C@@H](C)CC(=O)OC1CC1	783181198	582886146	/nfs/dbraw/zinc/88/61/46/582886146.db2.gz	ARVSIFYPMLYPPB-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
C[C@@H](CCC(C)(C)C)C(=O)OC1CC1	783186522	582886154	/nfs/dbraw/zinc/88/61/54/582886154.db2.gz	LGUPGDFWWSDUMQ-VIFPVBQESA-N	0	0	198.306	3.154	10	0		AGAERN
C[C@H](CCC(C)(C)C)C(=O)OC1CC1	783186521	582886315	/nfs/dbraw/zinc/88/63/15/582886315.db2.gz	LGUPGDFWWSDUMQ-SECBINFHSA-N	0	0	198.306	3.154	10	0		AGAERN
CCCCC[C@H](C)CC(=O)OC1CC1	783181179	582886202	/nfs/dbraw/zinc/88/62/02/582886202.db2.gz	ARVSIFYPMLYPPB-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
CC(C)[C@@H](C)OC(=O)C1=CCCCC1	783107725	582886347	/nfs/dbraw/zinc/88/63/47/582886347.db2.gz	HXCUPFSSIXIMEX-SNVBAGLBSA-N	0	0	196.290	3.075	10	0		AGAERN
CCCCC[C@H](CC)C(=O)OC1CC1	783190011	582886430	/nfs/dbraw/zinc/88/64/30/582886430.db2.gz	JNKWGZJQZZIZPP-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
CC(C)[C@H](C)OC(=O)C1=CCCCC1	783107724	582886436	/nfs/dbraw/zinc/88/64/36/582886436.db2.gz	HXCUPFSSIXIMEX-JTQLQIEISA-N	0	0	196.290	3.075	10	0		AGAERN
CCCCCC[C@@H](C)C(=O)OC1CC1	783181576	582886745	/nfs/dbraw/zinc/88/67/45/582886745.db2.gz	GIAQJTKZZFBQHP-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
CCCC(=CC(=O)OC1CC1)CCC	783189286	582886765	/nfs/dbraw/zinc/88/67/65/582886765.db2.gz	RQKXJHFPHFKWLC-UHFFFAOYSA-N	0	0	196.290	3.219	10	0		AGAERN
CCCCCC[C@H](C)C(=O)OC1CC1	783181575	582886769	/nfs/dbraw/zinc/88/67/69/582886769.db2.gz	GIAQJTKZZFBQHP-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
O=C(CC1CCCCCC1)OC1CC1	783181587	582886861	/nfs/dbraw/zinc/88/68/61/582886861.db2.gz	GUKBROPZXBJBRT-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
CC[C@@H](C)CCCCC(=O)OC1CC1	783202925	582886984	/nfs/dbraw/zinc/88/69/84/582886984.db2.gz	WZNVUCMQCFZENF-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
O=C(OC1CC1)C1CCCCCCC1	783197462	582887025	/nfs/dbraw/zinc/88/70/25/582887025.db2.gz	AGSIGVUDBDXKFE-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
CC(C)CCCCCC(=O)OC1CC1	783195720	582887111	/nfs/dbraw/zinc/88/71/11/582887111.db2.gz	VVTJAVNPJOPANC-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
C[C@@H](CC(=O)OC1CC1)CC(C)(C)C	783196594	582887185	/nfs/dbraw/zinc/88/71/85/582887185.db2.gz	QHBKGXFCARPUOE-VIFPVBQESA-N	0	0	198.306	3.154	10	0		AGAERN
CCC/C=C/C(=O)OCCC1CCC1	783447934	582887262	/nfs/dbraw/zinc/88/72/62/582887262.db2.gz	HBLJFAXUSHZGNM-XBXARRHUSA-N	0	0	196.290	3.076	10	0		AGAERN
CCCCCC(C)(C)C(=O)OC1CC1	783202545	582887288	/nfs/dbraw/zinc/88/72/88/582887288.db2.gz	QMDVVOKZAOKXMZ-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
CCCC[C@@H](CC)CC(=O)OC1CC1	783203071	582887294	/nfs/dbraw/zinc/88/72/94/582887294.db2.gz	WGEIULUIJWUXHH-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
CC1(C(=O)OC2CC2)CCCCCC1	783195718	582887316	/nfs/dbraw/zinc/88/73/16/582887316.db2.gz	VRUASJGXVDZHHG-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
CCCC[C@H](CC)CC(=O)OC1CC1	783203070	582887365	/nfs/dbraw/zinc/88/73/65/582887365.db2.gz	WGEIULUIJWUXHH-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
C[C@H](CC(=O)OC1CC1)CC(C)(C)C	783196593	582887385	/nfs/dbraw/zinc/88/73/85/582887385.db2.gz	QHBKGXFCARPUOE-SECBINFHSA-N	0	0	198.306	3.154	10	0		AGAERN
CC[C@H](C)CCCCC(=O)OC1CC1	783202923	582887466	/nfs/dbraw/zinc/88/74/66/582887466.db2.gz	WZNVUCMQCFZENF-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
CCC/C=C\C(=O)OCCC1CCC1	783447936	582887511	/nfs/dbraw/zinc/88/75/11/582887511.db2.gz	HBLJFAXUSHZGNM-YWEYNIOJSA-N	0	0	196.290	3.076	10	0		AGAERN
O=C(CCC1CCCCC1)OC1CC1	783195719	582887630	/nfs/dbraw/zinc/88/76/30/582887630.db2.gz	VVIGPFLPGKCCQN-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
CCCC(C)(C)Cc1nc(CC)no1	784096763	582889432	/nfs/dbraw/zinc/88/94/32/582889432.db2.gz	WJRDGRULJKLZRU-UHFFFAOYSA-N	0	0	196.294	3.001	10	0		AGAERN
CC/C=C\CCOC(=O)/C=C\C(C)C	785061733	582891527	/nfs/dbraw/zinc/89/15/27/582891527.db2.gz	WZMMYDQZXRHQCV-AFJQJTPPSA-N	0	0	196.290	3.098	10	0		AGAERN
CC(C)C(C)(C)C(=O)O[C@@H](C)C1CC1	784142936	582889979	/nfs/dbraw/zinc/88/99/79/582889979.db2.gz	AVCWWAUDAPMCBV-VIFPVBQESA-N	0	0	198.306	3.010	10	0		AGAERN
CC(C)C(C)(C)C(=O)O[C@H](C)C1CC1	784142928	582889985	/nfs/dbraw/zinc/88/99/85/582889985.db2.gz	AVCWWAUDAPMCBV-SECBINFHSA-N	0	0	198.306	3.010	10	0		AGAERN
CC/C=C/CCOC(=O)/C=C\C(C)C	785061735	582891512	/nfs/dbraw/zinc/89/15/12/582891512.db2.gz	WZMMYDQZXRHQCV-NKEWZBFXSA-N	0	0	196.290	3.098	10	0		AGAERN
CC/C=C\CCOC(=O)/C=C/C(C)C	785061736	582891638	/nfs/dbraw/zinc/89/16/38/582891638.db2.gz	WZMMYDQZXRHQCV-UEPDSTOUSA-N	0	0	196.290	3.098	10	0		AGAERN
CC/C=C/CCOC(=O)/C=C/C(C)C	785061734	582891869	/nfs/dbraw/zinc/89/18/69/582891869.db2.gz	WZMMYDQZXRHQCV-HHWLVVFRSA-N	0	0	196.290	3.098	10	0		AGAERN
C/C=C\COC(=O)CC(C)(C)CCC	786346121	582895827	/nfs/dbraw/zinc/89/58/27/582895827.db2.gz	SLMCLXKKOWTUIL-ALCCZGGFSA-N	0	0	198.306	3.322	10	0		AGAERN
C/C=C/COC(=O)CC(C)(C)CCC	786346123	582896448	/nfs/dbraw/zinc/89/64/48/582896448.db2.gz	SLMCLXKKOWTUIL-FNORWQNLSA-N	0	0	198.306	3.322	10	0		AGAERN
CCCC(C)(C)CC(=O)OCC1CC1	786337767	582896495	/nfs/dbraw/zinc/89/64/95/582896495.db2.gz	UCDWQSQUUPKKES-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCCC(C)(C)CC(=O)OC1CCC1	786434957	582896499	/nfs/dbraw/zinc/89/64/99/582896499.db2.gz	NMDAVDAJYXZVRA-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
CCC[C@@H](C)[C@H](C)OC(=O)[C@@H]1C[C@H]1C	786465416	582896716	/nfs/dbraw/zinc/89/67/16/582896716.db2.gz	NXKZRCSGPNWPJV-CHWFTXMASA-N	0	0	198.306	3.010	10	0		AGAERN
CCC[C@@H](C)[C@@H](C)OC(=O)[C@@H]1C[C@H]1C	786465417	582896954	/nfs/dbraw/zinc/89/69/54/582896954.db2.gz	NXKZRCSGPNWPJV-GWOFURMSSA-N	0	0	198.306	3.010	10	0		AGAERN
CCC[C@H](C)[C@@H](C)OC(=O)[C@@H]1C[C@H]1C	786465419	582897409	/nfs/dbraw/zinc/89/74/09/582897409.db2.gz	NXKZRCSGPNWPJV-LNFKQOIKSA-N	0	0	198.306	3.010	10	0		AGAERN
CC(C)[C@H](C)OC(=O)C(C)(C)C1CC1	805896152	582905727	/nfs/dbraw/zinc/90/57/27/582905727.db2.gz	KWLQZEJFSNSKIM-VIFPVBQESA-N	0	0	198.306	3.010	10	0		AGAERN
CC(C)(C)COC(=O)C(C)(C)C1CC1	805873525	582904381	/nfs/dbraw/zinc/90/43/81/582904381.db2.gz	KAXXBBPRDWKRNO-UHFFFAOYSA-N	0	0	198.306	3.012	10	0		AGAERN
C/C=C(/CC)C(=O)OC1(C)CCCC1	789394588	582905128	/nfs/dbraw/zinc/90/51/28/582905128.db2.gz	HJNCCYAILFZXCE-WMZJFQQLSA-N	0	0	196.290	3.219	10	0		AGAERN
CC(C)[C@@H](C)OC(=O)C(C)(C)C1CC1	805896151	582905383	/nfs/dbraw/zinc/90/53/83/582905383.db2.gz	KWLQZEJFSNSKIM-SECBINFHSA-N	0	0	198.306	3.010	10	0		AGAERN
CCC[C@@H](C)C(=O)OC[C@H](C)C1CC1	789609540	582905394	/nfs/dbraw/zinc/90/53/94/582905394.db2.gz	STDBIUUTLQGKCX-ZJUUUORDSA-N	0	0	198.306	3.012	10	0		AGAERN
CC[C@H](C)CC(=O)OC[C@H](C)C1CC1	789600015	582905446	/nfs/dbraw/zinc/90/54/46/582905446.db2.gz	DMJYZQWCKQZPQE-UWVGGRQHSA-N	0	0	198.306	3.012	10	0		AGAERN
CCCCCC(=O)OC[C@@H](C)C1CC1	789604472	582905528	/nfs/dbraw/zinc/90/55/28/582905528.db2.gz	BCHVUGQDSCBXOH-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC[C@H](C)C(=O)OC[C@H](C)C1CC1	789608841	582905548	/nfs/dbraw/zinc/90/55/48/582905548.db2.gz	STDBIUUTLQGKCX-UWVGGRQHSA-N	0	0	198.306	3.012	10	0		AGAERN
CC[C@@H](C)CC(=O)OC[C@@H](C)C1CC1	789599998	582905574	/nfs/dbraw/zinc/90/55/74/582905574.db2.gz	DMJYZQWCKQZPQE-NXEZZACHSA-N	0	0	198.306	3.012	10	0		AGAERN
CC[C@H](C)CC(=O)OC[C@@H](C)C1CC1	789600017	582905618	/nfs/dbraw/zinc/90/56/18/582905618.db2.gz	DMJYZQWCKQZPQE-VHSXEESVSA-N	0	0	198.306	3.012	10	0		AGAERN
C/C=C(\CC)C(=O)OC1(C)CCCC1	789394587	582905647	/nfs/dbraw/zinc/90/56/47/582905647.db2.gz	HJNCCYAILFZXCE-ONNFQVAWSA-N	0	0	196.290	3.219	10	0		AGAERN
CCC[C@H](C)C(=O)OC[C@@H](C)C1CC1	789608843	582905671	/nfs/dbraw/zinc/90/56/71/582905671.db2.gz	STDBIUUTLQGKCX-VHSXEESVSA-N	0	0	198.306	3.012	10	0		AGAERN
CCCCCC(=O)OC[C@H](C)C1CC1	789604470	582905728	/nfs/dbraw/zinc/90/57/28/582905728.db2.gz	BCHVUGQDSCBXOH-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
CC[C@@H](C)CC(=O)OC[C@H](C)C1CC1	789600018	582905880	/nfs/dbraw/zinc/90/58/80/582905880.db2.gz	DMJYZQWCKQZPQE-ZJUUUORDSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC[C@H](C)CC(=O)OCC1(C)CC1	790803840	582909637	/nfs/dbraw/zinc/90/96/37/582909637.db2.gz	VTKQANJGLHFRII-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
C[C@@H](C(=O)OCC1(C)CC1)C(C)(C)C	790800947	582909845	/nfs/dbraw/zinc/90/98/45/582909845.db2.gz	NATMDHIZLKZPCC-VIFPVBQESA-N	0	0	198.306	3.012	10	0		AGAERN
CCC(C)(CC)C(=O)OCC1(C)CC1	790802704	582909909	/nfs/dbraw/zinc/90/99/09/582909909.db2.gz	IOFAZSXJCRYDCZ-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CC(C)C(C)(C)C(=O)OCC1(C)CC1	790805464	582909935	/nfs/dbraw/zinc/90/99/35/582909935.db2.gz	IPOZKAXGQOPIKR-UHFFFAOYSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)(C)CCCCC(=O)OC1CC1	805926082	582909978	/nfs/dbraw/zinc/90/99/78/582909978.db2.gz	WCOPMNVKGBJCIK-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
CCC/C(C)=C\C(=O)OCC1(C)CC1	790805743	582910085	/nfs/dbraw/zinc/91/00/85/582910085.db2.gz	LQAGUKWCWCSZSC-NTMALXAHSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC/C(C)=C/C(=O)OCC1(C)CC1	790805742	582910180	/nfs/dbraw/zinc/91/01/80/582910180.db2.gz	LQAGUKWCWCSZSC-CSKARUKUSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC[C@@H](C)CC(=O)OCC1(C)CC1	790803844	582910198	/nfs/dbraw/zinc/91/01/98/582910198.db2.gz	VTKQANJGLHFRII-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC(=CC(=O)OCC1(C)CC1)CC	790811143	582910201	/nfs/dbraw/zinc/91/02/01/582910201.db2.gz	KORMNRGLSHUGBQ-UHFFFAOYSA-N	0	0	196.290	3.076	10	0		AGAERN
CCCCCCC(=O)OCC1(C)CC1	790805205	582910222	/nfs/dbraw/zinc/91/02/22/582910222.db2.gz	HGCNHAKNDASPHT-UHFFFAOYSA-N	0	0	198.306	3.300	10	0		AGAERN
C[C@H](C(=O)OCC1(C)CC1)C(C)(C)C	790800934	582910233	/nfs/dbraw/zinc/91/02/33/582910233.db2.gz	NATMDHIZLKZPCC-SECBINFHSA-N	0	0	198.306	3.012	10	0		AGAERN
CC[C@H](C)CC(=O)O[C@@H]1C=CCCC1	791501310	582913531	/nfs/dbraw/zinc/91/35/31/582913531.db2.gz	GPSJIULLZVTTBX-WDEREUQCSA-N	0	0	196.290	3.075	10	0		AGAERN
CC[C@H](C)CC(=O)O[C@H]1C=CCCC1	791501307	582913599	/nfs/dbraw/zinc/91/35/99/582913599.db2.gz	GPSJIULLZVTTBX-QWRGUYRKSA-N	0	0	196.290	3.075	10	0		AGAERN
CC[C@@H](C)CC(=O)O[C@H]1C=CCCC1	791501303	582913790	/nfs/dbraw/zinc/91/37/90/582913790.db2.gz	GPSJIULLZVTTBX-MNOVXSKESA-N	0	0	196.290	3.075	10	0		AGAERN
CC[C@@H](C)CC(=O)O[C@@H]1C=CCCC1	791501301	582913822	/nfs/dbraw/zinc/91/38/22/582913822.db2.gz	GPSJIULLZVTTBX-GHMZBOCLSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC[C@H](C)COC(=O)C1(C)CCC1	791894480	582914354	/nfs/dbraw/zinc/91/43/54/582914354.db2.gz	PKQVSWGHJMBPQG-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
CCC[C@@H](C)COC(=O)[C@H](C)C1CC1	791893561	582914365	/nfs/dbraw/zinc/91/43/65/582914365.db2.gz	IWOISVONNQVYJM-NXEZZACHSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC[C@H](C)COC(=O)[C@H](C)C1CC1	791893564	582914431	/nfs/dbraw/zinc/91/44/31/582914431.db2.gz	IWOISVONNQVYJM-VHSXEESVSA-N	0	0	198.306	3.012	10	0		AGAERN
CC[C@H](C)CC(=O)OC1(C)CCCC1	791829087	582914533	/nfs/dbraw/zinc/91/45/33/582914533.db2.gz	CEJDFRCFCNBHOO-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
CC[C@@H](C)CC(=O)OCCC1CCC1	791872728	582914644	/nfs/dbraw/zinc/91/46/44/582914644.db2.gz	AJEZRYDPJBEXTN-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC[C@@H](C)COC(=O)C=C1CCC1	791894749	582914720	/nfs/dbraw/zinc/91/47/20/582914720.db2.gz	JUYIXFTUVTUPAP-SNVBAGLBSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC[C@H](C)COC(=O)C1CCCC1	791894937	582914747	/nfs/dbraw/zinc/91/47/47/582914747.db2.gz	KOVIADDCVVTZKC-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
CCC[C@H](C)COC(=O)[C@@H](C)C1CC1	791893563	582914767	/nfs/dbraw/zinc/91/47/67/582914767.db2.gz	IWOISVONNQVYJM-UWVGGRQHSA-N	0	0	198.306	3.012	10	0		AGAERN
CC[C@H](C)CC(=O)OCCC1CCC1	791872723	582914785	/nfs/dbraw/zinc/91/47/85/582914785.db2.gz	AJEZRYDPJBEXTN-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
CCC[C@H](C)COC(=O)C=C1CCC1	791894748	582914811	/nfs/dbraw/zinc/91/48/11/582914811.db2.gz	JUYIXFTUVTUPAP-JTQLQIEISA-N	0	0	196.290	3.076	10	0		AGAERN
CCC[C@@H](C)COC(=O)[C@@H](C)C1CC1	791893569	582914958	/nfs/dbraw/zinc/91/49/58/582914958.db2.gz	IWOISVONNQVYJM-ZJUUUORDSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC[C@@H](C)COC(=O)C1(C)CCC1	791894481	582914969	/nfs/dbraw/zinc/91/49/69/582914969.db2.gz	PKQVSWGHJMBPQG-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
CC[C@@H](C)CC(=O)OC1(C)CCCC1	791829089	582914995	/nfs/dbraw/zinc/91/49/95/582914995.db2.gz	CEJDFRCFCNBHOO-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
CCC[C@@H](C)COC(=O)C1=CCCC1	791899451	582915296	/nfs/dbraw/zinc/91/52/96/582915296.db2.gz	OVPJPDQDFJVGLL-SNVBAGLBSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC[C@H](C)COC(=O)C1=CCCC1	791899450	582915418	/nfs/dbraw/zinc/91/54/18/582915418.db2.gz	OVPJPDQDFJVGLL-JTQLQIEISA-N	0	0	196.290	3.076	10	0		AGAERN
CCC[C@@H](C)COC(=O)C1CCCC1	791894939	582915488	/nfs/dbraw/zinc/91/54/88/582915488.db2.gz	KOVIADDCVVTZKC-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC[C@H](C)COC(=O)C1(CC)CC1	791897432	582915509	/nfs/dbraw/zinc/91/55/09/582915509.db2.gz	OWZARCXVHQWGQB-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
CCC[C@@H](C)COC(=O)CC1CCC1	791898441	582915803	/nfs/dbraw/zinc/91/58/03/582915803.db2.gz	VCLTWTDUHZAPTP-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC[C@@H](C)COC(=O)C1(CC)CC1	791897433	582915807	/nfs/dbraw/zinc/91/58/07/582915807.db2.gz	OWZARCXVHQWGQB-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC[C@@H](C)COC(=O)CCC1CC1	791895744	582915871	/nfs/dbraw/zinc/91/58/71/582915871.db2.gz	SMFZQDYJYYEFNC-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC[C@H](C)COC(=O)CCC1CC1	791895743	582915882	/nfs/dbraw/zinc/91/58/82/582915882.db2.gz	SMFZQDYJYYEFNC-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
CCC[C@H](C)COC(=O)CC1CCC1	791898440	582915884	/nfs/dbraw/zinc/91/58/84/582915884.db2.gz	VCLTWTDUHZAPTP-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
CC(C)(C)COC(=O)C1CC(C)(C)C1	796950091	582927179	/nfs/dbraw/zinc/92/71/79/582927179.db2.gz	CKBMTIFNAHESPH-UHFFFAOYSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC[C@](C)(CC)c1nc(CC)no1	795701263	582923406	/nfs/dbraw/zinc/92/34/06/582923406.db2.gz	HEOIYPIBPVHJPB-NSHDSACASA-N	0	0	196.294	3.100	10	0		AGAERN
CCC[C@@](C)(CC)c1nc(CC)no1	795701260	582923465	/nfs/dbraw/zinc/92/34/65/582923465.db2.gz	HEOIYPIBPVHJPB-LLVKDONJSA-N	0	0	196.294	3.100	10	0		AGAERN
CC[C@@H](C)CCC(=O)N(CC)C(C)C	795396109	582923878	/nfs/dbraw/zinc/92/38/78/582923878.db2.gz	FNIMVKFKKCTOED-LLVKDONJSA-N	0	0	199.338	3.070	10	0		AGAERN
Cc1ccc(N(C)CCCCF)cc1	795887538	582924073	/nfs/dbraw/zinc/92/40/73/582924073.db2.gz	CPCFOFCDNPJYGA-UHFFFAOYSA-N	0	0	195.281	3.181	10	0		AGAERN
CC[C@H](C)CCC(=O)N(CC)C(C)C	795396130	582924126	/nfs/dbraw/zinc/92/41/26/582924126.db2.gz	FNIMVKFKKCTOED-NSHDSACASA-N	0	0	199.338	3.070	10	0		AGAERN
CC/C=C\CCN(CC(C)(C)C)OC	796479824	582924773	/nfs/dbraw/zinc/92/47/73/582924773.db2.gz	HOINLHKYDDEOLC-FPLPWBNLSA-N	0	0	199.338	3.252	10	0		AGAERN
CC/C=C/CCN(CC(C)(C)C)OC	796479823	582925345	/nfs/dbraw/zinc/92/53/45/582925345.db2.gz	HOINLHKYDDEOLC-BQYQJAHWSA-N	0	0	199.338	3.252	10	0		AGAERN
CCCCCOC(=O)C1CC(C)(C)C1	796838122	582926120	/nfs/dbraw/zinc/92/61/20/582926120.db2.gz	GSWRQNLCGSKAIZ-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC(=O)OC[C@@H]1CCCC(C)(C)C1	796790106	582926123	/nfs/dbraw/zinc/92/61/23/582926123.db2.gz	ODWFKXNSPSZZKX-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC(=O)O[C@@H](C)C1CCCCCC1	796842551	582926142	/nfs/dbraw/zinc/92/61/42/582926142.db2.gz	USYUIONJCWVVMD-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
CC[C@@H](C)CCC(=O)OC1CCCC1	796871281	582926199	/nfs/dbraw/zinc/92/61/99/582926199.db2.gz	HGKHFHMNEZXBCX-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
CCC(=O)OCC(C)(C)C1CCCC1	796791130	582926217	/nfs/dbraw/zinc/92/62/17/582926217.db2.gz	RGHLHSKQAGTIRF-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC(=O)OCC1(C)CCCCCC1	796822460	582926296	/nfs/dbraw/zinc/92/62/96/582926296.db2.gz	CLZHSOSZIJRSTO-UHFFFAOYSA-N	0	0	198.306	3.300	10	0		AGAERN
CC[C@H](C)CCC(=O)OC1CCCC1	796871280	582926487	/nfs/dbraw/zinc/92/64/87/582926487.db2.gz	HGKHFHMNEZXBCX-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
CCC(=O)OC[C@H]1CCCC(C)(C)C1	796790104	582926520	/nfs/dbraw/zinc/92/65/20/582926520.db2.gz	ODWFKXNSPSZZKX-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
CC[C@H](C)CCC(=O)O[C@@H](C)C1CC1	796887000	582926846	/nfs/dbraw/zinc/92/68/46/582926846.db2.gz	FVIVMLVOANLBSA-UWVGGRQHSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)[C@H](C)OC(=O)C1CC(C)(C)C1	797151941	582926851	/nfs/dbraw/zinc/92/68/51/582926851.db2.gz	WHHLUKOJDRKWKL-VIFPVBQESA-N	0	0	198.306	3.010	10	0		AGAERN
CC[C@@H](C)CCC(=O)O[C@@H](C)C1CC1	796887004	582926962	/nfs/dbraw/zinc/92/69/62/582926962.db2.gz	FVIVMLVOANLBSA-ZJUUUORDSA-N	0	0	198.306	3.154	10	0		AGAERN
CC[C@H](C)CCC(=O)O[C@@H]1C=CCC1	797245185	582927127	/nfs/dbraw/zinc/92/71/27/582927127.db2.gz	UZZDKDOUOCXMQH-WDEREUQCSA-N	0	0	196.290	3.075	10	0		AGAERN
CC[C@H](C)CCC(=O)O[C@H](C)C1CC1	796887001	582927154	/nfs/dbraw/zinc/92/71/54/582927154.db2.gz	FVIVMLVOANLBSA-VHSXEESVSA-N	0	0	198.306	3.154	10	0		AGAERN
CC[C@@H](C)CCC(=O)O[C@@H]1C=CCC1	797245182	582927216	/nfs/dbraw/zinc/92/72/16/582927216.db2.gz	UZZDKDOUOCXMQH-GHMZBOCLSA-N	0	0	196.290	3.075	10	0		AGAERN
CC[C@@H](C)CCC(=O)O[C@H]1C=CCC1	797245183	582927219	/nfs/dbraw/zinc/92/72/19/582927219.db2.gz	UZZDKDOUOCXMQH-MNOVXSKESA-N	0	0	196.290	3.075	10	0		AGAERN
CC[C@@H](C)CCC(=O)OC1(C)CCC1	797114037	582927238	/nfs/dbraw/zinc/92/72/38/582927238.db2.gz	GXHKWVIUJJTNDY-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
CC(C)[C@@H](C)OC(=O)C1CC(C)(C)C1	797151939	582927440	/nfs/dbraw/zinc/92/74/40/582927440.db2.gz	WHHLUKOJDRKWKL-SECBINFHSA-N	0	0	198.306	3.010	10	0		AGAERN
CC[C@H](C)CCC(=O)OCC=C(C)C	797221224	582927477	/nfs/dbraw/zinc/92/74/77/582927477.db2.gz	GZKBYVMORHHBJA-NSHDSACASA-N	0	0	198.306	3.322	10	0		AGAERN
CC[C@@H](C)CCC(=O)O[C@H](C)C1CC1	796886997	582927484	/nfs/dbraw/zinc/92/74/84/582927484.db2.gz	FVIVMLVOANLBSA-NXEZZACHSA-N	0	0	198.306	3.154	10	0		AGAERN
CC[C@H](C)CCC(=O)OC1(C)CCC1	797114034	582927517	/nfs/dbraw/zinc/92/75/17/582927517.db2.gz	GXHKWVIUJJTNDY-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
CC[C@H](C)CCC(=O)O[C@H]1C=CCC1	797245184	582927533	/nfs/dbraw/zinc/92/75/33/582927533.db2.gz	UZZDKDOUOCXMQH-QWRGUYRKSA-N	0	0	196.290	3.075	10	0		AGAERN
CC[C@@H](C)CCC(=O)OCC=C(C)C	797221223	582927557	/nfs/dbraw/zinc/92/75/57/582927557.db2.gz	GZKBYVMORHHBJA-LLVKDONJSA-N	0	0	198.306	3.322	10	0		AGAERN
C/C=C/COC(=O)CC1CCCCC1	797320734	582928225	/nfs/dbraw/zinc/92/82/25/582928225.db2.gz	BKTYLVLOQUBOGY-NSCUHMNNSA-N	0	0	196.290	3.076	10	0		AGAERN
C/C=C\COC(=O)CC1CCCCC1	797320733	582928282	/nfs/dbraw/zinc/92/82/82/582928282.db2.gz	BKTYLVLOQUBOGY-IHWYPQMZSA-N	0	0	196.290	3.076	10	0		AGAERN
CC[C@@H](C)C(=O)OCC1(C(C)C)CC1	799673198	582932739	/nfs/dbraw/zinc/93/27/39/582932739.db2.gz	TXCQOLHLLPNBRO-SNVBAGLBSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)C1(COC(=O)C(C)(C)C)CC1	799672969	582932744	/nfs/dbraw/zinc/93/27/44/582932744.db2.gz	NDGSKLCUIIAUHT-UHFFFAOYSA-N	0	0	198.306	3.012	10	0		AGAERN
CCCC(=O)OCC1(CC(C)C)CC1	799663163	582932751	/nfs/dbraw/zinc/93/27/51/582932751.db2.gz	XRRUWQAWTMFJPZ-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CC[C@H](C)C(=O)OCC1(C(C)C)CC1	799673197	582932756	/nfs/dbraw/zinc/93/27/56/582932756.db2.gz	TXCQOLHLLPNBRO-JTQLQIEISA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)CC(=O)OCC1(C(C)C)CC1	799673385	582932843	/nfs/dbraw/zinc/93/28/43/582932843.db2.gz	ZYAUYHRHJUYYTI-UHFFFAOYSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)CC1(COC(=O)C(C)C)CC1	799662580	582933089	/nfs/dbraw/zinc/93/30/89/582933089.db2.gz	QLLFUZYUQBMKQB-UHFFFAOYSA-N	0	0	198.306	3.012	10	0		AGAERN
CCCC[C@H](C)C(=O)O[C@@H](C)C1CC1	799979039	582933411	/nfs/dbraw/zinc/93/34/11/582933411.db2.gz	WUKZWMIROXJICU-UWVGGRQHSA-N	0	0	198.306	3.154	10	0		AGAERN
CCCC[C@@H](C)C(=O)O[C@@H](C)C1CC1	799979041	582933811	/nfs/dbraw/zinc/93/38/11/582933811.db2.gz	WUKZWMIROXJICU-ZJUUUORDSA-N	0	0	198.306	3.154	10	0		AGAERN
CCCC[C@H](C)C(=O)OCCC1CC1	800273673	582933833	/nfs/dbraw/zinc/93/38/33/582933833.db2.gz	GSPWWVRAGWGBKP-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
CCCCC(=O)OCC1(C(C)C)CC1	799676121	582933887	/nfs/dbraw/zinc/93/38/87/582933887.db2.gz	UNFBWFOKMFBGBM-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCCC[C@@H](C)C(=O)OCCC1CC1	800273674	582934013	/nfs/dbraw/zinc/93/40/13/582934013.db2.gz	GSPWWVRAGWGBKP-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
CC/C=C\COC(=O)[C@@H](C)CCCC	800386784	582934201	/nfs/dbraw/zinc/93/42/01/582934201.db2.gz	KQKLIQQZUMVGHG-JYKYSHPRSA-N	0	0	198.306	3.322	10	0		AGAERN
CC/C=C/COC(=O)[C@@H](C)CCCC	800386783	582934340	/nfs/dbraw/zinc/93/43/40/582934340.db2.gz	KQKLIQQZUMVGHG-IOCXFXADSA-N	0	0	198.306	3.322	10	0		AGAERN
CCCC[C@H](C)C(=O)OC1(C)CCC1	800395725	582934495	/nfs/dbraw/zinc/93/44/95/582934495.db2.gz	AJAHBZIQSPSBHC-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
CCCC[C@@H](C)C(=O)O[C@@H]1C=CCC1	800403067	582934574	/nfs/dbraw/zinc/93/45/74/582934574.db2.gz	FUCGYBQUPSRMLH-GHMZBOCLSA-N	0	0	196.290	3.075	10	0		AGAERN
CCCC[C@H](C)C(=O)OC[C@H]1C[C@H]1C	800387258	582934578	/nfs/dbraw/zinc/93/45/78/582934578.db2.gz	QFXVMKRUXCQFHW-HBNTYKKESA-N	0	0	198.306	3.012	10	0		AGAERN
CCCC[C@H](C)C(=O)OCC=C(C)C	800402159	582934604	/nfs/dbraw/zinc/93/46/04/582934604.db2.gz	DZTPMSYBWOJMOE-NSHDSACASA-N	0	0	198.306	3.322	10	0		AGAERN
CCCC[C@H](C)C(=O)OC[C@H]1C[C@@H]1C	800387257	582934618	/nfs/dbraw/zinc/93/46/18/582934618.db2.gz	QFXVMKRUXCQFHW-GARJFASQSA-N	0	0	198.306	3.012	10	0		AGAERN
CCCC[C@H](C)C(=O)OC[C@@H]1C[C@@H]1C	800387256	582934668	/nfs/dbraw/zinc/93/46/68/582934668.db2.gz	QFXVMKRUXCQFHW-DCAQKATOSA-N	0	0	198.306	3.012	10	0		AGAERN
CCCC[C@@H](C)C(=O)OCC=C(C)C	800402158	582934714	/nfs/dbraw/zinc/93/47/14/582934714.db2.gz	DZTPMSYBWOJMOE-LLVKDONJSA-N	0	0	198.306	3.322	10	0		AGAERN
CC/C=C\COC(=O)[C@H](C)CCCC	800386781	582934762	/nfs/dbraw/zinc/93/47/62/582934762.db2.gz	KQKLIQQZUMVGHG-BPOWMSRESA-N	0	0	198.306	3.322	10	0		AGAERN
CCCC[C@@H](C)C(=O)O[C@H]1C=CCC1	800403068	582934786	/nfs/dbraw/zinc/93/47/86/582934786.db2.gz	FUCGYBQUPSRMLH-MNOVXSKESA-N	0	0	196.290	3.075	10	0		AGAERN
CCCC[C@H](C)C(=O)O[C@@H]1C=CCC1	800403084	582934796	/nfs/dbraw/zinc/93/47/96/582934796.db2.gz	FUCGYBQUPSRMLH-WDEREUQCSA-N	0	0	196.290	3.075	10	0		AGAERN
CC/C=C/COC(=O)[C@H](C)CCCC	800386785	582934834	/nfs/dbraw/zinc/93/48/34/582934834.db2.gz	KQKLIQQZUMVGHG-LXSSAFMLSA-N	0	0	198.306	3.322	10	0		AGAERN
CCCC[C@H](C)C(=O)OC[C@@H]1C[C@H]1C	800387255	582934843	/nfs/dbraw/zinc/93/48/43/582934843.db2.gz	QFXVMKRUXCQFHW-AXFHLTTASA-N	0	0	198.306	3.012	10	0		AGAERN
CCCC[C@H](C)C(=O)O[C@H]1C=CCC1	800403083	582934875	/nfs/dbraw/zinc/93/48/75/582934875.db2.gz	FUCGYBQUPSRMLH-QWRGUYRKSA-N	0	0	196.290	3.075	10	0		AGAERN
CCCC[C@@H](C)C(=O)OC1(C)CCC1	800395727	582934902	/nfs/dbraw/zinc/93/49/02/582934902.db2.gz	AJAHBZIQSPSBHC-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
Cc1ccc(-c2ccoc2)c(F)c1	757565351	582937089	/nfs/dbraw/zinc/93/70/89/582937089.db2.gz	CIJWDWVRSNYIRP-UHFFFAOYSA-N	0	0	176.190	3.394	10	0		AGAERN
CC[C@@H](C)CCC(=O)OCC1(C)CC1	802825614	582937944	/nfs/dbraw/zinc/93/79/44/582937944.db2.gz	RZCFOHKNNAQEQD-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
CC[C@H](C)CCC(=O)OCC1(C)CC1	802825612	582938399	/nfs/dbraw/zinc/93/83/99/582938399.db2.gz	RZCFOHKNNAQEQD-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
COc1ccnc(C2=CCCCC2)c1	757569521	582938881	/nfs/dbraw/zinc/93/88/81/582938881.db2.gz	WQGXPZXMENEAIF-UHFFFAOYSA-N	0	0	189.258	3.048	10	0		AGAERN
CCCNc1ccc2c(ccn2C)c1	757126418	582942223	/nfs/dbraw/zinc/94/22/23/582942223.db2.gz	FQCJPPWUZGXDCD-UHFFFAOYSA-N	0	0	188.274	3.000	10	0		AGAERN
CC[C@@H](C)Nc1cc2ccccc2[nH]1	757137261	582943198	/nfs/dbraw/zinc/94/31/98/582943198.db2.gz	YQKVIENEEWPEJY-SECBINFHSA-N	0	0	188.274	3.378	10	0		AGAERN
CC(C)N(C)c1cc2ccccc2[nH]1	757137252	582943571	/nfs/dbraw/zinc/94/35/71/582943571.db2.gz	YMNUJLPQPYTWRS-UHFFFAOYSA-N	0	0	188.274	3.013	10	0		AGAERN
CC[C@H](C)Nc1cc2ccccc2[nH]1	757137264	582943823	/nfs/dbraw/zinc/94/38/23/582943823.db2.gz	YQKVIENEEWPEJY-VIFPVBQESA-N	0	0	188.274	3.378	10	0		AGAERN
CCC(=O)Cc1ccc(Cl)c(C)c1	757155978	582945733	/nfs/dbraw/zinc/94/57/33/582945733.db2.gz	GMXJBWXOZPJPCI-UHFFFAOYSA-N	0	0	196.677	3.170	10	0		AGAERN
Cc1ccc2c(c1)C1(CCC2=O)CC1	757190166	582949176	/nfs/dbraw/zinc/94/91/76/582949176.db2.gz	ULHLOWIEIGFROB-UHFFFAOYSA-N	0	0	186.254	3.003	10	0		AGAERN
C[C@@H]1CCC(=O)c2c(F)cc(F)cc21	757185173	582949317	/nfs/dbraw/zinc/94/93/17/582949317.db2.gz	ATDLYGYQOVWMKI-ZCFIWIBFSA-N	0	0	196.196	3.045	10	0		AGAERN
CC1(C)CCC(=O)c2c(F)cccc21	757185573	582949348	/nfs/dbraw/zinc/94/93/48/582949348.db2.gz	BJEDFKBCHRPTLH-UHFFFAOYSA-N	0	0	192.233	3.080	10	0		AGAERN
C[C@H]1CCC(=O)c2c(F)cc(F)cc21	757185171	582949373	/nfs/dbraw/zinc/94/93/73/582949373.db2.gz	ATDLYGYQOVWMKI-LURJTMIESA-N	0	0	196.196	3.045	10	0		AGAERN
Cc1cccc2c1C(=O)CCC2(C)C	757189582	582949381	/nfs/dbraw/zinc/94/93/81/582949381.db2.gz	RKNRVCBZFDEPKL-UHFFFAOYSA-N	0	0	188.270	3.249	10	0		AGAERN
C[C@@H]1CCC(=O)c2c(Cl)cccc21	757186046	582949422	/nfs/dbraw/zinc/94/94/22/582949422.db2.gz	GBERYXFUHPXEHQ-SSDOTTSWSA-N	0	0	194.661	3.420	10	0		AGAERN
CCc1ccc2c(c1)[C@@H](C)CCC2=O	757186226	582949472	/nfs/dbraw/zinc/94/94/72/582949472.db2.gz	HACWNXLPIIXOOO-VIFPVBQESA-N	0	0	188.270	3.329	10	0		AGAERN
Cc1cc(F)cc2c1C(=O)CC[C@H]2C	757187595	582949543	/nfs/dbraw/zinc/94/95/43/582949543.db2.gz	JZBFWFXJJMYBGO-SSDOTTSWSA-N	0	0	192.233	3.214	10	0		AGAERN
C[C@H]1CCC(=O)c2c(Cl)cccc21	757186048	582949566	/nfs/dbraw/zinc/94/95/66/582949566.db2.gz	GBERYXFUHPXEHQ-ZETCQYMHSA-N	0	0	194.661	3.420	10	0		AGAERN
CCc1ccc2c(c1)[C@H](C)CCC2=O	757186221	582949602	/nfs/dbraw/zinc/94/96/02/582949602.db2.gz	HACWNXLPIIXOOO-SECBINFHSA-N	0	0	188.270	3.329	10	0		AGAERN
Cc1ccc(F)c2cnc(Cl)cc12	757175922	582949834	/nfs/dbraw/zinc/94/98/34/582949834.db2.gz	NAPYDRMPXODDHO-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
CC1(C)CCC2(CCC[C@@H]2CO)CC1	757195906	582950039	/nfs/dbraw/zinc/95/00/39/582950039.db2.gz	PNPIPJJLXIAIMA-LLVKDONJSA-N	0	0	196.334	3.365	10	0		AGAERN
CCC/C(=C/C(=O)OCC)C1CCC1	757192560	582950182	/nfs/dbraw/zinc/95/01/82/582950182.db2.gz	WDQWFFZFQXXIIT-LUAWRHEFSA-N	0	0	196.290	3.076	10	0		AGAERN
C[C@@H]1CCC(=O)c2ccc(Cl)cc21	757192911	582950231	/nfs/dbraw/zinc/95/02/31/582950231.db2.gz	XFFXNNZGFXOMGM-SSDOTTSWSA-N	0	0	194.661	3.420	10	0		AGAERN
CCOC(=O)/C=C(\CC)C[C@H](C)CC	757191922	582950219	/nfs/dbraw/zinc/95/02/19/582950219.db2.gz	RUSYRQKFPSJCBC-OYVNLZQHSA-N	0	0	198.306	3.322	10	0		AGAERN
C[C@H]1CCC(=O)c2ccc(Cl)cc21	757192913	582950257	/nfs/dbraw/zinc/95/02/57/582950257.db2.gz	XFFXNNZGFXOMGM-ZETCQYMHSA-N	0	0	194.661	3.420	10	0		AGAERN
CC1(C)CCC2(CCC[C@H]2CO)CC1	757195914	582950359	/nfs/dbraw/zinc/95/03/59/582950359.db2.gz	PNPIPJJLXIAIMA-NSHDSACASA-N	0	0	196.334	3.365	10	0		AGAERN
CC1(C)CCC2(CCCC2=O)CC1	757195252	582950427	/nfs/dbraw/zinc/95/04/27/582950427.db2.gz	JCJXYPNGOMHKOZ-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
CC(C)=C(C)c1cccc(F)c1C=O	757572298	582957959	/nfs/dbraw/zinc/95/79/59/582957959.db2.gz	QHHFXWMPEWYHFQ-UHFFFAOYSA-N	0	0	192.233	3.452	10	0		AGAERN
COc1ccc(-c2ccoc2)cc1F	757568330	582958418	/nfs/dbraw/zinc/95/84/18/582958418.db2.gz	LXCQXFZKWUJOIS-UHFFFAOYSA-N	0	0	192.189	3.094	10	0		AGAERN
CC[C@H](C)OC(=O)CC1(C)CCCC1	808619887	582958854	/nfs/dbraw/zinc/95/88/54/582958854.db2.gz	IGOOIWHVLVGLNF-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
CC[C@@H](C)OC(=O)CC1(C)CCCC1	808619888	582958876	/nfs/dbraw/zinc/95/88/76/582958876.db2.gz	IGOOIWHVLVGLNF-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
CCCCOC(=O)CC1(C)CCCC1	808621006	582959043	/nfs/dbraw/zinc/95/90/43/582959043.db2.gz	CSHRXRZXPULILS-UHFFFAOYSA-N	0	0	198.306	3.300	10	0		AGAERN
C/C=C/COC(=O)CC1(C)CCCC1	808619833	582959241	/nfs/dbraw/zinc/95/92/41/582959241.db2.gz	GNWKAWYYGZKRQQ-ONEGZZNKSA-N	0	0	196.290	3.076	10	0		AGAERN
C/C=C\COC(=O)CC1(C)CCCC1	808619832	582959397	/nfs/dbraw/zinc/95/93/97/582959397.db2.gz	GNWKAWYYGZKRQQ-ARJAWSKDSA-N	0	0	196.290	3.076	10	0		AGAERN
CC(C)COC(=O)CC1(C)CCCC1	808622441	582959410	/nfs/dbraw/zinc/95/94/10/582959410.db2.gz	SVKYTELKHWQHED-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CC1(CC(=O)OC2CCC2)CCCC1	808989675	582960359	/nfs/dbraw/zinc/96/03/59/582960359.db2.gz	BILDPRRTMKYMBL-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
CCC[C@@H](C)c1noc([C@@H]2C[C@H]2C)n1	809358308	582960826	/nfs/dbraw/zinc/96/08/26/582960826.db2.gz	BQTLLPSCFAHOMT-IWSPIJDZSA-N	0	0	194.278	3.097	10	0		AGAERN
CCC[C@@H](C)c1noc([C@H]2C[C@@H]2C)n1	809360870	582961591	/nfs/dbraw/zinc/96/15/91/582961591.db2.gz	BQTLLPSCFAHOMT-VGMNWLOBSA-N	0	0	194.278	3.097	10	0		AGAERN
CCC[C@H](C)CC(=O)OC1CC(C)C1	813232567	582973604	/nfs/dbraw/zinc/97/36/04/582973604.db2.gz	SUZAZUFZNLTCKI-WHXUTIOJSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC[C@@H]1C[C@H]1C(=O)O[C@H](C)C(C)C	813076876	582972340	/nfs/dbraw/zinc/97/23/40/582972340.db2.gz	QKSQJSRNOBUTHO-GMTAPVOTSA-N	0	0	198.306	3.010	10	0		AGAERN
CC1(OC(=O)CCCC2CC2)CCC1	813074815	582972647	/nfs/dbraw/zinc/97/26/47/582972647.db2.gz	MVUODHFMSQTPRM-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
CC(C)=CC(=O)OCCCCC1CC1	813179334	582972722	/nfs/dbraw/zinc/97/27/22/582972722.db2.gz	XZFNWEUFVCZOEE-UHFFFAOYSA-N	0	0	196.290	3.076	10	0		AGAERN
CC(C)[C@@H](C)OC(=O)CCCC1CC1	813077175	582972838	/nfs/dbraw/zinc/97/28/38/582972838.db2.gz	UXKKGVFXNQITGA-SNVBAGLBSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)[C@H](C)OC(=O)CCCC1CC1	813077174	582972843	/nfs/dbraw/zinc/97/28/43/582972843.db2.gz	UXKKGVFXNQITGA-JTQLQIEISA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)CC(=O)OCCCCC1CC1	813179052	582972850	/nfs/dbraw/zinc/97/28/50/582972850.db2.gz	URSBCGKRABJGPV-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CC[C@H](C)C(=O)OCCCCC1CC1	813179674	582972864	/nfs/dbraw/zinc/97/28/64/582972864.db2.gz	SULSUHHEJXTXMO-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
CCC[C@@H]1C[C@H]1C(=O)O[C@@H](C)C(C)C	813076877	582972886	/nfs/dbraw/zinc/97/28/86/582972886.db2.gz	QKSQJSRNOBUTHO-HBNTYKKESA-N	0	0	198.306	3.010	10	0		AGAERN
CC[C@@H](C)C(=O)OCCCCC1CC1	813179675	582972905	/nfs/dbraw/zinc/97/29/05/582972905.db2.gz	SULSUHHEJXTXMO-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
CCCC[C@H](C)C(=O)OC1CC(C)C1	813232469	582973165	/nfs/dbraw/zinc/97/31/65/582973165.db2.gz	ICAKCNSVKPBIPH-YVNMAJEFSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)C[C@@H](C)C(=O)OC1CC(C)C1	813230428	582973397	/nfs/dbraw/zinc/97/33/97/582973397.db2.gz	SLIZUXBFRLAGAS-HSOILSAZSA-N	0	0	198.306	3.010	10	0		AGAERN
CCCC[C@@H](C)C(=O)OC1CC(C)C1	813232468	582973406	/nfs/dbraw/zinc/97/34/06/582973406.db2.gz	ICAKCNSVKPBIPH-HSOILSAZSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC(CC)CC(=O)OC1CC(C)C1	813230409	582973414	/nfs/dbraw/zinc/97/34/14/582973414.db2.gz	RSXPNGFJESJZIC-UHFFFAOYSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC(C)(C)CC(=O)OC1CC(C)C1	813231737	582973433	/nfs/dbraw/zinc/97/34/33/582973433.db2.gz	TUMHYQZIXYOTCS-UHFFFAOYSA-N	0	0	198.306	3.154	10	0		AGAERN
C/C=C(/C)C(=O)OCCCCC1CC1	813180641	582973474	/nfs/dbraw/zinc/97/34/74/582973474.db2.gz	HUIPXJZYPHPSDN-KMKOMSMNSA-N	0	0	196.290	3.076	10	0		AGAERN
CC[C@@H](C)CCC(=O)OC1CC(C)C1	813229054	582973480	/nfs/dbraw/zinc/97/34/80/582973480.db2.gz	PKYPIYJMIIVNEG-KPPDAEKUSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC(C)(CC)C(=O)OC1CC(C)C1	813234250	582973502	/nfs/dbraw/zinc/97/35/02/582973502.db2.gz	GALVPDSUPGGPDH-UHFFFAOYSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC[C@@H](C)CC(=O)OC1CC(C)C1	813232566	582973509	/nfs/dbraw/zinc/97/35/09/582973509.db2.gz	SUZAZUFZNLTCKI-KPPDAEKUSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)C[C@H](C)C(=O)OC1CC(C)C1	813230429	582973549	/nfs/dbraw/zinc/97/35/49/582973549.db2.gz	SLIZUXBFRLAGAS-YVNMAJEFSA-N	0	0	198.306	3.010	10	0		AGAERN
CC1CC(OC(=O)[C@@H](C)C(C)(C)C)C1	813230101	582973578	/nfs/dbraw/zinc/97/35/78/582973578.db2.gz	JLLNKKQVCLYQEQ-HWOCKDDLSA-N	0	0	198.306	3.010	10	0		AGAERN
CCC/C(C)=C\C(=O)OC1CC(C)C1	813230993	582973587	/nfs/dbraw/zinc/97/35/87/582973587.db2.gz	NDXQMKXKJGODAL-HJWRWDBZSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC(=CC(=O)OC1CC(C)C1)CC	813234833	582973610	/nfs/dbraw/zinc/97/36/10/582973610.db2.gz	PSTRXRWFZCKTHE-UHFFFAOYSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC/C(C)=C/C(=O)OC1CC(C)C1	813230992	582973628	/nfs/dbraw/zinc/97/36/28/582973628.db2.gz	NDXQMKXKJGODAL-CMDGGOBGSA-N	0	0	196.290	3.075	10	0		AGAERN
CC1CC(OC(=O)[C@H](C)C(C)(C)C)C1	813230102	582973631	/nfs/dbraw/zinc/97/36/31/582973631.db2.gz	JLLNKKQVCLYQEQ-KYHHOPLUSA-N	0	0	198.306	3.010	10	0		AGAERN
C/C=C(\C)C(=O)OCCCCC1CC1	813180642	582973647	/nfs/dbraw/zinc/97/36/47/582973647.db2.gz	HUIPXJZYPHPSDN-XCVCLJGOSA-N	0	0	196.290	3.076	10	0		AGAERN
CC1CC(OC(=O)C(C)(C)C(C)C)C1	813233586	582973765	/nfs/dbraw/zinc/97/37/65/582973765.db2.gz	RCCBYOSSAHWSDN-UHFFFAOYSA-N	0	0	198.306	3.010	10	0		AGAERN
CCCCCCC(=O)OC1CC(C)C1	813233024	582973769	/nfs/dbraw/zinc/97/37/69/582973769.db2.gz	UMTKHRSDCJAHKH-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
CC(C)(C)C(=O)OCCCCC1CC1	813181840	582973850	/nfs/dbraw/zinc/97/38/50/582973850.db2.gz	WGNWHQOUQCSHAS-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CC[C@H](C)CCC(=O)OC1CC(C)C1	813229055	582973901	/nfs/dbraw/zinc/97/39/01/582973901.db2.gz	PKYPIYJMIIVNEG-WHXUTIOJSA-N	0	0	198.306	3.154	10	0		AGAERN
C/C=C\COC(=O)C(C)(C)C(C)(C)C	814488102	582977762	/nfs/dbraw/zinc/97/77/62/582977762.db2.gz	UVIZLLYQLIEVKY-FPLPWBNLSA-N	0	0	198.306	3.178	10	0		AGAERN
CC(C)(C)C(C)(C)C(=O)OCC1CC1	814490152	582978244	/nfs/dbraw/zinc/97/82/44/582978244.db2.gz	OJGMIXNGKGLSHN-UHFFFAOYSA-N	0	0	198.306	3.012	10	0		AGAERN
C/C=C/COC(=O)C(C)(C)C(C)(C)C	814488101	582978267	/nfs/dbraw/zinc/97/82/67/582978267.db2.gz	UVIZLLYQLIEVKY-BQYQJAHWSA-N	0	0	198.306	3.178	10	0		AGAERN
CCCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C	816223748	582984793	/nfs/dbraw/zinc/98/47/93/582984793.db2.gz	XCMLEARBOVPXHW-HBNTYKKESA-N	0	0	198.306	3.154	10	0		AGAERN
CCCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C	816223749	582984827	/nfs/dbraw/zinc/98/48/27/582984827.db2.gz	XCMLEARBOVPXHW-OUAUKWLOSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC/C=C\C(=O)OCC1(CC)CC1	816184376	582984841	/nfs/dbraw/zinc/98/48/41/582984841.db2.gz	VNJCKJTUNQPYMA-SREVYHEPSA-N	0	0	196.290	3.076	10	0		AGAERN
CCCCCC(=O)OCC1(CC)CC1	816186873	582984874	/nfs/dbraw/zinc/98/48/74/582984874.db2.gz	SBIVCUCOZSTCKP-UHFFFAOYSA-N	0	0	198.306	3.300	10	0		AGAERN
CC/C=C(/C)C(=O)OCC1(CC)CC1	816186347	582984893	/nfs/dbraw/zinc/98/48/93/582984893.db2.gz	YGTWETHKLDQQKD-POHAHGRESA-N	0	0	196.290	3.076	10	0		AGAERN
CCC1(COC(=O)[C@@H](C)C(C)C)CC1	816185423	582984898	/nfs/dbraw/zinc/98/48/98/582984898.db2.gz	NTRVCRJSBCARKV-JTQLQIEISA-N	0	0	198.306	3.012	10	0		AGAERN
CCC1(COC(=O)CCC(C)C)CC1	816186048	582984929	/nfs/dbraw/zinc/98/49/29/582984929.db2.gz	MPTFPAGNSOJCBX-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CC(C)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C	816223287	582984931	/nfs/dbraw/zinc/98/49/31/582984931.db2.gz	RAYAUAWJYYZORU-GMTAPVOTSA-N	0	0	198.306	3.010	10	0		AGAERN
CCCC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C	816223746	582984943	/nfs/dbraw/zinc/98/49/43/582984943.db2.gz	XCMLEARBOVPXHW-GARJFASQSA-N	0	0	198.306	3.154	10	0		AGAERN
CC/C=C(\C)C(=O)OCC1(CC)CC1	816186348	582984999	/nfs/dbraw/zinc/98/49/99/582984999.db2.gz	YGTWETHKLDQQKD-UXBLZVDNSA-N	0	0	196.290	3.076	10	0		AGAERN
CCCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C	816223747	582985097	/nfs/dbraw/zinc/98/50/97/582985097.db2.gz	XCMLEARBOVPXHW-GMTAPVOTSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC1(COC(=O)CC(C)(C)C)CC1	816184532	582985123	/nfs/dbraw/zinc/98/51/23/582985123.db2.gz	CIUPXWGPOIUUSL-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC/C=C/C(=O)OCC1(CC)CC1	816184377	582985146	/nfs/dbraw/zinc/98/51/46/582985146.db2.gz	VNJCKJTUNQPYMA-VOTSOKGWSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC(CC)C(=O)OCC1(CC)CC1	816183497	582985149	/nfs/dbraw/zinc/98/51/49/582985149.db2.gz	POCGZNLOENQUMB-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
C/C=C(\CC)C(=O)OCC1(CC)CC1	816183168	582985161	/nfs/dbraw/zinc/98/51/61/582985161.db2.gz	CSEWDKHRGWQENU-ONNFQVAWSA-N	0	0	196.290	3.076	10	0		AGAERN
CC(C)C(=O)O[C@H]1C[C@H](C)CC[C@@H]1C	816223290	582985164	/nfs/dbraw/zinc/98/51/64/582985164.db2.gz	RAYAUAWJYYZORU-VWYCJHECSA-N	0	0	198.306	3.010	10	0		AGAERN
CCC1(COC(=O)[C@H](C)C(C)C)CC1	816185424	582985216	/nfs/dbraw/zinc/98/52/16/582985216.db2.gz	NTRVCRJSBCARKV-SNVBAGLBSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)C(=O)O[C@H]1C[C@H](C)CC[C@H]1C	816223288	582985252	/nfs/dbraw/zinc/98/52/52/582985252.db2.gz	RAYAUAWJYYZORU-MXWKQRLJSA-N	0	0	198.306	3.010	10	0		AGAERN
CC[C@H](C)CC(=O)OCC1(CC)CC1	816185395	582985313	/nfs/dbraw/zinc/98/53/13/582985313.db2.gz	MSSCCIHSOVCZKE-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
CCC1(COC(=O)C(C)(C)CC)CC1	816185437	582985357	/nfs/dbraw/zinc/98/53/57/582985357.db2.gz	OJIXVFQERNXAPG-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CC[C@@H](C)CC(=O)OCC1(CC)CC1	816185396	582985386	/nfs/dbraw/zinc/98/53/86/582985386.db2.gz	MSSCCIHSOVCZKE-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
C/C=C(/CC)C(=O)OCC1(CC)CC1	816183169	582985390	/nfs/dbraw/zinc/98/53/90/582985390.db2.gz	CSEWDKHRGWQENU-WMZJFQQLSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC[C@H](C)C(=O)OCC1(CC)CC1	816187198	582985399	/nfs/dbraw/zinc/98/53/99/582985399.db2.gz	HBYZZHGKFIIMQL-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
CCC[C@@H](C)C(=O)OCC1(CC)CC1	816187199	582985402	/nfs/dbraw/zinc/98/54/02/582985402.db2.gz	HBYZZHGKFIIMQL-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
CC(C)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C	816223289	582985438	/nfs/dbraw/zinc/98/54/38/582985438.db2.gz	RAYAUAWJYYZORU-OUAUKWLOSA-N	0	0	198.306	3.010	10	0		AGAERN
Cc1sccc1C[N@@H+]1CCC1(C)C	816512965	582986099	/nfs/dbraw/zinc/98/60/99/582986099.db2.gz	ARIUCGOHFWKRGL-UHFFFAOYSA-N	0	0	195.331	3.041	10	0		AGAERN
CCSCC[C@@H]1CC1(Cl)Cl	818151724	583005163	/nfs/dbraw/zinc/00/51/63/583005163.db2.gz	HIXAAFXELAIHFF-ZCFIWIBFSA-N	0	0	199.146	3.323	10	0		AGAERN
CCSCC[C@H]1CC1(Cl)Cl	818151720	583005530	/nfs/dbraw/zinc/00/55/30/583005530.db2.gz	HIXAAFXELAIHFF-LURJTMIESA-N	0	0	199.146	3.323	10	0		AGAERN
CCCCCCNC(=O)/C=C(\C)CC	822346213	583035483	/nfs/dbraw/zinc/03/54/83/583035483.db2.gz	GFRDRJHVWKHROE-ZHACJKMWSA-N	0	0	197.322	3.039	10	0		AGAERN
CCCCCCNC(=O)/C=C(/C)CC	822346212	583035620	/nfs/dbraw/zinc/03/56/20/583035620.db2.gz	GFRDRJHVWKHROE-KHPPLWFESA-N	0	0	197.322	3.039	10	0		AGAERN
CCN(C(=O)CCCC(C)C)C(C)C	822655989	583036895	/nfs/dbraw/zinc/03/68/95/583036895.db2.gz	GKZJBQTUBUTBAI-UHFFFAOYSA-N	0	0	199.338	3.070	10	0		AGAERN
CC/C(C)=C/C(=O)NC(C)(CC)CC	823314701	583040676	/nfs/dbraw/zinc/04/06/76/583040676.db2.gz	LKCVMNPGAIZZRF-MDZDMXLPSA-N	0	0	197.322	3.038	10	0		AGAERN
CC/C(C)=C\C(=O)NC(C)(CC)CC	823314700	583040130	/nfs/dbraw/zinc/04/01/30/583040130.db2.gz	LKCVMNPGAIZZRF-KTKRTIGZSA-N	0	0	197.322	3.038	10	0		AGAERN
CC[C@@H](C)C(=O)OC1CCCCCC1	825302695	583047163	/nfs/dbraw/zinc/04/71/63/583047163.db2.gz	CVLOBLHWABVQDY-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
CC[C@H](C)C(=O)OC1CCCCCC1	825302693	583047363	/nfs/dbraw/zinc/04/73/63/583047363.db2.gz	CVLOBLHWABVQDY-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
CC(C)(C)C(=O)OC1CCCCCC1	825302708	583047388	/nfs/dbraw/zinc/04/73/88/583047388.db2.gz	CZNAHIKIUVBMDV-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
CC(C)CC(=O)OC1CCCCCC1	825302645	583047399	/nfs/dbraw/zinc/04/73/99/583047399.db2.gz	BFWCJHSPZLVGBO-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
O=C(OC1CCCCCC1)C1CCC1	825302745	583047425	/nfs/dbraw/zinc/04/74/25/583047425.db2.gz	DUBPMVPVOISJAD-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
CON(CC1=CCCC1)CC(C)(C)C	828531184	583059171	/nfs/dbraw/zinc/05/91/71/583059171.db2.gz	HKZIGGDJVCPUJQ-UHFFFAOYSA-N	0	0	197.322	3.006	10	0		AGAERN
Cc1nc(C)c(CSCC(C)C)o1	828519114	583059430	/nfs/dbraw/zinc/05/94/30/583059430.db2.gz	FYQQEZLPRXXGJV-UHFFFAOYSA-N	0	0	199.319	3.181	10	0		AGAERN
CC(C)C(C)(C)SCn1cccn1	829481456	583062855	/nfs/dbraw/zinc/06/28/55/583062855.db2.gz	MMZSTWDKSPNTAZ-UHFFFAOYSA-N	0	0	198.335	3.008	10	0		AGAERN
CC(C)C(C)(C)SCc1cc[nH]n1	829481495	583063114	/nfs/dbraw/zinc/06/31/14/583063114.db2.gz	OWNVFPIZRGFSMZ-UHFFFAOYSA-N	0	0	198.335	3.078	10	0		AGAERN
Cc1nc(C)c(CSC2CCC2)o1	829741764	583063591	/nfs/dbraw/zinc/06/35/91/583063591.db2.gz	AOULNNIVFLRQNL-UHFFFAOYSA-N	0	0	197.303	3.077	10	0		AGAERN
CC(C)SCCSC1CCC1	829741865	583063668	/nfs/dbraw/zinc/06/36/68/583063668.db2.gz	DMQZZFVGROWLPG-UHFFFAOYSA-N	0	0	190.377	3.414	10	0		AGAERN
CCOCSc1ccc(C)s1	830056727	583065568	/nfs/dbraw/zinc/06/55/68/583065568.db2.gz	HTIQUQNXWUZTQG-UHFFFAOYSA-N	0	0	188.317	3.143	10	0		AGAERN
CCC[C@@H](OC(C)=O)c1ccccc1	1597441	583080827	/nfs/dbraw/zinc/08/08/27/583080827.db2.gz	FZCGNBBHTVBPLM-GFCCVEGCSA-N	0	0	192.258	3.091	10	0		AGAERN
CCC(CC)C(=O)OCC(C)(C)C	1587679	583080874	/nfs/dbraw/zinc/08/08/74/583080874.db2.gz	XHJQDAIQDCPOBT-UHFFFAOYSA-N	0	0	186.295	3.012	10	0		AGAERN
C/C(=C\C(C)(C)C)C(=O)OCC(C)C	101227412	583084837	/nfs/dbraw/zinc/08/48/37/583084837.db2.gz	VLZPKVKMZWSPHE-JXMROGBWSA-N	0	0	198.306	3.178	10	0		AGAERN
C/C(=C/C(C)(C)C)C(=O)OCC(C)C	101227409	583084918	/nfs/dbraw/zinc/08/49/18/583084918.db2.gz	VLZPKVKMZWSPHE-YFHOEESVSA-N	0	0	198.306	3.178	10	0		AGAERN
CCCCOC(=O)c1ccsc1C	835077340	583094585	/nfs/dbraw/zinc/09/45/85/583094585.db2.gz	CRCXIVSSHXWSRI-UHFFFAOYSA-N	0	0	198.287	3.013	10	0		AGAERN
CC(C)CCCC(=O)O[C@H](C)C1CC1	835102629	583096108	/nfs/dbraw/zinc/09/61/08/583096108.db2.gz	FZPULPSCNSSSRD-SNVBAGLBSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)CCCC(=O)O[C@@H](C)C1CC1	835102628	583096277	/nfs/dbraw/zinc/09/62/77/583096277.db2.gz	FZPULPSCNSSSRD-JTQLQIEISA-N	0	0	198.306	3.154	10	0		AGAERN
CC[C@H](C)[C@H](CC)OC(=O)C(C)C	835586549	583099208	/nfs/dbraw/zinc/09/92/08/583099208.db2.gz	FUVHWLMEAVXKSR-UWVGGRQHSA-N	0	0	186.295	3.010	10	0		AGAERN
CC[C@H](C)[C@@H](CC)OC(=O)C(C)C	835586550	583099345	/nfs/dbraw/zinc/09/93/45/583099345.db2.gz	FUVHWLMEAVXKSR-VHSXEESVSA-N	0	0	186.295	3.010	10	0		AGAERN
CC[C@@H](C)[C@@H](CC)OC(=O)C(C)C	835586548	583099507	/nfs/dbraw/zinc/09/95/07/583099507.db2.gz	FUVHWLMEAVXKSR-NXEZZACHSA-N	0	0	186.295	3.010	10	0		AGAERN
CC[C@H](OC(=O)C(C)C)[C@H](C)CC	835586552	583099547	/nfs/dbraw/zinc/09/95/47/583099547.db2.gz	FUVHWLMEAVXKSR-ZJUUUORDSA-N	0	0	186.295	3.010	10	0		AGAERN
CC(C)C(=O)OCCC1=CCCCC1	835720472	583099862	/nfs/dbraw/zinc/09/98/62/583099862.db2.gz	BQGPRSKDUGMMMC-UHFFFAOYSA-N	0	0	196.290	3.076	10	0		AGAERN
CCCC(=O)OCCC1=CCCCC1	835722081	583100165	/nfs/dbraw/zinc/10/01/65/583100165.db2.gz	DMAGVGDQKOTPRC-UHFFFAOYSA-N	0	0	196.290	3.220	10	0		AGAERN
CCC[C@H](OC(C)=O)c1ccccc1	3080807	583102438	/nfs/dbraw/zinc/10/24/38/583102438.db2.gz	FZCGNBBHTVBPLM-LBPRGKRZSA-N	0	0	192.258	3.091	10	0		AGAERN
CCCC[C@@H](CC)c1nc(CC)no1	841731761	583118506	/nfs/dbraw/zinc/11/85/06/583118506.db2.gz	FENLCBVKCNBSAU-SECBINFHSA-N	0	0	196.294	3.316	10	0		AGAERN
CCCC[C@H](CC)c1nc(CC)no1	841731763	583118597	/nfs/dbraw/zinc/11/85/97/583118597.db2.gz	FENLCBVKCNBSAU-VIFPVBQESA-N	0	0	196.294	3.316	10	0		AGAERN
c1ccc(-c2ccc3cc[nH]c3c2)nc1	104685331	583122298	/nfs/dbraw/zinc/12/22/98/583122298.db2.gz	AOVSHXWWXNRHBE-UHFFFAOYSA-N	0	0	194.237	3.230	10	0		AGAERN
CC(C)SCC1CC(F)(F)C1	842171042	583122462	/nfs/dbraw/zinc/12/24/62/583122462.db2.gz	FTTSZHUBWPICSX-UHFFFAOYSA-N	0	0	180.263	3.173	10	0		AGAERN
c1ccc(-c2cccc3cc[nH]c23)nc1	104685334	583122698	/nfs/dbraw/zinc/12/26/98/583122698.db2.gz	KFKUHRDIQZWKPK-UHFFFAOYSA-N	0	0	194.237	3.230	10	0		AGAERN
CCCSCC1CC(F)(F)C1	842170741	583122705	/nfs/dbraw/zinc/12/27/05/583122705.db2.gz	DFEGFGFXERJYFP-UHFFFAOYSA-N	0	0	180.263	3.175	10	0		AGAERN
C/C=C(/C)COC(=O)C1CCCCC1	842849935	583130696	/nfs/dbraw/zinc/13/06/96/583130696.db2.gz	GSWUCAOKSZQOKV-KMKOMSMNSA-N	0	0	196.290	3.076	10	0		AGAERN
C/C=C(\C)COC(=O)C1CCCCC1	842849936	583130877	/nfs/dbraw/zinc/13/08/77/583130877.db2.gz	GSWUCAOKSZQOKV-XCVCLJGOSA-N	0	0	196.290	3.076	10	0		AGAERN
CCCCCCC(=O)N(C)C(C)(C)C	843712253	583135154	/nfs/dbraw/zinc/13/51/54/583135154.db2.gz	FDTYLEXWRKLPRT-UHFFFAOYSA-N	0	0	199.338	3.214	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1OC(=O)C(C)C	844258932	583139796	/nfs/dbraw/zinc/13/97/96/583139796.db2.gz	NSQAWJRQTWSCHV-MNOVXSKESA-N	0	0	198.306	3.154	10	0		AGAERN
CC[C@@H]1CCCC[C@H]1OC(=O)C(C)C	844258931	583139845	/nfs/dbraw/zinc/13/98/45/583139845.db2.gz	NSQAWJRQTWSCHV-GHMZBOCLSA-N	0	0	198.306	3.154	10	0		AGAERN
CC[C@H]1CCCC[C@@H]1OC(=O)C(C)C	844258933	583140045	/nfs/dbraw/zinc/14/00/45/583140045.db2.gz	NSQAWJRQTWSCHV-QWRGUYRKSA-N	0	0	198.306	3.154	10	0		AGAERN
CC[C@H]1CCCC[C@H]1OC(=O)C(C)C	844258934	583140156	/nfs/dbraw/zinc/14/01/56/583140156.db2.gz	NSQAWJRQTWSCHV-WDEREUQCSA-N	0	0	198.306	3.154	10	0		AGAERN
CCCC(C)(C)C(=O)O[C@@H](C)C1CC1	844458814	583142927	/nfs/dbraw/zinc/14/29/27/583142927.db2.gz	OORJNFQIAWSORU-VIFPVBQESA-N	0	0	198.306	3.154	10	0		AGAERN
CCc1ccc(N(CC)CC)cc1	5327926	583147684	/nfs/dbraw/zinc/14/76/84/583147684.db2.gz	CFWHSBCRIFAIEI-UHFFFAOYSA-N	0	0	177.291	3.095	10	0		AGAERN
CCCCCCn1cc(C2CC2)cn1	844771203	583148004	/nfs/dbraw/zinc/14/80/04/583148004.db2.gz	KNSXXTILQYLIOB-UHFFFAOYSA-N	0	0	192.306	3.341	10	0		AGAERN
CCCC(C)(C)C(=O)OCCC1CC1	845356368	583149621	/nfs/dbraw/zinc/14/96/21/583149621.db2.gz	GHMNLJVBIJERCO-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCSc1nc(CC)c(C)s1	845323216	583149630	/nfs/dbraw/zinc/14/96/30/583149630.db2.gz	ATSZVGCEYYKUIB-UHFFFAOYSA-N	0	0	187.333	3.126	10	0		AGAERN
CCCC(C)(C)C(=O)O[C@@H]1C=CCC1	845508394	583149999	/nfs/dbraw/zinc/14/99/99/583149999.db2.gz	GJDNEAFMNQLMQY-SNVBAGLBSA-N	0	0	196.290	3.075	10	0		AGAERN
CCCC(C)(C)C(=O)OC[C@H]1C[C@H]1C	845455778	583150285	/nfs/dbraw/zinc/15/02/85/583150285.db2.gz	RAGHVVZCVHJTHA-NXEZZACHSA-N	0	0	198.306	3.012	10	0		AGAERN
CCCC(C)(C)C(=O)OC[C@@H]1C[C@H]1C	845455781	583150362	/nfs/dbraw/zinc/15/03/62/583150362.db2.gz	RAGHVVZCVHJTHA-ZJUUUORDSA-N	0	0	198.306	3.012	10	0		AGAERN
CCCC(C)(C)C(=O)OC[C@H]1C[C@@H]1C	845455780	583150394	/nfs/dbraw/zinc/15/03/94/583150394.db2.gz	RAGHVVZCVHJTHA-VHSXEESVSA-N	0	0	198.306	3.012	10	0		AGAERN
CCCC(C)(C)C(=O)O[C@H]1C=CCC1	845508392	583150397	/nfs/dbraw/zinc/15/03/97/583150397.db2.gz	GJDNEAFMNQLMQY-JTQLQIEISA-N	0	0	196.290	3.075	10	0		AGAERN
CCCC(C)(C)C(=O)OC[C@@H]1C[C@@H]1C	845455779	583150467	/nfs/dbraw/zinc/15/04/67/583150467.db2.gz	RAGHVVZCVHJTHA-UWVGGRQHSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC(=O)O[C@H]1CCCC12CCCC2	845735322	583151562	/nfs/dbraw/zinc/15/15/62/583151562.db2.gz	YVBNKHNCBDUKDA-JTQLQIEISA-N	0	0	196.290	3.053	10	0		AGAERN
CCC(=O)O[C@@H]1CCCC12CCCC2	845735323	583151753	/nfs/dbraw/zinc/15/17/53/583151753.db2.gz	YVBNKHNCBDUKDA-SNVBAGLBSA-N	0	0	196.290	3.053	10	0		AGAERN
CC(C)C(=O)OCCC(C)(C)C1CC1	845884640	583152637	/nfs/dbraw/zinc/15/26/37/583152637.db2.gz	QIQJVOITZGOPLN-UHFFFAOYSA-N	0	0	198.306	3.012	10	0		AGAERN
CCCC(=O)O[C@H](C)C1CCCCC1	5819636	583158850	/nfs/dbraw/zinc/15/88/50/583158850.db2.gz	FTMSYMOBBRINAR-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
CCCCCCn1cc(CC)cn1	848517488	583169062	/nfs/dbraw/zinc/16/90/62/583169062.db2.gz	DQXGKKRKMQPONG-UHFFFAOYSA-N	0	0	180.295	3.026	10	0		AGAERN
CCc1ccccc1-c1cnc(C)o1	848953014	583170569	/nfs/dbraw/zinc/17/05/69/583170569.db2.gz	ZEJMGDROWBNEOI-UHFFFAOYSA-N	0	0	187.242	3.212	10	0		AGAERN
CCc1ccc(-c2cnc(C)o2)cc1	848952829	583170637	/nfs/dbraw/zinc/17/06/37/583170637.db2.gz	JDZYXARFUXJPJQ-UHFFFAOYSA-N	0	0	187.242	3.212	10	0		AGAERN
Cc1ncc(-c2ccc3c(c2)CCC3)o1	848952903	583171029	/nfs/dbraw/zinc/17/10/29/583171029.db2.gz	OOVBUBGQCFACLK-UHFFFAOYSA-N	0	0	199.253	3.139	10	0		AGAERN
Cc1ccc(C)c(-c2cnc(C)o2)c1	848952922	583171187	/nfs/dbraw/zinc/17/11/87/583171187.db2.gz	QLENTUCYWNEALH-UHFFFAOYSA-N	0	0	187.242	3.267	10	0		AGAERN
C1CCC(S[C@@H]2CCSC2)C1	849856572	583183418	/nfs/dbraw/zinc/18/34/18/583183418.db2.gz	FOCGNFZPCWSPNC-SECBINFHSA-N	0	0	188.361	3.168	10	0		AGAERN
C1CCC(S[C@H]2CCSC2)C1	849856573	583183291	/nfs/dbraw/zinc/18/32/91/583183291.db2.gz	FOCGNFZPCWSPNC-VIFPVBQESA-N	0	0	188.361	3.168	10	0		AGAERN
CON(CCC=C(C)C)CC(C)(C)C	852039299	583203502	/nfs/dbraw/zinc/20/35/02/583203502.db2.gz	FGFHJKRHIVLSHN-UHFFFAOYSA-N	0	0	199.338	3.252	10	0		AGAERN
CON(CCC1CCC1)CC(C)(C)C	852039874	583204301	/nfs/dbraw/zinc/20/43/01/583204301.db2.gz	HWUKXDFTRAFVLT-UHFFFAOYSA-N	0	0	199.338	3.086	10	0		AGAERN
CC(C)C(C)(C)Sc1cnccn1	853535295	583225796	/nfs/dbraw/zinc/22/57/96/583225796.db2.gz	VPBXZDXDHGHGCB-UHFFFAOYSA-N	0	0	196.319	3.003	10	0		AGAERN
CCc1cnc(-c2coc(C)c2)s1	854199919	583234513	/nfs/dbraw/zinc/23/45/13/583234513.db2.gz	ISSGNLTUFXQIMS-UHFFFAOYSA-N	0	0	193.271	3.274	10	0		AGAERN
CCc1cccc(-c2coc(C)c2)n1	854199985	583234811	/nfs/dbraw/zinc/23/48/11/583234811.db2.gz	KUGWKKYBBXBEOO-UHFFFAOYSA-N	0	0	187.242	3.212	10	0		AGAERN
Cc1cnc(-c2coc(C)c2)c(C)c1	854200893	583235235	/nfs/dbraw/zinc/23/52/35/583235235.db2.gz	ZVZJCWITEBETKX-UHFFFAOYSA-N	0	0	187.242	3.267	10	0		AGAERN
CCCCOC(=O)CC1=CCCCC1	113315687	583247660	/nfs/dbraw/zinc/24/76/60/583247660.db2.gz	DVPKDAIMDKQQGR-UHFFFAOYSA-N	0	0	196.290	3.220	10	0		AGAERN
CCC[C@@H](C)OC(=O)C(C)=C(C)C	114736696	583260086	/nfs/dbraw/zinc/26/00/86/583260086.db2.gz	HLVYAVABSGPNCJ-SECBINFHSA-N	0	0	184.279	3.075	10	0		AGAERN
CCC[C@H](C)OC(=O)C(C)=C(C)C	114736698	583260232	/nfs/dbraw/zinc/26/02/32/583260232.db2.gz	HLVYAVABSGPNCJ-VIFPVBQESA-N	0	0	184.279	3.075	10	0		AGAERN
Fc1ccc(C2CC2)c(Cl)c1	200322629	583272686	/nfs/dbraw/zinc/27/26/86/583272686.db2.gz	CYQPSUYMGVULOB-UHFFFAOYSA-N	0	0	170.614	3.357	10	0		AGAERN
C/C=C/CNc1nc(C)ccc1Cl	858799927	583273485	/nfs/dbraw/zinc/27/34/85/583273485.db2.gz	GTNVUDXZRAVZIH-ONEGZZNKSA-N	0	0	196.681	3.031	10	0		AGAERN
C/C=C\CNc1nc(C)ccc1Cl	858799926	583273722	/nfs/dbraw/zinc/27/37/22/583273722.db2.gz	GTNVUDXZRAVZIH-ARJAWSKDSA-N	0	0	196.681	3.031	10	0		AGAERN
CCCOC(=O)C(C)(C)C(C)(C)C	200805093	583279661	/nfs/dbraw/zinc/27/96/61/583279661.db2.gz	HDEMLOMCRDCKCI-UHFFFAOYSA-N	0	0	186.295	3.012	10	0		AGAERN
Cc1csc(SC[C@H]2C[C@@H]2C)n1	863249512	583307068	/nfs/dbraw/zinc/30/70/68/583307068.db2.gz	CPSLJWXENFMGDQ-POYBYMJQSA-N	0	0	199.344	3.200	10	0		AGAERN
Cc1csc(SC[C@H]2C[C@H]2C)n1	863249511	583307458	/nfs/dbraw/zinc/30/74/58/583307458.db2.gz	CPSLJWXENFMGDQ-HTRCEHHLSA-N	0	0	199.344	3.200	10	0		AGAERN
Cc1csc(SC[C@@H]2C[C@@H]2C)n1	863249514	583307596	/nfs/dbraw/zinc/30/75/96/583307596.db2.gz	CPSLJWXENFMGDQ-XPUUQOCRSA-N	0	0	199.344	3.200	10	0		AGAERN
Cc1csc(SC[C@@H]2C[C@H]2C)n1	863249513	583307652	/nfs/dbraw/zinc/30/76/52/583307652.db2.gz	CPSLJWXENFMGDQ-SVRRBLITSA-N	0	0	199.344	3.200	10	0		AGAERN
CCCOCSc1cccs1	863290928	583307655	/nfs/dbraw/zinc/30/76/55/583307655.db2.gz	GIURKYHHKUJQFQ-UHFFFAOYSA-N	0	0	188.317	3.224	10	0		AGAERN
CC(C)CSCc1ccnc(F)c1	863226697	583307669	/nfs/dbraw/zinc/30/76/69/583307669.db2.gz	OZPCPOKPHKWUNT-UHFFFAOYSA-N	0	0	199.294	3.110	10	0		AGAERN
CCCOCSC1CCCC1	863226413	583307739	/nfs/dbraw/zinc/30/77/39/583307739.db2.gz	FEANMANZROTDTK-UHFFFAOYSA-N	0	0	174.309	3.046	10	0		AGAERN
CCSCCSC[C@H]1C[C@@H]1C	863321377	583307971	/nfs/dbraw/zinc/30/79/71/583307971.db2.gz	QADRLEMKJNAIRW-DTWKUNHWSA-N	0	0	190.377	3.129	10	0		AGAERN
CCSCCSC[C@@H]1C[C@@H]1C	863321378	583308007	/nfs/dbraw/zinc/30/80/07/583308007.db2.gz	QADRLEMKJNAIRW-IUCAKERBSA-N	0	0	190.377	3.129	10	0		AGAERN
CC/C=C(/C)C(=O)O[C@H](C)CCC	14592830	583308249	/nfs/dbraw/zinc/30/82/49/583308249.db2.gz	HPKANHQEOBMBEF-UJICNMFASA-N	0	0	184.279	3.075	10	0		AGAERN
CCSCCSC[C@H]1C[C@H]1C	863321379	583308290	/nfs/dbraw/zinc/30/82/90/583308290.db2.gz	QADRLEMKJNAIRW-RKDXNWHRSA-N	0	0	190.377	3.129	10	0		AGAERN
Fc1cc(CSC2CCC2)ccn1	863343708	583308309	/nfs/dbraw/zinc/30/83/09/583308309.db2.gz	JMLGLUPTLFGRHW-UHFFFAOYSA-N	0	0	197.278	3.006	10	0		AGAERN
CCSCCSC[C@@H]1C[C@H]1C	863321376	583308397	/nfs/dbraw/zinc/30/83/97/583308397.db2.gz	QADRLEMKJNAIRW-BDAKNGLRSA-N	0	0	190.377	3.129	10	0		AGAERN
CCCCCSCOCCC	863319189	583308495	/nfs/dbraw/zinc/30/84/95/583308495.db2.gz	HPCYCLLVDUPHRC-UHFFFAOYSA-N	0	0	176.325	3.294	10	0		AGAERN
CC/C=C(/C)C(=O)O[C@@H](C)CCC	14592831	583308565	/nfs/dbraw/zinc/30/85/65/583308565.db2.gz	HPKANHQEOBMBEF-RNKPRXRFSA-N	0	0	184.279	3.075	10	0		AGAERN
Cc1cnc(CSCCC(C)C)o1	863393008	583308737	/nfs/dbraw/zinc/30/87/37/583308737.db2.gz	MMXNHQXXMNWFCE-UHFFFAOYSA-N	0	0	199.319	3.262	10	0		AGAERN
CCOCS[C@@H](C)c1ccccc1	863376937	583308764	/nfs/dbraw/zinc/30/87/64/583308764.db2.gz	KZYBHGZYLWGLCP-JTQLQIEISA-N	0	0	196.315	3.475	10	0		AGAERN
CSCSC[C@H]1C[C@@H]2C[C@@H]2C1	863355635	583309087	/nfs/dbraw/zinc/30/90/87/583309087.db2.gz	UHDDEOHBWCQQAN-AYMMMOKOSA-N	0	0	188.361	3.086	10	0		AGAERN
CCCCSCc1ccnc(F)c1	863392606	583309095	/nfs/dbraw/zinc/30/90/95/583309095.db2.gz	DSGJVPGLIAWLJI-UHFFFAOYSA-N	0	0	199.294	3.254	10	0		AGAERN
C/C=C\CSCc1ccnc(F)c1	863393450	583309220	/nfs/dbraw/zinc/30/92/20/583309220.db2.gz	GBTYDXBEUCPVQF-IHWYPQMZSA-N	0	0	197.278	3.030	10	0		AGAERN
CCSCSCc1ccccn1	863356951	583309244	/nfs/dbraw/zinc/30/92/44/583309244.db2.gz	SITHTNIZEBBAOQ-UHFFFAOYSA-N	0	0	199.344	3.025	10	0		AGAERN
C/C=C/CSCc1ccnc(F)c1	863393451	583309538	/nfs/dbraw/zinc/30/95/38/583309538.db2.gz	GBTYDXBEUCPVQF-NSCUHMNNSA-N	0	0	197.278	3.030	10	0		AGAERN
Cc1cnc(CSCC2CCC2)o1	863396705	583309759	/nfs/dbraw/zinc/30/97/59/583309759.db2.gz	MXMVBALXSOWNLS-UHFFFAOYSA-N	0	0	197.303	3.016	10	0		AGAERN
Cc1cnc(CSCCC2CC2)o1	863395430	583310081	/nfs/dbraw/zinc/31/00/81/583310081.db2.gz	DTIBVKDSICKCSA-UHFFFAOYSA-N	0	0	197.303	3.016	10	0		AGAERN
CCCc1ccccc1-c1ncco1	863732350	583313370	/nfs/dbraw/zinc/31/33/70/583313370.db2.gz	RFZVIMKOMJXTEK-UHFFFAOYSA-N	0	0	187.242	3.294	10	0		AGAERN
Cc1cc(-c2nc(C)c(C)s2)co1	863723363	583313395	/nfs/dbraw/zinc/31/33/95/583313395.db2.gz	XQHRKJQBSINXDX-UHFFFAOYSA-N	0	0	193.271	3.328	10	0		AGAERN
Cc1cc(-c2cnc(C3CC3)o2)co1	863977251	583314903	/nfs/dbraw/zinc/31/49/03/583314903.db2.gz	XHJWHQWRHWJVET-UHFFFAOYSA-N	0	0	189.214	3.120	10	0		AGAERN
c1cc(-c2ccoc2)c2c(n1)CCCC2	864537746	583320398	/nfs/dbraw/zinc/32/03/98/583320398.db2.gz	LVZCORKEWBLCPP-UHFFFAOYSA-N	0	0	199.253	3.220	10	0		AGAERN
CCCSCCC[C@H](O)CCC	865381120	583325786	/nfs/dbraw/zinc/32/57/86/583325786.db2.gz	GRNFIBAWBDPJOH-SNVBAGLBSA-N	0	0	190.352	3.071	10	0		AGAERN
c1cc(CSCCCC2CC2)on1	865278845	583323487	/nfs/dbraw/zinc/32/34/87/583323487.db2.gz	PCLLQJHRCXGYQM-UHFFFAOYSA-N	0	0	197.303	3.098	10	0		AGAERN
CCCSCc1coc(C2CC2)n1	865278086	583323725	/nfs/dbraw/zinc/32/37/25/583323725.db2.gz	MKTBQQHVFDZBIN-UHFFFAOYSA-N	0	0	197.303	3.195	10	0		AGAERN
CCOC(=O)/C=C(/C)C1CCCCC1	205297953	583323853	/nfs/dbraw/zinc/32/38/53/583323853.db2.gz	QYHINSWQNUZZDQ-KTKRTIGZSA-N	0	0	196.290	3.076	10	0		AGAERN
CCCC[C@@]1(O)C=CC(C)(C)CC1	205212897	583323967	/nfs/dbraw/zinc/32/39/67/583323967.db2.gz	BACSJQJIGZQRCA-GFCCVEGCSA-N	0	0	182.307	3.284	10	0		AGAERN
COCC(C)(C)CSCC(C)C	865343659	583324465	/nfs/dbraw/zinc/32/44/65/583324465.db2.gz	NZJQWXCRXGCFPB-UHFFFAOYSA-N	0	0	190.352	3.048	10	0		AGAERN
CC(C)SCc1coc(C2CC2)n1	865280314	583324614	/nfs/dbraw/zinc/32/46/14/583324614.db2.gz	ZDQCTHRVFPXZLT-UHFFFAOYSA-N	0	0	197.303	3.194	10	0		AGAERN
CC(C)COCSc1ccccc1	865341933	583324923	/nfs/dbraw/zinc/32/49/23/583324923.db2.gz	AFJGUUNORSHGQS-UHFFFAOYSA-N	0	0	196.315	3.409	10	0		AGAERN
CC/C=C/CCn1cc(C)nc1CC	865392824	583325321	/nfs/dbraw/zinc/32/53/21/583325321.db2.gz	BBMJBLHZVDWHAQ-VOTSOKGWSA-N	0	0	192.306	3.110	10	0		AGAERN
CCCSCCC[C@@H](O)CCC	865381119	583325401	/nfs/dbraw/zinc/32/54/01/583325401.db2.gz	GRNFIBAWBDPJOH-JTQLQIEISA-N	0	0	190.352	3.071	10	0		AGAERN
CC/C=C\CCn1cc(C)nc1CC	865392823	583325504	/nfs/dbraw/zinc/32/55/04/583325504.db2.gz	BBMJBLHZVDWHAQ-SREVYHEPSA-N	0	0	192.306	3.110	10	0		AGAERN
CCc1sc(-c2ccco2)nc1C	871598321	583352287	/nfs/dbraw/zinc/35/22/87/583352287.db2.gz	LVCOAANYMJSPNK-UHFFFAOYSA-N	0	0	193.271	3.274	10	0		AGAERN
Cc1conc1CS[C@H](C)C(C)C	871655107	583352846	/nfs/dbraw/zinc/35/28/46/583352846.db2.gz	LDZRCJHMEMVJSB-SECBINFHSA-N	0	0	199.319	3.261	10	0		AGAERN
CCC(CC)SCc1nocc1C	871651521	583352875	/nfs/dbraw/zinc/35/28/75/583352875.db2.gz	GSTGNQTXIRTKPC-UHFFFAOYSA-N	0	0	199.319	3.405	10	0		AGAERN
CCCCCSCc1nocc1C	871664763	583352995	/nfs/dbraw/zinc/35/29/95/583352995.db2.gz	DGFLUJACKSXFEQ-UHFFFAOYSA-N	0	0	199.319	3.406	10	0		AGAERN
CC[C@H](C)CSCc1nocc1C	871657433	583353155	/nfs/dbraw/zinc/35/31/55/583353155.db2.gz	ARKHNSZBQXJYFL-QMMMGPOBSA-N	0	0	199.319	3.262	10	0		AGAERN
Cc1conc1CS[C@@H](C)C(C)C	871655108	583353249	/nfs/dbraw/zinc/35/32/49/583353249.db2.gz	LDZRCJHMEMVJSB-VIFPVBQESA-N	0	0	199.319	3.261	10	0		AGAERN
CSCc1cc(C(F)(F)F)co1	871649203	583353321	/nfs/dbraw/zinc/35/33/21/583353321.db2.gz	FFLCBNXVZUCLSD-UHFFFAOYSA-N	0	0	196.193	3.161	10	0		AGAERN
CC(C)=CCSCc1nocc1C	871668582	583353297	/nfs/dbraw/zinc/35/32/97/583353297.db2.gz	QGWPLEPBAZKNCU-UHFFFAOYSA-N	0	0	197.303	3.182	10	0		AGAERN
CC[C@@H](C)CSCc1nocc1C	871657432	583353355	/nfs/dbraw/zinc/35/33/55/583353355.db2.gz	ARKHNSZBQXJYFL-MRVPVSSYSA-N	0	0	199.319	3.262	10	0		AGAERN
Cc1conc1CSCC(C)(C)C	871670349	583353366	/nfs/dbraw/zinc/35/33/66/583353366.db2.gz	SYNFTXAODBXDLQ-UHFFFAOYSA-N	0	0	199.319	3.262	10	0		AGAERN
Cc1conc1CSC1CCCC1	871631301	583353445	/nfs/dbraw/zinc/35/34/45/583353445.db2.gz	CGKPQIQNYYGDOY-UHFFFAOYSA-N	0	0	197.303	3.159	10	0		AGAERN
CC(C)SC1CC(CF)(CF)C1	871697079	583353774	/nfs/dbraw/zinc/35/37/74/583353774.db2.gz	UKLIEMHMBPDXNB-UHFFFAOYSA-N	0	0	194.290	3.216	10	0		AGAERN
CCCSC1CC(CF)(CF)C1	871696315	583353984	/nfs/dbraw/zinc/35/39/84/583353984.db2.gz	JUQKUPDEFPTSIK-UHFFFAOYSA-N	0	0	194.290	3.217	10	0		AGAERN
CCSCc1scnc1Cl	871696468	583354080	/nfs/dbraw/zinc/35/40/80/583354080.db2.gz	MZKIUYXIPFIGPB-UHFFFAOYSA-N	0	0	193.724	3.050	10	0		AGAERN
CCC[C@H](C)SCc1nocc1C	871713984	583354143	/nfs/dbraw/zinc/35/41/43/583354143.db2.gz	IKGLBZJUAYOVBB-VIFPVBQESA-N	0	0	199.319	3.405	10	0		AGAERN
Cc1conc1CSCCC(C)C	871695754	583354254	/nfs/dbraw/zinc/35/42/54/583354254.db2.gz	CGOMOAVPLVNBQO-UHFFFAOYSA-N	0	0	199.319	3.262	10	0		AGAERN
Cc1conc1CSCC1CCC1	871698646	583354266	/nfs/dbraw/zinc/35/42/66/583354266.db2.gz	FMAGZDMJBTZDML-UHFFFAOYSA-N	0	0	197.303	3.016	10	0		AGAERN
Cc1conc1CSCCC1CC1	871702526	583354305	/nfs/dbraw/zinc/35/43/05/583354305.db2.gz	QMIOLJQCOXCLAI-UHFFFAOYSA-N	0	0	197.303	3.016	10	0		AGAERN
CCC[C@@H](C)SCc1nocc1C	871713983	583354363	/nfs/dbraw/zinc/35/43/63/583354363.db2.gz	IKGLBZJUAYOVBB-SECBINFHSA-N	0	0	199.319	3.405	10	0		AGAERN
CCCCSCc1nocc1C	871695741	583354397	/nfs/dbraw/zinc/35/43/97/583354397.db2.gz	BUCNBUURKRJIAF-UHFFFAOYSA-N	0	0	185.292	3.016	10	0		AGAERN
CCNc1ccc(F)c(C(F)F)c1	871857567	583355857	/nfs/dbraw/zinc/35/58/57/583355857.db2.gz	SUPIEXFSTSJNCW-UHFFFAOYSA-N	0	0	189.180	3.195	10	0		AGAERN
CCC(F)(F)c1ccccc1NC	871861213	583356028	/nfs/dbraw/zinc/35/60/28/583356028.db2.gz	DZBBICPOKSWSCK-UHFFFAOYSA-N	0	0	185.217	3.230	10	0		AGAERN
CCNc1cc(OC)ccc1C1CC1	871865703	583356051	/nfs/dbraw/zinc/35/60/51/583356051.db2.gz	NTSWIOFSPHFDPH-UHFFFAOYSA-N	0	0	191.274	3.004	10	0		AGAERN
CCCCOC(=O)C1(CC)CCCC1	124007287	583361694	/nfs/dbraw/zinc/36/16/94/583361694.db2.gz	CSMAJNHAMWHOAY-UHFFFAOYSA-N	0	0	198.306	3.300	10	0		AGAERN
Cc1cscc1NCc1ccoc1	125446933	583383870	/nfs/dbraw/zinc/38/38/70/583383870.db2.gz	AGIGCARLUSGHHI-UHFFFAOYSA-N	0	0	193.271	3.262	10	0		AGAERN
CCCCCCn1cnc(C)c1C	125685529	583386060	/nfs/dbraw/zinc/38/60/60/583386060.db2.gz	CJFFZVOOASEHPL-UHFFFAOYSA-N	0	0	180.295	3.080	10	0		AGAERN
CCCN(C)c1cccc2cc[nH]c12	879342558	583418300	/nfs/dbraw/zinc/41/83/00/583418300.db2.gz	CREFPNPZJFBPQP-UHFFFAOYSA-N	0	0	188.274	3.014	10	0		AGAERN
CC(C)=CC(=O)OC1CCCCCC1	879308526	583418459	/nfs/dbraw/zinc/41/84/59/583418459.db2.gz	PXRWMVRQPYTYLX-UHFFFAOYSA-N	0	0	196.290	3.219	10	0		AGAERN
CC[C@H]1CCC/C(=C/C(=O)OC)CC1	211507014	583441894	/nfs/dbraw/zinc/44/18/94/583441894.db2.gz	OFGHXUCAKMGSLD-RGAIUGGKSA-N	0	0	196.290	3.076	10	0		AGAERN
CC[C@@H]1CCC/C(=C/C(=O)OC)CC1	211506926	583442238	/nfs/dbraw/zinc/44/22/38/583442238.db2.gz	OFGHXUCAKMGSLD-QLWWJYNRSA-N	0	0	196.290	3.076	10	0		AGAERN
C=C/C=C/CCSC[C@@H]1CCCO1	882155576	583449473	/nfs/dbraw/zinc/44/94/73/583449473.db2.gz	ICGNVCFKMWOECG-UFFNRZRYSA-N	0	0	198.331	3.031	10	0		AGAERN
C=C/C=C\CCSC[C@H]1CCCO1	882155574	583449557	/nfs/dbraw/zinc/44/95/57/583449557.db2.gz	ICGNVCFKMWOECG-DLRQAJBASA-N	0	0	198.331	3.031	10	0		AGAERN
C=C/C=C\CCSC[C@@H]1CCCO1	882155573	583449648	/nfs/dbraw/zinc/44/96/48/583449648.db2.gz	ICGNVCFKMWOECG-BYCRGOAPSA-N	0	0	198.331	3.031	10	0		AGAERN
C=C/C=C/CCSC[C@H]1CCCO1	882155575	583449667	/nfs/dbraw/zinc/44/96/67/583449667.db2.gz	ICGNVCFKMWOECG-PGLGOXFNSA-N	0	0	198.331	3.031	10	0		AGAERN
C=C/C=C/CCSC1CCOCC1	882149117	583449680	/nfs/dbraw/zinc/44/96/80/583449680.db2.gz	RHDXUXCMVLMKCM-ONEGZZNKSA-N	0	0	198.331	3.031	10	0		AGAERN
C=C/C=C\CCSC1CCOCC1	882149113	583449938	/nfs/dbraw/zinc/44/99/38/583449938.db2.gz	RHDXUXCMVLMKCM-ARJAWSKDSA-N	0	0	198.331	3.031	10	0		AGAERN
C=C/C=C/CCSC1CCC1	882174160	583450655	/nfs/dbraw/zinc/45/06/55/583450655.db2.gz	GCHBWNJFRRALPG-ONEGZZNKSA-N	0	0	168.305	3.404	10	0		AGAERN
C=C/C=C\CCSC1CCC1	882174158	583450809	/nfs/dbraw/zinc/45/08/09/583450809.db2.gz	GCHBWNJFRRALPG-ARJAWSKDSA-N	0	0	168.305	3.404	10	0		AGAERN
COC(=O)/C=C1/CCCC(C)(C)CC1	133837079	583473373	/nfs/dbraw/zinc/47/33/73/583473373.db2.gz	LCYRKMFYAQBWHX-KTKRTIGZSA-N	0	0	196.290	3.076	10	0		AGAERN
CCCCCC/C(C)=C/C(=O)OC	133847534	583473625	/nfs/dbraw/zinc/47/36/25/583473625.db2.gz	KMHNSCBQBODEPQ-MDZDMXLPSA-N	0	0	184.279	3.076	10	0		AGAERN
CCC[C@@H](C)CNc1ccc(F)nc1	134537348	583476559	/nfs/dbraw/zinc/47/65/59/583476559.db2.gz	SMZZPXBMHAIWEL-SECBINFHSA-N	0	0	196.269	3.069	10	0		AGAERN
CCC[C@H](C)CNc1ccc(F)nc1	134537373	583476995	/nfs/dbraw/zinc/47/69/95/583476995.db2.gz	SMZZPXBMHAIWEL-VIFPVBQESA-N	0	0	196.269	3.069	10	0		AGAERN
CC(C)C[C@@H](C)Nc1ccc(F)nc1	134831998	583478005	/nfs/dbraw/zinc/47/80/05/583478005.db2.gz	OWXMGSNDSLBGRQ-SECBINFHSA-N	0	0	196.269	3.067	10	0		AGAERN
CC(C)C[C@H](C)Nc1ccc(F)nc1	134832016	583478198	/nfs/dbraw/zinc/47/81/98/583478198.db2.gz	OWXMGSNDSLBGRQ-VIFPVBQESA-N	0	0	196.269	3.067	10	0		AGAERN
CCC/C=C\C(=O)O[C@@H](C)CCC	216731812	583486331	/nfs/dbraw/zinc/48/63/31/583486331.db2.gz	AIPLTMKUKMPUKN-RNKPRXRFSA-N	0	0	184.279	3.075	10	0		AGAERN
CCC/C=C\C(=O)O[C@H](C)CCC	216731904	583486410	/nfs/dbraw/zinc/48/64/10/583486410.db2.gz	AIPLTMKUKMPUKN-UJICNMFASA-N	0	0	184.279	3.075	10	0		AGAERN
CCC/C=C/C(=O)O[C@@H](C)CCC	216731855	583486497	/nfs/dbraw/zinc/48/64/97/583486497.db2.gz	AIPLTMKUKMPUKN-PCYYEKQGSA-N	0	0	184.279	3.075	10	0		AGAERN
CCOC(=O)C=C1CCC(C)(C)CC1	217596308	583489414	/nfs/dbraw/zinc/48/94/14/583489414.db2.gz	IHNOLRNBILIRIZ-UHFFFAOYSA-N	0	0	196.290	3.076	10	0		AGAERN
CC[C@@H](C)[C@H]1CC(=O)CCC1(C)C	137293255	583492440	/nfs/dbraw/zinc/49/24/40/583492440.db2.gz	AGEGNTJSMHWDOW-MWLCHTKSSA-N	0	0	182.307	3.428	10	0		AGAERN
CS[C@@H](C)c1cccs1	137387562	583492643	/nfs/dbraw/zinc/49/26/43/583492643.db2.gz	GRPPFFROOKWMQX-LURJTMIESA-N	0	0	158.291	3.172	10	0		AGAERN
CC[C@H](C)[C@H]1CC(=O)CCC1(C)C	137293308	583492795	/nfs/dbraw/zinc/49/27/95/583492795.db2.gz	AGEGNTJSMHWDOW-GXSJLCMTSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H](C)[C@@H]1CC(=O)CCC1(C)C	137293205	583492887	/nfs/dbraw/zinc/49/28/87/583492887.db2.gz	AGEGNTJSMHWDOW-ONGXEEELSA-N	0	0	182.307	3.428	10	0		AGAERN
CS[C@H](C)c1cccs1	137387636	583493196	/nfs/dbraw/zinc/49/31/96/583493196.db2.gz	GRPPFFROOKWMQX-ZCFIWIBFSA-N	0	0	158.291	3.172	10	0		AGAERN
CC[C@@H](C)[C@@H]1CC(=O)CCC1(C)C	137293160	583493221	/nfs/dbraw/zinc/49/32/21/583493221.db2.gz	AGEGNTJSMHWDOW-KOLCDFICSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC[C@H](C)OC(=O)C[C@@H]1C=CCC1	138935405	583501184	/nfs/dbraw/zinc/50/11/84/583501184.db2.gz	WDMXSJJBSUCDLO-WDEREUQCSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC[C@@H](C)OC(=O)C[C@@H]1C=CCC1	138935278	583501647	/nfs/dbraw/zinc/50/16/47/583501647.db2.gz	WDMXSJJBSUCDLO-GHMZBOCLSA-N	0	0	196.290	3.075	10	0		AGAERN
CCCSCCSC(C)C	221823530	583504849	/nfs/dbraw/zinc/50/48/49/583504849.db2.gz	GZUBVXTVONIQFV-UHFFFAOYSA-N	0	0	178.366	3.271	10	0		AGAERN
CCCC[C@@H](CCC)OC(=O)CC	140144145	583507718	/nfs/dbraw/zinc/50/77/18/583507718.db2.gz	DBOGDZMPZBITKJ-SNVBAGLBSA-N	0	0	186.295	3.299	10	0		AGAERN
c1ccc(-c2cccc3[nH]ccc23)nc1	104684930	583511699	/nfs/dbraw/zinc/51/16/99/583511699.db2.gz	AGQNUQOLXFDQMD-UHFFFAOYSA-N	0	0	194.237	3.230	10	0		AGAERN
c1cc(-c2cnc(C3CC3)o2)cs1	829079755	583513767	/nfs/dbraw/zinc/51/37/67/583513767.db2.gz	HSOJAXAGPQHPIX-UHFFFAOYSA-N	0	0	191.255	3.281	10	0		AGAERN
CCc1csc(N[C@@H](C)C(C)C)n1	61894374	490016503	/nfs/dbraw/zinc/01/65/03/490016503.db2.gz	RZXHVFQZWDUWOQ-QMMMGPOBSA-N	0	0	198.335	3.162	10	0		AGAERN
CCCC[C@H](C)Nc1cnccc1C	70958385	490018688	/nfs/dbraw/zinc/01/86/88/490018688.db2.gz	MVTGXLSXHPHHKU-NSHDSACASA-N	0	0	192.306	3.381	10	0		AGAERN
CCCC[C@@H](C)Nc1cnccc1C	70958381	490018700	/nfs/dbraw/zinc/01/87/00/490018700.db2.gz	MVTGXLSXHPHHKU-LLVKDONJSA-N	0	0	192.306	3.381	10	0		AGAERN
CC(C)Nc1ccc2ncsc2c1	75120511	490022624	/nfs/dbraw/zinc/02/26/24/490022624.db2.gz	ATBWMNQZZCDABL-UHFFFAOYSA-N	0	0	192.287	3.117	10	0		AGAERN
Cc1cncc(NCc2ccccc2)c1	125081709	490033168	/nfs/dbraw/zinc/03/31/68/490033168.db2.gz	GPVKOBQNKIIQFE-UHFFFAOYSA-N	0	0	198.269	3.002	10	0		AGAERN
CCOc1cc(NC(C)C)ccc1C	128643371	490046156	/nfs/dbraw/zinc/04/61/56/490046156.db2.gz	BLFODSPSFDPUMN-UHFFFAOYSA-N	0	0	193.290	3.214	10	0		AGAERN
CCCCOc1ccc(F)cc1C	129320564	490050415	/nfs/dbraw/zinc/05/04/15/490050415.db2.gz	HKSFYTDPZPBNQH-UHFFFAOYSA-N	0	0	182.238	3.313	10	0		AGAERN
CSCc1c(C)cc(C)cc1C	196530777	490061712	/nfs/dbraw/zinc/06/17/12/490061712.db2.gz	BYRGMHNSTILFCK-UHFFFAOYSA-N	0	0	180.316	3.475	10	0		AGAERN
C=C1C=CC(C)(C)C=C1C	196522233	490061730	/nfs/dbraw/zinc/06/17/30/490061730.db2.gz	SVWWSQKNHPPPHM-UHFFFAOYSA-N	0	0	134.222	3.085	10	0		AGAERN
C/C=C(/Cl)c1ccc(OC)cc1	217678888	490068517	/nfs/dbraw/zinc/06/85/17/490068517.db2.gz	VAUYEEQRDHQLMB-XCVCLJGOSA-N	0	0	182.650	3.295	10	0		AGAERN
CCN(c1ccc(F)cc1)C(C)C	218858333	490070799	/nfs/dbraw/zinc/07/07/99/490070799.db2.gz	WDZPBYGNVRIWFZ-UHFFFAOYSA-N	0	0	181.254	3.060	10	0		AGAERN
CCCCCC(=O)NC(C)(CC)CC	223473750	490082738	/nfs/dbraw/zinc/08/27/38/490082738.db2.gz	VYQBXQNCUJNOHH-UHFFFAOYSA-N	0	0	199.338	3.262	10	0		AGAERN
Cc1cc(-c2cccs2)cnc1C	584623776	490154100	/nfs/dbraw/zinc/15/41/00/490154100.db2.gz	KMCJBCUWGRVPNG-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
Cc1sc(NC(C)C)nc1C1CC1	83053833	491023237	/nfs/dbraw/zinc/02/32/37/491023237.db2.gz	BBSOBXJVGLUFJT-UHFFFAOYSA-N	0	0	196.319	3.149	10	0		AGAERN
CCC[C@@H](C)CNc1ncccc1C	83341861	491023987	/nfs/dbraw/zinc/02/39/87/491023987.db2.gz	YWXBILOQVVXQTB-SNVBAGLBSA-N	0	0	192.306	3.238	10	0		AGAERN
CCC[C@H](C)CNc1ncccc1C	83341862	491024085	/nfs/dbraw/zinc/02/40/85/491024085.db2.gz	YWXBILOQVVXQTB-JTQLQIEISA-N	0	0	192.306	3.238	10	0		AGAERN
Cc1nc(N[C@@H](C)C(C)C)sc1C	83532661	491024671	/nfs/dbraw/zinc/02/46/71/491024671.db2.gz	CQGPSPIJSDTRHT-ZETCQYMHSA-N	0	0	198.335	3.216	10	0		AGAERN
Cc1nc(N[C@H](C)C(C)C)sc1C	83532662	491024713	/nfs/dbraw/zinc/02/47/13/491024713.db2.gz	CQGPSPIJSDTRHT-SSDOTTSWSA-N	0	0	198.335	3.216	10	0		AGAERN
CCNc1csc2ccccc12	84444820	491026667	/nfs/dbraw/zinc/02/66/67/491026667.db2.gz	UAUCDLPRGFLTHM-UHFFFAOYSA-N	0	0	177.272	3.333	10	0		AGAERN
CC(C)[C@H](C)Nc1ccncc1Cl	86778369	491029254	/nfs/dbraw/zinc/02/92/54/491029254.db2.gz	RDOHNBOAPGMCBK-QMMMGPOBSA-N	0	0	198.697	3.191	10	0		AGAERN
CC(C)[C@@H](C)Nc1ccncc1Cl	86778367	491029279	/nfs/dbraw/zinc/02/92/79/491029279.db2.gz	RDOHNBOAPGMCBK-MRVPVSSYSA-N	0	0	198.697	3.191	10	0		AGAERN
FCCCOc1ccccc1Cl	88027206	491032810	/nfs/dbraw/zinc/03/28/10/491032810.db2.gz	HJWNDTJUZBSRTF-UHFFFAOYSA-N	0	0	188.629	3.078	10	0		AGAERN
FCCCOc1cccc(Cl)c1	88027212	491032921	/nfs/dbraw/zinc/03/29/21/491032921.db2.gz	DCHFNJNMYRQMLA-UHFFFAOYSA-N	0	0	188.629	3.078	10	0		AGAERN
CCC[C@@H](C)CNc1cncc(C)c1	133508060	491037690	/nfs/dbraw/zinc/03/76/90/491037690.db2.gz	XMUXYKAWDANDGP-SNVBAGLBSA-N	0	0	192.306	3.238	10	0		AGAERN
CCC[C@H](C)CNc1cncc(C)c1	133508272	491037751	/nfs/dbraw/zinc/03/77/51/491037751.db2.gz	XMUXYKAWDANDGP-JTQLQIEISA-N	0	0	192.306	3.238	10	0		AGAERN
C[C@@H]1CC[C@@H](c2ccc(F)cc2)O1	200533410	491040284	/nfs/dbraw/zinc/04/02/84/491040284.db2.gz	ADAVQTSUAADLSX-KCJUWKMLSA-N	0	0	180.222	3.066	10	0		AGAERN
C[C@@H](CC1CCC1)Nc1ccccn1	134133063	491038625	/nfs/dbraw/zinc/03/86/25/491038625.db2.gz	ASVFBXIXXLQMEM-JTQLQIEISA-N	0	0	190.290	3.072	10	0		AGAERN
C[C@H](CC1CCC1)Nc1ccccn1	134133259	491038631	/nfs/dbraw/zinc/03/86/31/491038631.db2.gz	ASVFBXIXXLQMEM-SNVBAGLBSA-N	0	0	190.290	3.072	10	0		AGAERN
Cc1cncc(N[C@@H](C)CC(C)C)c1	134342147	491038664	/nfs/dbraw/zinc/03/86/64/491038664.db2.gz	SVACQGJUJRINHY-NSHDSACASA-N	0	0	192.306	3.237	10	0		AGAERN
Cc1cncc(N[C@H](C)CC(C)C)c1	134342172	491038784	/nfs/dbraw/zinc/03/87/84/491038784.db2.gz	SVACQGJUJRINHY-LLVKDONJSA-N	0	0	192.306	3.237	10	0		AGAERN
CC(C)Nc1cncc2ccccc12	134376000	491038865	/nfs/dbraw/zinc/03/88/65/491038865.db2.gz	GMFRGJUMGFZJTE-UHFFFAOYSA-N	0	0	186.258	3.055	10	0		AGAERN
CCc1nc([C@H](C)CC)cs1	134962583	491039567	/nfs/dbraw/zinc/03/95/67/491039567.db2.gz	ARPZNUGTSDOXGX-SSDOTTSWSA-N	0	0	169.293	3.219	10	0		AGAERN
CCc1nc([C@@H](C)CC)cs1	134962563	491039619	/nfs/dbraw/zinc/03/96/19/491039619.db2.gz	ARPZNUGTSDOXGX-ZETCQYMHSA-N	0	0	169.293	3.219	10	0		AGAERN
CCCCCCC(=S)OCC	199852296	491040211	/nfs/dbraw/zinc/04/02/11/491040211.db2.gz	IZNTUZIMXYNQIV-UHFFFAOYSA-N	0	0	174.309	3.321	10	0		AGAERN
C[C@H]1CC[C@H](c2ccc(F)cc2)O1	200533375	491040234	/nfs/dbraw/zinc/04/02/34/491040234.db2.gz	ADAVQTSUAADLSX-GZMMTYOYSA-N	0	0	180.222	3.066	10	0		AGAERN
C[C@H]1CC[C@@H](c2ccc(F)cc2)O1	200533439	491040235	/nfs/dbraw/zinc/04/02/35/491040235.db2.gz	ADAVQTSUAADLSX-KWQFWETISA-N	0	0	180.222	3.066	10	0		AGAERN
C[C@@H]1CC[C@H](c2ccc(F)cc2)O1	200533344	491040250	/nfs/dbraw/zinc/04/02/50/491040250.db2.gz	ADAVQTSUAADLSX-LDYMZIIASA-N	0	0	180.222	3.066	10	0		AGAERN
CCc1nc(C)c(C(C)C)s1	200546683	491040267	/nfs/dbraw/zinc/04/02/67/491040267.db2.gz	GGHNQMBUYFGHRG-UHFFFAOYSA-N	0	0	169.293	3.137	10	0		AGAERN
CC[C@H](C)Nc1nccc2occc12	226568260	491042885	/nfs/dbraw/zinc/04/28/85/491042885.db2.gz	BSXILFGCMXFUNL-QMMMGPOBSA-N	0	0	190.246	3.038	10	0		AGAERN
CC[C@@H](C)Nc1nccc2occc12	226568253	491042948	/nfs/dbraw/zinc/04/29/48/491042948.db2.gz	BSXILFGCMXFUNL-MRVPVSSYSA-N	0	0	190.246	3.038	10	0		AGAERN
Cc1ccc(NCC2(F)CC2)c(C)c1	306189963	491046444	/nfs/dbraw/zinc/04/64/44/491046444.db2.gz	VWXXVVSOTKKSIK-UHFFFAOYSA-N	0	0	193.265	3.217	10	0		AGAERN
Cc1ccc(NCC2(F)CC2)cc1C	306374554	491049660	/nfs/dbraw/zinc/04/96/60/491049660.db2.gz	KLBNKZYOZFEJEQ-UHFFFAOYSA-N	0	0	193.265	3.217	10	0		AGAERN
CCC[C@@H]1C[C@H]1Nc1ncc(C)s1	306382641	491049783	/nfs/dbraw/zinc/04/97/83/491049783.db2.gz	PLMNBPRNTSXILS-RKDXNWHRSA-N	0	0	196.319	3.052	10	0		AGAERN
CCC[C@H]1C[C@H]1Nc1ncc(C)s1	306382639	491049787	/nfs/dbraw/zinc/04/97/87/491049787.db2.gz	PLMNBPRNTSXILS-DTWKUNHWSA-N	0	0	196.319	3.052	10	0		AGAERN
Cc1ccc(C)c(NCC2(F)CC2)c1	306272986	491047813	/nfs/dbraw/zinc/04/78/13/491047813.db2.gz	YVXAWANSFLKASH-UHFFFAOYSA-N	0	0	193.265	3.217	10	0		AGAERN
CCSc1ccc2c(c1)CCC2	306280213	491047898	/nfs/dbraw/zinc/04/78/98/491047898.db2.gz	HZMGXJLABCNQKL-UHFFFAOYSA-N	0	0	178.300	3.287	10	0		AGAERN
Cc1nc2c(s1)CCCC2(C)C	306307550	491048334	/nfs/dbraw/zinc/04/83/34/491048334.db2.gz	VTXQGVHEZSSSFK-UHFFFAOYSA-N	0	0	181.304	3.065	10	0		AGAERN
Cc1cccc(N[C@H](C)[C@@H]2C[C@@H]2C)c1	306312059	491048339	/nfs/dbraw/zinc/04/83/39/491048339.db2.gz	DHEWPEDYDLJVBY-DMDPSCGWSA-N	0	0	189.302	3.451	10	0		AGAERN
Cc1cccc(N[C@H](C)[C@H]2C[C@@H]2C)c1	306312060	491048347	/nfs/dbraw/zinc/04/83/47/491048347.db2.gz	DHEWPEDYDLJVBY-LOWVWBTDSA-N	0	0	189.302	3.451	10	0		AGAERN
Cc1cc(C)cc(NCC2(F)CC2)c1	306314994	491048356	/nfs/dbraw/zinc/04/83/56/491048356.db2.gz	ZLQKDODNNSDSNT-UHFFFAOYSA-N	0	0	193.265	3.217	10	0		AGAERN
Cc1cccc(N[C@H](C)[C@@H]2C[C@H]2C)c1	306312061	491048362	/nfs/dbraw/zinc/04/83/62/491048362.db2.gz	DHEWPEDYDLJVBY-NQBHXWOUSA-N	0	0	189.302	3.451	10	0		AGAERN
Cc1cccc(N[C@H](C)[C@H]2C[C@H]2C)c1	306312062	491048425	/nfs/dbraw/zinc/04/84/25/491048425.db2.gz	DHEWPEDYDLJVBY-WZRBSPASSA-N	0	0	189.302	3.451	10	0		AGAERN
CC1(C)CC[C@H]1Nc1cccc(F)c1	306337331	491048803	/nfs/dbraw/zinc/04/88/03/491048803.db2.gz	WIEOVGALTGBWJG-LLVKDONJSA-N	0	0	193.265	3.426	10	0		AGAERN
CC1(C)CC[C@@H]1Nc1cccc(F)c1	306337332	491048851	/nfs/dbraw/zinc/04/88/51/491048851.db2.gz	WIEOVGALTGBWJG-NSHDSACASA-N	0	0	193.265	3.426	10	0		AGAERN
CCC[C@H]1C[C@@H]1Nc1ncc(C)s1	306382640	491049744	/nfs/dbraw/zinc/04/97/44/491049744.db2.gz	PLMNBPRNTSXILS-IUCAKERBSA-N	0	0	196.319	3.052	10	0		AGAERN
CCC[C@@H]1C[C@@H]1Nc1ncc(C)s1	306382638	491049835	/nfs/dbraw/zinc/04/98/35/491049835.db2.gz	PLMNBPRNTSXILS-BDAKNGLRSA-N	0	0	196.319	3.052	10	0		AGAERN
CC(C)c1cc(NCC2(C)CC2)no1	306358529	491049353	/nfs/dbraw/zinc/04/93/53/491049353.db2.gz	ZMRKUAWNBLGIST-UHFFFAOYSA-N	0	0	194.278	3.010	10	0		AGAERN
CC[C@@H](Nc1ncc(C)s1)C(C)C	306369904	491049379	/nfs/dbraw/zinc/04/93/79/491049379.db2.gz	INFUDSNKTRWEDM-SECBINFHSA-N	0	0	198.335	3.298	10	0		AGAERN
CC[C@H](Nc1ncc(C)s1)C(C)C	306369910	491049454	/nfs/dbraw/zinc/04/94/54/491049454.db2.gz	INFUDSNKTRWEDM-VIFPVBQESA-N	0	0	198.335	3.298	10	0		AGAERN
Cc1sc(C(C)C)nc1C1CC1	306446596	491051193	/nfs/dbraw/zinc/05/11/93/491051193.db2.gz	BGSHQPOTVIRMOI-UHFFFAOYSA-N	0	0	181.304	3.452	10	0		AGAERN
CCc1ccc(NCC2(F)CC2)cc1	306703969	491054897	/nfs/dbraw/zinc/05/48/97/491054897.db2.gz	AZKKOURDGFUBGB-UHFFFAOYSA-N	0	0	193.265	3.163	10	0		AGAERN
Cc1c(F)cccc1NCC1(F)CC1	306756718	491055474	/nfs/dbraw/zinc/05/54/74/491055474.db2.gz	QQRAWKHYLTUDHY-UHFFFAOYSA-N	0	0	197.228	3.048	10	0		AGAERN
C[C@@H]1C[C@@H]1CNc1cc(F)ccc1F	306927636	491056626	/nfs/dbraw/zinc/05/66/26/491056626.db2.gz	UYCGHDSUBNMQRC-HTQZYQBOSA-N	0	0	197.228	3.033	10	0		AGAERN
C[C@H]1C[C@H]1CNc1cc(F)ccc1F	306927639	491056633	/nfs/dbraw/zinc/05/66/33/491056633.db2.gz	UYCGHDSUBNMQRC-YUMQZZPRSA-N	0	0	197.228	3.033	10	0		AGAERN
C[C@@H]1C[C@H]1CNc1cc(F)ccc1F	306927638	491056694	/nfs/dbraw/zinc/05/66/94/491056694.db2.gz	UYCGHDSUBNMQRC-SFYZADRCSA-N	0	0	197.228	3.033	10	0		AGAERN
C[C@H]1C[C@@H]1CNc1cc(F)ccc1F	306927637	491056699	/nfs/dbraw/zinc/05/66/99/491056699.db2.gz	UYCGHDSUBNMQRC-JGVFFNPUSA-N	0	0	197.228	3.033	10	0		AGAERN
COc1cc(C)cc(NC(C)C)c1C	307204137	491059525	/nfs/dbraw/zinc/05/95/25/491059525.db2.gz	HVEAJBJXJFBFAL-UHFFFAOYSA-N	0	0	193.290	3.132	10	0		AGAERN
Cc1cccc(NCC2(F)CC2)c1C	307056118	491058174	/nfs/dbraw/zinc/05/81/74/491058174.db2.gz	AGMUPGUXBYFWCN-UHFFFAOYSA-N	0	0	193.265	3.217	10	0		AGAERN
CCN(c1ccccc1)C1CCC1	307115356	491058696	/nfs/dbraw/zinc/05/86/96/491058696.db2.gz	NYLLOBAZZPVDPA-UHFFFAOYSA-N	0	0	175.275	3.065	10	0		AGAERN
C[C@@H]1C[C@@H]1[C@@H](C)Nc1cccc(F)c1	307143863	491058862	/nfs/dbraw/zinc/05/88/62/491058862.db2.gz	HFTLCJAMFAUIQK-LNLATYFQSA-N	0	0	193.265	3.282	10	0		AGAERN
C[C@H](Nc1cccc(F)c1)[C@H]1C[C@H]1C	307143864	491058883	/nfs/dbraw/zinc/05/88/83/491058883.db2.gz	HFTLCJAMFAUIQK-PTRXPTGYSA-N	0	0	193.265	3.282	10	0		AGAERN
C[C@@H]1C[C@H]1[C@@H](C)Nc1cccc(F)c1	307143862	491058895	/nfs/dbraw/zinc/05/88/95/491058895.db2.gz	HFTLCJAMFAUIQK-KBVBSXBZSA-N	0	0	193.265	3.282	10	0		AGAERN
C[C@H](Nc1cccc(F)c1)[C@@H]1C[C@H]1C	307143865	491058909	/nfs/dbraw/zinc/05/89/09/491058909.db2.gz	HFTLCJAMFAUIQK-VDDIYKPWSA-N	0	0	193.265	3.282	10	0		AGAERN
Cc1cc(F)cc(NCC2(F)CC2)c1	307144099	491058927	/nfs/dbraw/zinc/05/89/27/491058927.db2.gz	LQGYFUSYFGYJDH-UHFFFAOYSA-N	0	0	197.228	3.048	10	0		AGAERN
Cc1ccc(NCC2(F)CC2)c(F)c1	307143228	491058959	/nfs/dbraw/zinc/05/89/59/491058959.db2.gz	GLVVUAUSNZLOIS-UHFFFAOYSA-N	0	0	197.228	3.048	10	0		AGAERN
CC(C)=CCSc1ccc(C)cn1	307156077	491058995	/nfs/dbraw/zinc/05/89/95/491058995.db2.gz	FMUDQYAPILOGRR-UHFFFAOYSA-N	0	0	193.315	3.448	10	0		AGAERN
C1=C[C@H](Sc2ccncc2)CCC1	307189133	491059104	/nfs/dbraw/zinc/05/91/04/491059104.db2.gz	CKWWDAUWHVONKF-JTQLQIEISA-N	0	0	191.299	3.282	10	0		AGAERN
c1sc(C2CCC2)nc1CC1CC1	307192626	491059146	/nfs/dbraw/zinc/05/91/46/491059146.db2.gz	LYXKIKIPPRXDNW-UHFFFAOYSA-N	0	0	193.315	3.363	10	0		AGAERN
C1=C[C@@H](Sc2ccncc2)CCC1	307189134	491059149	/nfs/dbraw/zinc/05/91/49/491059149.db2.gz	CKWWDAUWHVONKF-SNVBAGLBSA-N	0	0	191.299	3.282	10	0		AGAERN
Cc1cccc(NCC2(F)CC2)c1F	307195848	491059252	/nfs/dbraw/zinc/05/92/52/491059252.db2.gz	SGJRVVKCDCUNOV-UHFFFAOYSA-N	0	0	197.228	3.048	10	0		AGAERN
CCc1cccc(NCC2(F)CC2)c1	307343007	491060882	/nfs/dbraw/zinc/06/08/82/491060882.db2.gz	WOWUIDAOAWDZMW-UHFFFAOYSA-N	0	0	193.265	3.163	10	0		AGAERN
CC1(CNc2cccc(F)c2)CCC1	307368069	491061077	/nfs/dbraw/zinc/06/10/77/491061077.db2.gz	PKPNRRTXXBAEJC-UHFFFAOYSA-N	0	0	193.265	3.428	10	0		AGAERN
Clc1ccc(SCC2CC2)nc1	307361949	491061123	/nfs/dbraw/zinc/06/11/23/491061123.db2.gz	FTPCNANVHNQFFP-UHFFFAOYSA-N	0	0	199.706	3.237	10	0		AGAERN
Cc1cc(F)ccc1NCC1(F)CC1	307462785	491062307	/nfs/dbraw/zinc/06/23/07/491062307.db2.gz	BQLQWFAHTARMSR-UHFFFAOYSA-N	0	0	197.228	3.048	10	0		AGAERN
CCNc1ccc(CC)c(CC)c1	307510894	491063003	/nfs/dbraw/zinc/06/30/03/491063003.db2.gz	LBJLZSKRFUXSNG-UHFFFAOYSA-N	0	0	177.291	3.243	10	0		AGAERN
CC1(CNc2ccccc2F)CCC1	307587652	491064585	/nfs/dbraw/zinc/06/45/85/491064585.db2.gz	UUYWUCZEKMWYNF-UHFFFAOYSA-N	0	0	193.265	3.428	10	0		AGAERN
CCCc1nc(C2CCC2)cs1	307657721	491066512	/nfs/dbraw/zinc/06/65/12/491066512.db2.gz	BOAVHVMTHUZHBM-UHFFFAOYSA-N	0	0	181.304	3.363	10	0		AGAERN
CCc1cnccc1[C@@H](C)C(C)C	307683199	491067410	/nfs/dbraw/zinc/06/74/10/491067410.db2.gz	TYCYGPWHYJMPSV-JTQLQIEISA-N	0	0	177.291	3.404	10	0		AGAERN
CCN(c1ccccc1C)C(C)C	307755052	491070404	/nfs/dbraw/zinc/07/04/04/491070404.db2.gz	CETOUYSWIFSFGX-UHFFFAOYSA-N	0	0	177.291	3.230	10	0		AGAERN
CCc1cnccc1[C@H](C)C(C)C	307683200	491067526	/nfs/dbraw/zinc/06/75/26/491067526.db2.gz	TYCYGPWHYJMPSV-SNVBAGLBSA-N	0	0	177.291	3.404	10	0		AGAERN
CCc1nc(C2CCC2)sc1C	307705865	491068589	/nfs/dbraw/zinc/06/85/89/491068589.db2.gz	ZDZRQDFQFOPMFL-UHFFFAOYSA-N	0	0	181.304	3.281	10	0		AGAERN
CC(C)=CCSc1ccncc1	307715041	491068934	/nfs/dbraw/zinc/06/89/34/491068934.db2.gz	FIADEORGAFNYBF-UHFFFAOYSA-N	0	0	179.288	3.140	10	0		AGAERN
Cc1ccccc1SCCCF	308137034	491079837	/nfs/dbraw/zinc/07/98/37/491079837.db2.gz	DYXQTNLZZOQBTB-UHFFFAOYSA-N	0	0	184.279	3.447	10	0		AGAERN
CC(C)(C)CCSc1cccnn1	308140615	491080331	/nfs/dbraw/zinc/08/03/31/491080331.db2.gz	IHXGGSKJFYMYOM-UHFFFAOYSA-N	0	0	196.319	3.005	10	0		AGAERN
CCC[C@H](C)CN(CC)CC(F)F	308174732	491082638	/nfs/dbraw/zinc/08/26/38/491082638.db2.gz	CWSUGUWCBKFGSV-VIFPVBQESA-N	0	0	193.281	3.010	10	0		AGAERN
CCC[C@@H](C)CN(CC)CC(F)F	308174731	491082674	/nfs/dbraw/zinc/08/26/74/491082674.db2.gz	CWSUGUWCBKFGSV-SECBINFHSA-N	0	0	193.281	3.010	10	0		AGAERN
Cc1ccc(SCCCCF)nc1	308249890	491088386	/nfs/dbraw/zinc/08/83/86/491088386.db2.gz	BBBCBPHLITVSEZ-UHFFFAOYSA-N	0	0	199.294	3.232	10	0		AGAERN
Cc1cccnc1SCCCCF	308355755	491098462	/nfs/dbraw/zinc/09/84/62/491098462.db2.gz	BBAWURIZACMQHR-UHFFFAOYSA-N	0	0	199.294	3.232	10	0		AGAERN
CCCCOc1ccsc1C(C)=O	308397525	491101361	/nfs/dbraw/zinc/10/13/61/491101361.db2.gz	FFOFAWZAJHKZAR-UHFFFAOYSA-N	0	0	198.287	3.130	10	0		AGAERN
CC(C)c1nccn1CCCCCF	308459660	491105532	/nfs/dbraw/zinc/10/55/32/491105532.db2.gz	FUDROYQSWLTLLK-UHFFFAOYSA-N	0	0	198.285	3.146	10	0		AGAERN
Cc1cc(C)cc(OCCCCF)c1	308468490	491105982	/nfs/dbraw/zinc/10/59/82/491105982.db2.gz	ATEFIAXNWWYGDG-UHFFFAOYSA-N	0	0	196.265	3.432	10	0		AGAERN
CCCCO[P@@]1(=O)CC[C@@H](C)C1	584616540	491119967	/nfs/dbraw/zinc/11/99/67/491119967.db2.gz	VKELTLZFVXKGKS-SKDRFNHKSA-N	0	0	190.223	3.121	10	0		AGAERN
CC(C)c1cc2ccccc2n1C	5285180	1188765270	/nfs/dbraw/zinc/76/52/70/1188765270.db2.gz	QYUAUAYVRBCXJK-UHFFFAOYSA-N	0	0	173.259	3.302	10	0		AGAERN
COc1ccc(-c2ccccc2C)cn1	6815266	1188765629	/nfs/dbraw/zinc/76/56/29/1188765629.db2.gz	XZPYDOPNLRFQOX-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
Cc1cscc1-c1cccnc1	13607093	1188765958	/nfs/dbraw/zinc/76/59/58/1188765958.db2.gz	RRFCTHIOMKUJRQ-UHFFFAOYSA-N	0	0	175.256	3.119	10	0		AGAERN
COc1ccc(-c2cccc(C)c2)cn1	6814893	1188766095	/nfs/dbraw/zinc/76/60/95/1188766095.db2.gz	AXUPDEOPCOJVBD-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
Cc1ccc(N)cc1Nc1ccccc1	53734643	1188769198	/nfs/dbraw/zinc/76/91/98/1188769198.db2.gz	PTUSJMIOOGSMNE-UHFFFAOYSA-N	0	0	198.269	3.321	10	0		AGAERN
CCC(=O)Cc1ccc(C(C)C)cc1	53765681	1188769309	/nfs/dbraw/zinc/76/93/09/1188769309.db2.gz	BQHMGETZXDRDGF-UHFFFAOYSA-N	0	0	190.286	3.332	10	0		AGAERN
CCC(=O)Cc1c(C)cc(C)cc1C	53300806	1188770385	/nfs/dbraw/zinc/77/03/85/1188770385.db2.gz	NHFARTGULZKFTQ-UHFFFAOYSA-N	0	0	190.286	3.133	10	0		AGAERN
CC(C)C[C@H](C)Oc1ccc(O)cc1	59287285	1188771044	/nfs/dbraw/zinc/77/10/44/1188771044.db2.gz	FJQDSZRHJGTPGN-JTQLQIEISA-N	0	0	194.274	3.206	10	0		AGAERN
Cc1ccc(CC(F)(F)F)cc1C	59173009	1188771136	/nfs/dbraw/zinc/77/11/36/1188771136.db2.gz	OEKVQNGLOIXQOY-UHFFFAOYSA-N	0	0	188.192	3.408	10	0		AGAERN
Cc1cccc2[nH]c(-c3ccoc3)nc12	59511806	1188771384	/nfs/dbraw/zinc/77/13/84/1188771384.db2.gz	SDOLDDMXNVKWBL-UHFFFAOYSA-N	0	0	198.225	3.131	10	0		AGAERN
CCc1cc(C)cc(Cl)c1	59563282	1188771493	/nfs/dbraw/zinc/77/14/93/1188771493.db2.gz	BLBKFCPRLSORPN-UHFFFAOYSA-N	0	0	154.640	3.211	10	0		AGAERN
C=Cc1cc(F)ccc1OC(C)C	59051383	1188771595	/nfs/dbraw/zinc/77/15/95/1188771595.db2.gz	QZFOSNVXVFEIHS-UHFFFAOYSA-N	0	0	180.222	3.256	10	0		AGAERN
CC(C)(C)Cc1ccsc1	59217452	1188771790	/nfs/dbraw/zinc/77/17/90/1188771790.db2.gz	AUHMKHUWUGVYKU-UHFFFAOYSA-N	0	0	154.278	3.337	10	0		AGAERN
CC(C)C[C@@H](C)Oc1ccc(O)cc1	59287283	1188771901	/nfs/dbraw/zinc/77/19/01/1188771901.db2.gz	FJQDSZRHJGTPGN-SNVBAGLBSA-N	0	0	194.274	3.206	10	0		AGAERN
CCCc1cc(Cl)nc(Cl)c1	59682762	1188772244	/nfs/dbraw/zinc/77/22/44/1188772244.db2.gz	XGYPVXIWHAZZOC-UHFFFAOYSA-N	0	0	190.073	3.341	10	0		AGAERN
C=Cc1cc(F)c(F)cc1OC(C)C	59047600	1188772399	/nfs/dbraw/zinc/77/23/99/1188772399.db2.gz	CSVPMSDCPNXUAV-UHFFFAOYSA-N	0	0	198.212	3.395	10	0		AGAERN
CC[C@@H](C)c1ccc(F)cc1	59145464	1188772465	/nfs/dbraw/zinc/77/24/65/1188772465.db2.gz	VADJQCNDAHTNDW-MRVPVSSYSA-N	0	0	152.212	3.339	10	0		AGAERN
Cc1ccc(C2CCCC2)nc1	75840706	1188774134	/nfs/dbraw/zinc/77/41/34/1188774134.db2.gz	VRCDSEMQPSIBTG-UHFFFAOYSA-N	0	0	161.248	3.048	10	0		AGAERN
C[C@@H](O)c1ccc(C2CCCC2)cc1	75853340	1188774446	/nfs/dbraw/zinc/77/44/46/1188774446.db2.gz	BDSCREJYFMNKKC-SNVBAGLBSA-N	0	0	190.286	3.398	10	0		AGAERN
Cc1nc2ccccc2n1C(C)(C)C	75972738	1188774628	/nfs/dbraw/zinc/77/46/28/1188774628.db2.gz	MOQQMLWZXVAGHA-UHFFFAOYSA-N	0	0	188.274	3.100	10	0		AGAERN
CCCCO[C@@H](C)CCCC	77921848	1188774633	/nfs/dbraw/zinc/77/46/33/1188774633.db2.gz	VKOPMFNQJLLQMI-JTQLQIEISA-N	0	0	158.285	3.382	10	0		AGAERN
CCc1ccc(-c2ccncc2)cc1	78038687	1188775041	/nfs/dbraw/zinc/77/50/41/1188775041.db2.gz	NVSWQJOROBEHAC-UHFFFAOYSA-N	0	0	183.254	3.311	10	0		AGAERN
Cc1nc2ccc(F)cc2n1C(C)C	76210179	1188775173	/nfs/dbraw/zinc/77/51/73/1188775173.db2.gz	OOQMOHKMGRPSOO-UHFFFAOYSA-N	0	0	192.237	3.065	10	0		AGAERN
Cc1nc2c(F)cccc2n1C(C)C	76210364	1188775320	/nfs/dbraw/zinc/77/53/20/1188775320.db2.gz	ZVFJFEGSVJUASC-UHFFFAOYSA-N	0	0	192.237	3.065	10	0		AGAERN
Cc1cccc(-c2cncc(C)c2)c1	77914407	1188775366	/nfs/dbraw/zinc/77/53/66/1188775366.db2.gz	CYOIWVBVNKGSEH-UHFFFAOYSA-N	0	0	183.254	3.365	10	0		AGAERN
COc1cccc(C2CCCC2)c1F	75840453	1188775527	/nfs/dbraw/zinc/77/55/27/1188775527.db2.gz	NWWLWAICDJAEHA-UHFFFAOYSA-N	0	0	194.249	3.492	10	0		AGAERN
CCCc1cc(C)ccc1C	78846889	1188775824	/nfs/dbraw/zinc/77/58/24/1188775824.db2.gz	PWEDYOIWLPZSRP-UHFFFAOYSA-N	0	0	148.249	3.256	10	0		AGAERN
Cc1cccc(-c2ccccn2)c1C	78235627	1188776266	/nfs/dbraw/zinc/77/62/66/1188776266.db2.gz	XCYVKKWAQFOYOR-UHFFFAOYSA-N	0	0	183.254	3.365	10	0		AGAERN
C=Cc1ccccc1SC	136117172	1188778499	/nfs/dbraw/zinc/77/84/99/1188778499.db2.gz	IEYUGSMRAPGEPG-UHFFFAOYSA-N	0	0	150.246	3.052	10	0		AGAERN
CC[C@@H](C)c1ccc(N(C)C)cc1	135922804	1188778698	/nfs/dbraw/zinc/77/86/98/1188778698.db2.gz	WOVZNPKPNCOKKB-SNVBAGLBSA-N	0	0	177.291	3.266	10	0		AGAERN
CC[C@H](C)c1ccc(N(C)C)cc1	135922846	1188778928	/nfs/dbraw/zinc/77/89/28/1188778928.db2.gz	WOVZNPKPNCOKKB-JTQLQIEISA-N	0	0	177.291	3.266	10	0		AGAERN
Cc1ccc(OC(C)C)cc1C	196228729	1188782735	/nfs/dbraw/zinc/78/27/35/1188782735.db2.gz	AXMJVTLUDCBNKV-UHFFFAOYSA-N	0	0	164.248	3.091	10	0		AGAERN
CCc1ccc(Nc2ccccn2)cc1	196234965	1188782828	/nfs/dbraw/zinc/78/28/28/1188782828.db2.gz	MMIDKSOYWAHOEA-UHFFFAOYSA-N	0	0	198.269	3.388	10	0		AGAERN
Cc1ccc(Nc2ccc(C)cn2)cc1	196626801	1188783198	/nfs/dbraw/zinc/78/31/98/1188783198.db2.gz	CKFHUAQKMSRZHF-UHFFFAOYSA-N	0	0	198.269	3.442	10	0		AGAERN
Cc1ccc(Nc2cccc(C)c2)nc1	196626789	1188783235	/nfs/dbraw/zinc/78/32/35/1188783235.db2.gz	XVPKXLWPUALSNW-UHFFFAOYSA-N	0	0	198.269	3.442	10	0		AGAERN
Cc1ccc(Cc2cccc(C)n2)cc1	196631581	1188783286	/nfs/dbraw/zinc/78/32/86/1188783286.db2.gz	BDVKLQJUAAESAD-UHFFFAOYSA-N	0	0	197.281	3.289	10	0		AGAERN
Cc1ccc(Nc2ncccc2C)cc1	196626843	1188783301	/nfs/dbraw/zinc/78/33/01/1188783301.db2.gz	BGWQKOUOPGUIPM-UHFFFAOYSA-N	0	0	198.269	3.442	10	0		AGAERN
Cc1cccc(Nc2ncccc2C)c1	196626826	1188783365	/nfs/dbraw/zinc/78/33/65/1188783365.db2.gz	WOFGBEPUVBSDBO-UHFFFAOYSA-N	0	0	198.269	3.442	10	0		AGAERN
CC(C)=CCc1ccc(C)cc1O	215114008	1188786124	/nfs/dbraw/zinc/78/61/24/1188786124.db2.gz	JRYPSTWFAJHSQF-UHFFFAOYSA-N	0	0	176.259	3.209	10	0		AGAERN
CNc1ccccc1C=C(C)C	220680184	1188786927	/nfs/dbraw/zinc/78/69/27/1188786927.db2.gz	KRTWCXOTQXFYPD-UHFFFAOYSA-N	0	0	161.248	3.152	10	0		AGAERN
CC(C)C[C@@H](C)Oc1ccnc(F)c1	227637742	1188788608	/nfs/dbraw/zinc/78/86/08/1188788608.db2.gz	YNEGJXGOOQZEMN-SECBINFHSA-N	0	0	197.253	3.034	10	0		AGAERN
CCCNc1cc(SCC)ccn1	227673250	1188788901	/nfs/dbraw/zinc/78/89/01/1188788901.db2.gz	MHQNNHBUXCSWRL-UHFFFAOYSA-N	0	0	196.319	3.016	10	0		AGAERN
CC(C)C[C@H](C)Oc1ccnc(F)c1	227637744	1188789450	/nfs/dbraw/zinc/78/94/50/1188789450.db2.gz	YNEGJXGOOQZEMN-VIFPVBQESA-N	0	0	197.253	3.034	10	0		AGAERN
CCOc1ncccc1-c1ccccc1	231179214	1188792392	/nfs/dbraw/zinc/79/23/92/1188792392.db2.gz	IWTWBDOPHRCMLB-UHFFFAOYSA-N	0	0	199.253	3.147	10	0		AGAERN
Cc1ccc(O)cc1Nc1ccccc1	238460596	1188793623	/nfs/dbraw/zinc/79/36/23/1188793623.db2.gz	WJSSEEPXMIHAFX-UHFFFAOYSA-N	0	0	199.253	3.444	10	0		AGAERN
Cc1cnc(Nc2ccccc2)c(C)c1	238484232	1188793634	/nfs/dbraw/zinc/79/36/34/1188793634.db2.gz	JTOTUCPVGVMBMN-UHFFFAOYSA-N	0	0	198.269	3.442	10	0		AGAERN
Fc1cccc(CC2=CCCC2)c1	306617249	1188800100	/nfs/dbraw/zinc/80/01/00/1188800100.db2.gz	QXLCUALKUMBWRW-UHFFFAOYSA-N	0	0	176.234	3.479	10	0		AGAERN
Cc1cc(N)ccc1CCC(C)C	307007125	1188803046	/nfs/dbraw/zinc/80/30/46/1188803046.db2.gz	FYFAQDLAUPPZPO-UHFFFAOYSA-N	0	0	177.291	3.166	10	0		AGAERN
Cc1nc(CC2=CCCC2)cs1	307004709	1188803217	/nfs/dbraw/zinc/80/32/17/1188803217.db2.gz	CYSQNEDNIVRYRU-UHFFFAOYSA-N	0	0	179.288	3.104	10	0		AGAERN
CC[C@H](C)c1cccc(F)c1F	306985857	1188803793	/nfs/dbraw/zinc/80/37/93/1188803793.db2.gz	WYZTXKRWJASFPG-ZETCQYMHSA-N	0	0	170.202	3.478	10	0		AGAERN
CC[C@@H](C)c1cccc(F)c1F	306985856	1188804025	/nfs/dbraw/zinc/80/40/25/1188804025.db2.gz	WYZTXKRWJASFPG-SSDOTTSWSA-N	0	0	170.202	3.478	10	0		AGAERN
CC(C)C(C)(C)Sc1ncccn1	307034406	1188804457	/nfs/dbraw/zinc/80/44/57/1188804457.db2.gz	MPZPUUDHYPPAML-UHFFFAOYSA-N	0	0	196.319	3.003	10	0		AGAERN
CS[C@@H]1CCc2c(F)cccc21	307130852	1188805464	/nfs/dbraw/zinc/80/54/64/1188805464.db2.gz	FYVWSOITKZZLBC-SNVBAGLBSA-N	0	0	182.263	3.176	10	0		AGAERN
CS[C@H]1CCc2c(F)cccc21	307130851	1188805737	/nfs/dbraw/zinc/80/57/37/1188805737.db2.gz	FYVWSOITKZZLBC-JTQLQIEISA-N	0	0	182.263	3.176	10	0		AGAERN
Cc1cnccc1-c1ccsc1	307287047	1188806932	/nfs/dbraw/zinc/80/69/32/1188806932.db2.gz	SVSZFJDGYFGAFG-UHFFFAOYSA-N	0	0	175.256	3.119	10	0		AGAERN
c1ncc(CC2CCCCC2)s1	307690270	1188808908	/nfs/dbraw/zinc/80/89/08/1188808908.db2.gz	MGXGUQXDJYLXBN-UHFFFAOYSA-N	0	0	181.304	3.266	10	0		AGAERN
CC[C@H](C)[C@@H](C)Oc1cccc(N)c1	318991665	1188813788	/nfs/dbraw/zinc/81/37/88/1188813788.db2.gz	KPXNPECMSSYAHD-VHSXEESVSA-N	0	0	193.290	3.082	10	0		AGAERN
CC[C@@H](C)[C@H](C)Oc1cccc(N)c1	318991668	1188813852	/nfs/dbraw/zinc/81/38/52/1188813852.db2.gz	KPXNPECMSSYAHD-ZJUUUORDSA-N	0	0	193.290	3.082	10	0		AGAERN
CC[C@H](C)[C@H](C)Oc1cccc(N)c1	318991661	1188813886	/nfs/dbraw/zinc/81/38/86/1188813886.db2.gz	KPXNPECMSSYAHD-UWVGGRQHSA-N	0	0	193.290	3.082	10	0		AGAERN
CC[C@@H](C)[C@@H](C)Oc1cccc(N)c1	318991659	1188814094	/nfs/dbraw/zinc/81/40/94/1188814094.db2.gz	KPXNPECMSSYAHD-NXEZZACHSA-N	0	0	193.290	3.082	10	0		AGAERN
Cc1cc(-c2ccccc2O)cc(C)n1	379967776	1188819042	/nfs/dbraw/zinc/81/90/42/1188819042.db2.gz	OQIFBPLRGXIQNW-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
COc1cc(Cl)cc(CC2CC2)c1	822256561	1188827017	/nfs/dbraw/zinc/82/70/17/1188827017.db2.gz	SOGCLXDVUKJDGL-UHFFFAOYSA-N	0	0	196.677	3.301	10	0		AGAERN
COc1ccc(CC2CC2)cc1Cl	822256694	1188827061	/nfs/dbraw/zinc/82/70/61/1188827061.db2.gz	XEEARVGYFZPGFY-UHFFFAOYSA-N	0	0	196.677	3.301	10	0		AGAERN
COc1cccc(CC2CC2)c1Cl	822256339	1188827083	/nfs/dbraw/zinc/82/70/83/1188827083.db2.gz	LZTHZQXTDDSRSX-UHFFFAOYSA-N	0	0	196.677	3.301	10	0		AGAERN
COc1cc(CC2CC2)ccc1Cl	822256043	1188827093	/nfs/dbraw/zinc/82/70/93/1188827093.db2.gz	CXZNATFKPVKPAD-UHFFFAOYSA-N	0	0	196.677	3.301	10	0		AGAERN
CC[C@H](C)CN(C)c1ccc(C)cc1	1459415067	1188842009	/nfs/dbraw/zinc/84/20/09/1188842009.db2.gz	QCDGMJCENBGCAK-NSHDSACASA-N	0	0	191.318	3.477	10	0		AGAERN
CC[C@@H](C)CN(C)c1ccc(C)cc1	1459415047	1188842993	/nfs/dbraw/zinc/84/29/93/1188842993.db2.gz	QCDGMJCENBGCAK-LLVKDONJSA-N	0	0	191.318	3.477	10	0		AGAERN
CCCCCN(C)c1ccccc1F	1473270137	1188844147	/nfs/dbraw/zinc/84/41/47/1188844147.db2.gz	NRXADTRSKSGRTJ-UHFFFAOYSA-N	0	0	195.281	3.452	10	0		AGAERN
CC[C@H](C)c1ccc(OC(C)=O)cc1	32145448	697619020	/nfs/dbraw/zinc/61/90/20/697619020.db2.gz	CECFXTLUSUSYDG-VIFPVBQESA-N	0	0	192.258	3.125	10	0		AGAERN
CC[C@@H](C)c1ccc(OC(C)=O)cc1	32145444	697619146	/nfs/dbraw/zinc/61/91/46/697619146.db2.gz	CECFXTLUSUSYDG-SECBINFHSA-N	0	0	192.258	3.125	10	0		AGAERN
CCCCC(=O)OCCCC(C)C	32230371	697619505	/nfs/dbraw/zinc/61/95/05/697619505.db2.gz	DGPWYHDBEBYWGH-UHFFFAOYSA-N	0	0	186.295	3.156	10	0		AGAERN
CCCCC(=O)Oc1cccc(C)c1	32180452	697619666	/nfs/dbraw/zinc/61/96/66/697619666.db2.gz	MEKODTPFXNDIKN-UHFFFAOYSA-N	0	0	192.258	3.091	10	0		AGAERN
CCO[C@H](C)Sc1ccccc1	34534253	697619992	/nfs/dbraw/zinc/61/99/92/697619992.db2.gz	BRASONDSQAWKJQ-VIFPVBQESA-N	0	0	182.288	3.161	10	0		AGAERN
CCO[C@@H](C)Sc1ccccc1	34534252	697620023	/nfs/dbraw/zinc/62/00/23/697620023.db2.gz	BRASONDSQAWKJQ-SECBINFHSA-N	0	0	182.288	3.161	10	0		AGAERN
CCCCCC[C@@H](C)OC(=O)CC	34256423	697620143	/nfs/dbraw/zinc/62/01/43/697620143.db2.gz	AJJGEXYNDGEAQF-SNVBAGLBSA-N	0	0	186.295	3.299	10	0		AGAERN
Cc1ccc(-c2oc(C)nc2C)cc1	58520625	697623534	/nfs/dbraw/zinc/62/35/34/697623534.db2.gz	HOCXGNPZEFVHFC-UHFFFAOYSA-N	0	0	187.242	3.267	10	0		AGAERN
CC(C)CCCOC(=O)C1CCCC1	142833148	697650015	/nfs/dbraw/zinc/65/00/15/697650015.db2.gz	DSEAOHFTDWDJGO-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CNc1ccc(C(C)(C)C)c(F)c1	144795491	697650750	/nfs/dbraw/zinc/65/07/50/697650750.db2.gz	WLWXJVDLDAVBKG-UHFFFAOYSA-N	0	0	181.254	3.165	10	0		AGAERN
CC(C)Nc1ccc(C(C)C)nc1	145219375	697651372	/nfs/dbraw/zinc/65/13/72/697651372.db2.gz	ACGDCSXLGKQAKF-UHFFFAOYSA-N	0	0	178.279	3.025	10	0		AGAERN
CCCCOC(=O)C1(C)CCCCC1	146285311	697652112	/nfs/dbraw/zinc/65/21/12/697652112.db2.gz	DWECQKQNQDITFK-UHFFFAOYSA-N	0	0	198.306	3.300	10	0		AGAERN
CC/C=C\CCOC(=O)[C@@H](C)CCC	146753437	697652724	/nfs/dbraw/zinc/65/27/24/697652724.db2.gz	FCVRQOBREFBNQX-ZADCQDASSA-N	0	0	198.306	3.322	10	0		AGAERN
CC/C=C\CCOC(=O)[C@H](C)CCC	146753234	697652868	/nfs/dbraw/zinc/65/28/68/697652868.db2.gz	FCVRQOBREFBNQX-JMEBYUIHSA-N	0	0	198.306	3.322	10	0		AGAERN
CCCCOC(=O)/C=C(\C)CCC	148033933	697654423	/nfs/dbraw/zinc/65/44/23/697654423.db2.gz	DGAQNEKTQHBGEK-MDZDMXLPSA-N	0	0	184.279	3.076	10	0		AGAERN
CCC(=CC(=O)O[C@H](C)CC)CC	148555834	697655440	/nfs/dbraw/zinc/65/54/40/697655440.db2.gz	CQWGPESJKCDLKC-SECBINFHSA-N	0	0	184.279	3.075	10	0		AGAERN
CC[C@H](C)OC(=O)[C@@H](C)CC(C)C	165487955	697670344	/nfs/dbraw/zinc/67/03/44/697670344.db2.gz	ZSVGVQYCSFXBGO-UWVGGRQHSA-N	0	0	186.295	3.010	10	0		AGAERN
CC[C@H](C)OC(=O)[C@H](C)CC(C)C	165488220	697670351	/nfs/dbraw/zinc/67/03/51/697670351.db2.gz	ZSVGVQYCSFXBGO-ZJUUUORDSA-N	0	0	186.295	3.010	10	0		AGAERN
CC[C@@H](C)OC(=O)[C@H](C)CC(C)C	165488091	697670425	/nfs/dbraw/zinc/67/04/25/697670425.db2.gz	ZSVGVQYCSFXBGO-NXEZZACHSA-N	0	0	186.295	3.010	10	0		AGAERN
CC(=O)OC[C@@H](C)CC1CCCCC1	166946487	697674814	/nfs/dbraw/zinc/67/48/14/697674814.db2.gz	ZNURTGDIQADWAZ-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
CC(=O)OC[C@H](C)CC1CCCCC1	166946376	697674926	/nfs/dbraw/zinc/67/49/26/697674926.db2.gz	ZNURTGDIQADWAZ-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
Cc1ccc2snc(Cl)c2c1	196329522	697680092	/nfs/dbraw/zinc/68/00/92/697680092.db2.gz	SZRNYHCXIARAHX-UHFFFAOYSA-N	0	0	183.663	3.258	10	0		AGAERN
CN(C[Si](C)(C)C)c1ccccc1	196297606	697680123	/nfs/dbraw/zinc/68/01/23/697680123.db2.gz	ICYDDXYFNOMEKR-UHFFFAOYSA-N	0	0	193.366	3.000	10	0		AGAERN
CC(C)Oc1cccc(C(F)F)c1	198739392	697680716	/nfs/dbraw/zinc/68/07/16/697680716.db2.gz	FSLBMCAVOJDYDG-UHFFFAOYSA-N	0	0	186.201	3.411	10	0		AGAERN
Cc1csc(C2CCSCC2)n1	199787322	697681110	/nfs/dbraw/zinc/68/11/10/697681110.db2.gz	NTCPPWSEBVDSKQ-UHFFFAOYSA-N	0	0	199.344	3.062	10	0		AGAERN
C[C@@H]1CCC[C@@H]2[C@@H](C)[C@]12C	222339680	697686382	/nfs/dbraw/zinc/68/63/82/697686382.db2.gz	SDBSKZZVLNEBJW-KYXWUPHJSA-N	0	0	138.254	3.079	10	0		AGAERN
C[C@H]1[C@H]2CCC[C@@H](C)[C@@]12C	222339736	697686490	/nfs/dbraw/zinc/68/64/90/697686490.db2.gz	SDBSKZZVLNEBJW-RGOKHQFPSA-N	0	0	138.254	3.079	10	0		AGAERN
CCC[C@@](C)(CC)C(=O)OC1CCC1	222839719	697687044	/nfs/dbraw/zinc/68/70/44/697687044.db2.gz	HVSSDNLRQNCGBC-GFCCVEGCSA-N	0	0	198.306	3.299	10	0		AGAERN
CCC[C@](C)(CC)C(=O)OC1CCC1	222839778	697687092	/nfs/dbraw/zinc/68/70/92/697687092.db2.gz	HVSSDNLRQNCGBC-LBPRGKRZSA-N	0	0	198.306	3.299	10	0		AGAERN
CCCCC(=O)OC1(C)CCCC1	223591353	697687800	/nfs/dbraw/zinc/68/78/00/697687800.db2.gz	WFOXKLVWPMBEJP-UHFFFAOYSA-N	0	0	184.279	3.053	10	0		AGAERN
CSCCSCCC(C)C	224771993	697689524	/nfs/dbraw/zinc/68/95/24/697689524.db2.gz	IZCSIKMUGOKFDV-UHFFFAOYSA-N	0	0	178.366	3.129	10	0		AGAERN
CCCOC(=O)[C@H]1CCCCC1(C)C	226623294	697693552	/nfs/dbraw/zinc/69/35/52/697693552.db2.gz	KFVPJEDVWCHGQT-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
CC(C)c1nc([C@H]2C[C@H]2C)cs1	307409514	697743695	/nfs/dbraw/zinc/74/36/95/697743695.db2.gz	PRGQQAGUDINXKV-SFYZADRCSA-N	0	0	181.304	3.390	10	0		AGAERN
CC(C)c1nc([C@H]2C[C@@H]2C)cs1	307409515	697743687	/nfs/dbraw/zinc/74/36/87/697743687.db2.gz	PRGQQAGUDINXKV-YUMQZZPRSA-N	0	0	181.304	3.390	10	0		AGAERN
CSCSc1cc(C)cc(C)n1	307687124	697750301	/nfs/dbraw/zinc/75/03/01/697750301.db2.gz	DLWDOPZYLLDXSE-UHFFFAOYSA-N	0	0	199.344	3.111	10	0		AGAERN
CCCC(=O)O[C@H](C)[C@@H](C)CCC	308171009	697759364	/nfs/dbraw/zinc/75/93/64/697759364.db2.gz	BKXSDKKTMVZGSQ-VHSXEESVSA-N	0	0	186.295	3.154	10	0		AGAERN
CO[C@H](C)CSC(C)(C)C(C)C	308171291	697759416	/nfs/dbraw/zinc/75/94/16/697759416.db2.gz	WUXBBUHKNQNGOA-SECBINFHSA-N	0	0	190.352	3.189	10	0		AGAERN
CCCC(=O)O[C@H](C)[C@H](C)CCC	308171007	697759465	/nfs/dbraw/zinc/75/94/65/697759465.db2.gz	BKXSDKKTMVZGSQ-NXEZZACHSA-N	0	0	186.295	3.154	10	0		AGAERN
CCCC(=O)O[C@@H](C)[C@@H](C)CCC	308171008	697759523	/nfs/dbraw/zinc/75/95/23/697759523.db2.gz	BKXSDKKTMVZGSQ-UWVGGRQHSA-N	0	0	186.295	3.154	10	0		AGAERN
CCC(CC)CCOC(=O)C(C)C	308171021	697759527	/nfs/dbraw/zinc/75/95/27/697759527.db2.gz	BLZDQMHNQMEFRG-UHFFFAOYSA-N	0	0	186.295	3.012	10	0		AGAERN
CCC(C)N=Nc1ccc(C)cc1	308288486	697765537	/nfs/dbraw/zinc/76/55/37/697765537.db2.gz	FQFZIJSCHPJWOD-UHFFFAOYSA-N	0	0	176.263	3.193	10	0		AGAERN
CCCCCCSc1cccnn1	308320756	697766027	/nfs/dbraw/zinc/76/60/27/697766027.db2.gz	YODKEWPYOGHKTB-UHFFFAOYSA-N	0	0	196.319	3.149	10	0		AGAERN
CCON=Cc1cc(C)cc(Cl)c1	378853643	697790115	/nfs/dbraw/zinc/79/01/15/697790115.db2.gz	IAQLCCCRXQCMBF-UHFFFAOYSA-N	0	0	197.665	3.019	10	0		AGAERN
CSCCSCC1CCCC1	378973397	697796499	/nfs/dbraw/zinc/79/64/99/697796499.db2.gz	KVVRSNGQPHCVLX-UHFFFAOYSA-N	0	0	190.377	3.273	10	0		AGAERN
CC(C)(C)CSCOC1CCC1	379322091	697815472	/nfs/dbraw/zinc/81/54/72/697815472.db2.gz	GXFKHMYMKGBXJC-UHFFFAOYSA-N	0	0	188.336	3.292	10	0		AGAERN
CCC[C@@H](O)CCCSC(C)C	379324940	697817787	/nfs/dbraw/zinc/81/77/87/697817787.db2.gz	ACMOBTVDGJADLC-SNVBAGLBSA-N	0	0	190.352	3.069	10	0		AGAERN
CCC[C@H](O)CCCSC(C)C	379324939	697817834	/nfs/dbraw/zinc/81/78/34/697817834.db2.gz	ACMOBTVDGJADLC-JTQLQIEISA-N	0	0	190.352	3.069	10	0		AGAERN
CCCCCCSC[C@@H](C)OC	379338063	697831107	/nfs/dbraw/zinc/83/11/07/697831107.db2.gz	BUBYAPYXTHXOAJ-SNVBAGLBSA-N	0	0	190.352	3.335	10	0		AGAERN
CCCCCCSC[C@H](C)OC	379338062	697831250	/nfs/dbraw/zinc/83/12/50/697831250.db2.gz	BUBYAPYXTHXOAJ-JTQLQIEISA-N	0	0	190.352	3.335	10	0		AGAERN
CCCCCCSc1cnccn1	379353107	697834978	/nfs/dbraw/zinc/83/49/78/697834978.db2.gz	DRJLGNSINIJQMP-UHFFFAOYSA-N	0	0	196.319	3.149	10	0		AGAERN
CC1=CC(=NOC/C=C\Cl)CCC1	379353609	697835585	/nfs/dbraw/zinc/83/55/85/697835585.db2.gz	FYPAUKKSAOEFPW-SMSDMOCXSA-N	0	0	199.681	3.242	10	0		AGAERN
CC1=CC(=NOC/C=C/Cl)CCC1	379353608	697835644	/nfs/dbraw/zinc/83/56/44/697835644.db2.gz	FYPAUKKSAOEFPW-NPHZPUFASA-N	0	0	199.681	3.242	10	0		AGAERN
CCCCCCSCc1ccno1	379355063	697836617	/nfs/dbraw/zinc/83/66/17/697836617.db2.gz	KJFYCPKNCAXIKH-UHFFFAOYSA-N	0	0	199.319	3.488	10	0		AGAERN
CC[C@H](C)CC(=O)OCC(C)(C)C	379358610	697839727	/nfs/dbraw/zinc/83/97/27/697839727.db2.gz	VUNDOTLKVBLGBW-VIFPVBQESA-N	0	0	186.295	3.012	10	0		AGAERN
CC[C@@H](C)CC(=O)OCC(C)(C)C	379358609	697839766	/nfs/dbraw/zinc/83/97/66/697839766.db2.gz	VUNDOTLKVBLGBW-SECBINFHSA-N	0	0	186.295	3.012	10	0		AGAERN
CSCc1ccc(OC(C)C)cc1	379361528	697842771	/nfs/dbraw/zinc/84/27/71/697842771.db2.gz	CPQWTPIYAPIQPZ-UHFFFAOYSA-N	0	0	196.315	3.337	10	0		AGAERN
CC[C@H](C)C(=O)OCC(C)(C)CC	379372938	697849681	/nfs/dbraw/zinc/84/96/81/697849681.db2.gz	WCQXXZJXIGZRRN-VIFPVBQESA-N	0	0	186.295	3.012	10	0		AGAERN
CC[C@@H](C)C(=O)OCC(C)(C)CC	379372857	697849866	/nfs/dbraw/zinc/84/98/66/697849866.db2.gz	WCQXXZJXIGZRRN-SECBINFHSA-N	0	0	186.295	3.012	10	0		AGAERN
CCC[C@H](CC)OC(=O)C=C(C)C	379377802	697853173	/nfs/dbraw/zinc/85/31/73/697853173.db2.gz	YYTLISLTDXDBEY-JTQLQIEISA-N	0	0	184.279	3.075	10	0		AGAERN
CCC[C@@H](CC)OC(=O)C=C(C)C	379377803	697853294	/nfs/dbraw/zinc/85/32/94/697853294.db2.gz	YYTLISLTDXDBEY-SNVBAGLBSA-N	0	0	184.279	3.075	10	0		AGAERN
CCCCOC(=O)c1csc(C)c1	379382032	697858233	/nfs/dbraw/zinc/85/82/33/697858233.db2.gz	HXELXUBCTZSHCV-UHFFFAOYSA-N	0	0	198.287	3.013	10	0		AGAERN
CCCSCc1ncc(C(C)C)o1	379384870	697860713	/nfs/dbraw/zinc/86/07/13/697860713.db2.gz	QJHSUWHYUOMMPM-UHFFFAOYSA-N	0	0	199.319	3.441	10	0		AGAERN
CC(C)CCC(=O)O[C@H](C)C(C)C	379396545	697871755	/nfs/dbraw/zinc/87/17/55/697871755.db2.gz	CTXRHGYRAMPYQM-SNVBAGLBSA-N	0	0	186.295	3.010	10	0		AGAERN
CC(C)CCC(=O)O[C@@H](C)C(C)C	379396544	697871810	/nfs/dbraw/zinc/87/18/10/697871810.db2.gz	CTXRHGYRAMPYQM-JTQLQIEISA-N	0	0	186.295	3.010	10	0		AGAERN
CCC[C@H](C)[C@@H](C)OC(=O)C(C)C	379397161	697872046	/nfs/dbraw/zinc/87/20/46/697872046.db2.gz	LNHWSKOMPMIHRY-VHSXEESVSA-N	0	0	186.295	3.010	10	0		AGAERN
CCC[C@@H](C)[C@H](C)OC(=O)C(C)C	379397163	697872213	/nfs/dbraw/zinc/87/22/13/697872213.db2.gz	LNHWSKOMPMIHRY-ZJUUUORDSA-N	0	0	186.295	3.010	10	0		AGAERN
CCC[C@H](C)[C@H](C)OC(=O)C(C)C	379397160	697872221	/nfs/dbraw/zinc/87/22/21/697872221.db2.gz	LNHWSKOMPMIHRY-UWVGGRQHSA-N	0	0	186.295	3.010	10	0		AGAERN
CCCC(=O)OCCC(CC)CC	379397165	697872283	/nfs/dbraw/zinc/87/22/83/697872283.db2.gz	LOKLYLBWKPPWKH-UHFFFAOYSA-N	0	0	186.295	3.156	10	0		AGAERN
CCC[C@@H](C)[C@@H](C)OC(=O)C(C)C	379397159	697872348	/nfs/dbraw/zinc/87/23/48/697872348.db2.gz	LNHWSKOMPMIHRY-NXEZZACHSA-N	0	0	186.295	3.010	10	0		AGAERN
CCCCC(=O)OC[C@H](C)CCC	379407389	697882697	/nfs/dbraw/zinc/88/26/97/697882697.db2.gz	YNIILDZXXJZOMP-SNVBAGLBSA-N	0	0	186.295	3.156	10	0		AGAERN
CCCCC(=O)OC[C@@H](C)CCC	379407388	697882776	/nfs/dbraw/zinc/88/27/76/697882776.db2.gz	YNIILDZXXJZOMP-JTQLQIEISA-N	0	0	186.295	3.156	10	0		AGAERN
CN(CCC(C)(C)C)c1nccs1	379407752	697883210	/nfs/dbraw/zinc/88/32/10/697883210.db2.gz	ZLVHFONIKPRCIP-UHFFFAOYSA-N	0	0	198.335	3.016	10	0		AGAERN
CCC[C@H](C)COC(=O)C(C)(C)C	379409378	697884426	/nfs/dbraw/zinc/88/44/26/697884426.db2.gz	CTPZAHMUMZQYCI-VIFPVBQESA-N	0	0	186.295	3.012	10	0		AGAERN
CCC[C@@H](C)COC(=O)C(C)(C)C	379409377	697884536	/nfs/dbraw/zinc/88/45/36/697884536.db2.gz	CTPZAHMUMZQYCI-SECBINFHSA-N	0	0	186.295	3.012	10	0		AGAERN
CC(C)C(C)(C)SCc1ccno1	379417228	697892790	/nfs/dbraw/zinc/89/27/90/697892790.db2.gz	UEKDNGAEFWGWDE-UHFFFAOYSA-N	0	0	199.319	3.342	10	0		AGAERN
CC(C)C(C)(C)SCc1cn[nH]c1	379420092	697895934	/nfs/dbraw/zinc/89/59/34/697895934.db2.gz	ZPWGNWODWFOYLK-UHFFFAOYSA-N	0	0	198.335	3.078	10	0		AGAERN
CC(C)CSC/C=C\Cl	382239354	697921461	/nfs/dbraw/zinc/92/14/61/697921461.db2.gz	GATCPJZREZQTPE-ARJAWSKDSA-N	0	0	164.701	3.128	10	0		AGAERN
CCCCOC(=O)[C@@H]1CCC[C@@H](C)C1	383101892	697925933	/nfs/dbraw/zinc/92/59/33/697925933.db2.gz	FQHXPPYNMPCYSM-GHMZBOCLSA-N	0	0	198.306	3.156	10	0		AGAERN
CCCCOC(=O)[C@H]1CCC[C@@H](C)C1	383101910	697926287	/nfs/dbraw/zinc/92/62/87/697926287.db2.gz	FQHXPPYNMPCYSM-MNOVXSKESA-N	0	0	198.306	3.156	10	0		AGAERN
CCCCOC(=O)[C@H]1CCC[C@H](C)C1	383101920	697926321	/nfs/dbraw/zinc/92/63/21/697926321.db2.gz	FQHXPPYNMPCYSM-QWRGUYRKSA-N	0	0	198.306	3.156	10	0		AGAERN
CCCCOC(=O)[C@@H]1CCC[C@H](C)C1	383101921	697926952	/nfs/dbraw/zinc/92/69/52/697926952.db2.gz	FQHXPPYNMPCYSM-WDEREUQCSA-N	0	0	198.306	3.156	10	0		AGAERN
CCSCCSCC1CCC1	388064573	697940294	/nfs/dbraw/zinc/94/02/94/697940294.db2.gz	AHUFFRXXCDKFRE-UHFFFAOYSA-N	0	0	190.377	3.273	10	0		AGAERN
CCCSCC(F)(F)C(F)F	388115837	697941872	/nfs/dbraw/zinc/94/18/72/697941872.db2.gz	GSCYBZVNEPNEQX-UHFFFAOYSA-N	0	0	190.205	3.030	10	0		AGAERN
CCCCOC(=O)/C(C)=C(/C)CC	388204784	697944984	/nfs/dbraw/zinc/94/49/84/697944984.db2.gz	CVPCSEBRVHXZJC-KTKRTIGZSA-N	0	0	184.279	3.076	10	0		AGAERN
CCCCOC(=O)/C(C)=C(\C)CC	388204785	697944981	/nfs/dbraw/zinc/94/49/81/697944981.db2.gz	CVPCSEBRVHXZJC-MDZDMXLPSA-N	0	0	184.279	3.076	10	0		AGAERN
CCCOC(=O)CC(C)(C)CCC	388250296	697947379	/nfs/dbraw/zinc/94/73/79/697947379.db2.gz	WFGMRMTUSVZJJV-UHFFFAOYSA-N	0	0	186.295	3.156	10	0		AGAERN
CCC[C@H](CC)OC(=O)CC(C)C	388310289	697951848	/nfs/dbraw/zinc/95/18/48/697951848.db2.gz	RHWLPDIRUWADGQ-JTQLQIEISA-N	0	0	186.295	3.154	10	0		AGAERN
CCC[C@@H](CC)OC(=O)CC(C)C	388310290	697952065	/nfs/dbraw/zinc/95/20/65/697952065.db2.gz	RHWLPDIRUWADGQ-SNVBAGLBSA-N	0	0	186.295	3.154	10	0		AGAERN
COCCCSC(C)(C)C(C)C	388480059	697968705	/nfs/dbraw/zinc/96/87/05/697968705.db2.gz	UECQNKRVIMHHMR-UHFFFAOYSA-N	0	0	190.352	3.191	10	0		AGAERN
CCOCCSC(C)(C)C(C)C	388484786	697968846	/nfs/dbraw/zinc/96/88/46/697968846.db2.gz	YUHOCEMWNXQWGV-UHFFFAOYSA-N	0	0	190.352	3.191	10	0		AGAERN
CCOCSc1ccc(C)cc1	388487581	697969133	/nfs/dbraw/zinc/96/91/33/697969133.db2.gz	DGBWIELZWMDFLU-UHFFFAOYSA-N	0	0	182.288	3.081	10	0		AGAERN
CCCCCC(=O)OC1(C)CCC1	388595175	697976551	/nfs/dbraw/zinc/97/65/51/697976551.db2.gz	CJSYMESTYKSFJI-UHFFFAOYSA-N	0	0	184.279	3.053	10	0		AGAERN
CC1=CC(=NOCC(C)C)CCC1	388618974	697980042	/nfs/dbraw/zinc/98/00/42/697980042.db2.gz	DTJFPBAOCROTJN-UHFFFAOYSA-N	0	0	181.279	3.145	10	0		AGAERN
Cc1ccc(N(C)C/C=C\Cl)cc1	388751051	697992372	/nfs/dbraw/zinc/99/23/72/697992372.db2.gz	BRKAWMQQTLUYBS-BAQGIRSFSA-N	0	0	195.693	3.184	10	0		AGAERN
CCCCCSc1nccn1CC	388851387	698000298	/nfs/dbraw/zinc/00/02/98/698000298.db2.gz	BCUICWHRXXVFPI-UHFFFAOYSA-N	0	0	198.335	3.185	10	0		AGAERN
CCSCSCc1ccco1	393509993	698018695	/nfs/dbraw/zinc/01/86/95/698018695.db2.gz	SJQRKQGIOWWEKM-UHFFFAOYSA-N	0	0	188.317	3.223	10	0		AGAERN
COCSC(C)(C)c1ccccc1	393703340	698022056	/nfs/dbraw/zinc/02/20/56/698022056.db2.gz	JROPCLZRNXPFHK-UHFFFAOYSA-N	0	0	196.315	3.259	10	0		AGAERN
CCCCOc1c(C)ccnc1Cl	393710274	698023201	/nfs/dbraw/zinc/02/32/01/698023201.db2.gz	HPOCYFJRQMEECU-UHFFFAOYSA-N	0	0	199.681	3.222	10	0		AGAERN
Cc1cc(-c2ccc(C=O)s2)co1	706474290	698054639	/nfs/dbraw/zinc/05/46/39/698054639.db2.gz	OKYOVHCBTJUWPE-UHFFFAOYSA-N	0	0	192.239	3.129	10	0		AGAERN
c1ccc(-c2cnc(C3CC3)o2)cc1	722394010	698071187	/nfs/dbraw/zinc/07/11/87/698071187.db2.gz	MHSHKYJAIFJCQH-UHFFFAOYSA-N	0	0	185.226	3.219	10	0		AGAERN
CC/C=C/COC(=O)CC1CCCC1	727044520	698079722	/nfs/dbraw/zinc/07/97/22/698079722.db2.gz	YLEHIFRIZLBLKT-ZZXKWVIFSA-N	0	0	196.290	3.076	10	0		AGAERN
CC/C=C\COC(=O)CC1CCCC1	727044519	698079863	/nfs/dbraw/zinc/07/98/63/698079863.db2.gz	YLEHIFRIZLBLKT-UTCJRWHESA-N	0	0	196.290	3.076	10	0		AGAERN
CC/C=C/COC(=O)/C=C(\C)CCC	727044690	698079876	/nfs/dbraw/zinc/07/98/76/698079876.db2.gz	JGVBKXMTNTZBTO-MVQNEBOGSA-N	0	0	196.290	3.242	10	0		AGAERN
CC/C=C\COC(=O)/C=C(\C)CCC	727044689	698079951	/nfs/dbraw/zinc/07/99/51/698079951.db2.gz	JGVBKXMTNTZBTO-JFEAUALZSA-N	0	0	196.290	3.242	10	0		AGAERN
CC/C=C/COC(=O)C1CCCCC1	727045800	698079964	/nfs/dbraw/zinc/07/99/64/698079964.db2.gz	TZTBBQVIUSJSQX-XVNBXDOJSA-N	0	0	196.290	3.076	10	0		AGAERN
CC/C=C\COC(=O)/C=C(/C)CCC	727044691	698080035	/nfs/dbraw/zinc/08/00/35/698080035.db2.gz	JGVBKXMTNTZBTO-QOXWLJPHSA-N	0	0	196.290	3.242	10	0		AGAERN
CC/C=C/COC(=O)/C=C(/C)CCC	727044692	698080061	/nfs/dbraw/zinc/08/00/61/698080061.db2.gz	JGVBKXMTNTZBTO-WFKFFMJQSA-N	0	0	196.290	3.242	10	0		AGAERN
CC/C=C\COC(=O)C1CCCCC1	727045799	698080076	/nfs/dbraw/zinc/08/00/76/698080076.db2.gz	TZTBBQVIUSJSQX-CLTKARDFSA-N	0	0	196.290	3.076	10	0		AGAERN
CCCCCOC(=O)/C=C/C(C)(C)C	732402481	698082847	/nfs/dbraw/zinc/08/28/47/698082847.db2.gz	SEEBLXYNQZGDCC-CMDGGOBGSA-N	0	0	198.306	3.322	10	0		AGAERN
CC(C)CCOC(=O)/C=C/C(C)(C)C	732404840	698082877	/nfs/dbraw/zinc/08/28/77/698082877.db2.gz	OYYCSSSYIPHGPL-SOFGYWHQSA-N	0	0	198.306	3.178	10	0		AGAERN
CC(C)CCOC(=O)/C=C\C(C)(C)C	732404841	698082901	/nfs/dbraw/zinc/08/29/01/698082901.db2.gz	OYYCSSSYIPHGPL-VURMDHGXSA-N	0	0	198.306	3.178	10	0		AGAERN
CCCCCOC(=O)/C=C\C(C)(C)C	732402482	698082912	/nfs/dbraw/zinc/08/29/12/698082912.db2.gz	SEEBLXYNQZGDCC-HJWRWDBZSA-N	0	0	198.306	3.322	10	0		AGAERN
CC[C@@H](CC(=O)OC1CCC1)C(C)C	747770654	698083960	/nfs/dbraw/zinc/08/39/60/698083960.db2.gz	HCIWJZPBBAUTSV-JTQLQIEISA-N	0	0	198.306	3.154	10	0		AGAERN
CC[C@H](CC(=O)OC1CCC1)C(C)C	747770655	698084023	/nfs/dbraw/zinc/08/40/23/698084023.db2.gz	HCIWJZPBBAUTSV-SNVBAGLBSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)C[C@H](C)C(=O)OCC1CCC1	765530564	698089355	/nfs/dbraw/zinc/08/93/55/698089355.db2.gz	PORLUTBYNQSJRF-JTQLQIEISA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)C[C@@H](C)C(=O)OCCC1CC1	765530959	698089426	/nfs/dbraw/zinc/08/94/26/698089426.db2.gz	PXXKXLPKPGSMRQ-SNVBAGLBSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)C[C@H](C)C(=O)OCCC1CC1	765530958	698089540	/nfs/dbraw/zinc/08/95/40/698089540.db2.gz	PXXKXLPKPGSMRQ-JTQLQIEISA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)C[C@@H](C)C(=O)OCC1CCC1	765530565	698089568	/nfs/dbraw/zinc/08/95/68/698089568.db2.gz	PORLUTBYNQSJRF-SNVBAGLBSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)C[C@H](C)C(=O)OC1(C)CCC1	765611740	698089935	/nfs/dbraw/zinc/08/99/35/698089935.db2.gz	HVVUSLJZIKUWAG-JTQLQIEISA-N	0	0	198.306	3.154	10	0		AGAERN
CC/C=C/COC(=O)[C@@H](C)CC(C)C	765590082	698089987	/nfs/dbraw/zinc/08/99/87/698089987.db2.gz	HMGPMJGGDYNIQS-MLRMMBSGSA-N	0	0	198.306	3.178	10	0		AGAERN
CC(C)C[C@@H](C)C(=O)OC1(C)CCC1	765611741	698090026	/nfs/dbraw/zinc/09/00/26/698090026.db2.gz	HVVUSLJZIKUWAG-SNVBAGLBSA-N	0	0	198.306	3.154	10	0		AGAERN
CC/C=C\COC(=O)[C@@H](C)CC(C)C	765590084	698090032	/nfs/dbraw/zinc/09/00/32/698090032.db2.gz	HMGPMJGGDYNIQS-ZADCQDASSA-N	0	0	198.306	3.178	10	0		AGAERN
CC/C=C\COC(=O)[C@H](C)CC(C)C	765590081	698090048	/nfs/dbraw/zinc/09/00/48/698090048.db2.gz	HMGPMJGGDYNIQS-JMEBYUIHSA-N	0	0	198.306	3.178	10	0		AGAERN
CC/C=C/COC(=O)[C@H](C)CC(C)C	765590083	698090105	/nfs/dbraw/zinc/09/01/05/698090105.db2.gz	HMGPMJGGDYNIQS-XUIVZRPNSA-N	0	0	198.306	3.178	10	0		AGAERN
C/C=C(/C=C/C(=O)OCC(C)C)CC	767661718	698090850	/nfs/dbraw/zinc/09/08/50/698090850.db2.gz	HBGYKZRKYKGPME-VAZWZHNFSA-N	0	0	196.290	3.098	10	0		AGAERN
C/C=C(/C=C\C(=O)OCC(C)C)CC	767661715	698090915	/nfs/dbraw/zinc/09/09/15/698090915.db2.gz	HBGYKZRKYKGPME-LTCQKBRTSA-N	0	0	196.290	3.098	10	0		AGAERN
CCC[C@H](C)[C@H](C)OC(=O)C1(C)CC1	778744980	698094921	/nfs/dbraw/zinc/09/49/21/698094921.db2.gz	MAIBSRAMMKWPHK-UWVGGRQHSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC[C@@H](C)[C@H](C)OC(=O)C1(C)CC1	778744988	698095050	/nfs/dbraw/zinc/09/50/50/698095050.db2.gz	MAIBSRAMMKWPHK-ZJUUUORDSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC[C@@H](C)[C@@H](C)OC(=O)C1(C)CC1	778744979	698095082	/nfs/dbraw/zinc/09/50/82/698095082.db2.gz	MAIBSRAMMKWPHK-NXEZZACHSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC[C@H](C)[C@@H](C)OC(=O)C1(C)CC1	778744982	698095041	/nfs/dbraw/zinc/09/50/41/698095041.db2.gz	MAIBSRAMMKWPHK-VHSXEESVSA-N	0	0	198.306	3.154	10	0		AGAERN
CC[C@@H](C)OC(=O)CC1CC(C)(C)C1	796265322	698098104	/nfs/dbraw/zinc/09/81/04/698098104.db2.gz	BOKAPLXZVQAQFJ-SECBINFHSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)COC(=O)CC1CC(C)(C)C1	796267557	698098120	/nfs/dbraw/zinc/09/81/20/698098120.db2.gz	NZIVYYHEXTWOOH-UHFFFAOYSA-N	0	0	198.306	3.012	10	0		AGAERN
CCCCOC(=O)CC1CC(C)(C)C1	796283860	698098147	/nfs/dbraw/zinc/09/81/47/698098147.db2.gz	WSNDDRCKBDHNAD-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CC[C@H](C)OC(=O)CC1CC(C)(C)C1	796265330	698098156	/nfs/dbraw/zinc/09/81/56/698098156.db2.gz	BOKAPLXZVQAQFJ-VIFPVBQESA-N	0	0	198.306	3.154	10	0		AGAERN
CCC(=O)O[C@H](C)C1CCCCCC1	796847535	698098229	/nfs/dbraw/zinc/09/82/29/698098229.db2.gz	USYUIONJCWVVMD-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
CCC(CC)COC(=O)CC1CCC1	798892037	698098588	/nfs/dbraw/zinc/09/85/88/698098588.db2.gz	HDKABIHXOANDAA-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CC[C@@H](C)[C@H](C)C(=O)OC1CC(C)C1	813229879	698104999	/nfs/dbraw/zinc/10/49/99/698104999.db2.gz	DQOGFNYUFLXPME-WIFZPCQCSA-N	0	0	198.306	3.010	10	0		AGAERN
CC[C@H](C)[C@H](C)C(=O)OC1CC(C)C1	813229878	698105030	/nfs/dbraw/zinc/10/50/30/698105030.db2.gz	DQOGFNYUFLXPME-SEQHWMEXSA-N	0	0	198.306	3.010	10	0		AGAERN
CC1CC(OC(=O)CCC(C)(C)C)C1	813232172	698105034	/nfs/dbraw/zinc/10/50/34/698105034.db2.gz	NFZIJYPRDXGTEO-UHFFFAOYSA-N	0	0	198.306	3.154	10	0		AGAERN
CC[C@@H](C)[C@@H](C)C(=O)OC1CC(C)C1	813229880	698105080	/nfs/dbraw/zinc/10/50/80/698105080.db2.gz	DQOGFNYUFLXPME-WYNUPADASA-N	0	0	198.306	3.010	10	0		AGAERN
CC[C@H](C)[C@@H](C)C(=O)OC1CC(C)C1	813229877	698105087	/nfs/dbraw/zinc/10/50/87/698105087.db2.gz	DQOGFNYUFLXPME-LIZLNQBYSA-N	0	0	198.306	3.010	10	0		AGAERN
C[C@@H](SCc1ccco1)C1CC1	915588630	698169180	/nfs/dbraw/zinc/16/91/80/698169180.db2.gz	XOCJHNWBZQXVJP-MRVPVSSYSA-N	0	0	182.288	3.311	10	0		AGAERN
C[C@H](SCc1ccco1)C1CC1	915588631	698169290	/nfs/dbraw/zinc/16/92/90/698169290.db2.gz	XOCJHNWBZQXVJP-QMMMGPOBSA-N	0	0	182.288	3.311	10	0		AGAERN
CCC(CC)SCc1n[nH]cc1C	916836691	698169674	/nfs/dbraw/zinc/16/96/74/698169674.db2.gz	PGKRQOQAPUUFKH-UHFFFAOYSA-N	0	0	198.335	3.140	10	0		AGAERN
C[C@@H](Sc1ccccc1O)C1CC1	916835879	698169706	/nfs/dbraw/zinc/16/97/06/698169706.db2.gz	FWVQQSZONMONGC-MRVPVSSYSA-N	0	0	194.299	3.283	10	0		AGAERN
C/C=C/C=C/C(=O)OCCCC(C)C	918495247	698169718	/nfs/dbraw/zinc/16/97/18/698169718.db2.gz	CAFKWCSPJIRXCX-HSKKLARCSA-N	0	0	196.290	3.098	10	0		AGAERN
C/C=C/C=C\C(=O)OCCCC(C)C	918495287	698169724	/nfs/dbraw/zinc/16/97/24/698169724.db2.gz	CAFKWCSPJIRXCX-WEHQGULRSA-N	0	0	196.290	3.098	10	0		AGAERN
C[C@H](Sc1ccccc1O)C1CC1	916835886	698169734	/nfs/dbraw/zinc/16/97/34/698169734.db2.gz	FWVQQSZONMONGC-QMMMGPOBSA-N	0	0	194.299	3.283	10	0		AGAERN
CC[C@H]1[C@H](C)Cc2ccccc2N1C	5327750	132180926	/nfs/dbraw/zinc/18/09/26/132180926.db2.gz	JXLYORNRPYLZJB-PWSUYJOCSA-N	0	0	189.302	3.094	10	0		AGAERN
CCC[C@H]1Cc2ccccc2N(C)C1	5311160	132181109	/nfs/dbraw/zinc/18/11/09/132181109.db2.gz	GBKFBODYMVIFJR-NSHDSACASA-N	0	0	189.302	3.095	10	0		AGAERN
CC[C@H]1CCN(C)c2ccc(C)cc21	5327743	132181559	/nfs/dbraw/zinc/18/15/59/132181559.db2.gz	KSZZDZQJTSRWKO-NSHDSACASA-N	0	0	189.302	3.329	10	0		AGAERN
CC[C@@H]1CCN(C)c2ccc(C)cc21	5327704	132181655	/nfs/dbraw/zinc/18/16/55/132181655.db2.gz	KSZZDZQJTSRWKO-LLVKDONJSA-N	0	0	189.302	3.329	10	0		AGAERN
Clc1ccc(N2CCCCC2)cc1	34278796	132188091	/nfs/dbraw/zinc/18/80/91/132188091.db2.gz	JYQMAQVVIMGHIM-UHFFFAOYSA-N	0	0	195.693	3.330	10	0		AGAERN
Clc1ccccc1N1CCCCC1	39648209	132190305	/nfs/dbraw/zinc/19/03/05/132190305.db2.gz	IJYDPVBWJASHOC-UHFFFAOYSA-N	0	0	195.693	3.330	10	0		AGAERN
CCc1ccc(-c2cscn2)cc1	1520038	342946210	/nfs/dbraw/zinc/94/62/10/342946210.db2.gz	LIYDFZJCAVAOSY-UHFFFAOYSA-N	0	0	189.283	3.373	10	0		AGAERN
CC/C=C/c1ccc(OC)cc1	1621134	342952532	/nfs/dbraw/zinc/95/25/32/342952532.db2.gz	XDQBFRZHMLRPGN-SNAWJCMRSA-N	0	0	162.232	3.118	10	0		AGAERN
Oc1ccc(C2=CCCCC2)cc1	1845778	342964994	/nfs/dbraw/zinc/96/49/94/342964994.db2.gz	YGEZIEXHMBTZMT-UHFFFAOYSA-N	0	0	174.243	3.350	10	0		AGAERN
C[C@H]1CCc2c([nH]c3ccccc23)C1	1705995	342960640	/nfs/dbraw/zinc/96/06/40/342960640.db2.gz	VWYGNOPLZQAFPZ-VIFPVBQESA-N	0	0	185.270	3.293	10	0		AGAERN
CCCCC/C=C/CCC(=O)OC	2040378	342968570	/nfs/dbraw/zinc/96/85/70/342968570.db2.gz	CRHITZQXHNFRAZ-BQYQJAHWSA-N	0	0	184.279	3.076	10	0		AGAERN
CCCCCC[C@]1(C)OC[C@H](C)O1	1867022	342965562	/nfs/dbraw/zinc/96/55/62/342965562.db2.gz	JUESEMDRRNKFPQ-WDEREUQCSA-N	0	0	186.295	3.108	10	0		AGAERN
Cc1cc2cc(Cl)ccc2o1	2006444	342966202	/nfs/dbraw/zinc/96/62/02/342966202.db2.gz	UDTLANWPHSQSCO-UHFFFAOYSA-N	0	0	166.607	3.395	10	0		AGAERN
CC(C)=C1[C@H]2CCCC[C@@H]12	2004656	342966221	/nfs/dbraw/zinc/96/62/21/342966221.db2.gz	UPWUDJZKOSQIRQ-DTORHVGOSA-N	0	0	136.238	3.143	10	0		AGAERN
Cc1cc(C)c2c(c1)[C@H](O)CC[C@H]2C	2010673	342966471	/nfs/dbraw/zinc/96/64/71/342966471.db2.gz	QYUOLMFNLBRSKY-BXKDBHETSA-N	0	0	190.286	3.234	10	0		AGAERN
CC1=CCc2c(C)ccc(C)c2C1	2011235	342966497	/nfs/dbraw/zinc/96/64/97/342966497.db2.gz	IHKOCLLCECPECA-UHFFFAOYSA-N	0	0	172.271	3.348	10	0		AGAERN
Cc1ccc(C2SCCS2)cc1	2015296	342966863	/nfs/dbraw/zinc/96/68/63/342966863.db2.gz	VKEBWCZVWZDPKV-UHFFFAOYSA-N	0	0	196.340	3.474	10	0		AGAERN
CCCCC/C=C/Br	2017505	342966896	/nfs/dbraw/zinc/96/68/96/342966896.db2.gz	XNCAEAZUROUZKT-VOTSOKGWSA-N	0	0	177.085	3.475	10	0		AGAERN
C[C@H]1CCCCN1c1ccccc1	5159276	342999256	/nfs/dbraw/zinc/99/92/56/342999256.db2.gz	BBNBOKJANATNAE-NSHDSACASA-N	0	0	175.275	3.065	10	0		AGAERN
CCCC/C=C/C(OCC)OCC	5509886	343004313	/nfs/dbraw/zinc/00/43/13/343004313.db2.gz	KRGSSSXWOINHKZ-MDZDMXLPSA-N	0	0	186.295	3.132	10	0		AGAERN
CCCCCOCc1ccccc1	5512896	343004316	/nfs/dbraw/zinc/00/43/16/343004316.db2.gz	RSDLTJVQMXAXCA-UHFFFAOYSA-N	0	0	178.275	3.393	10	0		AGAERN
CCS/C=C\c1ccccc1	5714420	343006702	/nfs/dbraw/zinc/00/67/02/343006702.db2.gz	KMBNERGBMXMGRI-HJWRWDBZSA-N	0	0	164.273	3.410	10	0		AGAERN
Cc1cc2c(cc1C)C(=O)CCCC2	5699705	343006708	/nfs/dbraw/zinc/00/67/08/343006708.db2.gz	XJBHFHGGRYANDX-UHFFFAOYSA-N	0	0	188.270	3.213	10	0		AGAERN
CCc1ccc(C(C)(C)C)c(O)c1	5688577	343006723	/nfs/dbraw/zinc/00/67/23/343006723.db2.gz	NIKKCIWANYCKDL-UHFFFAOYSA-N	0	0	178.275	3.252	10	0		AGAERN
CCCC[C@H]1O[C@H](C)CC(C)(C)O1	5822252	343008959	/nfs/dbraw/zinc/00/89/59/343008959.db2.gz	QUBNQDBPPTZYJL-ZJUUUORDSA-N	0	0	186.295	3.107	10	0		AGAERN
CCC[C@@H](OC(C)=O)C1CCCCC1	5841610	343009192	/nfs/dbraw/zinc/00/91/92/343009192.db2.gz	VEDJYUOPZNJAGT-GFCCVEGCSA-N	0	0	198.306	3.299	10	0		AGAERN
CCC[C@H](OC(C)=O)C1CCCCC1	5838205	343009195	/nfs/dbraw/zinc/00/91/95/343009195.db2.gz	VEDJYUOPZNJAGT-LBPRGKRZSA-N	0	0	198.306	3.299	10	0		AGAERN
CC(C)=C(C)CC[C@H](C)CCO	6020461	343011146	/nfs/dbraw/zinc/01/11/46/343011146.db2.gz	GRAHDMHJZMMOHO-JTQLQIEISA-N	0	0	170.296	3.141	10	0		AGAERN
CC1=C[C@@H](c2ccccc2)O[C@H](C)C1	6030632	343011560	/nfs/dbraw/zinc/01/15/60/343011560.db2.gz	KJAJQPSBQHSPCZ-YPMHNXCESA-N	0	0	188.270	3.483	10	0		AGAERN
CC(C)=C(C)CC[C@@H](C)CCO	6036192	343011571	/nfs/dbraw/zinc/01/15/71/343011571.db2.gz	GRAHDMHJZMMOHO-SNVBAGLBSA-N	0	0	170.296	3.141	10	0		AGAERN
CCOC(=O)c1csc(C(C)C)c1	6047540	343011979	/nfs/dbraw/zinc/01/19/79/343011979.db2.gz	DBIFISUCFBSPKS-UHFFFAOYSA-N	0	0	198.287	3.048	10	0		AGAERN
Cc1cccc(-c2cccnc2)c1	6755853	343016440	/nfs/dbraw/zinc/01/64/40/343016440.db2.gz	LONDBHTYIYKOCM-UHFFFAOYSA-N	0	0	169.227	3.057	10	0		AGAERN
Cc1cc(C(=O)C(C)(C)C)ccc1F	11631540	343023532	/nfs/dbraw/zinc/02/35/32/343023532.db2.gz	FGJZFSVSFIHFQN-UHFFFAOYSA-N	0	0	194.249	3.363	10	0		AGAERN
CCc1ccc2c(c1)C[C@@H](CC)CN2	11633266	343024053	/nfs/dbraw/zinc/02/40/53/343024053.db2.gz	RFMYILMLPKFVHR-LLVKDONJSA-N	0	0	189.302	3.243	10	0		AGAERN
Cc1cccc(-c2ccncc2)c1	13235427	343033786	/nfs/dbraw/zinc/03/37/86/343033786.db2.gz	IWRUAXOGIJVROI-UHFFFAOYSA-N	0	0	169.227	3.057	10	0		AGAERN
CCCCCc1nc(C)cs1	13437575	343034754	/nfs/dbraw/zinc/03/47/54/343034754.db2.gz	FLCKZQLXJGGADB-UHFFFAOYSA-N	0	0	169.293	3.184	10	0	endogenous,in-man	AGAERN
CCOC(=O)CCCC[C@H](C)CC	14592599	343039537	/nfs/dbraw/zinc/03/95/37/343039537.db2.gz	FTTIYXHYLISDKF-SNVBAGLBSA-N	0	0	186.295	3.156	10	0		AGAERN
CCC[C@@H](C)C[C@H](C)C[C@@H](C)CO	14822682	343040285	/nfs/dbraw/zinc/04/02/85/343040285.db2.gz	KBNJXYZUBZXXHR-GRYCIOLGSA-N	0	0	186.339	3.467	10	0		AGAERN
CCC[C@@H](C)C[C@@H](C)C[C@@H](C)CO	14822678	343040293	/nfs/dbraw/zinc/04/02/93/343040293.db2.gz	KBNJXYZUBZXXHR-IJLUTSLNSA-N	0	0	186.339	3.467	10	0		AGAERN
Cc1ccc2c(c1)C(=O)CC[C@H]2C	14823206	343040309	/nfs/dbraw/zinc/04/03/09/343040309.db2.gz	SQESYXTWWGWCFK-SECBINFHSA-N	0	0	174.243	3.075	10	0	endogenous,in-man	AGAERN
CC/C=C\c1ccc(OC)cc1	17328710	343046479	/nfs/dbraw/zinc/04/64/79/343046479.db2.gz	XDQBFRZHMLRPGN-PLNGDYQASA-N	0	0	162.232	3.118	10	0		AGAERN
C=C/C=C(\C)CC[C@H]1OC1(C)C	15120241	343041330	/nfs/dbraw/zinc/04/13/30/343041330.db2.gz	DOLAGBYJHIWHJT-OLKPEBQYSA-N	0	0	166.264	3.076	10	0		AGAERN
CCCC/C=C/C=C\CCCCO	15146076	343041787	/nfs/dbraw/zinc/04/17/87/343041787.db2.gz	JUDKGQZMLJXRJX-MDAAKZFYSA-N	0	0	182.307	3.452	10	0	in-vitro	AGAERN
CCCCCC[C@@H](C)C(C)=O	20232072	343069981	/nfs/dbraw/zinc/06/99/81/343069981.db2.gz	BMLJPODSPMQJKF-SECBINFHSA-N	0	0	156.269	3.182	10	0		AGAERN
Cc1ccc(N)c(-c2cccs2)c1	21950786	343075955	/nfs/dbraw/zinc/07/59/55/343075955.db2.gz	NINBBCCEJULTLN-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
O=C1c2cccc3cccc(c23)C1O	31976880	343094901	/nfs/dbraw/zinc/09/49/01/343094901.db2.gz	NSBCFWWGIUOFIF-UHFFFAOYSA-N	0	0	184.194	3.095	10	0		AGAERN
Cc1ncccc1Oc1ccccc1	27101867	343090668	/nfs/dbraw/zinc/09/06/68/343090668.db2.gz	SHYZVEGDXDJRCL-UHFFFAOYSA-N	0	0	185.226	3.182	10	0		AGAERN
CCCC(=O)Oc1cc(C)cc(C)c1	32180004	343099756	/nfs/dbraw/zinc/09/97/56/343099756.db2.gz	ARQBYJXHHMRZOF-UHFFFAOYSA-N	0	0	192.258	3.009	10	0		AGAERN
C[C@@H](CCCN1CC1)C1CCCCC1	32184043	343100193	/nfs/dbraw/zinc/10/01/93/343100193.db2.gz	IFBYFECMTBAGFD-LBPRGKRZSA-N	0	0	195.350	3.299	10	0		AGAERN
CC(C)Oc1ccc2ccccc2n1	32188786	343100237	/nfs/dbraw/zinc/10/02/37/343100237.db2.gz	MUVDRQRFWBJETA-UHFFFAOYSA-N	0	0	187.242	3.022	10	0		AGAERN
C1=C(c2ccco2)CCCC1	32189577	343100244	/nfs/dbraw/zinc/10/02/44/343100244.db2.gz	GLAFVEZZBRQBJV-UHFFFAOYSA-N	0	0	148.205	3.237	10	0		AGAERN
CCCCc1ccc(OC)c(OC)c1	32191244	343100647	/nfs/dbraw/zinc/10/06/47/343100647.db2.gz	VJPNFMCNTKHVTR-UHFFFAOYSA-N	0	0	194.274	3.046	10	0		AGAERN
CC[C@]1(C)C(C)=Nc2ccccc21	32197469	343100663	/nfs/dbraw/zinc/10/06/63/343100663.db2.gz	LVCJOTSREMDVNB-GFCCVEGCSA-N	0	0	173.259	3.460	10	0		AGAERN
Cc1cc2c(cc1C)[C@@H](C)CCC2=O	32212303	343101035	/nfs/dbraw/zinc/10/10/35/343101035.db2.gz	GFZCUMHUNSPIFJ-QMMMGPOBSA-N	0	0	188.270	3.383	10	0		AGAERN
CCCSC1CCCCC1	32226650	343101745	/nfs/dbraw/zinc/10/17/45/343101745.db2.gz	GRTPNKMNAOQMOK-UHFFFAOYSA-N	0	0	158.310	3.462	10	0		AGAERN
CCCCC(=O)Oc1ccccc1C	32134448	343097742	/nfs/dbraw/zinc/09/77/42/343097742.db2.gz	DSEPMWIROFYJKX-UHFFFAOYSA-N	0	0	192.258	3.091	10	0		AGAERN
CN1C[C@H]2CCC[C@@H]2c2ccccc21	33935291	343107606	/nfs/dbraw/zinc/10/76/06/343107606.db2.gz	QRCGFNIMQFGZRW-MNOVXSKESA-N	0	0	187.286	3.020	10	0		AGAERN
CCc1ccc2sccc2c1	33950298	343108072	/nfs/dbraw/zinc/10/80/72/343108072.db2.gz	XXKJPQUVYBHFBU-UHFFFAOYSA-N	0	0	162.257	3.464	10	0		AGAERN
CCCCC/C=C/[C@H](C)CCO	33950846	343108108	/nfs/dbraw/zinc/10/81/08/343108108.db2.gz	JDCKKTBNCHNHRR-AEZGRPFRSA-N	0	0	170.296	3.141	10	0	endogenous,in-man	AGAERN
CCCCC/C=C/[C@@H](C)CCO	33950845	343108115	/nfs/dbraw/zinc/10/81/15/343108115.db2.gz	JDCKKTBNCHNHRR-WSKFYRRCSA-N	0	0	170.296	3.141	10	0	endogenous,in-man	AGAERN
CC[C@](C)(CCC=C(C)C)OC(C)=O	33986181	343108657	/nfs/dbraw/zinc/10/86/57/343108657.db2.gz	WLAIKFKCSAXVJL-GFCCVEGCSA-N	0	0	198.306	3.465	10	0		AGAERN
CC[C@@](C)(CCC=C(C)C)OC(C)=O	33986180	343108675	/nfs/dbraw/zinc/10/86/75/343108675.db2.gz	WLAIKFKCSAXVJL-LBPRGKRZSA-N	0	0	198.306	3.465	10	0		AGAERN
CCCC/C(C)=C\CC(=O)OCC	33986048	343108679	/nfs/dbraw/zinc/10/86/79/343108679.db2.gz	XHNOQRNNBVTOCM-NTMALXAHSA-N	0	0	184.279	3.076	10	0		AGAERN
Cc1ccc(C(C)C)c(Cl)c1O	33605830	343105571	/nfs/dbraw/zinc/10/55/71/343105571.db2.gz	COJGWGSVTCWAGQ-UHFFFAOYSA-N	0	0	184.666	3.477	10	0		AGAERN
CCCCC/C=C(\CC)[N+](=O)[O-]	34098137	343110331	/nfs/dbraw/zinc/11/03/31/343110331.db2.gz	WAQZHLYULBNSME-CMDGGOBGSA-N	0	0	171.240	3.137	10	0		AGAERN
Cc1ccc(S[C@@H]2CCCO2)cc1	34116038	343111348	/nfs/dbraw/zinc/11/13/48/343111348.db2.gz	JHUKLJFUQZIFOC-LLVKDONJSA-N	0	0	194.299	3.224	10	0		AGAERN
Cc1ccc(S[C@H]2CCCO2)cc1	34116039	343111378	/nfs/dbraw/zinc/11/13/78/343111378.db2.gz	JHUKLJFUQZIFOC-NSHDSACASA-N	0	0	194.299	3.224	10	0		AGAERN
Cc1cc(-c2ccc(Cl)cc2)on1	34180153	343112756	/nfs/dbraw/zinc/11/27/56/343112756.db2.gz	RHWRHGZPEXZURY-UHFFFAOYSA-N	0	0	193.633	3.303	10	0		AGAERN
Cc1ccc2c(c1)C=CC(C)(C)N2	34070909	343109265	/nfs/dbraw/zinc/10/92/65/343109265.db2.gz	JHAHAPJQUNPLBI-UHFFFAOYSA-N	0	0	173.259	3.212	10	0		AGAERN
CC[C@H](C)c1cccnc1Cl	34330349	343116762	/nfs/dbraw/zinc/11/67/62/343116762.db2.gz	HWUSASWUWZVTHZ-ZETCQYMHSA-N	0	0	169.655	3.249	10	0		AGAERN
CC1CCC(O)(c2cccs2)CC1	34335764	343116860	/nfs/dbraw/zinc/11/68/60/343116860.db2.gz	AXQWDTGDEYKIGE-UHFFFAOYSA-N	0	0	196.315	3.146	10	0		AGAERN
C[C@]12CCCC1=Nc1ccccc12	34354522	343117197	/nfs/dbraw/zinc/11/71/97/343117197.db2.gz	HTOFKNNUHAYYRP-GFCCVEGCSA-N	0	0	171.243	3.214	10	0		AGAERN
Cc1cc2c(C)ccc(Cl)c2[nH]1	34413901	343118950	/nfs/dbraw/zinc/11/89/50/343118950.db2.gz	GDKNCKXIPDXMJL-UHFFFAOYSA-N	0	0	179.650	3.438	10	0		AGAERN
CC(C)=CCC/C(C)=C/CCO	34268676	343115402	/nfs/dbraw/zinc/11/54/02/343115402.db2.gz	DFZMKOVWHYSLQF-DHZHZOJOSA-N	0	0	168.280	3.062	10	0	biogenic,in-vitro	AGAERN
CCC/C=C/[C@H](CCC)OC(C)=O	34562410	343121760	/nfs/dbraw/zinc/12/17/60/343121760.db2.gz	XKRKDJQTEWQBCY-DJYGCBNOSA-N	0	0	184.279	3.075	10	0		AGAERN
CCC/C=C/[C@@H](CCC)OC(C)=O	34562409	343121887	/nfs/dbraw/zinc/12/18/87/343121887.db2.gz	XKRKDJQTEWQBCY-MXMFLMJRSA-N	0	0	184.279	3.075	10	0		AGAERN
CC[C@H](C)C[C@@H](C)C[C@H](C)CO	34567427	343122218	/nfs/dbraw/zinc/12/22/18/343122218.db2.gz	KSAQCJQZQISASG-AXFHLTTASA-N	0	0	172.312	3.077	10	0		AGAERN
Oc1cccc(C2=CCCCC2)c1	34567531	343122221	/nfs/dbraw/zinc/12/22/21/343122221.db2.gz	ZRGZHQAMYIUEBB-UHFFFAOYSA-N	0	0	174.243	3.350	10	0		AGAERN
Cc1ncsc1C(=O)CCC(C)C	34585836	343122389	/nfs/dbraw/zinc/12/23/89/343122389.db2.gz	MYLAMSDVDCQKEM-UHFFFAOYSA-N	0	0	197.303	3.070	10	0		AGAERN
COCCc1cccc2ccccc12	34615818	343123369	/nfs/dbraw/zinc/12/33/69/343123369.db2.gz	XZYRORPHKKTRJT-UHFFFAOYSA-N	0	0	186.254	3.029	10	0		AGAERN
CCCCSCc1ccco1	34627503	343124077	/nfs/dbraw/zinc/12/40/77/343124077.db2.gz	FGLFJUIYPHJXJS-UHFFFAOYSA-N	0	0	170.277	3.313	10	0		AGAERN
CCc1ccc2ccccc2c1C=O	34728834	343124460	/nfs/dbraw/zinc/12/44/60/343124460.db2.gz	HQQPRGFWHWKRSG-UHFFFAOYSA-N	0	0	184.238	3.215	10	0		AGAERN
Cc1c(Cl)cc(O)cc1Cl	34753391	343124822	/nfs/dbraw/zinc/12/48/22/343124822.db2.gz	VVHKBMKBOORWSQ-UHFFFAOYSA-N	0	0	177.030	3.007	10	0		AGAERN
Cc1c[nH]c(-c2ccccc2)c1C	34514579	343120649	/nfs/dbraw/zinc/12/06/49/343120649.db2.gz	WUMHGMDXNUCQMS-UHFFFAOYSA-N	0	0	171.243	3.299	10	0		AGAERN
CC(C)OC/C=C/c1ccccc1	34540598	343121461	/nfs/dbraw/zinc/12/14/61/343121461.db2.gz	BNFGCJCSBBKXPP-RMKNXTFCSA-N	0	0	176.259	3.125	10	0		AGAERN
CCC(C)(C)Nc1ccc(F)cc1N	34964366	343126790	/nfs/dbraw/zinc/12/67/90/343126790.db2.gz	OTAJVJRLQZDLIW-UHFFFAOYSA-N	0	0	196.269	3.008	10	0		AGAERN
Cc1cc(N[C@@H](C)C(C)C)ccc1N	35277851	343131202	/nfs/dbraw/zinc/13/12/02/343131202.db2.gz	FOLQIAOQKRPIBD-JTQLQIEISA-N	0	0	192.306	3.034	10	0		AGAERN
Cc1ccc(C)c([C@@H](O)C2CCC2)c1	36156589	343140678	/nfs/dbraw/zinc/14/06/78/343140678.db2.gz	SPHJHMWTIIOLID-ZDUSSCGKSA-N	0	0	190.286	3.137	10	0		AGAERN
C[C@H]1C(=O)CC[C@@H]1C1CCCCC1	36466629	343146353	/nfs/dbraw/zinc/14/63/53/343146353.db2.gz	JHUVBWOQNFOVPL-KOLCDFICSA-N	0	0	180.291	3.182	10	0		AGAERN
CCCCC(=O)CCc1ccccc1	36466808	343146381	/nfs/dbraw/zinc/14/63/81/343146381.db2.gz	ZGTHHNNORWULAE-UHFFFAOYSA-N	0	0	190.286	3.379	10	0		AGAERN
Cc1cc(N)cc(-c2ccccc2)c1	36459140	343146392	/nfs/dbraw/zinc/14/63/92/343146392.db2.gz	YEPQNLODEYARKJ-UHFFFAOYSA-N	0	0	183.254	3.244	10	0		AGAERN
COc1ccc(/C=C\C(C)C)cc1	36466567	343146407	/nfs/dbraw/zinc/14/64/07/343146407.db2.gz	FWZMAJUTNQOIEX-PLNGDYQASA-N	0	0	176.259	3.364	10	0		AGAERN
Cc1ccc(SCC2CC2)c(N)c1	36765434	343149714	/nfs/dbraw/zinc/14/97/14/343149714.db2.gz	GUTGDCKHONSPFO-UHFFFAOYSA-N	0	0	193.315	3.079	10	0		AGAERN
CCC(CC)C(=O)c1cccs1	36942542	343155430	/nfs/dbraw/zinc/15/54/30/343155430.db2.gz	ULSUAJCLFDTVOT-UHFFFAOYSA-N	0	0	182.288	3.367	10	0		AGAERN
Cc1cccc2[nH]cc(C(=O)C3CC3)c12	36947481	343155814	/nfs/dbraw/zinc/15/58/14/343155814.db2.gz	FSJNZKKKXCZGHB-UHFFFAOYSA-N	0	0	199.253	3.069	10	0		AGAERN
CC[C@H](Nc1cccc(O)c1)C(C)C	37237944	343163102	/nfs/dbraw/zinc/16/31/02/343163102.db2.gz	QIPLQJQBKLICML-LBPRGKRZSA-N	0	0	193.290	3.239	10	0		AGAERN
CC(C)[C@@](C)(O)c1ccccc1Cl	37379753	343166783	/nfs/dbraw/zinc/16/67/83/343166783.db2.gz	YBMFMYMRLVDUKU-LLVKDONJSA-N	0	0	198.693	3.204	10	0		AGAERN
Cc1ccc([C@@](C)(O)CC(C)C)cc1	37379240	343166786	/nfs/dbraw/zinc/16/67/86/343166786.db2.gz	SHAFUFOABWEYRE-ZDUSSCGKSA-N	0	0	192.302	3.249	10	0		AGAERN
CCC(O)(CC)C1CCCCC1	37380334	343166795	/nfs/dbraw/zinc/16/67/95/343166795.db2.gz	CJXIUXXPIYXGCT-UHFFFAOYSA-N	0	0	170.296	3.118	10	0		AGAERN
CC(C)[C@](C)(O)c1ccccc1Cl	37379750	343166796	/nfs/dbraw/zinc/16/67/96/343166796.db2.gz	YBMFMYMRLVDUKU-NSHDSACASA-N	0	0	198.693	3.204	10	0		AGAERN
CC[C@H](C)[C@](C)(O)c1ccccc1C	37745651	343177608	/nfs/dbraw/zinc/17/76/08/343177608.db2.gz	MJVYOHFXCUKCRO-AAEUAGOBSA-N	0	0	192.302	3.249	10	0		AGAERN
CC[C@H](C)[C@@](C)(O)c1ccccc1C	37745653	343177629	/nfs/dbraw/zinc/17/76/29/343177629.db2.gz	MJVYOHFXCUKCRO-WCQYABFASA-N	0	0	192.302	3.249	10	0		AGAERN
CC(C)c1ccc(NCC(F)F)cc1	37755743	343178110	/nfs/dbraw/zinc/17/81/10/343178110.db2.gz	HANCURAIJRZOGI-UHFFFAOYSA-N	0	0	199.244	3.487	10	0		AGAERN
CCC(=O)Cc1ccc2ccccc2c1	38125213	343185262	/nfs/dbraw/zinc/18/52/62/343185262.db2.gz	OVKFMZHGCQMDPF-UHFFFAOYSA-N	0	0	198.265	3.361	10	0		AGAERN
CCC(=O)[C@H](C)c1ccccc1Cl	38301888	343186983	/nfs/dbraw/zinc/18/69/83/343186983.db2.gz	IWIWHAGKRZFFTO-MRVPVSSYSA-N	0	0	196.677	3.423	10	0		AGAERN
Fc1ccc(N[C@@H]2C=CCCC2)cc1	38312675	343186990	/nfs/dbraw/zinc/18/69/90/343186990.db2.gz	GMTLHJMLHKWTQQ-LLVKDONJSA-N	0	0	191.249	3.346	10	0		AGAERN
COc1ccc(/C=C/C(C)C)cc1	38324984	343186991	/nfs/dbraw/zinc/18/69/91/343186991.db2.gz	FWZMAJUTNQOIEX-SNAWJCMRSA-N	0	0	176.259	3.364	10	0		AGAERN
CC1(C)C[C@H]1CNc1ccccc1	38299456	343186996	/nfs/dbraw/zinc/18/69/96/343186996.db2.gz	NCMZSIXSDMXREG-JTQLQIEISA-N	0	0	175.275	3.145	10	0		AGAERN
CCc1c(C)[nH]c2ccc(C)cc12	38350410	343187794	/nfs/dbraw/zinc/18/77/94/343187794.db2.gz	BVVQWKGUNKAQMX-UHFFFAOYSA-N	0	0	173.259	3.347	10	0		AGAERN
C/C=C/[C@H](C)OCc1ccccc1	38234441	343186082	/nfs/dbraw/zinc/18/60/82/343186082.db2.gz	QLKGEPOQQAEIBN-KTROKBFUSA-N	0	0	176.259	3.168	10	0		AGAERN
Cc1scnc1C(=O)CCC(C)C	38271551	343186495	/nfs/dbraw/zinc/18/64/95/343186495.db2.gz	LOAMSMTXQFHRIP-UHFFFAOYSA-N	0	0	197.303	3.070	10	0		AGAERN
CC(C)c1cncc(C(C)C)c1	38282240	343186519	/nfs/dbraw/zinc/18/65/19/343186519.db2.gz	ORCCCTYBDUJYQP-UHFFFAOYSA-N	0	0	163.264	3.328	10	0		AGAERN
Fc1ccc(N[C@H]2C=CCCC2)cc1	38312674	343186896	/nfs/dbraw/zinc/18/68/96/343186896.db2.gz	GMTLHJMLHKWTQQ-NSHDSACASA-N	0	0	191.249	3.346	10	0		AGAERN
C=C(C)/C=C/c1ccc(OC)cc1	38882193	343191500	/nfs/dbraw/zinc/19/15/00/343191500.db2.gz	MMJXVQYJSODRLX-SNAWJCMRSA-N	0	0	174.243	3.285	10	0		AGAERN
CN(c1ccccc1)C1CCCC1	38881943	343191537	/nfs/dbraw/zinc/19/15/37/343191537.db2.gz	ZPWSDUMJLDOMDQ-UHFFFAOYSA-N	0	0	175.275	3.065	10	0		AGAERN
Fc1ccc(-c2cscn2)cc1F	38996885	343193113	/nfs/dbraw/zinc/19/31/13/343193113.db2.gz	ZEEKICPFSVLDKA-UHFFFAOYSA-N	0	0	197.209	3.088	10	0		AGAERN
CCc1cc(C)nc(C(C)C)c1	39103880	343199027	/nfs/dbraw/zinc/19/90/27/343199027.db2.gz	MVJFLTPYKMAKPG-UHFFFAOYSA-N	0	0	163.264	3.076	10	0		AGAERN
Cc1cc(C)c(O)c(C(C)C)c1	39103938	343199029	/nfs/dbraw/zinc/19/90/29/343199029.db2.gz	OYVVLQHYLBQLEI-UHFFFAOYSA-N	0	0	164.248	3.132	10	0		AGAERN
CCc1ccc(C(C)C)cc1O	39103965	343199037	/nfs/dbraw/zinc/19/90/37/343199037.db2.gz	NTPXZONRQTVIEQ-UHFFFAOYSA-N	0	0	164.248	3.078	10	0		AGAERN
Cc1cn(C(C)C)c(=S)s1	39104687	343199288	/nfs/dbraw/zinc/19/92/88/343199288.db2.gz	LNWPTWLPSONTBP-UHFFFAOYSA-N	0	0	173.306	3.168	10	0		AGAERN
CC(C)[C@H]1CCCc2cccnc21	39104859	343199319	/nfs/dbraw/zinc/19/93/19/343199319.db2.gz	QSIQJZBBKBXYFR-LLVKDONJSA-N	0	0	175.275	3.158	10	0		AGAERN
Cc1nc2cccc(C(C)C)c2o1	39104881	343199349	/nfs/dbraw/zinc/19/93/49/343199349.db2.gz	RQZKJJKXOPPQHY-UHFFFAOYSA-N	0	0	175.231	3.260	10	0		AGAERN
COc1ccc2[nH]c(C3CC3)cc2c1	39117013	343201971	/nfs/dbraw/zinc/20/19/71/343201971.db2.gz	FJHOHQVLBLDXKV-UHFFFAOYSA-N	0	0	187.242	3.054	10	0		AGAERN
CC[C@H](C)c1cccc(C)c1N	39136148	343204075	/nfs/dbraw/zinc/20/40/75/343204075.db2.gz	DQPHQOPKRDEODQ-QMMMGPOBSA-N	0	0	163.264	3.091	10	0		AGAERN
CCc1cc2ccc(C)cc2o1	39136359	343204250	/nfs/dbraw/zinc/20/42/50/343204250.db2.gz	LLMBHGICSPLFTI-UHFFFAOYSA-N	0	0	160.216	3.304	10	0		AGAERN
Cc1ccnc(-c2ccccc2)c1C	39203210	343205857	/nfs/dbraw/zinc/20/58/57/343205857.db2.gz	MCIPELGMHYHVBA-UHFFFAOYSA-N	0	0	183.254	3.365	10	0		AGAERN
CCC[C@H](CO)c1ccc(Cl)cc1	39209863	343206067	/nfs/dbraw/zinc/20/60/67/343206067.db2.gz	ZAHBHLDTTAVFKK-SNVBAGLBSA-N	0	0	198.693	3.216	10	0		AGAERN
CCCC[C@H](CO)c1ccc(F)cc1	39209857	343206074	/nfs/dbraw/zinc/20/60/74/343206074.db2.gz	HNVKQCSMRSQWJI-LLVKDONJSA-N	0	0	196.265	3.092	10	0		AGAERN
CCc1cccc2c(O)cccc12	39208736	343206076	/nfs/dbraw/zinc/20/60/76/343206076.db2.gz	QWAWNXODWGJFPU-UHFFFAOYSA-N	0	0	172.227	3.108	10	0		AGAERN
S=c1ccccn1-c1ccccc1	39205970	343206103	/nfs/dbraw/zinc/20/61/03/343206103.db2.gz	IZGUADIDLWDNIB-UHFFFAOYSA-N	0	0	187.267	3.207	10	0		AGAERN
CCC[C@@H](CO)c1ccc(Cl)cc1	39209862	343206132	/nfs/dbraw/zinc/20/61/32/343206132.db2.gz	ZAHBHLDTTAVFKK-JTQLQIEISA-N	0	0	198.693	3.216	10	0		AGAERN
c1cc2cc3c(cc2s1)CCC3	39207676	343206135	/nfs/dbraw/zinc/20/61/35/343206135.db2.gz	RLPBEEOPVXDOEA-UHFFFAOYSA-N	0	0	174.268	3.390	10	0		AGAERN
CCCC[C@@H](CO)c1ccc(F)cc1	39209856	343206163	/nfs/dbraw/zinc/20/61/63/343206163.db2.gz	HNVKQCSMRSQWJI-NSHDSACASA-N	0	0	196.265	3.092	10	0		AGAERN
Cc1ccc(Nc2ccccc2)cn1	39213871	343206449	/nfs/dbraw/zinc/20/64/49/343206449.db2.gz	OXZPWQVOSPAABV-UHFFFAOYSA-N	0	0	184.242	3.134	10	0		AGAERN
O=Cc1ccc2c(c1)-c1ccccc1-2	39216034	343206516	/nfs/dbraw/zinc/20/65/16/343206516.db2.gz	LSEXVROQFRYFBA-UHFFFAOYSA-N	0	0	180.206	3.147	10	0		AGAERN
CC(C)Cc1c[nH]c2ccccc12	39212793	343206547	/nfs/dbraw/zinc/20/65/47/343206547.db2.gz	XOJAIDZTJPEQEG-UHFFFAOYSA-N	0	0	173.259	3.366	10	0		AGAERN
CC(C)=CC[C@H]1CCCCC1=O	39259420	343209152	/nfs/dbraw/zinc/20/91/52/343209152.db2.gz	MBKWJMJOTHMJIC-SNVBAGLBSA-N	0	0	166.264	3.102	10	0		AGAERN
C/C=C/c1cc2ccccc2[nH]1	39271537	343209345	/nfs/dbraw/zinc/20/93/45/343209345.db2.gz	BVGYXSLCROCPNL-GORDUTHDSA-N	0	0	157.216	3.201	10	0		AGAERN
CC(C)c1cc2ccccc2cn1	39433742	343212678	/nfs/dbraw/zinc/21/26/78/343212678.db2.gz	IPBVIAHEKNMUHP-UHFFFAOYSA-N	0	0	171.243	3.358	10	0		AGAERN
C[C@H](O)c1cc(Cl)sc1Cl	40260859	343216059	/nfs/dbraw/zinc/21/60/59/343216059.db2.gz	XSIZWBGQPYACNW-VKHMYHEASA-N	0	0	197.086	3.108	10	0		AGAERN
CC[C@@H](O)c1csc2ccccc12	40258500	343216127	/nfs/dbraw/zinc/21/61/27/343216127.db2.gz	HJBKHVLVZXODMI-SNVBAGLBSA-N	0	0	192.283	3.345	10	0		AGAERN
Cc1ccc([C@H](O)CC(C)(C)C)cc1	40244291	343216136	/nfs/dbraw/zinc/21/61/36/343216136.db2.gz	YWHQLSDFYMCIPY-GFCCVEGCSA-N	0	0	192.302	3.465	10	0		AGAERN
Cc1ccc([C@@H](O)CC(C)C)s1	40242139	343216287	/nfs/dbraw/zinc/21/62/87/343216287.db2.gz	UGSFMMDBWJOCCB-VIFPVBQESA-N	0	0	184.304	3.136	10	0		AGAERN
CCc1ccc([C@@H](O)C(C)(C)C)s1	40451653	343218620	/nfs/dbraw/zinc/21/86/20/343218620.db2.gz	XGJGVQHGPIHNIP-SNVBAGLBSA-N	0	0	198.331	3.390	10	0		AGAERN
Cc1cc(-c2cccc(N)c2)c(C)o1	41048905	343227240	/nfs/dbraw/zinc/22/72/40/343227240.db2.gz	XIFVLPNOGCUGDO-UHFFFAOYSA-N	0	0	187.242	3.146	10	0		AGAERN
Cc1ccc(-c2ccc(N)cc2)s1	41048969	343227321	/nfs/dbraw/zinc/22/73/21/343227321.db2.gz	BRZLKHPDSQJOBP-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
C[C@H](OC(C)(C)C)c1ccc(N)cc1	40909160	343224386	/nfs/dbraw/zinc/22/43/86/343224386.db2.gz	ABNSBZSKZQBSBG-VIFPVBQESA-N	0	0	193.290	3.145	10	0		AGAERN
CC(C)SCc1cccc(F)c1	41363994	343233617	/nfs/dbraw/zinc/23/36/17/343233617.db2.gz	BDCCJWNPOAJLQJ-UHFFFAOYSA-N	0	0	184.279	3.467	10	0		AGAERN
CCSCc1cccc(C)c1	41363863	343233687	/nfs/dbraw/zinc/23/36/87/343233687.db2.gz	HVZXUPYZEZXRLW-UHFFFAOYSA-N	0	0	166.289	3.248	10	0		AGAERN
CC(C)SCc1ccc(F)cc1	41363981	343233698	/nfs/dbraw/zinc/23/36/98/343233698.db2.gz	HRZZSIONTIIHLZ-UHFFFAOYSA-N	0	0	184.279	3.467	10	0		AGAERN
CCCSCc1ccc(F)cc1	41364098	343234120	/nfs/dbraw/zinc/23/41/20/343234120.db2.gz	CJXBFSQYIPXPTJ-UHFFFAOYSA-N	0	0	184.279	3.469	10	0		AGAERN
Cc1c[nH]c(-c2cccc(Cl)c2)n1	41206118	343232724	/nfs/dbraw/zinc/23/27/24/343232724.db2.gz	PODROGPCZGDXQX-UHFFFAOYSA-N	0	0	192.649	3.039	10	0		AGAERN
CC[C@H](C)[C@@H](C)Nc1cccc(N)c1	42552287	343247037	/nfs/dbraw/zinc/24/70/37/343247037.db2.gz	ZBRKTIKKEPOQQG-VHSXEESVSA-N	0	0	192.306	3.115	10	0		AGAERN
Cc1ccsc1C(=O)C1CCC1	42728542	343248289	/nfs/dbraw/zinc/24/82/89/343248289.db2.gz	TWLRSPFUVPZLBZ-UHFFFAOYSA-N	0	0	180.272	3.039	10	0		AGAERN
CC[C@@H](Nc1cccc(C)n1)C(C)C	42591060	343248306	/nfs/dbraw/zinc/24/83/06/343248306.db2.gz	PLHWBRCIWUIUAM-LLVKDONJSA-N	0	0	192.306	3.237	10	0		AGAERN
Cc1ccsc1[C@H](O)CC(C)C	42730860	343249096	/nfs/dbraw/zinc/24/90/96/343249096.db2.gz	SNPOGJBTHMHMTC-SECBINFHSA-N	0	0	184.304	3.136	10	0		AGAERN
Cc1cc(C(=O)C2CCCC2)c(C)o1	43609417	343256585	/nfs/dbraw/zinc/25/65/85/343256585.db2.gz	MHUGOKOBNPXOAB-UHFFFAOYSA-N	0	0	192.258	3.269	10	0		AGAERN
CC(C)C[C@H]1CCCCCC1=O	43649977	343258203	/nfs/dbraw/zinc/25/82/03/343258203.db2.gz	TWFITQUMFUAWJK-SNVBAGLBSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H](O)CCc1cccc(Cl)c1	43657728	343258441	/nfs/dbraw/zinc/25/84/41/343258441.db2.gz	LSNRUUZTQVJYPL-LLVKDONJSA-N	0	0	198.693	3.044	10	0		AGAERN
O[C@H]1CCC[C@@H]1CC1CCCCC1	43656011	343258444	/nfs/dbraw/zinc/25/84/44/343258444.db2.gz	IZRURHHFYIGQRS-NEPJUHHUSA-N	0	0	182.307	3.118	10	0		AGAERN
O[C@@H]1CCC[C@H]1CC1CCCCC1	43656013	343258445	/nfs/dbraw/zinc/25/84/45/343258445.db2.gz	IZRURHHFYIGQRS-NWDGAFQWSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@@H]1CC[C@@H](O)[C@H](CC(C)C)C1	43660632	343258815	/nfs/dbraw/zinc/25/88/15/343258815.db2.gz	UEVHSOHSFQLEQE-IJLUTSLNSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1cc(C)c2[nH]ccc2c1Cl	44184892	343261871	/nfs/dbraw/zinc/26/18/71/343261871.db2.gz	PIUDPAIHUPUSGB-UHFFFAOYSA-N	0	0	179.650	3.438	10	0	in-vitro	AGAERN
COc1cc(Cl)c2cc[nH]c2c1C	44185074	343261880	/nfs/dbraw/zinc/26/18/80/343261880.db2.gz	KYPKCHNJPQNLBP-UHFFFAOYSA-N	0	0	195.649	3.138	10	0	in-vitro	AGAERN
CCCCC(=O)c1sccc1C	44415611	343265349	/nfs/dbraw/zinc/26/53/49/343265349.db2.gz	CPYRHDXUJBOWKO-UHFFFAOYSA-N	0	0	182.288	3.429	10	0		AGAERN
CC[C@H]1CCC(=O)[C@@H](CC(C)C)C1	44468769	343265752	/nfs/dbraw/zinc/26/57/52/343265752.db2.gz	HDCCPXXMRCVBNK-QWRGUYRKSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H]1CCCc2ccccc2[C@H]1O	44470070	343265759	/nfs/dbraw/zinc/26/57/59/343265759.db2.gz	UDSYLDZXJKCKGK-GWCFXTLKSA-N	0	0	190.286	3.083	10	0		AGAERN
Cc1cc(C(=O)C(C)(C)C)c(C)o1	44467245	343265761	/nfs/dbraw/zinc/26/57/61/343265761.db2.gz	ZZVWFLKHFHELTA-UHFFFAOYSA-N	0	0	180.247	3.125	10	0		AGAERN
CC[C@@H]1CCC(=O)[C@H](CC(C)C)C1	44468760	343265798	/nfs/dbraw/zinc/26/57/98/343265798.db2.gz	HDCCPXXMRCVBNK-GHMZBOCLSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)c1nc2cccc(O)c2s1	45236740	343271683	/nfs/dbraw/zinc/27/16/83/343271683.db2.gz	MATABYKZAHDSPK-UHFFFAOYSA-N	0	0	193.271	3.125	10	0		AGAERN
Cc1c(Cl)ccc2ncsc12	45237287	343271759	/nfs/dbraw/zinc/27/17/59/343271759.db2.gz	RWJZYNVAFOZMKP-UHFFFAOYSA-N	0	0	183.663	3.258	10	0		AGAERN
Cc1cc(F)cc(-c2cccnc2)c1	47217188	343273169	/nfs/dbraw/zinc/27/31/69/343273169.db2.gz	HOIZPSOTUHLRHU-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1nc(C2CCCCC2)c(N)s1	50308155	343281109	/nfs/dbraw/zinc/28/11/09/343281109.db2.gz	HJPPWZWMKOMHOX-UHFFFAOYSA-N	0	0	196.319	3.081	10	0		AGAERN
CC[C@H](C)Oc1ccc(N)c(Cl)c1	50470907	343283167	/nfs/dbraw/zinc/28/31/67/343283167.db2.gz	YTHTUUDROQMLMV-ZETCQYMHSA-N	0	0	199.681	3.100	10	0		AGAERN
CC[C@@H](Nc1ncccc1C)C(C)C	51041086	343288334	/nfs/dbraw/zinc/28/83/34/343288334.db2.gz	KQHLOGMMANUVEL-LLVKDONJSA-N	0	0	192.306	3.237	10	0		AGAERN
CC[C@H](C)Sc1cc(F)ccc1N	52122407	343300417	/nfs/dbraw/zinc/30/04/17/343300417.db2.gz	BLUWYPIQZWYKRL-ZETCQYMHSA-N	0	0	199.294	3.299	10	0		AGAERN
Cc1ccc(C(=O)C(C)(C)C)cc1F	52231642	343302663	/nfs/dbraw/zinc/30/26/63/343302663.db2.gz	HMOGEERCLLUMIH-UHFFFAOYSA-N	0	0	194.249	3.363	10	0		AGAERN
Cc1ccc([C@H](O)C(C)(C)C)cc1F	52231730	343302701	/nfs/dbraw/zinc/30/27/01/343302701.db2.gz	QIXOWQSJOONVMG-NSHDSACASA-N	0	0	196.265	3.214	10	0		AGAERN
CC[C@H](C)[C@](C)(O)c1ccccc1F	52887879	343311530	/nfs/dbraw/zinc/31/15/30/343311530.db2.gz	KTDJRMNSQBKDQM-CABZTGNLSA-N	0	0	196.265	3.079	10	0		AGAERN
CCSCCNc1ccccc1C	53616328	343314799	/nfs/dbraw/zinc/31/47/99/343314799.db2.gz	WIXGOMPLCUAHKG-UHFFFAOYSA-N	0	0	195.331	3.160	10	0		AGAERN
O=C(c1ccco1)C1CCCCCC1	53713906	343315206	/nfs/dbraw/zinc/31/52/06/343315206.db2.gz	TUSDZBZBPUXMNT-UHFFFAOYSA-N	0	0	192.258	3.433	10	0		AGAERN
Cc1ccc(N)cc1NCC(C)(C)C	53735156	343315501	/nfs/dbraw/zinc/31/55/01/343315501.db2.gz	CRHYXSHJAGTBEG-UHFFFAOYSA-N	0	0	192.306	3.035	10	0		AGAERN
CCC(C)(C)Nc1cc(N)ccc1C	53734644	343315504	/nfs/dbraw/zinc/31/55/04/343315504.db2.gz	SILMQSFVPHIYKS-UHFFFAOYSA-N	0	0	192.306	3.178	10	0		AGAERN
Cc1ccc(N)cc1SCC(C)C	53735697	343315734	/nfs/dbraw/zinc/31/57/34/343315734.db2.gz	WMIPYNZJGPGOEV-UHFFFAOYSA-N	0	0	195.331	3.325	10	0		AGAERN
O[C@@H]1CCCCC[C@H]1C1CCCC1	53751566	343316383	/nfs/dbraw/zinc/31/63/83/343316383.db2.gz	NQQHXWPXLYOLMG-NWDGAFQWSA-N	0	0	182.307	3.118	10	0		AGAERN
CCCC[C@@H](O)Cc1ccc(C)cc1	53787329	343316598	/nfs/dbraw/zinc/31/65/98/343316598.db2.gz	BURJKARTWMOJRN-CYBMUJFWSA-N	0	0	192.302	3.089	10	0		AGAERN
Clc1cccc([C@@H]2CO2)c1Cl	55027094	343332939	/nfs/dbraw/zinc/33/29/39/343332939.db2.gz	JSSIVJGRLZMOJX-ZETCQYMHSA-N	0	0	189.041	3.065	10	0		AGAERN
CCC[C@H](C)Nc1ccc(N)c(C)c1	57454373	343337624	/nfs/dbraw/zinc/33/76/24/343337624.db2.gz	MUYVDEKSXDQPMS-JTQLQIEISA-N	0	0	192.306	3.178	10	0		AGAERN
CCC[C@@H](C)Nc1ccc(N)c(C)c1	57454371	343337645	/nfs/dbraw/zinc/33/76/45/343337645.db2.gz	MUYVDEKSXDQPMS-SNVBAGLBSA-N	0	0	192.306	3.178	10	0		AGAERN
Cc1cc(F)ccc1[C@@H](O)C(C)(C)C	55202257	343334865	/nfs/dbraw/zinc/33/48/65/343334865.db2.gz	XTTCJWNWDDRFNY-LLVKDONJSA-N	0	0	196.265	3.214	10	0		AGAERN
Cc1ccc(F)c([C@H](O)CC(C)C)c1	55201798	343334874	/nfs/dbraw/zinc/33/48/74/343334874.db2.gz	CKDUOVYUEVFQBD-GFCCVEGCSA-N	0	0	196.265	3.214	10	0		AGAERN
Cc1ccc(F)c([C@@H](O)CC(C)C)c1	55201801	343334894	/nfs/dbraw/zinc/33/48/94/343334894.db2.gz	CKDUOVYUEVFQBD-LBPRGKRZSA-N	0	0	196.265	3.214	10	0		AGAERN
Cc1cc(F)ccc1C(=O)C(C)(C)C	55199572	343334908	/nfs/dbraw/zinc/33/49/08/343334908.db2.gz	AOTGLAPQFNLTPS-UHFFFAOYSA-N	0	0	194.249	3.363	10	0		AGAERN
Clc1ccc(/N=N/N2CCC2)cc1	59151705	343342575	/nfs/dbraw/zinc/34/25/75/343342575.db2.gz	WGGSORMPLGBWCG-VAWYXSNFSA-N	0	0	195.653	3.044	10	0		AGAERN
C[C@@H]1C(=O)CC[C@H]1C1CCCCC1	59201611	343342945	/nfs/dbraw/zinc/34/29/45/343342945.db2.gz	JHUVBWOQNFOVPL-GXSJLCMTSA-N	0	0	180.291	3.182	10	0		AGAERN
CCCc1nc2c(Cl)cccc2[nH]1	59362087	343344170	/nfs/dbraw/zinc/34/41/70/343344170.db2.gz	XRVHPUVMGYXWGP-UHFFFAOYSA-N	0	0	194.665	3.169	10	0		AGAERN
CCc1cc(Cl)c(O)cc1Cl	59557326	343345748	/nfs/dbraw/zinc/34/57/48/343345748.db2.gz	GARRNRUXZPMBNK-UHFFFAOYSA-N	0	0	191.057	3.261	10	0		AGAERN
CC1(C)Oc2ccccc2C1(C)C	59552418	343345822	/nfs/dbraw/zinc/34/58/22/343345822.db2.gz	CFSUAGJQCVRVIE-UHFFFAOYSA-N	0	0	176.259	3.135	10	0		AGAERN
CC(C)[C@H]1CC[C@H](C)CC1	59721251	343347315	/nfs/dbraw/zinc/34/73/15/343347315.db2.gz	WZHFMLWGYGSSRW-UWVGGRQHSA-N	0	0	139.262	3.283	10	0		AGAERN
C=CO[C@@H]1CCCc2ccccc21	60192481	343351421	/nfs/dbraw/zinc/35/14/21/343351421.db2.gz	ZFTHWCCTQWSHIN-GFCCVEGCSA-N	0	0	174.243	3.224	10	0		AGAERN
CC(C)C(=O)c1cccc2cnccc12	61123606	343355190	/nfs/dbraw/zinc/35/51/90/343355190.db2.gz	NGLLHGSKNKKXRW-UHFFFAOYSA-N	0	0	199.253	3.074	10	0		AGAERN
CC[C@@H](C)c1cc(NC(C)(C)C)n[nH]1	62669242	343377457	/nfs/dbraw/zinc/37/74/57/343377457.db2.gz	JMXHTPHPUAADTP-MRVPVSSYSA-N	0	0	195.310	3.134	10	0		AGAERN
CCC(C)(C)c1ccc([C@@H](C)O)cc1	62720068	343378244	/nfs/dbraw/zinc/37/82/44/343378244.db2.gz	ZZOKSMXPWAILDX-SNVBAGLBSA-N	0	0	192.302	3.428	10	0		AGAERN
CCC[C@H](C)Nc1cccc(N)c1C	62724107	343378877	/nfs/dbraw/zinc/37/88/77/343378877.db2.gz	QUFHFPMRKCKKSZ-VIFPVBQESA-N	0	0	192.306	3.178	10	0		AGAERN
CCCC[C@@H](O)c1ccccc1F	62774161	343379364	/nfs/dbraw/zinc/37/93/64/343379364.db2.gz	SOHRZXGUZOXMQM-LLVKDONJSA-N	0	0	182.238	3.049	10	0		AGAERN
CC(=O)c1ccccc1-c1ccoc1	68978256	343417888	/nfs/dbraw/zinc/41/78/88/343417888.db2.gz	WTOBMMQFEXLCJN-UHFFFAOYSA-N	0	0	186.210	3.149	10	0		AGAERN
CC[C@H](C)C(=O)c1[nH]c(C)c(C)c1C	68944280	343415721	/nfs/dbraw/zinc/41/57/21/343415721.db2.gz	LCLCISCAFKCFDZ-ZETCQYMHSA-N	0	0	193.290	3.169	10	0		AGAERN
CC[C@@H](C)C(=O)c1[nH]c(C)c(C)c1C	68944279	343415722	/nfs/dbraw/zinc/41/57/22/343415722.db2.gz	LCLCISCAFKCFDZ-SSDOTTSWSA-N	0	0	193.290	3.169	10	0		AGAERN
CC(C)[C@@H](C)[C@H](O)c1cccs1	69689375	343435052	/nfs/dbraw/zinc/43/50/52/343435052.db2.gz	NTXFXRJGTIFSBD-SCZZXKLOSA-N	0	0	184.304	3.074	10	0		AGAERN
Cc1ccc([C@@H](O)[C@@H](C)C(C)C)cc1	69689296	343435054	/nfs/dbraw/zinc/43/50/54/343435054.db2.gz	UHCSTKWDVQXBHM-AAEUAGOBSA-N	0	0	192.302	3.321	10	0		AGAERN
Cc1ccc([C@H](O)[C@H](C)C(C)C)s1	69689189	343435151	/nfs/dbraw/zinc/43/51/51/343435151.db2.gz	PPMFUTYDDKAAAP-MWLCHTKSSA-N	0	0	198.331	3.382	10	0		AGAERN
Cc1ccc([C@@H](O)[C@H](C)C(C)C)cc1	69689302	343435152	/nfs/dbraw/zinc/43/51/52/343435152.db2.gz	UHCSTKWDVQXBHM-YPMHNXCESA-N	0	0	192.302	3.321	10	0		AGAERN
CC(C)[C@H](C)[C@@H](O)c1cccs1	69689384	343435185	/nfs/dbraw/zinc/43/51/85/343435185.db2.gz	NTXFXRJGTIFSBD-WCBMZHEXSA-N	0	0	184.304	3.074	10	0		AGAERN
C[C@@H](C1CCCC1)n1cccc1C=O	69805861	343443608	/nfs/dbraw/zinc/44/36/08/343443608.db2.gz	APOWPBHQMVIBFL-JTQLQIEISA-N	0	0	191.274	3.052	10	0		AGAERN
CCCCc1nc2c(C)cccc2[nH]1	70234973	343485216	/nfs/dbraw/zinc/48/52/16/343485216.db2.gz	KWXMCOSRMGUVNJ-UHFFFAOYSA-N	0	0	188.274	3.214	10	0		AGAERN
CC[C@@H](C)c1nc2c(F)cccc2[nH]1	70235106	343485489	/nfs/dbraw/zinc/48/54/89/343485489.db2.gz	ITCOJJDBYWIUNV-SSDOTTSWSA-N	0	0	192.237	3.216	10	0		AGAERN
CC[C@H](C)c1nc2c(F)cccc2[nH]1	70235108	343485504	/nfs/dbraw/zinc/48/55/04/343485504.db2.gz	ITCOJJDBYWIUNV-ZETCQYMHSA-N	0	0	192.237	3.216	10	0		AGAERN
Clc1cccc2[nH]c(C3CC3)nc12	70235136	343485510	/nfs/dbraw/zinc/48/55/10/343485510.db2.gz	BPNWPVSOJSABLV-UHFFFAOYSA-N	0	0	192.649	3.094	10	0		AGAERN
CC[C@@H]1CCC[C@@](O)(c2ccco2)C1	70563624	343492394	/nfs/dbraw/zinc/49/23/94/343492394.db2.gz	DHQPKSCYKCXENP-PWSUYJOCSA-N	0	0	194.274	3.067	10	0		AGAERN
CC[C@H]1CCC[C@](O)(c2ccco2)C1	70563623	343492420	/nfs/dbraw/zinc/49/24/20/343492420.db2.gz	DHQPKSCYKCXENP-CMPLNLGQSA-N	0	0	194.274	3.067	10	0		AGAERN
CC[C@H]1CCC[C@@](O)(c2ccoc2)C1	70563494	343492421	/nfs/dbraw/zinc/49/24/21/343492421.db2.gz	DKCXOHNHKYWION-JQWIXIFHSA-N	0	0	194.274	3.067	10	0		AGAERN
CC[C@H]1CCC[C@@](O)(c2ccco2)C1	70563625	343492430	/nfs/dbraw/zinc/49/24/30/343492430.db2.gz	DHQPKSCYKCXENP-JQWIXIFHSA-N	0	0	194.274	3.067	10	0		AGAERN
CC[C@@H]1CCC[C@@](O)(c2ccoc2)C1	70563493	343492434	/nfs/dbraw/zinc/49/24/34/343492434.db2.gz	DKCXOHNHKYWION-PWSUYJOCSA-N	0	0	194.274	3.067	10	0		AGAERN
CC[C@@H]1CCC[C@](O)(c2ccco2)C1	70563622	343492443	/nfs/dbraw/zinc/49/24/43/343492443.db2.gz	DHQPKSCYKCXENP-ZYHUDNBSSA-N	0	0	194.274	3.067	10	0		AGAERN
CCc1nccn1[C@H]1CCC[C@H](C)C1	70567789	343493225	/nfs/dbraw/zinc/49/32/25/343493225.db2.gz	AIKWUHHVMZMKBU-QWRGUYRKSA-N	0	0	192.306	3.197	10	0		AGAERN
CC[C@@H](O)c1cc(C)c(Cl)cc1C	70531739	343489002	/nfs/dbraw/zinc/48/90/02/343489002.db2.gz	UKVJPNCRAYFSMT-LLVKDONJSA-N	0	0	198.693	3.400	10	0		AGAERN
O=C1CCCC[C@H](C2CCCC2)C1	70740313	343528052	/nfs/dbraw/zinc/52/80/52/343528052.db2.gz	VJKOEDSFZLZKMV-NSHDSACASA-N	0	0	180.291	3.326	10	0		AGAERN
O=C1CCCC[C@@H](c2cccs2)C1	70740216	343528065	/nfs/dbraw/zinc/52/80/65/343528065.db2.gz	QQUJQAVHXDNQPY-SECBINFHSA-N	0	0	194.299	3.365	10	0		AGAERN
CC[C@H]1CC[C@@](O)(C2CCCC2)C1	70765267	343529726	/nfs/dbraw/zinc/52/97/26/343529726.db2.gz	VBJGQRIQQQGCQX-JQWIXIFHSA-N	0	0	182.307	3.118	10	0		AGAERN
O[C@@H]1CCCC[C@H](C2CCCC2)C1	70776411	343531646	/nfs/dbraw/zinc/53/16/46/343531646.db2.gz	INBDLNJVZNRTMU-NWDGAFQWSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(C)C[C@H]1CNc2ccccc2C1	70709463	343526451	/nfs/dbraw/zinc/52/64/51/343526451.db2.gz	HLYNKJWSNZLQDI-LLVKDONJSA-N	0	0	189.302	3.317	10	0		AGAERN
C[C@H]1C[C@H](C2CC2)c2ccccc2N1	70709636	343526456	/nfs/dbraw/zinc/52/64/56/343526456.db2.gz	QEPARLUIHZQJHR-JOYOIKCWSA-N	0	0	187.286	3.384	10	0		AGAERN
C[C@H]1C[C@@H](C2CC2)c2ccccc2N1	70709639	343526584	/nfs/dbraw/zinc/52/65/84/343526584.db2.gz	QEPARLUIHZQJHR-CABZTGNLSA-N	0	0	187.286	3.384	10	0		AGAERN
CC[C@H](C)C[C@H]1CCCC(=O)C1	70737679	343527119	/nfs/dbraw/zinc/52/71/19/343527119.db2.gz	OHGJWKZFZRWQQF-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1csc(N[C@@H]2CCC[C@H]2C)n1	70833204	343535351	/nfs/dbraw/zinc/53/53/51/343535351.db2.gz	WMKYWMIPLAFEEB-VXNVDRBHSA-N	0	0	196.319	3.052	10	0		AGAERN
Cc1csc(N[C@H]2CCC[C@@H]2C)n1	70833200	343535355	/nfs/dbraw/zinc/53/53/55/343535355.db2.gz	WMKYWMIPLAFEEB-CBAPKCEASA-N	0	0	196.319	3.052	10	0		AGAERN
Cc1csc(N[C@H]2CCC[C@H]2C)n1	70833206	343535370	/nfs/dbraw/zinc/53/53/70/343535370.db2.gz	WMKYWMIPLAFEEB-APPZFPTMSA-N	0	0	196.319	3.052	10	0		AGAERN
CCc1cccc2cc(C)[nH]c12	71494925	343554055	/nfs/dbraw/zinc/55/40/55/343554055.db2.gz	WQJJAQXIXFDBDI-UHFFFAOYSA-N	0	0	159.232	3.039	10	0		AGAERN
C/C=C(\C)c1cccc(OC)c1	77921083	343581910	/nfs/dbraw/zinc/58/19/10/343581910.db2.gz	DFUWBNHBYVJUCP-RUDMXATFSA-N	0	0	162.232	3.118	10	0		AGAERN
CCC[C@@H]1CCNc2ccccc21	78135455	343581929	/nfs/dbraw/zinc/58/19/29/343581929.db2.gz	CBWWWVHWYSZQDX-SNVBAGLBSA-N	0	0	175.275	3.386	10	0		AGAERN
CCCCCc1c(C)cccc1O	78412559	343583370	/nfs/dbraw/zinc/58/33/70/343583370.db2.gz	DWKQNRUYIOGYLP-UHFFFAOYSA-N	0	0	178.275	3.433	10	0		AGAERN
CCC(C)(C)c1cccc(OC)c1	79456386	343589100	/nfs/dbraw/zinc/58/91/00/343589100.db2.gz	HGHXIFORBSNSOK-UHFFFAOYSA-N	0	0	178.275	3.383	10	0		AGAERN
CCC[C@H]1CCNc2ccccc21	82665276	343609726	/nfs/dbraw/zinc/60/97/26/343609726.db2.gz	CBWWWVHWYSZQDX-JTQLQIEISA-N	0	0	175.275	3.386	10	0		AGAERN
CCCSc1ccc(N(C)C)cc1	84918089	343638540	/nfs/dbraw/zinc/63/85/40/343638540.db2.gz	ADMMESHFPOPHMP-UHFFFAOYSA-N	0	0	195.331	3.255	10	0		AGAERN
CC(C)Sc1ccc2c(c1)CCN2	89209685	343673183	/nfs/dbraw/zinc/67/31/83/343673183.db2.gz	SFQMZWOBWQXVGV-UHFFFAOYSA-N	0	0	193.315	3.155	10	0		AGAERN
CCc1c(C)ccc2[nH]ccc12	89204307	343673453	/nfs/dbraw/zinc/67/34/53/343673453.db2.gz	JJWCUDFFCYCQDI-UHFFFAOYSA-N	0	0	159.232	3.039	10	0		AGAERN
Cc1ccc(C)c2c1CCCC2	90377588	343675179	/nfs/dbraw/zinc/67/51/79/343675179.db2.gz	ZNUCGPFMUNDULY-UHFFFAOYSA-N	0	0	160.260	3.182	10	0		AGAERN
CC[C@@]1(Br)C=CC=CC1	90414970	343675767	/nfs/dbraw/zinc/67/57/67/343675767.db2.gz	NNVHOVUTBOPOKO-MRVPVSSYSA-N	0	0	187.080	3.046	10	0		AGAERN
CCCC(Cl)(Cl)Cl	90416365	343675789	/nfs/dbraw/zinc/67/57/89/343675789.db2.gz	ABSHBZODGOHLFR-UHFFFAOYSA-N	0	0	161.459	3.157	10	0		AGAERN
Cc1ccccc1/C=C\Br	90469866	343675790	/nfs/dbraw/zinc/67/57/90/343675790.db2.gz	JMWRLLGTPODZBM-SREVYHEPSA-N	0	0	197.075	3.361	10	0		AGAERN
CC(=O)c1ccccc1CCCCF	95644728	343685452	/nfs/dbraw/zinc/68/54/52/343685452.db2.gz	YQHVSXLTYDWLSI-UHFFFAOYSA-N	0	0	194.249	3.181	10	0		AGAERN
C[C@H]1Cc2ccccc2C[C@H]1C	96328097	343696751	/nfs/dbraw/zinc/69/67/51/343696751.db2.gz	NJOXXZPRVMTBBP-AOOOYVTPSA-N	0	0	160.260	3.057	10	0		AGAERN
CC[C@H](C)c1ccc(F)c(O)c1	96328661	343696858	/nfs/dbraw/zinc/69/68/58/343696858.db2.gz	LGXNFYPIWZDEBI-ZETCQYMHSA-N	0	0	168.211	3.045	10	0		AGAERN
Cc1cc(F)c(Cl)c2cc[nH]c12	96321437	343696907	/nfs/dbraw/zinc/69/69/07/343696907.db2.gz	TYGOHVWELROKML-UHFFFAOYSA-N	0	0	183.613	3.269	10	0		AGAERN
C[C@H]1CCc2ccccc2[C@H]1C	98044040	343704706	/nfs/dbraw/zinc/70/47/06/343704706.db2.gz	NRUTYKMOTTYXTF-UWVGGRQHSA-N	0	0	160.260	3.372	10	0		AGAERN
CC/C=C\N(C)c1ccccc1	100232292	343713272	/nfs/dbraw/zinc/71/32/72/343713272.db2.gz	VJHSRDIFIFLHJC-WMZJFQQLSA-N	0	0	161.248	3.047	10	0		AGAERN
Cc1cc(Cl)c(N)c2ccccc12	108302021	343751932	/nfs/dbraw/zinc/75/19/32/343751932.db2.gz	HGXKKSNLWFCUBT-UHFFFAOYSA-N	0	0	191.661	3.384	10	0		AGAERN
CCc1cc(C)c(C)cc1CC	111335067	343754180	/nfs/dbraw/zinc/75/41/80/343754180.db2.gz	JYXHXHGEOGZDBC-UHFFFAOYSA-N	0	0	162.276	3.428	10	0		AGAERN
C=C(/C=C/C)c1ccccc1	115163843	343766238	/nfs/dbraw/zinc/76/62/38/343766238.db2.gz	MIUBQKCXRYVWFR-XVNBXDOJSA-N	0	0	144.217	3.276	10	0		AGAERN
C1CCC2=C(CC1)CCC2	111348711	343754186	/nfs/dbraw/zinc/75/41/86/343754186.db2.gz	ZQLAQUUTBNRDBN-UHFFFAOYSA-N	0	0	136.238	3.431	10	0		AGAERN
CC1=CCCC=C(C)CC1	111392133	343754195	/nfs/dbraw/zinc/75/41/95/343754195.db2.gz	UKNFYLAGXMXTKA-UHFFFAOYSA-N	0	0	136.238	3.453	10	0		AGAERN
CCC[C@@H]1C=CCCC1	111341217	343754198	/nfs/dbraw/zinc/75/41/98/343754198.db2.gz	XWIMYKYUBWUJOH-SECBINFHSA-N	0	0	124.227	3.143	10	0		AGAERN
C=C/C=C\C=C\c1ccccc1	112948632	343756161	/nfs/dbraw/zinc/75/61/61/343756161.db2.gz	PSJMEAWITNYZAF-ZNUQQGBJSA-N	0	0	156.228	3.442	10	0		AGAERN
CC1=C[C@@H](C)C2=C1CCCC2	117539896	343772926	/nfs/dbraw/zinc/77/29/26/343772926.db2.gz	QGRQRABXIIBLFO-MRVPVSSYSA-N	0	0	148.249	3.453	10	0		AGAERN
COc1cc(-c2ccccc2)cc(C)n1	118718464	343776266	/nfs/dbraw/zinc/77/62/66/343776266.db2.gz	UBKRJPDDJRQAJL-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
Cc1ccccc1SC1CC1	118854769	343776778	/nfs/dbraw/zinc/77/67/78/343776778.db2.gz	GHEKJECONRORCH-UHFFFAOYSA-N	0	0	164.273	3.250	10	0		AGAERN
CC(C)Cc1nc2c([nH]1)[C@@H](C)CCC2	127463654	343811950	/nfs/dbraw/zinc/81/19/50/343811950.db2.gz	VTMXHHWNJYEYBP-VIFPVBQESA-N	0	0	192.306	3.048	10	0		AGAERN
CC[C@@H](C)c1nc2c([nH]1)[C@H](C)CCC2	127486190	343812582	/nfs/dbraw/zinc/81/25/82/343812582.db2.gz	QGCFXUYNWWFWPA-RKDXNWHRSA-N	0	0	192.306	3.363	10	0		AGAERN
CC(C)(C)n1ccc(C2CCCC2)n1	127550786	343814072	/nfs/dbraw/zinc/81/40/72/343814072.db2.gz	VVQPMSIBGKGWSM-UHFFFAOYSA-N	0	0	192.306	3.296	10	0		AGAERN
CC(C)[C@H](C)c1nc2c([nH]1)CCCC2	127457501	343811925	/nfs/dbraw/zinc/81/19/25/343811925.db2.gz	SCDJSABKCRWKQW-VIFPVBQESA-N	0	0	192.306	3.048	10	0		AGAERN
CC[C@@H](O)CC1CCCCCC1	128288308	343828380	/nfs/dbraw/zinc/82/83/80/343828380.db2.gz	VAYCQHNZVVRUCM-LLVKDONJSA-N	0	0	170.296	3.118	10	0		AGAERN
c1csc([C@H]2CCCCS2)n1	128499807	343832886	/nfs/dbraw/zinc/83/28/86/343832886.db2.gz	PPXHREZOILOWRR-SSDOTTSWSA-N	0	0	185.317	3.101	10	0		AGAERN
O=C1CC[C@@H](C2CCCCCC2)C1	128591341	343834544	/nfs/dbraw/zinc/83/45/44/343834544.db2.gz	HLMNSRUUUXFYKQ-LLVKDONJSA-N	0	0	180.291	3.326	10	0		AGAERN
CSCCNc1cc(C)ccc1C	128860255	343838605	/nfs/dbraw/zinc/83/86/05/343838605.db2.gz	AJLRYASPKZERSO-UHFFFAOYSA-N	0	0	195.331	3.078	10	0		AGAERN
O[C@@H](CC1CCCCCC1)C1CC1	128305803	343828894	/nfs/dbraw/zinc/82/88/94/343828894.db2.gz	XJZRSQHDAJIAFU-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
O[C@H](CC1CCCCCC1)C1CC1	128306014	343828909	/nfs/dbraw/zinc/82/89/09/343828909.db2.gz	XJZRSQHDAJIAFU-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1csc(N[C@@H]2CC[C@H](C)C2)n1	129656763	343854261	/nfs/dbraw/zinc/85/42/61/343854261.db2.gz	VUKXCFZISZCOKY-IONNQARKSA-N	0	0	196.319	3.052	10	0		AGAERN
CC(C)OC(=O)CC1CCCCCC1	129644136	343854299	/nfs/dbraw/zinc/85/42/99/343854299.db2.gz	HRHLMRRQFWFAQB-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
Cc1csc(N[C@H]2CC[C@H](C)C2)n1	129656992	343854737	/nfs/dbraw/zinc/85/47/37/343854737.db2.gz	VUKXCFZISZCOKY-CBAPKCEASA-N	0	0	196.319	3.052	10	0		AGAERN
CC[C@H]1Cc2ccccc2C(=O)[C@@H]1C	131833908	343889388	/nfs/dbraw/zinc/88/93/88/343889388.db2.gz	YPEGXPXPQMMUJG-ZJUUUORDSA-N	0	0	188.270	3.088	10	0		AGAERN
C[C@H]1CCC[C@@H](c2nccs2)C1	131884942	343890435	/nfs/dbraw/zinc/89/04/35/343890435.db2.gz	BLPGPFIPYINTCW-DTWKUNHWSA-N	0	0	181.304	3.437	10	0		AGAERN
C[C@@H]1CCC[C@@H](c2nccs2)C1	131884725	343890445	/nfs/dbraw/zinc/89/04/45/343890445.db2.gz	BLPGPFIPYINTCW-RKDXNWHRSA-N	0	0	181.304	3.437	10	0		AGAERN
C[C@@H]1CCC[C@H](c2nccs2)C1	131884287	343890472	/nfs/dbraw/zinc/89/04/72/343890472.db2.gz	BLPGPFIPYINTCW-BDAKNGLRSA-N	0	0	181.304	3.437	10	0		AGAERN
Cc1ccc(F)cc1-c1nccs1	131885436	343890478	/nfs/dbraw/zinc/89/04/78/343890478.db2.gz	OZGHGTWDCHRMCD-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
Cc1coc2c(F)ccc(F)c12	131550870	343886642	/nfs/dbraw/zinc/88/66/42/343886642.db2.gz	PNIRFVYVIZQDKW-UHFFFAOYSA-N	0	0	168.142	3.019	10	0		AGAERN
CC[C@H](C)Nc1cccc(Cl)c1N	132666928	343902434	/nfs/dbraw/zinc/90/24/34/343902434.db2.gz	ALNOMZAJGMNLJR-ZETCQYMHSA-N	0	0	198.697	3.133	10	0		AGAERN
C(C=Cc1cc[nH]n1)=Cc1ccccc1	4301731	166043515	/nfs/dbraw/zinc/04/35/15/166043515.db2.gz	FFTZWJNNDVASCO-KBXRYBNXSA-N	0	0	196.253	3.136	10	0		AGAERN
C(=C/c1ccoc1)\c1ccccc1	34273894	166043687	/nfs/dbraw/zinc/04/36/87/166043687.db2.gz	FGPODXIBURBNDF-VOTSOKGWSA-N	0	0	170.211	3.450	10	0		AGAERN
C(=C/c1ccccc1)\Cn1cccc1	38312461	166044161	/nfs/dbraw/zinc/04/41/61/166044161.db2.gz	WNHUPMIKDOVWDZ-RMKNXTFCSA-N	0	0	183.254	3.202	10	0		AGAERN
C(=C/c1ccccc1)\C[C@H]1CCCO1	21991375	166044396	/nfs/dbraw/zinc/04/43/96/166044396.db2.gz	CXBAFGATRBCASL-GBVBUYCNSA-N	0	0	188.270	3.269	10	0		AGAERN
C(=C/c1cccnc1)\c1ccccc1	5162287	166044406	/nfs/dbraw/zinc/04/44/06/166044406.db2.gz	RMSGACVDMOLUPL-CMDGGOBGSA-N	0	0	181.238	3.252	10	0		AGAERN
C(=C/c1ccccc1)\C[C@@H]1CCCO1	21991378	166045002	/nfs/dbraw/zinc/04/50/02/166045002.db2.gz	CXBAFGATRBCASL-FLUIGGAXSA-N	0	0	188.270	3.269	10	0		AGAERN
C(=C1CCCCC1)c1ccno1	39113131	166045021	/nfs/dbraw/zinc/04/50/21/166045021.db2.gz	MGLIVPAAZKDLAB-UHFFFAOYSA-N	0	0	163.220	3.022	10	0		AGAERN
C(C=Cc1cc[nH]n1)=Cc1ccccc1	12340026	166045127	/nfs/dbraw/zinc/04/51/27/166045127.db2.gz	FFTZWJNNDVASCO-XEQVNJCQSA-N	0	0	196.253	3.136	10	0		AGAERN
C(=C/c1ccco1)\c1ccccc1	32302478	166045367	/nfs/dbraw/zinc/04/53/67/166045367.db2.gz	QHVQSFNBGRXCRP-CMDGGOBGSA-N	0	0	170.211	3.450	10	0		AGAERN
C(=C\c1cccs1)\c1ccccn1	33247176	166045776	/nfs/dbraw/zinc/04/57/76/166045776.db2.gz	USLZJZLYYVWZCS-SREVYHEPSA-N	0	0	187.267	3.314	10	0		AGAERN
CC[C@@H](C)Nc1cccc(Cl)c1N	132666733	343902444	/nfs/dbraw/zinc/90/24/44/343902444.db2.gz	ALNOMZAJGMNLJR-SSDOTTSWSA-N	0	0	198.697	3.133	10	0		AGAERN
C(=C\c1ccccc1)\Cn1cccc1	211107498	166045845	/nfs/dbraw/zinc/04/58/45/166045845.db2.gz	WNHUPMIKDOVWDZ-TWGQIWQCSA-N	0	0	183.254	3.202	10	0		AGAERN
C(=Cc1c[nH]cn1)CCc1ccccc1	26169790	166045930	/nfs/dbraw/zinc/04/59/30/166045930.db2.gz	GDDNXXWEGREXCA-UITAMQMPSA-N	0	0	198.269	3.056	10	0		AGAERN
C(=C\c1cccs1)\c1ccc[nH]1	97464745	166046256	/nfs/dbraw/zinc/04/62/56/166046256.db2.gz	ZSNZVAHMWATYPV-WAYWQWQTSA-N	0	0	175.256	3.247	10	0		AGAERN
C(C=Cc1cc[nH]n1)=Cc1ccccc1	8616672	166047032	/nfs/dbraw/zinc/04/70/32/166047032.db2.gz	FFTZWJNNDVASCO-HXGSSHHBSA-N	0	0	196.253	3.136	10	0		AGAERN
C(CCCN1CC1)CCC1CCCC1	39112486	166047108	/nfs/dbraw/zinc/04/71/08/166047108.db2.gz	DFCNTQLNVSMGBL-UHFFFAOYSA-N	0	0	195.350	3.443	10	0		AGAERN
C(C=Cc1cc[nH]n1)=Cc1ccccc1	8616674	166047614	/nfs/dbraw/zinc/04/76/14/166047614.db2.gz	FFTZWJNNDVASCO-MVTUOISNSA-N	0	0	196.253	3.136	10	0		AGAERN
CC(C=O)c1ccc(Cl)cc1	100101074	166048276	/nfs/dbraw/zinc/04/82/76/166048276.db2.gz	GMEZPPHAIGIPAM-SREVYHEPSA-N	0	0	168.623	3.259	10	0		AGAERN
C/C(=C\Br)c1ccccc1	83253397	166048606	/nfs/dbraw/zinc/04/86/06/166048606.db2.gz	CWQZIGGWSCPOPK-BQYQJAHWSA-N	0	0	197.075	3.442	10	0		AGAERN
C/C(=C/c1ccccc1)c1ccon1	85473473	166048945	/nfs/dbraw/zinc/04/89/45/166048945.db2.gz	UIFUFXPKRWWGRZ-KTKRTIGZSA-N	0	0	185.226	3.235	10	0		AGAERN
C/C(=C/c1ccccc1)c1ccno1	85473470	166049862	/nfs/dbraw/zinc/04/98/62/166049862.db2.gz	VAPVNCPFOFZTLJ-KTKRTIGZSA-N	0	0	185.226	3.235	10	0		AGAERN
CC(C=O)c1ccc(Cl)cc1	301054691	166051360	/nfs/dbraw/zinc/05/13/60/166051360.db2.gz	GMEZPPHAIGIPAM-VOTSOKGWSA-N	0	0	168.623	3.259	10	0		AGAERN
C/C=C(/CC)c1ccc(O)cc1	82012647	166058873	/nfs/dbraw/zinc/05/88/73/166058873.db2.gz	OAQCKVUYYKKWCJ-OQFOIZHKSA-N	0	0	162.232	3.206	10	0		AGAERN
C/C=C(C)\C=C/c1ccccc1N	75563792	166058966	/nfs/dbraw/zinc/05/89/66/166058966.db2.gz	JSHZMDDMWYVDHO-VRVALFJFSA-N	0	0	173.259	3.248	10	0		AGAERN
C/C=C(\C)c1nc([C@H](C)CC)no1	306700028	166059263	/nfs/dbraw/zinc/05/92/63/166059263.db2.gz	DYQILIDBJXFTQN-UQBZRGDZSA-N	0	0	180.251	3.006	10	0		AGAERN
C/C=C(\CC)CCC	2564174	166059344	/nfs/dbraw/zinc/05/93/44/166059344.db2.gz	QEMJIDSLEPYRLM-VMPITWQZSA-N	0	0	112.216	3.143	10	0		AGAERN
C/C=C(\C)c1nc([C@@H](C)CC)no1	306700027	166059537	/nfs/dbraw/zinc/05/95/37/166059537.db2.gz	DYQILIDBJXFTQN-DGUDBNDOSA-N	0	0	180.251	3.006	10	0		AGAERN
C/C=C(\CF)c1ccccc1OC	39090076	166059621	/nfs/dbraw/zinc/05/96/21/166059621.db2.gz	PDJQHEDCEBTNMP-YCRREMRBSA-N	0	0	180.222	3.068	10	0		AGAERN
C/C=C(\CF)c1ccc(OC)cc1	39090075	166059683	/nfs/dbraw/zinc/05/96/83/166059683.db2.gz	HSDJGRZNKWRLFT-YCRREMRBSA-N	0	0	180.222	3.068	10	0		AGAERN
C/C=C(\CC)c1ccc2c(c1)OCO2	70632476	166059828	/nfs/dbraw/zinc/05/98/28/166059828.db2.gz	NIMKYVIZYOWLKV-YCRREMRBSA-N	0	0	190.242	3.229	10	0		AGAERN
C/C=C(/CC)c1ccc(O)c(C=O)c1	95917498	166059878	/nfs/dbraw/zinc/05/98/78/166059878.db2.gz	YHSHAWWYDOXVHY-OQFOIZHKSA-N	0	0	190.242	3.018	10	0		AGAERN
C/C=C(/F)c1ccccc1	95938367	166060084	/nfs/dbraw/zinc/06/00/84/166060084.db2.gz	FZERQJJTOWFQIE-XNWCZRBMSA-N	0	0	136.169	3.017	10	0		AGAERN
C/C=C(\C)c1cccc2c1NCC2	89210332	166060219	/nfs/dbraw/zinc/06/02/19/166060219.db2.gz	KURKUJLCQZKWGH-YCRREMRBSA-N	0	0	173.259	3.078	10	0		AGAERN
C/C=C/C=C1CCCCC1	104839451	166061792	/nfs/dbraw/zinc/06/17/92/166061792.db2.gz	ZIONZUMLMRXTJW-NSCUHMNNSA-N	0	0	136.238	3.453	10	0		AGAERN
C/C=C/C=C\CCCCCCCO	5823536	166061796	/nfs/dbraw/zinc/06/17/96/166061796.db2.gz	CSWBSLXBXRFNST-IAROGAJJSA-N	0	0	182.307	3.452	10	0		AGAERN
C/C=C/C1=CCCCC1	70632467	166061927	/nfs/dbraw/zinc/06/19/27/166061927.db2.gz	BXIHKZJXKILOSE-QHHAFSJGSA-N	0	0	122.211	3.063	10	0		AGAERN
C/C=C/COc1ccc(CC)cc1	70234602	166062253	/nfs/dbraw/zinc/06/22/53/166062253.db2.gz	FNZDNFTVYPHVMY-HWKANZROSA-N	0	0	176.259	3.204	10	0		AGAERN
C/C=C/CSc1ccc(C)cc1N	37193324	166062311	/nfs/dbraw/zinc/06/23/11/166062311.db2.gz	OLYIXCKRLBCPHQ-ONEGZZNKSA-N	0	0	193.315	3.245	10	0		AGAERN
C/C=C/CSc1ccc(N)cc1F	37194606	166062627	/nfs/dbraw/zinc/06/26/27/166062627.db2.gz	BEWLZAAKUHNMCQ-NSCUHMNNSA-N	0	0	197.278	3.076	10	0		AGAERN
C/C=C/C[C@H]1C[C@@H](CC)CCC1=O	43653429	166062682	/nfs/dbraw/zinc/06/26/82/166062682.db2.gz	YSITVJDHKHEPIL-UTSBZEJYSA-N	0	0	180.291	3.348	10	0		AGAERN
C/C=C/CSc1ccc(N)cc1C	37193971	166062938	/nfs/dbraw/zinc/06/29/38/166062938.db2.gz	WMZBDWAGJFNGPR-ONEGZZNKSA-N	0	0	193.315	3.245	10	0		AGAERN
C/C=C/C[C@H]1C[C@H](CC)CCC1=O	43653427	166063012	/nfs/dbraw/zinc/06/30/12/166063012.db2.gz	YSITVJDHKHEPIL-YYMQPOIQSA-N	0	0	180.291	3.348	10	0		AGAERN
C/C=C/C[C@@H]1C[C@@H](CC)CCC1=O	43653425	166063426	/nfs/dbraw/zinc/06/34/26/166063426.db2.gz	YSITVJDHKHEPIL-FWCMMDKOSA-N	0	0	180.291	3.348	10	0		AGAERN
C/C=C/CSc1ccc(O)cc1	38078939	166063677	/nfs/dbraw/zinc/06/36/77/166063677.db2.gz	POJWUHASKDHEBZ-NSCUHMNNSA-N	0	0	180.272	3.060	10	0		AGAERN
C/C=C/COc1cc(C)cc(C)c1	34615487	166063683	/nfs/dbraw/zinc/06/36/83/166063683.db2.gz	OINSKXIZUGOPSC-SNAWJCMRSA-N	0	0	176.259	3.258	10	0		AGAERN
C/C=C/C[C@@H]1C[C@@H](CC)CC[C@@H]1O	49852461	166063735	/nfs/dbraw/zinc/06/37/35/166063735.db2.gz	BFLWPBFDGZWPGM-CQEMYWFJSA-N	0	0	182.307	3.140	10	0		AGAERN
C/C=C/CSc1ccc(F)cc1N	37195276	166064157	/nfs/dbraw/zinc/06/41/57/166064157.db2.gz	DEWWDLUIRVJXQJ-NSCUHMNNSA-N	0	0	197.278	3.076	10	0		AGAERN
C/C=C/[C@@H](C)c1ccc(OC)c(O)c1	75580896	166064525	/nfs/dbraw/zinc/06/45/25/166064525.db2.gz	DOWDDDQNYWOAMS-XNPJLODASA-N	0	0	192.258	3.080	10	0		AGAERN
C/C=C/[C@@H](C)c1ccc(N)c(C)c1	39284799	166064578	/nfs/dbraw/zinc/06/45/78/166064578.db2.gz	MKELMTZYVMKWHF-XNPJLODASA-N	0	0	175.275	3.257	10	0		AGAERN
C/C=C/Cc1ccc2c(c1)CCCN2	256089288	166065032	/nfs/dbraw/zinc/06/50/32/166065032.db2.gz	FLPIIIMUXHNMIL-NSCUHMNNSA-N	0	0	187.286	3.163	10	0		AGAERN
C/C=C/[C@@H](C)c1cccc(C)c1N	38884977	166065067	/nfs/dbraw/zinc/06/50/67/166065067.db2.gz	SONHWHONKMBYOT-OTQAPUNGSA-N	0	0	175.275	3.257	10	0		AGAERN
C/C=C/[C@@H](C)c1ccc(O)cc1OC	75580866	166065194	/nfs/dbraw/zinc/06/51/94/166065194.db2.gz	UCWCGEUHGVXZEP-XNPJLODASA-N	0	0	192.258	3.080	10	0		AGAERN
C/C=C/[C@H](C)c1cccc(C)c1N	38884978	166065359	/nfs/dbraw/zinc/06/53/59/166065359.db2.gz	SONHWHONKMBYOT-DNQSNQRASA-N	0	0	175.275	3.257	10	0		AGAERN
C/C=C/[C@H](C)c1ccc(C)cc1N	39284804	166065374	/nfs/dbraw/zinc/06/53/74/166065374.db2.gz	CISQKPKVAGCJBT-YEZKRMTDSA-N	0	0	175.275	3.257	10	0		AGAERN
C/C=C/[C@@H](C)c1cc(OC)ccc1O	51226	166065382	/nfs/dbraw/zinc/06/53/82/166065382.db2.gz	BRLKRIICLXEIIG-XNPJLODASA-N	0	0	192.258	3.080	10	0		AGAERN
C/C=C/[C@@H](C)c1cc(C)ccc1N	75565692	166065403	/nfs/dbraw/zinc/06/54/03/166065403.db2.gz	VCPVJYOVCQWQIP-ORAHPGNNSA-N	0	0	175.275	3.257	10	0		AGAERN
C/C=C/[C@H](C)c1cc(C)ccc1N	75565693	166065412	/nfs/dbraw/zinc/06/54/12/166065412.db2.gz	VCPVJYOVCQWQIP-YEZKRMTDSA-N	0	0	175.275	3.257	10	0		AGAERN
C/C=C/[C@H](C)c1cc(OC)ccc1O	51228	166065442	/nfs/dbraw/zinc/06/54/42/166065442.db2.gz	BRLKRIICLXEIIG-MOVJSRMASA-N	0	0	192.258	3.080	10	0		AGAERN
C/C=C/[C@H](C)c1ccc(N)cc1C	39284808	166065458	/nfs/dbraw/zinc/06/54/58/166065458.db2.gz	WIHTXWOOTXHHDC-MOVJSRMASA-N	0	0	175.275	3.257	10	0		AGAERN
C/C=C/[C@H](C)c1ccc(N)c(C)c1	39284800	166065547	/nfs/dbraw/zinc/06/55/47/166065547.db2.gz	MKELMTZYVMKWHF-MOVJSRMASA-N	0	0	175.275	3.257	10	0		AGAERN
C/C=C/Cn1c(C=O)cc2ccccc21	255983457	166065562	/nfs/dbraw/zinc/06/55/62/166065562.db2.gz	KMGFDOVCWMISJY-NSCUHMNNSA-N	0	0	199.253	3.030	10	0		AGAERN
C/C=C/[C@H](C)c1ccc(OC)c(O)c1	75580898	166065577	/nfs/dbraw/zinc/06/55/77/166065577.db2.gz	DOWDDDQNYWOAMS-MOVJSRMASA-N	0	0	192.258	3.080	10	0		AGAERN
C/C=C/[C@H](C)c1ccc(OC)cc1O	39602800	166065613	/nfs/dbraw/zinc/06/56/13/166065613.db2.gz	MDSPCZFHYYNHTN-MOVJSRMASA-N	0	0	192.258	3.080	10	0		AGAERN
C/C=C/[C@@H](C)c1ccc(N)cc1C	39284807	166065691	/nfs/dbraw/zinc/06/56/91/166065691.db2.gz	WIHTXWOOTXHHDC-XNPJLODASA-N	0	0	175.275	3.257	10	0		AGAERN
C/C=C/[C@@H](C)c1ccc(OC)cc1O	39602798	166065711	/nfs/dbraw/zinc/06/57/11/166065711.db2.gz	MDSPCZFHYYNHTN-XNPJLODASA-N	0	0	192.258	3.080	10	0		AGAERN
C/C=C/[C@@H](C)c1ccc(C)cc1N	39284803	166065875	/nfs/dbraw/zinc/06/58/75/166065875.db2.gz	CISQKPKVAGCJBT-ORAHPGNNSA-N	0	0	175.275	3.257	10	0		AGAERN
C/C=C/Cc1cc(C)c(O)c(C)c1	62718801	166066168	/nfs/dbraw/zinc/06/61/68/166066168.db2.gz	CBJFZVPRUBERKE-SNAWJCMRSA-N	0	0	176.259	3.128	10	0		AGAERN
C/C=C/[C@H](C)c1ccc(O)cc1OC	75580867	166066246	/nfs/dbraw/zinc/06/62/46/166066246.db2.gz	UCWCGEUHGVXZEP-MOVJSRMASA-N	0	0	192.258	3.080	10	0		AGAERN
C/C=C/c1cccc(Cl)c1O	205010623	166066651	/nfs/dbraw/zinc/06/66/51/166066651.db2.gz	PBIYCZIUGUDLNC-DUXPYHPUSA-N	0	0	168.623	3.079	10	0		AGAERN
C/C=C1/CCCC[C@@H]1C	104843849	166066851	/nfs/dbraw/zinc/06/68/51/166066851.db2.gz	NUHCEMOQRZEGAQ-CLJBBPMWSA-N	0	0	124.227	3.143	10	0		AGAERN
C/C=C/c1ccccc1OCC	39222175	166066925	/nfs/dbraw/zinc/06/69/25/166066925.db2.gz	OPZFSCVNURAGAJ-XVNBXDOJSA-N	0	0	162.232	3.118	10	0		AGAERN
C/C=C1\C=Cc2ccccc21	104833920	166067030	/nfs/dbraw/zinc/06/70/30/166067030.db2.gz	HNZQPQACDDJLTD-XNWCZRBMSA-N	0	0	142.201	3.117	10	0		AGAERN
C/C=C/c1cc(C(C)(C)C)on1	39113194	166067046	/nfs/dbraw/zinc/06/70/46/166067046.db2.gz	DWHGLALRHSNWSP-AATRIKPKSA-N	0	0	165.236	3.005	10	0		AGAERN
CC=Cc1cccc(C(=O)CC)c1O	34589768	166067151	/nfs/dbraw/zinc/06/71/51/166067151.db2.gz	LHGAIJWXKBUQIV-ZZXKWVIFSA-N	0	0	190.242	3.018	10	0		AGAERN
C/C=C/c1ccccc1Cl	77285836	166067166	/nfs/dbraw/zinc/06/71/66/166067166.db2.gz	IGKJZZNHGRQLAI-GORDUTHDSA-N	0	0	152.624	3.373	10	0	in-vitro	AGAERN
C/C=C1/CCCC/C1=C/C	104839694	166067207	/nfs/dbraw/zinc/06/72/07/166067207.db2.gz	ISMMDQDLPHTDNN-UIYSNZQUSA-N	0	0	136.238	3.453	10	0		AGAERN
C/C=C/c1oc(CC)cc1C	104831849	166067243	/nfs/dbraw/zinc/06/72/43/166067243.db2.gz	BJFPROMNKPWFDL-GQCTYLIASA-N	0	0	150.221	3.184	10	0		AGAERN
C/C=C/c1ccc(C)cc1	79185680	166067247	/nfs/dbraw/zinc/06/72/47/166067247.db2.gz	LSMSSYSRCUNIFX-ONEGZZNKSA-N	0	0	132.206	3.028	10	0		AGAERN
C/C=C1/CCCC[C@H]1C	104843851	166067268	/nfs/dbraw/zinc/06/72/68/166067268.db2.gz	NUHCEMOQRZEGAQ-MMEMACFNSA-N	0	0	124.227	3.143	10	0		AGAERN
C/C=C/c1c[nH]c2ccccc12	72107211	166067285	/nfs/dbraw/zinc/06/72/85/166067285.db2.gz	AWGXNKRWPVTDSL-GORDUTHDSA-N	0	0	157.216	3.201	10	0		AGAERN
C/C=C\C=C/CCCC	83316545	166068499	/nfs/dbraw/zinc/06/84/99/166068499.db2.gz	HKEBYUNPANBGPL-XORISBCWSA-N	0	0	124.227	3.309	10	0		AGAERN
C/C=C\c1ccc(Br)cc1	111342095	166069209	/nfs/dbraw/zinc/06/92/09/166069209.db2.gz	KZNLLGVHMGYUAX-IHWYPQMZSA-N	0	0	197.075	3.482	10	0		AGAERN
C/C=C\c1ccccc1OCC	95935189	166070030	/nfs/dbraw/zinc/07/00/30/166070030.db2.gz	OPZFSCVNURAGAJ-CLTKARDFSA-N	0	0	162.232	3.118	10	0		AGAERN
C1=C(COc2ccc3ccccc3c2)O1	95932073	166070895	/nfs/dbraw/zinc/07/08/95/166070895.db2.gz	GQWZLQIAEKYCIY-UHFFFAOYSA-N	0	0	198.221	3.090	10	0		AGAERN
C1=C(C2=CCCC2)CCC1	2389291	166071301	/nfs/dbraw/zinc/07/13/01/166071301.db2.gz	PUARQURWMXSDAB-UHFFFAOYSA-N	0	0	134.222	3.207	10	0		AGAERN
C1=C(OC2=CCCC2)CCC1	33605555	166072058	/nfs/dbraw/zinc/07/20/58/166072058.db2.gz	GYMSGMABTOEEAF-UHFFFAOYSA-N	0	0	150.221	3.139	10	0		AGAERN
C1=C(c2ccccc2)SCCS1	32232885	166072635	/nfs/dbraw/zinc/07/26/35/166072635.db2.gz	PXUJCQJEUZSWIH-UHFFFAOYSA-N	0	0	194.324	3.465	10	0		AGAERN
C1=CC=Cc2cc3[nH]cnc3cc2C=C1	95922743	166073323	/nfs/dbraw/zinc/07/33/23/166073323.db2.gz	YKWNONDEIGYKRW-UHFFFAOYSA-N	0	0	194.237	3.159	10	0		AGAERN
C1=CC=Cc2c(ccc3[nH]cnc23)C=C1	100176490	166073431	/nfs/dbraw/zinc/07/34/31/166073431.db2.gz	HSDZJKRAEYOXRK-UHFFFAOYSA-N	0	0	194.237	3.159	10	0		AGAERN
C1=Cc2nc3ccccc3nc2CC1	100282971	166073627	/nfs/dbraw/zinc/07/36/27/166073627.db2.gz	GMOGVMIKHQEKMP-UHFFFAOYSA-N	0	0	182.226	3.028	10	0		AGAERN
C1=CC=C2C=CC=CC=C2C=C1	64622639	166073838	/nfs/dbraw/zinc/07/38/38/166073838.db2.gz	DDTGNKBZWQHIEH-UHFFFAOYSA-N	0	0	154.212	3.091	10	0	in-vitro	AGAERN
C1=CCC([C@@H]2N=Nc3ncccc32)C1	89224600	166073895	/nfs/dbraw/zinc/07/38/95/166073895.db2.gz	GEJPJXPVXHECCW-JTQLQIEISA-N	0	0	185.230	3.186	10	0		AGAERN
C1=C(c2nccs2)CCCC1	44122450	166074527	/nfs/dbraw/zinc/07/45/27/166074527.db2.gz	TWXDKMUEGIXDCU-UHFFFAOYSA-N	0	0	165.261	3.101	10	0		AGAERN
C1=C(c2cccnc2)Cc2ccccc21	13684496	166074751	/nfs/dbraw/zinc/07/47/51/166074751.db2.gz	NNEAKBWZBQOQDH-UHFFFAOYSA-N	0	0	193.249	3.178	10	0	in-vivo	AGAERN
C1=CC=CN(c2ccccc2)C=C1	1555939	166074761	/nfs/dbraw/zinc/07/47/61/166074761.db2.gz	LGQKWCHXQUKUMT-UHFFFAOYSA-N	0	0	169.227	3.090	10	0		AGAERN
C1=CCC([C@H]2N=Nc3ncccc32)C1	89224595	166074791	/nfs/dbraw/zinc/07/47/91/166074791.db2.gz	GEJPJXPVXHECCW-SNVBAGLBSA-N	0	0	185.230	3.186	10	0		AGAERN
C1=CC[C@H]2CCCC[C@H]2C1	88189302	166075938	/nfs/dbraw/zinc/07/59/38/166075938.db2.gz	XLOVPKCQAPHUKK-AOOOYVTPSA-N	0	0	136.238	3.143	10	0		AGAERN
C1=CCSC(Oc2ccccc2)=C1	36377968	166076482	/nfs/dbraw/zinc/07/64/82/166076482.db2.gz	RTEVVZKHUFCOLG-UHFFFAOYSA-N	0	0	190.267	3.210	10	0		AGAERN
C1=CC[C@@H]2CCCC[C@H]2C1	88189303	166076546	/nfs/dbraw/zinc/07/65/46/166076546.db2.gz	XLOVPKCQAPHUKK-NXEZZACHSA-N	0	0	136.238	3.143	10	0		AGAERN
C1=CC[C@H]2CCCC[C@@H]2C1	88189304	166076669	/nfs/dbraw/zinc/07/66/69/166076669.db2.gz	XLOVPKCQAPHUKK-UWVGGRQHSA-N	0	0	136.238	3.143	10	0		AGAERN
C1=CCN(c2ccc3occcc2-3)CC1	95935531	166076904	/nfs/dbraw/zinc/07/69/04/166076904.db2.gz	IZUFFPXLWMHNHW-UHFFFAOYSA-N	0	0	199.253	3.151	10	0		AGAERN
C1=C[C@@H](SC[C@H]2CCCO2)CCC1	306153258	166077387	/nfs/dbraw/zinc/07/73/87/166077387.db2.gz	DUKCJVHWFLAWQA-GHMZBOCLSA-N	0	0	198.331	3.007	10	0		AGAERN
C1=C[C@@H](Cc2nc3ccccc3[nH]2)CC1	95923039	166077420	/nfs/dbraw/zinc/07/74/20/166077420.db2.gz	NINHJTKYDJQZFD-SNVBAGLBSA-N	0	0	198.269	3.072	10	0		AGAERN
C1=CO[C@@H](c2ccccc2)CCC1	21998886	166077587	/nfs/dbraw/zinc/07/75/87/166077587.db2.gz	DQVSSYWCVKSOOJ-GFCCVEGCSA-N	0	0	174.243	3.442	10	0		AGAERN
C1=C[C@H](Cc2nc3ccccc3[nH]2)CC1	95923038	166077791	/nfs/dbraw/zinc/07/77/91/166077791.db2.gz	NINHJTKYDJQZFD-JTQLQIEISA-N	0	0	198.269	3.072	10	0		AGAERN
C1=CO[C@H](c2ccccc2)CCC1	21998890	166078400	/nfs/dbraw/zinc/07/84/00/166078400.db2.gz	DQVSSYWCVKSOOJ-LBPRGKRZSA-N	0	0	174.243	3.442	10	0		AGAERN
C1=CO[C@H](c2ccccc2)CC1	39199619	166078461	/nfs/dbraw/zinc/07/84/61/166078461.db2.gz	XBICAVJSPSLHFO-NSHDSACASA-N	0	0	160.216	3.052	10	0		AGAERN
C1=C[C@@H](SC[C@@H]2CCCO2)CCC1	306153265	166078501	/nfs/dbraw/zinc/07/85/01/166078501.db2.gz	DUKCJVHWFLAWQA-WDEREUQCSA-N	0	0	198.331	3.007	10	0		AGAERN
C1=CO[C@@H](c2ccccc2)CC1	39199621	166078559	/nfs/dbraw/zinc/07/85/59/166078559.db2.gz	XBICAVJSPSLHFO-LLVKDONJSA-N	0	0	160.216	3.052	10	0		AGAERN
C1=Cc2c(ccc3ccoc23)C1	39136329	166079132	/nfs/dbraw/zinc/07/91/32/166079132.db2.gz	QLNUYRSEAZNDIC-UHFFFAOYSA-N	0	0	156.184	3.002	10	0		AGAERN
C1=Cc2cc3ccoc3cc2C1	39136338	166079169	/nfs/dbraw/zinc/07/91/69/166079169.db2.gz	AYPVNGCJIWDWIJ-UHFFFAOYSA-N	0	0	156.184	3.002	10	0		AGAERN
C1=Cc2ccc3occc3c2C1	39136336	166079230	/nfs/dbraw/zinc/07/92/30/166079230.db2.gz	XHRBQPADKLGBCA-UHFFFAOYSA-N	0	0	156.184	3.002	10	0		AGAERN
C1=CC(C2=CCCCC2)C=C1	137961103	166079232	/nfs/dbraw/zinc/07/92/32/166079232.db2.gz	LNKUXKOXBVNCCK-UHFFFAOYSA-N	0	0	145.225	3.187	10	0		AGAERN
C1=Cc2cc3occc3cc2C1	39136337	166079251	/nfs/dbraw/zinc/07/92/51/166079251.db2.gz	RXQXHMHSLHSSFX-UHFFFAOYSA-N	0	0	156.184	3.002	10	0		AGAERN
C1=Cc2ccc(-c3nccs3)cc2C1	21300531	166079294	/nfs/dbraw/zinc/07/92/94/166079294.db2.gz	BVINYGPPSVTBIT-UHFFFAOYSA-N	0	0	199.278	3.379	10	0		AGAERN
C1=Cc2ccccc2C=CC1	64624285	166079452	/nfs/dbraw/zinc/07/94/52/166079452.db2.gz	AATMCCVYMZDTCD-UHFFFAOYSA-N	0	0	142.201	3.117	10	0	in-vitro	AGAERN
C1=Cc2ccc3ccoc3c2C1	39136335	166079647	/nfs/dbraw/zinc/07/96/47/166079647.db2.gz	GLLGIRWEYMVHLB-UHFFFAOYSA-N	0	0	156.184	3.002	10	0		AGAERN
C1=C[C@H]2C[C@@H]1C[C@H]2CNc1ccccc1	37186078	166079757	/nfs/dbraw/zinc/07/97/57/166079757.db2.gz	GTZPXNKIRYPRGU-AGIUHOORSA-N	0	0	199.297	3.311	10	0		AGAERN
C1=C[C@H](SC[C@H]2CCCO2)CCC1	306153261	166079991	/nfs/dbraw/zinc/07/99/91/166079991.db2.gz	DUKCJVHWFLAWQA-MNOVXSKESA-N	0	0	198.331	3.007	10	0		AGAERN
C1=C[C@H]2C[C@@H]1C[C@@H]2CNc1ccccc1	37186079	166080016	/nfs/dbraw/zinc/08/00/16/166080016.db2.gz	GTZPXNKIRYPRGU-FRRDWIJNSA-N	0	0	199.297	3.311	10	0		AGAERN
C1=Cc2c(oc3ccccc23)C1	39136458	166080087	/nfs/dbraw/zinc/08/00/87/166080087.db2.gz	NZMBLYZNBJURLH-UHFFFAOYSA-N	0	0	156.184	3.002	10	0		AGAERN
C1=C[C@H](SC[C@@H]2CCCO2)CCC1	306153263	166080186	/nfs/dbraw/zinc/08/01/86/166080186.db2.gz	DUKCJVHWFLAWQA-QWRGUYRKSA-N	0	0	198.331	3.007	10	0		AGAERN
C1=Cc2cccc3occ(c23)C1	39136341	166080248	/nfs/dbraw/zinc/08/02/48/166080248.db2.gz	GJZOARLGJAUVJY-UHFFFAOYSA-N	0	0	156.184	3.002	10	0		AGAERN
C1=Cc2c(ccc3ccccc23)C1	66312899	166080296	/nfs/dbraw/zinc/08/02/96/166080296.db2.gz	USPJQUFZLZTSBK-UHFFFAOYSA-N	0	0	166.223	3.409	10	0		AGAERN
C1=Cc2oc3ccccc3c2C1	39136459	166081585	/nfs/dbraw/zinc/08/15/85/166081585.db2.gz	HYGDHSYCSJKRFX-UHFFFAOYSA-N	0	0	156.184	3.002	10	0		AGAERN
C1=Nc2ccccc2Cc2ccccc21	49036884	166084352	/nfs/dbraw/zinc/08/43/52/166084352.db2.gz	IDWNSAXOQLJYOF-UHFFFAOYSA-N	0	0	193.249	3.341	10	0	in-vitro	AGAERN
C1CCC(C[C@H]2CCCO2)CC1	80438156	166087999	/nfs/dbraw/zinc/08/79/99/166087999.db2.gz	XZGVQTNVMLWEMJ-LLVKDONJSA-N	0	0	168.280	3.136	10	0		AGAERN
C1CCC(C[C@@H]2CCCO2)CC1	80438149	166088539	/nfs/dbraw/zinc/08/85/39/166088539.db2.gz	XZGVQTNVMLWEMJ-NSHDSACASA-N	0	0	168.280	3.136	10	0		AGAERN
C1CCC2(CC1)CCC2	2583681	166089037	/nfs/dbraw/zinc/08/90/37/166089037.db2.gz	VMWOETMUNAQFAX-UHFFFAOYSA-N	0	0	124.227	3.121	10	0		AGAERN
C1CCCC2(CCC1)CCOC2	1847634	166089611	/nfs/dbraw/zinc/08/96/11/166089611.db2.gz	AMEKYLXXSLTPSU-UHFFFAOYSA-N	0	0	168.280	3.137	10	0		AGAERN
C1CCC2(C1)CCC1(CCCC1)O2	39111985	166090304	/nfs/dbraw/zinc/09/03/04/166090304.db2.gz	YMHSDIRTXIEOLV-UHFFFAOYSA-N	0	0	180.291	3.422	10	0		AGAERN
C1CC[C@@H]2CCCS[C@H]2C1	32136638	166094000	/nfs/dbraw/zinc/09/40/00/166094000.db2.gz	ILOILTHGYLSHSI-BDAKNGLRSA-N	0	0	156.294	3.072	10	0		AGAERN
C1CC[C@H]2SCCC[C@H]2C1	32136639	166094124	/nfs/dbraw/zinc/09/41/24/166094124.db2.gz	ILOILTHGYLSHSI-RKDXNWHRSA-N	0	0	156.294	3.072	10	0		AGAERN
C1CCc2c(oc3c2CCCC3)C1	2004518	166094457	/nfs/dbraw/zinc/09/44/57/166094457.db2.gz	JVIONGJDHOSXDV-UHFFFAOYSA-N	0	0	176.259	3.037	10	0		AGAERN
C1CC[C@H]2SCCC[C@@H]2C1	32136637	166094977	/nfs/dbraw/zinc/09/49/77/166094977.db2.gz	ILOILTHGYLSHSI-DTWKUNHWSA-N	0	0	156.294	3.072	10	0		AGAERN
C1C[C@@H]2[C@H]3C[C@H]3CCC[C@@H]2C1	257017168	166106152	/nfs/dbraw/zinc/10/61/52/166106152.db2.gz	CGUGPMAPEOABBN-ZNSHCXBVSA-N	0	0	150.265	3.223	10	0		AGAERN
C1C[C@H]2C[C@@H]2[C@H]2CCC[C@H]2C1	257017167	166108910	/nfs/dbraw/zinc/10/89/10/166108910.db2.gz	CGUGPMAPEOABBN-RCWTZXSCSA-N	0	0	150.265	3.223	10	0		AGAERN
C1C[C@H]2[C@@H](C1)CCC[C@@H]1C[C@@H]21	257017166	166109556	/nfs/dbraw/zinc/10/95/56/166109556.db2.gz	CGUGPMAPEOABBN-CHWFTXMASA-N	0	0	150.265	3.223	10	0		AGAERN
C=C(c1ccccc1)c1ccccn1	5137895	166138595	/nfs/dbraw/zinc/13/85/95/166138595.db2.gz	WLFQFTSISRWCNV-UHFFFAOYSA-N	0	0	181.238	3.143	10	0		AGAERN
C=C(F)C(Br)=C1CCC1	196121757	166139767	/nfs/dbraw/zinc/13/97/67/166139767.db2.gz	VOLPKSVDTJYHBV-UHFFFAOYSA-N	0	0	191.043	3.303	10	0		AGAERN
C=C(Cl)c1ccc(F)cc1	65739273	166140173	/nfs/dbraw/zinc/14/01/73/166140173.db2.gz	DFLQKEFEHSBSBK-UHFFFAOYSA-N	0	0	156.587	3.035	10	0	in-vitro	AGAERN
C=C/C=C(/OCC)C1CCCC1	216715824	166141103	/nfs/dbraw/zinc/14/11/03/166141103.db2.gz	MAVDAHNNNZHHMZ-YRNVUSSQSA-N	0	0	166.264	3.283	10	0		AGAERN
C=C/C(C)=C/C1CCCC1	306120605	166141150	/nfs/dbraw/zinc/14/11/50/166141150.db2.gz	IOXRITSVKOOJQG-CMDGGOBGSA-N	0	0	136.238	3.309	10	0		AGAERN
C=C/C=C/C[Si](C)(C)C	195962987	166141901	/nfs/dbraw/zinc/14/19/01/166141901.db2.gz	ZFPBFBJPENLNKQ-VOTSOKGWSA-N	0	0	140.302	3.067	10	0		AGAERN
C=C/C(C)=C\CCC(C)(C)OC(C)=O	2166753	166142060	/nfs/dbraw/zinc/14/20/60/166142060.db2.gz	JAVBVYXSVDXAQK-NTMALXAHSA-N	0	0	196.290	3.241	10	0		AGAERN
C=C1/C=C\CCCC/C=C/1	71785370	166142348	/nfs/dbraw/zinc/14/23/48/166142348.db2.gz	ISHONFPPNRMYIQ-MKKAVFGOSA-N	0	0	134.222	3.229	10	0		AGAERN
C=C/C(C)=C\CC=C(C)C	1531619	166142413	/nfs/dbraw/zinc/14/24/13/166142413.db2.gz	IHPKGUQCSIINRJ-NTMALXAHSA-N	0	0	136.238	3.475	10	0	endogenous,in-man	AGAERN
C=C/C=C/CCc1ccccc1	96675599	166142555	/nfs/dbraw/zinc/14/25/55/166142555.db2.gz	IXBHYZXSUSMOPF-ONEGZZNKSA-N	0	0	158.244	3.361	10	0		AGAERN
C=C=CC[C@H](CC)C(=O)CCC	205080137	166152366	/nfs/dbraw/zinc/15/23/66/166152366.db2.gz	HCWUDEVXZCBITH-JTQLQIEISA-N	0	0	166.264	3.113	10	0		AGAERN
C=C=CC[C@@H](CC)C(=O)CCC	205080154	166152839	/nfs/dbraw/zinc/15/28/39/166152839.db2.gz	HCWUDEVXZCBITH-SNVBAGLBSA-N	0	0	166.264	3.113	10	0		AGAERN
C=C=Cc1cnc2ccccc2c1	38312297	166152857	/nfs/dbraw/zinc/15/28/57/166152857.db2.gz	FRJMNJPHDKNTQW-UHFFFAOYSA-N	0	0	167.211	3.033	10	0		AGAERN
C=C=Cc1nc2ccccc2s1	45236920	166152888	/nfs/dbraw/zinc/15/28/88/166152888.db2.gz	FCIUVFATJSRWOI-UHFFFAOYSA-N	0	0	173.240	3.094	10	0		AGAERN
C=CC(=O)O[C@H](CC)CCCCC	34741849	166158440	/nfs/dbraw/zinc/15/84/40/166158440.db2.gz	DNPFOADIPJWGQH-SNVBAGLBSA-N	0	0	184.279	3.075	10	0		AGAERN
C=CC(=O)O[C@@H](CC)CCCCC	34741850	166158762	/nfs/dbraw/zinc/15/87/62/166158762.db2.gz	DNPFOADIPJWGQH-JTQLQIEISA-N	0	0	184.279	3.075	10	0		AGAERN
C=CC1=CCCc2cc(F)ccc21	100034102	166160663	/nfs/dbraw/zinc/16/06/63/166160663.db2.gz	WDMWOBAWOWTHKA-UHFFFAOYSA-N	0	0	174.218	3.341	10	0		AGAERN
C=CC1=Cc2cc(OC)ccc2CC1	21987559	166162452	/nfs/dbraw/zinc/16/24/52/166162452.db2.gz	NOIJYCCWVDEJGF-UHFFFAOYSA-N	0	0	186.254	3.211	10	0		AGAERN
C=CC1=CC[C@H]2C[C@@H]1C2(C)C	1701852	166162762	/nfs/dbraw/zinc/16/27/62/166162762.db2.gz	HSBGCCSTQMHQPR-UWVGGRQHSA-N	0	0	148.249	3.165	10	0		AGAERN
C1=Cc2coc3cccc(c23)C1	39136324	166082014	/nfs/dbraw/zinc/08/20/14/166082014.db2.gz	CIDVJRXIIWLKQI-UHFFFAOYSA-N	0	0	156.184	3.002	10	0		AGAERN
C=CC[C@@H](C)/C=C(C)/C=C/C(C)=O	2504655	166198195	/nfs/dbraw/zinc/19/81/95/166198195.db2.gz	IXZWQDWXMZBAEO-SDNMUHDLSA-N	0	0	178.275	3.290	10	0		AGAERN
C=CNc1ccc(C(C)C)cc1	100135909	166210793	/nfs/dbraw/zinc/21/07/93/166210793.db2.gz	IANLXZUYRBBOBI-UHFFFAOYSA-N	0	0	161.248	3.365	10	0		AGAERN
C=COc1cc(C)c2ccccc2n1	12930713	166211621	/nfs/dbraw/zinc/21/16/21/166211621.db2.gz	PRSLSRWCPPYRDL-UHFFFAOYSA-N	0	0	185.226	3.066	10	0		AGAERN
C=COc1cc(C)nc2ccccc12	33865927	166211726	/nfs/dbraw/zinc/21/17/26/166211726.db2.gz	TULIIJLKTRPTHY-UHFFFAOYSA-N	0	0	185.226	3.066	10	0		AGAERN
C=CP(=O)(CCC)CCC	2391308	166211909	/nfs/dbraw/zinc/21/19/09/166211909.db2.gz	KAHVEHJPQAENDK-UHFFFAOYSA-N	0	0	160.197	3.313	10	0		AGAERN
C=COc1ccc2ccccc2c1	39189685	166211935	/nfs/dbraw/zinc/21/19/35/166211935.db2.gz	PKPRFDCXDDAYLF-UHFFFAOYSA-N	0	0	170.211	3.362	10	0		AGAERN
C=COc1cccc2ccccc12	14612348	166211961	/nfs/dbraw/zinc/21/19/61/166211961.db2.gz	OHSFPBQPZFLOKE-UHFFFAOYSA-N	0	0	170.211	3.362	10	0		AGAERN
C=COc1ccccc1C(C)C	39103840	166212081	/nfs/dbraw/zinc/21/20/81/166212081.db2.gz	FPCXSBBSDRUIAD-UHFFFAOYSA-N	0	0	162.232	3.332	10	0		AGAERN
C=COC(=O)c1ccc2ccccc2c1	39363508	166212185	/nfs/dbraw/zinc/21/21/85/166212185.db2.gz	FCYBZOOROZJDKE-UHFFFAOYSA-N	0	0	198.221	3.140	10	0		AGAERN
C=Cc1ccc(CSC(C)=O)cc1	2572044	166222337	/nfs/dbraw/zinc/22/23/37/166222337.db2.gz	WRDHFWUNTCUDCY-UHFFFAOYSA-N	0	0	192.283	3.109	10	0		AGAERN
C=Cc1cc2ccccc2o1	32188525	166223113	/nfs/dbraw/zinc/22/31/13/166223113.db2.gz	HVFZVIHIJNLIED-UHFFFAOYSA-N	0	0	144.173	3.076	10	0		AGAERN
C=Cc1ccc(Br)s1	37625020	166223223	/nfs/dbraw/zinc/22/32/23/166223223.db2.gz	WJSIEDBETVAKKL-UHFFFAOYSA-N	0	0	189.077	3.154	10	0		AGAERN
C=Cc1ccc(O)c(C(C)C)c1	39103837	166223230	/nfs/dbraw/zinc/22/32/30/166223230.db2.gz	TZSPJKGLTHZUOC-UHFFFAOYSA-N	0	0	162.232	3.159	10	0		AGAERN
C=Cc1ccc2sc(C)nc2c1	45237930	166223231	/nfs/dbraw/zinc/22/32/31/166223231.db2.gz	NABJKZAXQMYQAK-UHFFFAOYSA-N	0	0	175.256	3.248	10	0		AGAERN
C=Cc1ccc(OCCC)cc1	35975626	166223243	/nfs/dbraw/zinc/22/32/43/166223243.db2.gz	HYKOKFYURVJHKT-UHFFFAOYSA-N	0	0	162.232	3.118	10	0		AGAERN
C=Cc1cccc(OC)c1OC(C)C	39148368	166223246	/nfs/dbraw/zinc/22/32/46/166223246.db2.gz	LDYKABGDWQNEKF-UHFFFAOYSA-N	0	0	192.258	3.125	10	0		AGAERN
C=Cc1ccc(Cl)s1	34079631	166223313	/nfs/dbraw/zinc/22/33/13/166223313.db2.gz	IYYOHZIPWKWCJC-UHFFFAOYSA-N	0	0	144.626	3.045	10	0		AGAERN
C=Cc1ccc(OC)c2ccccc12	15017084	166223331	/nfs/dbraw/zinc/22/33/31/166223331.db2.gz	UDBOTPBQDGDMHZ-UHFFFAOYSA-N	0	0	184.238	3.491	10	0		AGAERN
C=Cc1ccc(OC)c(OC(C)C)c1	44601822	166223369	/nfs/dbraw/zinc/22/33/69/166223369.db2.gz	LMHDEQSBUOSLEJ-UHFFFAOYSA-N	0	0	192.258	3.125	10	0		AGAERN
C=Cc1ccc(N)c(C(C)C)c1	39103756	166223439	/nfs/dbraw/zinc/22/34/39/166223439.db2.gz	ZDRVMHYBQQFWKH-UHFFFAOYSA-N	0	0	161.248	3.035	10	0		AGAERN
C=Cc1ccc2nc(C)sc2c1	45237928	166223482	/nfs/dbraw/zinc/22/34/82/166223482.db2.gz	CWEKIJPGXDKWNG-UHFFFAOYSA-N	0	0	175.256	3.248	10	0		AGAERN
C=Cc1coc2ccccc12	24429372	166223890	/nfs/dbraw/zinc/22/38/90/166223890.db2.gz	OTDJUJHDPZJTOB-UHFFFAOYSA-N	0	0	144.173	3.076	10	0		AGAERN
C=Cc1nc2ccccc2n2cccc12	28642387	166224146	/nfs/dbraw/zinc/22/41/46/166224146.db2.gz	PIUDTOPYIQMDAR-UHFFFAOYSA-N	0	0	194.237	3.131	10	0		AGAERN
C=Cn1cccc1-c1cccs1	249734	166224290	/nfs/dbraw/zinc/22/42/90/166224290.db2.gz	LYDFTEMGGYWUBK-UHFFFAOYSA-N	0	0	175.256	3.317	10	0		AGAERN
C=Cc1oc2ccccc2c1C	39136306	166224502	/nfs/dbraw/zinc/22/45/02/166224502.db2.gz	GDDVBGVJZBNKGC-UHFFFAOYSA-N	0	0	158.200	3.384	10	0		AGAERN
CC(=C=O)c1ccc(C(C)C)cc1	39104727	166229791	/nfs/dbraw/zinc/22/97/91/166229791.db2.gz	VXHDGPBSHDPIKB-UHFFFAOYSA-N	0	0	174.243	3.045	10	0		AGAERN
CC(=O)C(C)(C)c1ccc(Cl)cc1	2018325	166234793	/nfs/dbraw/zinc/23/47/93/166234793.db2.gz	BVYURCFIUPFFDK-UHFFFAOYSA-N	0	0	196.677	3.207	10	0		AGAERN
CC(=O)C/C=C\c1ccc(Cl)cc1	95935659	166235096	/nfs/dbraw/zinc/23/50/96/166235096.db2.gz	KQJYSTYIHFFJDW-RQOWECAXSA-N	0	0	194.661	3.332	10	0		AGAERN
CC(=O)C/C=C(/C)c1ccccc1	5159371	166235117	/nfs/dbraw/zinc/23/51/17/166235117.db2.gz	LZVVXQDWHWOTMR-NTMALXAHSA-N	0	0	174.243	3.069	10	0		AGAERN
CC(=O)C(C)(C)c1ccc(C)c(C)c1	71500796	166235267	/nfs/dbraw/zinc/23/52/67/166235267.db2.gz	ARBQIUFDTVQYRO-UHFFFAOYSA-N	0	0	190.286	3.170	10	0		AGAERN
CC(=O)C/C=C/c1ccc(Cl)cc1	21298248	166235383	/nfs/dbraw/zinc/23/53/83/166235383.db2.gz	KQJYSTYIHFFJDW-DUXPYHPUSA-N	0	0	194.661	3.332	10	0		AGAERN
CC(=O)C(C)(C)c1ccccc1Cl	71507433	166235397	/nfs/dbraw/zinc/23/53/97/166235397.db2.gz	ZVKUJVMAZQPARN-UHFFFAOYSA-N	0	0	196.677	3.207	10	0		AGAERN
CC(=O)C/C=C(\C)c1ccccc1	38613285	166235440	/nfs/dbraw/zinc/23/54/40/166235440.db2.gz	LZVVXQDWHWOTMR-CSKARUKUSA-N	0	0	174.243	3.069	10	0		AGAERN
CC(=O)C(C)(C)c1cc(C)ccc1C	71500792	166235597	/nfs/dbraw/zinc/23/55/97/166235597.db2.gz	AXRPOKRJJXKYCW-UHFFFAOYSA-N	0	0	190.286	3.170	10	0		AGAERN
CC(=O)C(C)(C)c1ccc(F)c(C)c1	71506748	166235609	/nfs/dbraw/zinc/23/56/09/166235609.db2.gz	XIMQZQNGWKBTLG-UHFFFAOYSA-N	0	0	194.249	3.001	10	0		AGAERN
CC(=O)C1(C)C(C)=C(C)C(C)=C1C	62718957	166235680	/nfs/dbraw/zinc/23/56/80/166235680.db2.gz	UUCAJBKZEZWITI-UHFFFAOYSA-N	0	0	178.275	3.268	10	0		AGAERN
CC(=O)C(C)(C)CCC(C)C	17549203	166235708	/nfs/dbraw/zinc/23/57/08/166235708.db2.gz	UKWYFDFVUMDZNG-UHFFFAOYSA-N	0	0	156.269	3.038	10	0		AGAERN
CC(=O)C(C)(C)c1ccc(C)cc1C	71500794	166235774	/nfs/dbraw/zinc/23/57/74/166235774.db2.gz	BAZIYJDAXZKOOS-UHFFFAOYSA-N	0	0	190.286	3.170	10	0		AGAERN
CC(=O)C1CCC(C(C)(C)C)CC1	32149878	166237081	/nfs/dbraw/zinc/23/70/81/166237081.db2.gz	YMGRIFHYJBXCDV-UHFFFAOYSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)CC(C)(C)CC(C)C	17412095	166238727	/nfs/dbraw/zinc/23/87/27/166238727.db2.gz	JSSNLVGKWKYOLY-UHFFFAOYSA-N	0	0	156.269	3.038	10	0		AGAERN
CC(=O)CC(C)(C)C(C)(C)C	17414263	166239003	/nfs/dbraw/zinc/23/90/03/166239003.db2.gz	CFEAMMVGPJLPHQ-UHFFFAOYSA-N	0	0	156.269	3.038	10	0		AGAERN
CC(=O)CC(C)(C)c1cccs1	11631282	166239006	/nfs/dbraw/zinc/23/90/06/166239006.db2.gz	WZDCHNAYALQKLZ-UHFFFAOYSA-N	0	0	182.288	3.005	10	0		AGAERN
CC(=O)CC[C@H](C)CC(C)(C)C	43502175	166241613	/nfs/dbraw/zinc/24/16/13/166241613.db2.gz	OIDKHXGSYZCRHN-VIFPVBQESA-N	0	0	170.296	3.428	10	0		AGAERN
CC(=O)CCCc1ccccc1Cl	41207438	166241869	/nfs/dbraw/zinc/24/18/69/166241869.db2.gz	BFOYXAKNTBFARD-UHFFFAOYSA-N	0	0	196.677	3.252	10	0		AGAERN
CC(=O)CC[C@@H](C)CC(C)(C)C	43502177	166242185	/nfs/dbraw/zinc/24/21/85/166242185.db2.gz	OIDKHXGSYZCRHN-SECBINFHSA-N	0	0	170.296	3.428	10	0		AGAERN
CC(=O)CCCc1cccc(Cl)c1	41207439	166242457	/nfs/dbraw/zinc/24/24/57/166242457.db2.gz	UZAAWPQCFUILCY-UHFFFAOYSA-N	0	0	196.677	3.252	10	0		AGAERN
CC(=O)CCCc1ccc(Cl)cc1	33978620	166242535	/nfs/dbraw/zinc/24/25/35/166242535.db2.gz	MGTUDQGDJPSJRA-UHFFFAOYSA-N	0	0	196.677	3.252	10	0		AGAERN
CC(=O)CCc1cccc(Cl)c1C	71507434	166243150	/nfs/dbraw/zinc/24/31/50/166243150.db2.gz	QSBWZRNUOXGYQZ-UHFFFAOYSA-N	0	0	196.677	3.170	10	0		AGAERN
CC(=O)CCc1ccc2ccccc2c1	1601986	166243792	/nfs/dbraw/zinc/24/37/92/166243792.db2.gz	ZGJUXLRCZXCYTO-UHFFFAOYSA-N	0	0	198.265	3.361	10	0		AGAERN
CC(=O)CCc1cc(Cl)ccc1C	71507435	166244069	/nfs/dbraw/zinc/24/40/69/166244069.db2.gz	BGJRYCMCRKRVFE-UHFFFAOYSA-N	0	0	196.677	3.170	10	0		AGAERN
CC(=O)CCc1c(C)cc(C)cc1C	53300325	166244363	/nfs/dbraw/zinc/24/43/63/166244363.db2.gz	JCKUGPUAHRBNRY-UHFFFAOYSA-N	0	0	190.286	3.133	10	0		AGAERN
CC(=O)CCc1cc(C)c(C)cc1C	82530367	166244564	/nfs/dbraw/zinc/24/45/64/166244564.db2.gz	JUTGXFGMWYGUCQ-UHFFFAOYSA-N	0	0	190.286	3.133	10	0		AGAERN
CC(=O)CCc1ccc(C)c(Cl)c1	71507437	166244808	/nfs/dbraw/zinc/24/48/08/166244808.db2.gz	ULLHSTWHSUHDNT-UHFFFAOYSA-N	0	0	196.677	3.170	10	0		AGAERN
CC(=O)CCc1cccc2ccccc12	5196571	166245221	/nfs/dbraw/zinc/24/52/21/166245221.db2.gz	VEYCCHNUJNXSRR-UHFFFAOYSA-N	0	0	198.265	3.361	10	0		AGAERN
CC(=O)CCc1ccc(Cl)cc1C	71507436	166245269	/nfs/dbraw/zinc/24/52/69/166245269.db2.gz	DEBMIQHGNIHNIS-UHFFFAOYSA-N	0	0	196.677	3.170	10	0		AGAERN
CC(=O)Cc1c(C)c(C)cc(C)c1C	43502161	166246768	/nfs/dbraw/zinc/24/67/68/166246768.db2.gz	IQGCWEVYMZSCLH-UHFFFAOYSA-N	0	0	190.286	3.052	10	0		AGAERN
CC(=O)Cc1cc(C(C)C)ccc1C	82588409	166246830	/nfs/dbraw/zinc/24/68/30/166246830.db2.gz	RRCBTNOKGAYRHH-UHFFFAOYSA-N	0	0	190.286	3.250	10	0		AGAERN
CC(=O)Cc1ccc(CC(C)C)cc1	39410312	166246867	/nfs/dbraw/zinc/24/68/67/166246867.db2.gz	DQVSPHVDHURYLJ-UHFFFAOYSA-N	0	0	190.286	3.017	10	0		AGAERN
CC(=O)C[C@H]1CCCc2ccccc21	34247025	166248109	/nfs/dbraw/zinc/24/81/09/166248109.db2.gz	JRHRLCGEHYWREQ-GFCCVEGCSA-N	0	0	188.270	3.086	10	0		AGAERN
CC(=O)Cc1ccc2sccc2c1	89195357	166249635	/nfs/dbraw/zinc/24/96/35/166249635.db2.gz	UCGIMEFPSQVFLY-UHFFFAOYSA-N	0	0	190.267	3.033	10	0		AGAERN
CC(=O)Cc1csc2ccccc12	39318882	166249748	/nfs/dbraw/zinc/24/97/48/166249748.db2.gz	JITNUEBWHPLVPV-UHFFFAOYSA-N	0	0	190.267	3.033	10	0		AGAERN
CC(=O)O/C=C1/C(C)=CCCC1(C)C	1481040	166287526	/nfs/dbraw/zinc/28/75/26/166287526.db2.gz	VUUTWRQEWRXJAS-FLIBITNWSA-N	0	0	194.274	3.200	10	0		AGAERN
CC(=O)O/C=C(/C)[C@@H]1CC=C(C)CC1	31318139	166287531	/nfs/dbraw/zinc/28/75/31/166287531.db2.gz	CKITWLJZALNJDV-VPUINMBXSA-N	0	0	194.274	3.200	10	0		AGAERN
CC(=O)O/C=C(\C)[C@H]1CC=C(C)CC1	5457510	166287537	/nfs/dbraw/zinc/28/75/37/166287537.db2.gz	CKITWLJZALNJDV-OANVXVOSSA-N	0	0	194.274	3.200	10	0		AGAERN
CC(=O)O/C=C(\C)[C@@H]1CC=C(C)CC1	5457615	166287593	/nfs/dbraw/zinc/28/75/93/166287593.db2.gz	CKITWLJZALNJDV-ZJNQMXKESA-N	0	0	194.274	3.200	10	0		AGAERN
CC(=O)O/C=C(/C)[C@H]1CC=C(C)CC1	5457516	166287634	/nfs/dbraw/zinc/28/76/34/166287634.db2.gz	CKITWLJZALNJDV-CUZBXDDWSA-N	0	0	194.274	3.200	10	0		AGAERN
CC(=O)O[C@@H]1C[C@H](C(C)C)CC[C@@H]1C	90759965	166290311	/nfs/dbraw/zinc/29/03/11/166290311.db2.gz	JAKFDYGDDRCJLY-MVWJERBFSA-N	0	0	198.306	3.010	10	0		AGAERN
CC(=O)O[C@@H]1C[C@H](C(C)C)CC[C@H]1C	6031083	166290448	/nfs/dbraw/zinc/29/04/48/166290448.db2.gz	JAKFDYGDDRCJLY-YUSALJHKSA-N	0	0	198.306	3.010	10	0		AGAERN
CC(=O)O[C@@H](C)[C@H](C)CCC=C(C)C	5751254	166290675	/nfs/dbraw/zinc/29/06/75/166290675.db2.gz	ZUFHJEXSOHWOKU-MNOVXSKESA-N	0	0	198.306	3.321	10	0		AGAERN
CC(=O)O[C@@H](C)[C@@H](C)CCC=C(C)C	5734948	166290780	/nfs/dbraw/zinc/29/07/80/166290780.db2.gz	ZUFHJEXSOHWOKU-QWRGUYRKSA-N	0	0	198.306	3.321	10	0		AGAERN
CC(=O)O[C@@H]1CCC[C@H](C(C)(C)C)C1	5438138	166290885	/nfs/dbraw/zinc/29/08/85/166290885.db2.gz	NHUNEDUXIBOQML-WDEREUQCSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(=O)O[C@@H](C)[C@@H]1CCCC(C)(C)C1	2559097	166290898	/nfs/dbraw/zinc/29/08/98/166290898.db2.gz	YWVSYRJWCROMKO-GXSJLCMTSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(=O)O[C@@H](C)[C@H]1CCCC(C)(C)C1	6030236	166291198	/nfs/dbraw/zinc/29/11/98/166291198.db2.gz	YWVSYRJWCROMKO-ONGXEEELSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(=O)O[C@H]1CC[C@H](C(C)(C)C)CC1	111855945	166291488	/nfs/dbraw/zinc/29/14/88/166291488.db2.gz	MBZRJSQZCBXRGK-PHIMTYICSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(=O)O[C@@H]1CCC[C@@H](C(C)(C)C)C1	5438139	166291676	/nfs/dbraw/zinc/29/16/76/166291676.db2.gz	NHUNEDUXIBOQML-GHMZBOCLSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(=O)O[C@H]1CCC[C@H](C(C)(C)C)C1	5438202	166292143	/nfs/dbraw/zinc/29/21/43/166292143.db2.gz	NHUNEDUXIBOQML-QWRGUYRKSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(=O)O[C@H](C)[C@H]1CCCC(C)(C)C1	6037018	166292263	/nfs/dbraw/zinc/29/22/63/166292263.db2.gz	YWVSYRJWCROMKO-KOLCDFICSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(=O)O[C@H](C)[C@@H]1CCCC(C)(C)C1	6036941	166292398	/nfs/dbraw/zinc/29/23/98/166292398.db2.gz	YWVSYRJWCROMKO-MWLCHTKSSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(=O)O[C@H]1CCC[C@@H](C(C)(C)C)C1	5438204	166292453	/nfs/dbraw/zinc/29/24/53/166292453.db2.gz	NHUNEDUXIBOQML-MNOVXSKESA-N	0	0	198.306	3.154	10	0		AGAERN
CC(=O)O[C@H](C)[C@H](C)CCC=C(C)C	5751252	166293525	/nfs/dbraw/zinc/29/35/25/166293525.db2.gz	ZUFHJEXSOHWOKU-GHMZBOCLSA-N	0	0	198.306	3.321	10	0		AGAERN
CC(=O)O[C@H](C)[C@@H](C)CCC=C(C)C	5734946	166293749	/nfs/dbraw/zinc/29/37/49/166293749.db2.gz	ZUFHJEXSOHWOKU-WDEREUQCSA-N	0	0	198.306	3.321	10	0		AGAERN
CC(=O)[C@@H](C)CCCC(C)C	2131648	166296080	/nfs/dbraw/zinc/29/60/80/166296080.db2.gz	OYPPRIFJCRJKLW-VIFPVBQESA-N	0	0	156.269	3.038	10	0		AGAERN
CC(=O)[C@@H](C)CCC(C)(C)C	49255510	166296130	/nfs/dbraw/zinc/29/61/30/166296130.db2.gz	SJVRDCJNCIPXOK-QMMMGPOBSA-N	0	0	156.269	3.038	10	0		AGAERN
CC(=O)[C@@H](C)Cc1cc(C)cc(C)c1	38076941	166297296	/nfs/dbraw/zinc/29/72/96/166297296.db2.gz	CKJXQNNVUBZCAM-NSHDSACASA-N	0	0	190.286	3.071	10	0		AGAERN
CC(=O)[C@@H](C)Cc1cc(C)ccc1C	41205060	166297515	/nfs/dbraw/zinc/29/75/15/166297515.db2.gz	AUBPRYGEXCASCI-NSHDSACASA-N	0	0	190.286	3.071	10	0		AGAERN
CC(=O)[C@@H](C)Cc1cccc(Cl)c1	37947257	166298133	/nfs/dbraw/zinc/29/81/33/166298133.db2.gz	LTTYOQKEZABRQO-QMMMGPOBSA-N	0	0	196.677	3.108	10	0		AGAERN
CC(=O)[C@@H](C)Cc1ccc(Cl)cc1	37947255	166298186	/nfs/dbraw/zinc/29/81/86/166298186.db2.gz	PPFQLGFSWPJTGJ-QMMMGPOBSA-N	0	0	196.677	3.108	10	0		AGAERN
CC(=O)[C@@H](C)Cc1ccc(C)cc1C	41205063	166298230	/nfs/dbraw/zinc/29/82/30/166298230.db2.gz	ZKIWOIHILGDBCF-JTQLQIEISA-N	0	0	190.286	3.071	10	0		AGAERN
CC(=O)[C@@H](C)Cc1ccccc1Cl	37947261	166298952	/nfs/dbraw/zinc/29/89/52/166298952.db2.gz	CSLGUUGVIZTPGL-QMMMGPOBSA-N	0	0	196.677	3.108	10	0		AGAERN
CC(=O)[C@@H](CC(C)C)c1ccccc1	39410199	166299278	/nfs/dbraw/zinc/29/92/78/166299278.db2.gz	ZKEQCFAVZIDBCV-CYBMUJFWSA-N	0	0	190.286	3.405	10	0		AGAERN
CC(=O)[C@@H](C)Cc1ccc(C)c(C)c1	49668918	166299775	/nfs/dbraw/zinc/29/97/75/166299775.db2.gz	SQHLABNZFFFNSU-NSHDSACASA-N	0	0	190.286	3.071	10	0		AGAERN
CC(=O)[C@@H](CC=C(C)C)C(C)C	61687857	166299802	/nfs/dbraw/zinc/29/98/02/166299802.db2.gz	JEPGZHOBQGZKGV-NSHDSACASA-N	0	0	168.280	3.204	10	0		AGAERN
CC(=O)[C@@H]1CCCC[C@H]1C(C)C	39072287	166300790	/nfs/dbraw/zinc/30/07/90/166300790.db2.gz	BAXRJFFKEPCTFF-QWRGUYRKSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)[C@@H]1CC[C@@H](C(C)(C)C)C1	39072402	166300899	/nfs/dbraw/zinc/30/08/99/166300899.db2.gz	MSQFZTUDVYIFBT-NXEZZACHSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)[C@@H]1CC[C@H](C(C)(C)C)C1	39072404	166301510	/nfs/dbraw/zinc/30/15/10/166301510.db2.gz	MSQFZTUDVYIFBT-ZJUUUORDSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)[C@@H]1C[C@@H](C(C)C)CC=C1C	33606284	166302043	/nfs/dbraw/zinc/30/20/43/166302043.db2.gz	JKBPVNRFABYKGU-NWDGAFQWSA-N	0	0	180.291	3.204	10	0		AGAERN
CC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1	5735912	166302598	/nfs/dbraw/zinc/30/25/98/166302598.db2.gz	ALVCXKYZMQCATP-PSASIEDQSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	43502020	166303001	/nfs/dbraw/zinc/30/30/01/166303001.db2.gz	DBPLRLXFFUKDDB-SCVCMEIPSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	39072281	166303015	/nfs/dbraw/zinc/30/30/15/166303015.db2.gz	RUPLXQJJFFMCOX-LDYMZIIASA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)[C@@H]1[C@@H](C)CCCC1(C)C	38301596	166303077	/nfs/dbraw/zinc/30/30/77/166303077.db2.gz	LGEFCQRTSXYJAD-WPRPVWTQSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1	5752167	166304009	/nfs/dbraw/zinc/30/40/09/166304009.db2.gz	ALVCXKYZMQCATP-WCBMZHEXSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)[C@@H]1C[C@H](C(C)C)CC=C1C	100356276	166304478	/nfs/dbraw/zinc/30/44/78/166304478.db2.gz	JKBPVNRFABYKGU-VXGBXAGGSA-N	0	0	180.291	3.204	10	0		AGAERN
CC(=O)[C@@H]1[C@H](C)CCCC1(C)C	6030812	166304738	/nfs/dbraw/zinc/30/47/38/166304738.db2.gz	LGEFCQRTSXYJAD-SCZZXKLOSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)[C@@]1(C)CC[C@H](C)C1(C)C	39072283	166304760	/nfs/dbraw/zinc/30/47/60/166304760.db2.gz	RUPLXQJJFFMCOX-GZMMTYOYSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)[C@@H]1Cc2cccc3cccc1c23	62720359	166304874	/nfs/dbraw/zinc/30/48/74/166304874.db2.gz	RYVVCDVZVDRHMR-ZDUSSCGKSA-N	0	0	196.249	3.069	10	0		AGAERN
CC(=O)[C@H](C)Cc1cc(C)ccc1C	41205059	166305139	/nfs/dbraw/zinc/30/51/39/166305139.db2.gz	AUBPRYGEXCASCI-LLVKDONJSA-N	0	0	190.286	3.071	10	0		AGAERN
CC(=O)[C@H](C)Cc1cc(C)cc(C)c1	38076940	166305200	/nfs/dbraw/zinc/30/52/00/166305200.db2.gz	CKJXQNNVUBZCAM-LLVKDONJSA-N	0	0	190.286	3.071	10	0		AGAERN
CC(=O)[C@H](C)Cc1ccccc1Cl	37947262	166305657	/nfs/dbraw/zinc/30/56/57/166305657.db2.gz	CSLGUUGVIZTPGL-MRVPVSSYSA-N	0	0	196.677	3.108	10	0		AGAERN
CC(=O)[C@H](CC(C)C)c1ccccc1	39410200	166305668	/nfs/dbraw/zinc/30/56/68/166305668.db2.gz	ZKEQCFAVZIDBCV-ZDUSSCGKSA-N	0	0	190.286	3.405	10	0		AGAERN
CC(=O)[C@H](C)Cc1ccc(C)c(C)c1	49668917	166306077	/nfs/dbraw/zinc/30/60/77/166306077.db2.gz	SQHLABNZFFFNSU-LLVKDONJSA-N	0	0	190.286	3.071	10	0		AGAERN
CC(=O)[C@H](CC=C(C)C)C(C)C	61687856	166306428	/nfs/dbraw/zinc/30/64/28/166306428.db2.gz	JEPGZHOBQGZKGV-LLVKDONJSA-N	0	0	168.280	3.204	10	0		AGAERN
CC(=O)[C@H](C)CCC(C)(C)C	49255513	166306530	/nfs/dbraw/zinc/30/65/30/166306530.db2.gz	SJVRDCJNCIPXOK-MRVPVSSYSA-N	0	0	156.269	3.038	10	0		AGAERN
CC(=O)[C@H](C)Cc1ccc(C)cc1C	41205062	166306571	/nfs/dbraw/zinc/30/65/71/166306571.db2.gz	ZKIWOIHILGDBCF-SNVBAGLBSA-N	0	0	190.286	3.071	10	0		AGAERN
CC(=O)[C@H](C)Cc1ccc(Cl)cc1	37947256	166306778	/nfs/dbraw/zinc/30/67/78/166306778.db2.gz	PPFQLGFSWPJTGJ-MRVPVSSYSA-N	0	0	196.677	3.108	10	0		AGAERN
CC(=O)[C@H](C)Cc1cccc(Cl)c1	37947258	166306781	/nfs/dbraw/zinc/30/67/81/166306781.db2.gz	LTTYOQKEZABRQO-MRVPVSSYSA-N	0	0	196.677	3.108	10	0		AGAERN
CC(=O)[C@H](C)CCCC(C)C	2131646	166307258	/nfs/dbraw/zinc/30/72/58/166307258.db2.gz	OYPPRIFJCRJKLW-SECBINFHSA-N	0	0	156.269	3.038	10	0		AGAERN
CC(=O)[C@H]1C[C@H](C)CC(C)(C)C1	5752117	166310699	/nfs/dbraw/zinc/31/06/99/166310699.db2.gz	ALVCXKYZMQCATP-WPRPVWTQSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)[C@]1(C)CC[C@@H](C)C1(C)C	39072277	166310727	/nfs/dbraw/zinc/31/07/27/166310727.db2.gz	RUPLXQJJFFMCOX-KCJUWKMLSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)[C@H]1C[C@H]2CC[C@]1(C)C2(C)C	43502022	166310876	/nfs/dbraw/zinc/31/08/76/166310876.db2.gz	DBPLRLXFFUKDDB-FOGDFJRCSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(=O)[C@H]1[C@H](C)CCCC1(C)C	6030822	166310983	/nfs/dbraw/zinc/31/09/83/166310983.db2.gz	LGEFCQRTSXYJAD-PSASIEDQSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)[C@H]1C[C@H](C(C)C)CC=C1C	33606279	166311011	/nfs/dbraw/zinc/31/10/11/166311011.db2.gz	JKBPVNRFABYKGU-NEPJUHHUSA-N	0	0	180.291	3.204	10	0		AGAERN
CC(=O)[C@H]1C[C@H](C)CC[C@H]1C(C)C	8602892	166311424	/nfs/dbraw/zinc/31/14/24/166311424.db2.gz	NZAYQHZPWLDICW-ADEWGFFLSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(=O)[C@H]1C[C@@H](C(C)C)CC=C1C	33606281	166311901	/nfs/dbraw/zinc/31/19/01/166311901.db2.gz	JKBPVNRFABYKGU-RYUDHWBXSA-N	0	0	180.291	3.204	10	0		AGAERN
CC(=O)[C@H]1Cc2cccc3cccc1c23	62720360	166312009	/nfs/dbraw/zinc/31/20/09/166312009.db2.gz	RYVVCDVZVDRHMR-CYBMUJFWSA-N	0	0	196.249	3.069	10	0		AGAERN
CC(=O)[C@H]1[C@@H](C)CCCC1(C)C	33986388	166312181	/nfs/dbraw/zinc/31/21/81/166312181.db2.gz	LGEFCQRTSXYJAD-WCBMZHEXSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1	5735844	166312223	/nfs/dbraw/zinc/31/22/23/166312223.db2.gz	ALVCXKYZMQCATP-SCZZXKLOSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)c1c(C)cc(C)cc1Cl	57936395	166313512	/nfs/dbraw/zinc/31/35/12/166313512.db2.gz	XUSUSNHWUURUMZ-UHFFFAOYSA-N	0	0	182.650	3.159	10	0		AGAERN
CC(=O)c1c(C)ccc(C(C)C)c1O	75844568	166314487	/nfs/dbraw/zinc/31/44/87/166314487.db2.gz	UVTNWCZCZSMEMR-UHFFFAOYSA-N	0	0	192.258	3.027	10	0		AGAERN
CC(=O)c1c(C)cccc1C(C)C	57935944	166314630	/nfs/dbraw/zinc/31/46/30/166314630.db2.gz	PEUAATDRSNDJDP-UHFFFAOYSA-N	0	0	176.259	3.321	10	0		AGAERN
CC(=O)c1c(C)[nH]c(CC(C)C)c1C	12367616	166314687	/nfs/dbraw/zinc/31/46/87/166314687.db2.gz	ZHTXNCJBESRBQG-UHFFFAOYSA-N	0	0	193.290	3.033	10	0		AGAERN
CC(=O)c1cc(C(C)C)cs1	82401862	166317400	/nfs/dbraw/zinc/31/74/00/166317400.db2.gz	FNQSLUZLSAUUDA-UHFFFAOYSA-N	0	0	168.261	3.074	10	0		AGAERN
CC(=O)c1cc(C)cc(C(C)(C)C)c1	62719877	166317761	/nfs/dbraw/zinc/31/77/61/166317761.db2.gz	ZFALTZWVWLNMBS-UHFFFAOYSA-N	0	0	190.286	3.495	10	0		AGAERN
CC(=O)c1cc(F)cc2ccccc12	196285026	166318595	/nfs/dbraw/zinc/31/85/95/166318595.db2.gz	HPLWXFHJXSZQQK-UHFFFAOYSA-N	0	0	188.201	3.182	10	0		AGAERN
CC(=O)c1ccc(C(C)C)s1	59726232	166321230	/nfs/dbraw/zinc/32/12/30/166321230.db2.gz	QZKDDHAKBPMJHN-UHFFFAOYSA-N	0	0	168.261	3.074	10	0		AGAERN
CC(=O)c1cc2c(C)ccc(C)c2o1	40175355	166321246	/nfs/dbraw/zinc/32/12/46/166321246.db2.gz	YIMAEQKXRFKMSR-UHFFFAOYSA-N	0	0	188.226	3.252	10	0		AGAERN
CC(=O)c1cc2ccc(C)cc2s1	32220349	166321255	/nfs/dbraw/zinc/32/12/55/166321255.db2.gz	HPUJFKKAOHXIPD-UHFFFAOYSA-N	0	0	190.267	3.412	10	0		AGAERN
CC(=O)c1cc2cccc(C)c2s1	96865277	166321282	/nfs/dbraw/zinc/32/12/82/166321282.db2.gz	BEJANIMJAZXZIV-UHFFFAOYSA-N	0	0	190.267	3.412	10	0		AGAERN
CC(=O)c1cc2cc(F)ccc2s1	82893978	166321609	/nfs/dbraw/zinc/32/16/09/166321609.db2.gz	XQJDSNBCSANOCI-UHFFFAOYSA-N	0	0	194.230	3.243	10	0		AGAERN
CC(=O)c1cc2cccc(Cl)c2o1	37034696	166321656	/nfs/dbraw/zinc/32/16/56/166321656.db2.gz	DZZKLRZNIOWOGR-UHFFFAOYSA-N	0	0	194.617	3.289	10	0		AGAERN
CC(=O)c1cc2ccc(F)cc2s1	82893979	166321929	/nfs/dbraw/zinc/32/19/29/166321929.db2.gz	DCTRZFIHERNNOQ-UHFFFAOYSA-N	0	0	194.230	3.243	10	0		AGAERN
CC(=O)c1ccc(-c2ccoc2)cc1	68978258	166321963	/nfs/dbraw/zinc/32/19/63/166321963.db2.gz	RMNSVQUFLUWEKS-UHFFFAOYSA-N	0	0	186.210	3.149	10	0		AGAERN
CC(=O)c1cc2cc(C)ccc2s1	34079836	166322086	/nfs/dbraw/zinc/32/20/86/166322086.db2.gz	CMADALZRTDCKCP-UHFFFAOYSA-N	0	0	190.267	3.412	10	0		AGAERN
CC(=O)c1cc2cc(C)cc(C)c2o1	40175354	166322134	/nfs/dbraw/zinc/32/21/34/166322134.db2.gz	NTSDVXMQZZWWQY-UHFFFAOYSA-N	0	0	188.226	3.252	10	0		AGAERN
CC(=O)c1cc2c(cc1C)CCCC2	96331827	166322410	/nfs/dbraw/zinc/32/24/10/166322410.db2.gz	QYNXCTFWIOMFMX-UHFFFAOYSA-N	0	0	188.270	3.076	10	0		AGAERN
CC(=O)c1cc2ccc(Cl)cc2o1	82386949	166322593	/nfs/dbraw/zinc/32/25/93/166322593.db2.gz	RFLBWLBMAZYMDZ-UHFFFAOYSA-N	0	0	194.617	3.289	10	0		AGAERN
CC(=O)c1ccc(C(C)(C)C)s1	1698683	166322694	/nfs/dbraw/zinc/32/26/94/166322694.db2.gz	AHABAANUAYYPCC-UHFFFAOYSA-N	0	0	182.288	3.248	10	0		AGAERN
CC(=O)c1cc2c(C)cc(C)cc2o1	40175362	166322741	/nfs/dbraw/zinc/32/27/41/166322741.db2.gz	VOMFDTVNNBWNBT-UHFFFAOYSA-N	0	0	188.226	3.252	10	0		AGAERN
CC(=O)c1cc2ccc(C)c(C)c2o1	40175352	166322764	/nfs/dbraw/zinc/32/27/64/166322764.db2.gz	CSIYPFJAOMCHGE-UHFFFAOYSA-N	0	0	188.226	3.252	10	0		AGAERN
CC(=O)c1cc2[nH]ccc2cc1Cl	82893710	166322804	/nfs/dbraw/zinc/32/28/04/166322804.db2.gz	HKSIOKVFFMSYBL-UHFFFAOYSA-N	0	0	193.633	3.024	10	0		AGAERN
CC(=O)c1cc2ccsc2s1	5632258	166323109	/nfs/dbraw/zinc/32/31/09/166323109.db2.gz	GICOZXMGGYEODH-UHFFFAOYSA-N	0	0	182.269	3.165	10	0		AGAERN
CC(=O)c1ccc(C(C)(C)C)cc1C	33636995	166323320	/nfs/dbraw/zinc/32/33/20/166323320.db2.gz	CHQZPHMFRMBUTA-UHFFFAOYSA-N	0	0	190.286	3.495	10	0		AGAERN
CC(=O)c1ccc(F)c(C(C)C)c1	75838958	166323542	/nfs/dbraw/zinc/32/35/42/166323542.db2.gz	BBRVRNFDIZZTJN-UHFFFAOYSA-N	0	0	180.222	3.152	10	0		AGAERN
CC(=O)c1ccc2c(c1)CCC2(C)C	196264024	166325404	/nfs/dbraw/zinc/32/54/04/166325404.db2.gz	HVENCELDSVORNF-UHFFFAOYSA-N	0	0	188.270	3.113	10	0		AGAERN
CC(=O)c1ccc2c(C)c(C)oc2c1	33505687	166325413	/nfs/dbraw/zinc/32/54/13/166325413.db2.gz	HTPWVGOODBQAPY-UHFFFAOYSA-N	0	0	188.226	3.252	10	0		AGAERN
CC(=O)c1ccc2c(c1)CCCCC2	34463139	166326134	/nfs/dbraw/zinc/32/61/34/166326134.db2.gz	ORFOZCMRNPHBMF-UHFFFAOYSA-N	0	0	188.270	3.158	10	0		AGAERN
CC(=O)c1ccc(NC(C)(C)C)cc1	71505957	166326215	/nfs/dbraw/zinc/32/62/15/166326215.db2.gz	KVYQXKKCKHFSQD-UHFFFAOYSA-N	0	0	191.274	3.100	10	0		AGAERN
CC(=O)c1ccc2c(C)cccc2c1	4529374	166326288	/nfs/dbraw/zinc/32/62/88/166326288.db2.gz	NBXAUOVXJOGPFW-UHFFFAOYSA-N	0	0	184.238	3.351	10	0		AGAERN
CC(=O)c1cccc2c1C[C@H](C)CC2	22005062	166326873	/nfs/dbraw/zinc/32/68/73/166326873.db2.gz	JNPOHJRJSXNQKN-SECBINFHSA-N	0	0	188.270	3.014	10	0		AGAERN
CC(=O)c1ccc2ccc(C)cc2c1	28476693	166326927	/nfs/dbraw/zinc/32/69/27/166326927.db2.gz	BKIDFNNNXAJZLV-UHFFFAOYSA-N	0	0	184.238	3.351	10	0		AGAERN
CC(=O)c1cccc2c1CCCCC2	299889555	166327589	/nfs/dbraw/zinc/32/75/89/166327589.db2.gz	KYNLPWXHPIEPHI-UHFFFAOYSA-N	0	0	188.270	3.158	10	0		AGAERN
CC(=O)c1ccc2c(c1)[C@@H](C)CCC2	147860257	166327678	/nfs/dbraw/zinc/32/76/78/166327678.db2.gz	ZRZGMTDLENRWND-VIFPVBQESA-N	0	0	188.270	3.329	10	0		AGAERN
CC(=O)c1cccc2c1C[C@@H](C)CC2	22005066	166327689	/nfs/dbraw/zinc/32/76/89/166327689.db2.gz	JNPOHJRJSXNQKN-VIFPVBQESA-N	0	0	188.270	3.014	10	0		AGAERN
CC(=O)c1cccc(OC(C)(C)C)c1	33424751	166327781	/nfs/dbraw/zinc/32/77/81/166327781.db2.gz	SOVMLHJXFGXTRB-UHFFFAOYSA-N	0	0	192.258	3.067	10	0		AGAERN
CC(=O)c1ccc2oc(C)c(C)c2c1	82391422	166328598	/nfs/dbraw/zinc/32/85/98/166328598.db2.gz	LRUXCASTJJARBH-UHFFFAOYSA-N	0	0	188.226	3.252	10	0		AGAERN
CC(=O)c1ccc2c(c1)[C@H](C)CCC2	147860045	166328760	/nfs/dbraw/zinc/32/87/60/166328760.db2.gz	ZRZGMTDLENRWND-SECBINFHSA-N	0	0	188.270	3.329	10	0		AGAERN
CC(=O)c1ccccc1SC(C)C	37685894	166329645	/nfs/dbraw/zinc/32/96/45/166329645.db2.gz	JHBTZAYJYJVTAH-UHFFFAOYSA-N	0	0	194.299	3.390	10	0		AGAERN
CC(=O)c1ccccc1-c1ccco1	16947968	166329770	/nfs/dbraw/zinc/32/97/70/166329770.db2.gz	TVHFBSCVASQGQO-UHFFFAOYSA-N	0	0	186.210	3.149	10	0		AGAERN
CC(=O)c1ccccc1C1CCC1	95644736	166330879	/nfs/dbraw/zinc/33/08/79/166330879.db2.gz	AEBUBWRTHXLFSL-UHFFFAOYSA-N	0	0	174.243	3.157	10	0		AGAERN
CC(=O)c1ccccc1CC(C)C	60327438	166331333	/nfs/dbraw/zinc/33/13/33/166331333.db2.gz	AHTQDKXVLKVZTP-UHFFFAOYSA-N	0	0	176.259	3.088	10	0		AGAERN
CC(=O)c1csc(C(C)C)c1	39294195	166332026	/nfs/dbraw/zinc/33/20/26/166332026.db2.gz	RLBOFFQBBRXRTQ-UHFFFAOYSA-N	0	0	168.261	3.074	10	0		AGAERN
CC(=O)c1csc(C2CCCC2)n1	80834215	166332378	/nfs/dbraw/zinc/33/23/78/166332378.db2.gz	WBSVJLBCLFEQAK-UHFFFAOYSA-N	0	0	195.287	3.003	10	0		AGAERN
CC(=O)c1oc2cc(C)ccc2c1C	82502124	166334952	/nfs/dbraw/zinc/33/49/52/166334952.db2.gz	SZBWFJFQFDDEBA-UHFFFAOYSA-N	0	0	188.226	3.252	10	0		AGAERN
CC(=O)c1oc2c(F)cccc2c1C	36928695	166335285	/nfs/dbraw/zinc/33/52/85/166335285.db2.gz	NDPUIYJVMHQLGY-UHFFFAOYSA-N	0	0	192.189	3.083	10	0		AGAERN
CC(=O)c1oc2c(C)cccc2c1C	36928697	166335754	/nfs/dbraw/zinc/33/57/54/166335754.db2.gz	COEIDSYLZJLOSQ-UHFFFAOYSA-N	0	0	188.226	3.252	10	0		AGAERN
CC(=S)Nc1cccc(C)c1C	3099624	166337705	/nfs/dbraw/zinc/33/77/05/166337705.db2.gz	ZPIPSNNVPWASAT-UHFFFAOYSA-N	0	0	179.288	3.063	10	0		AGAERN
CC(=O)c1sccc1C(C)C	83270819	166338762	/nfs/dbraw/zinc/33/87/62/166338762.db2.gz	QOPBQINBXMPODE-UHFFFAOYSA-N	0	0	168.261	3.074	10	0		AGAERN
CC(C)(C)/C=C/c1ccccn1	5283860	166342826	/nfs/dbraw/zinc/34/28/26/166342826.db2.gz	WOVSTQRRYGVCNQ-BQYQJAHWSA-N	0	0	161.248	3.141	10	0		AGAERN
CC(C)(C)/C=C/[C@H]1CCCC(=O)C1	104839666	166343036	/nfs/dbraw/zinc/34/30/36/166343036.db2.gz	UJRJCUHWTBQLHU-QROSGCPLSA-N	0	0	180.291	3.348	10	0		AGAERN
CC(C)(C)/C=C1\C[C@@H]2C(=O)CC[C@@H]2C1	39112209	166343482	/nfs/dbraw/zinc/34/34/82/166343482.db2.gz	RDFQBUYFFVKJRJ-XJMUJKMXSA-N	0	0	192.302	3.348	10	0		AGAERN
CC(C)(C)/C=C1/C[C@@H]2CCC(=O)[C@@H]2C1	39112206	166343568	/nfs/dbraw/zinc/34/35/68/166343568.db2.gz	RDFQBUYFFVKJRJ-DOSOYNOZSA-N	0	0	192.302	3.348	10	0		AGAERN
CC(C)(C)/C=C/c1nc(C2CC2)no1	334737619	166343629	/nfs/dbraw/zinc/34/36/29/166343629.db2.gz	PWDGIOOPWFYRKR-VOTSOKGWSA-N	0	0	192.262	3.006	10	0		AGAERN
CC(C)(C)/C=C1/C[C@@H]2CCC(=O)[C@H]2C1	39112208	166343644	/nfs/dbraw/zinc/34/36/44/166343644.db2.gz	RDFQBUYFFVKJRJ-QGNYPYLESA-N	0	0	192.302	3.348	10	0		AGAERN
CC(C)(C)/C=C/[C@@H]1CCCC(=O)C1	104839665	166343677	/nfs/dbraw/zinc/34/36/77/166343677.db2.gz	UJRJCUHWTBQLHU-JARNTUPDSA-N	0	0	180.291	3.348	10	0		AGAERN
CC(C)(C)/C=C1/C[C@H]2CCC(=O)[C@@H]2C1	39112207	166343968	/nfs/dbraw/zinc/34/39/68/166343968.db2.gz	RDFQBUYFFVKJRJ-DLXGREBBSA-N	0	0	192.302	3.348	10	0		AGAERN
CC(C)(C)C(=O)c1cc(F)ccc1F	36940216	166345753	/nfs/dbraw/zinc/34/57/53/166345753.db2.gz	IXOVOKPUYZKYQU-UHFFFAOYSA-N	0	0	198.212	3.194	10	0		AGAERN
CC(C)(C)C(=S)Nc1ccccc1	5283924	166346323	/nfs/dbraw/zinc/34/63/23/166346323.db2.gz	KEKSIKKHUGFJCZ-UHFFFAOYSA-N	0	0	193.315	3.472	10	0		AGAERN
CC(C)(C)C(=O)c1c(F)cccc1F	69758956	166346730	/nfs/dbraw/zinc/34/67/30/166346730.db2.gz	PUQKOUVPROEOIQ-UHFFFAOYSA-N	0	0	198.212	3.194	10	0		AGAERN
CC(C)(C)CC(=O)C(C)(C)C	2535675	166347565	/nfs/dbraw/zinc/34/75/65/166347565.db2.gz	XUXJQANAPZHLMK-UHFFFAOYSA-N	0	0	156.269	3.038	10	0		AGAERN
CC(C)(C)C1=C[C@@H]2CCC[C@@H]12	222050717	166347807	/nfs/dbraw/zinc/34/78/07/166347807.db2.gz	CXCKEHRPYFRSGP-DTWKUNHWSA-N	0	0	150.265	3.389	10	0		AGAERN
CC(C)(C)C1=C[C@@H]2CCC[C@H]12	222050655	166348893	/nfs/dbraw/zinc/34/88/93/166348893.db2.gz	CXCKEHRPYFRSGP-IUCAKERBSA-N	0	0	150.265	3.389	10	0		AGAERN
CC(C)(C)C1=C[C@H]2CCC[C@H]12	222050599	166349288	/nfs/dbraw/zinc/34/92/88/166349288.db2.gz	CXCKEHRPYFRSGP-BDAKNGLRSA-N	0	0	150.265	3.389	10	0		AGAERN
CC(C)(C)C1(C)SCCS1	2012838	166349392	/nfs/dbraw/zinc/34/93/92/166349392.db2.gz	DPULANMYKUCCQX-UHFFFAOYSA-N	0	0	176.350	3.229	10	0		AGAERN
CC(C)(C)C(C)(Cl)Cl	1681106	166349564	/nfs/dbraw/zinc/34/95/64/166349564.db2.gz	QMQRQQASVUFJGS-UHFFFAOYSA-N	0	0	155.068	3.226	10	0		AGAERN
CC(C)(C)C1(O)CCCCCC1	34060709	166349570	/nfs/dbraw/zinc/34/95/70/166349570.db2.gz	FOMZWAPKCOUTAU-UHFFFAOYSA-N	0	0	170.296	3.118	10	0		AGAERN
CC(C)(C)CC(=O)c1cccs1	36942493	166349980	/nfs/dbraw/zinc/34/99/80/166349980.db2.gz	OJBVDVLPVLTZBZ-UHFFFAOYSA-N	0	0	182.288	3.367	10	0		AGAERN
CC(C)(C)CC(=O)CC(C)(C)C	1587735	166349986	/nfs/dbraw/zinc/34/99/86/166349986.db2.gz	LPKATDGGXXEZFL-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
CC(C)(C)CCNc1cccc(O)c1	61839045	166350223	/nfs/dbraw/zinc/35/02/23/166350223.db2.gz	CSHVRZHAQYRIKN-UHFFFAOYSA-N	0	0	193.290	3.240	10	0		AGAERN
CC(C)(C)CC[C@H]1CCCC[C@H]1O	43658500	166350259	/nfs/dbraw/zinc/35/02/59/166350259.db2.gz	QCYYHQNJGKQNHR-GHMZBOCLSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)(C)CCC(=O)c1ccoc1	33645682	166350368	/nfs/dbraw/zinc/35/03/68/166350368.db2.gz	OGRPIPYRWGSLBY-UHFFFAOYSA-N	0	0	180.247	3.289	10	0		AGAERN
CC(C)(C)CC[C@H]1CCCC1=O	49255524	166350823	/nfs/dbraw/zinc/35/08/23/166350823.db2.gz	UJCNRJBGXOEFQS-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)(C)CCNc1ccc(O)cc1	61839448	166350831	/nfs/dbraw/zinc/35/08/31/166350831.db2.gz	AICPJQDXQPLGFT-UHFFFAOYSA-N	0	0	193.290	3.240	10	0		AGAERN
CC(C)(C)CC[C@@H]1CCCC1=O	49255521	166350885	/nfs/dbraw/zinc/35/08/85/166350885.db2.gz	UJCNRJBGXOEFQS-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)(C)CCOc1ccccc1N	38056067	166350918	/nfs/dbraw/zinc/35/09/18/166350918.db2.gz	PXLRCXJJCPKYAS-UHFFFAOYSA-N	0	0	193.290	3.084	10	0		AGAERN
CC(C)(C)CCOc1ccccc1O	49255398	166350922	/nfs/dbraw/zinc/35/09/22/166350922.db2.gz	AYIFPHPEIIRDBA-UHFFFAOYSA-N	0	0	194.274	3.207	10	0		AGAERN
CC(C)(C)CCNc1ccccc1O	83342012	166351237	/nfs/dbraw/zinc/35/12/37/166351237.db2.gz	VFDUJZMWFLRJCN-UHFFFAOYSA-N	0	0	193.290	3.240	10	0		AGAERN
CC(C)(C)CCC(=O)C(C)(C)C	39646419	166351394	/nfs/dbraw/zinc/35/13/94/166351394.db2.gz	PLIPKKJKDUPBNL-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
CC(C)(C)CC[C@@H]1CCCC[C@H]1O	43658498	166351675	/nfs/dbraw/zinc/35/16/75/166351675.db2.gz	QCYYHQNJGKQNHR-WDEREUQCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)(C)CCC(=O)c1cccnc1	39400495	166351690	/nfs/dbraw/zinc/35/16/90/166351690.db2.gz	IRWXAWVVFVWKHF-UHFFFAOYSA-N	0	0	191.274	3.091	10	0		AGAERN
CC(C)(C)CCOc1cccc(N)c1	38055299	166351780	/nfs/dbraw/zinc/35/17/80/166351780.db2.gz	AVWNCWHXSQKLTD-UHFFFAOYSA-N	0	0	193.290	3.084	10	0		AGAERN
CC(C)(C)CC[C@@H]1CCCC[C@@H]1O	43658494	166351804	/nfs/dbraw/zinc/35/18/04/166351804.db2.gz	QCYYHQNJGKQNHR-QWRGUYRKSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)(C)CCOc1cccc(O)c1	49255401	166352139	/nfs/dbraw/zinc/35/21/39/166352139.db2.gz	BRCGUXIEQVIHGV-UHFFFAOYSA-N	0	0	194.274	3.207	10	0		AGAERN
CC(C)(C)CC[C@H]1CCCC[C@@H]1O	43658496	166352353	/nfs/dbraw/zinc/35/23/53/166352353.db2.gz	QCYYHQNJGKQNHR-MNOVXSKESA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)(C)CN1CCc2ccccc21	41204812	166352529	/nfs/dbraw/zinc/35/25/29/166352529.db2.gz	DRLNVONVNKQKLJ-UHFFFAOYSA-N	0	0	189.302	3.095	10	0		AGAERN
CC(C)(C)CCOc1ccc(O)cc1	49255395	166352550	/nfs/dbraw/zinc/35/25/50/166352550.db2.gz	PAICIFFQRSBOLE-UHFFFAOYSA-N	0	0	194.274	3.207	10	0		AGAERN
CC(C)(C)CNc1cccnc1Cl	41051277	166353790	/nfs/dbraw/zinc/35/37/90/166353790.db2.gz	NXAPODLOTLYSFN-UHFFFAOYSA-N	0	0	198.697	3.193	10	0		AGAERN
CC(C)(C)CNc1c(F)cccc1F	41051213	166354262	/nfs/dbraw/zinc/35/42/62/166354262.db2.gz	HMWGNGJPCXZGJZ-UHFFFAOYSA-N	0	0	199.244	3.423	10	0		AGAERN
CC(C)(C)C[C@H](O)Cc1ccccc1	2032401	166355851	/nfs/dbraw/zinc/35/58/51/166355851.db2.gz	MBRZYUHBFJXHNF-GFCCVEGCSA-N	0	0	192.302	3.026	10	0		AGAERN
CC(C)(C)C[C@](C)(O)C(C)(C)C	5900997	166356109	/nfs/dbraw/zinc/35/61/09/166356109.db2.gz	MOMYMUIRZSPING-NSHDSACASA-N	0	0	172.312	3.220	10	0		AGAERN
CC(C)(C)C[C@@H](O)C1=CCCCC1	50328930	166356325	/nfs/dbraw/zinc/35/63/25/166356325.db2.gz	FCBQOSHYLKHBDT-LLVKDONJSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)(C)C[C@H](O)c1ccc(F)cc1	40243659	166356466	/nfs/dbraw/zinc/35/64/66/166356466.db2.gz	DJWDNXBPGFGTGU-NSHDSACASA-N	0	0	196.265	3.295	10	0		AGAERN
CC(C)(C)C[C@H]1CCCCC1=O	76596808	166356800	/nfs/dbraw/zinc/35/68/00/166356800.db2.gz	HDXQEFVDEMNCFH-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)(C)C[C@@H](O)c1ccccc1	32133471	166357083	/nfs/dbraw/zinc/35/70/83/166357083.db2.gz	PCWKVEYADSGEHI-LLVKDONJSA-N	0	0	178.275	3.156	10	0		AGAERN
CC(C)(C)C[C@@H](O)Cc1ccccc1	1765482	166357177	/nfs/dbraw/zinc/35/71/77/166357177.db2.gz	MBRZYUHBFJXHNF-LBPRGKRZSA-N	0	0	192.302	3.026	10	0		AGAERN
CC(C)(C)C[C@@](C)(O)C(C)(C)C	2535493	166357211	/nfs/dbraw/zinc/35/72/11/166357211.db2.gz	MOMYMUIRZSPING-LLVKDONJSA-N	0	0	172.312	3.220	10	0		AGAERN
CC(C)(C)C[C@H](O)C1=CCCCC1	50328929	166357375	/nfs/dbraw/zinc/35/73/75/166357375.db2.gz	FCBQOSHYLKHBDT-NSHDSACASA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)(C)C[C@@H](O)c1cccs1	40247530	166357411	/nfs/dbraw/zinc/35/74/11/166357411.db2.gz	VKTAORMRPIMCPB-MRVPVSSYSA-N	0	0	184.304	3.218	10	0		AGAERN
CC(C)(C)C[C@H](O)c1cccs1	40247529	166357557	/nfs/dbraw/zinc/35/75/57/166357557.db2.gz	VKTAORMRPIMCPB-QMMMGPOBSA-N	0	0	184.304	3.218	10	0		AGAERN
CC(C)(C)Cc1nc2ccccc2o1	32169590	166357843	/nfs/dbraw/zinc/35/78/43/166357843.db2.gz	RRSJHHBXXYKOLG-UHFFFAOYSA-N	0	0	189.258	3.416	10	0		AGAERN
CC(C)(C)C[C@@H](O)c1ccc(F)cc1	40243660	166357932	/nfs/dbraw/zinc/35/79/32/166357932.db2.gz	DJWDNXBPGFGTGU-LLVKDONJSA-N	0	0	196.265	3.295	10	0		AGAERN
CC(C)(C)C[C@@H]1CCCCC1=O	76596806	166357999	/nfs/dbraw/zinc/35/79/99/166357999.db2.gz	HDXQEFVDEMNCFH-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)(C)C[C@H](O)c1ccccc1	32133473	166358085	/nfs/dbraw/zinc/35/80/85/166358085.db2.gz	PCWKVEYADSGEHI-NSHDSACASA-N	0	0	178.275	3.156	10	0		AGAERN
CC(C)(C)Nc1c(N)cccc1Cl	20584627	166364673	/nfs/dbraw/zinc/36/46/73/166364673.db2.gz	LLRODTWEFIVFMQ-UHFFFAOYSA-N	0	0	198.697	3.133	10	0		AGAERN
CC(C)(C)Nc1ccc(F)cc1F	82712693	166364870	/nfs/dbraw/zinc/36/48/70/166364870.db2.gz	UAAWAGXHQVKILI-UHFFFAOYSA-N	0	0	185.217	3.175	10	0		AGAERN
CC(C)(C)Nc1ccc(N)cc1Cl	26516794	166364974	/nfs/dbraw/zinc/36/49/74/166364974.db2.gz	RZOIQZLZEKRXTE-UHFFFAOYSA-N	0	0	198.697	3.133	10	0		AGAERN
CC(C)(C)Nc1ccc(F)cc1	1720766	166365399	/nfs/dbraw/zinc/36/53/99/166365399.db2.gz	MZNSNNMEDUMHEM-UHFFFAOYSA-N	0	0	167.227	3.036	10	0		AGAERN
CC(C)(C)Nc1cc(F)cc(F)c1	82712691	166365402	/nfs/dbraw/zinc/36/54/02/166365402.db2.gz	IEVTWAVWCFQFOX-UHFFFAOYSA-N	0	0	185.217	3.175	10	0		AGAERN
CC(C)(C)Nc1ccc(Cl)cc1N	26516792	166365773	/nfs/dbraw/zinc/36/57/73/166365773.db2.gz	BUMWONSFYOAMFO-UHFFFAOYSA-N	0	0	198.697	3.133	10	0		AGAERN
CC(C)(C)Nc1cccc(F)c1	82712687	166365908	/nfs/dbraw/zinc/36/59/08/166365908.db2.gz	TXBZAMHUQIKZRX-UHFFFAOYSA-N	0	0	167.227	3.036	10	0		AGAERN
CC(C)(C)Nc1nc2ccccc2o1	32170816	166367703	/nfs/dbraw/zinc/36/77/03/166367703.db2.gz	VKVRCHOHCNJAKD-UHFFFAOYSA-N	0	0	190.246	3.038	10	0		AGAERN
CC(C)(C)Nc1ccccc1F	82712686	166368708	/nfs/dbraw/zinc/36/87/08/166368708.db2.gz	CSOOOYCQKFBWHG-UHFFFAOYSA-N	0	0	167.227	3.036	10	0		AGAERN
CC(C)(C)Nc1nc(C2CC2)cs1	61877220	166368797	/nfs/dbraw/zinc/36/87/97/166368797.db2.gz	ZDQOKJXUIRSGRJ-UHFFFAOYSA-N	0	0	196.319	3.231	10	0		AGAERN
CC(C)(C)Oc1ccc([S-])cc1	39369884	166373321	/nfs/dbraw/zinc/37/33/21/166373321.db2.gz	ARRIPSQGMHQZCZ-UHFFFAOYSA-N	0	0	182.288	3.153	10	0		AGAERN
CC(C)(C)Oc1cc(F)cc(F)c1	59796768	166373809	/nfs/dbraw/zinc/37/38/09/166373809.db2.gz	NNLSBXRITUAKSD-UHFFFAOYSA-N	0	0	186.201	3.142	10	0		AGAERN
CC(C)(C)OCc1ccc(Cl)nc1	20513767	166374104	/nfs/dbraw/zinc/37/41/04/166374104.db2.gz	ZASSNNNRCCOARP-UHFFFAOYSA-N	0	0	199.681	3.050	10	0		AGAERN
CC(C)(C)OC1=CCC(=S)S1	1701784	166374498	/nfs/dbraw/zinc/37/44/98/166374498.db2.gz	RBNOGBNNXDHPCW-UHFFFAOYSA-N	0	0	188.317	3.214	10	0		AGAERN
CC(C)(C)[C@@H](O)CCc1cccs1	49852203	166375838	/nfs/dbraw/zinc/37/58/38/166375838.db2.gz	GVCCXAAHBAASDW-JTQLQIEISA-N	0	0	198.331	3.088	10	0		AGAERN
CC(C)(C)[C@@H](O)CCC1CCCC1	43657643	166375914	/nfs/dbraw/zinc/37/59/14/166375914.db2.gz	AMLGPAZQMUSKFF-NSHDSACASA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)(C)[C@@H](O)c1ccc(Cl)cc1	37658127	166375999	/nfs/dbraw/zinc/37/59/99/166375999.db2.gz	KVQHMAMNJSQJBE-JTQLQIEISA-N	0	0	198.693	3.420	10	0		AGAERN
CC(C)(C)[C@@H](O)c1cccc(Cl)c1	41209689	166376054	/nfs/dbraw/zinc/37/60/54/166376054.db2.gz	SYXYTKRTHSASRR-JTQLQIEISA-N	0	0	198.693	3.420	10	0		AGAERN
CC(C)(C)[C@@H]1CCCCCC1=O	39258206	166376100	/nfs/dbraw/zinc/37/61/00/166376100.db2.gz	NSDWHNKSMLIBOO-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)(C)[C@@H]1CCCCC(=O)C1	39403292	166376264	/nfs/dbraw/zinc/37/62/64/166376264.db2.gz	COLGLAPBWPLCAR-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)(C)[C@@H]1CCc2ccccc2N1	38844047	166376354	/nfs/dbraw/zinc/37/63/54/166376354.db2.gz	BIQBSUXXWXMZCC-LBPRGKRZSA-N	0	0	189.302	3.459	10	0		AGAERN
CC(C)(C)[C@@H](O)CCc1ccccc1	36294278	166377025	/nfs/dbraw/zinc/37/70/25/166377025.db2.gz	VRJGMOZPVOHGFP-LBPRGKRZSA-N	0	0	192.302	3.026	10	0		AGAERN
CC(C)(C)[C@@H](O)CCc1ccsc1	43657620	166377217	/nfs/dbraw/zinc/37/72/17/166377217.db2.gz	CQCRAPMWOKXAHW-JTQLQIEISA-N	0	0	198.331	3.088	10	0		AGAERN
CC(C)(C)[C@H](O)c1cccc(Cl)c1	41209687	166377975	/nfs/dbraw/zinc/37/79/75/166377975.db2.gz	SYXYTKRTHSASRR-SNVBAGLBSA-N	0	0	198.693	3.420	10	0		AGAERN
CC(C)(C)[C@H](F)C(=O)c1ccccc1	39055184	166378163	/nfs/dbraw/zinc/37/81/63/166378163.db2.gz	SSBMWZITSPQSFQ-LLVKDONJSA-N	0	0	194.249	3.254	10	0		AGAERN
CC(C)(C)[C@H](O)CCc1ccccc1	36294275	166378242	/nfs/dbraw/zinc/37/82/42/166378242.db2.gz	VRJGMOZPVOHGFP-GFCCVEGCSA-N	0	0	192.302	3.026	10	0		AGAERN
CC(C)(C)[C@H](O)CCc1ccsc1	43657619	166379264	/nfs/dbraw/zinc/37/92/64/166379264.db2.gz	CQCRAPMWOKXAHW-SNVBAGLBSA-N	0	0	198.331	3.088	10	0		AGAERN
CC(C)(C)[C@H](O)CCc1cccs1	49852202	166379716	/nfs/dbraw/zinc/37/97/16/166379716.db2.gz	GVCCXAAHBAASDW-SNVBAGLBSA-N	0	0	198.331	3.088	10	0		AGAERN
CC(C)(C)[C@H](O)CCC1CCCC1	43657642	166379747	/nfs/dbraw/zinc/37/97/47/166379747.db2.gz	AMLGPAZQMUSKFF-LLVKDONJSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)(C)[C@H](O)c1ccc(Cl)cc1	37658126	166379854	/nfs/dbraw/zinc/37/98/54/166379854.db2.gz	KVQHMAMNJSQJBE-SNVBAGLBSA-N	0	0	198.693	3.420	10	0		AGAERN
CC(C)(C)[C@H]1CCc2ccccc2N1	38844048	166380224	/nfs/dbraw/zinc/38/02/24/166380224.db2.gz	BIQBSUXXWXMZCC-GFCCVEGCSA-N	0	0	189.302	3.459	10	0		AGAERN
CC(C)(C)[C@H]1CCCCCC1=O	39258207	166381215	/nfs/dbraw/zinc/38/12/15/166381215.db2.gz	NSDWHNKSMLIBOO-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)(C)c1c(O)ccc2occc12	34236183	166381639	/nfs/dbraw/zinc/38/16/39/166381639.db2.gz	GIAVFPKZFUTDJT-UHFFFAOYSA-N	0	0	190.242	3.436	10	0		AGAERN
CC(C)(C)[C@H]1CCCCC(=O)C1	39403293	166381780	/nfs/dbraw/zinc/38/17/80/166381780.db2.gz	COLGLAPBWPLCAR-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)(C)c1c(O)cccc1Cl	95709815	166381806	/nfs/dbraw/zinc/38/18/06/166381806.db2.gz	DAMXXBYDFSPLKE-UHFFFAOYSA-N	0	0	184.666	3.343	10	0		AGAERN
CC(C)(C)c1ccc(Cl)cc1O	95709892	166382961	/nfs/dbraw/zinc/38/29/61/166382961.db2.gz	UJFQHWVYPNTXEW-UHFFFAOYSA-N	0	0	184.666	3.343	10	0		AGAERN
CC(C)(C)c1ccc(O)c(N=O)c1	15779453	166383098	/nfs/dbraw/zinc/38/30/98/166383098.db2.gz	LMZTYVPEOJZPAQ-UHFFFAOYSA-N	0	0	179.219	3.088	10	0		AGAERN
CC(C)(C)c1cc(N)ccc1Cl	117029359	166383815	/nfs/dbraw/zinc/38/38/15/166383815.db2.gz	DFKWURGXEUHZMY-UHFFFAOYSA-N	0	0	183.682	3.220	10	0		AGAERN
CC(C)(C)c1ccc(O)cc1Cl	34071278	166383874	/nfs/dbraw/zinc/38/38/74/166383874.db2.gz	XXZNDRDKECUZMB-UHFFFAOYSA-N	0	0	184.666	3.343	10	0		AGAERN
CC(C)(C)c1cc(F)cc(F)c1	113263278	166383877	/nfs/dbraw/zinc/38/38/77/166383877.db2.gz	HLJSXPYZNFMWFI-UHFFFAOYSA-N	0	0	170.202	3.262	10	0		AGAERN
CC(C)(C)c1cc(F)cnc1Cl	67800287	166383948	/nfs/dbraw/zinc/38/39/48/166383948.db2.gz	AZRHLFLOBRCUMD-UHFFFAOYSA-N	0	0	187.645	3.172	10	0		AGAERN
CC(C)(C)c1cc2occc2cc1O	34266125	166384176	/nfs/dbraw/zinc/38/41/76/166384176.db2.gz	KBBUOWIIJSDKST-UHFFFAOYSA-N	0	0	190.242	3.436	10	0		AGAERN
CC(C)(C)c1ccc(Cl)c(O)c1	95709890	166384266	/nfs/dbraw/zinc/38/42/66/166384266.db2.gz	VUXFBRWEYFXPNT-UHFFFAOYSA-N	0	0	184.666	3.343	10	0	in-vitro	AGAERN
CC(C)(C)c1cc(N)c2c(c1)CCC2	82390728	166384632	/nfs/dbraw/zinc/38/46/32/166384632.db2.gz	XDZWYAXBXNFRLB-UHFFFAOYSA-N	0	0	189.302	3.055	10	0		AGAERN
CC(C)(C)c1cc(O)ccc1Cl	95709848	166384920	/nfs/dbraw/zinc/38/49/20/166384920.db2.gz	FJXLTFRZZPRENC-UHFFFAOYSA-N	0	0	184.666	3.343	10	0		AGAERN
CC(C)(C)c1ccc2c(c1)CCCO2	38876163	166385249	/nfs/dbraw/zinc/38/52/49/166385249.db2.gz	OXHVSEBRPAXTCT-UHFFFAOYSA-N	0	0	190.286	3.309	10	0		AGAERN
CC(C)(C)c1cccc2ncoc12	62498590	166385556	/nfs/dbraw/zinc/38/55/56/166385556.db2.gz	FUVATTPRQARJPP-UHFFFAOYSA-N	0	0	175.231	3.125	10	0		AGAERN
CC(C)(C)c1cnc(NC2CC2)s1	61877235	166385987	/nfs/dbraw/zinc/38/59/87/166385987.db2.gz	NMUZILNFUREQMV-UHFFFAOYSA-N	0	0	196.319	3.015	10	0		AGAERN
CC(C)(C)c1csc(NC2CC2)n1	61714567	166386545	/nfs/dbraw/zinc/38/65/45/166386545.db2.gz	GTXLOZKQMREZCT-UHFFFAOYSA-N	0	0	196.319	3.015	10	0		AGAERN
CC(C)(C)c1cccc2c1NCCC2	33606573	166386577	/nfs/dbraw/zinc/38/65/77/166386577.db2.gz	FTAFKJQTGWHYTC-UHFFFAOYSA-N	0	0	189.302	3.342	10	0		AGAERN
CC(C)(C)c1ccc2c(c1)CCC2	49779783	166386889	/nfs/dbraw/zinc/38/68/89/166386889.db2.gz	HIUJUJQGZWLWAN-UHFFFAOYSA-N	0	0	174.287	3.473	10	0		AGAERN
CC(C)(C)c1ccsc1	5355779	166387640	/nfs/dbraw/zinc/38/76/40/166387640.db2.gz	LZDPZKBVRTYUMQ-UHFFFAOYSA-N	0	0	140.251	3.046	10	0		AGAERN
CC(C)(C)c1ccc2c(c1)C=CCN2	71479735	166387738	/nfs/dbraw/zinc/38/77/38/166387738.db2.gz	ACXKAYPTERGTBJ-UHFFFAOYSA-N	0	0	187.286	3.423	10	0		AGAERN
CC(C)(C)c1nc2ccc(F)cc2o1	75883665	166389785	/nfs/dbraw/zinc/38/97/85/166389785.db2.gz	IKXYCGLJVYBHLP-UHFFFAOYSA-N	0	0	193.221	3.264	10	0		AGAERN
CC(C)(Cl)Cc1cccc(F)c1	49649436	166398431	/nfs/dbraw/zinc/39/84/31/166398431.db2.gz	JVFSLCOZBKTIOH-UHFFFAOYSA-N	0	0	186.657	3.386	10	0		AGAERN
CC(C)(Cl)Cc1ccccc1F	49649437	166399337	/nfs/dbraw/zinc/39/93/37/166399337.db2.gz	PKNXNUXUKDHVLX-UHFFFAOYSA-N	0	0	186.657	3.386	10	0		AGAERN
CC(C)(Cl)Cc1ccc(F)cc1	49649435	166399736	/nfs/dbraw/zinc/39/97/36/166399736.db2.gz	ARQZGCAPCYOHKQ-UHFFFAOYSA-N	0	0	186.657	3.386	10	0		AGAERN
CC(C)(O)c1cc2ccccc2s1	34406909	166412421	/nfs/dbraw/zinc/41/24/21/166412421.db2.gz	OCZXFLXFYVFRGR-UHFFFAOYSA-N	0	0	192.283	3.129	10	0		AGAERN
CC(C)=CCC[C@@H](C)[C@H](O)C(C)C	33506088	166415084	/nfs/dbraw/zinc/41/50/84/166415084.db2.gz	QVHCKTZIQCDTFT-VXGBXAGGSA-N	0	0	184.323	3.386	10	0		AGAERN
CC(C)=CCC[C@H](C)[C@@H]1CCC(=O)O1	6020508	166416497	/nfs/dbraw/zinc/41/64/97/166416497.db2.gz	BSLAGKJAUWCLKK-QWRGUYRKSA-N	0	0	196.290	3.075	10	0		AGAERN
CC(C)=CCC[C@H](C)[C@H]1CCC(=O)O1	6020514	166416518	/nfs/dbraw/zinc/41/65/18/166416518.db2.gz	BSLAGKJAUWCLKK-WDEREUQCSA-N	0	0	196.290	3.075	10	0		AGAERN
CC(C)=CCSc1ccccc1N	19434166	166418068	/nfs/dbraw/zinc/41/80/68/166418068.db2.gz	ZQHHTRGOTRBXSM-UHFFFAOYSA-N	0	0	193.315	3.327	10	0		AGAERN
CC(C)=Cc1nc([C@@H](C)C2CC2)no1	336025696	166420773	/nfs/dbraw/zinc/42/07/73/166420773.db2.gz	BKUFUCZCFJJDKR-QMMMGPOBSA-N	0	0	192.262	3.006	10	0		AGAERN
CC(C)=Cc1ccc(F)cc1	53993661	166421201	/nfs/dbraw/zinc/42/12/01/166421201.db2.gz	VTQNCNWJUFLYDH-UHFFFAOYSA-N	0	0	150.196	3.249	10	0		AGAERN
CC(C)=CC[C@H]1CCCCC[C@H]1O	43658812	166421755	/nfs/dbraw/zinc/42/17/55/166421755.db2.gz	KSOOSCDCFYJUER-VXGBXAGGSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)C(=O)[C@@H]1CCCC[C@@H]1C	39402388	166427668	/nfs/dbraw/zinc/42/76/68/166427668.db2.gz	WFBWTZVNOCDOKC-VHSXEESVSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)C(=O)[C@H]1C[C@H]1c1ccccc1	34111864	166427950	/nfs/dbraw/zinc/42/79/50/166427950.db2.gz	TUSXYELJXYDQHV-RYUDHWBXSA-N	0	0	188.270	3.015	10	0		AGAERN
CC(C)C(=O)[C@@H]1CCCC[C@H]1C	39402387	166428383	/nfs/dbraw/zinc/42/83/83/166428383.db2.gz	WFBWTZVNOCDOKC-NXEZZACHSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)C(=S)Nc1ccccc1	5284480	166428690	/nfs/dbraw/zinc/42/86/90/166428690.db2.gz	GXWWABNVAQSBAF-UHFFFAOYSA-N	0	0	179.288	3.082	10	0		AGAERN
CC(C)C/C=C/[C@@H]1CCCC(=O)C1	62719098	166430388	/nfs/dbraw/zinc/43/03/88/166430388.db2.gz	XBFLNUQMTNAKMC-ZXCPCRMDSA-N	0	0	180.291	3.348	10	0		AGAERN
CC(C)C1=N[C@]1(C)c1ccccc1	39104648	166431797	/nfs/dbraw/zinc/43/17/97/166431797.db2.gz	IWFHJDFPMHVIRP-GFCCVEGCSA-N	0	0	173.259	3.012	10	0		AGAERN
CC(C)CC(=O)c1ccc(F)cc1F	36940678	166435921	/nfs/dbraw/zinc/43/59/21/166435921.db2.gz	OSCSMXMEGVIQOS-UHFFFAOYSA-N	0	0	198.212	3.194	10	0		AGAERN
CC(C)CC1(O)CCCCCC1	37376068	166436564	/nfs/dbraw/zinc/43/65/64/166436564.db2.gz	CFUXRMGCQQXXIN-UHFFFAOYSA-N	0	0	170.296	3.118	10	0		AGAERN
CC(C)CCC(=O)c1ccc(F)cc1	36940506	166436801	/nfs/dbraw/zinc/43/68/01/166436801.db2.gz	NPKOYDSSWYSCDH-UHFFFAOYSA-N	0	0	194.249	3.445	10	0		AGAERN
CC(C)CCC[C@@H]1CCCC1=O	5758866	166437656	/nfs/dbraw/zinc/43/76/56/166437656.db2.gz	IGEXYHSUUVTDLS-SNVBAGLBSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)CCCCc1ccccn1	33637674	166437723	/nfs/dbraw/zinc/43/77/23/166437723.db2.gz	WXZQNHOHMPCZGQ-UHFFFAOYSA-N	0	0	177.291	3.450	10	0		AGAERN
CC(C)CCCCC(=O)C(C)C	5284508	166437804	/nfs/dbraw/zinc/43/78/04/166437804.db2.gz	AMNGVAZCPQMTNM-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
CC(C)CCC[C@@H](C)[C@H]1CCC(=O)O1	33609221	166439594	/nfs/dbraw/zinc/43/95/94/166439594.db2.gz	QHIZATOHFPWJAM-GHMZBOCLSA-N	0	0	198.306	3.154	10	0		AGAERN
CC(C)CCC[C@H](O)C(C)(C)C	43657506	166442408	/nfs/dbraw/zinc/44/24/08/166442408.db2.gz	KXAZSYBPGWMQLP-JTQLQIEISA-N	0	0	172.312	3.220	10	0		AGAERN
CC(C)CCNc1cc(Cl)ccn1	83343043	166447613	/nfs/dbraw/zinc/44/76/13/166447613.db2.gz	LZCDGRZFJLUOOK-UHFFFAOYSA-N	0	0	198.697	3.193	10	0		AGAERN
CC(C)CCNc1cnccc1Cl	83343040	166448621	/nfs/dbraw/zinc/44/86/21/166448621.db2.gz	WJNKXFMTTACUNG-UHFFFAOYSA-N	0	0	198.697	3.193	10	0		AGAERN
CC(C)CCO[C@H](C)OCC(C)C	33606542	166449342	/nfs/dbraw/zinc/44/93/42/166449342.db2.gz	PFGKDSOUFDQBLI-NSHDSACASA-N	0	0	188.311	3.068	10	0		AGAERN
CC(C)CC[C@@H]1C[C@@H](C)CC[C@@H]1O	44470099	166449524	/nfs/dbraw/zinc/44/95/24/166449524.db2.gz	NESCSNCQYZZBFC-TUAOUCFPSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)CC[C@@H](O)c1cccc(F)c1	43374217	166450590	/nfs/dbraw/zinc/45/05/90/166450590.db2.gz	YEYDCHVNYOABAZ-GFCCVEGCSA-N	0	0	196.265	3.295	10	0		AGAERN
CC(C)CC[C@@H](CCCO)C(C)C	44383005	166450830	/nfs/dbraw/zinc/45/08/30/166450830.db2.gz	DNAGHKAZJYATJE-GFCCVEGCSA-N	0	0	186.339	3.467	10	0		AGAERN
CC(C)CC[C@@H](C)Nc1cccnc1	19884514	166450895	/nfs/dbraw/zinc/45/08/95/166450895.db2.gz	RSBURBOCGXBWOR-LLVKDONJSA-N	0	0	192.306	3.318	10	0		AGAERN
CC(C)CCO[C@@H](C)OCC(C)C	33606540	166451063	/nfs/dbraw/zinc/45/10/63/166451063.db2.gz	PFGKDSOUFDQBLI-LLVKDONJSA-N	0	0	188.311	3.068	10	0		AGAERN
CC(C)CC[C@H](C)Nc1cccnc1	19884516	166451700	/nfs/dbraw/zinc/45/17/00/166451700.db2.gz	RSBURBOCGXBWOR-NSHDSACASA-N	0	0	192.306	3.318	10	0		AGAERN
CC(C)CC[C@@](C)(O)c1ccccc1	34568320	166452086	/nfs/dbraw/zinc/45/20/86/166452086.db2.gz	OBKBBVYHPPETJT-CYBMUJFWSA-N	0	0	192.302	3.330	10	0		AGAERN
CC(C)CC[C@H]1C[C@@H](C)CCC1=O	44468450	166453466	/nfs/dbraw/zinc/45/34/66/166453466.db2.gz	PSMSNLDBFQXKHK-QWRGUYRKSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)CNc1cc(Cl)ccc1O	83343307	166476832	/nfs/dbraw/zinc/47/68/32/166476832.db2.gz	XCROAKJQYWIRPW-UHFFFAOYSA-N	0	0	199.681	3.114	10	0		AGAERN
CC(C)CNc1nc(C(C)C)cs1	61714674	166477313	/nfs/dbraw/zinc/47/73/13/166477313.db2.gz	RTUOARFQDJFIBP-UHFFFAOYSA-N	0	0	198.335	3.334	10	0		AGAERN
CC(C)CSCc1cccc(N)c1	20484266	166480094	/nfs/dbraw/zinc/48/00/94/166480094.db2.gz	GOLWVGRSFCAGGF-UHFFFAOYSA-N	0	0	195.331	3.158	10	0		AGAERN
CC(C)CSc1ccc(F)cc1N	20484038	166480144	/nfs/dbraw/zinc/48/01/44/166480144.db2.gz	NKMZLMPZDDYXQK-UHFFFAOYSA-N	0	0	199.294	3.156	10	0		AGAERN
CC(C)CSc1cccc(N)c1	37668182	166480255	/nfs/dbraw/zinc/48/02/55/166480255.db2.gz	DOJQBZDNLHHVJE-UHFFFAOYSA-N	0	0	181.304	3.017	10	0		AGAERN
CC(C)CSc1cccc(F)c1N	37420735	166480705	/nfs/dbraw/zinc/48/07/05/166480705.db2.gz	CSHCBQVFUAPUMF-UHFFFAOYSA-N	0	0	199.294	3.156	10	0		AGAERN
CC(C)C[C@@H](C)n1cc[nH]c1=S	37265210	166482803	/nfs/dbraw/zinc/48/28/03/166482803.db2.gz	QTIDNNKWFALJBY-MRVPVSSYSA-N	0	0	184.308	3.153	10	0		AGAERN
CC(C)C[C@@H](O)[C@@H]1CCC[C@@H](C)C1	44980090	166486395	/nfs/dbraw/zinc/48/63/95/166486395.db2.gz	JNCABLBJJAPBIQ-IJLUTSLNSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@@](C)(O)c1ccc(F)cc1	37379351	166490564	/nfs/dbraw/zinc/49/05/64/166490564.db2.gz	HHSQVRWWSDYVJK-GFCCVEGCSA-N	0	0	196.265	3.079	10	0		AGAERN
CC(C)C[C@H](C)Nc1ccccc1N	37264607	166492995	/nfs/dbraw/zinc/49/29/95/166492995.db2.gz	MJWUSJMHLQXHHR-JTQLQIEISA-N	0	0	192.306	3.115	10	0		AGAERN
CC(C)C[C@H](C)n1cc[nH]c1=S	37265211	166493442	/nfs/dbraw/zinc/49/34/42/166493442.db2.gz	QTIDNNKWFALJBY-QMMMGPOBSA-N	0	0	184.308	3.153	10	0		AGAERN
CC(C)C[C@H](C)Nc1cccc(O)c1	20193445	166493915	/nfs/dbraw/zinc/49/39/15/166493915.db2.gz	VFYISYMXYSCJLT-JTQLQIEISA-N	0	0	193.290	3.239	10	0		AGAERN
CC(C)C[C@H](C)Oc1cccc(F)n1	40711337	166494092	/nfs/dbraw/zinc/49/40/92/166494092.db2.gz	STNJNFYOTMOZJE-VIFPVBQESA-N	0	0	197.253	3.034	10	0		AGAERN
CC(C)C[C@H](O)C1CCC(C)CC1	44983468	166495264	/nfs/dbraw/zinc/49/52/64/166495264.db2.gz	AHPZCRWMBWLHAE-MCIGGMRASA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@H]1C[C@@H](C)CCC1=O	34448968	166498430	/nfs/dbraw/zinc/49/84/30/166498430.db2.gz	QAGUPSLYMIJOMM-UWVGGRQHSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)Cc1nc2ccccc2o1	5442014	166502937	/nfs/dbraw/zinc/50/29/37/166502937.db2.gz	ZORIKMFUXMCILS-UHFFFAOYSA-N	0	0	175.231	3.026	10	0		AGAERN
CC(C)Cc1nc2cccc(F)c2o1	62521917	166503899	/nfs/dbraw/zinc/50/38/99/166503899.db2.gz	WOYLOKRBLFOQNP-UHFFFAOYSA-N	0	0	193.221	3.165	10	0		AGAERN
CC(C)Cc1nc2cc(F)ccc2o1	62521914	166504688	/nfs/dbraw/zinc/50/46/88/166504688.db2.gz	GCUXDLLOTDPLRJ-UHFFFAOYSA-N	0	0	193.221	3.165	10	0		AGAERN
CC(C)Nc1ncc(C(C)(C)C)s1	61877234	166552573	/nfs/dbraw/zinc/55/25/73/166552573.db2.gz	KCCNETSTDGEQQI-UHFFFAOYSA-N	0	0	198.335	3.261	10	0		AGAERN
CC(C)SCCNc1ccccc1	41580163	166564475	/nfs/dbraw/zinc/56/44/75/166564475.db2.gz	JAMJJTRQTGTDNA-UHFFFAOYSA-N	0	0	195.331	3.240	10	0		AGAERN
CC(C)S[C@H](C)c1cccc(N)c1	40908693	166566191	/nfs/dbraw/zinc/56/61/91/166566191.db2.gz	MBKGRCQUDUAIBI-SECBINFHSA-N	0	0	195.331	3.471	10	0		AGAERN
CC(C)S[C@H](C)c1ccc(N)cc1	40909359	166566835	/nfs/dbraw/zinc/56/68/35/166566835.db2.gz	UPOFSCYMYNJCRH-SECBINFHSA-N	0	0	195.331	3.471	10	0		AGAERN
CC(C)[C@@H](C)C(=O)c1ccccc1	34576472	166569226	/nfs/dbraw/zinc/56/92/26/166569226.db2.gz	PTOYWCASHUHLIV-SNVBAGLBSA-N	0	0	176.259	3.161	10	0		AGAERN
CC(C)[C@@H](CO)c1ccc(Cl)cc1	1599417	166577465	/nfs/dbraw/zinc/57/74/65/166577465.db2.gz	MZYGDCHJNAZTMC-LLVKDONJSA-N	0	0	198.693	3.072	10	0		AGAERN
CC(C)[C@@H](O)CCC1CCCCC1	5761370	166580047	/nfs/dbraw/zinc/58/00/47/166580047.db2.gz	LACJNCMNBFXHBY-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)[C@@H]1CCCc2cccnc21	39104858	166582931	/nfs/dbraw/zinc/58/29/31/166582931.db2.gz	QSIQJZBBKBXYFR-NSHDSACASA-N	0	0	175.275	3.158	10	0		AGAERN
CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)C(C)C	34764860	166587682	/nfs/dbraw/zinc/58/76/82/166587682.db2.gz	GGJJMAGZRDEKKB-FRRDWIJNSA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1F	95924535	166588105	/nfs/dbraw/zinc/58/81/05/166588105.db2.gz	QFWBGMBGALACAU-KXUCPTDWSA-N	0	0	158.260	3.417	10	0		AGAERN
CC(C)[C@@H]1C[C@@H]1c1ccccc1	95923546	166590026	/nfs/dbraw/zinc/59/00/26/166590026.db2.gz	ACABZBGQXFLDAB-NWDGAFQWSA-N	0	0	160.260	3.446	10	0		AGAERN
CC(C)[C@@H]1C[C@H]1c1ccccc1N	39104816	166592710	/nfs/dbraw/zinc/59/27/10/166592710.db2.gz	KKVKXPAKUWVOQW-QWRGUYRKSA-N	0	0	175.275	3.028	10	0		AGAERN
CC(C)[C@@]1(C)C=Nc2ccccc21	39104709	166595408	/nfs/dbraw/zinc/59/54/08/166595408.db2.gz	CLTARMIOYINYSV-GFCCVEGCSA-N	0	0	173.259	3.316	10	0		AGAERN
CC(C)[C@@]1(O)C[C@@H](C)CC(C)(C)C1	37375545	166596498	/nfs/dbraw/zinc/59/64/98/166596498.db2.gz	MYPPXGVTVMBCMD-CMPLNLGQSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@H](C)Nc1ccc(F)cc1F	19952122	166602480	/nfs/dbraw/zinc/60/24/80/166602480.db2.gz	UMWFOTPIXNREKQ-QMMMGPOBSA-N	0	0	199.244	3.421	10	0		AGAERN
CC(C)[C@H](C)Nc1c(F)cccc1F	20476205	166604012	/nfs/dbraw/zinc/60/40/12/166604012.db2.gz	LQODETQKBAFJLP-QMMMGPOBSA-N	0	0	199.244	3.421	10	0		AGAERN
CC(C)[C@H]1C=C[C@@H](C)CC1	108834241	166611897	/nfs/dbraw/zinc/61/18/97/166611897.db2.gz	WHNGPXQYYRWQAS-ZJUUUORDSA-N	0	0	138.254	3.245	10	0		AGAERN
CC(C)[C@H]1CC(=O)c2cc(F)ccc21	41205851	166613871	/nfs/dbraw/zinc/61/38/71/166613871.db2.gz	WYYBFJAPTXOWKC-SNVBAGLBSA-N	0	0	192.233	3.152	10	0		AGAERN
CC(C)[C@H]1CCC(=O)[C@H](C(C)C)C1	4692354	166614382	/nfs/dbraw/zinc/61/43/82/166614382.db2.gz	MJKJQQXCEJLPEH-QWRGUYRKSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)[C@H]1CNc2cc(F)ccc2C1	11987572	166617778	/nfs/dbraw/zinc/61/77/78/166617778.db2.gz	VDJFGARHCLLZEV-SNVBAGLBSA-N	0	0	193.265	3.066	10	0		AGAERN
CC(C)[C@H]1Cc2ccc(Cl)cc2N1	71484672	166619373	/nfs/dbraw/zinc/61/93/73/166619373.db2.gz	KRIKUEJCMZWPCC-SNVBAGLBSA-N	0	0	195.693	3.333	10	0		AGAERN
CC(C)[C@H]1C[C@@H]1c1ccccc1	95923547	166619937	/nfs/dbraw/zinc/61/99/37/166619937.db2.gz	ACABZBGQXFLDAB-VXGBXAGGSA-N	0	0	160.260	3.446	10	0		AGAERN
CC(C)[C@]1(C)CC(C)(C)N=N1	39103273	166621257	/nfs/dbraw/zinc/62/12/57/166621257.db2.gz	LVJWCVXSEHLZMW-VIFPVBQESA-N	0	0	154.257	3.036	10	0		AGAERN
CC(C)[C@]12CC[C@@H](C)[C@H]1C2	64624097	166624062	/nfs/dbraw/zinc/62/40/62/166624062.db2.gz	GCTNBVHDRFKLLK-OPRDCNLKSA-N	0	0	138.254	3.079	10	0	in-vitro	AGAERN
CC(C)c1cc(CC2CC2)ccc1O	95710298	166625432	/nfs/dbraw/zinc/62/54/32/166625432.db2.gz	JONBPSXDFLUXHL-UHFFFAOYSA-N	0	0	190.286	3.468	10	0		AGAERN
CC(C)c1cc(N)c(N)c(C(C)C)c1	59174251	166625562	/nfs/dbraw/zinc/62/55/62/166625562.db2.gz	UEYMSDNDMQRAGI-UHFFFAOYSA-N	0	0	192.306	3.098	10	0		AGAERN
CC(C)c1cc2cc(F)ccc2[nH]1	34432706	166629385	/nfs/dbraw/zinc/62/93/85/166629385.db2.gz	XESKRGJWTONARW-UHFFFAOYSA-N	0	0	177.222	3.430	10	0		AGAERN
CC(C)c1cc2ccccn2c1	39103636	166629835	/nfs/dbraw/zinc/62/98/35/166629835.db2.gz	LLQNUSLAPPNLKW-UHFFFAOYSA-N	0	0	159.232	3.063	10	0		AGAERN
CC(C)c1ccc(/C=C/[C@@H](C)O)cc1	77275503	166630454	/nfs/dbraw/zinc/63/04/54/166630454.db2.gz	SLVGTZHVTFYEFE-SGUJLRQBSA-N	0	0	190.286	3.204	10	0		AGAERN
CC(C)c1ccc(F)cc1F	75838811	166631292	/nfs/dbraw/zinc/63/12/92/166631292.db2.gz	CZTVXRSMLZRUMJ-UHFFFAOYSA-N	0	0	156.175	3.088	10	0		AGAERN
CC(C)c1ccc(Cl)cc1O	95710435	166631306	/nfs/dbraw/zinc/63/13/06/166631306.db2.gz	IULZIXOSMDNWLV-UHFFFAOYSA-N	0	0	170.639	3.169	10	0		AGAERN
CC(C)c1ccc(F)c(OC2CC2)c1	95723029	166631486	/nfs/dbraw/zinc/63/14/86/166631486.db2.gz	PDLCWRHGWPQGCQ-UHFFFAOYSA-N	0	0	194.249	3.490	10	0		AGAERN
CC(C)c1ccc(N)cc1Cl	34186658	166632579	/nfs/dbraw/zinc/63/25/79/166632579.db2.gz	RROSMHZQLKYMGM-UHFFFAOYSA-N	0	0	169.655	3.046	10	0		AGAERN
CC(C)c1ccc(OC2CC2)cc1F	95721040	166632596	/nfs/dbraw/zinc/63/25/96/166632596.db2.gz	WUPZTPRAFVHCKC-UHFFFAOYSA-N	0	0	194.249	3.490	10	0		AGAERN
CC(C)c1ccc2c(c1)C(=O)[C@@H](C)C2	41204220	166633516	/nfs/dbraw/zinc/63/35/16/166633516.db2.gz	WQMYPDSAFDCWDP-VIFPVBQESA-N	0	0	188.270	3.185	10	0		AGAERN
CC(C)c1ccc2c(c1)C[C@@H](C)N2	71484184	166633578	/nfs/dbraw/zinc/63/35/78/166633578.db2.gz	ZKPPXNBYRFCUHZ-SECBINFHSA-N	0	0	175.275	3.167	10	0		AGAERN
CC(C)c1ccc2c(c1)CCC2	49778417	166633599	/nfs/dbraw/zinc/63/35/99/166633599.db2.gz	XPQDAIPCBCVWIJ-UHFFFAOYSA-N	0	0	160.260	3.299	10	0		AGAERN
CC(C)c1ccc2c(c1)[C@H](O)C[C@@H]2C	82618478	166633614	/nfs/dbraw/zinc/63/36/14/166633614.db2.gz	VCYWQCBWVBXVBR-TVQRCGJNSA-N	0	0	190.286	3.351	10	0		AGAERN
CC(C)c1ccc2c(c1)C=CCN2	71479734	166633809	/nfs/dbraw/zinc/63/38/09/166633809.db2.gz	IBAWTOKBFNOUGD-UHFFFAOYSA-N	0	0	173.259	3.249	10	0		AGAERN
CC(C)c1ccc2ccccc2n1	28002648	166633964	/nfs/dbraw/zinc/63/39/64/166633964.db2.gz	QQKLFCIOCMYHJV-UHFFFAOYSA-N	0	0	171.243	3.358	10	0		AGAERN
CC(C)c1ccc2c(c1)NC[C@H](C)O2	58235156	166634209	/nfs/dbraw/zinc/63/42/09/166634209.db2.gz	FWKWRYHIWZDGPO-VIFPVBQESA-N	0	0	191.274	3.003	10	0		AGAERN
CC(C)c1ccc2nc(C=O)ccc2c1	1526686	166634313	/nfs/dbraw/zinc/63/43/13/166634313.db2.gz	PZADGCHBJYKHMW-UHFFFAOYSA-N	0	0	199.253	3.171	10	0		AGAERN
CC(C)c1ccc2c(c1)C(=O)C[C@@H]2C	41204224	166634395	/nfs/dbraw/zinc/63/43/95/166634395.db2.gz	CBOSAEWRHKAOBT-VIFPVBQESA-N	0	0	188.270	3.500	10	0		AGAERN
CC(C)c1ccc2c(c1)C[C@@H](C)CN2	11633208	166634535	/nfs/dbraw/zinc/63/45/35/166634535.db2.gz	VNUPZHIYVQONDC-SNVBAGLBSA-N	0	0	189.302	3.414	10	0		AGAERN
CC(C)c1nc(C(C)(C)C)sc1N	50309316	166639221	/nfs/dbraw/zinc/63/92/21/166639221.db2.gz	UGKUOMPMJBHWQV-UHFFFAOYSA-N	0	0	198.335	3.146	10	0		AGAERN
CC(C)c1nc2c(s1)CSCC2	75839012	166642231	/nfs/dbraw/zinc/64/22/31/166642231.db2.gz	XFLNOUFZIXKTME-UHFFFAOYSA-N	0	0	199.344	3.056	10	0		AGAERN
CC(C)c1nc2cccc(N)c2s1	62521888	166642892	/nfs/dbraw/zinc/64/28/92/166642892.db2.gz	CLIFMVAOKQFIIV-UHFFFAOYSA-N	0	0	192.287	3.002	10	0		AGAERN
CC(C)c1nccc2ccsc12	39123452	166646310	/nfs/dbraw/zinc/64/63/10/166646310.db2.gz	BYEJKQVSDSAZLJ-UHFFFAOYSA-N	0	0	177.272	3.420	10	0		AGAERN
CC(C)c1noc([C@@H]2CC=CCC2)n1	335809043	166648288	/nfs/dbraw/zinc/64/82/88/166648288.db2.gz	BPNWWUIKHXCCHL-SECBINFHSA-N	0	0	192.262	3.017	10	0		AGAERN
CC(C)n1cccc1-c1ccco1	39104838	166649669	/nfs/dbraw/zinc/64/96/69/166649669.db2.gz	XTVZHZBBOTWYOV-UHFFFAOYSA-N	0	0	175.231	3.329	10	0		AGAERN
CC(C)n1cc2ccsc2c1	39104011	166650183	/nfs/dbraw/zinc/65/01/83/166650183.db2.gz	KYSABJFDEWSQSH-UHFFFAOYSA-N	0	0	165.261	3.284	10	0		AGAERN
CC(C)n1cnc2ccc(Cl)cc21	40417336	166650671	/nfs/dbraw/zinc/65/06/71/166650671.db2.gz	RBCQDSYQGIKDSJ-UHFFFAOYSA-N	0	0	194.665	3.271	10	0		AGAERN
CC(C)n1cnc2c1[C@@H](C)CC[C@@H]2C	76088220	166651697	/nfs/dbraw/zinc/65/16/97/166651697.db2.gz	BPCIMXZWSVNBLF-UWVGGRQHSA-N	0	0	192.306	3.465	10	0		AGAERN
CC1(C(=O)c2c[nH]c3ccccc23)CC1	71507874	166664167	/nfs/dbraw/zinc/66/41/67/166664167.db2.gz	AGUAYWUDQZNAGB-UHFFFAOYSA-N	0	0	199.253	3.151	10	0		AGAERN
CC1(C)C=C[C@@](C)(c2ccccc2)O1	169344278	166668009	/nfs/dbraw/zinc/66/80/09/166668009.db2.gz	UQWWUPKHKVGJSN-ZDUSSCGKSA-N	0	0	188.270	3.267	10	0		AGAERN
CC1(C)CCC=C2C[C@@](C)(O)CC[C@@H]21	5762201	166672248	/nfs/dbraw/zinc/67/22/48/166672248.db2.gz	GPVOTKFXWGURGP-AAEUAGOBSA-N	0	0	194.318	3.284	10	0		AGAERN
CC1(C)CCC[C@]2(C)[C@@H](O)C=CC[C@H]12	6050234	166674748	/nfs/dbraw/zinc/67/47/48/166674748.db2.gz	HWADAVOOYLUVSY-MDZLAQPJSA-N	0	0	194.318	3.140	10	0		AGAERN
CC1(C)CCC[C@]2(C)[C@@H](O)CCC[C@@H]12	5727733	166674901	/nfs/dbraw/zinc/67/49/01/166674901.db2.gz	XEXHTLZDQKEMHI-GVXVVHGQSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1(C)CCCc2ccc(C=O)cc21	5762300	166674948	/nfs/dbraw/zinc/67/49/48/166674948.db2.gz	HJLINOOPKOQYJI-UHFFFAOYSA-N	0	0	188.270	3.113	10	0		AGAERN
CC1(C)Cc2c(Cl)cccc2C1=O	96331955	166691087	/nfs/dbraw/zinc/69/10/87/166691087.db2.gz	OGWNZKBGVWCPHC-UHFFFAOYSA-N	0	0	194.661	3.105	10	0		AGAERN
CC1(C)C[C@H]1c1cccc2c1NCC2	89210215	166691382	/nfs/dbraw/zinc/69/13/82/166691382.db2.gz	ZUQWUNMJOTYFKT-NSHDSACASA-N	0	0	187.286	3.168	10	0		AGAERN
CC1(C)[C@@H](O)CC[C@]2(C)CCCC[C@@H]12	5727839	166699440	/nfs/dbraw/zinc/69/94/40/166699440.db2.gz	KNLXUOXPWXEJME-GVXVVHGQSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1(O)CCC(c2ccccc2)CC1	36372745	166708818	/nfs/dbraw/zinc/70/88/18/166708818.db2.gz	TUIFOAUPMVTQPS-UHFFFAOYSA-N	0	0	190.286	3.095	10	0		AGAERN
CC1(n2cccc2)CCCCC1	45046524	166710031	/nfs/dbraw/zinc/71/00/31/166710031.db2.gz	WYSLNSGVVSTQGP-UHFFFAOYSA-N	0	0	163.264	3.167	10	0		AGAERN
CC1(n2cc[nH]c2=S)CCCCC1	45046260	166711102	/nfs/dbraw/zinc/71/11/02/166711102.db2.gz	MMMQIKZQANDNCT-UHFFFAOYSA-N	0	0	196.319	3.225	10	0		AGAERN
CC1=C(C)Cc2c(C)[nH]c(C)c2C1	39111418	166713510	/nfs/dbraw/zinc/71/35/10/166713510.db2.gz	DRHKAUOYEINBIR-UHFFFAOYSA-N	0	0	175.275	3.067	10	0		AGAERN
CC1=C(C)C(C)(C)CC=C1	2046354	166713598	/nfs/dbraw/zinc/71/35/98/166713598.db2.gz	RSTKTCUSOWRUNR-UHFFFAOYSA-N	0	0	136.238	3.309	10	0		AGAERN
CC1=CCCC(C)(C)[C@@]12C=C[C@H](C)O2	6037321	166722010	/nfs/dbraw/zinc/72/20/10/166722010.db2.gz	BXVWNVFSJFBMTG-WCQYABFASA-N	0	0	192.302	3.466	10	0		AGAERN
CC1=CCCC(C)(C)/C1=C/C[C@@H](C)O	100230346	166722977	/nfs/dbraw/zinc/72/29/77/166722977.db2.gz	BNZGHWQRSDLGKB-OYGDSYQHSA-N	0	0	194.318	3.450	10	0	in-vitro	AGAERN
CC1=CC[C@@H](C/C=C/[C@@H](C)O)C1(C)C	5767238	166725031	/nfs/dbraw/zinc/72/50/31/166725031.db2.gz	URNLHHLCLTVYHH-IEVRTODYSA-N	0	0	194.318	3.306	10	0		AGAERN
CC1=CC[C@@H](C/C=C(\C)CO)C1(C)C	33953790	166725126	/nfs/dbraw/zinc/72/51/26/166725126.db2.gz	MTVBNJVZZAQKRV-SBKJXLNCSA-N	0	0	194.318	3.308	10	0		AGAERN
CC1=CC[C@@H](CC[C@@H](C)CO)C1(C)C	2090918	166725366	/nfs/dbraw/zinc/72/53/66/166725366.db2.gz	CYVGAJHMMVDTDZ-ZYHUDNBSSA-N	0	0	196.334	3.387	10	0		AGAERN
CC1=C[C@@H](C(C)C)N=NC(C)=C1	39103980	166730673	/nfs/dbraw/zinc/73/06/73/166730673.db2.gz	KZPFZEVEKATFEC-JTQLQIEISA-N	0	0	164.252	3.327	10	0		AGAERN
CC1=C[C@@H]2CC(C)(C)OC[C@@H]2C[C@@H]1C	238476643	166730758	/nfs/dbraw/zinc/73/07/58/166730758.db2.gz	HIHXXYCXFIAFGQ-TUAOUCFPSA-N	0	0	194.318	3.404	10	0		AGAERN
CC1=C[C@H](C)[C@H](/C=C/[C@@H](C)O)[C@@H](C)C1	6037338	166731490	/nfs/dbraw/zinc/73/14/90/166731490.db2.gz	WQTLBWPUJXRBIN-DMUXZVFXSA-N	0	0	194.318	3.162	10	0		AGAERN
CC1=C[C@H](c2ccccc2)O[C@@H](C)C1	6037336	166731528	/nfs/dbraw/zinc/73/15/28/166731528.db2.gz	KJAJQPSBQHSPCZ-WCQYABFASA-N	0	0	188.270	3.483	10	0		AGAERN
CC1=C[C@H]2CC(C)(C)OC[C@@H]2C[C@H]1C	38645350	166732045	/nfs/dbraw/zinc/73/20/45/166732045.db2.gz	HIHXXYCXFIAFGQ-WOPDTQHZSA-N	0	0	194.318	3.404	10	0		AGAERN
CC1=C[C@H]2CC(C)(C)OC[C@H]2C[C@H]1C	38645344	166732105	/nfs/dbraw/zinc/73/21/05/166732105.db2.gz	HIHXXYCXFIAFGQ-GRYCIOLGSA-N	0	0	194.318	3.404	10	0		AGAERN
CC1=C[C@H](c2ccccc2)O[C@H](C)C1	6030622	166732275	/nfs/dbraw/zinc/73/22/75/166732275.db2.gz	KJAJQPSBQHSPCZ-DGCLKSJQSA-N	0	0	188.270	3.483	10	0		AGAERN
CC1CCC(C(=O)C(C)C)CC1	44983335	166742832	/nfs/dbraw/zinc/74/28/32/166742832.db2.gz	JSSXWCPTKFRHMT-UHFFFAOYSA-N	0	0	168.280	3.038	10	0		AGAERN
CC1CCC(C2CCC(O)CC2)CC1	21989173	166743128	/nfs/dbraw/zinc/74/31/28/166743128.db2.gz	SHSRGVNMGWTUBZ-UHFFFAOYSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1CCC(C(=O)C(C)(C)C)CC1	52231673	166743643	/nfs/dbraw/zinc/74/36/43/166743643.db2.gz	UAUQKDGLQMKNRS-UHFFFAOYSA-N	0	0	182.307	3.428	10	0		AGAERN
CC1CCC([C@@H](O)C2CCCC2)CC1	44983464	166745517	/nfs/dbraw/zinc/74/55/17/166745517.db2.gz	NXGHIFLTXHZTGS-GDKBPFBDSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1CCC([C@H](O)C(C)(C)C)CC1	52231804	166746255	/nfs/dbraw/zinc/74/62/55/166746255.db2.gz	DTRDAVPAOCAEEK-ILDUYXDCSA-N	0	0	184.323	3.220	10	0		AGAERN
CC1CCC([C@@H](C)[C@H](C)CO)CC1	38636411	166747157	/nfs/dbraw/zinc/74/71/57/166747157.db2.gz	JADYNECLVZHQIE-UPOSSJBDSA-N	0	0	184.323	3.077	10	0		AGAERN
CC1C[C@@H](C)C(C)[C@H](C)C1	90376208	166753378	/nfs/dbraw/zinc/75/33/78/166753378.db2.gz	HLPYGMSCWOQRJN-DSAQSWLYSA-N	0	0	140.270	3.325	10	0		AGAERN
CCC(=O)CCCc1cccs1	41202161	166755042	/nfs/dbraw/zinc/75/50/42/166755042.db2.gz	FKUQSHRJHXMXMZ-UHFFFAOYSA-N	0	0	182.288	3.050	10	0		AGAERN
CCC(=O)CSC1CCCCC1	50182040	166759970	/nfs/dbraw/zinc/75/99/70/166759970.db2.gz	LEKKFHQKUSWWIH-UHFFFAOYSA-N	0	0	186.320	3.031	10	0		AGAERN
CCC(=O)[C@@H](C)C1CCCCC1	76596810	166772821	/nfs/dbraw/zinc/77/28/21/166772821.db2.gz	VSGHQMVSHALPID-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CCC(=O)[C@H](C)Cc1cccc(C)c1	41205053	166773266	/nfs/dbraw/zinc/77/32/66/166773266.db2.gz	YTRVSPNAMAZUBG-LLVKDONJSA-N	0	0	190.286	3.153	10	0		AGAERN
CCC(=O)[C@H](C)C(CC)CC	87158204	166773434	/nfs/dbraw/zinc/77/34/34/166773434.db2.gz	QGWICBSPPIODGZ-MRVPVSSYSA-N	0	0	156.269	3.038	10	0		AGAERN
CCC(=O)[C@H](C)C1CCCCC1	76596812	166773456	/nfs/dbraw/zinc/77/34/56/166773456.db2.gz	VSGHQMVSHALPID-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC(=O)[C@@H](C)c1ccccc1Cl	38301887	166774431	/nfs/dbraw/zinc/77/44/31/166774431.db2.gz	IWIWHAGKRZFFTO-QMMMGPOBSA-N	0	0	196.677	3.423	10	0		AGAERN
CCC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1	33607989	166774485	/nfs/dbraw/zinc/77/44/85/166774485.db2.gz	AQNZBQGJMZUXQX-VHSXEESVSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(=O)O[C@H]1C[C@H](C)CC(C)(C)C1	5711024	166774741	/nfs/dbraw/zinc/77/47/41/166774741.db2.gz	YVDQNZNDUJCCJU-UWVGGRQHSA-N	0	0	198.306	3.154	10	0		AGAERN
CCC(=O)c1cc(C)n(C(C)C)c1C	82588779	166776665	/nfs/dbraw/zinc/77/66/65/166776665.db2.gz	RRZHLDJUNBUTII-UHFFFAOYSA-N	0	0	193.290	3.279	10	0		AGAERN
CCC(=O)c1cc2ccccc2o1	39279639	166777022	/nfs/dbraw/zinc/77/70/22/166777022.db2.gz	FJXUHBROUDEKBH-UHFFFAOYSA-N	0	0	174.199	3.026	10	0		AGAERN
CCC(C)(C)C(=O)C(C)(C)C	1587684	166779266	/nfs/dbraw/zinc/77/92/66/166779266.db2.gz	HOOFDCOHJNVWRB-UHFFFAOYSA-N	0	0	156.269	3.038	10	0		AGAERN
CCC(C)(C)Oc1ccc(N)c(C)c1	35278475	166783957	/nfs/dbraw/zinc/78/39/57/166783957.db2.gz	SFRUSACNXGPSGQ-UHFFFAOYSA-N	0	0	193.290	3.145	10	0		AGAERN
CCC(C)(C)Nc1ccc(C)cc1N	36964572	166784189	/nfs/dbraw/zinc/78/41/89/166784189.db2.gz	GLAUVEKEBGBKAR-UHFFFAOYSA-N	0	0	192.306	3.178	10	0		AGAERN
CCC(C)(C)Oc1ccc(N)cc1C	36950281	166784409	/nfs/dbraw/zinc/78/44/09/166784409.db2.gz	MNLRQYDUILBVKK-UHFFFAOYSA-N	0	0	193.290	3.145	10	0		AGAERN
CCC(C)(C)Nc1ccc(N)cc1F	20584612	166784416	/nfs/dbraw/zinc/78/44/16/166784416.db2.gz	BMEGFMQRBJZYKX-UHFFFAOYSA-N	0	0	196.269	3.008	10	0		AGAERN
CCC(CC)C(=O)C(C)(C)CC	162799349	166788833	/nfs/dbraw/zinc/78/88/33/166788833.db2.gz	ZJCZHQUIOKWKFI-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
CCC(CC)C[C@@H]1CCCC1=O	33609574	166791425	/nfs/dbraw/zinc/79/14/25/166791425.db2.gz	XRFSVJNHSAGDIS-JTQLQIEISA-N	0	0	168.280	3.182	10	0		AGAERN
CCC(CC)Nc1cc(N)cc(F)c1	37666666	166797723	/nfs/dbraw/zinc/79/77/23/166797723.db2.gz	KWQLQFQLYPNEHI-UHFFFAOYSA-N	0	0	196.269	3.008	10	0		AGAERN
CCC(CC)Oc1ccccc1	34413397	166798333	/nfs/dbraw/zinc/79/83/33/166798333.db2.gz	WIDKECXQFLOGFG-UHFFFAOYSA-N	0	0	164.248	3.254	10	0		AGAERN
CCC(CC)Nc1cccnc1Cl	36982883	166798846	/nfs/dbraw/zinc/79/88/46/166798846.db2.gz	RIPYNBZEWDGZPI-UHFFFAOYSA-N	0	0	198.697	3.336	10	0		AGAERN
CCC(Cl)=C(Cl)Cl	3630592	166799536	/nfs/dbraw/zinc/79/95/36/166799536.db2.gz	MPQPMSJLSQSQQB-UHFFFAOYSA-N	0	0	159.443	3.282	10	0		AGAERN
CCC(CC)n1c(C)cc(C=O)c1C	19806643	166800360	/nfs/dbraw/zinc/80/03/60/166800360.db2.gz	KEGIMIOICKRZFE-UHFFFAOYSA-N	0	0	193.290	3.279	10	0		AGAERN
CCC(CC)c1nc2cccnc2o1	74328084	166801098	/nfs/dbraw/zinc/80/10/98/166801098.db2.gz	YWZWNRGTBRJBSG-UHFFFAOYSA-N	0	0	190.246	3.126	10	0		AGAERN
CCC/C=C(/C)CC	2545209	166803656	/nfs/dbraw/zinc/80/36/56/166803656.db2.gz	AAUHUDBDDBJONC-FPLPWBNLSA-N	0	0	112.216	3.143	10	0		AGAERN
CCC1(CC)CNc2ccccc2O1	58235417	166805797	/nfs/dbraw/zinc/80/57/97/166805797.db2.gz	IGAIZIZRZQTNJI-UHFFFAOYSA-N	0	0	191.274	3.050	10	0		AGAERN
CCC1(CC)CNc2ccccc2N1	76861081	166806415	/nfs/dbraw/zinc/80/64/15/166806415.db2.gz	VOURJPYHVFMRBO-UHFFFAOYSA-N	0	0	190.290	3.083	10	0		AGAERN
CCC1=C(C)CC[C@]1(C)C(C)=O	32226101	166810887	/nfs/dbraw/zinc/81/08/87/166810887.db2.gz	NVARHWHQJWQHDX-LLVKDONJSA-N	0	0	166.264	3.102	10	0		AGAERN
CCC1=CCCC[C@H]1C	111484483	166811535	/nfs/dbraw/zinc/81/15/35/166811535.db2.gz	SZQINPXTYBNYCZ-MRVPVSSYSA-N	0	0	124.227	3.143	10	0		AGAERN
CCCC(=O)c1cc2ccccc2o1	39408289	166834304	/nfs/dbraw/zinc/83/43/04/166834304.db2.gz	WHWXGPFAKAGINR-UHFFFAOYSA-N	0	0	188.226	3.416	10	0		AGAERN
CCCC(=O)c1ccc2[nH]ccc2c1	36437083	166834536	/nfs/dbraw/zinc/83/45/36/166834536.db2.gz	FQVKDBWVYSPSME-UHFFFAOYSA-N	0	0	187.242	3.151	10	0		AGAERN
CCCC(=O)c1ccc(CC)s1	36942924	166835672	/nfs/dbraw/zinc/83/56/72/166835672.db2.gz	WOQSSYBGIIVQOR-UHFFFAOYSA-N	0	0	182.288	3.293	10	0		AGAERN
CCCC/C=C/C1(O)CCCCC1	1765512	166836807	/nfs/dbraw/zinc/83/68/07/166836807.db2.gz	ICOITBGCXKPDQU-RMKNXTFCSA-N	0	0	182.307	3.428	10	0		AGAERN
CCCCC(=O)[C@H]1Cc2ccccc21	2029832	166844926	/nfs/dbraw/zinc/84/49/26/166844926.db2.gz	XCLXRGHHJAIZOY-LBPRGKRZSA-N	0	0	188.270	3.086	10	0		AGAERN
CCCCC(=O)c1ccsc1	5308275	166845184	/nfs/dbraw/zinc/84/51/84/166845184.db2.gz	YEKDVGQIWIPINK-UHFFFAOYSA-N	0	0	168.261	3.121	10	0		AGAERN
CCCCC/C=C\CCC(=O)OC	12153846	166846391	/nfs/dbraw/zinc/84/63/91/166846391.db2.gz	CRHITZQXHNFRAZ-FPLPWBNLSA-N	0	0	184.279	3.076	10	0		AGAERN
CCCCC/C=C/CCC(C)=O	38613944	166846937	/nfs/dbraw/zinc/84/69/37/166846937.db2.gz	GAZJVINYNDPROS-BQYQJAHWSA-N	0	0	168.280	3.492	10	0		AGAERN
CCCCCC1=C(C)C(=O)CC1	2517035	166848294	/nfs/dbraw/zinc/84/82/94/166848294.db2.gz	NEZHCMOOOIHCJA-UHFFFAOYSA-N	0	0	166.264	3.246	10	0		AGAERN
CCCCCC(=O)SCCC	14438522	166848864	/nfs/dbraw/zinc/84/88/64/166848864.db2.gz	XWEXGRZJPGGXCY-UHFFFAOYSA-N	0	0	174.309	3.237	10	0	endogenous,in-man	AGAERN
CCCCCC(=O)c1ccc(C)o1	49844611	166848966	/nfs/dbraw/zinc/84/89/66/166848966.db2.gz	QEBKWZQUEWRFRM-UHFFFAOYSA-N	0	0	180.247	3.351	10	0		AGAERN
CCCCCC[C@@H](CO)CCC	33506406	166854417	/nfs/dbraw/zinc/85/44/17/166854417.db2.gz	FFTPMKGZLYSQAS-NSHDSACASA-N	0	0	172.312	3.365	10	0	in-vitro	AGAERN
CCCCCCP(C)(C)=O	2567608	166854436	/nfs/dbraw/zinc/85/44/36/166854436.db2.gz	OCBOQSGCZXEWIH-UHFFFAOYSA-N	0	0	162.213	3.189	10	0		AGAERN
CCCCCC[C@@H](CC)[C@@H](C)O	44469694	166855591	/nfs/dbraw/zinc/85/55/91/166855591.db2.gz	SCRHTSOMOIJEDP-GHMZBOCLSA-N	0	0	172.312	3.364	10	0		AGAERN
CCCCCC[C@@H](C)C(=O)OCC	44082674	166856063	/nfs/dbraw/zinc/85/60/63/166856063.db2.gz	HRJHQOXWONBAJC-SNVBAGLBSA-N	0	0	186.295	3.156	10	0		AGAERN
CCCCCC[C@H](CC)[C@@H](C)O	44469697	166856443	/nfs/dbraw/zinc/85/64/43/166856443.db2.gz	SCRHTSOMOIJEDP-MNOVXSKESA-N	0	0	172.312	3.364	10	0		AGAERN
CCCCCC[C@@H](O)c1ccco1	37633357	166856764	/nfs/dbraw/zinc/85/67/64/166856764.db2.gz	VAQHAZJXEIUTLV-SNVBAGLBSA-N	0	0	182.263	3.283	10	0		AGAERN
CCCCCC[C@H](C)C(=O)OCC	44082677	166857104	/nfs/dbraw/zinc/85/71/04/166857104.db2.gz	HRJHQOXWONBAJC-JTQLQIEISA-N	0	0	186.295	3.156	10	0		AGAERN
CCCCCC[C@H]1CS1	4977948	166857150	/nfs/dbraw/zinc/85/71/50/166857150.db2.gz	FUCNFCAABRZCTR-QMMMGPOBSA-N	0	0	144.283	3.072	10	0		AGAERN
CCCCCC[C@H]1CCCO1	3163252	166857164	/nfs/dbraw/zinc/85/71/64/166857164.db2.gz	PFCMQIWQXUAYPK-JTQLQIEISA-N	0	0	156.269	3.136	10	0		AGAERN
CCCCCC[C@@H]1CCC[C@H]1O	43655889	166857503	/nfs/dbraw/zinc/85/75/03/166857503.db2.gz	CLWLVNYKXTVNCD-GHMZBOCLSA-N	0	0	170.296	3.118	10	0		AGAERN
CCCCCCc1cccc(N)c1	32133862	166859134	/nfs/dbraw/zinc/85/91/34/166859134.db2.gz	DNKCZIYEBRERBA-UHFFFAOYSA-N	0	0	177.291	3.392	10	0		AGAERN
CCCCCCc1nc(C)sc1N	50308158	166861388	/nfs/dbraw/zinc/86/13/88/166861388.db2.gz	VVWCFJQZARBWDR-UHFFFAOYSA-N	0	0	198.335	3.157	10	0		AGAERN
CCCCCNc1cccc(OC)c1	20055757	166866497	/nfs/dbraw/zinc/86/64/97/166866497.db2.gz	ZDQHHTDQOFIHKW-UHFFFAOYSA-N	0	0	193.290	3.297	10	0		AGAERN
CCCCCOc1ccc(NC)cc1	38057101	166868083	/nfs/dbraw/zinc/86/80/83/166868083.db2.gz	BOTPCHFEHFGMIO-UHFFFAOYSA-N	0	0	193.290	3.297	10	0		AGAERN
CCCCCOc1cc(C)ccc1N	19806653	166869686	/nfs/dbraw/zinc/86/96/86/166869686.db2.gz	IIOXHVMPCBZYEA-UHFFFAOYSA-N	0	0	193.290	3.146	10	0		AGAERN
CCCCC[C@H](C)C(=O)CC	82442773	166873035	/nfs/dbraw/zinc/87/30/35/166873035.db2.gz	BYSPXHLWIARMJU-VIFPVBQESA-N	0	0	156.269	3.182	10	0		AGAERN
CCCCC[C@@H](O)C1CCCC1	53785254	166873899	/nfs/dbraw/zinc/87/38/99/166873899.db2.gz	PNNGUDOPIZRUEO-LLVKDONJSA-N	0	0	170.296	3.118	10	0		AGAERN
CCCCC[C@@H](O)c1ccc(C)o1	38251446	166874531	/nfs/dbraw/zinc/87/45/31/166874531.db2.gz	JLQWTRXOCGXGBL-SNVBAGLBSA-N	0	0	182.263	3.202	10	0		AGAERN
CCCCC[C@H](O)C1=CCCCC1	50328834	166875160	/nfs/dbraw/zinc/87/51/60/166875160.db2.gz	VWCRFPGSCYLYCB-LBPRGKRZSA-N	0	0	182.307	3.428	10	0		AGAERN
CCCCC[C@H](O)C(CC)CC	32227398	166875338	/nfs/dbraw/zinc/87/53/38/166875338.db2.gz	XPXGPUFPGMFVJX-NSHDSACASA-N	0	0	172.312	3.364	10	0		AGAERN
CCCCC[C@H](O)C1=CCCC1	34589071	166875505	/nfs/dbraw/zinc/87/55/05/166875505.db2.gz	HEUQWARKAUCLFL-NSHDSACASA-N	0	0	168.280	3.038	10	0		AGAERN
CCCCC[C@H](O)Cc1ccccc1	4071849	166875969	/nfs/dbraw/zinc/87/59/69/166875969.db2.gz	MHRHALZNAHULKK-ZDUSSCGKSA-N	0	0	192.302	3.170	10	0		AGAERN
CCCCC[C@H](CC)C(C)=O	38004215	166876397	/nfs/dbraw/zinc/87/63/97/166876397.db2.gz	FFUFHZPYQXQPTO-JTQLQIEISA-N	0	0	156.269	3.182	10	0		AGAERN
CCCCNc1ccc(Cl)cc1N	20382657	166902317	/nfs/dbraw/zinc/90/23/17/166902317.db2.gz	LOMOKJQOQKQPOB-UHFFFAOYSA-N	0	0	198.697	3.134	10	0		AGAERN
CCCCNc1c(N)cccc1Cl	20382638	166903139	/nfs/dbraw/zinc/90/31/39/166903139.db2.gz	HCXAAOAMIHWPLB-UHFFFAOYSA-N	0	0	198.697	3.134	10	0		AGAERN
CCCCNc1ccc(F)cc1F	19952385	166903934	/nfs/dbraw/zinc/90/39/34/166903934.db2.gz	XIQDLTHOELVUDR-UHFFFAOYSA-N	0	0	185.217	3.177	10	0		AGAERN
CCCCO[C@H](C)c1ccc(N)cc1	40909207	166908897	/nfs/dbraw/zinc/90/88/97/166908897.db2.gz	UXPJMZWEAIXIPI-SNVBAGLBSA-N	0	0	193.290	3.147	10	0		AGAERN
CCCC[C@@H](C)n1cc[nH]c1=S	50889625	166914095	/nfs/dbraw/zinc/91/40/95/166914095.db2.gz	IDAHXFVLHYBUHW-MRVPVSSYSA-N	0	0	184.308	3.297	10	0		AGAERN
CCCC[C@@H](C)Nc1cccc(F)n1	50890636	166914875	/nfs/dbraw/zinc/91/48/75/166914875.db2.gz	ACHZJTBNOSSOMO-SECBINFHSA-N	0	0	196.269	3.211	10	0		AGAERN
CCCC[C@@H](CC)CC(C)(C)O	43456101	166915555	/nfs/dbraw/zinc/91/55/55/166915555.db2.gz	AQFVRCVPDYCSNP-SNVBAGLBSA-N	0	0	172.312	3.364	10	0		AGAERN
CCCC[C@@H](O)c1ccc(F)c(C)c1	36157049	166920029	/nfs/dbraw/zinc/92/00/29/166920029.db2.gz	XMOZLFBSTRZDGB-GFCCVEGCSA-N	0	0	196.265	3.358	10	0		AGAERN
CCCC[C@@H](O)c1cccc(C)c1	36466604	166920031	/nfs/dbraw/zinc/92/00/31/166920031.db2.gz	AAVRLZBLEILGHS-GFCCVEGCSA-N	0	0	178.275	3.219	10	0		AGAERN
CCCC[C@@H]1C=C(C)C[C@H](C)O1	2534704	166920032	/nfs/dbraw/zinc/92/00/32/166920032.db2.gz	OSMLMQQJZVENMX-WDEREUQCSA-N	0	0	168.280	3.300	10	0		AGAERN
CCCC[C@@H](O)c1sccc1C	42731012	166920677	/nfs/dbraw/zinc/92/06/77/166920677.db2.gz	CQBRHRAXZQKKLD-SECBINFHSA-N	0	0	184.304	3.280	10	0		AGAERN
CCCC[C@@](C)(O)Cc1ccccc1	38325174	166922863	/nfs/dbraw/zinc/92/28/63/166922863.db2.gz	NPYBOPLMLHAXAE-CYBMUJFWSA-N	0	0	192.302	3.170	10	0		AGAERN
CCCC[C@H](C)Nc1nc(C)cs1	50889538	166924739	/nfs/dbraw/zinc/92/47/39/166924739.db2.gz	KDQDJCKMZQWVBG-QMMMGPOBSA-N	0	0	198.335	3.442	10	0		AGAERN
CCCC[C@H](CC)CC(C)(C)O	43456103	166924977	/nfs/dbraw/zinc/92/49/77/166924977.db2.gz	AQFVRCVPDYCSNP-JTQLQIEISA-N	0	0	172.312	3.364	10	0		AGAERN
CCCC[C@H](C)n1cccc1	50890647	166924994	/nfs/dbraw/zinc/92/49/94/166924994.db2.gz	VYHQLVTUZBANEK-JTQLQIEISA-N	0	0	151.253	3.239	10	0		AGAERN
CCCC[C@H](O)CCc1ccccc1	34597010	166927615	/nfs/dbraw/zinc/92/76/15/166927615.db2.gz	ROAOZBSINSZYOR-ZDUSSCGKSA-N	0	0	192.302	3.170	10	0		AGAERN
CCCC[C@](O)(CC)c1ccccc1	38409893	166928504	/nfs/dbraw/zinc/92/85/04/166928504.db2.gz	DOEISVYWMMTHCD-CYBMUJFWSA-N	0	0	192.302	3.474	10	0		AGAERN
CCCC[C@H](O)c1ccc(F)cc1	35598608	166928635	/nfs/dbraw/zinc/92/86/35/166928635.db2.gz	SGCWRWKHMFTANJ-NSHDSACASA-N	0	0	182.238	3.049	10	0		AGAERN
CCCC[C@H]1CC(C)=C[C@@H](C)O1	5822228	166928982	/nfs/dbraw/zinc/92/89/82/166928982.db2.gz	KBFFVAYZFNJXAW-MNOVXSKESA-N	0	0	168.280	3.300	10	0		AGAERN
CCCC[C@H]1Cc2ccccc2N1	38234407	166929377	/nfs/dbraw/zinc/92/93/77/166929377.db2.gz	KYBSSUXAGLHRPQ-NSHDSACASA-N	0	0	175.275	3.213	10	0		AGAERN
CCCC[C@](C)(O)Cc1ccccc1	38325173	166929555	/nfs/dbraw/zinc/92/95/55/166929555.db2.gz	NPYBOPLMLHAXAE-ZDUSSCGKSA-N	0	0	192.302	3.170	10	0		AGAERN
CCCC[C@]1(C)CCCCC1=O	39237044	166930805	/nfs/dbraw/zinc/93/08/05/166930805.db2.gz	SGVWFCRSGQMOOV-LLVKDONJSA-N	0	0	168.280	3.326	10	0		AGAERN
CCCCc1nc(C)sc1C	32155223	166931291	/nfs/dbraw/zinc/93/12/91/166931291.db2.gz	RNDHWFULLIRXAI-UHFFFAOYSA-N	0	0	169.293	3.103	10	0	endogenous,in-man	AGAERN
CCCCc1csc(CCC)n1	98089896	166932542	/nfs/dbraw/zinc/93/25/42/166932542.db2.gz	MXSITAWVUFGESV-UHFFFAOYSA-N	0	0	183.320	3.438	10	0		AGAERN
CCCCc1cccc(N)c1Cl	91365437	166933222	/nfs/dbraw/zinc/93/32/22/166933222.db2.gz	FPTPVJXHAPLMDY-UHFFFAOYSA-N	0	0	183.682	3.265	10	0		AGAERN
CCCCn1c(C)cc(C(C)=O)c1C	9246045	166936511	/nfs/dbraw/zinc/93/65/11/166936511.db2.gz	BMYRPMHHWJPFCF-UHFFFAOYSA-N	0	0	193.290	3.108	10	0		AGAERN
CCCN1Sc2ccccc2S1	27647230	166975103	/nfs/dbraw/zinc/97/51/03/166975103.db2.gz	IWCUNHUHSZXIDH-UHFFFAOYSA-N	0	0	197.328	3.426	10	0		AGAERN
CCCNc1ccc(C)cc1Cl	20471128	167004633	/nfs/dbraw/zinc/00/46/33/167004633.db2.gz	AUBYLJHXPXVKTD-UHFFFAOYSA-N	0	0	183.682	3.470	10	0		AGAERN
CCCNc1ccc2ncccc2c1	54107950	167004790	/nfs/dbraw/zinc/00/47/90/167004790.db2.gz	BWLIOFOEERLLEE-UHFFFAOYSA-N	0	0	186.258	3.057	10	0		AGAERN
CCCNc1ccc2ccccc2n1	20546123	167005036	/nfs/dbraw/zinc/00/50/36/167005036.db2.gz	PPLWWARQMSAQTQ-UHFFFAOYSA-N	0	0	186.258	3.057	10	0		AGAERN
CCCNc1cc(C)ccc1Cl	83340875	167005068	/nfs/dbraw/zinc/00/50/68/167005068.db2.gz	CUZAQDIZRJAJMS-UHFFFAOYSA-N	0	0	183.682	3.470	10	0		AGAERN
CCCNc1c(C)cccc1CC	32007067	167005253	/nfs/dbraw/zinc/00/52/53/167005253.db2.gz	CNUAGZDNUCVEGZ-UHFFFAOYSA-N	0	0	177.291	3.379	10	0		AGAERN
CCCNc1ccc(Cl)c(F)c1	37070257	167005467	/nfs/dbraw/zinc/00/54/67/167005467.db2.gz	NHMPVUMNPWNXJC-UHFFFAOYSA-N	0	0	187.645	3.301	10	0		AGAERN
CCCNc1ccc(C)c(O)c1Cl	83343306	167005825	/nfs/dbraw/zinc/00/58/25/167005825.db2.gz	WYBVUYGFWQTHHR-UHFFFAOYSA-N	0	0	199.681	3.176	10	0		AGAERN
CCCNc1cc(OC)ccc1Cl	43316652	167005878	/nfs/dbraw/zinc/00/58/78/167005878.db2.gz	OQKGHHIGNXIKAX-UHFFFAOYSA-N	0	0	199.681	3.171	10	0		AGAERN
CCCNc1ccc(OC(C)C)cc1	26516505	167006067	/nfs/dbraw/zinc/00/60/67/167006067.db2.gz	JGKSPRFPJQJCBM-UHFFFAOYSA-N	0	0	193.290	3.296	10	0		AGAERN
CCCNc1ccc(OCCC)cc1	51785255	167006207	/nfs/dbraw/zinc/00/62/07/167006207.db2.gz	IWMDLVAEVLFQAU-UHFFFAOYSA-N	0	0	193.290	3.297	10	0		AGAERN
CCCNc1c(F)cccc1Cl	83341325	167006330	/nfs/dbraw/zinc/00/63/30/167006330.db2.gz	VHTCNZWKRJSNGM-UHFFFAOYSA-N	0	0	187.645	3.301	10	0		AGAERN
CCCNc1ccc(C)c(OC)c1C	37125929	167006337	/nfs/dbraw/zinc/00/63/37/167006337.db2.gz	VAUYOLYEYTVBLF-UHFFFAOYSA-N	0	0	193.290	3.134	10	0		AGAERN
CCCNc1cc(F)ccc1Cl	83341326	167006361	/nfs/dbraw/zinc/00/63/61/167006361.db2.gz	MWKFMUIDBOKXEI-UHFFFAOYSA-N	0	0	187.645	3.301	10	0		AGAERN
CCCNc1ccc(SC)cc1	19906469	167006426	/nfs/dbraw/zinc/00/64/26/167006426.db2.gz	ULFPRYBFCJXDTM-UHFFFAOYSA-N	0	0	181.304	3.230	10	0		AGAERN
CCCNc1ccc(Cl)c(OC)c1	83343308	167006606	/nfs/dbraw/zinc/00/66/06/167006606.db2.gz	JYRKIBKOUNEMGV-UHFFFAOYSA-N	0	0	199.681	3.171	10	0		AGAERN
CCCNc1cccc(Cl)c1F	20472193	167006831	/nfs/dbraw/zinc/00/68/31/167006831.db2.gz	OMKOWMGVLALRMO-UHFFFAOYSA-N	0	0	187.645	3.301	10	0		AGAERN
CCCNc1cc(Cl)ccc1F	35284162	167007235	/nfs/dbraw/zinc/00/72/35/167007235.db2.gz	BPBUYHZFUVLADA-UHFFFAOYSA-N	0	0	187.645	3.301	10	0		AGAERN
CCCNc1cccc(SC)c1	19900667	167007550	/nfs/dbraw/zinc/00/75/50/167007550.db2.gz	ZZHRWVOHNAGORG-UHFFFAOYSA-N	0	0	181.304	3.230	10	0		AGAERN
CCCNc1nc(C(C)C)c(C)s1	61714409	167007600	/nfs/dbraw/zinc/00/76/00/167007600.db2.gz	SSLYAFXYWAKPNH-UHFFFAOYSA-N	0	0	198.335	3.397	10	0		AGAERN
CCCNc1nccc2sccc12	35687671	167007775	/nfs/dbraw/zinc/00/77/75/167007775.db2.gz	LBGNDLBZUPNNDR-UHFFFAOYSA-N	0	0	192.287	3.118	10	0		AGAERN
CCCNc1ccccc1OCCC	36955636	167008095	/nfs/dbraw/zinc/00/80/95/167008095.db2.gz	LRIFDDKRQOULBQ-UHFFFAOYSA-N	0	0	193.290	3.297	10	0		AGAERN
CCCNc1cnc2ccccc2c1	36990087	167008454	/nfs/dbraw/zinc/00/84/54/167008454.db2.gz	SGUBKQVIOBPQME-UHFFFAOYSA-N	0	0	186.258	3.057	10	0		AGAERN
CCCNc1cccc(OCCC)c1	36995631	167009323	/nfs/dbraw/zinc/00/93/23/167009323.db2.gz	KYOARJALGLRMFM-UHFFFAOYSA-N	0	0	193.290	3.297	10	0		AGAERN
CCCNc1cccc2cnccc12	36954121	167009384	/nfs/dbraw/zinc/00/93/84/167009384.db2.gz	FVWLVACIFOAZNX-UHFFFAOYSA-N	0	0	186.258	3.057	10	0		AGAERN
CCCNc1cccc2c1CCCC2	19906222	167009483	/nfs/dbraw/zinc/00/94/83/167009483.db2.gz	XQEVRPULANZGHJ-UHFFFAOYSA-N	0	0	189.302	3.387	10	0		AGAERN
CCCNc1ncc(C(C)(C)C)s1	61877233	167009538	/nfs/dbraw/zinc/00/95/38/167009538.db2.gz	ACSAAFQJUMRWOK-UHFFFAOYSA-N	0	0	198.335	3.263	10	0		AGAERN
CCCNc1snc2ccccc12	32181483	167009598	/nfs/dbraw/zinc/00/95/98/167009598.db2.gz	JMSNWWKHZFQDKG-UHFFFAOYSA-N	0	0	192.287	3.118	10	0		AGAERN
CCCNc1ccccc1SC	36957533	167009601	/nfs/dbraw/zinc/00/96/01/167009601.db2.gz	FPFCZXSYZBYQPT-UHFFFAOYSA-N	0	0	181.304	3.230	10	0		AGAERN
CCCNc1ccccc1OC(C)C	32008858	167009609	/nfs/dbraw/zinc/00/96/09/167009609.db2.gz	BNVQRVBWXCKMOA-UHFFFAOYSA-N	0	0	193.290	3.296	10	0		AGAERN
CCCOC(C)(C)c1ccccc1	2014853	167011191	/nfs/dbraw/zinc/01/11/91/167011191.db2.gz	PLWOFDYJSDGEAT-UHFFFAOYSA-N	0	0	178.275	3.348	10	0		AGAERN
CCCOC1CCC(C)(C)CC1	39089682	167011216	/nfs/dbraw/zinc/01/12/16/167011216.db2.gz	JHLVXGJCQYYXKQ-UHFFFAOYSA-N	0	0	170.296	3.382	10	0		AGAERN
CCCOCCCc1ccccc1	5647999	167013837	/nfs/dbraw/zinc/01/38/37/167013837.db2.gz	VUNSFNVCZZAWNV-UHFFFAOYSA-N	0	0	178.275	3.046	10	0		AGAERN
CCCOc1cc(C)c(O)c(C)c1C	71456522	167016036	/nfs/dbraw/zinc/01/60/36/167016036.db2.gz	BCNOTTCKGOGYOT-UHFFFAOYSA-N	0	0	194.274	3.106	10	0		AGAERN
CCCOc1cc(C)c(NC)c(C)c1	71456983	167016691	/nfs/dbraw/zinc/01/66/91/167016691.db2.gz	DWFLUBOPRSPHGI-UHFFFAOYSA-N	0	0	193.290	3.134	10	0		AGAERN
CCCOc1ccc(NC)c(C)c1C	71456586	167018599	/nfs/dbraw/zinc/01/85/99/167018599.db2.gz	MYQWGRBSUCDCDP-UHFFFAOYSA-N	0	0	193.290	3.134	10	0		AGAERN
CCCOc1ccc(C(C)C)cc1N	36201608	167019908	/nfs/dbraw/zinc/01/99/08/167019908.db2.gz	IERRGZNEQBKNTD-UHFFFAOYSA-N	0	0	193.290	3.181	10	0		AGAERN
CCCOc1nc2ccccc2s1	45237285	167021090	/nfs/dbraw/zinc/02/10/90/167021090.db2.gz	GCSWYJBYOCZTDD-UHFFFAOYSA-N	0	0	193.271	3.085	10	0		AGAERN
CCCOc1cccc2ccncc12	90449115	167022091	/nfs/dbraw/zinc/02/20/91/167022091.db2.gz	AXVXSMGICGHCAH-UHFFFAOYSA-N	0	0	187.242	3.024	10	0		AGAERN
CCCOc1ccccc1CC	33506126	167022128	/nfs/dbraw/zinc/02/21/28/167022128.db2.gz	YXAVHGJCPBCXJZ-UHFFFAOYSA-N	0	0	164.248	3.038	10	0		AGAERN
CCCOc1cccc2cnccc12	90449111	167022299	/nfs/dbraw/zinc/02/22/99/167022299.db2.gz	VEYWAJPJYHWFBB-UHFFFAOYSA-N	0	0	187.242	3.024	10	0		AGAERN
CCCSCc1cc(F)ccc1N	35308946	167023077	/nfs/dbraw/zinc/02/30/77/167023077.db2.gz	ZZVZHIBMJDHVRM-UHFFFAOYSA-N	0	0	199.294	3.051	10	0		AGAERN
CCCSc1ccc(C=O)s1	7262851	167023278	/nfs/dbraw/zinc/02/32/78/167023278.db2.gz	GBRBOYNSEIMUOF-UHFFFAOYSA-N	0	0	186.301	3.063	10	0		AGAERN
CCCSc1ccc(N)c(C)c1	35278627	167023354	/nfs/dbraw/zinc/02/33/54/167023354.db2.gz	YNQBADWTMXQDPM-UHFFFAOYSA-N	0	0	181.304	3.079	10	0		AGAERN
CCCSc1ccc(C)cc1O	71454399	167023999	/nfs/dbraw/zinc/02/39/99/167023999.db2.gz	LUWGZTGXLXAKGY-UHFFFAOYSA-N	0	0	182.288	3.203	10	0		AGAERN
CCCSc1ccc(C)cc1N	37401723	167024157	/nfs/dbraw/zinc/02/41/57/167024157.db2.gz	HNEUTLMNTWGFRD-UHFFFAOYSA-N	0	0	181.304	3.079	10	0		AGAERN
CCCS[C@@H](C)c1cccc(N)c1	40908650	167024315	/nfs/dbraw/zinc/02/43/15/167024315.db2.gz	RFFWAURNIGJULK-VIFPVBQESA-N	0	0	195.331	3.473	10	0		AGAERN
CCCSc1ccc(NC)cc1	71453221	167024417	/nfs/dbraw/zinc/02/44/17/167024417.db2.gz	BIDKMECEPXZDMN-UHFFFAOYSA-N	0	0	181.304	3.230	10	0		AGAERN
CCCSc1ccc2c(c1)CCN2	89209687	167024525	/nfs/dbraw/zinc/02/45/25/167024525.db2.gz	CJEBGJPMSSGRCR-UHFFFAOYSA-N	0	0	193.315	3.157	10	0		AGAERN
CCCSCCNc1ccccc1	41580165	167024783	/nfs/dbraw/zinc/02/47/83/167024783.db2.gz	KZPVCGKQPKEYET-UHFFFAOYSA-N	0	0	195.331	3.242	10	0		AGAERN
CCCS[C@@H](C)c1ccc(N)cc1	40909316	167024919	/nfs/dbraw/zinc/02/49/19/167024919.db2.gz	HSKPVEHOFVHBRO-VIFPVBQESA-N	0	0	195.331	3.473	10	0		AGAERN
CCCS[C@H](C)c1ccc(N)cc1	40909317	167024953	/nfs/dbraw/zinc/02/49/53/167024953.db2.gz	HSKPVEHOFVHBRO-SECBINFHSA-N	0	0	195.331	3.473	10	0		AGAERN
CCCS[C@H](C)c1cccc(N)c1	40908651	167024982	/nfs/dbraw/zinc/02/49/82/167024982.db2.gz	RFFWAURNIGJULK-SECBINFHSA-N	0	0	195.331	3.473	10	0		AGAERN
CCCSC(=S)C(F)(F)F	7262839	167024984	/nfs/dbraw/zinc/02/49/84/167024984.db2.gz	KDTZSLAWYOQNBM-UHFFFAOYSA-N	0	0	188.239	3.019	10	0		AGAERN
CCCSc1ccc(N)cc1C	36950318	167025133	/nfs/dbraw/zinc/02/51/33/167025133.db2.gz	QZXIKFSAMQIDLP-UHFFFAOYSA-N	0	0	181.304	3.079	10	0		AGAERN
CCC[C@@H](C)C(=O)c1ccc(C)o1	34069343	167028491	/nfs/dbraw/zinc/02/84/91/167028491.db2.gz	OSQYIEASSJQUGU-MRVPVSSYSA-N	0	0	180.247	3.207	10	0		AGAERN
CCC[C@@H](C)COc1ccc(O)cc1	51321671	167028530	/nfs/dbraw/zinc/02/85/30/167028530.db2.gz	NACLDCPKTLYEAZ-SNVBAGLBSA-N	0	0	194.274	3.207	10	0		AGAERN
CCC[C@@H](C)CNc1cccc(F)n1	83342566	167029214	/nfs/dbraw/zinc/02/92/14/167029214.db2.gz	FMQJCVCRGZGRDB-SECBINFHSA-N	0	0	196.269	3.069	10	0		AGAERN
CCC[C@@H](C)CCC(=O)CC	14592506	167029275	/nfs/dbraw/zinc/02/92/75/167029275.db2.gz	PULXPCACRCTXMF-SECBINFHSA-N	0	0	156.269	3.182	10	0		AGAERN
CCC[C@@H](C)COc1cccc(N)c1	51296985	167029400	/nfs/dbraw/zinc/02/94/00/167029400.db2.gz	QYJLNCBRYRCANN-SNVBAGLBSA-N	0	0	193.290	3.084	10	0		AGAERN
CCC[C@@H](C)CNc1cccc(O)c1	20194195	167029432	/nfs/dbraw/zinc/02/94/32/167029432.db2.gz	ZTKRPTALVKDAKC-SNVBAGLBSA-N	0	0	193.290	3.240	10	0		AGAERN
CCC[C@@H](C)CC[C@H](O)C(C)C	15120230	167029613	/nfs/dbraw/zinc/02/96/13/167029613.db2.gz	CUQWYGAQQPHRNJ-MNOVXSKESA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@@H](C)CC(OCC)OCC	43503174	167029649	/nfs/dbraw/zinc/02/96/49/167029649.db2.gz	QTGFKSXJRWWHFX-SNVBAGLBSA-N	0	0	188.311	3.212	10	0		AGAERN
CCC[C@@H](C)CNc1ccc(O)cc1	37131659	167029712	/nfs/dbraw/zinc/02/97/12/167029712.db2.gz	JAOFSTDFFHNODV-SNVBAGLBSA-N	0	0	193.290	3.240	10	0		AGAERN
CCC[C@@H](C)COc1cccc(O)c1	51321678	167029899	/nfs/dbraw/zinc/02/98/99/167029899.db2.gz	AJDFIKOHKDHLMU-SNVBAGLBSA-N	0	0	194.274	3.207	10	0		AGAERN
CCC[C@@H](C)CC[C@@H](O)C(C)C	15120228	167030286	/nfs/dbraw/zinc/03/02/86/167030286.db2.gz	CUQWYGAQQPHRNJ-GHMZBOCLSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@@H](C)CC[C@H](O)CCC	14591078	167030413	/nfs/dbraw/zinc/03/04/13/167030413.db2.gz	LIPRQVNGCZAXPI-GHMZBOCLSA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@@H](C)C(=O)c1ccc(CC)o1	51726336	167030782	/nfs/dbraw/zinc/03/07/82/167030782.db2.gz	CYUKQUHUUYTAOG-SECBINFHSA-N	0	0	194.274	3.461	10	0		AGAERN
CCC[C@@H](C)CCC(=O)C(C)C	51321809	167030903	/nfs/dbraw/zinc/03/09/03/167030903.db2.gz	DWPDNXSBNWDUGV-SNVBAGLBSA-N	0	0	170.296	3.428	10	0		AGAERN
CCC[C@@H](C)C[C@H](O)c1ccco1	34534234	167031238	/nfs/dbraw/zinc/03/12/38/167031238.db2.gz	WLMZGHYJRDONTN-ZJUUUORDSA-N	0	0	182.263	3.139	10	0		AGAERN
CCC[C@@H](C)C[C@@H](O)c1ccco1	34534236	167031739	/nfs/dbraw/zinc/03/17/39/167031739.db2.gz	WLMZGHYJRDONTN-NXEZZACHSA-N	0	0	182.263	3.139	10	0		AGAERN
CCC[C@@H](C)C[C@@H](CC)C(C)=O	51321818	167032146	/nfs/dbraw/zinc/03/21/46/167032146.db2.gz	BYEKPJLJRXABSQ-MWLCHTKSSA-N	0	0	170.296	3.428	10	0		AGAERN
CCC[C@@H](C)COc1ccccc1O	51321675	167032174	/nfs/dbraw/zinc/03/21/74/167032174.db2.gz	KGVNCORXENWAOL-SNVBAGLBSA-N	0	0	194.274	3.207	10	0		AGAERN
CCC[C@@H](C)C[C@@H](C)C(=O)CC	15120236	167032194	/nfs/dbraw/zinc/03/21/94/167032194.db2.gz	LNGOJECIOVYRJC-NXEZZACHSA-N	0	0	170.296	3.428	10	0		AGAERN
CCC[C@@H](C)C[C@H](CC)C(C)=O	51321823	167032726	/nfs/dbraw/zinc/03/27/26/167032726.db2.gz	BYEKPJLJRXABSQ-KOLCDFICSA-N	0	0	170.296	3.428	10	0		AGAERN
CCC[C@@H](C)C[C@H](C)C(=O)CC	15120238	167033824	/nfs/dbraw/zinc/03/38/24/167033824.db2.gz	LNGOJECIOVYRJC-ZJUUUORDSA-N	0	0	170.296	3.428	10	0		AGAERN
CCC[C@@H](C)SC(C)C	32212906	167034451	/nfs/dbraw/zinc/03/44/51/167034451.db2.gz	APHKGNPXLMOVGS-MRVPVSSYSA-N	0	0	146.299	3.317	10	0		AGAERN
CCC[C@@H](C)Nc1cc(F)ccc1N	52119116	167034575	/nfs/dbraw/zinc/03/45/75/167034575.db2.gz	UBBWDDILERFUJF-MRVPVSSYSA-N	0	0	196.269	3.008	10	0		AGAERN
CCC[C@@H](C)Nc1cccnc1Cl	36982810	167034690	/nfs/dbraw/zinc/03/46/90/167034690.db2.gz	QDNVUAPIWPMXNQ-MRVPVSSYSA-N	0	0	198.697	3.336	10	0		AGAERN
CCC[C@@H](C)Nc1ccc(C)cc1N	37401233	167035268	/nfs/dbraw/zinc/03/52/68/167035268.db2.gz	SPOPQFSNYOTYMV-SNVBAGLBSA-N	0	0	192.306	3.178	10	0		AGAERN
CCC[C@@H](C)Nc1nc(C)cs1	21790881	167035925	/nfs/dbraw/zinc/03/59/25/167035925.db2.gz	CEDSVHKOBHCJQP-SSDOTTSWSA-N	0	0	184.308	3.052	10	0		AGAERN
CCC[C@@H](C)Nc1ccc(N)cc1C	36950109	167035952	/nfs/dbraw/zinc/03/59/52/167035952.db2.gz	IORCWUUICVZQJR-SNVBAGLBSA-N	0	0	192.306	3.178	10	0		AGAERN
CCC[C@@H](C)Nc1cc(N)cc(F)c1	37666682	167036033	/nfs/dbraw/zinc/03/60/33/167036033.db2.gz	MCWSSPKUAJSMKP-MRVPVSSYSA-N	0	0	196.269	3.008	10	0		AGAERN
CCC[C@@H](C)Nc1ccc(N)cc1F	20474842	167036355	/nfs/dbraw/zinc/03/63/55/167036355.db2.gz	ZVNBMSCYOZWUKO-MRVPVSSYSA-N	0	0	196.269	3.008	10	0		AGAERN
CCC[C@@H](C)Nc1cccc(F)c1N	37419174	167037020	/nfs/dbraw/zinc/03/70/20/167037020.db2.gz	CRXOCKFONUMIGH-MRVPVSSYSA-N	0	0	196.269	3.008	10	0		AGAERN
CCC[C@@H](C)Nc1ccc(F)cc1N	20382144	167037087	/nfs/dbraw/zinc/03/70/87/167037087.db2.gz	NDMCYDBDSOKQPX-MRVPVSSYSA-N	0	0	196.269	3.008	10	0		AGAERN
CCC[C@@H](C)c1nc2ccccc2[nH]1	37387792	167037792	/nfs/dbraw/zinc/03/77/92/167037792.db2.gz	FOTFIDVNCPGUAP-SECBINFHSA-N	0	0	188.274	3.467	10	0		AGAERN
CCC[C@@H](C)[C@H](O)C1=CCCCC1	50328814	167039061	/nfs/dbraw/zinc/03/90/61/167039061.db2.gz	KCGMGXGCSNDTKL-PWSUYJOCSA-N	0	0	182.307	3.284	10	0		AGAERN
CCC[C@@H](C)c1ccc(N)cc1	5139194	167039288	/nfs/dbraw/zinc/03/92/88/167039288.db2.gz	AKSSDFIINGVZJQ-SECBINFHSA-N	0	0	163.264	3.172	10	0		AGAERN
CCC[C@@H](CC)C(OCC)OCC	43503061	167039325	/nfs/dbraw/zinc/03/93/25/167039325.db2.gz	MGWJIJWERTXKEU-SNVBAGLBSA-N	0	0	188.311	3.212	10	0		AGAERN
CCC[C@@H](C)[C@@H](O)C1=CCCCC1	50328816	167039434	/nfs/dbraw/zinc/03/94/34/167039434.db2.gz	KCGMGXGCSNDTKL-ZYHUDNBSSA-N	0	0	182.307	3.284	10	0		AGAERN
CCC[C@@H](C)n1c(C)cc(C=O)c1C	19806626	167039738	/nfs/dbraw/zinc/03/97/38/167039738.db2.gz	VZHJPKVWMMUCQS-SECBINFHSA-N	0	0	193.290	3.279	10	0		AGAERN
CCC[C@@H](C)c1nc(CC)sc1N	50308271	167039907	/nfs/dbraw/zinc/03/99/07/167039907.db2.gz	NEYAUDJVWJPHAQ-SSDOTTSWSA-N	0	0	198.335	3.191	10	0		AGAERN
CCC[C@@H](C)n1c(C)ccc1C	35120241	167040069	/nfs/dbraw/zinc/04/00/69/167040069.db2.gz	YPMXTGHYKGUNAL-SECBINFHSA-N	0	0	165.280	3.466	10	0		AGAERN
CCC[C@@H](CC)n1cc[nH]c1=S	50406082	167040919	/nfs/dbraw/zinc/04/09/19/167040919.db2.gz	UTTZMTPQTPXSDL-MRVPVSSYSA-N	0	0	184.308	3.297	10	0		AGAERN
CCC[C@@H](CC)Nc1ccc(C)cn1	50405894	167041499	/nfs/dbraw/zinc/04/14/99/167041499.db2.gz	MOCUWPFSZRNWLG-LLVKDONJSA-N	0	0	192.306	3.381	10	0		AGAERN
CCC[C@@H](CC)Nc1cccc(N)c1	50399463	167041524	/nfs/dbraw/zinc/04/15/24/167041524.db2.gz	UJAIHYVHHQEOAZ-LLVKDONJSA-N	0	0	192.306	3.259	10	0		AGAERN
CCC[C@@H](CC)Nc1nc(C)cs1	50405884	167041618	/nfs/dbraw/zinc/04/16/18/167041618.db2.gz	IFBUKGAWIVVOTM-SECBINFHSA-N	0	0	198.335	3.442	10	0		AGAERN
CCC[C@@H](CC)n1cccc1C=O	50407697	167042124	/nfs/dbraw/zinc/04/21/24/167042124.db2.gz	QALIHEPXKGFVOT-SNVBAGLBSA-N	0	0	179.263	3.052	10	0		AGAERN
CCC[C@@H](CC)n1c(C)n[nH]c1=S	50406196	167042420	/nfs/dbraw/zinc/04/24/20/167042420.db2.gz	XAEJXSRKTZYSSK-MRVPVSSYSA-N	0	0	199.323	3.000	10	0		AGAERN
CCC[C@@H](CC)Nc1ncccc1C	51041209	167042546	/nfs/dbraw/zinc/04/25/46/167042546.db2.gz	YHZCQENJGQICRT-LLVKDONJSA-N	0	0	192.306	3.381	10	0		AGAERN
CCC[C@@H](CC)n1cccc1	50407723	167042858	/nfs/dbraw/zinc/04/28/58/167042858.db2.gz	OEKCDEJEGLCVOG-SNVBAGLBSA-N	0	0	151.253	3.239	10	0		AGAERN
CCC[C@@H](CO)c1ccccc1Cl	39209845	167043410	/nfs/dbraw/zinc/04/34/10/167043410.db2.gz	BFPUQFWPPVGLSZ-VIFPVBQESA-N	0	0	198.693	3.216	10	0		AGAERN
CCC[C@@H](O)CCCC(C)(C)C	43657485	167049843	/nfs/dbraw/zinc/04/98/43/167049843.db2.gz	VQBNABRLZJTSQA-SNVBAGLBSA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@@H](O)CCc1ccccc1C	43657395	167049954	/nfs/dbraw/zinc/04/99/54/167049954.db2.gz	JMZAARKNYIXUAV-CYBMUJFWSA-N	0	0	192.302	3.089	10	0		AGAERN
CCC[C@@H](O)CCC1CCCC1	43657442	167050142	/nfs/dbraw/zinc/05/01/42/167050142.db2.gz	AGJDIQRPBVNLQR-LLVKDONJSA-N	0	0	170.296	3.118	10	0		AGAERN
CCC[C@@H](O)c1c(C)cc(C)cc1C	34402095	167050234	/nfs/dbraw/zinc/05/02/34/167050234.db2.gz	HCAXPDHTXHXBFI-GFCCVEGCSA-N	0	0	192.302	3.445	10	0		AGAERN
CCC[C@@H](O)c1ccc2c(c1)CCC2	36156613	167050565	/nfs/dbraw/zinc/05/05/65/167050565.db2.gz	MUBYEEBGSSUSSE-CYBMUJFWSA-N	0	0	190.286	3.009	10	0		AGAERN
CCC[C@@H](O)c1cc(C)sc1C	41043146	167050740	/nfs/dbraw/zinc/05/07/40/167050740.db2.gz	MYFKZOMFODIOMU-SNVBAGLBSA-N	0	0	184.304	3.198	10	0		AGAERN
CCC[C@@H](O)Cc1ccc(C)c(C)c1	49669352	167050905	/nfs/dbraw/zinc/05/09/05/167050905.db2.gz	LEPMJDZRDUTPBA-CYBMUJFWSA-N	0	0	192.302	3.007	10	0		AGAERN
CCC[C@@H](O)CCc1ccc(C)cc1	43657389	167051009	/nfs/dbraw/zinc/05/10/09/167051009.db2.gz	IVDSLFADVVGEMA-CYBMUJFWSA-N	0	0	192.302	3.089	10	0		AGAERN
CCC[C@@H](O)CCc1cccc(C)c1	43657393	167051634	/nfs/dbraw/zinc/05/16/34/167051634.db2.gz	BYAIHHMCCUIJLP-CYBMUJFWSA-N	0	0	192.302	3.089	10	0		AGAERN
CCC[C@@H]1CC(=O)c2cc(F)ccc21	41205852	167052265	/nfs/dbraw/zinc/05/22/65/167052265.db2.gz	OKGQXTQKNMPHGI-MRVPVSSYSA-N	0	0	192.233	3.296	10	0		AGAERN
CCC[C@@H]1CCCC[C@@H]1C(C)=O	39072378	167052508	/nfs/dbraw/zinc/05/25/08/167052508.db2.gz	FDJCYOIPBGFTRZ-GHMZBOCLSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@@H]1CCC(=O)[C@H](CC)C1	43653814	167052679	/nfs/dbraw/zinc/05/26/79/167052679.db2.gz	FCKMSWKPVNLYIO-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@@H]1CNc2cc(C)ccc2C1	11633355	167052690	/nfs/dbraw/zinc/05/26/90/167052690.db2.gz	HUHZRTYAUNCWNA-NSHDSACASA-N	0	0	189.302	3.379	10	0		AGAERN
CCC[C@@H]1CC(=O)c2ccccc21	41198880	167052722	/nfs/dbraw/zinc/05/27/22/167052722.db2.gz	CAGDYOWYVFCCPF-SECBINFHSA-N	0	0	174.243	3.157	10	0		AGAERN
CCC[C@@H]1CCc2ccccc2[C@H]1O	43659548	167052747	/nfs/dbraw/zinc/05/27/47/167052747.db2.gz	SIEVKFAXEZECCU-YPMHNXCESA-N	0	0	190.286	3.083	10	0		AGAERN
CCC[C@@H]1CC=Cc2cccn21	39081506	167052768	/nfs/dbraw/zinc/05/27/68/167052768.db2.gz	USSKJWJFZQNXGO-SNVBAGLBSA-N	0	0	161.248	3.246	10	0		AGAERN
CCC[C@@H]1CNc2c(F)cccc2C1	11987712	167052799	/nfs/dbraw/zinc/05/27/99/167052799.db2.gz	QBRQTPLFDPDLQB-VIFPVBQESA-N	0	0	193.265	3.210	10	0		AGAERN
CCC[C@@H]1CNc2ccc(F)cc2C1	11987720	167052834	/nfs/dbraw/zinc/05/28/34/167052834.db2.gz	AHKDEKHWUVEERO-VIFPVBQESA-N	0	0	193.265	3.210	10	0		AGAERN
CCC[C@@H]1CNc2cc(F)ccc2C1	11987716	167052863	/nfs/dbraw/zinc/05/28/63/167052863.db2.gz	DURSHNRYMOXOFI-VIFPVBQESA-N	0	0	193.265	3.210	10	0		AGAERN
CCC[C@@H]1CNc2ccccc2C1	11633351	167052924	/nfs/dbraw/zinc/05/29/24/167052924.db2.gz	MQJWONSPINIRBO-JTQLQIEISA-N	0	0	175.275	3.071	10	0		AGAERN
CCC[C@@H]1CNc2ccc(C)cc2C1	11633357	167052959	/nfs/dbraw/zinc/05/29/59/167052959.db2.gz	ZNPYSLANAWCKFF-NSHDSACASA-N	0	0	189.302	3.379	10	0		AGAERN
CCC[C@@H]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1	34380939	167052969	/nfs/dbraw/zinc/05/29/69/167052969.db2.gz	LISUNGMRJGDNLB-FDYHWXHSSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC[C@@H]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1	102220684	167053017	/nfs/dbraw/zinc/05/30/17/167053017.db2.gz	LISUNGMRJGDNLB-LPWJVIDDSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC[C@@H]1CCc2ccccc2[C@@H]1O	43659545	167053564	/nfs/dbraw/zinc/05/35/64/167053564.db2.gz	SIEVKFAXEZECCU-DGCLKSJQSA-N	0	0	190.286	3.083	10	0		AGAERN
CCC[C@@H]1CNc2c(C)cccc2C1	11633353	167053656	/nfs/dbraw/zinc/05/36/56/167053656.db2.gz	GTMKCOSUBPIXCY-NSHDSACASA-N	0	0	189.302	3.379	10	0		AGAERN
CCC[C@@H]1CCC(=O)[C@@H](CC)C1	43653818	167054027	/nfs/dbraw/zinc/05/40/27/167054027.db2.gz	FCKMSWKPVNLYIO-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@@H]1CCCC[C@H]1C(C)=O	39072380	167054367	/nfs/dbraw/zinc/05/43/67/167054367.db2.gz	FDJCYOIPBGFTRZ-MNOVXSKESA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@@H]1CC(=O)c2cc(C)ccc21	41204246	167054422	/nfs/dbraw/zinc/05/44/22/167054422.db2.gz	OJPXCQJBKWPVPF-SNVBAGLBSA-N	0	0	188.270	3.465	10	0		AGAERN
CCC[C@@H]1C[C@@H](C)[C@@H]1CC	140831354	167055043	/nfs/dbraw/zinc/05/50/43/167055043.db2.gz	QJFJWTOGBPHLDH-BBBLOLIVSA-N	0	0	140.270	3.469	10	0		AGAERN
CCC[C@@H]1C[C@H](CC)CCC1=O	43653556	167055179	/nfs/dbraw/zinc/05/51/79/167055179.db2.gz	GQSSGJHMULHRAV-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@@H]1Nc2ccccc2S1	39118905	167055183	/nfs/dbraw/zinc/05/51/83/167055183.db2.gz	JQVZHGPZKDMDKR-SNVBAGLBSA-N	0	0	179.288	3.330	10	0		AGAERN
CCC[C@@H]1C[C@@H](CC)CCC1=O	43653560	167055236	/nfs/dbraw/zinc/05/52/36/167055236.db2.gz	GQSSGJHMULHRAV-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@@H]1C[C@H](C)[C@@H]1CC	140830977	167056701	/nfs/dbraw/zinc/05/67/01/167056701.db2.gz	QJFJWTOGBPHLDH-AEJSXWLSSA-N	0	0	140.270	3.469	10	0		AGAERN
CCC[C@@H]1C[C@@H](C)[C@H]1CC	255996895	167056717	/nfs/dbraw/zinc/05/67/17/167056717.db2.gz	QJFJWTOGBPHLDH-OPRDCNLKSA-N	0	0	140.270	3.469	10	0		AGAERN
CCC[C@@H]1C[C@H](C)[C@H]1CC	255996894	167057068	/nfs/dbraw/zinc/05/70/68/167057068.db2.gz	QJFJWTOGBPHLDH-IVZWLZJFSA-N	0	0	140.270	3.469	10	0		AGAERN
CCC[C@@](C)(O)c1ccccc1Cl	37379764	167057889	/nfs/dbraw/zinc/05/78/89/167057889.db2.gz	AFKBTOPSAJTLQI-LLVKDONJSA-N	0	0	198.693	3.348	10	0		AGAERN
CCC[C@@]1(O)CCCc2ccccc21	37376130	167061207	/nfs/dbraw/zinc/06/12/07/167061207.db2.gz	KXWFNDUKUSBCDR-CYBMUJFWSA-N	0	0	190.286	3.011	10	0		AGAERN
CCC[C@@]1(O)C[C@H](C)CC(C)(C)C1	37375557	167061800	/nfs/dbraw/zinc/06/18/00/167061800.db2.gz	VENLAHLTWDSVRT-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@@]1(O)C[C@@H](C)CC(C)(C)C1	37375561	167062975	/nfs/dbraw/zinc/06/29/75/167062975.db2.gz	VENLAHLTWDSVRT-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@H](C)CC[C@@H](O)CCC	14591077	167063215	/nfs/dbraw/zinc/06/32/15/167063215.db2.gz	LIPRQVNGCZAXPI-QWRGUYRKSA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@H](C)CC[C@H](O)C(C)C	15120231	167063780	/nfs/dbraw/zinc/06/37/80/167063780.db2.gz	CUQWYGAQQPHRNJ-QWRGUYRKSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@H](C)C(=O)c1ccc(CC)o1	51726338	167063818	/nfs/dbraw/zinc/06/38/18/167063818.db2.gz	CYUKQUHUUYTAOG-VIFPVBQESA-N	0	0	194.274	3.461	10	0		AGAERN
CCC[C@H](C)CC[C@H](O)CCC	14591079	167063908	/nfs/dbraw/zinc/06/39/08/167063908.db2.gz	LIPRQVNGCZAXPI-WDEREUQCSA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@H](C)CC[C@@H](O)C(C)C	15120229	167064253	/nfs/dbraw/zinc/06/42/53/167064253.db2.gz	CUQWYGAQQPHRNJ-WDEREUQCSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@H](C)CCC(=O)CC	14592507	167064873	/nfs/dbraw/zinc/06/48/73/167064873.db2.gz	PULXPCACRCTXMF-VIFPVBQESA-N	0	0	156.269	3.182	10	0		AGAERN
CCC[C@H](C)CC(OCC)OCC	43503176	167065057	/nfs/dbraw/zinc/06/50/57/167065057.db2.gz	QTGFKSXJRWWHFX-JTQLQIEISA-N	0	0	188.311	3.212	10	0		AGAERN
CCC[C@H](C)C(=O)c1ccc(C)o1	34069344	167065289	/nfs/dbraw/zinc/06/52/89/167065289.db2.gz	OSQYIEASSJQUGU-QMMMGPOBSA-N	0	0	180.247	3.207	10	0		AGAERN
CCC[C@H](C)CCC(=O)C(C)C	51321811	167065659	/nfs/dbraw/zinc/06/56/59/167065659.db2.gz	DWPDNXSBNWDUGV-JTQLQIEISA-N	0	0	170.296	3.428	10	0		AGAERN
CCC[C@H](C)COc1cccc(N)c1	51296987	167066020	/nfs/dbraw/zinc/06/60/20/167066020.db2.gz	QYJLNCBRYRCANN-JTQLQIEISA-N	0	0	193.290	3.084	10	0		AGAERN
CCC[C@H](C)CNc1cccc(F)n1	83342567	167066092	/nfs/dbraw/zinc/06/60/92/167066092.db2.gz	FMQJCVCRGZGRDB-VIFPVBQESA-N	0	0	196.269	3.069	10	0		AGAERN
CCC[C@H](C)C[C@@H](CC)C(C)=O	51321821	167066163	/nfs/dbraw/zinc/06/61/63/167066163.db2.gz	BYEKPJLJRXABSQ-GXSJLCMTSA-N	0	0	170.296	3.428	10	0		AGAERN
CCC[C@H](C)COc1ccccc1O	51321676	167066174	/nfs/dbraw/zinc/06/61/74/167066174.db2.gz	KGVNCORXENWAOL-JTQLQIEISA-N	0	0	194.274	3.207	10	0		AGAERN
CCC[C@H](C)C[C@@H](C)C(=O)CC	15120237	167066184	/nfs/dbraw/zinc/06/61/84/167066184.db2.gz	LNGOJECIOVYRJC-VHSXEESVSA-N	0	0	170.296	3.428	10	0		AGAERN
CCC[C@H](C)COc1ccc(O)cc1	51321673	167066786	/nfs/dbraw/zinc/06/67/86/167066786.db2.gz	NACLDCPKTLYEAZ-JTQLQIEISA-N	0	0	194.274	3.207	10	0		AGAERN
CCC[C@H](C)C[C@H](C)C(=O)CC	15120239	167066899	/nfs/dbraw/zinc/06/68/99/167066899.db2.gz	LNGOJECIOVYRJC-UWVGGRQHSA-N	0	0	170.296	3.428	10	0		AGAERN
CCC[C@H](C)C[C@H](O)c1ccco1	34534235	167066937	/nfs/dbraw/zinc/06/69/37/167066937.db2.gz	WLMZGHYJRDONTN-UWVGGRQHSA-N	0	0	182.263	3.139	10	0		AGAERN
CCC[C@H](C)CNc1cccc(O)c1	20194198	167067336	/nfs/dbraw/zinc/06/73/36/167067336.db2.gz	ZTKRPTALVKDAKC-JTQLQIEISA-N	0	0	193.290	3.240	10	0		AGAERN
CCC[C@H](C)C[C@@H](O)c1ccco1	34534237	167067493	/nfs/dbraw/zinc/06/74/93/167067493.db2.gz	WLMZGHYJRDONTN-VHSXEESVSA-N	0	0	182.263	3.139	10	0		AGAERN
CCC[C@H](C)C[C@H](C)C[C@H](C)CO	137293593	167068106	/nfs/dbraw/zinc/06/81/06/167068106.db2.gz	KBNJXYZUBZXXHR-SRVKXCTJSA-N	0	0	186.339	3.467	10	0		AGAERN
CCC[C@H](C)CNc1ccc(O)cc1	37131660	167068452	/nfs/dbraw/zinc/06/84/52/167068452.db2.gz	JAOFSTDFFHNODV-JTQLQIEISA-N	0	0	193.290	3.240	10	0		AGAERN
CCC[C@H](C)C[C@H](CC)C(C)=O	51321825	167068853	/nfs/dbraw/zinc/06/88/53/167068853.db2.gz	BYEKPJLJRXABSQ-ONGXEEELSA-N	0	0	170.296	3.428	10	0		AGAERN
CCC[C@H](C)COc1cccc(O)c1	51321679	167068890	/nfs/dbraw/zinc/06/88/90/167068890.db2.gz	AJDFIKOHKDHLMU-JTQLQIEISA-N	0	0	194.274	3.207	10	0		AGAERN
CCC[C@H](C)Nc1ccc(N)cc1F	20474843	167069413	/nfs/dbraw/zinc/06/94/13/167069413.db2.gz	ZVNBMSCYOZWUKO-QMMMGPOBSA-N	0	0	196.269	3.008	10	0		AGAERN
CCC[C@H](C)Nc1ccc(C)cc1N	37401235	167069705	/nfs/dbraw/zinc/06/97/05/167069705.db2.gz	SPOPQFSNYOTYMV-JTQLQIEISA-N	0	0	192.306	3.178	10	0		AGAERN
CCC[C@H](C)Nc1cccc(F)c1N	37419176	167069765	/nfs/dbraw/zinc/06/97/65/167069765.db2.gz	CRXOCKFONUMIGH-QMMMGPOBSA-N	0	0	196.269	3.008	10	0		AGAERN
CCC[C@H](C)Nc1cc(N)cc(F)c1	37666683	167070462	/nfs/dbraw/zinc/07/04/62/167070462.db2.gz	MCWSSPKUAJSMKP-QMMMGPOBSA-N	0	0	196.269	3.008	10	0		AGAERN
CCC[C@H](C)Nc1cc(F)ccc1N	52119118	167070518	/nfs/dbraw/zinc/07/05/18/167070518.db2.gz	UBBWDDILERFUJF-QMMMGPOBSA-N	0	0	196.269	3.008	10	0		AGAERN
CCC[C@H](C)Nc1ccc(F)cc1N	20382148	167070672	/nfs/dbraw/zinc/07/06/72/167070672.db2.gz	NDMCYDBDSOKQPX-QMMMGPOBSA-N	0	0	196.269	3.008	10	0		AGAERN
CCC[C@H](C)Nc1ccc(N)cc1C	36950110	167071660	/nfs/dbraw/zinc/07/16/60/167071660.db2.gz	IORCWUUICVZQJR-JTQLQIEISA-N	0	0	192.306	3.178	10	0		AGAERN
CCC[C@H](C)Nc1cccnc1Cl	36982811	167071938	/nfs/dbraw/zinc/07/19/38/167071938.db2.gz	QDNVUAPIWPMXNQ-QMMMGPOBSA-N	0	0	198.697	3.336	10	0		AGAERN
CCC[C@H](C)[C@@H](O)C1=CCCCC1	50328817	167072493	/nfs/dbraw/zinc/07/24/93/167072493.db2.gz	KCGMGXGCSNDTKL-CMPLNLGQSA-N	0	0	182.307	3.284	10	0		AGAERN
CCC[C@H](C)c1nc2ccccc2[nH]1	37387793	167072734	/nfs/dbraw/zinc/07/27/34/167072734.db2.gz	FOTFIDVNCPGUAP-VIFPVBQESA-N	0	0	188.274	3.467	10	0		AGAERN
CCC[C@H](C)n1c(C)cc(C=O)c1C	19806627	167072770	/nfs/dbraw/zinc/07/27/70/167072770.db2.gz	VZHJPKVWMMUCQS-VIFPVBQESA-N	0	0	193.290	3.279	10	0		AGAERN
CCC[C@H](C)SC(C)C	32212909	167073120	/nfs/dbraw/zinc/07/31/20/167073120.db2.gz	APHKGNPXLMOVGS-QMMMGPOBSA-N	0	0	146.299	3.317	10	0		AGAERN
CCC[C@H](C)c1nc(CC)sc1N	50308272	167073395	/nfs/dbraw/zinc/07/33/95/167073395.db2.gz	NEYAUDJVWJPHAQ-ZETCQYMHSA-N	0	0	198.335	3.191	10	0		AGAERN
CCC[C@H](C)[C@H](O)C1=CCCCC1	50328815	167073543	/nfs/dbraw/zinc/07/35/43/167073543.db2.gz	KCGMGXGCSNDTKL-JQWIXIFHSA-N	0	0	182.307	3.284	10	0		AGAERN
CCC[C@H](C)Nc1nc(C)cs1	21790885	167073577	/nfs/dbraw/zinc/07/35/77/167073577.db2.gz	CEDSVHKOBHCJQP-ZETCQYMHSA-N	0	0	184.308	3.052	10	0		AGAERN
CCC[C@H](C)n1c(C)ccc1C	35120243	167073754	/nfs/dbraw/zinc/07/37/54/167073754.db2.gz	YPMXTGHYKGUNAL-VIFPVBQESA-N	0	0	165.280	3.466	10	0		AGAERN
CCC[C@H](C)c1ccc(N)cc1	5139207	167074081	/nfs/dbraw/zinc/07/40/81/167074081.db2.gz	AKSSDFIINGVZJQ-VIFPVBQESA-N	0	0	163.264	3.172	10	0		AGAERN
CCC[C@H](CC)n1cccc1C=O	50407699	167075178	/nfs/dbraw/zinc/07/51/78/167075178.db2.gz	QALIHEPXKGFVOT-JTQLQIEISA-N	0	0	179.263	3.052	10	0		AGAERN
CCC[C@H](CC)Nc1ncccc1C	51041210	167075314	/nfs/dbraw/zinc/07/53/14/167075314.db2.gz	YHZCQENJGQICRT-NSHDSACASA-N	0	0	192.306	3.381	10	0		AGAERN
CCC[C@H](CC)n1cccc1	50407724	167075921	/nfs/dbraw/zinc/07/59/21/167075921.db2.gz	OEKCDEJEGLCVOG-JTQLQIEISA-N	0	0	151.253	3.239	10	0		AGAERN
CCC[C@H](CC)Nc1ccc(C)cn1	50405896	167075958	/nfs/dbraw/zinc/07/59/58/167075958.db2.gz	MOCUWPFSZRNWLG-NSHDSACASA-N	0	0	192.306	3.381	10	0		AGAERN
CCC[C@H](CC)n1c(C)n[nH]c1=S	50406198	167076058	/nfs/dbraw/zinc/07/60/58/167076058.db2.gz	XAEJXSRKTZYSSK-QMMMGPOBSA-N	0	0	199.323	3.000	10	0		AGAERN
CCC[C@H](CC)n1cc[nH]c1=S	50406084	167076688	/nfs/dbraw/zinc/07/66/88/167076688.db2.gz	UTTZMTPQTPXSDL-QMMMGPOBSA-N	0	0	184.308	3.297	10	0		AGAERN
CCC[C@H](CC)Nc1nc(C)cs1	50405886	167076788	/nfs/dbraw/zinc/07/67/88/167076788.db2.gz	IFBUKGAWIVVOTM-VIFPVBQESA-N	0	0	198.335	3.442	10	0		AGAERN
CCC[C@H](CC)C(OCC)OCC	43503063	167076939	/nfs/dbraw/zinc/07/69/39/167076939.db2.gz	MGWJIJWERTXKEU-JTQLQIEISA-N	0	0	188.311	3.212	10	0		AGAERN
CCC[C@H](CC)Nc1cccc(N)c1	50399466	167077054	/nfs/dbraw/zinc/07/70/54/167077054.db2.gz	UJAIHYVHHQEOAZ-NSHDSACASA-N	0	0	192.306	3.259	10	0		AGAERN
CCC[C@H](CO)c1ccccc1Cl	39209846	167079739	/nfs/dbraw/zinc/07/97/39/167079739.db2.gz	BFPUQFWPPVGLSZ-SECBINFHSA-N	0	0	198.693	3.216	10	0		AGAERN
CCC[C@H](O)CC[C@H](C)CCC	14591076	167084501	/nfs/dbraw/zinc/08/45/01/167084501.db2.gz	LIPRQVNGCZAXPI-MNOVXSKESA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@H](O)CCC1CCCC1	43657440	167084637	/nfs/dbraw/zinc/08/46/37/167084637.db2.gz	AGJDIQRPBVNLQR-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
CCC[C@H](O)Cc1ccc(C)c(C)c1	49669351	167084770	/nfs/dbraw/zinc/08/47/70/167084770.db2.gz	LEPMJDZRDUTPBA-ZDUSSCGKSA-N	0	0	192.302	3.007	10	0		AGAERN
CCC[C@H](O)c1c(C)cc(C)cc1C	34402094	167085386	/nfs/dbraw/zinc/08/53/86/167085386.db2.gz	HCAXPDHTXHXBFI-LBPRGKRZSA-N	0	0	192.302	3.445	10	0		AGAERN
CCC[C@H](O)CCc1cccc(C)c1	43657392	167085539	/nfs/dbraw/zinc/08/55/39/167085539.db2.gz	BYAIHHMCCUIJLP-ZDUSSCGKSA-N	0	0	192.302	3.089	10	0		AGAERN
CCC[C@H](O)CCc1ccc(C)cc1	43657388	167086174	/nfs/dbraw/zinc/08/61/74/167086174.db2.gz	IVDSLFADVVGEMA-ZDUSSCGKSA-N	0	0	192.302	3.089	10	0		AGAERN
CCC[C@H](O)c1cc(C)sc1C	41043145	167086341	/nfs/dbraw/zinc/08/63/41/167086341.db2.gz	MYFKZOMFODIOMU-JTQLQIEISA-N	0	0	184.304	3.198	10	0		AGAERN
CCC[C@H](O)CCc1ccccc1C	43657394	167086367	/nfs/dbraw/zinc/08/63/67/167086367.db2.gz	JMZAARKNYIXUAV-ZDUSSCGKSA-N	0	0	192.302	3.089	10	0		AGAERN
CCC[C@H](O)CCCC(C)(C)C	43657484	167086717	/nfs/dbraw/zinc/08/67/17/167086717.db2.gz	VQBNABRLZJTSQA-JTQLQIEISA-N	0	0	172.312	3.364	10	0		AGAERN
CCC[C@H]1CCC(=O)[C@@H](CC)C1	43653819	167087516	/nfs/dbraw/zinc/08/75/16/167087516.db2.gz	FCKMSWKPVNLYIO-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@H]1CCC(=O)[C@H](CC)C1	43653816	167087631	/nfs/dbraw/zinc/08/76/31/167087631.db2.gz	FCKMSWKPVNLYIO-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@H]1CC[C@H]2C[C@@H](O)CC[C@@H]2C1	102220682	167087643	/nfs/dbraw/zinc/08/76/43/167087643.db2.gz	LISUNGMRJGDNLB-RNJOBUHISA-N	0	0	196.334	3.364	10	0		AGAERN
CCC[C@H]1CC[C@H]2C[C@H](O)CC[C@@H]2C1	34380942	167087677	/nfs/dbraw/zinc/08/76/77/167087677.db2.gz	LISUNGMRJGDNLB-QNWHQSFQSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC[C@H]1CC(=O)c2ccccc21	41198883	167088048	/nfs/dbraw/zinc/08/80/48/167088048.db2.gz	CAGDYOWYVFCCPF-VIFPVBQESA-N	0	0	174.243	3.157	10	0		AGAERN
CCC[C@H]1CC(=O)c2cc(C)ccc21	41204248	167088541	/nfs/dbraw/zinc/08/85/41/167088541.db2.gz	OJPXCQJBKWPVPF-JTQLQIEISA-N	0	0	188.270	3.465	10	0		AGAERN
CCC[C@H]1CCCC[C@@H]1C(C)=O	39072379	167088652	/nfs/dbraw/zinc/08/86/52/167088652.db2.gz	FDJCYOIPBGFTRZ-WDEREUQCSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@H]1CC(=O)c2cc(F)ccc21	41205853	167088864	/nfs/dbraw/zinc/08/88/64/167088864.db2.gz	OKGQXTQKNMPHGI-QMMMGPOBSA-N	0	0	192.233	3.296	10	0		AGAERN
CCC[C@H]1CCCC[C@H]1C(C)=O	39072381	167088877	/nfs/dbraw/zinc/08/88/77/167088877.db2.gz	FDJCYOIPBGFTRZ-QWRGUYRKSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@H]1CCc2ccccc2[C@@H]1O	43659546	167088899	/nfs/dbraw/zinc/08/88/99/167088899.db2.gz	SIEVKFAXEZECCU-WCQYABFASA-N	0	0	190.286	3.083	10	0		AGAERN
CCC[C@H](O)c1ccc2c(c1)CCC2	36156611	167089186	/nfs/dbraw/zinc/08/91/86/167089186.db2.gz	MUBYEEBGSSUSSE-ZDUSSCGKSA-N	0	0	190.286	3.009	10	0		AGAERN
CCC[C@H]1C[C@@H](CC)CCC1=O	43653562	167090085	/nfs/dbraw/zinc/09/00/85/167090085.db2.gz	GQSSGJHMULHRAV-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@H]1CNc2c(C)cccc2C1	11633354	167090185	/nfs/dbraw/zinc/09/01/85/167090185.db2.gz	GTMKCOSUBPIXCY-LLVKDONJSA-N	0	0	189.302	3.379	10	0		AGAERN
CCC[C@H]1CNc2ccc(F)cc2C1	11987722	167090218	/nfs/dbraw/zinc/09/02/18/167090218.db2.gz	AHKDEKHWUVEERO-SECBINFHSA-N	0	0	193.265	3.210	10	0		AGAERN
CCC[C@H]1CNc2c(F)cccc2C1	11987714	167090230	/nfs/dbraw/zinc/09/02/30/167090230.db2.gz	QBRQTPLFDPDLQB-SECBINFHSA-N	0	0	193.265	3.210	10	0		AGAERN
CCC[C@H]1CNc2ccccc2C1	11633352	167090275	/nfs/dbraw/zinc/09/02/75/167090275.db2.gz	MQJWONSPINIRBO-SNVBAGLBSA-N	0	0	175.275	3.071	10	0		AGAERN
CCC[C@H]1Nc2ccccc2S1	39118907	167090388	/nfs/dbraw/zinc/09/03/88/167090388.db2.gz	JQVZHGPZKDMDKR-JTQLQIEISA-N	0	0	179.288	3.330	10	0		AGAERN
CCC[C@H]1C[C@H](CC)CCC1=O	43653558	167090512	/nfs/dbraw/zinc/09/05/12/167090512.db2.gz	GQSSGJHMULHRAV-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC[C@H]1CNc2cc(C)ccc2C1	11633356	167090672	/nfs/dbraw/zinc/09/06/72/167090672.db2.gz	HUHZRTYAUNCWNA-LLVKDONJSA-N	0	0	189.302	3.379	10	0		AGAERN
CCC[C@H]1CNc2cc(F)ccc2C1	11987718	167090876	/nfs/dbraw/zinc/09/08/76/167090876.db2.gz	DURSHNRYMOXOFI-SECBINFHSA-N	0	0	193.265	3.210	10	0		AGAERN
CCC[C@H]1CNc2ccc(C)cc2C1	11633358	167091011	/nfs/dbraw/zinc/09/10/11/167091011.db2.gz	ZNPYSLANAWCKFF-LLVKDONJSA-N	0	0	189.302	3.379	10	0		AGAERN
CCC[C@](C)(O)c1ccccc1Cl	37379761	167093702	/nfs/dbraw/zinc/09/37/02/167093702.db2.gz	AFKBTOPSAJTLQI-NSHDSACASA-N	0	0	198.693	3.348	10	0		AGAERN
CCC[C@]1(O)C[C@@H](C)CC(C)(C)C1	37375559	167095966	/nfs/dbraw/zinc/09/59/66/167095966.db2.gz	VENLAHLTWDSVRT-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@]1(O)CCCc2ccccc21	37376127	167095979	/nfs/dbraw/zinc/09/59/79/167095979.db2.gz	KXWFNDUKUSBCDR-ZDUSSCGKSA-N	0	0	190.286	3.011	10	0		AGAERN
CCC[C@]1(O)C[C@H](C)CC(C)(C)C1	37375555	167096701	/nfs/dbraw/zinc/09/67/01/167096701.db2.gz	VENLAHLTWDSVRT-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCc1[nH]c2ccccc2c1C	21981617	167097496	/nfs/dbraw/zinc/09/74/96/167097496.db2.gz	SSCOHXIHUVUWLV-UHFFFAOYSA-N	0	0	173.259	3.429	10	0		AGAERN
CCCc1c(C=O)oc2ccccc12	77068123	167098520	/nfs/dbraw/zinc/09/85/20/167098520.db2.gz	WJILWDWHYLACJE-UHFFFAOYSA-N	0	0	188.226	3.198	10	0		AGAERN
CCCc1cc(C(C)C)c[nH]1	45808777	167098558	/nfs/dbraw/zinc/09/85/58/167098558.db2.gz	KSNZYQHAXJYJAU-UHFFFAOYSA-N	0	0	151.253	3.091	10	0		AGAERN
CCCc1cc(Cl)nc(C(C)C)n1	37409150	167098997	/nfs/dbraw/zinc/09/89/97/167098997.db2.gz	VTJUMGNRYACKFR-UHFFFAOYSA-N	0	0	198.697	3.206	10	0		AGAERN
CCCc1cc(=S)[nH]c(C(C)C)n1	45956376	167099256	/nfs/dbraw/zinc/09/92/56/167099256.db2.gz	MHIXLWLVHRWNKJ-UHFFFAOYSA-N	0	0	196.319	3.215	10	0		AGAERN
CCCc1cc(C)c2ccccc2n1	25996566	167100760	/nfs/dbraw/zinc/10/07/60/167100760.db2.gz	PBILQHLRWUAGRT-UHFFFAOYSA-N	0	0	185.270	3.496	10	0		AGAERN
CCCc1ccc([C@@H]2CCCO2)cc1	49806620	167102943	/nfs/dbraw/zinc/10/29/43/167102943.db2.gz	UGZQQDITYVZSEW-ZDUSSCGKSA-N	0	0	190.286	3.491	10	0		AGAERN
CCCc1ccc(-c2c[nH]cn2)cc1	41203560	167103002	/nfs/dbraw/zinc/10/30/02/167103002.db2.gz	CCYLTORIFHMIHW-UHFFFAOYSA-N	0	0	186.258	3.029	10	0		AGAERN
CCCc1cc2ccccc2[nH]1	967224	167103018	/nfs/dbraw/zinc/10/30/18/167103018.db2.gz	HJENUMMIFDMCEN-UHFFFAOYSA-N	0	0	159.232	3.120	10	0		AGAERN
CCCc1ccc([C@@H](O)C(C)C)cc1	36156802	167103037	/nfs/dbraw/zinc/10/30/37/167103037.db2.gz	VYKRZQJGQMZGAS-ZDUSSCGKSA-N	0	0	192.302	3.329	10	0		AGAERN
CCCc1ccc(O)c(CCC)c1O	34638742	167103092	/nfs/dbraw/zinc/10/30/92/167103092.db2.gz	JJWMIFAPVZNHOT-UHFFFAOYSA-N	0	0	194.274	3.003	10	0		AGAERN
CCCc1ccc(CCC(C)=O)cc1	60067926	167103113	/nfs/dbraw/zinc/10/31/13/167103113.db2.gz	DVYMEUDBUDICIZ-UHFFFAOYSA-N	0	0	190.286	3.161	10	0		AGAERN
CCCc1cc2c(OC)cccc2[nH]1	39018019	167103168	/nfs/dbraw/zinc/10/31/68/167103168.db2.gz	QVYHQWFXIFJGSH-UHFFFAOYSA-N	0	0	189.258	3.129	10	0		AGAERN
CCCc1ccc(-n2cccc2)cc1	35120969	167103260	/nfs/dbraw/zinc/10/32/60/167103260.db2.gz	GKRQSIAQTYDJRB-UHFFFAOYSA-N	0	0	185.270	3.430	10	0		AGAERN
CCCc1ccc(-c2cocn2)cc1	58520638	167103466	/nfs/dbraw/zinc/10/34/66/167103466.db2.gz	RHZVRCGEONLHMW-UHFFFAOYSA-N	0	0	187.242	3.294	10	0		AGAERN
CCCc1ccc(C(F)(F)F)nc1	44397016	167103581	/nfs/dbraw/zinc/10/35/81/167103581.db2.gz	YJFORFZMCHUURP-UHFFFAOYSA-N	0	0	189.180	3.053	10	0		AGAERN
CCCc1ccc(C(=O)C2CC2)cc1	32008050	167103880	/nfs/dbraw/zinc/10/38/80/167103880.db2.gz	SXLWMGUYPFASGS-UHFFFAOYSA-N	0	0	188.270	3.232	10	0		AGAERN
CCCc1ccc([C@@H](O)C2CC2)cc1	36156621	167103998	/nfs/dbraw/zinc/10/39/98/167103998.db2.gz	YWORMNUJMCSGMO-CYBMUJFWSA-N	0	0	190.286	3.083	10	0		AGAERN
CCCc1ccc([C@H](O)C(C)C)cc1	36156800	167104182	/nfs/dbraw/zinc/10/41/82/167104182.db2.gz	VYKRZQJGQMZGAS-CYBMUJFWSA-N	0	0	192.302	3.329	10	0		AGAERN
CCCc1ccc(C(C)C)c(N)c1	32007035	167104233	/nfs/dbraw/zinc/10/42/33/167104233.db2.gz	DTZXBRFJVHBKEG-UHFFFAOYSA-N	0	0	177.291	3.345	10	0		AGAERN
CCCc1ccc([C@H](O)C2CC2)cc1	36156619	167104806	/nfs/dbraw/zinc/10/48/06/167104806.db2.gz	YWORMNUJMCSGMO-ZDUSSCGKSA-N	0	0	190.286	3.083	10	0		AGAERN
CCCc1coc2ccccc12	39136321	167105304	/nfs/dbraw/zinc/10/53/04/167105304.db2.gz	XOZKFSGNRUTBKL-UHFFFAOYSA-N	0	0	160.216	3.385	10	0		AGAERN
CCCc1ccc2ncccc2c1	32187976	167105448	/nfs/dbraw/zinc/10/54/48/167105448.db2.gz	OARITLBHWXTNOV-UHFFFAOYSA-N	0	0	171.243	3.187	10	0		AGAERN
CCCc1ccc2c(c1)[C@@H](O)C[C@H]2C	82618526	167105489	/nfs/dbraw/zinc/10/54/89/167105489.db2.gz	YEMKJJQTXIWGRM-RNCFNFMXSA-N	0	0	190.286	3.180	10	0		AGAERN
CCCc1ccccc1NCC(F)F	49556244	167105515	/nfs/dbraw/zinc/10/55/15/167105515.db2.gz	DWPNCBWCVOJICJ-UHFFFAOYSA-N	0	0	199.244	3.316	10	0		AGAERN
CCCc1cnc(CCC)s1	32180821	167105534	/nfs/dbraw/zinc/10/55/34/167105534.db2.gz	CXXDPLSFABWHEQ-UHFFFAOYSA-N	0	0	169.293	3.048	10	0	endogenous,in-man	AGAERN
CCCc1ccnc2ccccc12	32187977	167105776	/nfs/dbraw/zinc/10/57/76/167105776.db2.gz	SYPQOZMXCWJIQU-UHFFFAOYSA-N	0	0	171.243	3.187	10	0		AGAERN
CCCc1cnc(-c2ccccc2)cn1	33611418	167105872	/nfs/dbraw/zinc/10/58/72/167105872.db2.gz	LEOYBBISWJJHQM-UHFFFAOYSA-N	0	0	198.269	3.096	10	0		AGAERN
CCCc1cccc2cc[nH]c12	34354255	167105878	/nfs/dbraw/zinc/10/58/78/167105878.db2.gz	GMQANWPMNZVLDH-UHFFFAOYSA-N	0	0	159.232	3.120	10	0		AGAERN
CCCc1ccc2c(c1)[C@H](O)C[C@@H]2C	82618523	167105917	/nfs/dbraw/zinc/10/59/17/167105917.db2.gz	YEMKJJQTXIWGRM-TVQRCGJNSA-N	0	0	190.286	3.180	10	0		AGAERN
CCCc1cccc(C2(O)CCC2)c1	32143104	167105962	/nfs/dbraw/zinc/10/59/62/167105962.db2.gz	BNZDBEOGAMENLY-UHFFFAOYSA-N	0	0	190.286	3.011	10	0		AGAERN
CCCc1cccn1C(C)C	39080139	167105981	/nfs/dbraw/zinc/10/59/81/167105981.db2.gz	LXKDNINMQCSQFY-UHFFFAOYSA-N	0	0	151.253	3.022	10	0		AGAERN
CCCc1ccc2c(c1)NCCCC2	57936789	167106010	/nfs/dbraw/zinc/10/60/10/167106010.db2.gz	AMUPHYJUEIXDDK-UHFFFAOYSA-N	0	0	189.302	3.387	10	0		AGAERN
CCCc1ccnc(-c2ccccn2)c1	35822691	167106081	/nfs/dbraw/zinc/10/60/81/167106081.db2.gz	BOKUNGNYSXLIJH-UHFFFAOYSA-N	0	0	198.269	3.096	10	0		AGAERN
CCCc1ccnc(-c2ccccc2)n1	39409581	167106155	/nfs/dbraw/zinc/10/61/55/167106155.db2.gz	RBRQRYAUJLXFLD-UHFFFAOYSA-N	0	0	198.269	3.096	10	0		AGAERN
CCCc1ccc2c(c1)C(=O)C[C@@H]2C	82617872	167106703	/nfs/dbraw/zinc/10/67/03/167106703.db2.gz	XXLWDJVPTWFULT-VIFPVBQESA-N	0	0	188.270	3.329	10	0		AGAERN
CCCc1ccc2c(c1)C(=O)C[C@H]2C	82617873	167106858	/nfs/dbraw/zinc/10/68/58/167106858.db2.gz	XXLWDJVPTWFULT-SECBINFHSA-N	0	0	188.270	3.329	10	0		AGAERN
CCCc1ccc2c(c1)[C@H](O)C[C@H]2C	82618525	167107133	/nfs/dbraw/zinc/10/71/33/167107133.db2.gz	YEMKJJQTXIWGRM-NOZJJQNGSA-N	0	0	190.286	3.180	10	0		AGAERN
CCCc1ccc2c(c1)[C@@H](O)C[C@@H]2C	82618524	167107164	/nfs/dbraw/zinc/10/71/64/167107164.db2.gz	YEMKJJQTXIWGRM-ZANVPECISA-N	0	0	190.286	3.180	10	0		AGAERN
CCCc1ccc2ccccc2n1	13232672	167107344	/nfs/dbraw/zinc/10/73/44/167107344.db2.gz	IZXJPGLOYYDHRM-UHFFFAOYSA-N	0	0	171.243	3.187	10	0	biogenic,in-vitro	AGAERN
CCCc1ccc2oc(C)nc2c1	62498596	167107653	/nfs/dbraw/zinc/10/76/53/167107653.db2.gz	AKAZJOZWAKZHJF-UHFFFAOYSA-N	0	0	175.231	3.089	10	0		AGAERN
CCCc1ccc2oc(CC)nc2c1	62520597	167107758	/nfs/dbraw/zinc/10/77/58/167107758.db2.gz	SLYMGCWNNSLKAO-UHFFFAOYSA-N	0	0	189.258	3.343	10	0		AGAERN
CCCc1ccc2occc2c1	39136470	167108120	/nfs/dbraw/zinc/10/81/20/167108120.db2.gz	JFEFSRFIYOYWKA-UHFFFAOYSA-N	0	0	160.216	3.385	10	0		AGAERN
CCCc1csc(NC(C)(C)C)n1	61714631	167108174	/nfs/dbraw/zinc/10/81/74/167108174.db2.gz	RZVQAMZYBGZSEU-UHFFFAOYSA-N	0	0	198.335	3.306	10	0		AGAERN
CCCc1cnc2ccccc2c1	5139229	167108212	/nfs/dbraw/zinc/10/82/12/167108212.db2.gz	ANBUXLFLKGJLEL-UHFFFAOYSA-N	0	0	171.243	3.187	10	0		AGAERN
CCCc1ccc2[nH]c(=S)[nH]c2c1	34144148	167108233	/nfs/dbraw/zinc/10/82/33/167108233.db2.gz	QNXBUEJLOWEKRR-UHFFFAOYSA-N	0	0	192.287	3.178	10	0		AGAERN
CCCc1ccc([C@H]2CCCO2)cc1	49806621	167108309	/nfs/dbraw/zinc/10/83/09/167108309.db2.gz	UGZQQDITYVZSEW-CYBMUJFWSA-N	0	0	190.286	3.491	10	0		AGAERN
CCCc1nc(C)c(CCC)s1	16697731	167109727	/nfs/dbraw/zinc/10/97/27/167109727.db2.gz	VAEQRSTWJQPJLA-UHFFFAOYSA-N	0	0	183.320	3.357	10	0	endogenous,in-man	AGAERN
CCCc1nc([C@@H](C)CC)c(N)s1	50308369	167109984	/nfs/dbraw/zinc/10/99/84/167109984.db2.gz	IQDWCGWPVUZFBK-ZETCQYMHSA-N	0	0	198.335	3.191	10	0		AGAERN
CCCc1nc2cccc(CC)c2o1	62520627	167112024	/nfs/dbraw/zinc/11/20/24/167112024.db2.gz	VUKFWPSYYNCPMQ-UHFFFAOYSA-N	0	0	189.258	3.343	10	0		AGAERN
CCCc1nc2c(C)cc(C)cc2o1	62520616	167112246	/nfs/dbraw/zinc/11/22/46/167112246.db2.gz	NCGWAXSOMSMCQO-UHFFFAOYSA-N	0	0	189.258	3.397	10	0		AGAERN
CCCc1nc2cccc(C)c2o1	62498602	167112249	/nfs/dbraw/zinc/11/22/49/167112249.db2.gz	KRZJHYAUEQEOGP-UHFFFAOYSA-N	0	0	175.231	3.089	10	0		AGAERN
CCCc1nc2cc(C)cc(C)c2o1	62520593	167112473	/nfs/dbraw/zinc/11/24/73/167112473.db2.gz	QHCDNWZYYAPJQA-UHFFFAOYSA-N	0	0	189.258	3.397	10	0		AGAERN
CCCc1nc2cc(C)c(C)cc2o1	62520587	167112625	/nfs/dbraw/zinc/11/26/25/167112625.db2.gz	OOGBUCKPQAUGGF-UHFFFAOYSA-N	0	0	189.258	3.397	10	0		AGAERN
CCCc1nc([C@H](C)CC)c(N)s1	50308370	167112993	/nfs/dbraw/zinc/11/29/93/167112993.db2.gz	IQDWCGWPVUZFBK-SSDOTTSWSA-N	0	0	198.335	3.191	10	0		AGAERN
CCCc1nc2c(C)ccc(C)c2o1	62520608	167113011	/nfs/dbraw/zinc/11/30/11/167113011.db2.gz	FBOXJQIJPLOUBW-UHFFFAOYSA-N	0	0	189.258	3.397	10	0		AGAERN
CCCc1nc2cc(F)c(F)cc2o1	62522200	167113031	/nfs/dbraw/zinc/11/30/31/167113031.db2.gz	HCCAGEDQFOEAGA-UHFFFAOYSA-N	0	0	197.184	3.059	10	0		AGAERN
CCCc1nc2cc(CC)ccc2o1	62520568	167113214	/nfs/dbraw/zinc/11/32/14/167113214.db2.gz	HLQHCKPDCAEICC-UHFFFAOYSA-N	0	0	189.258	3.343	10	0		AGAERN
CCCc1nc2ccc(C)c(C)c2o1	62520611	167113283	/nfs/dbraw/zinc/11/32/83/167113283.db2.gz	CKJWHGYPXDDKOZ-UHFFFAOYSA-N	0	0	189.258	3.397	10	0		AGAERN
CCCc1nc2cccc(Cl)c2o1	62522092	167113354	/nfs/dbraw/zinc/11/33/54/167113354.db2.gz	BDHQIXLSSOZVSW-UHFFFAOYSA-N	0	0	195.649	3.434	10	0		AGAERN
CCCc1nc2cc(C)ccc2o1	62498592	167113420	/nfs/dbraw/zinc/11/34/20/167113420.db2.gz	IUVBOEJFBMFABP-UHFFFAOYSA-N	0	0	175.231	3.089	10	0		AGAERN
CCCc1nc2cc(F)cc(F)c2o1	62522194	167113642	/nfs/dbraw/zinc/11/36/42/167113642.db2.gz	ZNZMJPGYFPTUIR-UHFFFAOYSA-N	0	0	197.184	3.059	10	0		AGAERN
CCCc1sc(Cl)nc1C	3624600	167114838	/nfs/dbraw/zinc/11/48/38/167114838.db2.gz	QMTUCXGJDRIQSH-UHFFFAOYSA-N	0	0	175.684	3.057	10	0		AGAERN
CCCn1c(Cl)nc2ccccc21	39075092	167117297	/nfs/dbraw/zinc/11/72/97/167117297.db2.gz	GSCJWQVBZGODGW-UHFFFAOYSA-N	0	0	194.665	3.100	10	0		AGAERN
CCCn1c(C)cc2c(O)cccc21	75579282	167118149	/nfs/dbraw/zinc/11/81/49/167118149.db2.gz	WDLJVKZEHGZXSH-UHFFFAOYSA-N	0	0	189.258	3.065	10	0		AGAERN
CCCn1cnc2cc(Cl)ccc21	40417495	167120161	/nfs/dbraw/zinc/12/01/61/167120161.db2.gz	FMXWRJGEDAMBCO-UHFFFAOYSA-N	0	0	194.665	3.100	10	0		AGAERN
CC[C@@H](C)Nc1cscc1C	134326196	343939788	/nfs/dbraw/zinc/93/97/88/343939788.db2.gz	NGPAVXOGZKUEMH-MRVPVSSYSA-N	0	0	169.293	3.267	10	0		AGAERN
CCCn1cnc2ccc(Cl)cc21	40417496	167122164	/nfs/dbraw/zinc/12/21/64/167122164.db2.gz	UUBVYWCIUDSZTL-UHFFFAOYSA-N	0	0	194.665	3.100	10	0		AGAERN
CCN(CC)c1ccc(C)c(C)c1	34127781	167171875	/nfs/dbraw/zinc/17/18/75/167171875.db2.gz	JNMWNOFTCDEJHU-UHFFFAOYSA-N	0	0	177.291	3.150	10	0		AGAERN
CCN(CC)c1ccc(N=O)cc1C	5316456	167176097	/nfs/dbraw/zinc/17/60/97/167176097.db2.gz	MANVNUMIDMOMOS-UHFFFAOYSA-N	0	0	192.262	3.239	10	0		AGAERN
CCCc1cccc2cccnc12	32192712	167106245	/nfs/dbraw/zinc/10/62/45/167106245.db2.gz	VZIPUJKMLKRHSQ-UHFFFAOYSA-N	0	0	171.243	3.187	10	0		AGAERN
CCNc1c(C)c(Cl)cc(C)c1O	71457038	167303496	/nfs/dbraw/zinc/30/34/96/167303496.db2.gz	YZKQBFZVNHQJIV-UHFFFAOYSA-N	0	0	199.681	3.094	10	0		AGAERN
CCNc1c(C)cc(OCC)cc1C	71456874	167305168	/nfs/dbraw/zinc/30/51/68/167305168.db2.gz	ULDOHFRTLVSWNE-UHFFFAOYSA-N	0	0	193.290	3.134	10	0		AGAERN
CCNc1cc(Cl)cc(C)c1OC	82589057	167305844	/nfs/dbraw/zinc/30/58/44/167305844.db2.gz	JSMYWBAIIKOGAV-UHFFFAOYSA-N	0	0	199.681	3.089	10	0		AGAERN
CCNc1cc(C(C)C)c(O)cc1C	71455987	167306001	/nfs/dbraw/zinc/30/60/01/167306001.db2.gz	KZHWTNBUZUJUGR-UHFFFAOYSA-N	0	0	193.290	3.256	10	0		AGAERN
CCNc1c(O)cc(C)c(Cl)c1C	71455006	167306083	/nfs/dbraw/zinc/30/60/83/167306083.db2.gz	NTMGBKGQYFSERJ-UHFFFAOYSA-N	0	0	199.681	3.094	10	0		AGAERN
CCNc1cc(C)n(C(C)C)c1C	77268592	167306383	/nfs/dbraw/zinc/30/63/83/167306383.db2.gz	KQYKBGAXNLWWAJ-UHFFFAOYSA-N	0	0	180.295	3.118	10	0		AGAERN
CCNc1cc(Cl)ccc1OCC	37780855	167306486	/nfs/dbraw/zinc/30/64/86/167306486.db2.gz	VFOLBKKJXGSGPY-UHFFFAOYSA-N	0	0	199.681	3.171	10	0		AGAERN
CCNc1cc(F)ccc1OC(C)C	71464808	167306667	/nfs/dbraw/zinc/30/66/67/167306667.db2.gz	HRLDMRZYTJKJKO-UHFFFAOYSA-N	0	0	197.253	3.045	10	0		AGAERN
CCNc1cc(C)c(C)cc1C	82587595	167306869	/nfs/dbraw/zinc/30/68/69/167306869.db2.gz	LLXLFGMEHNEACT-UHFFFAOYSA-N	0	0	163.264	3.044	10	0		AGAERN
CCNc1c(CC)cccc1CC	51787590	167306903	/nfs/dbraw/zinc/30/69/03/167306903.db2.gz	ADOWNRXFYATBKL-UHFFFAOYSA-N	0	0	177.291	3.243	10	0		AGAERN
CCNc1cc(C(C)C)ccc1OC	82588757	167306909	/nfs/dbraw/zinc/30/69/09/167306909.db2.gz	ZHLBIVCVVFIJJW-UHFFFAOYSA-N	0	0	193.290	3.250	10	0		AGAERN
CCNc1cc(Cl)c(OC)cc1C	82589056	167306952	/nfs/dbraw/zinc/30/69/52/167306952.db2.gz	KIPSKJHDOAOMBS-UHFFFAOYSA-N	0	0	199.681	3.089	10	0		AGAERN
CCNc1cc(C)ccc1SC	71454305	167307021	/nfs/dbraw/zinc/30/70/21/167307021.db2.gz	OTHYMAMJQKYMDL-UHFFFAOYSA-N	0	0	181.304	3.149	10	0		AGAERN
CCNc1cc(C)c(OCC)cc1C	82588758	167307042	/nfs/dbraw/zinc/30/70/42/167307042.db2.gz	BTHDGYIBWAZBNO-UHFFFAOYSA-N	0	0	193.290	3.134	10	0		AGAERN
CCNc1cc(C)c(OC)c(C)c1C	82588761	167307126	/nfs/dbraw/zinc/30/71/26/167307126.db2.gz	ZIKFBKGPHRIOOW-UHFFFAOYSA-N	0	0	193.290	3.052	10	0		AGAERN
CCNc1cc(Cl)c(C)cc1OC	71454631	167307158	/nfs/dbraw/zinc/30/71/58/167307158.db2.gz	ROOJGSPRDOQFLQ-UHFFFAOYSA-N	0	0	199.681	3.089	10	0		AGAERN
CCNc1cc(C(C)(C)C)ccc1O	71452795	167307340	/nfs/dbraw/zinc/30/73/40/167307340.db2.gz	CRBYZBQGNYJEKT-UHFFFAOYSA-N	0	0	193.290	3.122	10	0		AGAERN
CCNc1cc(C)ccc1OC(C)C	71451432	167307772	/nfs/dbraw/zinc/30/77/72/167307772.db2.gz	NFLPRBYZMNEPHR-UHFFFAOYSA-N	0	0	193.290	3.214	10	0		AGAERN
CCNc1ccc(SCC)cc1	71453248	167308648	/nfs/dbraw/zinc/30/86/48/167308648.db2.gz	CVFZZZNBKREUFT-UHFFFAOYSA-N	0	0	181.304	3.230	10	0		AGAERN
CCNc1ccc2c(c1)CCCS2	77278541	167308689	/nfs/dbraw/zinc/30/86/89/167308689.db2.gz	NGEBVSFOEVEKTP-UHFFFAOYSA-N	0	0	193.315	3.157	10	0		AGAERN
CCNc1ccc(OC(C)C)c(C)c1	82588760	167309190	/nfs/dbraw/zinc/30/91/90/167309190.db2.gz	MNHUBIKEXNGXOA-UHFFFAOYSA-N	0	0	193.290	3.214	10	0		AGAERN
CCNc1ccc2sccc2c1	34102394	167309333	/nfs/dbraw/zinc/30/93/33/167309333.db2.gz	XKNRPRPEUYJLIJ-UHFFFAOYSA-N	0	0	177.272	3.333	10	0		AGAERN
CCNc1ccc(OC(C)C)c(F)c1	82588974	167309526	/nfs/dbraw/zinc/30/95/26/167309526.db2.gz	BKBIQDXZDBGAKP-UHFFFAOYSA-N	0	0	197.253	3.045	10	0		AGAERN
CCNc1ccc(OCC)c(C)c1C	71456625	167309611	/nfs/dbraw/zinc/30/96/11/167309611.db2.gz	OXFJPRJUAGDLJK-UHFFFAOYSA-N	0	0	193.290	3.134	10	0		AGAERN
CCNc1ccc(O)c(C(C)(C)C)c1	71452299	167309953	/nfs/dbraw/zinc/30/99/53/167309953.db2.gz	NSHRQGGLWKZDNK-UHFFFAOYSA-N	0	0	193.290	3.122	10	0		AGAERN
CCNc1cccc(C(C)(F)F)c1	306307577	167309999	/nfs/dbraw/zinc/30/99/99/167309999.db2.gz	FSBBDXJZDGCTCQ-UHFFFAOYSA-N	0	0	185.217	3.230	10	0		AGAERN
CCNc1ccc(OC(C)C)cc1C	37780602	167310428	/nfs/dbraw/zinc/31/04/28/167310428.db2.gz	IOTQUKCPQDRFBG-UHFFFAOYSA-N	0	0	193.290	3.214	10	0		AGAERN
CCNc1ccccc1SCC	37779136	167310895	/nfs/dbraw/zinc/31/08/95/167310895.db2.gz	MJSPKLXARJQCNN-UHFFFAOYSA-N	0	0	181.304	3.230	10	0		AGAERN
CCNc1ccc(OC(C)(C)C)cc1	82588759	167311041	/nfs/dbraw/zinc/31/10/41/167311041.db2.gz	PCPMFWIELCUKSV-UHFFFAOYSA-N	0	0	193.290	3.296	10	0		AGAERN
CCNc1ccc(OC)c(C(C)C)c1	71455713	167311398	/nfs/dbraw/zinc/31/13/98/167311398.db2.gz	FPYNRCRSPHFRHS-UHFFFAOYSA-N	0	0	193.290	3.250	10	0		AGAERN
CCNc1nc(C(C)C)c(C)s1	61714340	167312189	/nfs/dbraw/zinc/31/21/89/167312189.db2.gz	WBXTYNKCMJOKND-UHFFFAOYSA-N	0	0	184.308	3.007	10	0		AGAERN
CCNc1nc([C@@H](C)CC)cs1	61714342	167312786	/nfs/dbraw/zinc/31/27/86/167312786.db2.gz	YHJQSKTWBFGECB-ZETCQYMHSA-N	0	0	184.308	3.088	10	0		AGAERN
CCNc1nc2ccc(C)cc2s1	41651363	167313101	/nfs/dbraw/zinc/31/31/01/167313101.db2.gz	GFEWPEACDIIDSC-UHFFFAOYSA-N	0	0	192.287	3.037	10	0		AGAERN
CCNc1nc([C@H](C)CC)cs1	61714341	167313696	/nfs/dbraw/zinc/31/36/96/167313696.db2.gz	YHJQSKTWBFGECB-SSDOTTSWSA-N	0	0	184.308	3.088	10	0		AGAERN
CCNc1nc2c(s1)CCC[C@H]2C	61877199	167313988	/nfs/dbraw/zinc/31/39/88/167313988.db2.gz	WUABFDLXSPQCNO-SSDOTTSWSA-N	0	0	196.319	3.015	10	0		AGAERN
CCNc1nc2cc(C)ccc2s1	34651777	167314470	/nfs/dbraw/zinc/31/44/70/167314470.db2.gz	WPSRGWBQUFLMPK-UHFFFAOYSA-N	0	0	192.287	3.037	10	0		AGAERN
CCNc1nc2c(s1)CCC[C@@H]2C	61877198	167314718	/nfs/dbraw/zinc/31/47/18/167314718.db2.gz	WUABFDLXSPQCNO-ZETCQYMHSA-N	0	0	196.319	3.015	10	0		AGAERN
CCOC(=O)/C(C)=C\C1CCCCC1	95828956	167318636	/nfs/dbraw/zinc/31/86/36/167318636.db2.gz	PFGOKHUIRGSHFD-KTKRTIGZSA-N	0	0	196.290	3.076	10	0		AGAERN
CCOC(=O)C(C)=C1CCC(C)CC1	34611682	167324308	/nfs/dbraw/zinc/32/43/08/167324308.db2.gz	XHFGTZUYGYOANA-UHFFFAOYSA-N	0	0	196.290	3.076	10	0		AGAERN
CCOC(=O)C(C)(C)CCC(C)C	43503522	167324921	/nfs/dbraw/zinc/32/49/21/167324921.db2.gz	NXJWKKCLYDCVTM-UHFFFAOYSA-N	0	0	186.295	3.012	10	0		AGAERN
CCOC(=O)CCC1CCCCCC1	43503397	167329549	/nfs/dbraw/zinc/32/95/49/167329549.db2.gz	YWNMKCNTLWWHEO-UHFFFAOYSA-N	0	0	198.306	3.300	10	0		AGAERN
CCOC(CC(CC)CC)OCC	43502973	167377672	/nfs/dbraw/zinc/37/76/72/167377672.db2.gz	QHJIPGPDIDVUAN-UHFFFAOYSA-N	0	0	188.311	3.212	10	0		AGAERN
CCOC(CCC(C)(C)C)OCC	43502922	167377883	/nfs/dbraw/zinc/37/78/83/167377883.db2.gz	AEHLUDNLRQHZJL-UHFFFAOYSA-N	0	0	188.311	3.212	10	0		AGAERN
CCOC(=S)/C=C/c1ccccc1	1617349	167378000	/nfs/dbraw/zinc/37/80/00/167378000.db2.gz	BBGYVZJRHVBAEI-CMDGGOBGSA-N	0	0	192.283	3.064	10	0		AGAERN
CCOC(OCC)c1cccc(C)c1	43503185	167379265	/nfs/dbraw/zinc/37/92/65/167379265.db2.gz	ZGRKETDTZTYFLN-UHFFFAOYSA-N	0	0	194.274	3.067	10	0		AGAERN
CCOC(OCC)c1ccc(C)cc1	1841259	167379774	/nfs/dbraw/zinc/37/97/74/167379774.db2.gz	KCKGLVOPXDIEIJ-UHFFFAOYSA-N	0	0	194.274	3.067	10	0		AGAERN
CCOC(OCC)[C@H](C)CC(C)C	43503171	167380079	/nfs/dbraw/zinc/38/00/79/167380079.db2.gz	OFWJVQXMMUBFEP-SNVBAGLBSA-N	0	0	188.311	3.068	10	0		AGAERN
CCOC(OCC)C(C)(CC)CC	43503178	167380609	/nfs/dbraw/zinc/38/06/09/167380609.db2.gz	QHLUBUDNUVRVLX-UHFFFAOYSA-N	0	0	188.311	3.212	10	0		AGAERN
CCOC1=Nc2cccc3cccc1c23	350307	167380791	/nfs/dbraw/zinc/38/07/91/167380791.db2.gz	WLKYEEZQBNQIKD-UHFFFAOYSA-N	0	0	197.237	3.268	10	0		AGAERN
CCOC(CCCC(C)C)OCC	43503167	167381090	/nfs/dbraw/zinc/38/10/90/167381090.db2.gz	QLNHZMIHNMAFSJ-UHFFFAOYSA-N	0	0	188.311	3.212	10	0		AGAERN
CCOC(OCC)[C@@H](C)CC(C)C	43503169	167381307	/nfs/dbraw/zinc/38/13/07/167381307.db2.gz	OFWJVQXMMUBFEP-JTQLQIEISA-N	0	0	188.311	3.068	10	0		AGAERN
CCOC1CCC(C(C)C)CC1	39104444	167383051	/nfs/dbraw/zinc/38/30/51/167383051.db2.gz	PUAJGAJJXJSUKJ-UHFFFAOYSA-N	0	0	170.296	3.238	10	0		AGAERN
CCc1ccc(CC)c(Cl)c1	134722500	343948699	/nfs/dbraw/zinc/94/86/99/343948699.db2.gz	YDFNHLWFAPERNE-UHFFFAOYSA-N	0	0	168.667	3.465	10	0		AGAERN
Cc1cccc(NC2CCC2)c1F	134708812	343948710	/nfs/dbraw/zinc/94/87/10/343948710.db2.gz	KTCRKFWDYBDPAF-UHFFFAOYSA-N	0	0	179.238	3.099	10	0		AGAERN
CCOP(OCC)OC(C)(C)C	1445001	167398620	/nfs/dbraw/zinc/39/86/20/167398620.db2.gz	HKTBYYKZQJMYEJ-UHFFFAOYSA-N	0	0	194.211	3.101	10	0		AGAERN
CCOP1OC(C)=CC1(C)C	2391366	167399932	/nfs/dbraw/zinc/39/99/32/167399932.db2.gz	SGQXVFZPVAZYLX-UHFFFAOYSA-N	0	0	174.180	3.047	10	0		AGAERN
CCO[C@@H]1C=CC=Cc2ccccc21	21995317	167401335	/nfs/dbraw/zinc/40/13/35/167401335.db2.gz	DUZMKNIYALAIRZ-CYBMUJFWSA-N	0	0	186.254	3.347	10	0		AGAERN
CCO[C@@H](C)c1ccccc1Cl	80405459	167402526	/nfs/dbraw/zinc/40/25/26/167402526.db2.gz	CUTATXIJOCQYOZ-QMMMGPOBSA-N	0	0	184.666	3.438	10	0		AGAERN
CCO[C@@H]1CCCC[C@@H]1C(C)C	33992193	167404332	/nfs/dbraw/zinc/40/43/32/167404332.db2.gz	XGVWNKVLHIGQSL-GHMZBOCLSA-N	0	0	170.296	3.238	10	0		AGAERN
CCO[C@@H]1C[C@H](C)CC(C)(C)C1	5860951	167404633	/nfs/dbraw/zinc/40/46/33/167404633.db2.gz	JVBNHJDWWBSWLE-VHSXEESVSA-N	0	0	170.296	3.238	10	0		AGAERN
CCO[C@@H]1C[C@@H](C)CC(C)(C)C1	5860955	167405349	/nfs/dbraw/zinc/40/53/49/167405349.db2.gz	JVBNHJDWWBSWLE-NXEZZACHSA-N	0	0	170.296	3.238	10	0		AGAERN
CCO[C@H](C)c1ccccc1Cl	80405463	167406281	/nfs/dbraw/zinc/40/62/81/167406281.db2.gz	CUTATXIJOCQYOZ-MRVPVSSYSA-N	0	0	184.666	3.438	10	0		AGAERN
CCO[C@H]1CCCC[C@@H]1C(C)C	33992194	167406853	/nfs/dbraw/zinc/40/68/53/167406853.db2.gz	XGVWNKVLHIGQSL-MNOVXSKESA-N	0	0	170.296	3.238	10	0		AGAERN
CCO[C@H]1CCCC[C@H]1C(C)C	33992196	167407558	/nfs/dbraw/zinc/40/75/58/167407558.db2.gz	XGVWNKVLHIGQSL-QWRGUYRKSA-N	0	0	170.296	3.238	10	0		AGAERN
CCOc1cc(C)c(NC)cc1Cl	71507965	167412679	/nfs/dbraw/zinc/41/26/79/167412679.db2.gz	WVDIMZJKSDPCKJ-UHFFFAOYSA-N	0	0	199.681	3.089	10	0		AGAERN
CCP(=O)(C=C=C(C)C)CC	2391309	167430169	/nfs/dbraw/zinc/43/01/69/167430169.db2.gz	ROOQOFLDCCOQLJ-UHFFFAOYSA-N	0	0	172.208	3.468	10	0		AGAERN
CCSCCNc1cccc(C)c1	41580153	167435174	/nfs/dbraw/zinc/43/51/74/167435174.db2.gz	SWGFBTFFUYZALE-UHFFFAOYSA-N	0	0	195.331	3.160	10	0		AGAERN
CCSCP(=O)(CC)CC	2391291	167435978	/nfs/dbraw/zinc/43/59/78/167435978.db2.gz	IMWWCSVINICKKG-UHFFFAOYSA-N	0	0	180.253	3.100	10	0		AGAERN
CCSc1ccc(C)cc1[C@H](C)O	71454365	167437328	/nfs/dbraw/zinc/43/73/28/167437328.db2.gz	VXINDKGIFLVAMW-VIFPVBQESA-N	0	0	196.315	3.160	10	0		AGAERN
CCSc1ccc(C)cc1NC	71454354	167437810	/nfs/dbraw/zinc/43/78/10/167437810.db2.gz	KLDCFEWYKCFAGM-UHFFFAOYSA-N	0	0	181.304	3.149	10	0		AGAERN
CCSc1c(N)cccc1Cl	19869642	167437951	/nfs/dbraw/zinc/43/79/51/167437951.db2.gz	QCCVQHMWYAAEML-UHFFFAOYSA-N	0	0	187.695	3.034	10	0		AGAERN
CCSc1ccc(F)cc1C(C)=O	19871653	167438020	/nfs/dbraw/zinc/43/80/20/167438020.db2.gz	OJWUYMOVXQDHGF-UHFFFAOYSA-N	0	0	198.262	3.140	10	0		AGAERN
CCSc1cc(O)ccc1Cl	75578931	167438103	/nfs/dbraw/zinc/43/81/03/167438103.db2.gz	KOSDSVOGPOBPHW-UHFFFAOYSA-N	0	0	188.679	3.158	10	0		AGAERN
CCS[C@H](C)c1cccc(N)c1	40908649	167438670	/nfs/dbraw/zinc/43/86/70/167438670.db2.gz	UYDDWARRVRZSIL-MRVPVSSYSA-N	0	0	181.304	3.083	10	0		AGAERN
CCSc1ccc(Cl)cc1O	71454203	167438705	/nfs/dbraw/zinc/43/87/05/167438705.db2.gz	YJJBHKBICROPFD-UHFFFAOYSA-N	0	0	188.679	3.158	10	0		AGAERN
CCSc1cccc(F)c1C(C)=O	19871655	167439966	/nfs/dbraw/zinc/43/99/66/167439966.db2.gz	ILCOVRAAIZNZMH-UHFFFAOYSA-N	0	0	198.262	3.140	10	0		AGAERN
Cc1cscc1NC1CCC1	134707602	343948742	/nfs/dbraw/zinc/94/87/42/343948742.db2.gz	ZAKYNIYFPGECQF-UHFFFAOYSA-N	0	0	167.277	3.021	10	0		AGAERN
Cc1ccc2c(Cl)c[nH]c2c1	134722183	343948743	/nfs/dbraw/zinc/94/87/43/343948743.db2.gz	NVELQEDRGFTOFB-UHFFFAOYSA-N	0	0	165.623	3.130	10	0		AGAERN
CC[C@@H](C(C)C)n1cccc1	42593092	167449507	/nfs/dbraw/zinc/44/95/07/167449507.db2.gz	VHYZWPRZPOXZOJ-JTQLQIEISA-N	0	0	151.253	3.095	10	0		AGAERN
CC[C@@H](C)CC(=O)c1ccccc1	38890859	167450636	/nfs/dbraw/zinc/45/06/36/167450636.db2.gz	LNVGEESKMXEWAR-SNVBAGLBSA-N	0	0	176.259	3.306	10	0		AGAERN
CC[C@@H](C)CCC(=O)C(C)(C)C	50425966	167451396	/nfs/dbraw/zinc/45/13/96/167451396.db2.gz	CNAXIFRFBPKGDS-SECBINFHSA-N	0	0	170.296	3.428	10	0		AGAERN
CC[C@@H](C)CCOC(=O)CC(C)C	38613352	167452153	/nfs/dbraw/zinc/45/21/53/167452153.db2.gz	BCLOAPWHACMPQO-SNVBAGLBSA-N	0	0	186.295	3.012	10	0		AGAERN
CC[C@@H](C)CCC(=O)C(C)C	34760964	167452273	/nfs/dbraw/zinc/45/22/73/167452273.db2.gz	UNTHZNTUZBDMII-SECBINFHSA-N	0	0	156.269	3.038	10	0		AGAERN
CC[C@@H](C)C(=O)c1cc(C)oc1C	43609476	167452450	/nfs/dbraw/zinc/45/24/50/167452450.db2.gz	KLOZBMUDQZXWHQ-SSDOTTSWSA-N	0	0	180.247	3.125	10	0		AGAERN
CC[C@@H](C)C[C@@H](CC)C(C)=O	50425978	167457695	/nfs/dbraw/zinc/45/76/95/167457695.db2.gz	OKKZICOKKOJCRT-PSASIEDQSA-N	0	0	156.269	3.038	10	0		AGAERN
CC[C@@H](C)CSc1ccccc1N	50425000	167458025	/nfs/dbraw/zinc/45/80/25/167458025.db2.gz	ZTOXNADVYOUKDX-SECBINFHSA-N	0	0	195.331	3.407	10	0		AGAERN
CC[C@@H](C)COc1cccc(O)c1C	50425827	167458560	/nfs/dbraw/zinc/45/85/60/167458560.db2.gz	DNKRRBIHADLFTB-SECBINFHSA-N	0	0	194.274	3.126	10	0		AGAERN
CC[C@@H](C)COc1ccc(N)c(C)c1	50423234	167458739	/nfs/dbraw/zinc/45/87/39/167458739.db2.gz	BLZSKCPCOIUJDA-SECBINFHSA-N	0	0	193.290	3.002	10	0		AGAERN
CC[C@@H](C)C[C@@H]1CCCCC[C@@H]1O	50428142	167459016	/nfs/dbraw/zinc/45/90/16/167459016.db2.gz	XWZGJZQACGOUBP-WOPDTQHZSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H](C)CSc1ccc(N)cc1	50425027	167459179	/nfs/dbraw/zinc/45/91/79/167459179.db2.gz	LMISZKSYVRVEIS-SECBINFHSA-N	0	0	195.331	3.407	10	0		AGAERN
CC[C@@H](C)Nc1ccc(N)cc1Cl	20381569	167478499	/nfs/dbraw/zinc/47/84/99/167478499.db2.gz	XJXCOZRWTGORLP-SSDOTTSWSA-N	0	0	198.697	3.133	10	0		AGAERN
CC[C@@H](C)Nc1cc(F)cc(F)c1	19962021	167480038	/nfs/dbraw/zinc/48/00/38/167480038.db2.gz	COMRVYVDRZFPOL-SSDOTTSWSA-N	0	0	185.217	3.175	10	0		AGAERN
CC[C@@H](C)Oc1ccc(C(C)=O)cc1	20217349	167481776	/nfs/dbraw/zinc/48/17/76/167481776.db2.gz	QIBSFGLGAMPXCQ-SECBINFHSA-N	0	0	192.258	3.067	10	0		AGAERN
CC[C@@H](C)O[C@@H](C)c1ccc(N)cc1	42288476	167482271	/nfs/dbraw/zinc/48/22/71/167482271.db2.gz	DUKZBAPEHWAGEH-ZJUUUORDSA-N	0	0	193.290	3.145	10	0		AGAERN
CC[C@@H](C)O[C@H](C)c1ccc(N)cc1	42288480	167482853	/nfs/dbraw/zinc/48/28/53/167482853.db2.gz	DUKZBAPEHWAGEH-NXEZZACHSA-N	0	0	193.290	3.145	10	0		AGAERN
CC[C@@H](C)Sc1ccc(C)cc1N	36964633	167484900	/nfs/dbraw/zinc/48/49/00/167484900.db2.gz	LMWOOZFIBAZCPV-SECBINFHSA-N	0	0	195.331	3.468	10	0		AGAERN
CC[C@@H](C)[C@@](C)(O)c1ccccc1C	37745652	167488158	/nfs/dbraw/zinc/48/81/58/167488158.db2.gz	MJVYOHFXCUKCRO-DGCLKSJQSA-N	0	0	192.302	3.249	10	0		AGAERN
CC[C@@H](C)[C@@](C)(O)c1cccc(F)c1	37745660	167490012	/nfs/dbraw/zinc/49/00/12/167490012.db2.gz	UVYBFHIBDPGQCY-BXKDBHETSA-N	0	0	196.265	3.079	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1cc(C)sc1C	40257203	167490196	/nfs/dbraw/zinc/49/01/96/167490196.db2.gz	UWNOTKKZNQVRGE-RDDDGLTNSA-N	0	0	198.331	3.444	10	0		AGAERN
CC[C@@H](C)[C@@](C)(O)C1CCCCC1	37745632	167490273	/nfs/dbraw/zinc/49/02/73/167490273.db2.gz	GLXMWEBDRNYTQT-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1ccc(C)c(C)c1	40241737	167490629	/nfs/dbraw/zinc/49/06/29/167490629.db2.gz	JAIXWKDLVKAKAQ-NOZJJQNGSA-N	0	0	192.302	3.383	10	0		AGAERN
CC[C@@H](C)[C@@H]1CCCCCC1=O	76596798	167490750	/nfs/dbraw/zinc/49/07/50/167490750.db2.gz	YLAKIJTZPUQZFR-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1sccc1C	42731250	167490946	/nfs/dbraw/zinc/49/09/46/167490946.db2.gz	KURSPBDLTAFZMJ-VXNVDRBHSA-N	0	0	184.304	3.136	10	0		AGAERN
CC[C@@H](C)[C@H](C)Nc1cccc(O)c1	20194252	167493649	/nfs/dbraw/zinc/49/36/49/167493649.db2.gz	BEBATLUAZFVEKJ-ZJUUUORDSA-N	0	0	193.290	3.239	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1ccc(C)cc1	34615494	167493863	/nfs/dbraw/zinc/49/38/63/167493863.db2.gz	WJOMLFKHWPDQFE-PWSUYJOCSA-N	0	0	178.275	3.075	10	0		AGAERN
CC[C@@H](C)c1csc(NC(C)C)n1	61714465	167495259	/nfs/dbraw/zinc/49/52/59/167495259.db2.gz	XBFOAMDDKISYMM-MRVPVSSYSA-N	0	0	198.335	3.477	10	0		AGAERN
CC[C@@H](C)c1nc(C(C)C)sc1N	50308968	167495323	/nfs/dbraw/zinc/49/53/23/167495323.db2.gz	HMCZXHCKJWGKEN-SSDOTTSWSA-N	0	0	198.335	3.362	10	0		AGAERN
CC[C@@H](C)c1cnc(C(C)C)cn1	35881951	167496836	/nfs/dbraw/zinc/49/68/36/167496836.db2.gz	YKOVLVGOQIHYJS-SECBINFHSA-N	0	0	178.279	3.114	10	0		AGAERN
CC[C@@H](C)c1nc(C2CC2)sc1N	50309167	167498604	/nfs/dbraw/zinc/49/86/04/167498604.db2.gz	XOOWTEVKHWDRLB-ZCFIWIBFSA-N	0	0	196.319	3.116	10	0		AGAERN
CCNc1ccc(OCC(C)C)cc1	66165596	167311299	/nfs/dbraw/zinc/31/12/99/167311299.db2.gz	LRRDTZOIFFBDIJ-UHFFFAOYSA-N	0	0	193.290	3.153	10	0		AGAERN
CC[C@@H](CCC(C)C)C(C)=O	38004212	167506903	/nfs/dbraw/zinc/50/69/03/167506903.db2.gz	XYJKNPGQUMBCOI-JTQLQIEISA-N	0	0	156.269	3.038	10	0		AGAERN
CC[C@@H](CCC(C)(C)C)C(C)=O	49255515	167507455	/nfs/dbraw/zinc/50/74/55/167507455.db2.gz	KDYPEZZLCCVUIT-JTQLQIEISA-N	0	0	170.296	3.428	10	0		AGAERN
CC[C@@H](CCC(C)(C)C)[C@@H](C)O	43657298	167507561	/nfs/dbraw/zinc/50/75/61/167507561.db2.gz	YXQFTLHFLMHBAQ-ZJUUUORDSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@@H](Cc1ccc(C)cc1)C(C)=O	38004184	167517781	/nfs/dbraw/zinc/51/77/81/167517781.db2.gz	JWOXGVVJBYTYJX-ZDUSSCGKSA-N	0	0	190.286	3.153	10	0		AGAERN
CC[C@@H](C[C@H](C)CC)C(C)=O	50425981	167518071	/nfs/dbraw/zinc/51/80/71/167518071.db2.gz	OKKZICOKKOJCRT-SCZZXKLOSA-N	0	0	156.269	3.038	10	0		AGAERN
CC[C@@H](O)CCc1cc(C)ccc1C	43657836	167534379	/nfs/dbraw/zinc/53/43/79/167534379.db2.gz	LBSLCLGUUWJKPB-CYBMUJFWSA-N	0	0	192.302	3.007	10	0		AGAERN
CC[C@@H](O)CCC1CCCCC1	43657747	167535647	/nfs/dbraw/zinc/53/56/47/167535647.db2.gz	BGVFQNCVKDJSAO-LLVKDONJSA-N	0	0	170.296	3.118	10	0		AGAERN
CC[C@@H](O)CCc1ccc(C)c(C)c1	43657863	167535652	/nfs/dbraw/zinc/53/56/52/167535652.db2.gz	FGRYZXOGKRSUNB-CYBMUJFWSA-N	0	0	192.302	3.007	10	0		AGAERN
CC[C@@H](O)CCc1ccccc1Cl	43657732	167535848	/nfs/dbraw/zinc/53/58/48/167535848.db2.gz	RRDQQXQFNFOKBP-SNVBAGLBSA-N	0	0	198.693	3.044	10	0		AGAERN
CC[C@@H](O)c1cc(C)ccc1SC	71454317	167539610	/nfs/dbraw/zinc/53/96/10/167539610.db2.gz	XUXFZJMWFFIKIW-SNVBAGLBSA-N	0	0	196.315	3.160	10	0		AGAERN
CC[C@@H](c1ccccc1)n1cccc1	51629811	167542849	/nfs/dbraw/zinc/54/28/49/167542849.db2.gz	QTDZQEAANFQYEM-ZDUSSCGKSA-N	0	0	185.270	3.488	10	0		AGAERN
CC[C@@H]1CC=C[C@H](C)[C@@]12CCCC2=O	39112241	167544909	/nfs/dbraw/zinc/54/49/09/167544909.db2.gz	VGKTWDYMGFEXOB-LOWVWBTDSA-N	0	0	192.302	3.348	10	0		AGAERN
CC[C@@H]1CC(C)=CC[C@@]12CCCC2=O	39112237	167546359	/nfs/dbraw/zinc/54/63/59/167546359.db2.gz	CETJGHKROKBFLC-YPMHNXCESA-N	0	0	192.302	3.492	10	0		AGAERN
CC[C@@H]1CC(=O)c2cc(C)cc(C)c21	41204230	167546932	/nfs/dbraw/zinc/54/69/32/167546932.db2.gz	LPPOSCKGPMRJDO-SNVBAGLBSA-N	0	0	188.270	3.383	10	0		AGAERN
CC[C@@H]1CCSc2ccccc2N1	196984269	167553929	/nfs/dbraw/zinc/55/39/29/167553929.db2.gz	VQQUUQHAONSSGU-SECBINFHSA-N	0	0	193.315	3.373	10	0		AGAERN
CC[C@@H]1CNc2c(Cl)cccc2C1	11987441	167560468	/nfs/dbraw/zinc/56/04/68/167560468.db2.gz	VYUNVSRLPFPZBG-QMMMGPOBSA-N	0	0	195.693	3.334	10	0		AGAERN
CC[C@@H]1CNc2cc(C)c(C)cc2C1	11633239	167561001	/nfs/dbraw/zinc/56/10/01/167561001.db2.gz	CLMKMMVHIBHRFA-NSHDSACASA-N	0	0	189.302	3.298	10	0		AGAERN
CC[C@@H]1CNc2cc(C)cc(C)c2C1	11633235	167561247	/nfs/dbraw/zinc/56/12/47/167561247.db2.gz	TZCJSAZQCLSXNM-NSHDSACASA-N	0	0	189.302	3.298	10	0		AGAERN
CC[C@@H]1CNc2c(ccc(C)c2C)C1	11633277	167562839	/nfs/dbraw/zinc/56/28/39/167562839.db2.gz	RMIVGJKSILUNGF-NSHDSACASA-N	0	0	189.302	3.298	10	0		AGAERN
CC[C@@H]1CNc2c(C)ccc(C)c2C1	11633237	167563433	/nfs/dbraw/zinc/56/34/33/167563433.db2.gz	PJVGQWLSAKBRLT-NSHDSACASA-N	0	0	189.302	3.298	10	0		AGAERN
CC[C@@H]1Cc2ccccc2S1	37625828	167567414	/nfs/dbraw/zinc/56/74/14/167567414.db2.gz	HKYGJTRLMKDUQT-SECBINFHSA-N	0	0	164.273	3.113	10	0		AGAERN
CC[C@@H]1C[C@H](C(C)(C)C)CCC1=O	32152446	167568846	/nfs/dbraw/zinc/56/88/46/167568846.db2.gz	UMEJTHPXAININP-NXEZZACHSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@](O)(c1ccc(C)cc1)C(C)C	37755307	167578053	/nfs/dbraw/zinc/57/80/53/167578053.db2.gz	ACORMVJKTCSZHE-ZDUSSCGKSA-N	0	0	192.302	3.249	10	0		AGAERN
CC[C@@](O)(c1ccccc1C)C(C)C	37755313	167578180	/nfs/dbraw/zinc/57/81/80/167578180.db2.gz	ZFBHKGBLYQRUDI-ZDUSSCGKSA-N	0	0	192.302	3.249	10	0		AGAERN
CC[C@@](C)(O)Cc1cc(C)ccc1C	49257493	167579451	/nfs/dbraw/zinc/57/94/51/167579451.db2.gz	KSKFQNYYBWFFEN-CYBMUJFWSA-N	0	0	192.302	3.007	10	0		AGAERN
CC[C@@](O)(c1ccccc1)C(C)(C)C	38884997	167579726	/nfs/dbraw/zinc/57/97/26/167579726.db2.gz	VPHFNAIQQKAMSG-CYBMUJFWSA-N	0	0	192.302	3.330	10	0		AGAERN
CC[C@@]1(C)CNc2ccc(C)cc2N1	76861046	167581043	/nfs/dbraw/zinc/58/10/43/167581043.db2.gz	MHZKJFVJSMXZCM-LBPRGKRZSA-N	0	0	190.290	3.001	10	0		AGAERN
CC[C@@]1(C)CC[C@](C)(CC)O1	1687043	167581468	/nfs/dbraw/zinc/58/14/68/167581468.db2.gz	PQPOMEZLVLVHBV-UWVGGRQHSA-N	0	0	156.269	3.134	10	0		AGAERN
CC[C@@]1(C)C(C)=Nc2ccccc21	32197466	167582745	/nfs/dbraw/zinc/58/27/45/167582745.db2.gz	LVCJOTSREMDVNB-LBPRGKRZSA-N	0	0	173.259	3.460	10	0		AGAERN
CC[C@@]1(O)CCCCc2ccccc21	34061131	167583866	/nfs/dbraw/zinc/58/38/66/167583866.db2.gz	CAKCGLKEOIBCAF-CYBMUJFWSA-N	0	0	190.286	3.011	10	0		AGAERN
CC[C@@]1(O)CCCC[C@@H]1C(C)(C)C	37375814	167583880	/nfs/dbraw/zinc/58/38/80/167583880.db2.gz	TXYGPIUYAFWJQB-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@]1(O)CCCC[C@H]1C(C)(C)C	37375821	167584288	/nfs/dbraw/zinc/58/42/88/167584288.db2.gz	TXYGPIUYAFWJQB-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)C(=O)c1cc(C)oc1C	43609478	167595736	/nfs/dbraw/zinc/59/57/36/167595736.db2.gz	KLOZBMUDQZXWHQ-ZETCQYMHSA-N	0	0	180.247	3.125	10	0		AGAERN
CC[C@H](C)CCC(=O)C(C)C	34760967	167596771	/nfs/dbraw/zinc/59/67/71/167596771.db2.gz	UNTHZNTUZBDMII-VIFPVBQESA-N	0	0	156.269	3.038	10	0		AGAERN
CC[C@H](C)C(=O)c1sccc1C	42728578	167597026	/nfs/dbraw/zinc/59/70/26/167597026.db2.gz	VATDOAWUWQYLQW-ZETCQYMHSA-N	0	0	182.288	3.285	10	0		AGAERN
CC[C@H](C)CNc1cccnc1Cl	36982517	167601355	/nfs/dbraw/zinc/60/13/55/167601355.db2.gz	CUXPCQGYHBSBOB-QMMMGPOBSA-N	0	0	198.697	3.193	10	0		AGAERN
CC[C@H](C)CSc1ccccc1N	50425002	167602030	/nfs/dbraw/zinc/60/20/30/167602030.db2.gz	ZTOXNADVYOUKDX-VIFPVBQESA-N	0	0	195.331	3.407	10	0		AGAERN
CC[C@H](C)COc1cccc(N)c1C	50423276	167602448	/nfs/dbraw/zinc/60/24/48/167602448.db2.gz	XTUUYGWTQMCIMN-VIFPVBQESA-N	0	0	193.290	3.002	10	0		AGAERN
CC[C@H](C)C[C@@H](O)c1ccccc1	34589349	167602628	/nfs/dbraw/zinc/60/26/28/167602628.db2.gz	KHCFEAPMSDSNTE-CMPLNLGQSA-N	0	0	178.275	3.156	10	0		AGAERN
CC[C@H](C)C[C@](O)(CC)C(F)(F)F	43367790	167604227	/nfs/dbraw/zinc/60/42/27/167604227.db2.gz	MZDZGTHFMMJGHB-JGVFFNPUSA-N	0	0	198.228	3.126	10	0		AGAERN
CC[C@H](C)C[C@H](CC)C(C)=O	50425983	167604473	/nfs/dbraw/zinc/60/44/73/167604473.db2.gz	OKKZICOKKOJCRT-WPRPVWTQSA-N	0	0	156.269	3.038	10	0		AGAERN
CC[C@H](C)Nc1cc(F)cc(F)c1	19962023	167617554	/nfs/dbraw/zinc/61/75/54/167617554.db2.gz	COMRVYVDRZFPOL-ZETCQYMHSA-N	0	0	185.217	3.175	10	0		AGAERN
CC[C@H](C)Nc1cccc(F)c1F	40229842	167622298	/nfs/dbraw/zinc/62/22/98/167622298.db2.gz	GTMAMJJOOBOBGK-ZETCQYMHSA-N	0	0	185.217	3.175	10	0		AGAERN
CC[C@H](C)SC(=O)[C@H](C)CC	5922059	167622959	/nfs/dbraw/zinc/62/29/59/167622959.db2.gz	KCXURGIGYRBXJE-SFYZADRCSA-N	0	0	174.309	3.091	10	0		AGAERN
CC[C@H](C)O[C@H](C)c1cccc(N)c1	42288406	167623237	/nfs/dbraw/zinc/62/32/37/167623237.db2.gz	GUECDPFHLRNWBN-VHSXEESVSA-N	0	0	193.290	3.145	10	0		AGAERN
CC[C@H](C)Oc1ccc(C(C)=O)cc1	20217350	167623317	/nfs/dbraw/zinc/62/33/17/167623317.db2.gz	QIBSFGLGAMPXCQ-VIFPVBQESA-N	0	0	192.258	3.067	10	0		AGAERN
CC[C@H](C)O[C@@H](C)c1cccc(N)c1	42288403	167623540	/nfs/dbraw/zinc/62/35/40/167623540.db2.gz	GUECDPFHLRNWBN-UWVGGRQHSA-N	0	0	193.290	3.145	10	0		AGAERN
CC[C@H](C)O[C@@H](C)c1ccc(N)cc1	42288478	167623720	/nfs/dbraw/zinc/62/37/20/167623720.db2.gz	DUKZBAPEHWAGEH-UWVGGRQHSA-N	0	0	193.290	3.145	10	0		AGAERN
CC[C@H](C)Sc1cccc(N)c1	37668168	167623922	/nfs/dbraw/zinc/62/39/22/167623922.db2.gz	QARVSNRNAMJKGU-QMMMGPOBSA-N	0	0	181.304	3.159	10	0		AGAERN
CC[C@H](C)Oc1ccc(C)cc1C	39212746	167624055	/nfs/dbraw/zinc/62/40/55/167624055.db2.gz	GQIIUWSZXBYQRX-NSHDSACASA-N	0	0	178.275	3.481	10	0		AGAERN
CC[C@H](C)SCc1cccc(N)c1	19869721	167624189	/nfs/dbraw/zinc/62/41/89/167624189.db2.gz	NESYSJPVYCZCLV-VIFPVBQESA-N	0	0	195.331	3.301	10	0		AGAERN
CC[C@H](C)S[C@@H]1CCCCC1=O	35182652	167624342	/nfs/dbraw/zinc/62/43/42/167624342.db2.gz	CTRCYOPHZZHDTQ-WCBMZHEXSA-N	0	0	186.320	3.030	10	0		AGAERN
CC[C@H](C)Sc1ccc(F)cc1N	19869632	167624418	/nfs/dbraw/zinc/62/44/18/167624418.db2.gz	ACSIONQIBYIOHM-ZETCQYMHSA-N	0	0	199.294	3.299	10	0		AGAERN
CC[C@H](C)[C@@H](C)Nc1nc(C)cs1	42557331	167626288	/nfs/dbraw/zinc/62/62/88/167626288.db2.gz	ZTAWIKOZHWULMN-IONNQARKSA-N	0	0	198.335	3.298	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1ccc(C)cc1C	40245819	167628792	/nfs/dbraw/zinc/62/87/92/167628792.db2.gz	HFTOIFDLOVOYQI-GXFFZTMASA-N	0	0	192.302	3.383	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1ccc(Cl)cc1	40243846	167629336	/nfs/dbraw/zinc/62/93/36/167629336.db2.gz	CMPMLFUZGIOIMC-GZMMTYOYSA-N	0	0	198.693	3.420	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1ccc(C)s1	40242165	167629623	/nfs/dbraw/zinc/62/96/23/167629623.db2.gz	SPBACTRJZXJCMW-OIBJUYFYSA-N	0	0	184.304	3.136	10	0		AGAERN
CC[C@H](C)[C@H](O)c1ccc(Cl)cc1	40243844	167632412	/nfs/dbraw/zinc/63/24/12/167632412.db2.gz	CMPMLFUZGIOIMC-KWQFWETISA-N	0	0	198.693	3.420	10	0		AGAERN
CC[C@H](C)c1cccc([C@H](C)O)c1	62718936	167633064	/nfs/dbraw/zinc/63/30/64/167633064.db2.gz	KUDDZKWHLYCXMU-UWVGGRQHSA-N	0	0	178.275	3.253	10	0		AGAERN
CC[C@H](C)[C@](C)(O)C1CCCCC1	37745631	167633276	/nfs/dbraw/zinc/63/32/76/167633276.db2.gz	GLXMWEBDRNYTQT-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)c1ccc([C@H](C)O)cc1	36156360	167635116	/nfs/dbraw/zinc/63/51/16/167635116.db2.gz	POXXJHIATZJFKV-UWVGGRQHSA-N	0	0	178.275	3.253	10	0		AGAERN
CC[C@H](C)n1c(C(C)C)n[nH]c1=S	20590050	167637063	/nfs/dbraw/zinc/63/70/63/167637063.db2.gz	ZKOQWGGATBQMCY-ZETCQYMHSA-N	0	0	199.323	3.035	10	0		AGAERN
CC[C@H](C)c1noc(C=C(C)C)n1	306226614	167637097	/nfs/dbraw/zinc/63/70/97/167637097.db2.gz	WEKJZAXKRNUMKI-QMMMGPOBSA-N	0	0	180.251	3.006	10	0		AGAERN
CC[C@H](CCC(C)(C)C)[C@H](C)O	43657303	167642103	/nfs/dbraw/zinc/64/21/03/167642103.db2.gz	YXQFTLHFLMHBAQ-VHSXEESVSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@H](Cc1ccc(C)cc1)C(C)=O	38004185	167649648	/nfs/dbraw/zinc/64/96/48/167649648.db2.gz	JWOXGVVJBYTYJX-CYBMUJFWSA-N	0	0	190.286	3.153	10	0		AGAERN
CC[C@H](Nc1cccc(F)n1)C(C)C	42595559	167665567	/nfs/dbraw/zinc/66/55/67/167665567.db2.gz	BVMAIEUAUWKWHZ-VIFPVBQESA-N	0	0	196.269	3.067	10	0		AGAERN
CC[C@H](O)CCc1ccc(C)c(C)c1	43657862	167666041	/nfs/dbraw/zinc/66/60/41/167666041.db2.gz	FGRYZXOGKRSUNB-ZDUSSCGKSA-N	0	0	192.302	3.007	10	0		AGAERN
CC[C@H](O)CCc1ccc(Cl)cc1	43657725	167666377	/nfs/dbraw/zinc/66/63/77/167666377.db2.gz	AIPAKJXTZHFRNR-NSHDSACASA-N	0	0	198.693	3.044	10	0		AGAERN
CC[C@H](O)CCCCc1ccccc1	43657858	167666479	/nfs/dbraw/zinc/66/64/79/167666479.db2.gz	FGGCAMZUJUBLJM-ZDUSSCGKSA-N	0	0	192.302	3.170	10	0		AGAERN
CC[C@H](c1ccccc1)n1cccc1	51629812	167672816	/nfs/dbraw/zinc/67/28/16/167672816.db2.gz	QTDZQEAANFQYEM-CYBMUJFWSA-N	0	0	185.270	3.488	10	0		AGAERN
CC[C@H]1CC(=O)c2c(C)ccc(C)c21	41204236	167674677	/nfs/dbraw/zinc/67/46/77/167674677.db2.gz	QLTLJXRPMNLGRQ-JTQLQIEISA-N	0	0	188.270	3.383	10	0		AGAERN
CC[C@H]1CCC(=O)[C@H](CC(C)C)C1	44468763	167675391	/nfs/dbraw/zinc/67/53/91/167675391.db2.gz	HDCCPXXMRCVBNK-WDEREUQCSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H]1CC(C)=CC[C@]12CCCC2=O	39112240	167675586	/nfs/dbraw/zinc/67/55/86/167675586.db2.gz	CETJGHKROKBFLC-WCQYABFASA-N	0	0	192.302	3.492	10	0		AGAERN
CC[C@H]1C=NC(CC)(CC)S1	33878776	167675972	/nfs/dbraw/zinc/67/59/72/167675972.db2.gz	XDKQRSMUECEDPF-QMMMGPOBSA-N	0	0	171.309	3.099	10	0		AGAERN
CC[C@H]1CC(=O)c2cc(Cl)ccc21	41206911	167676535	/nfs/dbraw/zinc/67/65/35/167676535.db2.gz	PUPSOUXRYJYSNI-ZETCQYMHSA-N	0	0	194.661	3.420	10	0		AGAERN
CC[C@H]1CCCc2ccccc2[C@@H]1O	44470064	167681621	/nfs/dbraw/zinc/68/16/21/167681621.db2.gz	UDSYLDZXJKCKGK-GXFFZTMASA-N	0	0	190.286	3.083	10	0		AGAERN
CC[C@H]1CCC[C@H]1CC	88242677	167683682	/nfs/dbraw/zinc/68/36/82/167683682.db2.gz	JKMYLSLBFNMSFP-DTORHVGOSA-N	0	0	126.243	3.223	10	0		AGAERN
CC[C@H]1CCC[C@@]1(O)c1ccccc1	8079344	167683942	/nfs/dbraw/zinc/68/39/42/167683942.db2.gz	DIVGXFIVLYBUCF-AAEUAGOBSA-N	0	0	190.286	3.084	10	0		AGAERN
CC[C@H]1CNc2c(Cl)cccc2C1	11987442	167694888	/nfs/dbraw/zinc/69/48/88/167694888.db2.gz	VYUNVSRLPFPZBG-MRVPVSSYSA-N	0	0	195.693	3.334	10	0		AGAERN
CC[C@](C)(O)Cc1ccc(C)c(C)c1	49669154	167705432	/nfs/dbraw/zinc/70/54/32/167705432.db2.gz	OTALLBMSDNUPCZ-ZDUSSCGKSA-N	0	0	192.302	3.007	10	0		AGAERN
CC[C@](O)(c1ccccc1)C(C)(C)C	38884999	167708241	/nfs/dbraw/zinc/70/82/41/167708241.db2.gz	VPHFNAIQQKAMSG-ZDUSSCGKSA-N	0	0	192.302	3.330	10	0		AGAERN
CCc1c(Cl)cccc1OC1CC1	95723318	167720024	/nfs/dbraw/zinc/72/00/24/167720024.db2.gz	FAKJGZPPXIPZBC-UHFFFAOYSA-N	0	0	196.677	3.444	10	0		AGAERN
CCc1c(O)cccc1OC(C)(C)C	95711051	167720232	/nfs/dbraw/zinc/72/02/32/167720232.db2.gz	KICROQWFCBZWHV-UHFFFAOYSA-N	0	0	194.274	3.132	10	0		AGAERN
CCc1cc(Cl)cc(OC2CC2)c1	95713199	167725775	/nfs/dbraw/zinc/72/57/75/167725775.db2.gz	JHDKLDCWDPBNKX-UHFFFAOYSA-N	0	0	196.677	3.444	10	0		AGAERN
CCc1cc(Cl)nc([C@@H](C)CC)n1	51690408	167725795	/nfs/dbraw/zinc/72/57/95/167725795.db2.gz	YNZNXLXBHCKFLT-ZETCQYMHSA-N	0	0	198.697	3.206	10	0		AGAERN
CCc1ccc(-c2cccc(N)c2)cc1	20390979	167730054	/nfs/dbraw/zinc/73/00/54/167730054.db2.gz	AESIPYAXUICDFV-UHFFFAOYSA-N	0	0	197.281	3.498	10	0		AGAERN
CCc1cc2ccnc(C)c2s1	39123446	167730488	/nfs/dbraw/zinc/73/04/88/167730488.db2.gz	ONAKYSPKMAJEAZ-UHFFFAOYSA-N	0	0	177.272	3.167	10	0		AGAERN
CCc1ccc(-c2ccccc2N)o1	51728372	167730805	/nfs/dbraw/zinc/73/08/05/167730805.db2.gz	IHFRIVWCJHZHRT-UHFFFAOYSA-N	0	0	187.242	3.091	10	0		AGAERN
CCc1cc2ccc(OC)cc2o1	115753041	167731385	/nfs/dbraw/zinc/73/13/85/167731385.db2.gz	DSLWVYYNXWAYRS-UHFFFAOYSA-N	0	0	176.215	3.004	10	0		AGAERN
CCc1ccc(C(C)(C)C)cc1O	95711166	167731505	/nfs/dbraw/zinc/73/15/05/167731505.db2.gz	HGRCISIKHNPQEE-UHFFFAOYSA-N	0	0	178.275	3.252	10	0		AGAERN
CCc1ccc(C(C)(C)C(C)=O)cc1	71500789	167731703	/nfs/dbraw/zinc/73/17/03/167731703.db2.gz	KOGKIVURKSNEBO-UHFFFAOYSA-N	0	0	190.286	3.116	10	0		AGAERN
CCc1ccc(C(=O)C(CC)CC)o1	51726255	167732537	/nfs/dbraw/zinc/73/25/37/167732537.db2.gz	ICUJJBYAZWQXHJ-UHFFFAOYSA-N	0	0	194.274	3.461	10	0		AGAERN
CCc1ccc(OC2CC2)cc1C	95724231	167740395	/nfs/dbraw/zinc/74/03/95/167740395.db2.gz	FXCVWWVYPNFBEB-UHFFFAOYSA-N	0	0	176.259	3.099	10	0		AGAERN
CCc1ccc(OC2CC2)c(C)c1	95722261	167740865	/nfs/dbraw/zinc/74/08/65/167740865.db2.gz	FAWNSRXWZNUPOC-UHFFFAOYSA-N	0	0	176.259	3.099	10	0		AGAERN
CCc1ccc([C@@H]2CCC(=O)C2)cc1	32008052	167741369	/nfs/dbraw/zinc/74/13/69/167741369.db2.gz	SCRFRIHOFUXEBN-GFCCVEGCSA-N	0	0	188.270	3.086	10	0		AGAERN
CCc1ccc([C@H](O)C(C)(C)C)s1	40451652	167741977	/nfs/dbraw/zinc/74/19/77/167741977.db2.gz	XGJGVQHGPIHNIP-JTQLQIEISA-N	0	0	198.331	3.390	10	0		AGAERN
CCc1ccc([C@H](O)C2CCC2)cc1	36156576	167742367	/nfs/dbraw/zinc/74/23/67/167742367.db2.gz	DCBIIQXKBOFVJG-CYBMUJFWSA-N	0	0	190.286	3.083	10	0		AGAERN
CCc1ccc([C@H](O)C2CCC2)s1	40242792	167742865	/nfs/dbraw/zinc/74/28/65/167742865.db2.gz	VTVLNXNLYWRELV-LLVKDONJSA-N	0	0	196.315	3.144	10	0		AGAERN
CCc1ccc2c(c1)C[C@@H](C(C)C)N2	71484647	167744289	/nfs/dbraw/zinc/74/42/89/167744289.db2.gz	ONDKGSAVTOICNH-ZDUSSCGKSA-N	0	0	189.302	3.242	10	0		AGAERN
CCc1ccc2c(c1)C(=O)C[C@H]2CC	41204228	167744292	/nfs/dbraw/zinc/74/42/92/167744292.db2.gz	IBMNTDKSQXNMJX-SNVBAGLBSA-N	0	0	188.270	3.329	10	0		AGAERN
CCc1ccc([C@H]2C[C@@H]2C(C)=O)s1	51716757	167744857	/nfs/dbraw/zinc/74/48/57/167744857.db2.gz	NUSGYXKUKFRQJE-ZJUUUORDSA-N	0	0	194.299	3.003	10	0		AGAERN
CCc1ccc([C@H]2CCCO2)cc1	49805351	167744867	/nfs/dbraw/zinc/74/48/67/167744867.db2.gz	UYUOMNYIITUULR-GFCCVEGCSA-N	0	0	176.259	3.101	10	0		AGAERN
CCc1ccc([C@H]2CCC(=O)C2)cc1	32008054	167745397	/nfs/dbraw/zinc/74/53/97/167745397.db2.gz	SCRFRIHOFUXEBN-LBPRGKRZSA-N	0	0	188.270	3.086	10	0		AGAERN
CCc1ccc2c(c1)C[C@H](CC)CN2	11633265	167745479	/nfs/dbraw/zinc/74/54/79/167745479.db2.gz	RFMYILMLPKFVHR-NSHDSACASA-N	0	0	189.302	3.243	10	0		AGAERN
CCc1ccc2c(c1)C=C[C@H](C)N2	71479793	167745575	/nfs/dbraw/zinc/74/55/75/167745575.db2.gz	VWXDSEBENIPUNQ-VIFPVBQESA-N	0	0	173.259	3.076	10	0		AGAERN
CCc1ccc2c(c1)[C@H](CC)CN2	59341701	167747289	/nfs/dbraw/zinc/74/72/89/167747289.db2.gz	KCDWRODVIYAHIE-SNVBAGLBSA-N	0	0	175.275	3.168	10	0		AGAERN
CCc1ccc2c(c1)c(C)cn2C	82587723	167747300	/nfs/dbraw/zinc/74/73/00/167747300.db2.gz	RDMUVPQRPABMET-UHFFFAOYSA-N	0	0	173.259	3.049	10	0		AGAERN
CCc1ccc2ccc(C)c(O)c2c1	71489872	167748553	/nfs/dbraw/zinc/74/85/53/167748553.db2.gz	FCBWVSGSGAFMDN-UHFFFAOYSA-N	0	0	186.254	3.416	10	0		AGAERN
CCc1cccc([C@H](C)CC)c1O	28766697	167749848	/nfs/dbraw/zinc/74/98/48/167749848.db2.gz	WKMUONDKNHDXME-SECBINFHSA-N	0	0	178.275	3.468	10	0		AGAERN
CCc1cccc([C@@H](C)CC)c1O	28766698	167750113	/nfs/dbraw/zinc/75/01/13/167750113.db2.gz	WKMUONDKNHDXME-VIFPVBQESA-N	0	0	178.275	3.468	10	0		AGAERN
CCc1cccc(CC)c1OC1CC1	95721323	167750418	/nfs/dbraw/zinc/75/04/18/167750418.db2.gz	ZVLNJVJVPIIOPM-UHFFFAOYSA-N	0	0	190.286	3.353	10	0		AGAERN
CCc1cccc(NC2CCC2)c1	44480144	167750681	/nfs/dbraw/zinc/75/06/81/167750681.db2.gz	CNCSLFIFFCLKCV-UHFFFAOYSA-N	0	0	175.275	3.213	10	0		AGAERN
CCc1cccc(O)c1C(C)C	95711287	167750688	/nfs/dbraw/zinc/75/06/88/167750688.db2.gz	DUOPRVDPEYKWEU-UHFFFAOYSA-N	0	0	164.248	3.078	10	0		AGAERN
CCc1cccc(OC2CC2)c1CC	95725104	167751023	/nfs/dbraw/zinc/75/10/23/167751023.db2.gz	LLDDOJKUIMVCJE-UHFFFAOYSA-N	0	0	190.286	3.353	10	0		AGAERN
CCc1cccc(O)c1C(C)(C)C	95711285	167751262	/nfs/dbraw/zinc/75/12/62/167751262.db2.gz	GSFOWNSVWOLXLJ-UHFFFAOYSA-N	0	0	178.275	3.252	10	0		AGAERN
CCc1cccc2c1NC[C@@H](CC)C2	11633263	167751610	/nfs/dbraw/zinc/75/16/10/167751610.db2.gz	NFPXRKZPSSFRES-JTQLQIEISA-N	0	0	189.302	3.243	10	0		AGAERN
CCc1ccsc1C(C)C	33952130	167754975	/nfs/dbraw/zinc/75/49/75/167754975.db2.gz	HONRDROYMONIRN-UHFFFAOYSA-N	0	0	154.278	3.434	10	0		AGAERN
CCc1cnc2c(C)ccc(C)c2c1	49806010	167756965	/nfs/dbraw/zinc/75/69/65/167756965.db2.gz	RCLOZXOEXYKSNI-UHFFFAOYSA-N	0	0	185.270	3.414	10	0		AGAERN
CCc1cnc2ccc(C)cc2c1	39641952	167757096	/nfs/dbraw/zinc/75/70/96/167757096.db2.gz	MGLCIAALSCSKDL-UHFFFAOYSA-N	0	0	171.243	3.106	10	0		AGAERN
CCc1cnccc1C[Si](C)(C)C	195914953	167758195	/nfs/dbraw/zinc/75/81/95/167758195.db2.gz	VWBRPUCWLTUQED-UHFFFAOYSA-N	0	0	193.366	3.064	10	0		AGAERN
CCc1csc(N[C@H](C)C(C)C)n1	61894375	167759743	/nfs/dbraw/zinc/75/97/43/167759743.db2.gz	RZXHVFQZWDUWOQ-MRVPVSSYSA-N	0	0	198.335	3.162	10	0		AGAERN
CCc1nc(NC(C)(C)C)sc1C	61714620	167770889	/nfs/dbraw/zinc/77/08/89/167770889.db2.gz	MPYLTLWCUCCRDF-UHFFFAOYSA-N	0	0	198.335	3.224	10	0		AGAERN
CCc1nc2c(C)cc(C)cc2o1	62498599	167773509	/nfs/dbraw/zinc/77/35/09/167773509.db2.gz	DOUPEDISUXGIQV-UHFFFAOYSA-N	0	0	175.231	3.007	10	0		AGAERN
CCc1nc2cc(C)c(C)cc2o1	62498594	167773634	/nfs/dbraw/zinc/77/36/34/167773634.db2.gz	BVIMFQXHALODRV-UHFFFAOYSA-N	0	0	175.231	3.007	10	0		AGAERN
CCc1nc2cc(C)c(Cl)cc2o1	62522077	167774883	/nfs/dbraw/zinc/77/48/83/167774883.db2.gz	LPLLMGYHZQVZDR-UHFFFAOYSA-N	0	0	195.649	3.352	10	0		AGAERN
CCc1nc2cc(Cl)cc(C)c2o1	62522075	167776062	/nfs/dbraw/zinc/77/60/62/167776062.db2.gz	GFXGYOHVBFWXAM-UHFFFAOYSA-N	0	0	195.649	3.352	10	0		AGAERN
CCc1nc2ccc(C)c(C)c2o1	62498598	167777339	/nfs/dbraw/zinc/77/73/39/167777339.db2.gz	IRXFIBFCSGZHIY-UHFFFAOYSA-N	0	0	175.231	3.007	10	0		AGAERN
CCc1nc2ccccc2n1C(C)C	572609	167777564	/nfs/dbraw/zinc/77/75/64/167777564.db2.gz	FVLKWIAACXOKHN-UHFFFAOYSA-N	0	0	188.274	3.180	10	0		AGAERN
CCc1oc(C(C)C)cc1C	39103136	167791494	/nfs/dbraw/zinc/79/14/94/167791494.db2.gz	VGOBIXIMECPCRE-UHFFFAOYSA-N	0	0	152.237	3.274	10	0		AGAERN
CCc1oc2c3c1CC[C@H]3CCC2	38760673	167791893	/nfs/dbraw/zinc/79/18/93/167791893.db2.gz	FGOPQPTWNGQNFI-MRVPVSSYSA-N	0	0	176.259	3.208	10	0		AGAERN
CCc1sccc1C(C)C	33952115	167795440	/nfs/dbraw/zinc/79/54/40/167795440.db2.gz	HXRWZSPVRGLMOF-UHFFFAOYSA-N	0	0	154.278	3.434	10	0		AGAERN
CCn1c(=S)sc2ccccc21	5328239	167795798	/nfs/dbraw/zinc/79/57/98/167795798.db2.gz	HNQNFZRNOJJPFM-UHFFFAOYSA-N	0	0	195.312	3.452	10	0		AGAERN
CN(C)c1ccc(-c2ccco2)cc1	36437082	167854014	/nfs/dbraw/zinc/85/40/14/167854014.db2.gz	WAYYNBUKWMFGLX-UHFFFAOYSA-N	0	0	187.242	3.013	10	0		AGAERN
CNc1c(C)ccc2ccccc12	71445838	168062524	/nfs/dbraw/zinc/06/25/24/168062524.db2.gz	MECUQNPRIJUNEI-UHFFFAOYSA-N	0	0	171.243	3.190	10	0		AGAERN
CNc1c(C)c(Cl)cc(C)c1OC	71457092	168062585	/nfs/dbraw/zinc/06/25/85/168062585.db2.gz	PTJHRZUFOCOKCR-UHFFFAOYSA-N	0	0	199.681	3.007	10	0		AGAERN
CNc1c(C)cccc1C(C)C	32006246	168062636	/nfs/dbraw/zinc/06/26/36/168062636.db2.gz	VLKJRCKDIQTYDX-UHFFFAOYSA-N	0	0	163.264	3.160	10	0		AGAERN
CNc1cc(C(C)(C)C)ccc1C	71456274	168062965	/nfs/dbraw/zinc/06/29/65/168062965.db2.gz	OJXGLBWJJJMQIW-UHFFFAOYSA-N	0	0	177.291	3.334	10	0		AGAERN
CNc1c(C)cc(OC(C)C)cc1C	71456930	168063053	/nfs/dbraw/zinc/06/30/53/168063053.db2.gz	QNIVSZAOLHOXRT-UHFFFAOYSA-N	0	0	193.290	3.132	10	0		AGAERN
CNc1c(OC)cc(C)c(Cl)c1C	71454958	168063369	/nfs/dbraw/zinc/06/33/69/168063369.db2.gz	KHYHBOHHINKNEF-UHFFFAOYSA-N	0	0	199.681	3.007	10	0		AGAERN
CNc1cc(C(C)C)c(OC)cc1C	62521944	168063586	/nfs/dbraw/zinc/06/35/86/168063586.db2.gz	QYTSGFJDDCZQRN-UHFFFAOYSA-N	0	0	193.290	3.169	10	0		AGAERN
CNc1cc(Cl)cc(C(C)C)c1O	71455801	168064876	/nfs/dbraw/zinc/06/48/76/168064876.db2.gz	YQXNSLJOQZLLNV-UHFFFAOYSA-N	0	0	199.681	3.211	10	0		AGAERN
CNc1cc(C)cc2ccccc12	39119034	168064959	/nfs/dbraw/zinc/06/49/59/168064959.db2.gz	MPZBTWOMRYDUGX-UHFFFAOYSA-N	0	0	171.243	3.190	10	0		AGAERN
CNc1cc(Cl)ccc1OC(C)C	71451464	168065504	/nfs/dbraw/zinc/06/55/04/168065504.db2.gz	AEIWOVKIIHRYDI-UHFFFAOYSA-N	0	0	199.681	3.169	10	0		AGAERN
CNc1ccc(OCC(C)C)cc1C	71453501	168066102	/nfs/dbraw/zinc/06/61/02/168066102.db2.gz	YWDFKVGWUXXAMP-UHFFFAOYSA-N	0	0	193.290	3.072	10	0		AGAERN
CNc1ccc(OC)c(C(C)(C)C)c1	71453417	168066111	/nfs/dbraw/zinc/06/61/11/168066111.db2.gz	CMNUUTLBWIAUOF-UHFFFAOYSA-N	0	0	193.290	3.034	10	0		AGAERN
CNc1cccc(C(F)F)c1Cl	307134887	168066263	/nfs/dbraw/zinc/06/62/63/168066263.db2.gz	PAAHJRIKAFZRKM-UHFFFAOYSA-N	0	0	191.608	3.319	10	0		AGAERN
CNc1ccc(OC(C)(C)C)cc1C	82710761	168066327	/nfs/dbraw/zinc/06/63/27/168066327.db2.gz	PQDBQEUUTYMVGL-UHFFFAOYSA-N	0	0	193.290	3.214	10	0		AGAERN
CNc1ccc(OC(C)C)c(C)c1C	71456681	168066496	/nfs/dbraw/zinc/06/64/96/168066496.db2.gz	DZJMLGXDUDWVHV-UHFFFAOYSA-N	0	0	193.290	3.132	10	0		AGAERN
CNc1ccc(OC2CCCC2)cc1	33421528	168066957	/nfs/dbraw/zinc/06/69/57/168066957.db2.gz	BBIRNHVXTONUNK-UHFFFAOYSA-N	0	0	191.274	3.050	10	0		AGAERN
CNc1ccc(OCC=C(C)C)cc1	38056631	168067229	/nfs/dbraw/zinc/06/72/29/168067229.db2.gz	OHQPHMGUYWWBMJ-UHFFFAOYSA-N	0	0	191.274	3.073	10	0		AGAERN
CNc1ccc(SC(C)C)cc1	71454112	168067498	/nfs/dbraw/zinc/06/74/98/168067498.db2.gz	PRJWAKSXZDMJLX-UHFFFAOYSA-N	0	0	181.304	3.229	10	0		AGAERN
CNc1ccccc1SC(F)F	20044100	168069166	/nfs/dbraw/zinc/06/91/66/168069166.db2.gz	WZBRAKUPBBIIFN-UHFFFAOYSA-N	0	0	189.230	3.043	10	0		AGAERN
CO/C=C/C=C1CCCCC1	104837302	168073940	/nfs/dbraw/zinc/07/39/40/168073940.db2.gz	HXOAUAUVDORWAY-WEVVVXLNSA-N	0	0	152.237	3.037	10	0		AGAERN
CO/C=C/c1ccc2ccccc2c1	70632451	168075020	/nfs/dbraw/zinc/07/50/20/168075020.db2.gz	SFAOTHCRMCFOKF-CMDGGOBGSA-N	0	0	184.238	3.457	10	0		AGAERN
COC(=N)c1cc(C(C)C)ccc1C	77276387	168077143	/nfs/dbraw/zinc/07/71/43/168077143.db2.gz	HTVHSLZCXGERMW-UHFFFAOYSA-N	0	0	191.274	3.090	10	0		AGAERN
COC(=O)C1CCC(C(C)(C)C)CC1	32175710	168083508	/nfs/dbraw/zinc/08/35/08/168083508.db2.gz	BWJSSYBIZVGKBG-UHFFFAOYSA-N	0	0	198.306	3.012	10	0		AGAERN
Fc1cccc(Cl)c1NC1CCC1	135246012	343957940	/nfs/dbraw/zinc/95/79/40/343957940.db2.gz	ADETYWGJQHFTIP-UHFFFAOYSA-N	0	0	199.656	3.444	10	0		AGAERN
Cc1cccc(F)c1N[C@@H](C)C1CC1	135234194	343957968	/nfs/dbraw/zinc/95/79/68/343957968.db2.gz	QRISLCFMXCOWBQ-VIFPVBQESA-N	0	0	193.265	3.345	10	0		AGAERN
COC(C)(C)C1CCCCCC1	33611307	168139131	/nfs/dbraw/zinc/13/91/31/168139131.db2.gz	SGSKWKGPQDARMQ-UHFFFAOYSA-N	0	0	170.296	3.382	10	0		AGAERN
COC(C[C@H](C)CC(C)(C)C)OC	6020405	168140610	/nfs/dbraw/zinc/14/06/10/168140610.db2.gz	OKMANJUJOSTZGX-VIFPVBQESA-N	0	0	188.311	3.068	10	0		AGAERN
COC(C[C@@H](C)CC(C)(C)C)OC	6036146	168140861	/nfs/dbraw/zinc/14/08/61/168140861.db2.gz	OKMANJUJOSTZGX-SECBINFHSA-N	0	0	188.311	3.068	10	0		AGAERN
COC/C=C(/C)CCC=C(C)C	15120481	168142340	/nfs/dbraw/zinc/14/23/40/168142340.db2.gz	AVJMJMPVWWWELJ-FLIBITNWSA-N	0	0	168.280	3.326	10	0		AGAERN
COC(OC)c1ccc(C(C)C)cc1	5761587	168142546	/nfs/dbraw/zinc/14/25/46/168142546.db2.gz	MKTYGYDXBXBRFK-UHFFFAOYSA-N	0	0	194.274	3.101	10	0		AGAERN
COC/C=C(\C)CCC=C(C)C	1841152	168142559	/nfs/dbraw/zinc/14/25/59/168142559.db2.gz	AVJMJMPVWWWELJ-DHZHZOJOSA-N	0	0	168.280	3.326	10	0		AGAERN
COCC[C@H](C)CCCC(C)C	33610949	168172962	/nfs/dbraw/zinc/17/29/62/168172962.db2.gz	XBFMCXPIVMBHAL-LLVKDONJSA-N	0	0	172.312	3.485	10	0		AGAERN
COCC[C@@H](C)CCCC(C)C	33610948	168173293	/nfs/dbraw/zinc/17/32/93/168173293.db2.gz	XBFMCXPIVMBHAL-NSHDSACASA-N	0	0	172.312	3.485	10	0		AGAERN
COCCc1cc2ccccc2s1	96034792	168175043	/nfs/dbraw/zinc/17/50/43/168175043.db2.gz	DEQZFCOASIRLSC-UHFFFAOYSA-N	0	0	192.283	3.090	10	0		AGAERN
CO[C@@H](C)c1nc(C)c(C(C)C)s1	335454030	168203799	/nfs/dbraw/zinc/20/37/99/168203799.db2.gz	CEDQMYKYAZPLDS-QMMMGPOBSA-N	0	0	199.319	3.282	10	0		AGAERN
CO[C@@H](C)c1nc(C2CC2)c(C)s1	307173738	168203850	/nfs/dbraw/zinc/20/38/50/168203850.db2.gz	CYDBCQRQKATVMB-LURJTMIESA-N	0	0	197.303	3.036	10	0		AGAERN
CO[C@@H](C)c1nc2ccccc2s1	45236719	168204868	/nfs/dbraw/zinc/20/48/68/168204868.db2.gz	MABGDBXSOISORR-ZETCQYMHSA-N	0	0	193.271	3.004	10	0		AGAERN
CO[C@@H]1CC(C)=CC[C@H]1C(C)C	39104280	168206012	/nfs/dbraw/zinc/20/60/12/168206012.db2.gz	KQFDNCQZXUTSPC-WDEREUQCSA-N	0	0	168.280	3.014	10	0		AGAERN
CO[C@@H]1CCCC(C)=C1C(C)C	39104296	168206436	/nfs/dbraw/zinc/20/64/36/168206436.db2.gz	MQICFKPMGHJERU-SNVBAGLBSA-N	0	0	168.280	3.158	10	0		AGAERN
CO[C@@H]1C[C@@H](C(C)C)CC=C1C	39104298	168209505	/nfs/dbraw/zinc/20/95/05/168209505.db2.gz	NMNRQSITLBEMHI-WDEREUQCSA-N	0	0	168.280	3.014	10	0		AGAERN
CO[C@H](C)C1=Cc2ccccc2[C@H]1C	104834689	168213335	/nfs/dbraw/zinc/21/33/35/168213335.db2.gz	YXYWTKWHBHASSA-NXEZZACHSA-N	0	0	188.270	3.222	10	0		AGAERN
CO[C@H](C)C1=Cc2ccccc2[C@@H]1C	104834691	168214076	/nfs/dbraw/zinc/21/40/76/168214076.db2.gz	YXYWTKWHBHASSA-VHSXEESVSA-N	0	0	188.270	3.222	10	0		AGAERN
CO[C@H](C)c1nc2ccccc2s1	45236721	168214376	/nfs/dbraw/zinc/21/43/76/168214376.db2.gz	MABGDBXSOISORR-SSDOTTSWSA-N	0	0	193.271	3.004	10	0		AGAERN
CO[C@H](C)c1nc(C2CC2)c(C)s1	307173739	168214406	/nfs/dbraw/zinc/21/44/06/168214406.db2.gz	CYDBCQRQKATVMB-ZCFIWIBFSA-N	0	0	197.303	3.036	10	0		AGAERN
CO[C@H](C)c1nc(C)c(C(C)C)s1	335454027	168214469	/nfs/dbraw/zinc/21/44/69/168214469.db2.gz	CEDQMYKYAZPLDS-MRVPVSSYSA-N	0	0	199.319	3.282	10	0		AGAERN
CO[C@H]1CCCC(C)=C1C(C)C	39104297	168215725	/nfs/dbraw/zinc/21/57/25/168215725.db2.gz	MQICFKPMGHJERU-JTQLQIEISA-N	0	0	168.280	3.158	10	0		AGAERN
CO[C@H]1C[C@@H](C)CC[C@@H]1C(C)C	8613255	168218690	/nfs/dbraw/zinc/21/86/90/168218690.db2.gz	JDGJLPHFRJNJMN-AXFHLTTASA-N	0	0	170.296	3.094	10	0	endogenous,in-man	AGAERN
CO[C@H]1C[C@@H](C(C)C)CC=C1C	39104299	168218957	/nfs/dbraw/zinc/21/89/57/168218957.db2.gz	NMNRQSITLBEMHI-QWRGUYRKSA-N	0	0	168.280	3.014	10	0		AGAERN
CO[C@]1(C)C=C[C@H](C(C)C)CC1	39104301	168221711	/nfs/dbraw/zinc/22/17/11/168221711.db2.gz	DGCBFUPLYBLMGB-WDEREUQCSA-N	0	0	168.280	3.014	10	0		AGAERN
CO[C@]1(C)C=C[C@@H](C(C)C)CC1	39104300	168222136	/nfs/dbraw/zinc/22/21/36/168222136.db2.gz	DGCBFUPLYBLMGB-GHMZBOCLSA-N	0	0	168.280	3.014	10	0		AGAERN
COc1c(C)cc(C)cc1NC(C)C	82588774	168222888	/nfs/dbraw/zinc/22/28/88/168222888.db2.gz	DQBHLMAVZWZEIL-UHFFFAOYSA-N	0	0	193.290	3.132	10	0		AGAERN
COc1c(C(C)C)ccc2cc[nH]c12	44185046	168223369	/nfs/dbraw/zinc/22/33/69/168223369.db2.gz	DHWVFZUJBMMLAN-UHFFFAOYSA-N	0	0	189.258	3.300	10	0		AGAERN
COc1c(C)cc2oc(C)cc2c1C	90515579	168223671	/nfs/dbraw/zinc/22/36/71/168223671.db2.gz	SKLVIBJIWCLGFB-UHFFFAOYSA-N	0	0	190.242	3.367	10	0		AGAERN
COc1c(C)cc(Cl)cc1Cl	32220356	168223857	/nfs/dbraw/zinc/22/38/57/168223857.db2.gz	RVWKDYUWMPCPDS-UHFFFAOYSA-N	0	0	191.057	3.310	10	0		AGAERN
COc1c(O)cc(C)cc1C(C)(C)C	71464214	168227786	/nfs/dbraw/zinc/22/77/86/168227786.db2.gz	KIMXGZLDJDYTNE-UHFFFAOYSA-N	0	0	194.274	3.007	10	0		AGAERN
COc1cc(C(C)C)ccc1C(C)=O	71506115	168228396	/nfs/dbraw/zinc/22/83/96/168228396.db2.gz	OECZFPSFFGYZJX-UHFFFAOYSA-N	0	0	192.258	3.021	10	0		AGAERN
COc1cc(C(C)C)c(OC)cc1C	12153360	168228460	/nfs/dbraw/zinc/22/84/60/168228460.db2.gz	VTRMVHBUTNPBTP-UHFFFAOYSA-N	0	0	194.274	3.136	10	0		AGAERN
COc1cc(C)c(C)cc1NC(C)C	82588769	168229342	/nfs/dbraw/zinc/22/93/42/168229342.db2.gz	ZLNPPYSATJSYSY-UHFFFAOYSA-N	0	0	193.290	3.132	10	0		AGAERN
COc1cc(C)cc2c(C)c(C)[nH]c12	82588294	168229857	/nfs/dbraw/zinc/22/98/57/168229857.db2.gz	VLXFLSGXRYRSSO-UHFFFAOYSA-N	0	0	189.258	3.102	10	0		AGAERN
COc1cc(C)cc(C(C)C)c1	39103968	168229992	/nfs/dbraw/zinc/22/99/92/168229992.db2.gz	SNBUMPJLHQPLII-UHFFFAOYSA-N	0	0	164.248	3.127	10	0		AGAERN
COc1cc(C)cc2ccccc12	34085739	168230086	/nfs/dbraw/zinc/23/00/86/168230086.db2.gz	CTKKMNJQJKRSSA-UHFFFAOYSA-N	0	0	172.227	3.157	10	0		AGAERN
COc1cc(C)c2[nH]c(C)c(C)c2c1	82588295	168230313	/nfs/dbraw/zinc/23/03/13/168230313.db2.gz	GQAPXPFPQVDPJK-UHFFFAOYSA-N	0	0	189.258	3.102	10	0		AGAERN
COc1cc(C)cc(C(C)(C)C)c1	6069922	168230434	/nfs/dbraw/zinc/23/04/34/168230434.db2.gz	SIRJAAYBSCHVTB-UHFFFAOYSA-N	0	0	178.275	3.301	10	0		AGAERN
COc1cc(C)c(O)cc1C(C)(C)C	36200809	168231101	/nfs/dbraw/zinc/23/11/01/168231101.db2.gz	BREHHQAGWXWAKH-UHFFFAOYSA-N	0	0	194.274	3.007	10	0		AGAERN
COc1cc(C)cc(C)c1NC(C)C	82588776	168231270	/nfs/dbraw/zinc/23/12/70/168231270.db2.gz	LEOGIEYUTDYQEZ-UHFFFAOYSA-N	0	0	193.290	3.132	10	0		AGAERN
COc1cc(C)c(NC(C)C)cc1C	82588770	168231295	/nfs/dbraw/zinc/23/12/95/168231295.db2.gz	VBATVSBXPSBQPW-UHFFFAOYSA-N	0	0	193.290	3.132	10	0		AGAERN
COc1cc(Cl)c2occc2c1	95775397	168234176	/nfs/dbraw/zinc/23/41/76/168234176.db2.gz	XAHWYXUSYMFXDB-UHFFFAOYSA-N	0	0	182.606	3.095	10	0		AGAERN
COc1cc2cc(C)[nH]c2cc1Cl	34489863	168240306	/nfs/dbraw/zinc/24/03/06/168240306.db2.gz	DRIAHZAFWGCRKY-UHFFFAOYSA-N	0	0	195.649	3.138	10	0		AGAERN
COc1cc2ccoc2c(C)c1C	14447767	168242104	/nfs/dbraw/zinc/24/21/04/168242104.db2.gz	SBBBDZXLODAOJW-UHFFFAOYSA-N	0	0	176.215	3.058	10	0		AGAERN
COc1ccc(-c2ccc(C)nc2)cc1	77922291	168242864	/nfs/dbraw/zinc/24/28/64/168242864.db2.gz	TUPACPDWSRLGRC-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
COc1ccc(-c2ccco2)c(C)c1	90529941	168243547	/nfs/dbraw/zinc/24/35/47/168243547.db2.gz	OUTPCYXPCKDHPG-UHFFFAOYSA-N	0	0	188.226	3.264	10	0		AGAERN
COc1ccc(/C=C\SC)cc1	33347699	168243864	/nfs/dbraw/zinc/24/38/64/168243864.db2.gz	PQRBGLYZJRHKSB-FPLPWBNLSA-N	0	0	180.272	3.029	10	0		AGAERN
COc1ccc(/C=C/SC)cc1	2074622	168244194	/nfs/dbraw/zinc/24/41/94/168244194.db2.gz	PQRBGLYZJRHKSB-BQYQJAHWSA-N	0	0	180.272	3.029	10	0		AGAERN
COc1ccc(C(C)C)cc1C(C)=O	24549927	168245633	/nfs/dbraw/zinc/24/56/33/168245633.db2.gz	VSUMISAKJYIJBA-UHFFFAOYSA-N	0	0	192.258	3.021	10	0		AGAERN
COc1ccc(C(=O)C2CCC2)cc1	100242668	168245653	/nfs/dbraw/zinc/24/56/53/168245653.db2.gz	SDFBYNZQUNQXOR-UHFFFAOYSA-N	0	0	190.242	3.148	10	0		AGAERN
COc1ccc(C(C)C)cc1Cl	75838908	168245853	/nfs/dbraw/zinc/24/58/53/168245853.db2.gz	LGMHCPVMVOAOBP-UHFFFAOYSA-N	0	0	184.666	3.472	10	0		AGAERN
COc1ccc(C)c2c(C)c(C)[nH]c12	82588296	168245989	/nfs/dbraw/zinc/24/59/89/168245989.db2.gz	KHUOCSOXZMCTPS-UHFFFAOYSA-N	0	0	189.258	3.102	10	0		AGAERN
COc1ccc(C)c2ccc(C)cc12	39119972	168246332	/nfs/dbraw/zinc/24/63/32/168246332.db2.gz	QUPNYHNEUVWTQH-UHFFFAOYSA-N	0	0	186.254	3.465	10	0		AGAERN
COc1ccc(C(C)=O)c(C(C)C)c1	36202097	168246514	/nfs/dbraw/zinc/24/65/14/168246514.db2.gz	VESJRIIWXFDUMU-UHFFFAOYSA-N	0	0	192.258	3.021	10	0		AGAERN
COc1ccc(C2CCCC2)c(F)c1	75840455	168247050	/nfs/dbraw/zinc/24/70/50/168247050.db2.gz	YGQHZPDVIAHFPQ-UHFFFAOYSA-N	0	0	194.249	3.492	10	0		AGAERN
COc1ccc(C2CCCC2)cc1	34589278	168247818	/nfs/dbraw/zinc/24/78/18/168247818.db2.gz	IJIVXRMRRUHRNQ-UHFFFAOYSA-N	0	0	176.259	3.353	10	0		AGAERN
COc1ccc(Cl)c2[nH]c(C)cc12	82588946	168251994	/nfs/dbraw/zinc/25/19/94/168251994.db2.gz	SWUOBLBNBLBEAR-UHFFFAOYSA-N	0	0	195.649	3.138	10	0		AGAERN
COc1ccc(Cl)c2c1CCCC2	34724001	168252233	/nfs/dbraw/zinc/25/22/33/168252233.db2.gz	RUPWBOVKLRQAGJ-UHFFFAOYSA-N	0	0	196.677	3.227	10	0		AGAERN
COc1ccc(Cl)c2[nH]cc(C)c12	82588945	168252244	/nfs/dbraw/zinc/25/22/44/168252244.db2.gz	HWYFHDZTMHASMP-UHFFFAOYSA-N	0	0	195.649	3.138	10	0		AGAERN
COc1ccc(Cl)cc1C(C)C	44185038	168252776	/nfs/dbraw/zinc/25/27/76/168252776.db2.gz	VRUJZPUSUHHAJC-UHFFFAOYSA-N	0	0	184.666	3.472	10	0		AGAERN
COc1ccc(F)cc1NC(C)(C)C	82712701	168252948	/nfs/dbraw/zinc/25/29/48/168252948.db2.gz	FFFIKHVIWNKSOL-UHFFFAOYSA-N	0	0	197.253	3.045	10	0		AGAERN
COc1ccc(F)cc1OC(C)(C)C	59796766	168252960	/nfs/dbraw/zinc/25/29/60/168252960.db2.gz	NKIKRHGIYGFQGD-UHFFFAOYSA-N	0	0	198.237	3.012	10	0		AGAERN
COc1ccc(F)c(C2CCCC2)c1	75840452	168252999	/nfs/dbraw/zinc/25/29/99/168252999.db2.gz	VRFHWSZVDCCYLV-UHFFFAOYSA-N	0	0	194.249	3.492	10	0		AGAERN
COc1ccc(NC(C)(C)C)cc1F	82712702	168253985	/nfs/dbraw/zinc/25/39/85/168253985.db2.gz	HXHJVXUXOLIUQJ-UHFFFAOYSA-N	0	0	197.253	3.045	10	0		AGAERN
COc1ccc(NC(C)(C)C)c(F)c1	82712700	168255111	/nfs/dbraw/zinc/25/51/11/168255111.db2.gz	AIAVVTZIRYOZFI-UHFFFAOYSA-N	0	0	197.253	3.045	10	0		AGAERN
COc1ccc(NCC(C)C)cc1C	42350230	168255361	/nfs/dbraw/zinc/25/53/61/168255361.db2.gz	RUGLHHHUHJULJL-UHFFFAOYSA-N	0	0	193.290	3.072	10	0		AGAERN
COc1ccc(NC(C)C)c(C)c1C	82588775	168255402	/nfs/dbraw/zinc/25/54/02/168255402.db2.gz	CYOWUDCKKGPJNZ-UHFFFAOYSA-N	0	0	193.290	3.132	10	0		AGAERN
COc1ccc(NC(C)C)c(Cl)c1	82589058	168255479	/nfs/dbraw/zinc/25/54/79/168255479.db2.gz	CDLOWSRRBLJIDU-UHFFFAOYSA-N	0	0	199.681	3.169	10	0		AGAERN
COc1ccc2cc(C)c(C)cc2c1	39119970	168264747	/nfs/dbraw/zinc/26/47/47/168264747.db2.gz	JWMWUKIKYPGPBD-UHFFFAOYSA-N	0	0	186.254	3.465	10	0		AGAERN
COc1ccc2ccc(=S)oc2c1	32500137	168265041	/nfs/dbraw/zinc/26/50/41/168265041.db2.gz	RUNBXJGVBKGYHH-UHFFFAOYSA-N	0	0	192.239	3.171	10	0		AGAERN
COc1cccc(-c2cccs2)c1	16945853	168266652	/nfs/dbraw/zinc/26/66/52/168266652.db2.gz	JLSBMXUYHUFHTH-UHFFFAOYSA-N	0	0	190.267	3.424	10	0		AGAERN
COc1ccc2cnc(C3CC3)cc2c1	90548347	168266858	/nfs/dbraw/zinc/26/68/58/168266858.db2.gz	BJXRGRFVAKXJAF-UHFFFAOYSA-N	0	0	199.253	3.121	10	0		AGAERN
COc1cccc(C2CCCC2)c1	75840524	168268117	/nfs/dbraw/zinc/26/81/17/168268117.db2.gz	VEQXIZGRYQYZRA-UHFFFAOYSA-N	0	0	176.259	3.353	10	0		AGAERN
COc1cccc2[nH]c(C(F)F)cc12	95930904	168272827	/nfs/dbraw/zinc/27/28/27/168272827.db2.gz	PYOCKRHEKHVFRG-UHFFFAOYSA-N	0	0	197.184	3.114	10	0		AGAERN
COc1cccc2c1CCCC=C2	16083257	168274134	/nfs/dbraw/zinc/27/41/34/168274134.db2.gz	SWRLKKWIDBGQHX-UHFFFAOYSA-N	0	0	174.243	3.045	10	0		AGAERN
CP(C)(=O)/C=C\c1ccccc1	108756386	168290071	/nfs/dbraw/zinc/29/00/71/168290071.db2.gz	RIGYLTGOXMPUQG-HJWRWDBZSA-N	0	0	180.187	3.280	10	0		AGAERN
CSCc1c(F)ccc2cc[nH]c12	89209094	168304730	/nfs/dbraw/zinc/30/47/30/168304730.db2.gz	XMOAUEOOBJRGCB-UHFFFAOYSA-N	0	0	195.262	3.170	10	0		AGAERN
CSCc1c[nH]c2ccccc12	37632750	168304924	/nfs/dbraw/zinc/30/49/24/168304924.db2.gz	FFBFYWOBLJLFBS-UHFFFAOYSA-N	0	0	177.272	3.031	10	0		AGAERN
CSc1cc(C)ccc1OC1CC1	95732632	168308874	/nfs/dbraw/zinc/30/88/74/168308874.db2.gz	RGXGEENHFREITC-UHFFFAOYSA-N	0	0	194.299	3.258	10	0		AGAERN
CSc1cc(O)ccc1C(C)C	95721582	168308928	/nfs/dbraw/zinc/30/89/28/168308928.db2.gz	IFANYXGHCSQNFL-UHFFFAOYSA-N	0	0	182.288	3.238	10	0		AGAERN
CSc1c(C)ncc2ccccc12	15781450	168308981	/nfs/dbraw/zinc/30/89/81/168308981.db2.gz	ZMWSBNHXHBZBFM-UHFFFAOYSA-N	0	0	189.283	3.265	10	0		AGAERN
CSc1cc(O)cc(CC2CC2)c1	95724088	168308983	/nfs/dbraw/zinc/30/89/83/168308983.db2.gz	CXFJPTXFQCKBQK-UHFFFAOYSA-N	0	0	194.299	3.067	10	0		AGAERN
CSc1cc(OC2CC2)ccc1F	95732187	168308995	/nfs/dbraw/zinc/30/89/95/168308995.db2.gz	ANTDWRSLXYZYTM-UHFFFAOYSA-N	0	0	198.262	3.089	10	0		AGAERN
CSc1c(C)cccc1OC1CC1	95732509	168309015	/nfs/dbraw/zinc/30/90/15/168309015.db2.gz	LHMHPIDQPITVEW-UHFFFAOYSA-N	0	0	194.299	3.258	10	0		AGAERN
CSc1cc(OC2CC2)ccc1C	95732178	168309021	/nfs/dbraw/zinc/30/90/21/168309021.db2.gz	GKYGZCXGBHHCHK-UHFFFAOYSA-N	0	0	194.299	3.258	10	0		AGAERN
CSc1cc(C(C)(C)C)ccc1O	95713222	168309118	/nfs/dbraw/zinc/30/91/18/168309118.db2.gz	UPGQKGBMYZWYRB-UHFFFAOYSA-N	0	0	196.315	3.412	10	0		AGAERN
CSc1ccc(-n2cccc2)cc1	1519695	168309281	/nfs/dbraw/zinc/30/92/81/168309281.db2.gz	MCXZWVLBEDRPNO-UHFFFAOYSA-N	0	0	189.283	3.199	10	0		AGAERN
CSc1cc(F)ccc1OC1CC1	95732660	168309374	/nfs/dbraw/zinc/30/93/74/168309374.db2.gz	ZQKQCAXKFOTKIM-UHFFFAOYSA-N	0	0	198.262	3.089	10	0		AGAERN
CSc1cc2ccccc2o1	39136414	168309436	/nfs/dbraw/zinc/30/94/36/168309436.db2.gz	MKJKDWCBQDPXSJ-UHFFFAOYSA-N	0	0	164.229	3.155	10	0		AGAERN
CSc1c(F)cccc1OC1CC1	95732537	168309501	/nfs/dbraw/zinc/30/95/01/168309501.db2.gz	QGYPTCIEPKCCGD-UHFFFAOYSA-N	0	0	198.262	3.089	10	0		AGAERN
CSc1cc(O)ccc1C(C)(C)C	95723009	168309546	/nfs/dbraw/zinc/30/95/46/168309546.db2.gz	PZIUOZRRWOPAOY-UHFFFAOYSA-N	0	0	196.315	3.412	10	0		AGAERN
CSc1cc(O)cc(C(C)C)c1	95712689	168309563	/nfs/dbraw/zinc/30/95/63/168309563.db2.gz	BONIDXYWENDOGO-UHFFFAOYSA-N	0	0	182.288	3.238	10	0		AGAERN
CSc1cc(C(C)C)ccc1O	95712569	168309579	/nfs/dbraw/zinc/30/95/79/168309579.db2.gz	YNLQKLCQBUZFER-UHFFFAOYSA-N	0	0	182.288	3.238	10	0		AGAERN
CSc1c(C)oc2c1CCCC2	104832009	168309635	/nfs/dbraw/zinc/30/96/35/168309635.db2.gz	ZRZZEKHTLNXDNX-UHFFFAOYSA-N	0	0	182.288	3.189	10	0		AGAERN
CSc1cc(O)cc(C(C)(C)C)c1	95722427	168309652	/nfs/dbraw/zinc/30/96/52/168309652.db2.gz	WFGLSCGDLSKLOG-UHFFFAOYSA-N	0	0	196.315	3.412	10	0		AGAERN
CSc1ccc(-c2ccon2)cc1	15442917	168309696	/nfs/dbraw/zinc/30/96/96/168309696.db2.gz	MDKIMFRDKZACGS-UHFFFAOYSA-N	0	0	191.255	3.064	10	0		AGAERN
CSc1cc(F)cc(OC2CC2)c1	95732278	168309847	/nfs/dbraw/zinc/30/98/47/168309847.db2.gz	RMCZDCUOUPKRAA-UHFFFAOYSA-N	0	0	198.262	3.089	10	0		AGAERN
CSc1cc(CC2CC2)ccc1O	95722413	168309865	/nfs/dbraw/zinc/30/98/65/168309865.db2.gz	VPSWGIONMBJVDC-UHFFFAOYSA-N	0	0	194.299	3.067	10	0		AGAERN
CSc1cc(C)cc(OC2CC2)c1	95732149	168309900	/nfs/dbraw/zinc/30/99/00/168309900.db2.gz	OQCHKFGODLENHW-UHFFFAOYSA-N	0	0	194.299	3.258	10	0		AGAERN
CSc1c(O)cccc1C(C)C	95722349	168309926	/nfs/dbraw/zinc/30/99/26/168309926.db2.gz	WWHBXPLQGPVBLE-UHFFFAOYSA-N	0	0	182.288	3.238	10	0		AGAERN
CSc1cc(-c2ccccc2)no1	32137389	168310009	/nfs/dbraw/zinc/31/00/09/168310009.db2.gz	CCUUBLRAMGCOOB-UHFFFAOYSA-N	0	0	191.255	3.064	10	0		AGAERN
CSc1c(O)cccc1CC1CC1	95720230	168310034	/nfs/dbraw/zinc/31/00/34/168310034.db2.gz	UUZWBZZYNXDQDL-UHFFFAOYSA-N	0	0	194.299	3.067	10	0		AGAERN
CSc1ccc(OC2CC2)cc1C	95732983	168310237	/nfs/dbraw/zinc/31/02/37/168310237.db2.gz	ZNPUWXVTKJJWRM-UHFFFAOYSA-N	0	0	194.299	3.258	10	0		AGAERN
CSc1ccc(O)c(CC2CC2)c1	95723979	168310250	/nfs/dbraw/zinc/31/02/50/168310250.db2.gz	RDAVXAJBYGBRLH-UHFFFAOYSA-N	0	0	194.299	3.067	10	0		AGAERN
CSc1ccc(O)cc1CC1CC1	95719820	168310421	/nfs/dbraw/zinc/31/04/21/168310421.db2.gz	PVQWUYQAQUVLFJ-UHFFFAOYSA-N	0	0	194.299	3.067	10	0		AGAERN
CSc1ccc(C)c(OC2CC2)c1	95732310	168310431	/nfs/dbraw/zinc/31/04/31/168310431.db2.gz	SLHHOWHDSOJNMZ-UHFFFAOYSA-N	0	0	194.299	3.258	10	0		AGAERN
CSc1ccc(F)c(OC2CC2)c1	95732317	168310673	/nfs/dbraw/zinc/31/06/73/168310673.db2.gz	NXSYCTRPQVWKEL-UHFFFAOYSA-N	0	0	198.262	3.089	10	0		AGAERN
CSc1ccc(OC2CC2)c(C)c1	95732882	168310716	/nfs/dbraw/zinc/31/07/16/168310716.db2.gz	IBRPYNUNMBLJSK-UHFFFAOYSA-N	0	0	194.299	3.258	10	0		AGAERN
CSc1ccc(CC2CC2)cc1O	95722766	168310732	/nfs/dbraw/zinc/31/07/32/168310732.db2.gz	RLFWZHPMIRIQMY-UHFFFAOYSA-N	0	0	194.299	3.067	10	0		AGAERN
CSc1ccc(C(C)(C)C)cc1O	59372037	168310788	/nfs/dbraw/zinc/31/07/88/168310788.db2.gz	QOJRXQWXRFZDEN-UHFFFAOYSA-N	0	0	196.315	3.412	10	0		AGAERN
CSc1ccc(OC(C)C)cc1	35565027	168310858	/nfs/dbraw/zinc/31/08/58/168310858.db2.gz	PMUWLFOXTCSHIB-UHFFFAOYSA-N	0	0	182.288	3.196	10	0	in-vitro	AGAERN
CSc1ccc(C(C)(C)C)c(O)c1	95724952	168311035	/nfs/dbraw/zinc/31/10/35/168311035.db2.gz	HQXGUVSESXYWGH-UHFFFAOYSA-N	0	0	196.315	3.412	10	0		AGAERN
CSc1ccc(C(C)C)cc1O	95721881	168311056	/nfs/dbraw/zinc/31/10/56/168311056.db2.gz	QNMNKMOUNUSHOZ-UHFFFAOYSA-N	0	0	182.288	3.238	10	0		AGAERN
CSc1ccc(O)cc1C(C)(C)C	95723128	168311074	/nfs/dbraw/zinc/31/10/74/168311074.db2.gz	QIWDTSYPAALJIE-UHFFFAOYSA-N	0	0	196.315	3.412	10	0		AGAERN
CSc1ccc(F)cc1OC1CC1	95732829	168311149	/nfs/dbraw/zinc/31/11/49/168311149.db2.gz	IUODKTOZJJHBTN-UHFFFAOYSA-N	0	0	198.262	3.089	10	0		AGAERN
CSc1ccc(C(C)C)c(O)c1	95724751	168311196	/nfs/dbraw/zinc/31/11/96/168311196.db2.gz	AUBBGYKDVLYSJP-UHFFFAOYSA-N	0	0	182.288	3.238	10	0		AGAERN
CSc1ccc(C)cc1OC1CC1	95732811	168311215	/nfs/dbraw/zinc/31/12/15/168311215.db2.gz	YUWLZJWNHQFRKL-UHFFFAOYSA-N	0	0	194.299	3.258	10	0		AGAERN
CSc1ccc(SC)s1	36438131	168311291	/nfs/dbraw/zinc/31/12/91/168311291.db2.gz	JXURRPQVGBXPBT-UHFFFAOYSA-N	0	0	176.331	3.192	10	0		AGAERN
CSc1ccc(OC2CC2)cc1F	95733008	168311306	/nfs/dbraw/zinc/31/13/06/168311306.db2.gz	LSKPBNZZBSOANV-UHFFFAOYSA-N	0	0	198.262	3.089	10	0		AGAERN
CSc1ccc(OC2CC2)c(F)c1	95732907	168311439	/nfs/dbraw/zinc/31/14/39/168311439.db2.gz	ASYXIIJUZOZYQP-UHFFFAOYSA-N	0	0	198.262	3.089	10	0		AGAERN
CSc1ccc(O)c2ccccc12	39292035	168311526	/nfs/dbraw/zinc/31/15/26/168311526.db2.gz	BGVVSTYBJSTCAL-UHFFFAOYSA-N	0	0	190.267	3.267	10	0		AGAERN
CSc1cccc(O)c1C(C)(C)C	95723630	168311925	/nfs/dbraw/zinc/31/19/25/168311925.db2.gz	YSNBKMXYIOWINR-UHFFFAOYSA-N	0	0	196.315	3.412	10	0		AGAERN
CSc1cccc2ncsc12	89195264	168311986	/nfs/dbraw/zinc/31/19/86/168311986.db2.gz	DTYDCADAGALLRR-UHFFFAOYSA-N	0	0	181.285	3.018	10	0		AGAERN
CSc1cccc(O)c1C(C)C	95713157	168312098	/nfs/dbraw/zinc/31/20/98/168312098.db2.gz	XLPVRYAMXNHIQC-UHFFFAOYSA-N	0	0	182.288	3.238	10	0		AGAERN
CSc1cccc(F)c1OC1CC1	95733069	168312143	/nfs/dbraw/zinc/31/21/43/168312143.db2.gz	OKEAWWSQGTYKOX-UHFFFAOYSA-N	0	0	198.262	3.089	10	0		AGAERN
CSc1ccc2occc2c1	39136398	168312241	/nfs/dbraw/zinc/31/22/41/168312241.db2.gz	IFCRAVZTHDYHAJ-UHFFFAOYSA-N	0	0	164.229	3.155	10	0		AGAERN
CSc1cccc(C)c1OC1CC1	95733065	168312328	/nfs/dbraw/zinc/31/23/28/168312328.db2.gz	AZJDXRRDDYHNJP-UHFFFAOYSA-N	0	0	194.299	3.258	10	0		AGAERN
CSc1cccc(OCC(C)C)c1	95740056	168312377	/nfs/dbraw/zinc/31/23/77/168312377.db2.gz	UUPFQZSHYHJWJG-UHFFFAOYSA-N	0	0	196.315	3.443	10	0		AGAERN
CSc1cccc2occc12	39136504	168312473	/nfs/dbraw/zinc/31/24/73/168312473.db2.gz	ZQAOUBUXRMGKSG-UHFFFAOYSA-N	0	0	164.229	3.155	10	0		AGAERN
CSc1ccccc1SC	409352	168312520	/nfs/dbraw/zinc/31/25/20/168312520.db2.gz	KMGHCDZLSCNMDC-UHFFFAOYSA-N	0	0	170.302	3.130	10	0		AGAERN
CSc1ccc2ccccc2c1O	39419485	168312665	/nfs/dbraw/zinc/31/26/65/168312665.db2.gz	ONAUBAHYXGAQNE-UHFFFAOYSA-N	0	0	190.267	3.267	10	0		AGAERN
CSc1cccc(OC2CC2)c1F	95733118	168312679	/nfs/dbraw/zinc/31/26/79/168312679.db2.gz	BDWZAQHPKNIDBL-UHFFFAOYSA-N	0	0	198.262	3.089	10	0		AGAERN
CSc1ccnc(Cl)c1Cl	95616439	168312768	/nfs/dbraw/zinc/31/27/68/168312768.db2.gz	WZPIFLAJPMSHMG-UHFFFAOYSA-N	0	0	194.086	3.110	10	0		AGAERN
CSc1cccc(OC2CC2)c1C	95733095	168312829	/nfs/dbraw/zinc/31/28/29/168312829.db2.gz	PBMQGKMQBRMNGT-UHFFFAOYSA-N	0	0	194.299	3.258	10	0		AGAERN
CSc1ccc2scnc2c1	45235931	168312873	/nfs/dbraw/zinc/31/28/73/168312873.db2.gz	PBVWRZCQZJRSAX-UHFFFAOYSA-N	0	0	181.285	3.018	10	0		AGAERN
CSc1ccc2ncsc2c1	34500094	168312968	/nfs/dbraw/zinc/31/29/68/168312968.db2.gz	MOJXTJRNUMKDGP-UHFFFAOYSA-N	0	0	181.285	3.018	10	0		AGAERN
CSc1ccccc1-n1cccc1	1519652	168313076	/nfs/dbraw/zinc/31/30/76/168313076.db2.gz	VXHSMKKLBBAXCT-UHFFFAOYSA-N	0	0	189.283	3.199	10	0		AGAERN
CSc1cccc(-n2cccc2)c1	35120076	168313190	/nfs/dbraw/zinc/31/31/90/168313190.db2.gz	YUUWOQDUGFQDDM-UHFFFAOYSA-N	0	0	189.283	3.199	10	0		AGAERN
CSc1nc2ccc(C)cc2s1	34628604	168313602	/nfs/dbraw/zinc/31/36/02/168313602.db2.gz	PEFQUUGHMHMZSU-UHFFFAOYSA-N	0	0	195.312	3.327	10	0		AGAERN
CSc1nc2cccc(C)c2s1	45238178	168313814	/nfs/dbraw/zinc/31/38/14/168313814.db2.gz	DPVSTMDDLHZGMA-UHFFFAOYSA-N	0	0	195.312	3.327	10	0		AGAERN
CSc1coc2ccccc12	39136514	168314951	/nfs/dbraw/zinc/31/49/51/168314951.db2.gz	HCSWWOWOWMGJKF-UHFFFAOYSA-N	0	0	164.229	3.155	10	0		AGAERN
C[C@@H](/C=C/c1ccccc1)C(C)(C)O	69592766	168318333	/nfs/dbraw/zinc/31/83/33/168318333.db2.gz	GAVVCGWEAKCUQV-USKTWTLRSA-N	0	0	190.286	3.107	10	0		AGAERN
CSc1oc(C)c2c1CCCC2	104837217	168318349	/nfs/dbraw/zinc/31/83/49/168318349.db2.gz	XHQQJGBLXJIZHW-UHFFFAOYSA-N	0	0	182.288	3.189	10	0		AGAERN
C[C@@H](CCCc1ccccc1)[C@@H](C)O	43658765	168337273	/nfs/dbraw/zinc/33/72/73/168337273.db2.gz	YAPAYSATUVHIIB-NWDGAFQWSA-N	0	0	192.302	3.026	10	0		AGAERN
C[C@@H](CO)CCCCc1ccccc1	36448454	168347786	/nfs/dbraw/zinc/34/77/86/168347786.db2.gz	GAVHZYNUFIAYQK-GFCCVEGCSA-N	0	0	192.302	3.028	10	0		AGAERN
C[C@@H](CO)c1ccc(C(C)(C)C)cc1	41206042	168353155	/nfs/dbraw/zinc/35/31/55/168353155.db2.gz	YLFCIWOYXJYESM-JTQLQIEISA-N	0	0	192.302	3.080	10	0		AGAERN
C[C@@H](Cc1ccccc1)C(F)(F)F	196606365	168354027	/nfs/dbraw/zinc/35/40/27/168354027.db2.gz	VTJLJNDWCNWLJS-QMMMGPOBSA-N	0	0	188.192	3.428	10	0		AGAERN
C[C@@H](NO)c1ccc(C(C)(C)C)cc1	19728778	168383032	/nfs/dbraw/zinc/38/30/32/168383032.db2.gz	FJPDPSONIYMVFV-SECBINFHSA-N	0	0	193.290	3.024	10	0		AGAERN
C[C@@H](Nc1ccc(F)cc1F)C1CC1	19952041	168385112	/nfs/dbraw/zinc/38/51/12/168385112.db2.gz	HDLZWYPUWVLYEN-SSDOTTSWSA-N	0	0	197.228	3.175	10	0		AGAERN
C[C@@H](Nc1cccc(F)c1F)C1CC1	40230042	168385138	/nfs/dbraw/zinc/38/51/38/168385138.db2.gz	BUYODFLMDBLTCO-SSDOTTSWSA-N	0	0	197.228	3.175	10	0		AGAERN
C[C@@H](Nc1ccc(F)cc1)C1(C)CC1	36984297	168385187	/nfs/dbraw/zinc/38/51/87/168385187.db2.gz	RTRAIKYTKYQKBA-SECBINFHSA-N	0	0	193.265	3.426	10	0		AGAERN
C[C@@H](Nc1cccnc1)C1CCCC1	54077264	168385489	/nfs/dbraw/zinc/38/54/89/168385489.db2.gz	LHZZVPPCQXMGFF-SNVBAGLBSA-N	0	0	190.290	3.072	10	0		AGAERN
C[C@@H](Nc1ccccc1F)C1(C)CC1	36984299	168385726	/nfs/dbraw/zinc/38/57/26/168385726.db2.gz	CCKLEQJOEYPZFR-SECBINFHSA-N	0	0	193.265	3.426	10	0		AGAERN
C[C@@H](Nc1cccc(F)c1)C1(C)CC1	37467872	168386012	/nfs/dbraw/zinc/38/60/12/168386012.db2.gz	QTCLFZMJTVRCMI-SECBINFHSA-N	0	0	193.265	3.426	10	0		AGAERN
C[C@@H](Nc1ccccc1)C1(C)CC1	37467521	168386201	/nfs/dbraw/zinc/38/62/01/168386201.db2.gz	CZWONPDBERZNCC-SNVBAGLBSA-N	0	0	175.275	3.287	10	0		AGAERN
C[C@@H](Nc1c(F)cccc1F)C1CC1	34957562	168386220	/nfs/dbraw/zinc/38/62/20/168386220.db2.gz	IRMPEFAALCDDPZ-SSDOTTSWSA-N	0	0	197.228	3.175	10	0		AGAERN
C[C@@H](Nc1cc(F)cc(F)c1)C1CC1	19961882	168386252	/nfs/dbraw/zinc/38/62/52/168386252.db2.gz	KMKOFOPUOQBXLO-SSDOTTSWSA-N	0	0	197.228	3.175	10	0		AGAERN
C[C@@H](Nc1cccnc1)c1ccccc1	19884228	168386501	/nfs/dbraw/zinc/38/65/01/168386501.db2.gz	RBKKUKGRGTTZCW-LLVKDONJSA-N	0	0	198.269	3.255	10	0		AGAERN
C[C@@H](O)C1CCC(C(C)(C)C)CC1	6036057	168389197	/nfs/dbraw/zinc/38/91/97/168389197.db2.gz	FNBYRKVLUFZUKN-KPPDAEKUSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@@H](O)[C@H](C)CCCc1ccccc1	43658766	168398812	/nfs/dbraw/zinc/39/88/12/168398812.db2.gz	YAPAYSATUVHIIB-VXGBXAGGSA-N	0	0	192.302	3.026	10	0		AGAERN
C[C@@H](O)c1cc(Cl)sc1Cl	40260860	168398889	/nfs/dbraw/zinc/39/88/89/168398889.db2.gz	XSIZWBGQPYACNW-GSVOUGTGSA-N	0	0	197.086	3.108	10	0		AGAERN
C[C@@H](O)c1cc2cc(Cl)ccc2o1	83815354	168399712	/nfs/dbraw/zinc/39/97/12/168399712.db2.gz	ZZIMHOKUNRPBKK-ZCFIWIBFSA-N	0	0	196.633	3.140	10	0		AGAERN
C[C@@H](c1cccc(O)c1)C(F)(F)F	75839476	168404574	/nfs/dbraw/zinc/40/45/74/168404574.db2.gz	UKBAOXXHWAMSBH-LURJTMIESA-N	0	0	190.164	3.058	10	0		AGAERN
C[C@@H](c1cccs1)n1cccc1	35149381	168406234	/nfs/dbraw/zinc/40/62/34/168406234.db2.gz	FURZLNKUGHIAGA-VIFPVBQESA-N	0	0	177.272	3.159	10	0		AGAERN
C[C@@H](c1ccccc1)c1ccccn1	36438256	168406253	/nfs/dbraw/zinc/40/62/53/168406253.db2.gz	ZFZPQOVKSLKIKI-NSHDSACASA-N	0	0	183.254	3.233	10	0		AGAERN
C[C@@H]1C=Cc2cccc(Cl)c2N1	71479773	168410002	/nfs/dbraw/zinc/41/00/02/168410002.db2.gz	LCKCZTPTOJAOEV-SSDOTTSWSA-N	0	0	179.650	3.167	10	0		AGAERN
C[C@@H]1C=Cc2cc(Cl)ccc2N1	71479787	168410446	/nfs/dbraw/zinc/41/04/46/168410446.db2.gz	XKALUEGTRIPVLA-SSDOTTSWSA-N	0	0	179.650	3.167	10	0		AGAERN
C[C@@H]1CCCCC12SCCS2	5735603	168413882	/nfs/dbraw/zinc/41/38/82/168413882.db2.gz	MVZUYLHBMPBJRF-MRVPVSSYSA-N	0	0	188.361	3.373	10	0		AGAERN
C[C@@H]1CCCC[C@@]1(O)C1CCCC1	37375796	168416948	/nfs/dbraw/zinc/41/69/48/168416948.db2.gz	POPGVVSTYPGFOA-PWSUYJOCSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1n1cc[nH]c1=S	20581311	168418148	/nfs/dbraw/zinc/41/81/48/168418148.db2.gz	VCEIICPAUPBDLE-BDAKNGLRSA-N	0	0	196.319	3.297	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1n1cccc1	35120285	168418188	/nfs/dbraw/zinc/41/81/88/168418188.db2.gz	GDIBAWKDQYPLIJ-MNOVXSKESA-N	0	0	163.264	3.239	10	0		AGAERN
C[C@@H]1CCCC[C@H]1n1cccc1	35120289	168418228	/nfs/dbraw/zinc/41/82/28/168418228.db2.gz	GDIBAWKDQYPLIJ-GHMZBOCLSA-N	0	0	163.264	3.239	10	0		AGAERN
C[C@@H]1CCC[C@@H](C(=O)C(C)(C)C)C1	52231667	168425583	/nfs/dbraw/zinc/42/55/83/168425583.db2.gz	MSAHPZVQOBEFJE-NXEZZACHSA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@@H]1CCC[C@@H](n2cccc2)[C@@H]1C	35120271	168426555	/nfs/dbraw/zinc/42/65/55/168426555.db2.gz	BWSUHGOYWHLBKF-IJLUTSLNSA-N	0	0	177.291	3.485	10	0		AGAERN
C[C@@H]1CCC[C@@H]1Sc1ccccn1	256008774	168427030	/nfs/dbraw/zinc/42/70/30/168427030.db2.gz	WHBUGTWFRBCJKX-ZJUUUORDSA-N	0	0	193.315	3.362	10	0		AGAERN
C[C@@H]1CCC[C@@](O)(C2CCCC2)C1	37375459	168427288	/nfs/dbraw/zinc/42/72/88/168427288.db2.gz	RTOKFRBWUNYIBT-PWSUYJOCSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@@H]1CCSc2ccccc21	39246969	168436687	/nfs/dbraw/zinc/43/66/87/168436687.db2.gz	HLJCDJBLHQKRNI-MRVPVSSYSA-N	0	0	164.273	3.286	10	0		AGAERN
C[C@@H]1CC[C@H](C(C)(C)C)CC1=O	39259771	168440593	/nfs/dbraw/zinc/44/05/93/168440593.db2.gz	WVVALRZXBLFRSJ-BDAKNGLRSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@@H]1CCc2c(Cl)cccc2C1=O	71488994	168444344	/nfs/dbraw/zinc/44/43/44/168444344.db2.gz	KTIKCYMZHNVEFH-SSDOTTSWSA-N	0	0	194.661	3.105	10	0		AGAERN
C[C@@H]1C[C@@H]2[C@@H](C1)[C@@H]1C[C@H]2C[C@H]1C	143778298	168472655	/nfs/dbraw/zinc/47/26/55/168472655.db2.gz	YWODRIVKZDDQEI-JKCCIXDMSA-N	0	0	164.292	3.325	10	0		AGAERN
C[C@@H]1C[C@H](C(C)(C)C)CCC1=O	43654047	168474712	/nfs/dbraw/zinc/47/47/12/168474712.db2.gz	LYCRAZFAMQOPDJ-RKDXNWHRSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@@H]1Cc2cc(C(C)(C)C)ccc2N1	71484188	168481452	/nfs/dbraw/zinc/48/14/52/168481452.db2.gz	DLCADQDECVUBNK-SECBINFHSA-N	0	0	189.302	3.341	10	0		AGAERN
C[C@@H]1Nc2ccc(Cl)cc2[C@@H]1C	71484411	168486089	/nfs/dbraw/zinc/48/60/89/168486089.db2.gz	VJKRICFDADRTNJ-RQJHMYQMSA-N	0	0	181.666	3.258	10	0		AGAERN
C[C@@H]1O[C@H](C)[C@@H](c2ccccc2)[C@H]1C	255962173	168489396	/nfs/dbraw/zinc/48/93/96/168489396.db2.gz	AHURUFWASMODST-KQXIARHKSA-N	0	0	190.286	3.214	10	0		AGAERN
C[C@H](CO)CCCCc1ccccc1	36448453	168535683	/nfs/dbraw/zinc/53/56/83/168535683.db2.gz	GAVHZYNUFIAYQK-LBPRGKRZSA-N	0	0	192.302	3.028	10	0		AGAERN
C[C@H](NO)c1ccc(C(C)(C)C)cc1	19728779	168569038	/nfs/dbraw/zinc/56/90/38/168569038.db2.gz	FJPDPSONIYMVFV-VIFPVBQESA-N	0	0	193.290	3.024	10	0		AGAERN
C[C@H](Nc1ccc(F)cc1)C1(C)CC1	36984296	168570867	/nfs/dbraw/zinc/57/08/67/168570867.db2.gz	RTRAIKYTKYQKBA-VIFPVBQESA-N	0	0	193.265	3.426	10	0		AGAERN
C[C@H](Nc1ccccc1F)C1(C)CC1	36984298	168571928	/nfs/dbraw/zinc/57/19/28/168571928.db2.gz	CCKLEQJOEYPZFR-VIFPVBQESA-N	0	0	193.265	3.426	10	0		AGAERN
C[C@H](O)C1CCC(C(C)(C)C)CC1	6020327	168574374	/nfs/dbraw/zinc/57/43/74/168574374.db2.gz	FNBYRKVLUFZUKN-WHXUTIOJSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@H](O)c1cc2cc(Cl)ccc2o1	83815353	168585197	/nfs/dbraw/zinc/58/51/97/168585197.db2.gz	ZZIMHOKUNRPBKK-LURJTMIESA-N	0	0	196.633	3.140	10	0		AGAERN
C[C@H](c1ccc(F)cc1)n1cccc1	42207741	168590015	/nfs/dbraw/zinc/59/00/15/168590015.db2.gz	WOMCPWVJHISCPD-SNVBAGLBSA-N	0	0	189.233	3.237	10	0		AGAERN
C[C@H](c1ccccc1)c1ccncc1	34622191	168590968	/nfs/dbraw/zinc/59/09/68/168590968.db2.gz	XGFRYLCIQYDSPE-LLVKDONJSA-N	0	0	183.254	3.233	10	0		AGAERN
C[C@H]1CC(=O)c2cccc(Cl)c21	19972461	168595389	/nfs/dbraw/zinc/59/53/89/168595389.db2.gz	WFLNXCHWFCCKNP-LURJTMIESA-N	0	0	180.634	3.030	10	0		AGAERN
C[C@H]1CCCC[C@]1(O)c1ccccc1	1695197	168603076	/nfs/dbraw/zinc/60/30/76/168603076.db2.gz	SMWRMTHIQDFNPL-WCQYABFASA-N	0	0	190.286	3.084	10	0		AGAERN
C[C@H]1CCCC[C@H]1n1cccc1	35120291	168603397	/nfs/dbraw/zinc/60/33/97/168603397.db2.gz	GDIBAWKDQYPLIJ-WDEREUQCSA-N	0	0	163.264	3.239	10	0		AGAERN
C[C@H]1CCC[C@@H](C(=O)C(C)(C)C)C1	52231671	168608251	/nfs/dbraw/zinc/60/82/51/168608251.db2.gz	MSAHPZVQOBEFJE-VHSXEESVSA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@H]1CCC[C@@H]1Sc1ccccn1	256008772	168609141	/nfs/dbraw/zinc/60/91/41/168609141.db2.gz	WHBUGTWFRBCJKX-UWVGGRQHSA-N	0	0	193.315	3.362	10	0		AGAERN
C[C@H]1CCC[C@@H](c2ccccc2)C1=O	21991020	168609261	/nfs/dbraw/zinc/60/92/61/168609261.db2.gz	LAFLVXLMEIBOGU-JQWIXIFHSA-N	0	0	188.270	3.159	10	0		AGAERN
C[C@H]1CCC[C@@H](Nc2cccnc2)C1	19884173	168609871	/nfs/dbraw/zinc/60/98/71/168609871.db2.gz	SMXRYAQQAXPGGX-WDEREUQCSA-N	0	0	190.290	3.072	10	0		AGAERN
C[C@H]1CCC[C@@](O)(c2ccsc2)C1	39434027	168611382	/nfs/dbraw/zinc/61/13/82/168611382.db2.gz	UGNSVQRMIQFAIW-ONGXEEELSA-N	0	0	196.315	3.146	10	0		AGAERN
C[C@H]1CCC[C@]1(O)C1CCCCC1	34108042	168612309	/nfs/dbraw/zinc/61/23/09/168612309.db2.gz	CIHZDQHRFAVCAL-CMPLNLGQSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@H]1CCC[C@H](Nc2cccnc2)C1	19884177	168612355	/nfs/dbraw/zinc/61/23/55/168612355.db2.gz	SMXRYAQQAXPGGX-QWRGUYRKSA-N	0	0	190.290	3.072	10	0		AGAERN
C[C@H]1CC[C@@H](SCc2ccon2)C1	334975288	168620936	/nfs/dbraw/zinc/62/09/36/168620936.db2.gz	QMGGPGZDRVAUBP-WCBMZHEXSA-N	0	0	197.303	3.096	10	0		AGAERN
C[C@H]1CC[C@H](SCc2ccon2)C1	334975289	168626447	/nfs/dbraw/zinc/62/64/47/168626447.db2.gz	QMGGPGZDRVAUBP-WPRPVWTQSA-N	0	0	197.303	3.096	10	0		AGAERN
C[C@H]1Cc2cc(C(C)(C)C)ccc2N1	71484189	168665504	/nfs/dbraw/zinc/66/55/04/168665504.db2.gz	DLCADQDECVUBNK-VIFPVBQESA-N	0	0	189.302	3.341	10	0		AGAERN
C[C@H]1Oc2ccc(C(C)(C)C)cc2O1	6066819	168673604	/nfs/dbraw/zinc/67/36/04/168673604.db2.gz	QOAMCMUZZWSALB-QMMMGPOBSA-N	0	0	192.258	3.101	10	0		AGAERN
C[C@H]1S[C@@H](C)S[C@@H](C)S1	263584619	168675218	/nfs/dbraw/zinc/67/52/18/168675218.db2.gz	XQVYLDFSPBXACS-FPFOFBBKSA-N	0	0	180.363	3.238	10	0		AGAERN
C[Si]1(C)CCCC[Si]1(C)C	195805792	168695265	/nfs/dbraw/zinc/69/52/65/168695265.db2.gz	KJMGETFPTJFIJX-UHFFFAOYSA-N	0	0	172.420	3.275	10	0		AGAERN
Cc1[nH]c2cccc(C)c2c1C	6071783	168698586	/nfs/dbraw/zinc/69/85/86/168698586.db2.gz	VMDDSJXYVPDVLK-UHFFFAOYSA-N	0	0	159.232	3.093	10	0		AGAERN
Cc1[nH]c2c(C)ccc(C)c2c1C	82587734	168698725	/nfs/dbraw/zinc/69/87/25/168698725.db2.gz	TVGROLOWIKMJFV-UHFFFAOYSA-N	0	0	173.259	3.402	10	0		AGAERN
Cc1c(C(F)F)[nH]c2ccccc12	95930906	168707981	/nfs/dbraw/zinc/70/79/81/168707981.db2.gz	VOPXYSYLBOTYIN-UHFFFAOYSA-N	0	0	181.185	3.414	10	0		AGAERN
Cc1c(C=O)oc2c(Cl)cccc12	82321976	168708353	/nfs/dbraw/zinc/70/83/53/168708353.db2.gz	ANBDXMZWJRRYJJ-UHFFFAOYSA-N	0	0	194.617	3.207	10	0		AGAERN
Cc1c(Cl)ccc2c1NC[C@@H](C)C2	11987366	168710165	/nfs/dbraw/zinc/71/01/65/168710165.db2.gz	QKNKRSAIQMZZHY-ZETCQYMHSA-N	0	0	195.693	3.253	10	0		AGAERN
Cc1c(Cl)cccc1NC1CC1	82710800	168710959	/nfs/dbraw/zinc/71/09/59/168710959.db2.gz	YUJUDZZUTHAVGM-UHFFFAOYSA-N	0	0	181.666	3.223	10	0		AGAERN
Cc1c(Cl)cnc(Cl)c1C	95080740	168711098	/nfs/dbraw/zinc/71/10/98/168711098.db2.gz	VBBFNQSTHRMPRV-UHFFFAOYSA-N	0	0	176.046	3.005	10	0		AGAERN
Cc1c(Cl)cccc1C(=O)C1CC1	49811403	168711145	/nfs/dbraw/zinc/71/11/45/168711145.db2.gz	NKGRWEDIFPFHKZ-UHFFFAOYSA-N	0	0	194.661	3.241	10	0		AGAERN
Cc1c[nH]c2ccc(OC(C)C)cc12	82588291	168720024	/nfs/dbraw/zinc/72/00/24/168720024.db2.gz	AYATWZBGIYDGGS-UHFFFAOYSA-N	0	0	189.258	3.264	10	0		AGAERN
Cc1c[nH]c(-c2cccs2)c1	95935628	168720530	/nfs/dbraw/zinc/72/05/30/168720530.db2.gz	NHDKUVWMYSGYPR-UHFFFAOYSA-N	0	0	163.245	3.052	10	0		AGAERN
Cc1cc(-c2ccccc2N)c(C)o1	41048899	168723355	/nfs/dbraw/zinc/72/33/55/168723355.db2.gz	VDGSKWNAJQGMEW-UHFFFAOYSA-N	0	0	187.242	3.146	10	0		AGAERN
Cc1cc(-c2ccsc2)ccc1O	65340205	168724088	/nfs/dbraw/zinc/72/40/88/168724088.db2.gz	APTRLIVNCHDKFG-UHFFFAOYSA-N	0	0	190.267	3.429	10	0		AGAERN
Cc1cc(-c2cccs2)ccc1N	22154635	168724643	/nfs/dbraw/zinc/72/46/43/168724643.db2.gz	PXKVIMHWHANWCD-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
Cc1cc(C)c(OC(F)F)c(C)c1	41203431	168740287	/nfs/dbraw/zinc/74/02/87/168740287.db2.gz	WDKNGQGPCPWOQR-UHFFFAOYSA-N	0	0	186.201	3.213	10	0		AGAERN
Cc1cc(C)c2[nH]c3c(c2c1)CCC3	8548927	168740290	/nfs/dbraw/zinc/74/02/90/168740290.db2.gz	AIFXHOYRWLOCFE-UHFFFAOYSA-N	0	0	185.270	3.273	10	0		AGAERN
Cc1cc(C)c2c(c1)C(=O)CCCC2	19726985	168741294	/nfs/dbraw/zinc/74/12/94/168741294.db2.gz	YCMWLUSGXBGYQZ-UHFFFAOYSA-N	0	0	188.270	3.213	10	0		AGAERN
Cc1cc(C)c2c(c1)C(=O)[C@@H](C)CC2	71488983	168741636	/nfs/dbraw/zinc/74/16/36/168741636.db2.gz	FDIUTZDNTGGXGB-VIFPVBQESA-N	0	0	188.270	3.068	10	0		AGAERN
Cc1cc(C)c2c(c1)[C@H](O)CC[C@@H]2C	2010674	168742224	/nfs/dbraw/zinc/74/22/24/168742224.db2.gz	QYUOLMFNLBRSKY-JOYOIKCWSA-N	0	0	190.286	3.234	10	0		AGAERN
Cc1cc(C)c2scc(C=O)c2c1	82320940	168742506	/nfs/dbraw/zinc/74/25/06/168742506.db2.gz	SVJFWWYCUJVYGQ-UHFFFAOYSA-N	0	0	190.267	3.331	10	0		AGAERN
Cc1cc(C)cc(-c2cncc(O)c2)c1	65337733	168742604	/nfs/dbraw/zinc/74/26/04/168742604.db2.gz	YVLZUSWAUXVZED-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1cc(C)c2oc(C=O)cc2c1C	82391415	168743361	/nfs/dbraw/zinc/74/33/61/168743361.db2.gz	SDWGDJSBXHCKPF-UHFFFAOYSA-N	0	0	188.226	3.171	10	0		AGAERN
Cc1cc(C)cc(C(=O)[C@H]2C[C@H]2C)c1	83807069	168743533	/nfs/dbraw/zinc/74/35/33/168743533.db2.gz	RKMBKJXKQOIWTP-PWSUYJOCSA-N	0	0	188.270	3.142	10	0		AGAERN
Cc1cc(C)c2cccc(N)c2c1	39119010	168743597	/nfs/dbraw/zinc/74/35/97/168743597.db2.gz	NDDYXDGQJRAXHP-UHFFFAOYSA-N	0	0	171.243	3.039	10	0		AGAERN
Cc1cc(C)cc(C2(O)CCCC2)c1	37745856	168743641	/nfs/dbraw/zinc/74/36/41/168743641.db2.gz	CZNYQGGYRCGSLT-UHFFFAOYSA-N	0	0	190.286	3.065	10	0		AGAERN
Cc1cc(C)c2ccoc2c1	141150921	168743756	/nfs/dbraw/zinc/74/37/56/168743756.db2.gz	FTDWPZACXQZNMS-UHFFFAOYSA-N	0	0	146.189	3.050	10	0		AGAERN
Cc1cc(C)c2sc(C=O)cc2c1	39148303	168743806	/nfs/dbraw/zinc/74/38/06/168743806.db2.gz	DDGCRXDPEBSYFZ-UHFFFAOYSA-N	0	0	190.267	3.331	10	0		AGAERN
Cc1cc(C)c2cc(F)cc(C)c2n1	299889572	168744076	/nfs/dbraw/zinc/74/40/76/168744076.db2.gz	LCTYFAPPEPOSPQ-UHFFFAOYSA-N	0	0	189.233	3.299	10	0		AGAERN
Cc1cc(C)cc([C@@H](O)CC(C)C)c1	37746051	168745517	/nfs/dbraw/zinc/74/55/17/168745517.db2.gz	CWJCIDIQIVKYNB-ZDUSSCGKSA-N	0	0	192.302	3.383	10	0		AGAERN
Cc1cc(C)n(C2CCCCCC2)n1	40928718	168747524	/nfs/dbraw/zinc/74/75/24/168747524.db2.gz	HIMTVXBOMZPNKP-UHFFFAOYSA-N	0	0	192.306	3.395	10	0		AGAERN
Cc1cc(C=O)c(C)n1[C@@H](C)C(C)C	20523443	168751008	/nfs/dbraw/zinc/75/10/08/168751008.db2.gz	CUNHCUPUKLQPAR-JTQLQIEISA-N	0	0	193.290	3.134	10	0		AGAERN
Cc1cc(C2CCCCC2)on1	39113210	168751231	/nfs/dbraw/zinc/75/12/31/168751231.db2.gz	ZVQJNYCFSXQQLS-UHFFFAOYSA-N	0	0	165.236	3.031	10	0		AGAERN
Cc1cc(Cl)cc2c1NC[C@@H]2C	19948143	168759448	/nfs/dbraw/zinc/75/94/48/168759448.db2.gz	APJWBNDYMXZANG-ZETCQYMHSA-N	0	0	181.666	3.177	10	0		AGAERN
Cc1cc(Cl)cc2c1NC[C@H]2C	19948140	168759450	/nfs/dbraw/zinc/75/94/50/168759450.db2.gz	APJWBNDYMXZANG-SSDOTTSWSA-N	0	0	181.666	3.177	10	0		AGAERN
Cc1cc(Cl)cc2c1NC[C@@H](C)C2	11987356	168759520	/nfs/dbraw/zinc/75/95/20/168759520.db2.gz	AFPXLXQJGGFPHU-ZETCQYMHSA-N	0	0	195.693	3.253	10	0		AGAERN
Cc1cc(Cl)cc2[nH]c(=S)[nH]c12	62152727	168759632	/nfs/dbraw/zinc/75/96/32/168759632.db2.gz	MXAZIQAHUVKDSL-UHFFFAOYSA-N	0	0	198.678	3.187	10	0		AGAERN
Cc1cc(Cl)ccc1C(=O)C1CC1	39414838	168759981	/nfs/dbraw/zinc/75/99/81/168759981.db2.gz	CQJSHKQCFNJVJV-UHFFFAOYSA-N	0	0	194.661	3.241	10	0		AGAERN
Cc1cc(Cl)nc(CCC(C)C)n1	43374145	168760811	/nfs/dbraw/zinc/76/08/11/168760811.db2.gz	HDURICALQUPNFY-UHFFFAOYSA-N	0	0	198.697	3.027	10	0		AGAERN
Cc1cc(F)ccc1SC(F)F	41205827	168762398	/nfs/dbraw/zinc/76/23/98/168762398.db2.gz	WUDYVHNVPXTPHK-UHFFFAOYSA-N	0	0	192.205	3.449	10	0		AGAERN
Cc1cc(F)cc2c(C=O)csc12	82387456	168762509	/nfs/dbraw/zinc/76/25/09/168762509.db2.gz	ZAGCVMSMUFMRFH-UHFFFAOYSA-N	0	0	194.230	3.161	10	0		AGAERN
Cc1cc(F)ccc1-c1ccncc1	47217175	168763190	/nfs/dbraw/zinc/76/31/90/168763190.db2.gz	GQXZUSFNQTYHHB-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1cc(N)c2c(C)cccc2c1	75561351	168764800	/nfs/dbraw/zinc/76/48/00/168764800.db2.gz	LBZOEFDOBYXQQR-UHFFFAOYSA-N	0	0	171.243	3.039	10	0		AGAERN
Cc1cc(N)ccc1SC(C)C	37193910	168766839	/nfs/dbraw/zinc/76/68/39/168766839.db2.gz	MRYXLWXZVBPODN-UHFFFAOYSA-N	0	0	181.304	3.078	10	0		AGAERN
Cc1cc(N)c2cccc(C)c2c1	39119016	168766925	/nfs/dbraw/zinc/76/69/25/168766925.db2.gz	XOPUGAKFYRDXCF-UHFFFAOYSA-N	0	0	171.243	3.039	10	0		AGAERN
Cc1cc(O)c(C(C)C)cc1C	75838568	168774952	/nfs/dbraw/zinc/77/49/52/168774952.db2.gz	RFRYAUSWHSKOIY-UHFFFAOYSA-N	0	0	164.248	3.132	10	0		AGAERN
Cc1cc(OC2CC2)cnc1C(C)C	95724793	168775531	/nfs/dbraw/zinc/77/55/31/168775531.db2.gz	NSSWBZCRSLERLO-UHFFFAOYSA-N	0	0	191.274	3.055	10	0		AGAERN
Cc1cc(OC(F)F)ccc1Cl	3260076	168775599	/nfs/dbraw/zinc/77/55/99/168775599.db2.gz	HMFLMXGYRICIHE-UHFFFAOYSA-N	0	0	192.592	3.250	10	0		AGAERN
Cc1cc(SC(C)C)ccc1N	37684987	168777183	/nfs/dbraw/zinc/77/71/83/168777183.db2.gz	PDGWIUCUIDODJT-UHFFFAOYSA-N	0	0	181.304	3.078	10	0		AGAERN
Cc1cc([C@@H](O)CC(C)C)ccc1F	32009386	168779090	/nfs/dbraw/zinc/77/90/90/168779090.db2.gz	IOMLKLJZSYAYIZ-LBPRGKRZSA-N	0	0	196.265	3.214	10	0		AGAERN
Cc1cc([C@@H](O)C(C)C)c(C)s1	48453742	168779545	/nfs/dbraw/zinc/77/95/45/168779545.db2.gz	RYXDDLPULUOUOJ-JTQLQIEISA-N	0	0	184.304	3.054	10	0		AGAERN
Cc1cc([C@@H](O)CC2CC2)c(C)s1	49731846	168779867	/nfs/dbraw/zinc/77/98/67/168779867.db2.gz	RWLZQGGWOPHLFT-NSHDSACASA-N	0	0	196.315	3.198	10	0		AGAERN
Cc1cc([C@H](O)C2=CCCC2)c(C)o1	50329186	168782741	/nfs/dbraw/zinc/78/27/41/168782741.db2.gz	AWKYNICKTWAVAQ-GFCCVEGCSA-N	0	0	192.258	3.040	10	0		AGAERN
Cc1cc([C@H](O)CC(C)C)ccc1F	32009385	168782975	/nfs/dbraw/zinc/78/29/75/168782975.db2.gz	IOMLKLJZSYAYIZ-GFCCVEGCSA-N	0	0	196.265	3.214	10	0		AGAERN
Cc1cc([C@H](O)[C@H]2C[C@@H]2C)c(C)s1	40257359	168783407	/nfs/dbraw/zinc/78/34/07/168783407.db2.gz	CWRDDDMSQRCKOQ-DQBIJJQNSA-N	0	0	196.315	3.054	10	0		AGAERN
Cc1cc([C@H](O)C2CCC2)c(C)s1	40257372	168783641	/nfs/dbraw/zinc/78/36/41/168783641.db2.gz	YXVPFUZPJBDLDZ-LLVKDONJSA-N	0	0	196.315	3.198	10	0		AGAERN
Cc1cc([C@H](O)CC2CC2)c(C)s1	49731843	168783786	/nfs/dbraw/zinc/78/37/86/168783786.db2.gz	RWLZQGGWOPHLFT-LLVKDONJSA-N	0	0	196.315	3.198	10	0		AGAERN
Cc1cc2c(C)cccc2o1	2013340	168784814	/nfs/dbraw/zinc/78/48/14/168784814.db2.gz	VAJDUPSIEUTLHX-UHFFFAOYSA-N	0	0	146.189	3.050	10	0		AGAERN
Cc1cc2c(Cl)nccc2cc1F	71482452	168785240	/nfs/dbraw/zinc/78/52/40/168785240.db2.gz	GNRWHQQPDLRYAL-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
Cc1cc2c(cc1C)N[C@H](C)C=C2	71479809	168786332	/nfs/dbraw/zinc/78/63/32/168786332.db2.gz	KEUFPYCXKOQDBY-SNVBAGLBSA-N	0	0	173.259	3.131	10	0		AGAERN
Cc1cc2c(F)cccc2s1	75926961	168786342	/nfs/dbraw/zinc/78/63/42/168786342.db2.gz	DNAKZPIGPVWTAJ-UHFFFAOYSA-N	0	0	166.220	3.349	10	0		AGAERN
Cc1cc2c(cc1Cl)NC[C@H](C)C2	11987376	168786351	/nfs/dbraw/zinc/78/63/51/168786351.db2.gz	WCTSKMQYWMYKCY-SSDOTTSWSA-N	0	0	195.693	3.253	10	0		AGAERN
Cc1cc2c(cc1C)NCCCC2	31889019	168786524	/nfs/dbraw/zinc/78/65/24/168786524.db2.gz	OZZIPWIWCFNHIA-UHFFFAOYSA-N	0	0	175.275	3.052	10	0		AGAERN
Cc1cc2c(nc1Cl)CC[C@H](C)C2	49811577	168787986	/nfs/dbraw/zinc/78/79/86/168787986.db2.gz	ODYPAPWRKSMMFA-ZETCQYMHSA-N	0	0	195.693	3.168	10	0		AGAERN
Cc1cc2cc(C=O)ccc2s1	34278190	168788727	/nfs/dbraw/zinc/78/87/27/168788727.db2.gz	GVDSRENOWDBWIJ-UHFFFAOYSA-N	0	0	176.240	3.022	10	0		AGAERN
Cc1cc2cc(C)c(C)cc2o1	39136373	168788925	/nfs/dbraw/zinc/78/89/25/168788925.db2.gz	QCRMYXDOAGNTHW-UHFFFAOYSA-N	0	0	160.216	3.358	10	0		AGAERN
Cc1cc2sc(C=O)cc2cc1F	82387455	168791714	/nfs/dbraw/zinc/79/17/14/168791714.db2.gz	QLNJZABIBIJJGB-UHFFFAOYSA-N	0	0	194.230	3.161	10	0		AGAERN
Cc1cc2occ(C)c2cc1C	38251089	168792583	/nfs/dbraw/zinc/79/25/83/168792583.db2.gz	NGTVEFSPQPARBA-UHFFFAOYSA-N	0	0	160.216	3.358	10	0		AGAERN
Cc1ccc(-c2cccc(N)c2)s1	41048955	168793022	/nfs/dbraw/zinc/79/30/22/168793022.db2.gz	YSAOIMDTDAPIFP-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
Cc1ccc(-c2cccc(F)c2)nc1	47204868	168793308	/nfs/dbraw/zinc/79/33/08/168793308.db2.gz	IHEVOFZBQHULCK-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1ccc(-c2ccccc2F)[nH]1	41199050	168793556	/nfs/dbraw/zinc/79/35/56/168793556.db2.gz	BQDDHLWQPSGMPB-UHFFFAOYSA-N	0	0	175.206	3.129	10	0		AGAERN
Cc1ccc(-c2ccc(F)cc2)[nH]1	41199053	168793607	/nfs/dbraw/zinc/79/36/07/168793607.db2.gz	LFSPJPDBKUTBBD-UHFFFAOYSA-N	0	0	175.206	3.129	10	0		AGAERN
Cc1ccc(-c2cc(Cl)on2)cc1	34501035	168793973	/nfs/dbraw/zinc/79/39/73/168793973.db2.gz	PHZSGWWQGOWZRT-UHFFFAOYSA-N	0	0	193.633	3.303	10	0		AGAERN
Cc1ccc(C2=CSC(=O)C2)cc1	103628129	168794273	/nfs/dbraw/zinc/79/42/73/168794273.db2.gz	ZPILTYAZTXADCY-UHFFFAOYSA-N	0	0	190.267	3.429	10	0		AGAERN
Cc1ccc(-c2cccs2)c(N)c1	41048934	168794335	/nfs/dbraw/zinc/79/43/35/168794335.db2.gz	FUCYKWWNNQSWIN-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
Cc1ccc(-c2ccco2)cc1	16946802	168794953	/nfs/dbraw/zinc/79/49/53/168794953.db2.gz	NUCCVVARGOJARG-UHFFFAOYSA-N	0	0	158.200	3.255	10	0		AGAERN
Cc1ccc(-c2nc(C)cs2)cc1	41204780	168795117	/nfs/dbraw/zinc/79/51/17/168795117.db2.gz	AMJZLOUMUGTOQK-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
Cc1ccc(-c2cccs2)nc1	138807801	168795199	/nfs/dbraw/zinc/79/51/99/168795199.db2.gz	FPTAWBOKTZLENX-UHFFFAOYSA-N	0	0	175.256	3.119	10	0		AGAERN
Cc1ccc(-c2cccs2)[nH]1	34545705	168795346	/nfs/dbraw/zinc/79/53/46/168795346.db2.gz	SVXKDBUPAALJOJ-UHFFFAOYSA-N	0	0	163.245	3.052	10	0		AGAERN
Cc1ccc(-c2ccncc2)cc1F	38810547	168795355	/nfs/dbraw/zinc/79/53/55/168795355.db2.gz	UGUAIGMNDQFNAX-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1ccc(-c2cncc(O)c2)c(C)c1	65337724	168795441	/nfs/dbraw/zinc/79/54/41/168795441.db2.gz	RLRMVIPXGMQBHY-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1ccc(-c2csc(N)c2)cc1	104076099	168795525	/nfs/dbraw/zinc/79/55/25/168795525.db2.gz	XDYGRROVMGFPJP-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
Cc1ccc(C(=O)CCC(C)C)o1	43609229	168798447	/nfs/dbraw/zinc/79/84/47/168798447.db2.gz	TWPBRQSSMFZJTG-UHFFFAOYSA-N	0	0	180.247	3.207	10	0		AGAERN
Cc1ccc(C(=O)C[C@H]2C=CCC2)o1	90396287	168798788	/nfs/dbraw/zinc/79/87/88/168798788.db2.gz	SATZQTPMGPULLU-JTQLQIEISA-N	0	0	190.242	3.127	10	0		AGAERN
Cc1ccc(C(=O)C2(C)CC2)c(C)c1	71500238	168799049	/nfs/dbraw/zinc/79/90/49/168799049.db2.gz	GFTWOUHLRUJAOU-UHFFFAOYSA-N	0	0	188.270	3.286	10	0		AGAERN
Cc1ccc(C(=O)C2CCC2)s1	34976796	168799360	/nfs/dbraw/zinc/79/93/60/168799360.db2.gz	UGJRKQMRVHDBQF-UHFFFAOYSA-N	0	0	180.272	3.039	10	0		AGAERN
Cc1ccc(C(=O)C(C)(C)C)s1	36942610	168799676	/nfs/dbraw/zinc/79/96/76/168799676.db2.gz	KUQAJTNHPWTFGR-UHFFFAOYSA-N	0	0	182.288	3.285	10	0		AGAERN
Cc1ccc(C(=O)[C@@H]2C[C@@H]2C)cc1C	36944824	168801880	/nfs/dbraw/zinc/80/18/80/168801880.db2.gz	BMYHDFSQMARSFU-CMPLNLGQSA-N	0	0	188.270	3.142	10	0		AGAERN
Cc1ccc(C(=O)[C@@H]2C[C@@H]2C)c(C)c1	34976563	168801994	/nfs/dbraw/zinc/80/19/94/168801994.db2.gz	RAAYOHZFYPJOHC-CMPLNLGQSA-N	0	0	188.270	3.142	10	0		AGAERN
Cc1ccc(C(F)F)c(F)c1	112731887	168802080	/nfs/dbraw/zinc/80/20/80/168802080.db2.gz	LHWJLDARCATNPA-UHFFFAOYSA-N	0	0	160.138	3.072	10	0		AGAERN
Cc1ccc(C(C)C)cc1[C@@H](C)O	77267200	168802166	/nfs/dbraw/zinc/80/21/66/168802166.db2.gz	QXNNAPOMEYEVQV-SNVBAGLBSA-N	0	0	178.275	3.172	10	0		AGAERN
Cc1ccc(C(=O)[C@H]2C[C@H]2C)c(C)c1	34976568	168802508	/nfs/dbraw/zinc/80/25/08/168802508.db2.gz	RAAYOHZFYPJOHC-PWSUYJOCSA-N	0	0	188.270	3.142	10	0		AGAERN
Cc1ccc(C(C)(C)C)cc1C=O	36436977	168802611	/nfs/dbraw/zinc/80/26/11/168802611.db2.gz	SEVJAYNZOOWZBT-UHFFFAOYSA-N	0	0	176.259	3.105	10	0		AGAERN
Cc1ccc(C(=O)[C@@H]2C[C@H]2C)c(C)c1	34976566	168802829	/nfs/dbraw/zinc/80/28/29/168802829.db2.gz	RAAYOHZFYPJOHC-ZYHUDNBSSA-N	0	0	188.270	3.142	10	0		AGAERN
Cc1ccc(C(C)(C)C[C@H](C)O)cc1	39351661	168803004	/nfs/dbraw/zinc/80/30/04/168803004.db2.gz	MMSDBPZRACAXJG-NSHDSACASA-N	0	0	192.302	3.044	10	0		AGAERN
Cc1ccc(C)c(-c2cccnc2)c1	39233536	168803580	/nfs/dbraw/zinc/80/35/80/168803580.db2.gz	XIDYWLKFONVFCW-UHFFFAOYSA-N	0	0	183.254	3.365	10	0		AGAERN
Cc1ccc(C)c(C(=O)[C@H]2C[C@H]2C)c1	36939993	168803802	/nfs/dbraw/zinc/80/38/02/168803802.db2.gz	FWICUTKLUVAFMX-PWSUYJOCSA-N	0	0	188.270	3.142	10	0		AGAERN
Cc1ccc(C)c(-c2ccncc2)c1	47216092	168803870	/nfs/dbraw/zinc/80/38/70/168803870.db2.gz	PNWWXFAIVQKMRT-UHFFFAOYSA-N	0	0	183.254	3.365	10	0		AGAERN
Cc1ccc(C)c(C(C)(C)C)c1O	6070721	168803939	/nfs/dbraw/zinc/80/39/39/168803939.db2.gz	PJDIFJZYWQETDT-UHFFFAOYSA-N	0	0	178.275	3.307	10	0		AGAERN
Cc1ccc(C)c(-c2cncc(O)c2)c1	65337709	168804238	/nfs/dbraw/zinc/80/42/38/168804238.db2.gz	AJYYWWQPFMLFJQ-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1ccc(C)c(-c2ccc(O)cn2)c1	65355640	168804433	/nfs/dbraw/zinc/80/44/33/168804433.db2.gz	ZFXJIRASOXMMKK-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1ccc(C)c([C@H](CO)C(C)C)c1	41206017	168804779	/nfs/dbraw/zinc/80/47/79/168804779.db2.gz	BINARTUYPVCDNN-CYBMUJFWSA-N	0	0	192.302	3.035	10	0		AGAERN
Cc1ccc(C)c([C@H](O)C(C)(C)C)c1	40248372	168805164	/nfs/dbraw/zinc/80/51/64/168805164.db2.gz	KIZJQNSSMPLFBV-LBPRGKRZSA-N	0	0	192.302	3.383	10	0		AGAERN
Cc1ccc(C)c([C@@H](O)CC2CC2)c1	49731787	168806146	/nfs/dbraw/zinc/80/61/46/168806146.db2.gz	OMVJZTSKWDZJLE-ZDUSSCGKSA-N	0	0	190.286	3.137	10	0		AGAERN
Cc1ccc(C)c2c1CCCCN2	57935912	168806384	/nfs/dbraw/zinc/80/63/84/168806384.db2.gz	SXKBYZZXVPFAAU-UHFFFAOYSA-N	0	0	175.275	3.052	10	0		AGAERN
Cc1ccc(C)c([C@H]2CCC(=O)C2)c1	70738123	168806536	/nfs/dbraw/zinc/80/65/36/168806536.db2.gz	QICFSDJWXUXADK-NSHDSACASA-N	0	0	188.270	3.140	10	0		AGAERN
Cc1ccc(C)c2c(C)ccnc12	34542347	168806625	/nfs/dbraw/zinc/80/66/25/168806625.db2.gz	GCFZDRQMIAUFML-UHFFFAOYSA-N	0	0	171.243	3.160	10	0		AGAERN
Cc1ccc(C)c([C@H]2CCCO2)c1	49805355	168806845	/nfs/dbraw/zinc/80/68/45/168806845.db2.gz	GKLYCSXFYWAZFR-GFCCVEGCSA-N	0	0	176.259	3.155	10	0		AGAERN
Cc1ccc(C)c2c(C)[nH]c(C)c12	146714319	168807411	/nfs/dbraw/zinc/80/74/11/168807411.db2.gz	PDENJZYMZXMITD-UHFFFAOYSA-N	0	0	173.259	3.402	10	0		AGAERN
Cc1ccc(C)c2c1C=C[C@H](C)N2	71479805	168807591	/nfs/dbraw/zinc/80/75/91/168807591.db2.gz	ZSWWHCZTPCHIOJ-JTQLQIEISA-N	0	0	173.259	3.131	10	0		AGAERN
Cc1ccc(C)n1[C@@H](C)c1ccco1	35739947	168807955	/nfs/dbraw/zinc/80/79/55/168807955.db2.gz	JWTTVWKLIDIUEV-NSHDSACASA-N	0	0	189.258	3.307	10	0		AGAERN
Cc1ccc(C=C2CC2)cc1	67734213	168808214	/nfs/dbraw/zinc/80/82/14/168808214.db2.gz	NGPXSZNXZRTGNG-UHFFFAOYSA-N	0	0	144.217	3.172	10	0		AGAERN
Cc1ccc(C)n1[C@H]1CC1(C)C	45136615	168808254	/nfs/dbraw/zinc/80/82/54/168808254.db2.gz	WFCHFHYUEDXZEU-JTQLQIEISA-N	0	0	163.264	3.076	10	0		AGAERN
Cc1ccc(C)n1[C@@H]1CC1(C)C	45136614	168808961	/nfs/dbraw/zinc/80/89/61/168808961.db2.gz	WFCHFHYUEDXZEU-SNVBAGLBSA-N	0	0	163.264	3.076	10	0		AGAERN
Cc1ccc(C)n1C[C@@H]1CC=CCC1	45630954	168809096	/nfs/dbraw/zinc/80/90/96/168809096.db2.gz	VLAVDGFQWFUDPK-CYBMUJFWSA-N	0	0	189.302	3.461	10	0		AGAERN
Cc1ccc(CC(F)(F)F)c(F)c1	96102650	168809661	/nfs/dbraw/zinc/80/96/61/168809661.db2.gz	UJAYEIZHJCDBBB-UHFFFAOYSA-N	0	0	192.155	3.239	10	0		AGAERN
Cc1ccc(CCC(C)(C)O)c(C)c1	49806913	168809949	/nfs/dbraw/zinc/80/99/49/168809949.db2.gz	HQISFNQROMXCGJ-UHFFFAOYSA-N	0	0	192.302	3.007	10	0		AGAERN
Cc1ccc(CC(=O)CC(C)C)cc1	32008314	168809971	/nfs/dbraw/zinc/80/99/71/168809971.db2.gz	BWQBRHDVGPMNOG-UHFFFAOYSA-N	0	0	190.286	3.153	10	0		AGAERN
Cc1ccc(CO)cc1-c1ccccc1	49811882	168816150	/nfs/dbraw/zinc/81/61/50/168816150.db2.gz	ALEXWIAGYUJSFY-UHFFFAOYSA-N	0	0	198.265	3.154	10	0		AGAERN
Cc1ccc(Cc2cnccc2C)cc1	90378264	168817245	/nfs/dbraw/zinc/81/72/45/168817245.db2.gz	MRDUXSUBIWXCBT-UHFFFAOYSA-N	0	0	197.281	3.289	10	0		AGAERN
Cc1ccc(Cl)c(OC2CC2)c1	95724656	168817878	/nfs/dbraw/zinc/81/78/78/168817878.db2.gz	CJAHPARCVYXMCK-UHFFFAOYSA-N	0	0	182.650	3.190	10	0		AGAERN
Cc1ccc(Cl)cc1C(=O)C1CC1	49811404	168818976	/nfs/dbraw/zinc/81/89/76/168818976.db2.gz	HCEZKZKIYAAQRP-UHFFFAOYSA-N	0	0	194.661	3.241	10	0		AGAERN
Cc1ccc(F)cc1[C@@H](O)C(C)(C)C	52231818	168821061	/nfs/dbraw/zinc/82/10/61/168821061.db2.gz	SXFLMVILANWQRA-LLVKDONJSA-N	0	0	196.265	3.214	10	0		AGAERN
Cc1ccc(N)c(C2CCCC2)c1	60068547	168821720	/nfs/dbraw/zinc/82/17/20/168821720.db2.gz	YQONUVFOQFCCJL-UHFFFAOYSA-N	0	0	175.275	3.235	10	0		AGAERN
Cc1ccc(N)c([C@@H]2CCCS2)c1	75581497	168822049	/nfs/dbraw/zinc/82/20/49/168822049.db2.gz	CFNYGEWCDPVQPI-NSHDSACASA-N	0	0	193.315	3.145	10	0		AGAERN
Cc1ccc(N(N=O)C(C)(C)C)cc1	32303158	168822290	/nfs/dbraw/zinc/82/22/90/168822290.db2.gz	SFARTXTUMBVPRJ-UHFFFAOYSA-N	0	0	192.262	3.281	10	0		AGAERN
Cc1ccc(NCC(C)(C)C)c(N)c1	40494624	168826006	/nfs/dbraw/zinc/82/60/06/168826006.db2.gz	HISJZTQLXPWFOR-UHFFFAOYSA-N	0	0	192.306	3.035	10	0		AGAERN
Cc1ccc(NC2(C)CCCC2)nc1	42187752	168826349	/nfs/dbraw/zinc/82/63/49/168826349.db2.gz	BBPVJOPESZOVRZ-UHFFFAOYSA-N	0	0	190.290	3.135	10	0		AGAERN
Cc1ccc(OC/C=C/Cl)cc1	39644636	168828816	/nfs/dbraw/zinc/82/88/16/168828816.db2.gz	AAOHXVUURPSMLI-FARCUNLSSA-N	0	0	182.650	3.126	10	0		AGAERN
Cc1ccc(SC(C)C)c(O)c1	71454509	168833052	/nfs/dbraw/zinc/83/30/52/168833052.db2.gz	WGHQYBOSWALJGU-UHFFFAOYSA-N	0	0	182.288	3.201	10	0		AGAERN
Cc1ccc(Oc2ccccc2)cn1	27102381	168833191	/nfs/dbraw/zinc/83/31/91/168833191.db2.gz	VRLTULMKPCVWCK-UHFFFAOYSA-N	0	0	185.226	3.182	10	0		AGAERN
Cc1ccc(SC(C)C)c(C=O)c1	83227729	168833648	/nfs/dbraw/zinc/83/36/48/168833648.db2.gz	GOPICIZSNYIRQZ-UHFFFAOYSA-N	0	0	194.299	3.308	10	0		AGAERN
Cc1ccc(SC(C)C)c(N)c1	37193256	168834142	/nfs/dbraw/zinc/83/41/42/168834142.db2.gz	SYJHVHGBKQOSED-UHFFFAOYSA-N	0	0	181.304	3.078	10	0		AGAERN
Cc1ccc(SC(C)C)cc1N	61702105	168834230	/nfs/dbraw/zinc/83/42/30/168834230.db2.gz	VBUACBBCDBAKCD-UHFFFAOYSA-N	0	0	181.304	3.078	10	0		AGAERN
Cc1ccc([C@@H](CO)C(C)C)c(C)c1	41206024	168836025	/nfs/dbraw/zinc/83/60/25/168836025.db2.gz	VMXBAMSNVSWWBD-ZDUSSCGKSA-N	0	0	192.302	3.035	10	0		AGAERN
Cc1ccc([C@@H]2CCC(=O)C2)c(C)c1	70738307	168837040	/nfs/dbraw/zinc/83/70/40/168837040.db2.gz	ZKGLBSPFFQNWQP-LLVKDONJSA-N	0	0	188.270	3.140	10	0		AGAERN
Cc1ccc([C@@H](O)C2=CCCC2)cc1	50329339	168837101	/nfs/dbraw/zinc/83/71/01/168837101.db2.gz	XNKMYGQBJCOPBO-ZDUSSCGKSA-N	0	0	188.270	3.139	10	0		AGAERN
Cc1ccc([C@@H](O)C2CCC2)c(C)c1	36156597	168837216	/nfs/dbraw/zinc/83/72/16/168837216.db2.gz	QCWCYVIIYGBJKT-ZDUSSCGKSA-N	0	0	190.286	3.137	10	0		AGAERN
Cc1ccc([C@@H]2CCC(=O)C2)cc1C	70738063	168837343	/nfs/dbraw/zinc/83/73/43/168837343.db2.gz	OCGKBTXSLYEFIR-GFCCVEGCSA-N	0	0	188.270	3.140	10	0		AGAERN
Cc1ccc([C@@H](O)C2CCCCC2)o1	34583355	168837600	/nfs/dbraw/zinc/83/76/00/168837600.db2.gz	IUOZHRAGXVKOEU-LBPRGKRZSA-N	0	0	194.274	3.202	10	0		AGAERN
Cc1ccc([C@@H](O)C(C)(C)C)c(C)c1	40245909	168837743	/nfs/dbraw/zinc/83/77/43/168837743.db2.gz	PXKCTIHTKYOUBI-GFCCVEGCSA-N	0	0	192.302	3.383	10	0		AGAERN
Cc1ccc([C@@H](O)CC2CC2)cc1C	49731653	168837839	/nfs/dbraw/zinc/83/78/39/168837839.db2.gz	XEMTUEAFTLVTTG-ZDUSSCGKSA-N	0	0	190.286	3.137	10	0		AGAERN
Cc1ccc([C@@H]2C=CCC2)c(N)c1	75563782	168837871	/nfs/dbraw/zinc/83/78/71/168837871.db2.gz	PWGSNTJJCUGYOG-SNVBAGLBSA-N	0	0	173.259	3.011	10	0		AGAERN
Cc1ccc([C@@H]2OCCCS2)cc1	2385334	168839070	/nfs/dbraw/zinc/83/90/70/168839070.db2.gz	AAKYMQKPPMFDSD-LLVKDONJSA-N	0	0	194.299	3.147	10	0		AGAERN
Cc1ccc([C@H](O)C(C)(C)C)cc1C	40241818	168841518	/nfs/dbraw/zinc/84/15/18/168841518.db2.gz	AMASXEXYWSIMEF-LBPRGKRZSA-N	0	0	192.302	3.383	10	0		AGAERN
Cc1ccc([C@H]2CCC(=O)C2)cc1C	70738065	168841638	/nfs/dbraw/zinc/84/16/38/168841638.db2.gz	OCGKBTXSLYEFIR-LBPRGKRZSA-N	0	0	188.270	3.140	10	0		AGAERN
Cc1ccc([C@H](O)CC2CC2)cc1C	49731651	168841819	/nfs/dbraw/zinc/84/18/19/168841819.db2.gz	XEMTUEAFTLVTTG-CYBMUJFWSA-N	0	0	190.286	3.137	10	0		AGAERN
Cc1ccc([C@H](O)C(C)(C)C)s1	40242272	168842155	/nfs/dbraw/zinc/84/21/55/168842155.db2.gz	ZASCDPQEXDJPLV-VIFPVBQESA-N	0	0	184.304	3.136	10	0		AGAERN
Cc1ccc([C@H](O)C2=CCCCC2)o1	50328885	168842285	/nfs/dbraw/zinc/84/22/85/168842285.db2.gz	CVJJSHTZETUJOT-GFCCVEGCSA-N	0	0	192.258	3.122	10	0		AGAERN
Cc1ccc([C@H](O)C2CCCCC2)o1	34583354	168842596	/nfs/dbraw/zinc/84/25/96/168842596.db2.gz	IUOZHRAGXVKOEU-GFCCVEGCSA-N	0	0	194.274	3.202	10	0		AGAERN
Cc1ccc([C@H]2OCCCS2)cc1	5746634	168844550	/nfs/dbraw/zinc/84/45/50/168844550.db2.gz	AAKYMQKPPMFDSD-NSHDSACASA-N	0	0	194.299	3.147	10	0		AGAERN
Cc1ccc2c(C)cn(C)c2c1C	82587725	168845808	/nfs/dbraw/zinc/84/58/08/168845808.db2.gz	JUZXMJKOXSPCHO-UHFFFAOYSA-N	0	0	173.259	3.104	10	0		AGAERN
Cc1ccc2c(C)c(C=O)oc2c1C	30714545	168846917	/nfs/dbraw/zinc/84/69/17/168846917.db2.gz	JVNQLQQBSUDGFD-UHFFFAOYSA-N	0	0	188.226	3.171	10	0		AGAERN
Cc1ccc2c(c1)C(=O)C[C@H]2C(C)C	41204240	168847646	/nfs/dbraw/zinc/84/76/46/168847646.db2.gz	OTCCYJBQUKYJCW-NSHDSACASA-N	0	0	188.270	3.321	10	0		AGAERN
Cc1ccc2c(c1)C(=O)C[C@@H](C)S2	35741326	168847963	/nfs/dbraw/zinc/84/79/63/168847963.db2.gz	RBTMKXZTRMUGLR-MRVPVSSYSA-N	0	0	192.283	3.062	10	0		AGAERN
Cc1ccc2c(c1)C(=O)C[C@@H]2C(C)C	41204238	168848725	/nfs/dbraw/zinc/84/87/25/168848725.db2.gz	OTCCYJBQUKYJCW-LLVKDONJSA-N	0	0	188.270	3.321	10	0		AGAERN
Cc1ccc2c(c1)N=C(Cl)[C@@H](C)O2	75422724	168848901	/nfs/dbraw/zinc/84/89/01/168848901.db2.gz	CNFWFNYEPNRDLU-SSDOTTSWSA-N	0	0	195.649	3.045	10	0		AGAERN
Cc1ccc2c(c1)CCC(C)(C)O2	34618315	168848919	/nfs/dbraw/zinc/84/89/19/168848919.db2.gz	VXXGNQXVRVNCGY-UHFFFAOYSA-N	0	0	176.259	3.099	10	0		AGAERN
Cc1ccc2c(c1)O[C@@H](C)C(Cl)=N2	75422726	168849309	/nfs/dbraw/zinc/84/93/09/168849309.db2.gz	VYDOTRZMFKSNAQ-ZETCQYMHSA-N	0	0	195.649	3.045	10	0		AGAERN
Cc1ccc2c(c1)N=C(Cl)[C@H](C)O2	75422723	168850621	/nfs/dbraw/zinc/85/06/21/168850621.db2.gz	CNFWFNYEPNRDLU-ZETCQYMHSA-N	0	0	195.649	3.045	10	0		AGAERN
Cc1ccc2c(c1)[C@H](C1CC1)CCN2	82391614	168852249	/nfs/dbraw/zinc/85/22/49/168852249.db2.gz	WILHAMWRTQVBBE-NSHDSACASA-N	0	0	187.286	3.304	10	0		AGAERN
Cc1ccc2c3c([nH]c2c1)CCCC3	59367007	168853388	/nfs/dbraw/zinc/85/33/88/168853388.db2.gz	SNFQRXLISIQTHH-UHFFFAOYSA-N	0	0	185.270	3.355	10	0		AGAERN
Cc1ccc2nc(C(C)C)cnc2c1	38672159	168855291	/nfs/dbraw/zinc/85/52/91/168855291.db2.gz	RXPHJNVIGAJPTA-UHFFFAOYSA-N	0	0	186.258	3.062	10	0		AGAERN
Cc1ccc2cscc2c1	197375115	168855682	/nfs/dbraw/zinc/85/56/82/168855682.db2.gz	OABGEEWYLROVFX-UHFFFAOYSA-N	0	0	148.230	3.210	10	0		AGAERN
Cc1ccc2oc(C(F)F)nc2c1	95930799	168857547	/nfs/dbraw/zinc/85/75/47/168857547.db2.gz	VIKAKWARTNDSIA-UHFFFAOYSA-N	0	0	183.157	3.074	10	0		AGAERN
Cc1ccc2oc(C)c(C)c2c1	6071359	168857748	/nfs/dbraw/zinc/85/77/48/168857748.db2.gz	ZYKGZCXVJHBECP-UHFFFAOYSA-N	0	0	160.216	3.358	10	0		AGAERN
Cc1cccc(-c2nccs2)c1F	75899149	168858486	/nfs/dbraw/zinc/85/84/86/168858486.db2.gz	HJZRLTUCYBFFEK-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
Cc1cccc(-c2ccco2)c1	16946805	168858610	/nfs/dbraw/zinc/85/86/10/168858610.db2.gz	IYNRBNBBOCKFBQ-UHFFFAOYSA-N	0	0	158.200	3.255	10	0		AGAERN
Cc1cccc(-c2cncc(O)c2)c1C	65337700	168859003	/nfs/dbraw/zinc/85/90/03/168859003.db2.gz	JNXWDAHIYPTBQX-UHFFFAOYSA-N	0	0	199.253	3.071	10	0		AGAERN
Cc1cccc(-c2cc(C)ccn2)c1	21994568	168859555	/nfs/dbraw/zinc/85/95/55/168859555.db2.gz	YFOMNGOCTSDTAF-UHFFFAOYSA-N	0	0	183.254	3.365	10	0		AGAERN
Cc1cccc(C(C)C)c1C	75839315	168862866	/nfs/dbraw/zinc/86/28/66/168862866.db2.gz	GDEQPEBFOWYWSA-UHFFFAOYSA-N	0	0	148.249	3.427	10	0		AGAERN
Cc1cccc(CCn2cccc2)c1	51670786	168865787	/nfs/dbraw/zinc/86/57/87/168865787.db2.gz	MWQZYYPFRJYYMC-UHFFFAOYSA-N	0	0	185.270	3.039	10	0		AGAERN
Cc1cccc(F)c1C(F)F	112731891	168868322	/nfs/dbraw/zinc/86/83/22/168868322.db2.gz	BSIFMFYCGFCNQK-UHFFFAOYSA-N	0	0	160.138	3.072	10	0		AGAERN
Cc1cccc(NCCC(C)C)c1N	83341858	168870007	/nfs/dbraw/zinc/87/00/07/168870007.db2.gz	SNOXRIMZNCCCTM-UHFFFAOYSA-N	0	0	192.306	3.035	10	0		AGAERN
Cc1cccc(O)c1NCCC(C)C	83342003	168870557	/nfs/dbraw/zinc/87/05/57/168870557.db2.gz	UBYRKHDXUPMDBE-UHFFFAOYSA-N	0	0	193.290	3.159	10	0		AGAERN
Cc1cccc([C@@H](O)C2=CCCC2)c1	50329056	168872193	/nfs/dbraw/zinc/87/21/93/168872193.db2.gz	PSZPBAPHOHGYIF-ZDUSSCGKSA-N	0	0	188.270	3.139	10	0		AGAERN
Cc1cccc([C@@H](O)CC(C)C)c1	37465309	168872803	/nfs/dbraw/zinc/87/28/03/168872803.db2.gz	PDWFANLREIVKOO-LBPRGKRZSA-N	0	0	178.275	3.075	10	0		AGAERN
Cc1cccc([C@H](O)C(C)(C)C)c1C	41206089	168873823	/nfs/dbraw/zinc/87/38/23/168873823.db2.gz	XMDYVCXWONIANZ-LBPRGKRZSA-N	0	0	192.302	3.383	10	0		AGAERN
Cc1cccc([C@H](O)CC(C)C)c1C	41206087	168874203	/nfs/dbraw/zinc/87/42/03/168874203.db2.gz	DGJFNKZTXCZDRJ-CYBMUJFWSA-N	0	0	192.302	3.383	10	0		AGAERN
Cc1cccc([C@H](O)C2=CCCC2)c1	50329055	168874394	/nfs/dbraw/zinc/87/43/94/168874394.db2.gz	PSZPBAPHOHGYIF-CYBMUJFWSA-N	0	0	188.270	3.139	10	0		AGAERN
Cc1cccc([C@H]2C=CCC2)c1N	34519061	168874834	/nfs/dbraw/zinc/87/48/34/168874834.db2.gz	HJYBRKUWFUFNPM-JTQLQIEISA-N	0	0	173.259	3.011	10	0		AGAERN
Cc1cccc2c1N[C@H]1CCCC[C@H]21	71484318	168880232	/nfs/dbraw/zinc/88/02/32/168880232.db2.gz	NZDUVBJEVKOEOD-PWSUYJOCSA-N	0	0	187.286	3.447	10	0		AGAERN
Cc1ccccc1-c1ccc(NO)cc1	6071970	168880947	/nfs/dbraw/zinc/88/09/47/168880947.db2.gz	IALHZLAYFAUKPC-UHFFFAOYSA-N	0	0	199.253	3.463	10	0		AGAERN
Cc1cccc2scc(C=O)c12	82320913	168881465	/nfs/dbraw/zinc/88/14/65/168881465.db2.gz	VHWXICJXRPJKMS-UHFFFAOYSA-N	0	0	176.240	3.022	10	0		AGAERN
Cc1cccc2nc(Cl)ccc12	38879992	168881661	/nfs/dbraw/zinc/88/16/61/168881661.db2.gz	OPQRSEDPFIFKAS-UHFFFAOYSA-N	0	0	177.634	3.197	10	0		AGAERN
Cc1cccc2nc(C(C)C)oc12	62498601	168882110	/nfs/dbraw/zinc/88/21/10/168882110.db2.gz	HDFJTLYLWZHKNW-UHFFFAOYSA-N	0	0	175.231	3.260	10	0		AGAERN
Cc1ccccc1C1=CCC(=O)S1	103628088	168882396	/nfs/dbraw/zinc/88/23/96/168882396.db2.gz	OGRZWTNSHGMBHO-UHFFFAOYSA-N	0	0	190.267	3.429	10	0		AGAERN
Cc1ccccc1-c1cscc1N	49806483	168882811	/nfs/dbraw/zinc/88/28/11/168882811.db2.gz	XUIUZNKRQSENBN-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
Cc1ccccc1C1=CSC(=O)C1	103628055	168883005	/nfs/dbraw/zinc/88/30/05/168883005.db2.gz	OQJMUCIGMAIHOR-UHFFFAOYSA-N	0	0	190.267	3.429	10	0		AGAERN
Cc1ccccc1-c1scnc1C	58521033	168883109	/nfs/dbraw/zinc/88/31/09/168883109.db2.gz	XRHJCQAYGCPLRI-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
Cc1ccccc1-c1cscn1	1520203	168883386	/nfs/dbraw/zinc/88/33/86/168883386.db2.gz	CNBYWKDNPFEMQB-UHFFFAOYSA-N	0	0	175.256	3.119	10	0		AGAERN
Cc1cccnc1-c1ccccc1F	47204864	168884467	/nfs/dbraw/zinc/88/44/67/168884467.db2.gz	GDMIUBOIIWHYGZ-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1ccnc(Oc2ccccc2)c1	39647265	168889982	/nfs/dbraw/zinc/88/99/82/168889982.db2.gz	FRCWIEBSTHUNJF-UHFFFAOYSA-N	0	0	185.226	3.182	10	0		AGAERN
Cc1ccnc(N[C@@H](C)CC(C)C)c1	43561448	168890591	/nfs/dbraw/zinc/89/05/91/168890591.db2.gz	DECGZMWYJKUTPX-NSHDSACASA-N	0	0	192.306	3.237	10	0		AGAERN
Cc1ccncc1-c1ccccc1F	47204874	168891874	/nfs/dbraw/zinc/89/18/74/168891874.db2.gz	KGLQPXXXYXRSQK-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1ccoc1[C@@H](O)C1=CCCCC1	50328874	168894787	/nfs/dbraw/zinc/89/47/87/168894787.db2.gz	UOWHDGXPYYCWLW-NSHDSACASA-N	0	0	192.258	3.122	10	0		AGAERN
Cc1ccsc1[C@@H](O)C1=CCCC1	50329195	168894806	/nfs/dbraw/zinc/89/48/06/168894806.db2.gz	ODNVZHOISZDKGV-JTQLQIEISA-N	0	0	194.299	3.200	10	0		AGAERN
Cc1ccsc1-c1ccc(N)cc1	42736007	168894940	/nfs/dbraw/zinc/89/49/40/168894940.db2.gz	FJYKCIVUNYQLDO-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
Cc1cn(C)c2cc(Cl)ccc12	82587950	168896564	/nfs/dbraw/zinc/89/65/64/168896564.db2.gz	FAWXBENIXCXXJU-UHFFFAOYSA-N	0	0	179.650	3.140	10	0		AGAERN
Cc1ccsc1[C@H](O)C1=CCCC1	50329194	168896783	/nfs/dbraw/zinc/89/67/83/168896783.db2.gz	ODNVZHOISZDKGV-SNVBAGLBSA-N	0	0	194.299	3.200	10	0		AGAERN
Cc1cn(C)c2c(Cl)cccc12	82587949	168897082	/nfs/dbraw/zinc/89/70/82/168897082.db2.gz	UAISBJBTNBRYRG-UHFFFAOYSA-N	0	0	179.650	3.140	10	0		AGAERN
Cc1cnc(-c2cccs2)s1	34115751	168900505	/nfs/dbraw/zinc/90/05/05/168900505.db2.gz	BRSNEVDRFLHONJ-UHFFFAOYSA-N	0	0	181.285	3.180	10	0		AGAERN
Cc1cnc(F)c(-c2ccccc2)c1	47207660	168904276	/nfs/dbraw/zinc/90/42/76/168904276.db2.gz	XJBTVYUQVFYDFK-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1cnc(Nc2ccccc2)s1	336414	168907752	/nfs/dbraw/zinc/90/77/52/168907752.db2.gz	JBGWUADIIGVZPF-UHFFFAOYSA-N	0	0	190.271	3.195	10	0		AGAERN
Cc1coc([C@H](C)c2ccccc2)n1	75842334	168918654	/nfs/dbraw/zinc/91/86/54/168918654.db2.gz	DIDMOBVYNUJEKZ-SNVBAGLBSA-N	0	0	187.242	3.135	10	0		AGAERN
Cc1csc(-c2ccccn2)c1	95934909	168919402	/nfs/dbraw/zinc/91/94/02/168919402.db2.gz	XSKICDGAYDHMIA-UHFFFAOYSA-N	0	0	175.256	3.119	10	0		AGAERN
Cc1cocc1-c1ccccc1	104835953	168919528	/nfs/dbraw/zinc/91/95/28/168919528.db2.gz	MPRAACWFUKRKOI-UHFFFAOYSA-N	0	0	158.200	3.255	10	0		AGAERN
Cc1csc(NC2(C)CCCC2)n1	42187740	168920356	/nfs/dbraw/zinc/92/03/56/168920356.db2.gz	PWOORMPPZPSTHI-UHFFFAOYSA-N	0	0	196.319	3.196	10	0		AGAERN
Cc1csc2nc(C(C)(C)C)cn12	343101	168921905	/nfs/dbraw/zinc/92/19/05/168921905.db2.gz	FLOBBDKTNMODKI-UHFFFAOYSA-N	0	0	194.303	3.002	10	0		AGAERN
Cc1nc(C)c(-c2ccco2)s1	58519371	168933878	/nfs/dbraw/zinc/93/38/78/168933878.db2.gz	WICNRKMWGQMGRJ-UHFFFAOYSA-N	0	0	179.244	3.020	10	0		AGAERN
Cc1nc(C)c(-c2cccs2)o1	58519375	168933914	/nfs/dbraw/zinc/93/39/14/168933914.db2.gz	FHCVILUUSGGTLU-UHFFFAOYSA-N	0	0	179.244	3.020	10	0		AGAERN
Cc1nc(C2CCCCC2)sc1N	50309562	168937540	/nfs/dbraw/zinc/93/75/40/168937540.db2.gz	GMKBSUHZJMVYJC-UHFFFAOYSA-N	0	0	196.319	3.081	10	0		AGAERN
Cc1nc2c(C)ccc(Cl)c2o1	62520191	168952202	/nfs/dbraw/zinc/95/22/02/168952202.db2.gz	FLAYGOQNRNCMQU-UHFFFAOYSA-N	0	0	181.622	3.098	10	0		AGAERN
Cc1nc2cc(CC(C)C)ccc2o1	62520601	168956144	/nfs/dbraw/zinc/95/61/44/168956144.db2.gz	PINMYHLTADZWQC-UHFFFAOYSA-N	0	0	189.258	3.335	10	0		AGAERN
Cc1nc2cc(Cl)cc(C)c2o1	62520185	168956622	/nfs/dbraw/zinc/95/66/22/168956622.db2.gz	KTIGCHUVDDOZAA-UHFFFAOYSA-N	0	0	181.622	3.098	10	0		AGAERN
Cc1nc2cc3c(cc2o1)CCCC3	62520481	168957117	/nfs/dbraw/zinc/95/71/17/168957117.db2.gz	KYYVLIPKXLSJSS-UHFFFAOYSA-N	0	0	187.242	3.015	10	0		AGAERN
Cc1nc2cc(F)ccc2n1C(C)C	76210182	168957199	/nfs/dbraw/zinc/95/71/99/168957199.db2.gz	HYDOYTXMXVHBAY-UHFFFAOYSA-N	0	0	192.237	3.065	10	0		AGAERN
Cc1nc2sc3ccccc3c2[nH]1	241929	168962395	/nfs/dbraw/zinc/96/23/95/168962395.db2.gz	JJACWUKFWSTZPG-UHFFFAOYSA-N	0	0	188.255	3.086	10	0		AGAERN
Cc1nccc2c1[nH]c1cccc(C)c12	13587077	168971554	/nfs/dbraw/zinc/97/15/54/168971554.db2.gz	LWSZZXCLYATSFV-UHFFFAOYSA-N	0	0	196.253	3.333	10	0		AGAERN
Cc1nccc2c3ccccc3n(C)c12	38812092	168971621	/nfs/dbraw/zinc/97/16/21/168971621.db2.gz	LQSZHLJVECITAY-UHFFFAOYSA-N	0	0	196.253	3.035	10	0	biogenic	AGAERN
Cc1ncoc1-c1cccc(Cl)c1	57489172	168979932	/nfs/dbraw/zinc/97/99/32/168979932.db2.gz	VNTWJMXGJXNAGD-UHFFFAOYSA-N	0	0	193.633	3.303	10	0		AGAERN
Cc1noc(NCCC(C)(C)C)c1C	83342590	169001863	/nfs/dbraw/zinc/00/18/63/169001863.db2.gz	HGLOBBXTEJWRSX-UHFFFAOYSA-N	0	0	196.294	3.140	10	0		AGAERN
Cc1oc(C)c2ccccc12	39298309	169006951	/nfs/dbraw/zinc/00/69/51/169006951.db2.gz	OGPQLRAVDCGWTM-UHFFFAOYSA-N	0	0	146.189	3.050	10	0		AGAERN
Cc1nsc2cccc(Cl)c12	976696	169007927	/nfs/dbraw/zinc/00/79/27/169007927.db2.gz	MUHRGAUKQMINQC-UHFFFAOYSA-N	0	0	183.663	3.258	10	0		AGAERN
Cc1oc2ccc(F)cc2c1C	39136419	169008549	/nfs/dbraw/zinc/00/85/49/169008549.db2.gz	MVURCDPTBWSBFG-UHFFFAOYSA-N	0	0	164.179	3.189	10	0		AGAERN
Cc1oc2c(F)cccc2c1C	39136418	169008821	/nfs/dbraw/zinc/00/88/21/169008821.db2.gz	PQANKKCLFNSMSL-UHFFFAOYSA-N	0	0	164.179	3.189	10	0		AGAERN
Cc1oc2cccc(C)c2c1C	6071784	169009628	/nfs/dbraw/zinc/00/96/28/169009628.db2.gz	PDAZUVFEBAQYCK-UHFFFAOYSA-N	0	0	160.216	3.358	10	0		AGAERN
Cc1oc2cc(O)cc(C)c2c1C	45809547	169009665	/nfs/dbraw/zinc/00/96/65/169009665.db2.gz	CQWXKYXXKAMVER-UHFFFAOYSA-N	0	0	176.215	3.064	10	0		AGAERN
Cc1oc2c(C)cccc2c1C	6071834	169010101	/nfs/dbraw/zinc/01/01/01/169010101.db2.gz	XXDIHDIHRSHLGY-UHFFFAOYSA-N	0	0	160.216	3.358	10	0		AGAERN
Cc1oc2c(C)c(C=O)ccc2c1C	82391418	169010239	/nfs/dbraw/zinc/01/02/39/169010239.db2.gz	ZIEMTAWJSYNYTL-UHFFFAOYSA-N	0	0	188.226	3.171	10	0		AGAERN
Cc1oc2c(C)ccc(C)c2c1C=O	82391413	169010241	/nfs/dbraw/zinc/01/02/41/169010241.db2.gz	WQXJLCSBQATEFW-UHFFFAOYSA-N	0	0	188.226	3.171	10	0		AGAERN
Cc1occc1[C@@H](O)C1=CCCCC1	50328866	169011529	/nfs/dbraw/zinc/01/15/29/169011529.db2.gz	JQMNPXBZMZUMNF-LBPRGKRZSA-N	0	0	192.258	3.122	10	0		AGAERN
Cc1occc1[C@H](O)C1=CCCCC1	50328865	169012100	/nfs/dbraw/zinc/01/21/00/169012100.db2.gz	JQMNPXBZMZUMNF-GFCCVEGCSA-N	0	0	192.258	3.122	10	0		AGAERN
Cc1scc(N)c1C1CCCC1	82395596	169014293	/nfs/dbraw/zinc/01/42/93/169014293.db2.gz	ARCKMIOLGBPOJG-UHFFFAOYSA-N	0	0	181.304	3.296	10	0		AGAERN
Cc1sc2cc(N)ccc2c1C	82870048	169014381	/nfs/dbraw/zinc/01/43/81/169014381.db2.gz	GAXRAFVZGZENHB-UHFFFAOYSA-N	0	0	177.272	3.100	10	0		AGAERN
Cc1sc(N)cc1-c1ccccc1	104076098	169014499	/nfs/dbraw/zinc/01/44/99/169014499.db2.gz	IFMPTBIELULSDM-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
Cc1sc2c(N)cccc2c1C	90412019	169014604	/nfs/dbraw/zinc/01/46/04/169014604.db2.gz	QBQVVDGJEFKDDN-UHFFFAOYSA-N	0	0	177.272	3.100	10	0		AGAERN
Cc1sc(N)c(-c2ccco2)c1C	105555183	169014614	/nfs/dbraw/zinc/01/46/14/169014614.db2.gz	UZCJSNMNDYWRFG-UHFFFAOYSA-N	0	0	193.271	3.207	10	0		AGAERN
Cc1scc(N)c1-c1ccccc1	49806482	169014629	/nfs/dbraw/zinc/01/46/29/169014629.db2.gz	QVVOXTYDZLKYOQ-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
Cc1sc(NC2CC2)nc1C(C)C	61714527	169014633	/nfs/dbraw/zinc/01/46/33/169014633.db2.gz	KPFMJGIAZCYFIM-UHFFFAOYSA-N	0	0	196.319	3.149	10	0		AGAERN
Cc1sc2cc(C=O)ccc2c1C	76634653	169014662	/nfs/dbraw/zinc/01/46/62/169014662.db2.gz	GWKCOKXTKYTYOV-UHFFFAOYSA-N	0	0	190.267	3.331	10	0		AGAERN
Cc1sc(N)cc1C1CCCC1	107094886	169014821	/nfs/dbraw/zinc/01/48/21/169014821.db2.gz	CEQOHQGUZMIVFT-UHFFFAOYSA-N	0	0	181.304	3.296	10	0		AGAERN
Cc1sc(C)c(C(C)C)c1C=O	75576130	169014891	/nfs/dbraw/zinc/01/48/91/169014891.db2.gz	NXHSKIHKONVIRY-UHFFFAOYSA-N	0	0	182.288	3.301	10	0		AGAERN
Cc1sc(N)cc1-c1cccs1	105690261	169014975	/nfs/dbraw/zinc/01/49/75/169014975.db2.gz	RAGZUFMJRJKMOA-UHFFFAOYSA-N	0	0	195.312	3.367	10	0		AGAERN
Cc1sc(C=O)cc1CC(C)C	82395081	169015273	/nfs/dbraw/zinc/01/52/73/169015273.db2.gz	GUZCORIEWGPMBP-UHFFFAOYSA-N	0	0	182.288	3.068	10	0		AGAERN
Cc1sc(C)c2c1SCCC2=O	2385690	169015453	/nfs/dbraw/zinc/01/54/53/169015453.db2.gz	ITKNRMOHIYRCAG-UHFFFAOYSA-N	0	0	198.312	3.043	10	0		AGAERN
Cc1sc(NC(C)C)nc1C(C)C	61714464	169015621	/nfs/dbraw/zinc/01/56/21/169015621.db2.gz	BDQXCEAHCNRRCM-UHFFFAOYSA-N	0	0	198.335	3.395	10	0		AGAERN
Cc1sccc1-c1cccnc1	91364376	169015729	/nfs/dbraw/zinc/01/57/29/169015729.db2.gz	LQKSLFKJUAHJQO-UHFFFAOYSA-N	0	0	175.256	3.119	10	0		AGAERN
Cc1scnc1-c1ccccc1	1448425	169016181	/nfs/dbraw/zinc/01/61/81/169016181.db2.gz	JJQPALVTXOQWGU-UHFFFAOYSA-N	0	0	175.256	3.119	10	0		AGAERN
Cl/C=C1\CCc2ccccc2C1	100046238	169016191	/nfs/dbraw/zinc/01/61/91/169016191.db2.gz	VBDLQYMHGKBSPF-CMDGGOBGSA-N	0	0	178.662	3.298	10	0		AGAERN
Cl/C=C/c1ccc2ccccc2n1	141542871	169016228	/nfs/dbraw/zinc/01/62/28/169016228.db2.gz	DNCAKVDLLVQCLL-BQYQJAHWSA-N	0	0	189.645	3.444	10	0		AGAERN
Cl/C=C\C(Cl)(Cl)Cl	95938358	169016326	/nfs/dbraw/zinc/01/63/26/169016326.db2.gz	GVVUPGXFVJLPDE-UPHRSURJSA-N	0	0	179.861	3.109	10	0		AGAERN
Cl/C=C/C=C/c1ccccc1	66377829	169016672	/nfs/dbraw/zinc/01/66/72/169016672.db2.gz	IBQSWRZSFAZZQG-KBXRYBNXSA-N	0	0	164.635	3.452	10	0		AGAERN
Cl/C=C/CCc1ccccc1	78518897	169016817	/nfs/dbraw/zinc/01/68/17/169016817.db2.gz	UAWVSMAPCUGUAL-WEVVVXLNSA-N	0	0	166.651	3.372	10	0		AGAERN
Clc1ccc(-c2cccs2)cn1	40546562	169021115	/nfs/dbraw/zinc/02/11/15/169021115.db2.gz	UUBLKIWPDWTFON-UHFFFAOYSA-N	0	0	195.674	3.464	10	0		AGAERN
Clc1c[nH]c2c(Cl)cccc12	89204153	169021159	/nfs/dbraw/zinc/02/11/59/169021159.db2.gz	CCHJXWWSSQGTPZ-UHFFFAOYSA-N	0	0	186.041	3.475	10	0		AGAERN
Clc1cc(-c2cccs2)on1	169344212	169021376	/nfs/dbraw/zinc/02/13/76/169021376.db2.gz	UCFFKVGVZFYREG-UHFFFAOYSA-N	0	0	185.635	3.057	10	0		AGAERN
Clc1cc([C@@H]2CCCS2)ccn1	72193285	169021546	/nfs/dbraw/zinc/02/15/46/169021546.db2.gz	JKNAKZQTSDUFKE-QMMMGPOBSA-N	0	0	199.706	3.303	10	0		AGAERN
Clc1cc(Cl)cc([C@@H]2CO2)c1	34069635	169021557	/nfs/dbraw/zinc/02/15/57/169021557.db2.gz	PUIRZUUEOCYTBV-QMMMGPOBSA-N	0	0	189.041	3.065	10	0		AGAERN
Clc1cc2cccccc-2c1	86862194	169021661	/nfs/dbraw/zinc/02/16/61/169021661.db2.gz	VIYSBJPISLKKIU-UHFFFAOYSA-N	0	0	162.619	3.445	10	0		AGAERN
Clc1ccc(-c2cocn2)s1	58520452	169021731	/nfs/dbraw/zinc/02/17/31/169021731.db2.gz	VRUYPRSCTOJCRT-UHFFFAOYSA-N	0	0	185.635	3.057	10	0		AGAERN
Clc1cc(Cl)c2ncoc2c1	62520529	169021843	/nfs/dbraw/zinc/02/18/43/169021843.db2.gz	NTUKYRXCJJOPJU-UHFFFAOYSA-N	0	0	188.013	3.135	10	0		AGAERN
Clc1c[nH]nc1C1CCCCC1	42415129	169021906	/nfs/dbraw/zinc/02/19/06/169021906.db2.gz	YSKUPAWMPWKMAW-UHFFFAOYSA-N	0	0	184.670	3.111	10	0		AGAERN
Clc1cc(Cl)cc([C@H]2CO2)c1	34069636	169021946	/nfs/dbraw/zinc/02/19/46/169021946.db2.gz	PUIRZUUEOCYTBV-MRVPVSSYSA-N	0	0	189.041	3.065	10	0		AGAERN
Clc1cc(C2CCCC2)ccn1	95775762	169022100	/nfs/dbraw/zinc/02/21/00/169022100.db2.gz	GAIASKYHVJZRCN-UHFFFAOYSA-N	0	0	181.666	3.393	10	0		AGAERN
Clc1ccc(-c2cc[nH]c2)cc1	34499859	169022210	/nfs/dbraw/zinc/02/22/10/169022210.db2.gz	YQUKALODYHAYEL-UHFFFAOYSA-N	0	0	177.634	3.335	10	0		AGAERN
Clc1cc([C@H]2CCCS2)ccn1	72193286	169022407	/nfs/dbraw/zinc/02/24/07/169022407.db2.gz	JKNAKZQTSDUFKE-MRVPVSSYSA-N	0	0	199.706	3.303	10	0		AGAERN
Clc1cc(OC2CCCC2)ccn1	82605378	169022443	/nfs/dbraw/zinc/02/24/43/169022443.db2.gz	LNCAAQMJELLIDT-UHFFFAOYSA-N	0	0	197.665	3.056	10	0		AGAERN
Clc1ccc(Cl)c2ocnc12	62520521	169022681	/nfs/dbraw/zinc/02/26/81/169022681.db2.gz	BPEBREXIBXVMCY-UHFFFAOYSA-N	0	0	188.013	3.135	10	0		AGAERN
Clc1ccc2c(c1)CCC[C@H]1O[C@H]21	19796275	169022882	/nfs/dbraw/zinc/02/28/82/169022882.db2.gz	SBLPXWGZYVQOFE-GHMZBOCLSA-N	0	0	194.661	3.116	10	0		AGAERN
Clc1ccc2c(c1)CCC[C@@H]1O[C@H]21	19796279	169022936	/nfs/dbraw/zinc/02/29/36/169022936.db2.gz	SBLPXWGZYVQOFE-WDEREUQCSA-N	0	0	194.661	3.116	10	0		AGAERN
Clc1ccc2ncoc2c1Cl	62520525	169022948	/nfs/dbraw/zinc/02/29/48/169022948.db2.gz	UFAAHNKVMLIPCX-UHFFFAOYSA-N	0	0	188.013	3.135	10	0		AGAERN
Clc1ccc(Cn2cccc2)cc1	35120061	169022950	/nfs/dbraw/zinc/02/29/50/169022950.db2.gz	DOECAUUSROOOOV-UHFFFAOYSA-N	0	0	191.661	3.190	10	0		AGAERN
Clc1ccc([C@@H]2CCCO2)s1	49806344	169023143	/nfs/dbraw/zinc/02/31/43/169023143.db2.gz	MINYWKKEKMHXHJ-LURJTMIESA-N	0	0	188.679	3.253	10	0		AGAERN
Clc1ccc2c(c1)CCC[C@H]1O[C@@H]21	19796273	169023153	/nfs/dbraw/zinc/02/31/53/169023153.db2.gz	SBLPXWGZYVQOFE-MNOVXSKESA-N	0	0	194.661	3.116	10	0		AGAERN
Clc1ccc([C@@H]2CCCO2)cc1	49805801	169023174	/nfs/dbraw/zinc/02/31/74/169023174.db2.gz	SWXNHTMSSUGJAX-JTQLQIEISA-N	0	0	182.650	3.192	10	0		AGAERN
Clc1ccc2c(c1)CCC[C@@H]1O[C@@H]21	19796277	169023365	/nfs/dbraw/zinc/02/33/65/169023365.db2.gz	SBLPXWGZYVQOFE-QWRGUYRKSA-N	0	0	194.661	3.116	10	0		AGAERN
Clc1ccc([C@H]2CCCO2)s1	49806345	169023408	/nfs/dbraw/zinc/02/34/08/169023408.db2.gz	MINYWKKEKMHXHJ-ZCFIWIBFSA-N	0	0	188.679	3.253	10	0		AGAERN
Clc1ccc([C@H]2CCCO2)cc1	49805802	169023610	/nfs/dbraw/zinc/02/36/10/169023610.db2.gz	SWXNHTMSSUGJAX-SNVBAGLBSA-N	0	0	182.650	3.192	10	0		AGAERN
Clc1ccc(Cc2ccc[nH]2)cc1	39386629	169023769	/nfs/dbraw/zinc/02/37/69/169023769.db2.gz	XGOXHHTWVHVHDQ-UHFFFAOYSA-N	0	0	191.661	3.259	10	0		AGAERN
Clc1ccc2oc(C3CC3)nc2c1	35837314	169024286	/nfs/dbraw/zinc/02/42/86/169024286.db2.gz	FUXNIVMDFCTNTF-UHFFFAOYSA-N	0	0	193.633	3.359	10	0		AGAERN
Clc1cccc(C2CCC2)n1	82853330	169024401	/nfs/dbraw/zinc/02/44/01/169024401.db2.gz	LZFYUHACPZDYBT-UHFFFAOYSA-N	0	0	167.639	3.003	10	0		AGAERN
Clc1ccccc1-c1ccccn1	38301798	169024920	/nfs/dbraw/zinc/02/49/20/169024920.db2.gz	FRYZFIKPCCCDCD-UHFFFAOYSA-N	0	0	189.645	3.402	10	0		AGAERN
Clc1cccc(C2CCCC2)n1	82874617	169025010	/nfs/dbraw/zinc/02/50/10/169025010.db2.gz	UPIFYKJZOWABPC-UHFFFAOYSA-N	0	0	181.666	3.393	10	0		AGAERN
Clc1cccc(Cl)c1[C@H]1CO1	38363439	169025169	/nfs/dbraw/zinc/02/51/69/169025169.db2.gz	OABUMCRYAMBARC-SSDOTTSWSA-N	0	0	189.041	3.065	10	0		AGAERN
Clc1ccccc1-c1ccncc1	34087114	169025174	/nfs/dbraw/zinc/02/51/74/169025174.db2.gz	VJNKARHHXUXBIG-UHFFFAOYSA-N	0	0	189.645	3.402	10	0		AGAERN
Clc1cccc(Cl)c1[C@@H]1CO1	38363438	169025275	/nfs/dbraw/zinc/02/52/75/169025275.db2.gz	OABUMCRYAMBARC-ZETCQYMHSA-N	0	0	189.041	3.065	10	0		AGAERN
Clc1ccccc1Cn1cccc1	6095366	169025626	/nfs/dbraw/zinc/02/56/26/169025626.db2.gz	HEQHSFOPJKRGFK-UHFFFAOYSA-N	0	0	191.661	3.190	10	0		AGAERN
Clc1ccccc1-c1cccnc1	34589740	169025763	/nfs/dbraw/zinc/02/57/63/169025763.db2.gz	GYSYWLZDSFTCEP-UHFFFAOYSA-N	0	0	189.645	3.402	10	0		AGAERN
Clc1cccc2nc(C3CC3)oc12	62521949	169025789	/nfs/dbraw/zinc/02/57/89/169025789.db2.gz	SEWLOHHILSOVHF-UHFFFAOYSA-N	0	0	193.633	3.359	10	0		AGAERN
Clc1csc(-c2ccccc2)n1	84672250	169026051	/nfs/dbraw/zinc/02/60/51/169026051.db2.gz	ZGTKMQPVIJKNNM-UHFFFAOYSA-N	0	0	195.674	3.464	10	0		AGAERN
Clc1cnc2oc(C3CC3)cc2c1	104835947	169026417	/nfs/dbraw/zinc/02/64/17/169026417.db2.gz	CYLYGQRBERLVRN-UHFFFAOYSA-N	0	0	193.633	3.359	10	0		AGAERN
Clc1cncc(C2CCC2)c1	211517827	169026420	/nfs/dbraw/zinc/02/64/20/169026420.db2.gz	RXJBHEQKWKYULG-UHFFFAOYSA-N	0	0	167.639	3.003	10	0		AGAERN
Clc1cncc(C2CCCCC2)n1	95775819	169026975	/nfs/dbraw/zinc/02/69/75/169026975.db2.gz	SOGMUPNJPFCRHO-UHFFFAOYSA-N	0	0	196.681	3.178	10	0		AGAERN
Clc1sccc1-c1cccnc1	47217420	169027824	/nfs/dbraw/zinc/02/78/24/169027824.db2.gz	YTZRGZCJJPDAJM-UHFFFAOYSA-N	0	0	195.674	3.464	10	0		AGAERN
Clc1ncccc1-c1cccs1	41207209	169028222	/nfs/dbraw/zinc/02/82/22/169028222.db2.gz	BDPZNXQMCWZPSW-UHFFFAOYSA-N	0	0	195.674	3.464	10	0		AGAERN
Clc1ncc(C2CCCCC2)cn1	72192098	169028248	/nfs/dbraw/zinc/02/82/48/169028248.db2.gz	QEJXRJUEPYEFTC-UHFFFAOYSA-N	0	0	196.681	3.178	10	0		AGAERN
Clc1nccc(C2CCCCC2)n1	72191785	169028474	/nfs/dbraw/zinc/02/84/74/169028474.db2.gz	NAMOMEXNHADNNA-UHFFFAOYSA-N	0	0	196.681	3.178	10	0		AGAERN
Clc1sccc1-c1ccncc1	47217422	169028483	/nfs/dbraw/zinc/02/84/83/169028483.db2.gz	XDQMGCMTNALMOR-UHFFFAOYSA-N	0	0	195.674	3.464	10	0		AGAERN
Cn1cc(-c2cc[nH]c2)c2ccccc21	45165729	169034250	/nfs/dbraw/zinc/03/42/50/169034250.db2.gz	FAVMQEIFRRNFKV-UHFFFAOYSA-N	0	0	196.253	3.173	10	0		AGAERN
Cn1cc(-c2ccc[nH]2)c2ccccc21	196197795	169034834	/nfs/dbraw/zinc/03/48/34/169034834.db2.gz	BVJJAEVXXFNWRY-UHFFFAOYSA-N	0	0	196.253	3.173	10	0		AGAERN
Cn1ccc(-c2cccc(Cl)c2)c1	29131045	169043317	/nfs/dbraw/zinc/04/33/17/169043317.db2.gz	PZEXBZWRIBJAEL-UHFFFAOYSA-N	0	0	191.661	3.346	10	0		AGAERN
Cn1ccc(-c2ccc(Cl)cc2)c1	29131144	169043601	/nfs/dbraw/zinc/04/36/01/169043601.db2.gz	TYXDIFYUBIKHCS-UHFFFAOYSA-N	0	0	191.661	3.346	10	0		AGAERN
Cn1nc(C2CCCCC2)cc1Cl	34497237	169060667	/nfs/dbraw/zinc/06/06/67/169060667.db2.gz	UXCKPFAIVOJKAZ-UHFFFAOYSA-N	0	0	198.697	3.121	10	0		AGAERN
Cn1nc(C(C)(C)C)cc1C(C)(C)C	112949	169061889	/nfs/dbraw/zinc/06/18/89/169061889.db2.gz	HOPUBWIABHRCKQ-UHFFFAOYSA-N	0	0	194.322	3.015	10	0		AGAERN
F/C=C/c1ccc2ccccc2n1	90557685	169069259	/nfs/dbraw/zinc/06/92/59/169069259.db2.gz	UUEJBKDXSSJCMW-BQYQJAHWSA-N	0	0	173.190	3.175	10	0		AGAERN
F/C=C\c1ccc2ccccc2n1	90557684	169069306	/nfs/dbraw/zinc/06/93/06/169069306.db2.gz	UUEJBKDXSSJCMW-FPLPWBNLSA-N	0	0	173.190	3.175	10	0		AGAERN
FC(F)(F)Cn1ccc2ccccc21	39432037	169071554	/nfs/dbraw/zinc/07/15/54/169071554.db2.gz	XLHMYTXUFRBCIC-UHFFFAOYSA-N	0	0	199.175	3.204	10	0		AGAERN
FC(F)(F)[C@H]1C[C@H]1c1ccccc1	95628904	169072295	/nfs/dbraw/zinc/07/22/95/169072295.db2.gz	QIPWAYGGNPOMGQ-IUCAKERBSA-N	0	0	186.176	3.352	10	0		AGAERN
FC(F)(F)c1ccc2c(c1)C=CC2	211930057	169072360	/nfs/dbraw/zinc/07/23/60/169072360.db2.gz	TTWUEPGIFMJXPN-UHFFFAOYSA-N	0	0	184.160	3.275	10	0		AGAERN
FC(F)(F)[C@@H]1C[C@@H]1c1ccccc1	95628907	169073068	/nfs/dbraw/zinc/07/30/68/169073068.db2.gz	QIPWAYGGNPOMGQ-RKDXNWHRSA-N	0	0	186.176	3.352	10	0		AGAERN
FC(F)c1ccc2ccncc2c1	44831904	169073405	/nfs/dbraw/zinc/07/34/05/169073405.db2.gz	YFDINXRWBVDPTI-UHFFFAOYSA-N	0	0	179.169	3.172	10	0		AGAERN
FC(F)c1cc2ccccc2[nH]1	21981615	169073469	/nfs/dbraw/zinc/07/34/69/169073469.db2.gz	PHVLPXJEJXMWRT-UHFFFAOYSA-N	0	0	167.158	3.106	10	0		AGAERN
FC(F)c1csc(C2CCC2)n1	306334328	169073472	/nfs/dbraw/zinc/07/34/72/169073472.db2.gz	FODNIBNKYGBQLB-UHFFFAOYSA-N	0	0	189.230	3.348	10	0		AGAERN
FC(F)CNc1ccccc1Cl	37755780	169073622	/nfs/dbraw/zinc/07/36/22/169073622.db2.gz	LQAWWIJRLLGYHC-UHFFFAOYSA-N	0	0	191.608	3.017	10	0		AGAERN
FC(F)Oc1cccc2ccccc12	34783399	169074030	/nfs/dbraw/zinc/07/40/30/169074030.db2.gz	LCEZNPCSYNGYEL-UHFFFAOYSA-N	0	0	194.180	3.441	10	0		AGAERN
FC(F)n1ccc2ccccc21	3262870	169074046	/nfs/dbraw/zinc/07/40/46/169074046.db2.gz	RIDXGVWXYKLHMT-UHFFFAOYSA-N	0	0	167.158	3.036	10	0		AGAERN
FC(F)c1cccc2ccncc12	44831907	169074254	/nfs/dbraw/zinc/07/42/54/169074254.db2.gz	UHXOFHISZHOFIP-UHFFFAOYSA-N	0	0	179.169	3.172	10	0		AGAERN
FC(F)c1ccc2cnccc2c1	44831901	169074422	/nfs/dbraw/zinc/07/44/22/169074422.db2.gz	VKHUTDGSHKOAGA-UHFFFAOYSA-N	0	0	179.169	3.172	10	0		AGAERN
FC(F)Oc1ccc2c(c1)CCCC2	41209326	169074847	/nfs/dbraw/zinc/07/48/47/169074847.db2.gz	YSFIIJMWCQWGJL-UHFFFAOYSA-N	0	0	198.212	3.167	10	0		AGAERN
FC(F)Oc1cccc2c1CCCC2	41209328	169074859	/nfs/dbraw/zinc/07/48/59/169074859.db2.gz	UHDFTSMXDQYGAG-UHFFFAOYSA-N	0	0	198.212	3.167	10	0		AGAERN
FC(F)Sc1cccs1	41168022	169074895	/nfs/dbraw/zinc/07/48/95/169074895.db2.gz	SPWZROMSXPKIKF-UHFFFAOYSA-N	0	0	166.217	3.063	10	0		AGAERN
FC(F)C(Cl)=C(Cl)Cl	2507474	169075025	/nfs/dbraw/zinc/07/50/25/169075025.db2.gz	IHOKIXISGIHUSH-UHFFFAOYSA-N	0	0	181.396	3.137	10	0		AGAERN
FC1(F)CCc2cc(Cl)ccc21	63361101	169076649	/nfs/dbraw/zinc/07/66/49/169076649.db2.gz	CWIHRRQFKNZKHP-UHFFFAOYSA-N	0	0	188.604	3.378	10	0		AGAERN
FC1(F)CCCC=C1c1ccco1	90557720	169077128	/nfs/dbraw/zinc/07/71/28/169077128.db2.gz	BEEWCLJTBMAYQN-UHFFFAOYSA-N	0	0	184.185	3.482	10	0		AGAERN
FCSc1nc2ccccc2s1	45236497	169077639	/nfs/dbraw/zinc/07/76/39/169077639.db2.gz	YLCXNKKHKLPNQK-UHFFFAOYSA-N	0	0	199.275	3.315	10	0		AGAERN
FCCOc1cccc2ccccc12	34450227	169077886	/nfs/dbraw/zinc/07/78/86/169077886.db2.gz	DQBHWQWGRBWRSM-UHFFFAOYSA-N	0	0	190.217	3.188	10	0		AGAERN
Fc1cc2scnc2cc1Cl	45236123	169081157	/nfs/dbraw/zinc/08/11/57/169081157.db2.gz	DKUIIUMCBGHEFH-UHFFFAOYSA-N	0	0	187.626	3.089	10	0		AGAERN
Fc1ccc(-n2cccc2)c(Cl)c1	35120953	169081180	/nfs/dbraw/zinc/08/11/80/169081180.db2.gz	VAUBYYSZKHTBBO-UHFFFAOYSA-N	0	0	195.624	3.270	10	0		AGAERN
Fc1ccc(-c2ccncc2)cc1F	47216126	169081226	/nfs/dbraw/zinc/08/12/26/169081226.db2.gz	MLKFPTBIROJSMS-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1ccc(-c2cscn2)c(F)c1	75838427	169081378	/nfs/dbraw/zinc/08/13/78/169081378.db2.gz	PAQMVZNJKDEHGV-UHFFFAOYSA-N	0	0	197.209	3.088	10	0		AGAERN
Fc1ccc(-c2ccccc2)c(F)n1	47207553	169081461	/nfs/dbraw/zinc/08/14/61/169081461.db2.gz	NLHGWYORNLXJHZ-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1cc2ccccc2s1	79065092	169081568	/nfs/dbraw/zinc/08/15/68/169081568.db2.gz	SAESIODBZLTTIP-UHFFFAOYSA-N	0	0	152.193	3.040	10	0		AGAERN
Fc1cc(OC2CC2)ccc1Cl	95742124	169081573	/nfs/dbraw/zinc/08/15/73/169081573.db2.gz	GKYFDKWWWXTXPD-UHFFFAOYSA-N	0	0	186.613	3.020	10	0		AGAERN
Fc1ccc(-c2ccc(F)cn2)cc1	47204558	169081622	/nfs/dbraw/zinc/08/16/22/169081622.db2.gz	AHVXWZPNHDEKTF-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1cc2ccccc2nc1Cl	34467542	169081653	/nfs/dbraw/zinc/08/16/53/169081653.db2.gz	UJIAYFCOYFTLAK-UHFFFAOYSA-N	0	0	181.597	3.027	10	0		AGAERN
Fc1ccc(-c2ccccc2F)cn1	47204576	169081679	/nfs/dbraw/zinc/08/16/79/169081679.db2.gz	UDOPXPXVQDHUMA-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1ccc(-c2ccc(F)nc2)cc1	47204578	169081797	/nfs/dbraw/zinc/08/17/97/169081797.db2.gz	ZVRPXABGMKBROG-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1ccc(-c2ccncc2)c(F)c1	2563856	169081825	/nfs/dbraw/zinc/08/18/25/169081825.db2.gz	URRJAIUHVYWAMP-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1ccc(-c2cccnc2F)cc1	47204563	169081846	/nfs/dbraw/zinc/08/18/46/169081846.db2.gz	OGGMSUSBAVAQGW-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1ccc(-c2ncccc2F)cc1	47204555	169081925	/nfs/dbraw/zinc/08/19/25/169081925.db2.gz	UYPBPADHAHIYHW-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1ccc(-c2cc(F)ccn2)cc1	47206501	169082007	/nfs/dbraw/zinc/08/20/07/169082007.db2.gz	ANQRMRPPTOTTMQ-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1ccc(-c2cccnc2)c(F)c1	2563857	169082039	/nfs/dbraw/zinc/08/20/39/169082039.db2.gz	ZMQXDYBWFBWZES-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1ccc(-c2cnccc2F)cc1	47204566	169082221	/nfs/dbraw/zinc/08/22/21/169082221.db2.gz	ZNCMUHURPXSCIT-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1ccc(-c2cncc(F)c2)cc1	47204569	169082241	/nfs/dbraw/zinc/08/22/41/169082241.db2.gz	VIJCCXIITFLKQW-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1ccc(-c2ccccc2F)nc1	47204556	169082244	/nfs/dbraw/zinc/08/22/44/169082244.db2.gz	FJTCHIXOSYJBCF-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1ccc(OC2CC2)cc1Cl	95734236	169082711	/nfs/dbraw/zinc/08/27/11/169082711.db2.gz	BVBFDLGJXGBVSB-UHFFFAOYSA-N	0	0	186.613	3.020	10	0		AGAERN
Fc1ccc(Cl)c(OC2CC2)c1	95734257	169083105	/nfs/dbraw/zinc/08/31/05/169083105.db2.gz	GTGDZPNBMPSJGB-UHFFFAOYSA-N	0	0	186.613	3.020	10	0		AGAERN
Fc1ccc(F)c(-c2ccncc2)c1	47216121	169083286	/nfs/dbraw/zinc/08/32/86/169083286.db2.gz	GPHIDODIJGSPDS-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1ccc(F)c2c(Cl)nccc12	71482451	169083415	/nfs/dbraw/zinc/08/34/15/169083415.db2.gz	PXRSWPASDHDTIJ-UHFFFAOYSA-N	0	0	199.587	3.166	10	0		AGAERN
Fc1ccc(F)c(-c2cscn2)c1	1520054	169083469	/nfs/dbraw/zinc/08/34/69/169083469.db2.gz	QUAHQGWMXXVAJV-UHFFFAOYSA-N	0	0	197.209	3.088	10	0		AGAERN
Fc1ccc(NC2CCCC2)c(F)c1	19951775	169083588	/nfs/dbraw/zinc/08/35/88/169083588.db2.gz	WFPMWTKRFKFRFB-UHFFFAOYSA-N	0	0	197.228	3.319	10	0		AGAERN
Fc1ccc(OC2CC2)c(Cl)c1	95734391	169083637	/nfs/dbraw/zinc/08/36/37/169083637.db2.gz	QLFSKPZBDHKVQB-UHFFFAOYSA-N	0	0	186.613	3.020	10	0		AGAERN
Fc1ccc(NCC2CCCC2)cc1	41206259	169083664	/nfs/dbraw/zinc/08/36/64/169083664.db2.gz	ISWMXBDCIULJRN-UHFFFAOYSA-N	0	0	193.265	3.428	10	0		AGAERN
Fc1ccc(O[C@@H]2C=CCCC2)cc1	34568276	169083668	/nfs/dbraw/zinc/08/36/68/169083668.db2.gz	SLRWMYMGXGGNAG-LLVKDONJSA-N	0	0	192.233	3.313	10	0		AGAERN
Fc1ccc(Cl)cc1OC1CC1	95742141	169083723	/nfs/dbraw/zinc/08/37/23/169083723.db2.gz	QYIIPXDKWAKYJM-UHFFFAOYSA-N	0	0	186.613	3.020	10	0		AGAERN
Fc1ccc(Cl)cc1-n1cccc1	35120963	169083738	/nfs/dbraw/zinc/08/37/38/169083738.db2.gz	NDUDOJPIGPIXMV-UHFFFAOYSA-N	0	0	195.624	3.270	10	0		AGAERN
Fc1ccc2[nH]c(C(F)F)cc2c1	95930892	169084028	/nfs/dbraw/zinc/08/40/28/169084028.db2.gz	HRNYFOLPWIUSLE-UHFFFAOYSA-N	0	0	185.148	3.245	10	0		AGAERN
Fc1ccc2c(c1)[C@H]1CCCC[C@@H]1N2	39343753	169084078	/nfs/dbraw/zinc/08/40/78/169084078.db2.gz	XMBSZMVTVFCHDR-KOLCDFICSA-N	0	0	191.249	3.277	10	0		AGAERN
Fc1ccc2[nH]ccc(=S)c2c1	40175663	169084144	/nfs/dbraw/zinc/08/41/44/169084144.db2.gz	CFKQDPFIBAWXIJ-UHFFFAOYSA-N	0	0	179.219	3.036	10	0		AGAERN
Fc1ccc2c(c1)[C@H]1CCCC[C@H]1N2	39343755	169084357	/nfs/dbraw/zinc/08/43/57/169084357.db2.gz	XMBSZMVTVFCHDR-MWLCHTKSSA-N	0	0	191.249	3.277	10	0		AGAERN
Fc1ccc2cscc2c1	39088519	169084523	/nfs/dbraw/zinc/08/45/23/169084523.db2.gz	ZCAOHKFANLRXKW-UHFFFAOYSA-N	0	0	152.193	3.040	10	0		AGAERN
Fc1ccc(Oc2ccco2)cc1	39289424	169084679	/nfs/dbraw/zinc/08/46/79/169084679.db2.gz	XZNZBRIJAPYPRW-UHFFFAOYSA-N	0	0	178.162	3.211	10	0		AGAERN
Fc1ccc2c(c1)C=CCCC2	95922902	169084684	/nfs/dbraw/zinc/08/46/84/169084684.db2.gz	MVONVRRTTWNPAY-UHFFFAOYSA-N	0	0	162.207	3.175	10	0		AGAERN
Fc1ccc2c(c1)C1(CCCC1)CN2	71484979	169084703	/nfs/dbraw/zinc/08/47/03/169084703.db2.gz	ZRBVVENBWABBBI-UHFFFAOYSA-N	0	0	191.249	3.063	10	0		AGAERN
Fc1ccc(Oc2ccncc2)cc1	141344547	169084874	/nfs/dbraw/zinc/08/48/74/169084874.db2.gz	MGNUJEROOIXDLJ-UHFFFAOYSA-N	0	0	189.189	3.013	10	0		AGAERN
Fc1ccc2c3c([nH]c2c1)CCCC3	82588285	169084897	/nfs/dbraw/zinc/08/48/97/169084897.db2.gz	TYQDJIGPOLITFQ-UHFFFAOYSA-N	0	0	189.233	3.186	10	0		AGAERN
Fc1ccc(Oc2cccnc2)cc1	27103017	169084947	/nfs/dbraw/zinc/08/49/47/169084947.db2.gz	NXOWHXWXWXHPST-UHFFFAOYSA-N	0	0	189.189	3.013	10	0		AGAERN
Fc1ccc2c(c1)[C@@H]1CCCC[C@H]1N2	39343754	169084953	/nfs/dbraw/zinc/08/49/53/169084953.db2.gz	XMBSZMVTVFCHDR-GXSJLCMTSA-N	0	0	191.249	3.277	10	0		AGAERN
Fc1ccc2cnccc2c1Cl	90684666	169084959	/nfs/dbraw/zinc/08/49/59/169084959.db2.gz	RAVIPCWMLZMENX-UHFFFAOYSA-N	0	0	181.597	3.027	10	0		AGAERN
Fc1cccc(F)c1NC1CCCC1	34957570	169085494	/nfs/dbraw/zinc/08/54/94/169085494.db2.gz	UHRXBLGUHLFZAU-UHFFFAOYSA-N	0	0	197.228	3.319	10	0		AGAERN
Fc1cccc(Oc2cccnc2)c1	27103020	169085497	/nfs/dbraw/zinc/08/54/97/169085497.db2.gz	RSUURDOXUOTPSO-UHFFFAOYSA-N	0	0	189.189	3.013	10	0		AGAERN
Fc1cccc(-c2nccs2)c1F	75899153	169085599	/nfs/dbraw/zinc/08/55/99/169085599.db2.gz	ZCAUOGPMUHAPFH-UHFFFAOYSA-N	0	0	197.209	3.088	10	0		AGAERN
Fc1cccc(-c2ccnc(F)c2)c1	47204571	169085630	/nfs/dbraw/zinc/08/56/30/169085630.db2.gz	YIMPXGFFXJABRF-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1cccc(-c2cccnc2)c1F	47216116	169085657	/nfs/dbraw/zinc/08/56/57/169085657.db2.gz	ADWXNUISJJWIQB-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1cccc(-c2cncc(F)c2)c1	47204568	169085671	/nfs/dbraw/zinc/08/56/71/169085671.db2.gz	DICCISNSAOCOQL-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1cccc(F)c1-c1cscn1	75838428	169085710	/nfs/dbraw/zinc/08/57/10/169085710.db2.gz	JOEDXLWEPWBJDR-UHFFFAOYSA-N	0	0	197.209	3.088	10	0		AGAERN
Fc1cccc(F)c1-c1cccnc1	34152952	169085717	/nfs/dbraw/zinc/08/57/17/169085717.db2.gz	CGPVBCALHGIYAF-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1ccc2ncsc2c1Cl	45236124	169085737	/nfs/dbraw/zinc/08/57/37/169085737.db2.gz	IAEAQKXVOBORHU-UHFFFAOYSA-N	0	0	187.626	3.089	10	0		AGAERN
Fc1cccc(OC2CC2)c1Cl	95734419	169085832	/nfs/dbraw/zinc/08/58/32/169085832.db2.gz	RIRUKCRAKFVIDY-UHFFFAOYSA-N	0	0	186.613	3.020	10	0		AGAERN
Fc1cccc(F)c1-c1ccncc1	47216123	169085836	/nfs/dbraw/zinc/08/58/36/169085836.db2.gz	MLCGDPSUWRYNGG-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1cccc(Cc2ccccc2)c1	82058525	169085840	/nfs/dbraw/zinc/08/58/40/169085840.db2.gz	QAJVVMNLYVCJCO-UHFFFAOYSA-N	0	0	186.229	3.417	10	0		AGAERN
Fc1cccc(-c2ncccc2F)c1	47204554	169085860	/nfs/dbraw/zinc/08/58/60/169085860.db2.gz	FCEXAWYDNRMOAK-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1cccc(NC2CCCC2)c1F	40229882	169086024	/nfs/dbraw/zinc/08/60/24/169086024.db2.gz	YNZZOHFLOBXIOY-UHFFFAOYSA-N	0	0	197.228	3.319	10	0		AGAERN
Fc1cccc(Oc2ccccc2)n1	40711422	169086031	/nfs/dbraw/zinc/08/60/31/169086031.db2.gz	NXKMPTSSRCGRDF-UHFFFAOYSA-N	0	0	189.189	3.013	10	0		AGAERN
Fc1cccc(-c2cccnc2F)c1	47204562	169086381	/nfs/dbraw/zinc/08/63/81/169086381.db2.gz	SIAQLWYUCDIKSJ-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1cccc(-c2ccncc2)c1F	47216118	169086461	/nfs/dbraw/zinc/08/64/61/169086461.db2.gz	LOHJTJMUCAMSRJ-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1cccc(-c2ccccc2F)n1	47204559	169086504	/nfs/dbraw/zinc/08/65/04/169086504.db2.gz	ZNCARRSQQNCMIQ-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1cccc(Cl)c1OC1CC1	95734268	169086510	/nfs/dbraw/zinc/08/65/10/169086510.db2.gz	YGIHOSBKCWVWFO-UHFFFAOYSA-N	0	0	186.613	3.020	10	0		AGAERN
Fc1cccc(-c2cnccc2F)c1	47204565	169086531	/nfs/dbraw/zinc/08/65/31/169086531.db2.gz	HAKYFZTXPWDVOZ-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1cccc(-c2cccc(F)n2)c1	47204560	169086597	/nfs/dbraw/zinc/08/65/97/169086597.db2.gz	NXAAQGAYYAMHTD-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1cccc(Cl)c1-n1cccc1	139290	169086655	/nfs/dbraw/zinc/08/66/55/169086655.db2.gz	YXOOCAWWKFZOIG-UHFFFAOYSA-N	0	0	195.624	3.270	10	0		AGAERN
Fc1cccc(-c2ccc(F)nc2)c1	47204577	169086727	/nfs/dbraw/zinc/08/67/27/169086727.db2.gz	NGVKMTSVJNFIMU-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1cccc(C2CCCC2)c1	75840516	169086734	/nfs/dbraw/zinc/08/67/34/169086734.db2.gz	FWDULKAGIIBRHV-UHFFFAOYSA-N	0	0	164.223	3.483	10	0		AGAERN
Fc1cccc(-c2cc(F)ccn2)c1	47206499	169086809	/nfs/dbraw/zinc/08/68/09/169086809.db2.gz	JGFPIBZIVSUJLH-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1cccc(/C=C\c2ccncc2)c1	95908409	169086878	/nfs/dbraw/zinc/08/68/78/169086878.db2.gz	PIWWCRHLRHAEQD-PLNGDYQASA-N	0	0	199.228	3.391	10	0		AGAERN
Fc1ccccc1C1CCCC1	75840439	169087145	/nfs/dbraw/zinc/08/71/45/169087145.db2.gz	CJPHNFSDVUFVRO-UHFFFAOYSA-N	0	0	164.223	3.483	10	0		AGAERN
Fc1ccccc1/C=C/c1ccncc1	194486	169087516	/nfs/dbraw/zinc/08/75/16/169087516.db2.gz	WNDNWQJFFMVEOP-AATRIKPKSA-N	0	0	199.228	3.391	10	0		AGAERN
Fc1ccccc1-c1cnccc1F	47204564	169087566	/nfs/dbraw/zinc/08/75/66/169087566.db2.gz	DPOUOXOHKRIXDH-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1ccccc1Nc1nccs1	82714812	169088020	/nfs/dbraw/zinc/08/80/20/169088020.db2.gz	MUSNZNIOCCNDNG-UHFFFAOYSA-N	0	0	194.234	3.026	10	0		AGAERN
Fc1cccc2c1SC(Cl)N2	334139059	169088164	/nfs/dbraw/zinc/08/81/64/169088164.db2.gz	KGHIJWWSMPHATC-UHFFFAOYSA-N	0	0	188.634	3.029	10	0		AGAERN
Fc1ccccc1-c1ccncc1F	47204573	169088233	/nfs/dbraw/zinc/08/82/33/169088233.db2.gz	PDEJPHINGRDUMP-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1ccccc1-c1cccnc1F	47204561	169088245	/nfs/dbraw/zinc/08/82/45/169088245.db2.gz	YNMBHAQLBQDRKN-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1cccc2cscc12	39088518	169088501	/nfs/dbraw/zinc/08/85/01/169088501.db2.gz	NVVNTOOOZWCDDG-UHFFFAOYSA-N	0	0	152.193	3.040	10	0		AGAERN
Fc1ccnc(-c2ccccc2F)c1	47206497	169088844	/nfs/dbraw/zinc/08/88/44/169088844.db2.gz	VHEFPXQRQDQIFJ-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1cncc(-c2ccccc2F)c1	47204567	169089369	/nfs/dbraw/zinc/08/93/69/169089369.db2.gz	YUONCNJWFCCICX-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1cnc(-c2ccccc2)c(F)c1	47207555	169089681	/nfs/dbraw/zinc/08/96/81/169089681.db2.gz	IKNVBFOBFMVBJW-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1ccoc1-c1ccccc1	36419834	169089719	/nfs/dbraw/zinc/08/97/19/169089719.db2.gz	WNMJWMDCRLDXQS-UHFFFAOYSA-N	0	0	162.163	3.086	10	0		AGAERN
Fc1cccnc1C1CCCCC1	75841283	169089798	/nfs/dbraw/zinc/08/97/98/169089798.db2.gz	SSIGGPKBVCOANX-UHFFFAOYSA-N	0	0	179.238	3.268	10	0		AGAERN
Fc1cncc(F)c1-c1ccccc1	47207557	169089807	/nfs/dbraw/zinc/08/98/07/169089807.db2.gz	MBZSIRUJMYEPDH-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1cnc(F)c(-c2ccccc2)c1	47207551	169089850	/nfs/dbraw/zinc/08/98/50/169089850.db2.gz	SUUWBFNXEBLQHL-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Fc1ncccc1C1CCCCC1	75841285	169090396	/nfs/dbraw/zinc/09/03/96/169090396.db2.gz	XRPOMJOZKCULEZ-UHFFFAOYSA-N	0	0	179.238	3.268	10	0		AGAERN
Fc1nc2ccc(Cl)cc2s1	45237563	169090399	/nfs/dbraw/zinc/09/03/99/169090399.db2.gz	ADXVKAKYYJWDOV-UHFFFAOYSA-N	0	0	187.626	3.089	10	0		AGAERN
Cc1nc(-c2ccccc2)ccc1F	47207664	168931247	/nfs/dbraw/zinc/93/12/47/168931247.db2.gz	FDQBBEMWNSZMFF-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Nc1ccccc1C=Cc1ccccc1	1637726	169142375	/nfs/dbraw/zinc/14/23/75/169142375.db2.gz	WXGBMVAPOXRLDB-MNVRVBQWSA-N	0	0	195.265	3.462	10	0		AGAERN
Nc1ccccc1C=Cc1ccccc1	100105115	169142923	/nfs/dbraw/zinc/14/29/23/169142923.db2.gz	WXGBMVAPOXRLDB-XFDAGFEBSA-N	0	0	195.265	3.462	10	0		AGAERN
Nc1ccccc1C=Cc1ccccc1	71611263	169143502	/nfs/dbraw/zinc/14/35/02/169143502.db2.gz	WXGBMVAPOXRLDB-XHIWSDTDSA-N	0	0	195.265	3.462	10	0		AGAERN
Nc1ccccc1C=Cc1ccccc1	100105116	169143777	/nfs/dbraw/zinc/14/37/77/169143777.db2.gz	WXGBMVAPOXRLDB-MRMIOADMSA-N	0	0	195.265	3.462	10	0		AGAERN
NNC1CCCCCCCCCCC1	19803174	169237184	/nfs/dbraw/zinc/23/71/84/169237184.db2.gz	JZFWSJFYOJSOJJ-UHFFFAOYSA-N	0	0	198.354	3.123	10	0		AGAERN
Nc1c(F)cccc1-c1ccccc1	47207214	169282553	/nfs/dbraw/zinc/28/25/53/169282553.db2.gz	AJHWHPPPSQWXRX-UHFFFAOYSA-N	0	0	187.217	3.075	10	0		AGAERN
Nc1c(Cl)cccc1[C@H]1C=CCC1	75581520	169282562	/nfs/dbraw/zinc/28/25/62/169282562.db2.gz	GYLVOKAGLXWTRO-QMMMGPOBSA-N	0	0	193.677	3.356	10	0		AGAERN
Nc1c(Cl)ccc2ccccc12	39189776	169282594	/nfs/dbraw/zinc/28/25/94/169282594.db2.gz	UWIWGZCNYRBVJL-UHFFFAOYSA-N	0	0	177.634	3.075	10	0		AGAERN
Nc1c(Cl)cccc1[C@@H]1C=CCC1	75581521	169283206	/nfs/dbraw/zinc/28/32/06/169283206.db2.gz	GYLVOKAGLXWTRO-MRVPVSSYSA-N	0	0	193.677	3.356	10	0		AGAERN
Nc1c(Cl)sc2ccccc12	75576369	169283248	/nfs/dbraw/zinc/28/32/48/169283248.db2.gz	XZOWTQFVEJRIPQ-UHFFFAOYSA-N	0	0	183.663	3.137	10	0		AGAERN
Nc1cc(-c2ccco2)ccc1Cl	41048874	169283668	/nfs/dbraw/zinc/28/36/68/169283668.db2.gz	GOURBXMHOWDLKU-UHFFFAOYSA-N	0	0	193.633	3.182	10	0		AGAERN
Nc1cc(-c2cccs2)cs1	104076094	169284243	/nfs/dbraw/zinc/28/42/43/169284243.db2.gz	HKZYAKOWMSKVIN-UHFFFAOYSA-N	0	0	181.285	3.059	10	0		AGAERN
Nc1cc(C2CCCCC2)cs1	105594267	169285306	/nfs/dbraw/zinc/28/53/06/169285306.db2.gz	UJFVIKZVXQVMQZ-UHFFFAOYSA-N	0	0	181.304	3.378	10	0		AGAERN
Nc1cc(F)cc(-c2ccccc2)c1	47207220	169285804	/nfs/dbraw/zinc/28/58/04/169285804.db2.gz	WRVVKXNPEDTXSR-UHFFFAOYSA-N	0	0	187.217	3.075	10	0		AGAERN
Nc1cc(F)ccc1-c1ccccc1	37594028	169285850	/nfs/dbraw/zinc/28/58/50/169285850.db2.gz	GBHUFOLVUPQIHJ-UHFFFAOYSA-N	0	0	187.217	3.075	10	0		AGAERN
Nc1cc(F)ccc1-c1cccs1	41048944	169286646	/nfs/dbraw/zinc/28/66/46/169286646.db2.gz	PEEQUYPFBKEWCB-UHFFFAOYSA-N	0	0	193.246	3.136	10	0		AGAERN
Nc1ccc(-c2ccsc2)s1	103629814	169289848	/nfs/dbraw/zinc/28/98/48/169289848.db2.gz	DTKSFANXXBFTEX-UHFFFAOYSA-N	0	0	181.285	3.059	10	0		AGAERN
Nc1ccc(/C=C/c2ccco2)cc1	205472597	169290193	/nfs/dbraw/zinc/29/01/93/169290193.db2.gz	TVTLTUJSAHLADI-VMPITWQZSA-N	0	0	185.226	3.032	10	0		AGAERN
Nc1ccc(-c2ccccc2F)s1	103629852	169290399	/nfs/dbraw/zinc/29/03/99/169290399.db2.gz	OZWSVVHBRZREKH-UHFFFAOYSA-N	0	0	193.246	3.136	10	0		AGAERN
Nc1ccc(-c2ccsc2)cc1F	16946534	169290429	/nfs/dbraw/zinc/29/04/29/169290429.db2.gz	UCFXICCDHCHHFT-UHFFFAOYSA-N	0	0	193.246	3.136	10	0		AGAERN
Nc1ccc(-c2ccco2)c(Cl)c1	41048867	169290504	/nfs/dbraw/zinc/29/05/04/169290504.db2.gz	HNUYGMPDXLUMCO-UHFFFAOYSA-N	0	0	193.633	3.182	10	0		AGAERN
Nc1ccc(-c2cccs2)cc1F	16946471	169290521	/nfs/dbraw/zinc/29/05/21/169290521.db2.gz	KIEWKBQCVLLFFK-UHFFFAOYSA-N	0	0	193.246	3.136	10	0		AGAERN
Nc1ccc(-c2cccs2)s1	103629824	169290533	/nfs/dbraw/zinc/29/05/33/169290533.db2.gz	MYLLDWWILHIHJU-UHFFFAOYSA-N	0	0	181.285	3.059	10	0		AGAERN
Nc1ccc(-c2ccc3c(c2)CC3)cc1	104816355	169290568	/nfs/dbraw/zinc/29/05/68/169290568.db2.gz	FXVQRGISABTJSF-UHFFFAOYSA-N	0	0	195.265	3.034	10	0		AGAERN
Nc1ccc(C(F)F)c(C(F)F)c1	2540135	169291151	/nfs/dbraw/zinc/29/11/51/169291151.db2.gz	AWMJTGHQDRXXIN-UHFFFAOYSA-N	0	0	193.143	3.144	10	0		AGAERN
Nc1ccc(C2CCCCC2)s1	103629810	169291419	/nfs/dbraw/zinc/29/14/19/169291419.db2.gz	RZSUWAFPZBJYIQ-UHFFFAOYSA-N	0	0	181.304	3.378	10	0		AGAERN
Nc1ccc(C2CCCC2)cc1F	75840529	169291820	/nfs/dbraw/zinc/29/18/20/169291820.db2.gz	JDOCLBADXGNRIS-UHFFFAOYSA-N	0	0	179.238	3.066	10	0		AGAERN
Nc1ccc(C2CCCCC2)cc1F	75841153	169291931	/nfs/dbraw/zinc/29/19/31/169291931.db2.gz	LFIQWXFTKOLHPM-UHFFFAOYSA-N	0	0	193.265	3.456	10	0		AGAERN
Nc1ccc(SC/C=C/Cl)cc1	37182580	169293810	/nfs/dbraw/zinc/29/38/10/169293810.db2.gz	VYSPHDBSGIWPPT-LZCJLJQNSA-N	0	0	199.706	3.113	10	0		AGAERN
Nc1cccc(/C=C/c2ccccc2)c1	5162286	169295736	/nfs/dbraw/zinc/29/57/36/169295736.db2.gz	STNDIHAVRCIBCC-MDZDMXLPSA-N	0	0	195.265	3.439	10	0		AGAERN
Nc1ccc2sc(=S)sc2c1	196108608	169295878	/nfs/dbraw/zinc/29/58/78/169295878.db2.gz	RDGJUTHXLHHOGW-UHFFFAOYSA-N	0	0	199.325	3.274	10	0		AGAERN
Nc1cccc(-c2ccccc2)c1F	47207218	169296169	/nfs/dbraw/zinc/29/61/69/169296169.db2.gz	SKBOXXLOYZPVJJ-UHFFFAOYSA-N	0	0	187.217	3.075	10	0		AGAERN
Nc1cccc(NC2CCCCC2)c1	34938349	169296410	/nfs/dbraw/zinc/29/64/10/169296410.db2.gz	HLKSYBRRCZQPTH-UHFFFAOYSA-N	0	0	190.290	3.013	10	0		AGAERN
Nc1cccc(CC2CCCCC2)c1	32008184	169296848	/nfs/dbraw/zinc/29/68/48/169296848.db2.gz	UYERABYCXBTVDZ-UHFFFAOYSA-N	0	0	189.302	3.392	10	0		AGAERN
Nc1cccc(CCc2ccccc2)c1	5162343	169297064	/nfs/dbraw/zinc/29/70/64/169297064.db2.gz	VJPPMUFNJJMKGK-UHFFFAOYSA-N	0	0	197.281	3.054	10	0		AGAERN
Nc1cccc(F)c1-c1ccccc1	47207216	169297153	/nfs/dbraw/zinc/29/71/53/169297153.db2.gz	CHQYHTDAZNCOAT-UHFFFAOYSA-N	0	0	187.217	3.075	10	0		AGAERN
Nc1cccc(CC2CCCC2)c1	71494916	169297244	/nfs/dbraw/zinc/29/72/44/169297244.db2.gz	UIAXQEAPKLTQAD-UHFFFAOYSA-N	0	0	175.275	3.002	10	0		AGAERN
Nc1cccc2c1Oc1ccccc1O2	39593520	169297469	/nfs/dbraw/zinc/29/74/69/169297469.db2.gz	MIPKGKFSKUZYQC-UHFFFAOYSA-N	0	0	199.209	3.167	10	0		AGAERN
Nc1ccccc1C1=CCCCC1	33487538	169298188	/nfs/dbraw/zinc/29/81/88/169298188.db2.gz	MUPRNQRVTAMDOU-UHFFFAOYSA-N	0	0	173.259	3.226	10	0		AGAERN
Nc1ccccc1[C@H]1CC=CCC1	66339618	169298201	/nfs/dbraw/zinc/29/82/01/169298201.db2.gz	NRADDRJVXHMCPF-JTQLQIEISA-N	0	0	173.259	3.093	10	0		AGAERN
Nc1ccccc1[C@@H]1CC=CCC1	66339621	169298214	/nfs/dbraw/zinc/29/82/14/169298214.db2.gz	NRADDRJVXHMCPF-SNVBAGLBSA-N	0	0	173.259	3.093	10	0		AGAERN
Nc1ccccc1SC/C=C/Cl	19423286	169298284	/nfs/dbraw/zinc/29/82/84/169298284.db2.gz	MSSPCKCSTXCZRA-ZZXKWVIFSA-N	0	0	199.706	3.113	10	0		AGAERN
Nc1ccccc1[C@H]1C=CCCC1	75563767	169298729	/nfs/dbraw/zinc/29/87/29/169298729.db2.gz	QNBHFOTYAOUFFU-JTQLQIEISA-N	0	0	173.259	3.093	10	0		AGAERN
Nc1ccccc1[C@@H]1C=CCCC1	75563776	169298787	/nfs/dbraw/zinc/29/87/87/169298787.db2.gz	QNBHFOTYAOUFFU-SNVBAGLBSA-N	0	0	173.259	3.093	10	0		AGAERN
Nc1ccsc1-c1cccs1	39282006	169300284	/nfs/dbraw/zinc/30/02/84/169300284.db2.gz	ALVRMRYUXMLYKV-UHFFFAOYSA-N	0	0	181.285	3.059	10	0		AGAERN
Nc1ccsc1-c1ccsc1	75575745	169300308	/nfs/dbraw/zinc/30/03/08/169300308.db2.gz	KQKSPVOLAUJMMI-UHFFFAOYSA-N	0	0	181.285	3.059	10	0		AGAERN
Nc1cscc1-c1ccccc1F	49807029	169303562	/nfs/dbraw/zinc/30/35/62/169303562.db2.gz	HJGJGGKBVQNPCA-UHFFFAOYSA-N	0	0	193.246	3.136	10	0		AGAERN
Nc1cscc1-c1cccs1	39347502	169303742	/nfs/dbraw/zinc/30/37/42/169303742.db2.gz	RMRZNWYTTLPVLE-UHFFFAOYSA-N	0	0	181.285	3.059	10	0		AGAERN
Nc1cscc1-c1ccc(F)cc1	49807030	169303774	/nfs/dbraw/zinc/30/37/74/169303774.db2.gz	WAYOLRSCIUNWMZ-UHFFFAOYSA-N	0	0	193.246	3.136	10	0		AGAERN
Nc1cscc1-c1ccsc1	75575744	169303896	/nfs/dbraw/zinc/30/38/96/169303896.db2.gz	ZXFSIUFLPDLVHE-UHFFFAOYSA-N	0	0	181.285	3.059	10	0		AGAERN
Nc1sc2ccccc2c1Cl	75576370	169312397	/nfs/dbraw/zinc/31/23/97/169312397.db2.gz	OEWMZUKIRYVERS-UHFFFAOYSA-N	0	0	183.663	3.137	10	0		AGAERN
Nc1sccc1-c1ccsc1	105594156	169312691	/nfs/dbraw/zinc/31/26/91/169312691.db2.gz	LKQNJOJHXMEJQN-UHFFFAOYSA-N	0	0	181.285	3.059	10	0		AGAERN
Nc1sccc1-c1cccs1	105594159	169312806	/nfs/dbraw/zinc/31/28/06/169312806.db2.gz	GWTKSMRHXWSJAM-UHFFFAOYSA-N	0	0	181.285	3.059	10	0		AGAERN
O=C(Cc1ccccn1)c1ccccc1	105632906	169313023	/nfs/dbraw/zinc/31/30/23/169313023.db2.gz	IXQUHMXYFKDBDA-RAXLEYEMSA-N	0	0	197.237	3.138	10	0		AGAERN
O=C(C1CCCCCC1)C(F)(F)F	39055170	169316751	/nfs/dbraw/zinc/31/67/51/169316751.db2.gz	XVNNVRVBBZKELR-UHFFFAOYSA-N	0	0	194.196	3.088	10	0		AGAERN
O=C(CC(F)(F)F)C1CCCCC1	39258239	169317026	/nfs/dbraw/zinc/31/70/26/169317026.db2.gz	LAKSOERBWJSVDV-UHFFFAOYSA-N	0	0	194.196	3.088	10	0		AGAERN
O=C(CC1CCCC1)c1ccco1	43606563	169317813	/nfs/dbraw/zinc/31/78/13/169317813.db2.gz	VTPKUYJJTCSJOQ-UHFFFAOYSA-N	0	0	178.231	3.043	10	0		AGAERN
O=C(CC1CCCCC1)c1ccco1	43606676	169317999	/nfs/dbraw/zinc/31/79/99/169317999.db2.gz	SHCMKPSYOXIZKX-UHFFFAOYSA-N	0	0	192.258	3.433	10	0		AGAERN
O=C(CCCc1cccs1)C1CC1	41206869	169318063	/nfs/dbraw/zinc/31/80/63/169318063.db2.gz	STBTXPNRGZGQMP-UHFFFAOYSA-N	0	0	194.299	3.050	10	0		AGAERN
O=C(CC1CCCC1)C1CCCC1	53766903	169318464	/nfs/dbraw/zinc/31/84/64/169318464.db2.gz	ZMHCYJCDNHHFSU-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
O=C(CCC1CCCC1)c1ccco1	43606672	169318565	/nfs/dbraw/zinc/31/85/65/169318565.db2.gz	IGDUCFYHTGTGSX-UHFFFAOYSA-N	0	0	192.258	3.433	10	0		AGAERN
O=C(Cc1ccsc1)C1CCCC1	38125603	169322810	/nfs/dbraw/zinc/32/28/10/169322810.db2.gz	NNFRIMBDUCUWHQ-UHFFFAOYSA-N	0	0	194.299	3.050	10	0		AGAERN
O=C(Cc1cccs1)C1CCCC1	38126078	169322823	/nfs/dbraw/zinc/32/28/23/169322823.db2.gz	AMPAVOYZMAHGED-UHFFFAOYSA-N	0	0	194.299	3.050	10	0		AGAERN
O=C(c1ccco1)C1CCCCC1	34128252	169363553	/nfs/dbraw/zinc/36/35/53/169363553.db2.gz	CUJQLDMTXZRPDK-UHFFFAOYSA-N	0	0	178.231	3.043	10	0		AGAERN
O=C(c1ccsc1)c1cccs1	1693125	169364068	/nfs/dbraw/zinc/36/40/68/169364068.db2.gz	IYIUJUDPTQVMMY-UHFFFAOYSA-N	0	0	194.280	3.041	10	0		AGAERN
O=C1CCC(Cc2ccsc2)CC1	34414798	169369279	/nfs/dbraw/zinc/36/92/79/169369279.db2.gz	ZATUAUDNOJRFDW-UHFFFAOYSA-N	0	0	194.299	3.050	10	0		AGAERN
O=C1CCC(=Cc2ccccc2)CC1	116351953	169369296	/nfs/dbraw/zinc/36/92/96/169369296.db2.gz	NNPPZBMARQNZGH-UHFFFAOYSA-N	0	0	186.254	3.213	10	0		AGAERN
O=C1CCC(Cc2cccs2)CC1	39185552	169369575	/nfs/dbraw/zinc/36/95/75/169369575.db2.gz	MCTSOBPTJDULMP-UHFFFAOYSA-N	0	0	194.299	3.050	10	0		AGAERN
O=C1CCCC[C@@H]1CC1CCCC1	48770716	169370313	/nfs/dbraw/zinc/37/03/13/169370313.db2.gz	HLLXIOKQQLMDOC-LLVKDONJSA-N	0	0	180.291	3.326	10	0		AGAERN
O=C1CCCCC[C@]12CC=CCC2	62718945	169370435	/nfs/dbraw/zinc/37/04/35/169370435.db2.gz	BUYDISSUACSWIH-GFCCVEGCSA-N	0	0	178.275	3.246	10	0		AGAERN
O=C1CCCC[C@@H]1C1C=CCCC=C1	34139922	169370486	/nfs/dbraw/zinc/37/04/86/169370486.db2.gz	QILKBOBUWXSVPE-GFCCVEGCSA-N	0	0	190.286	3.268	10	0		AGAERN
O=C1CCCC[C@@H]1[C@@H]1C=CCCC1	39401593	169370553	/nfs/dbraw/zinc/37/05/53/169370553.db2.gz	BCDGNHGRYZACTR-GHMZBOCLSA-N	0	0	178.275	3.102	10	0		AGAERN
O=C1CCCC[C@@H]1[C@H]1C=CCCC1	39401591	169370572	/nfs/dbraw/zinc/37/05/72/169370572.db2.gz	BCDGNHGRYZACTR-WDEREUQCSA-N	0	0	178.275	3.102	10	0		AGAERN
O=C1CCCC[C@@H]1c1ccccc1F	34174474	169370584	/nfs/dbraw/zinc/37/05/84/169370584.db2.gz	NSNOXQDVOTYYKJ-SNVBAGLBSA-N	0	0	192.233	3.052	10	0		AGAERN
O=C1CCCC[C@@H]1Cc1cccs1	42401323	169370628	/nfs/dbraw/zinc/37/06/28/169370628.db2.gz	SXJHCGPOJGOOOH-SECBINFHSA-N	0	0	194.299	3.050	10	0		AGAERN
O=C1CCCCC[C@@]12CC=CCC2	62718948	169370964	/nfs/dbraw/zinc/37/09/64/169370964.db2.gz	BUYDISSUACSWIH-LBPRGKRZSA-N	0	0	178.275	3.246	10	0		AGAERN
O=C1CCCC[C@@H]1Cc1ccsc1	42401460	169371115	/nfs/dbraw/zinc/37/11/15/169371115.db2.gz	ZAOHFGSUSDWQAS-SNVBAGLBSA-N	0	0	194.299	3.050	10	0		AGAERN
O=C1CCCC[C@H]1C1C=CCCC=C1	34139921	169371313	/nfs/dbraw/zinc/37/13/13/169371313.db2.gz	QILKBOBUWXSVPE-LBPRGKRZSA-N	0	0	190.286	3.268	10	0		AGAERN
O=C1CCCC[C@H]1Cc1ccsc1	42401458	169371349	/nfs/dbraw/zinc/37/13/49/169371349.db2.gz	ZAOHFGSUSDWQAS-JTQLQIEISA-N	0	0	194.299	3.050	10	0		AGAERN
O=C1CCCC[C@H]1c1ccccc1F	34174473	169371362	/nfs/dbraw/zinc/37/13/62/169371362.db2.gz	NSNOXQDVOTYYKJ-JTQLQIEISA-N	0	0	192.233	3.052	10	0		AGAERN
O=C1CCCC[C@H]1Cc1cccs1	42401321	169371393	/nfs/dbraw/zinc/37/13/93/169371393.db2.gz	SXJHCGPOJGOOOH-VIFPVBQESA-N	0	0	194.299	3.050	10	0		AGAERN
O=C1CCCC[C@H]1[C@H]1C=CCCC1	39401590	169371500	/nfs/dbraw/zinc/37/15/00/169371500.db2.gz	BCDGNHGRYZACTR-QWRGUYRKSA-N	0	0	178.275	3.102	10	0		AGAERN
O=C1CCCC[C@H]1CC1CCCC1	48770714	169371862	/nfs/dbraw/zinc/37/18/62/169371862.db2.gz	HLLXIOKQQLMDOC-NSHDSACASA-N	0	0	180.291	3.326	10	0		AGAERN
O=C1CCC[C@@H](C2=CCCCC2)C1	104838791	169371915	/nfs/dbraw/zinc/37/19/15/169371915.db2.gz	ITDYSQCARUXNHX-LLVKDONJSA-N	0	0	178.275	3.246	10	0		AGAERN
O=C1CCCCc2c(Cl)cccc21	34373501	169371942	/nfs/dbraw/zinc/37/19/42/169371942.db2.gz	CUAFENGORRFMLB-UHFFFAOYSA-N	0	0	194.661	3.249	10	0		AGAERN
O=C1CCCCc2[nH]c3ccccc3c21	37625379	169371960	/nfs/dbraw/zinc/37/19/60/169371960.db2.gz	YVBSIJXBJIQKTC-UHFFFAOYSA-N	0	0	199.253	3.077	10	0		AGAERN
O=C1CCCC[C@H]1[C@@H]1C=CCCC1	39401592	169372154	/nfs/dbraw/zinc/37/21/54/169372154.db2.gz	BCDGNHGRYZACTR-MNOVXSKESA-N	0	0	178.275	3.102	10	0		AGAERN
O=C1CCC[C@H]1SC1CCCCC1	37485941	169372530	/nfs/dbraw/zinc/37/25/30/169372530.db2.gz	RRFDJEDZYWYMSD-LLVKDONJSA-N	0	0	198.331	3.174	10	0		AGAERN
O=C1CCC[C@H](C2=CCCCC2)C1	104838796	169372668	/nfs/dbraw/zinc/37/26/68/169372668.db2.gz	ITDYSQCARUXNHX-NSHDSACASA-N	0	0	178.275	3.246	10	0		AGAERN
O=C1CCC[C@@H]1SC1CCCCC1	37485942	169373039	/nfs/dbraw/zinc/37/30/39/169373039.db2.gz	RRFDJEDZYWYMSD-NSHDSACASA-N	0	0	198.331	3.174	10	0		AGAERN
O=C1CC[C@@H](c2c[nH]c3ccccc23)C1	21996043	169375290	/nfs/dbraw/zinc/37/52/90/169375290.db2.gz	ZZOSAPDBXQLGLK-SECBINFHSA-N	0	0	199.253	3.005	10	0		AGAERN
O=C1CC[C@H](c2c[nH]c3ccccc23)C1	21996045	169376717	/nfs/dbraw/zinc/37/67/17/169376717.db2.gz	ZZOSAPDBXQLGLK-VIFPVBQESA-N	0	0	199.253	3.005	10	0		AGAERN
O=C1C[C@@H]2CCCCc3cccc1c32	5771075	169381775	/nfs/dbraw/zinc/38/17/75/169381775.db2.gz	VFUTZRRCCKLBLE-JTQLQIEISA-N	0	0	186.254	3.083	10	0		AGAERN
O=C1C[C@H]2CCCCc3cccc1c32	5771078	169383299	/nfs/dbraw/zinc/38/32/99/169383299.db2.gz	VFUTZRRCCKLBLE-SNVBAGLBSA-N	0	0	186.254	3.083	10	0		AGAERN
O=Cc1cc2cc(F)cc(Cl)c2o1	82384110	169404184	/nfs/dbraw/zinc/40/41/84/169404184.db2.gz	GVADVDFVMGPJBU-UHFFFAOYSA-N	0	0	198.580	3.038	10	0		AGAERN
O=Cc1ccc2c3c(cccc13)C=C2	75569930	169405416	/nfs/dbraw/zinc/40/54/16/169405416.db2.gz	WFWQKAUANYXDCA-UHFFFAOYSA-N	0	0	180.206	3.136	10	0		AGAERN
O=Cc1cscc1-c1ccccc1	20032338	169407144	/nfs/dbraw/zinc/40/71/44/169407144.db2.gz	IBWSJGDUGPZUJV-UHFFFAOYSA-N	0	0	188.251	3.228	10	0		AGAERN
O=Cc1oc2c(F)cccc2c1Cl	82384112	169407465	/nfs/dbraw/zinc/40/74/65/169407465.db2.gz	QWQRIBSHCMLODZ-UHFFFAOYSA-N	0	0	198.580	3.038	10	0		AGAERN
O=Nc1ccc2ccccc2c1	31702975	169408653	/nfs/dbraw/zinc/40/86/53/169408653.db2.gz	XHWGWRUGGACWLV-UHFFFAOYSA-N	0	0	157.172	3.238	10	0		AGAERN
OC1CC[C@H]2CCCCC[C@@H]2CC1	37634300	169422473	/nfs/dbraw/zinc/42/24/73/169422473.db2.gz	UEHDVZPMCXIGJZ-GHMZBOCLSA-N	0	0	182.307	3.118	10	0		AGAERN
O[C@@H](c1ccccc1)[C@H]1C=CCCC1	3851190	169442649	/nfs/dbraw/zinc/44/26/49/169442649.db2.gz	NORFEQCIGAYCQL-STQMWFEESA-N	0	0	188.270	3.076	10	0		AGAERN
O[C@@H](c1cccc2ccccc12)C1CC1	39149082	169443296	/nfs/dbraw/zinc/44/32/96/169443296.db2.gz	KXIMJLZBKMYPOT-CQSZACIVSA-N	0	0	198.265	3.283	10	0		AGAERN
O[C@@H]1CCCC/C=C/c2ccccc21	16153087	169443781	/nfs/dbraw/zinc/44/37/81/169443781.db2.gz	ZAHDGOUQVBHOKL-LPZVBRGNSA-N	0	0	188.270	3.307	10	0		AGAERN
O[C@H](CC1CCCCC1)C1=CCCC1	50329124	169448605	/nfs/dbraw/zinc/44/86/05/169448605.db2.gz	GWITUBDBDHUIKM-CYBMUJFWSA-N	0	0	194.318	3.428	10	0		AGAERN
O[C@H](C1=CCCCC1)C1CCCCC1	50328919	169448607	/nfs/dbraw/zinc/44/86/07/169448607.db2.gz	ZTVUTLRMAWJDNY-CYBMUJFWSA-N	0	0	194.318	3.428	10	0		AGAERN
O[C@H](CC1CCCC1)C1=CCCC1	50329227	169448917	/nfs/dbraw/zinc/44/89/17/169448917.db2.gz	OLDIJVLXZDPQCS-GFCCVEGCSA-N	0	0	180.291	3.038	10	0		AGAERN
O[C@H](CCC1CCCC1)C1=CCCC1	50329243	169449030	/nfs/dbraw/zinc/44/90/30/169449030.db2.gz	QVWOJQDHCMHXNH-CYBMUJFWSA-N	0	0	194.318	3.428	10	0		AGAERN
O[C@H](c1ccccc1)[C@@H]1C=CCCC1	3851194	169449530	/nfs/dbraw/zinc/44/95/30/169449530.db2.gz	NORFEQCIGAYCQL-CHWSQXEVSA-N	0	0	188.270	3.076	10	0		AGAERN
O[C@H]1CCC[C@H](C2CCCCC2)C1	32226768	169451940	/nfs/dbraw/zinc/45/19/40/169451940.db2.gz	UVZXBQRRXSOTAZ-RYUDHWBXSA-N	0	0	182.307	3.118	10	0		AGAERN
O[C@H]1CC[C@@H](C2CCCCC2)CC1	100054636	169453067	/nfs/dbraw/zinc/45/30/67/169453067.db2.gz	AFKMHDZOVNDWLO-HAQNSBGRSA-N	0	0	182.307	3.118	10	0		AGAERN
Oc1cc2c3c(cccc3c1)C=C2	34161145	169456998	/nfs/dbraw/zinc/45/69/98/169456998.db2.gz	JKRUSJXWUPHOHB-UHFFFAOYSA-N	0	0	168.195	3.029	10	0		AGAERN
Oc1ccccc1[C@H]1C[C@@H]2CC[C@H]1C2	1731393	169459240	/nfs/dbraw/zinc/45/92/40/169459240.db2.gz	YOBGGQVKQKQNSK-SCVCMEIPSA-N	0	0	188.270	3.296	10	0		AGAERN
Oc1ccccc1[C@@H]1C=CCCC1	34589229	169459334	/nfs/dbraw/zinc/45/93/34/169459334.db2.gz	NIZZSXXQUHXUDC-SNVBAGLBSA-N	0	0	174.243	3.216	10	0		AGAERN
S=c1[nH]ccn1CCC1CCCC1	37741488	169463030	/nfs/dbraw/zinc/46/30/30/169463030.db2.gz	KAQULSASPTUTSB-UHFFFAOYSA-N	0	0	196.319	3.126	10	0		AGAERN
S=c1oc2ccccc2s1	34333906	169463072	/nfs/dbraw/zinc/46/30/72/169463072.db2.gz	LHKFTIXYEYLNDM-UHFFFAOYSA-N	0	0	168.242	3.224	10	0		AGAERN
Cc1ccc2ccccc2c1	95876935	169468442	/nfs/dbraw/zinc/46/84/42/169468442.db2.gz	KLRIDJVVRSGEKN-UHFFFAOYSA-N	0	0	141.193	3.022	10	0		AGAERN
c1cc(NC2CCC2)c2[nH]ccc2c1	76631741	169471287	/nfs/dbraw/zinc/47/12/87/169471287.db2.gz	PUEZZYIQOWOUHH-UHFFFAOYSA-N	0	0	186.258	3.132	10	0		AGAERN
c1cc2c(cc1[C@@H]1CCCO1)CCC2	49806288	169472882	/nfs/dbraw/zinc/47/28/82/169472882.db2.gz	FFIWBEYVVHIBFN-ZDUSSCGKSA-N	0	0	188.270	3.027	10	0		AGAERN
c1cc2c3c(cccc3c1)CCC2	2508017	169472891	/nfs/dbraw/zinc/47/28/91/169472891.db2.gz	GKNLVRYWFYXZFU-UHFFFAOYSA-N	0	0	168.239	3.329	10	0		AGAERN
c1cc2c(ccc3ccoc32)o1	114249174	169473273	/nfs/dbraw/zinc/47/32/73/169473273.db2.gz	WFHVNZAOVUPMPC-UHFFFAOYSA-N	0	0	158.156	3.179	10	0		AGAERN
c1cc2c(ccc3occc32)o1	32197188	169473552	/nfs/dbraw/zinc/47/35/52/169473552.db2.gz	MFDYIEIAKSYBST-UHFFFAOYSA-N	0	0	158.156	3.179	10	0		AGAERN
c1cc2cc3scnc3cc2o1	45236421	169473670	/nfs/dbraw/zinc/47/36/70/169473670.db2.gz	SAWGJHCDZKSEAE-UHFFFAOYSA-N	0	0	175.212	3.043	10	0		AGAERN
c1cc2cc3occc3cc2o1	78770958	169473762	/nfs/dbraw/zinc/47/37/62/169473762.db2.gz	MCNFETJREUYKBJ-UHFFFAOYSA-N	0	0	158.156	3.179	10	0		AGAERN
c1cc2ccc3scnc3c2o1	45236677	169473932	/nfs/dbraw/zinc/47/39/32/169473932.db2.gz	FEWKDCIEBVAZRM-UHFFFAOYSA-N	0	0	175.212	3.043	10	0		AGAERN
c1ccc(-c2cc3ccccn3n2)cc1	34612175	169474496	/nfs/dbraw/zinc/47/44/96/169474496.db2.gz	HFOAXDYGZAQNTI-UHFFFAOYSA-N	0	0	194.237	3.001	10	0		AGAERN
c1ccc(-c2ccc3[nH]ccc3c2)nc1	34241769	169474560	/nfs/dbraw/zinc/47/45/60/169474560.db2.gz	LKVUGPCFEGORAO-UHFFFAOYSA-N	0	0	194.237	3.230	10	0		AGAERN
c1ccc(-c2ccc3c(c2)CC3)cc1	104830762	169474699	/nfs/dbraw/zinc/47/46/99/169474699.db2.gz	LZJUTFSQEFYGRW-UHFFFAOYSA-N	0	0	180.250	3.452	10	0		AGAERN
c1ccc(CSc2cc[nH]c2)cc1	196316335	169475322	/nfs/dbraw/zinc/47/53/22/169475322.db2.gz	MMSVVRAEKZUQGT-UHFFFAOYSA-N	0	0	189.283	3.307	10	0		AGAERN
c1ccc(N[C@H]2C[C@H]3CC[C@@H]2C3)cc1	39233776	169476719	/nfs/dbraw/zinc/47/67/19/169476719.db2.gz	SFCLMYIWOIJNAD-LOWVWBTDSA-N	0	0	187.286	3.287	10	0		AGAERN
c1ccc(Sc2cc[nH]c2)cc1	145259548	169476927	/nfs/dbraw/zinc/47/69/27/169476927.db2.gz	UFHBAVNVFLPEBR-UHFFFAOYSA-N	0	0	175.256	3.166	10	0		AGAERN
c1ccc(OCc2ccsc2)cc1	34273892	169477115	/nfs/dbraw/zinc/47/71/15/169477115.db2.gz	HKQPCIWNHQRHGQ-UHFFFAOYSA-N	0	0	190.267	3.327	10	0		AGAERN
c1ccc2c(-c3cnco3)cccc2c1	299888972	169477963	/nfs/dbraw/zinc/47/79/63/169477963.db2.gz	BIHFMMFNBDLSSI-UHFFFAOYSA-N	0	0	195.221	3.495	10	0		AGAERN
c1ccc([C@H]2C[C@@H]2n2cccc2)cc1	44659777	169478203	/nfs/dbraw/zinc/47/82/03/169478203.db2.gz	NTIVBOBFDNJOBO-OLZOCXBDSA-N	0	0	183.254	3.217	10	0		AGAERN
c1ccc2c(c1)CC[C@H](n1cccc1)C2	51633666	169478513	/nfs/dbraw/zinc/47/85/13/169478513.db2.gz	KCILHSDHVFDAKT-AWEZNQCLSA-N	0	0	197.281	3.218	10	0		AGAERN
c1ccc2c(c1)C[C@H](C1CCCC1)N2	3715068	169478562	/nfs/dbraw/zinc/47/85/62/169478562.db2.gz	NUWLOKGYWJWIQU-CYBMUJFWSA-N	0	0	187.286	3.213	10	0		AGAERN
c1ccc2c(c1)CCc1cocc1-2	104832892	169478753	/nfs/dbraw/zinc/47/87/53/169478753.db2.gz	LXRXSPUDOMLSHH-UHFFFAOYSA-N	0	0	170.211	3.045	10	0		AGAERN
c1ccc2c(c1)oc1cocc12	39136457	169479621	/nfs/dbraw/zinc/47/96/21/169479621.db2.gz	UGPZXOADZMYGET-UHFFFAOYSA-N	0	0	158.156	3.179	10	0		AGAERN
c1ccc2c(c1)ncc1ccsc12	34109214	169479623	/nfs/dbraw/zinc/47/96/23/169479623.db2.gz	CQMCNAJHSNWQMJ-UHFFFAOYSA-N	0	0	185.251	3.450	10	0		AGAERN
c1ccc2c(c1)cnc1ccsc12	34300860	169479733	/nfs/dbraw/zinc/47/97/33/169479733.db2.gz	HVLOJJDWXOYDBA-UHFFFAOYSA-N	0	0	185.251	3.450	10	0		AGAERN
c1ccc2c(c1)oc1occc12	39136456	169480229	/nfs/dbraw/zinc/48/02/29/169480229.db2.gz	XEVFYXBGKOHDTC-UHFFFAOYSA-N	0	0	158.156	3.179	10	0		AGAERN
c1ccn(CCC2CCCCC2)c1	37742065	169481020	/nfs/dbraw/zinc/48/10/20/169481020.db2.gz	DUEYGZUVUKBONI-UHFFFAOYSA-N	0	0	177.291	3.459	10	0		AGAERN
c1ccn(C2CCCCCC2)c1	35120229	169481163	/nfs/dbraw/zinc/48/11/63/169481163.db2.gz	APAJBAUALLVGIU-UHFFFAOYSA-N	0	0	163.264	3.383	10	0		AGAERN
c1ccc2oc(C3CCCC3)nc2c1	34408418	169481301	/nfs/dbraw/zinc/48/13/01/169481301.db2.gz	GYPGDOYRCFDICR-UHFFFAOYSA-N	0	0	187.242	3.485	10	0		AGAERN
c1ccn(CC2CCCCC2)c1	35120084	169481610	/nfs/dbraw/zinc/48/16/10/169481610.db2.gz	SSYNNXIZCQZNNP-UHFFFAOYSA-N	0	0	163.264	3.068	10	0		AGAERN
c1coc(-c2ccc3c(c2)CCCN3)c1	22201379	169484729	/nfs/dbraw/zinc/48/47/29/169484729.db2.gz	ZOURCKSSCUIABF-UHFFFAOYSA-N	0	0	199.253	3.305	10	0		AGAERN
c1csc(NCCC2CCCC2)n1	37501479	169486202	/nfs/dbraw/zinc/48/62/02/169486202.db2.gz	DKGYQXJVENVPCC-UHFFFAOYSA-N	0	0	196.319	3.135	10	0		AGAERN
c1occ2c1C[C@@H]1CCCC[C@@H]1C2	104837674	169491610	/nfs/dbraw/zinc/49/16/10/169491610.db2.gz	GEARJRAAMCVHLI-AOOOYVTPSA-N	0	0	176.259	3.185	10	0		AGAERN
Fc1ccc2ccccc2c1F	137071800	343983812	/nfs/dbraw/zinc/98/38/12/343983812.db2.gz	PDHDZHIJGXQIIH-UHFFFAOYSA-N	0	0	164.154	3.118	10	0		AGAERN
CC/C=C/c1ccc(C)cc1	137982266	343987650	/nfs/dbraw/zinc/98/76/50/343987650.db2.gz	ZULRWVHQERPKKV-SNAWJCMRSA-N	0	0	146.233	3.418	10	0		AGAERN
CCC(=O)c1cc2ccccc2s1	141485432	344006191	/nfs/dbraw/zinc/00/61/91/344006191.db2.gz	SCPHYUQOXNARBA-UHFFFAOYSA-N	0	0	190.267	3.494	10	0		AGAERN
CC(C)=C1C=CCC[C@@H]1C	142495920	344012934	/nfs/dbraw/zinc/01/29/34/344012934.db2.gz	OLYLHMZPKOUYEM-VIFPVBQESA-N	0	0	136.238	3.309	10	0		AGAERN
C=Cc1cccc(Cl)c1F	142549789	344013538	/nfs/dbraw/zinc/01/35/38/344013538.db2.gz	VPDRBHCRJOLACM-UHFFFAOYSA-N	0	0	156.587	3.122	10	0		AGAERN
CC(=O)[C@H]1CCC[C@H](C(C)C)C1	142940659	344015954	/nfs/dbraw/zinc/01/59/54/344015954.db2.gz	LARHCMQPMZMLBJ-QWRGUYRKSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1cccc2c1NC(C)(C)C=C2	142905103	344015959	/nfs/dbraw/zinc/01/59/59/344015959.db2.gz	JFXVZGPTRFDZJR-UHFFFAOYSA-N	0	0	173.259	3.212	10	0		AGAERN
Cc1ccc(Oc2ccncc2)c(C)c1	145580816	344034349	/nfs/dbraw/zinc/03/43/49/344034349.db2.gz	BUOFFPZNVIIQNA-UHFFFAOYSA-N	0	0	199.253	3.491	10	0		AGAERN
Cc1c(N)csc1-c1ccccc1	146024437	344037649	/nfs/dbraw/zinc/03/76/49/344037649.db2.gz	ALLLREMPJAZCKF-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
FC(F)(F)[C@@H]1C=Cc2ccccc21	146161428	344039305	/nfs/dbraw/zinc/03/93/05/344039305.db2.gz	JKQCZKLZDQGKFX-SECBINFHSA-N	0	0	184.160	3.359	10	0		AGAERN
C=CSc1cccc2ncccc12	249750	170993431	/nfs/dbraw/zinc/99/34/31/170993431.db2.gz	MCZYMEWLEKITQK-UHFFFAOYSA-N	0	0	187.267	3.470	10	0		AGAERN
Fc1cc(Cl)ccc1-n1cccc1	1519690	170997414	/nfs/dbraw/zinc/99/74/14/170997414.db2.gz	DQZJGKYCFAOBSP-UHFFFAOYSA-N	0	0	195.624	3.270	10	0		AGAERN
OC1(c2ccccc2)CCCCCC1	1597951	170998493	/nfs/dbraw/zinc/99/84/93/170998493.db2.gz	SVBIRSGHXXHJBT-UHFFFAOYSA-N	0	0	190.286	3.228	10	0		AGAERN
c1ccc(CC2CCCC2)cc1	1673998	170999436	/nfs/dbraw/zinc/99/94/36/170999436.db2.gz	WAAUXNSLVPBVRA-UHFFFAOYSA-N	0	0	160.260	3.419	10	0		AGAERN
CC(C)=C1C=C(C(C)C)[C@H](O)CC1	2008828	171003229	/nfs/dbraw/zinc/00/32/29/171003229.db2.gz	CYOJESZRZNCQEV-GFCCVEGCSA-N	0	0	180.291	3.060	10	0		AGAERN
CC(C)=C1C=C(C(C)C)[C@@H](O)CC1	1893289	171003389	/nfs/dbraw/zinc/00/33/89/171003389.db2.gz	CYOJESZRZNCQEV-LBPRGKRZSA-N	0	0	180.291	3.060	10	0		AGAERN
c1ccc([C@@H]2CCCSC2)cc1	2473900	171005501	/nfs/dbraw/zinc/00/55/01/171005501.db2.gz	ISEXWPHXDCRQBE-LLVKDONJSA-N	0	0	178.300	3.297	10	0		AGAERN
CC(=O)OC(CC(C)C)CC(C)C	2564136	171007430	/nfs/dbraw/zinc/00/74/30/171007430.db2.gz	XLJDNKNPKUBQMX-UHFFFAOYSA-N	0	0	186.295	3.010	10	0		AGAERN
CC/C=C/CCC(C)C	2564054	171007512	/nfs/dbraw/zinc/00/75/12/171007512.db2.gz	PVWWZQTXWUTHQT-AATRIKPKSA-N	0	0	126.243	3.389	10	0	in-vitro	AGAERN
CC(C)=C(F)N(C(C)C)C(C)C	2570097	171008046	/nfs/dbraw/zinc/00/80/46/171008046.db2.gz	AFICEDFPYZANJT-UHFFFAOYSA-N	0	0	173.275	3.326	10	0		AGAERN
C/C=C/C(F)(F)[C@H](F)C(F)(F)F	2573951	171008201	/nfs/dbraw/zinc/00/82/01/171008201.db2.gz	BBYLPZLEQAXBJE-ZPYNKGFJSA-N	0	0	192.102	3.098	10	0		AGAERN
Cc1ccccc1OC(C)(C)C	2576147	171008257	/nfs/dbraw/zinc/00/82/57/171008257.db2.gz	LSDMDIYCJNRNBA-UHFFFAOYSA-N	0	0	164.248	3.172	10	0		AGAERN
C/C=C/CCc1ccccc1	2600010	171008713	/nfs/dbraw/zinc/00/87/13/171008713.db2.gz	GLXIHKLBZUKOLW-NSCUHMNNSA-N	0	0	146.233	3.195	10	0		AGAERN
CC(=O)OC1(C)CCC(=C(C)C)CC1	4654667	171013593	/nfs/dbraw/zinc/01/35/93/171013593.db2.gz	ZKKBZSOYCMSYRW-UHFFFAOYSA-N	0	0	196.290	3.219	10	0	in-vitro	AGAERN
c1cnc2ccc3c(c2c1)CCCC3	5162100	171015307	/nfs/dbraw/zinc/01/53/07/171015307.db2.gz	JIJHRMOGEDRHAA-UHFFFAOYSA-N	0	0	183.254	3.114	10	0		AGAERN
C/C=C/C(=O)O[C@H](C)C1CCCCC1	5132760	171015563	/nfs/dbraw/zinc/01/55/63/171015563.db2.gz	ZNPGEERBEOWCEF-KFEJWOFMSA-N	0	0	196.290	3.075	10	0		AGAERN
FC(F)=C(F)OC(F)=C(F)F	5178365	171015699	/nfs/dbraw/zinc/01/56/99/171015699.db2.gz	RRZIJNVZMJUGTK-UHFFFAOYSA-N	0	0	178.031	3.073	10	0		AGAERN
C/C=C/C(=O)O[C@@H](C)C1CCCCC1	5132754	171015848	/nfs/dbraw/zinc/01/58/48/171015848.db2.gz	ZNPGEERBEOWCEF-HTZNOQTFSA-N	0	0	196.290	3.075	10	0		AGAERN
CCCCc1cc(C)nc(C)c1	5310329	171016445	/nfs/dbraw/zinc/01/64/45/171016445.db2.gz	URCODQMPKZBRCF-UHFFFAOYSA-N	0	0	163.264	3.041	10	0		AGAERN
CCCCc1cc(C)ccc1O	5647497	171017694	/nfs/dbraw/zinc/01/76/94/171017694.db2.gz	FEXBEKLLSUWSIM-UHFFFAOYSA-N	0	0	164.248	3.043	10	0	endogenous,in-man	AGAERN
CCC/C=C/C[C@H]1CCCC1=O	5819415	171017958	/nfs/dbraw/zinc/01/79/58/171017958.db2.gz	XXQYRQXKTWEIFQ-YEZKRMTDSA-N	0	0	166.264	3.102	10	0		AGAERN
CCC/C=C/C[C@@H]1CCCC1=O	5819413	171018112	/nfs/dbraw/zinc/01/81/12/171018112.db2.gz	XXQYRQXKTWEIFQ-ORAHPGNNSA-N	0	0	166.264	3.102	10	0		AGAERN
c1csc(C2CCCC2)c1	5770649	171018288	/nfs/dbraw/zinc/01/82/88/171018288.db2.gz	BNVMPFFDAMSZNK-UHFFFAOYSA-N	0	0	152.262	3.406	10	0		AGAERN
CCC/C=C/c1ccco1	5819419	171018377	/nfs/dbraw/zinc/01/83/77/171018377.db2.gz	LKSYSJTUBQSZBS-GQCTYLIASA-N	0	0	136.194	3.093	10	0	endogenous,in-man	AGAERN
CC[C@@H]1CCC[C@]1(O)c1ccccc1	7074088	171021602	/nfs/dbraw/zinc/02/16/02/171021602.db2.gz	DIVGXFIVLYBUCF-DGCLKSJQSA-N	0	0	190.286	3.084	10	0		AGAERN
O=Cc1cccc2c1[nH]c1ccccc12	36404772	171022676	/nfs/dbraw/zinc/02/26/76/171022676.db2.gz	VMHCBSGWJYTOML-UHFFFAOYSA-N	0	0	195.221	3.134	10	0		AGAERN
CC(C)(C)C(=O)CCc1cccs1	36683727	171023231	/nfs/dbraw/zinc/02/32/31/171023231.db2.gz	XQYGGJGVIGXFAC-UHFFFAOYSA-N	0	0	196.315	3.296	10	0		AGAERN
CC(=O)C[C@H](C)c1cc(C)ccc1C	11631256	171023512	/nfs/dbraw/zinc/02/35/12/171023512.db2.gz	YBDVYCSTMBSCDS-NSHDSACASA-N	0	0	190.286	3.386	10	0		AGAERN
CC(=O)C[C@H](C)c1ccc(C)cc1	11631246	171023552	/nfs/dbraw/zinc/02/35/52/171023552.db2.gz	QPTHNVGZXBEQOJ-JTQLQIEISA-N	0	0	176.259	3.078	10	0	endogenous,in-man	AGAERN
CC(=O)C[C@@H](C)c1ccc(C)cc1	11631247	171023606	/nfs/dbraw/zinc/02/36/06/171023606.db2.gz	QPTHNVGZXBEQOJ-SNVBAGLBSA-N	0	0	176.259	3.078	10	0	endogenous,in-man	AGAERN
CC(=O)C[C@@H](C)c1cc(C)ccc1C	11631257	171023713	/nfs/dbraw/zinc/02/37/13/171023713.db2.gz	YBDVYCSTMBSCDS-LLVKDONJSA-N	0	0	190.286	3.386	10	0		AGAERN
CC(=O)C[C@H](C)c1ccc(F)c(C)c1	11631268	171023767	/nfs/dbraw/zinc/02/37/67/171023767.db2.gz	PUMBOKURZFGVIF-QMMMGPOBSA-N	0	0	194.249	3.217	10	0		AGAERN
CC(=O)C[C@H](C)c1ccc(C)c(C)c1	11631254	171023773	/nfs/dbraw/zinc/02/37/73/171023773.db2.gz	XJOMSPQGACLABJ-NSHDSACASA-N	0	0	190.286	3.386	10	0		AGAERN
CC(=O)C[C@@H](C)c1ccc(C)c(C)c1	11631255	171023802	/nfs/dbraw/zinc/02/38/02/171023802.db2.gz	XJOMSPQGACLABJ-LLVKDONJSA-N	0	0	190.286	3.386	10	0		AGAERN
CC(=O)C[C@H](C)c1ccc(Cl)cc1	11631262	171023879	/nfs/dbraw/zinc/02/38/79/171023879.db2.gz	LQMBEIOVTSYLHW-QMMMGPOBSA-N	0	0	196.677	3.423	10	0		AGAERN
CC(=O)C[C@@H](C)c1ccc(F)c(C)c1	11631269	171023895	/nfs/dbraw/zinc/02/38/95/171023895.db2.gz	PUMBOKURZFGVIF-MRVPVSSYSA-N	0	0	194.249	3.217	10	0		AGAERN
CC(=O)C[C@@H](C)c1ccc(Cl)cc1	11631263	171024043	/nfs/dbraw/zinc/02/40/43/171024043.db2.gz	LQMBEIOVTSYLHW-MRVPVSSYSA-N	0	0	196.677	3.423	10	0		AGAERN
Cc1cc(NC2CCCC2)ccc1O	148383478	344054417	/nfs/dbraw/zinc/05/44/17/344054417.db2.gz	CNZCZOVGOMGFLW-UHFFFAOYSA-N	0	0	191.274	3.055	10	0		AGAERN
c1ccc(CCCc2cccnc2)cc1	13208955	171026291	/nfs/dbraw/zinc/02/62/91/171026291.db2.gz	UFTHZMUVGHIONQ-UHFFFAOYSA-N	0	0	197.281	3.257	10	0		AGAERN
CCCCCCC(=O)OC(C)(C)C	15272298	171028821	/nfs/dbraw/zinc/02/88/21/171028821.db2.gz	WLUUTGIJNRNHRF-UHFFFAOYSA-N	0	0	186.295	3.299	10	0		AGAERN
C=Cc1cc(OC)c(OC)cc1Cl	15017085	171029030	/nfs/dbraw/zinc/02/90/30/171029030.db2.gz	STIOQYJYFNVRIY-UHFFFAOYSA-N	0	0	198.649	3.000	10	0		AGAERN
CC(=O)C[C@H](C)CC(C)(C)C	17408420	171031982	/nfs/dbraw/zinc/03/19/82/171031982.db2.gz	HSCMOVWILATROF-QMMMGPOBSA-N	0	0	156.269	3.038	10	0		AGAERN
CC(=O)C[C@@H](C)CC(C)(C)C	17408422	171032313	/nfs/dbraw/zinc/03/23/13/171032313.db2.gz	HSCMOVWILATROF-MRVPVSSYSA-N	0	0	156.269	3.038	10	0		AGAERN
CC(C)CC(=O)CC(C)(C)C	17409185	171032324	/nfs/dbraw/zinc/03/23/24/171032324.db2.gz	YTMAMXJFGGHEGY-UHFFFAOYSA-N	0	0	156.269	3.038	10	0		AGAERN
c1ccc(CCCn2cccc2)cc1	37486476	171033019	/nfs/dbraw/zinc/03/30/19/171033019.db2.gz	GOXCLGZMUBXUHA-UHFFFAOYSA-N	0	0	185.270	3.121	10	0		AGAERN
CC(C)(C)SCc1ccccc1N	19869982	171036501	/nfs/dbraw/zinc/03/65/01/171036501.db2.gz	FZLDLHMLFHFXRZ-UHFFFAOYSA-N	0	0	195.331	3.301	10	0		AGAERN
CC(C)(C)Sc1ccc(F)cc1N	19869657	171036845	/nfs/dbraw/zinc/03/68/45/171036845.db2.gz	AGJWXQWMXZFTHJ-UHFFFAOYSA-N	0	0	199.294	3.299	10	0		AGAERN
c1cncc(NC2CCCCCC2)c1	19884151	171036929	/nfs/dbraw/zinc/03/69/29/171036929.db2.gz	TZLKXNGXQCHROH-UHFFFAOYSA-N	0	0	190.290	3.216	10	0		AGAERN
COc1ccc2[nH]c(C(F)F)cc2c1	21981613	171040975	/nfs/dbraw/zinc/04/09/75/171040975.db2.gz	YQMXVTBBCHMFFA-UHFFFAOYSA-N	0	0	197.184	3.114	10	0		AGAERN
CCO/C=C\c1ccccc1Cl	22054845	171041954	/nfs/dbraw/zinc/04/19/54/171041954.db2.gz	XYIKNWXBTFTORN-FPLPWBNLSA-N	0	0	182.650	3.347	10	0		AGAERN
CCCCCCNc1ccccc1N	38258634	171044146	/nfs/dbraw/zinc/04/41/46/171044146.db2.gz	RRXRZVYGVKJPRR-UHFFFAOYSA-N	0	0	192.306	3.261	10	0		AGAERN
C/C=C\CCCCCCCCO	38605708	171045027	/nfs/dbraw/zinc/04/50/27/171045027.db2.gz	XWGRSDLPOHMWEO-IHWYPQMZSA-N	0	0	170.296	3.286	10	0		AGAERN
CCC/C=C\CCCCCCO	38652213	171045228	/nfs/dbraw/zinc/04/52/28/171045228.db2.gz	HSSDVVQQUVHRTR-PLNGDYQASA-N	0	0	170.296	3.286	10	0		AGAERN
CC(=O)C[C@@H](C)CCCC(C)C	38876142	171045847	/nfs/dbraw/zinc/04/58/47/171045847.db2.gz	HISOCHLYNIFCQC-JTQLQIEISA-N	0	0	170.296	3.428	10	0		AGAERN
CC(=O)C[C@H](C)CCCC(C)C	38876140	171046006	/nfs/dbraw/zinc/04/60/06/171046006.db2.gz	HISOCHLYNIFCQC-SNVBAGLBSA-N	0	0	170.296	3.428	10	0		AGAERN
CC(C)c1cccc(C2CC2)c1O	28766339	171047774	/nfs/dbraw/zinc/04/77/74/171047774.db2.gz	IBRFCFDKAWTDFL-UHFFFAOYSA-N	0	0	176.259	3.393	10	0		AGAERN
CC(C)C(=O)Cc1cccc(Cl)c1	32009439	171049550	/nfs/dbraw/zinc/04/95/50/171049550.db2.gz	XOBJFDKVGJKYMF-UHFFFAOYSA-N	0	0	196.677	3.108	10	0		AGAERN
Cc1ccccc1SC(C)C	32150294	171049964	/nfs/dbraw/zinc/04/99/64/171049964.db2.gz	GWAFSXIHXFHSRZ-UHFFFAOYSA-N	0	0	166.289	3.496	10	0		AGAERN
O[C@@H](C1=CCCCC1)c1ccccc1	32131531	171050054	/nfs/dbraw/zinc/05/00/54/171050054.db2.gz	HXTPVTCKOJGELA-CYBMUJFWSA-N	0	0	188.270	3.220	10	0		AGAERN
Cc1ccccc1[C@@H]1CCCCC1=O	33852360	171051982	/nfs/dbraw/zinc/05/19/82/171051982.db2.gz	GIAVYZPYLHJCHT-LBPRGKRZSA-N	0	0	188.270	3.222	10	0		AGAERN
CCCCCCNc1cccc(N)c1	34017019	171052180	/nfs/dbraw/zinc/05/21/80/171052180.db2.gz	OYZRRXHPABKLLD-UHFFFAOYSA-N	0	0	192.306	3.261	10	0		AGAERN
Cc1ccccc1[C@H]1CCCCC1=O	33852361	171052315	/nfs/dbraw/zinc/05/23/15/171052315.db2.gz	GIAVYZPYLHJCHT-GFCCVEGCSA-N	0	0	188.270	3.222	10	0		AGAERN
Cc1ccccc1OC/C=C/Cl	33842028	171052556	/nfs/dbraw/zinc/05/25/56/171052556.db2.gz	CARCNJSMOZPCNK-QPJJXVBHSA-N	0	0	182.650	3.126	10	0		AGAERN
FC(F)(Cl)c1ccnc(Cl)c1	34169155	171052897	/nfs/dbraw/zinc/05/28/97/171052897.db2.gz	ADIUQQCYCCCORD-UHFFFAOYSA-N	0	0	197.999	3.023	10	0		AGAERN
CC(=O)C[C@@H]1CCCc2ccccc21	34247023	171054092	/nfs/dbraw/zinc/05/40/92/171054092.db2.gz	JRHRLCGEHYWREQ-LBPRGKRZSA-N	0	0	188.270	3.086	10	0		AGAERN
CC(C)c1ccnc(-c2ccccc2)n1	34333238	171054904	/nfs/dbraw/zinc/05/49/04/171054904.db2.gz	VJZIBKMCYSQORD-UHFFFAOYSA-N	0	0	198.269	3.267	10	0		AGAERN
S=C1Cc2ccccc2S1	34524952	171055829	/nfs/dbraw/zinc/05/58/29/171055829.db2.gz	DODWVZSLOOEOKB-UHFFFAOYSA-N	0	0	166.270	3.190	10	0		AGAERN
CC(C)(C)C(=O)CC1CCCC1	34617067	171056230	/nfs/dbraw/zinc/05/62/30/171056230.db2.gz	IPUUGTABOFXRJV-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(=O)C[C@H](C)c1cccc(Cl)c1	34619009	171056558	/nfs/dbraw/zinc/05/65/58/171056558.db2.gz	VFHPQHHHPKWPJP-QMMMGPOBSA-N	0	0	196.677	3.423	10	0		AGAERN
CC(=O)C[C@@H](C)c1cccc(Cl)c1	34619011	171056669	/nfs/dbraw/zinc/05/66/69/171056669.db2.gz	VFHPQHHHPKWPJP-MRVPVSSYSA-N	0	0	196.677	3.423	10	0		AGAERN
Fc1c(Cl)cccc1-n1cccc1	35120728	171058223	/nfs/dbraw/zinc/05/82/23/171058223.db2.gz	TXXGKOSIRUHCQN-UHFFFAOYSA-N	0	0	195.624	3.270	10	0		AGAERN
Cc1ccnc(C(=O)CC(C)(C)C)c1	35569342	171059192	/nfs/dbraw/zinc/05/91/92/171059192.db2.gz	AETMLCQUXDEBFZ-UHFFFAOYSA-N	0	0	191.274	3.009	10	0		AGAERN
CC(=O)CCC1CCCCCC1	35854926	171059787	/nfs/dbraw/zinc/05/97/87/171059787.db2.gz	ZNTYAWXDJZXGSE-UHFFFAOYSA-N	0	0	168.280	3.326	10	0		AGAERN
CC(C)(C)C(=O)C1CCCCC1	37464252	171063880	/nfs/dbraw/zinc/06/38/80/171063880.db2.gz	PRASECWTEYYQEN-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)(C)Sc1cccc(F)c1N	37420692	171063906	/nfs/dbraw/zinc/06/39/06/171063906.db2.gz	LCUQTBDCQMUDFA-UHFFFAOYSA-N	0	0	199.294	3.299	10	0		AGAERN
O[C@@H](C1CCCCC1)C1CCCC1	37465495	171064141	/nfs/dbraw/zinc/06/41/41/171064141.db2.gz	IQCGDXUMNIZNDB-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
OC1(C2CCCC2)CCCCCC1	37376065	171064225	/nfs/dbraw/zinc/06/42/25/171064225.db2.gz	MTLXBQRMRCHCHU-UHFFFAOYSA-N	0	0	182.307	3.262	10	0		AGAERN
Cc1ccccc1[C@@H](O)C(C)(C)C	37465656	171064290	/nfs/dbraw/zinc/06/42/90/171064290.db2.gz	JTMVNFRNZSTJRC-LLVKDONJSA-N	0	0	178.275	3.075	10	0		AGAERN
Cc1ccccc1[C@@H](O)CC(C)C	37465325	171064364	/nfs/dbraw/zinc/06/43/64/171064364.db2.gz	MUKLIMVVWHJVBN-LBPRGKRZSA-N	0	0	178.275	3.075	10	0		AGAERN
Cc1ccccc1[C@H](O)CC(C)C	37465323	171064404	/nfs/dbraw/zinc/06/44/04/171064404.db2.gz	MUKLIMVVWHJVBN-GFCCVEGCSA-N	0	0	178.275	3.075	10	0		AGAERN
Cc1ccccc1[C@H](O)C(C)(C)C	37465654	171064416	/nfs/dbraw/zinc/06/44/16/171064416.db2.gz	JTMVNFRNZSTJRC-NSHDSACASA-N	0	0	178.275	3.075	10	0		AGAERN
Cc1ccccc1[C@@](C)(O)CC(C)C	37379280	171064435	/nfs/dbraw/zinc/06/44/35/171064435.db2.gz	FYODQONKCJWITJ-ZDUSSCGKSA-N	0	0	192.302	3.249	10	0		AGAERN
Cc1ccccc1C1CCC(=O)CC1	71500213	171065434	/nfs/dbraw/zinc/06/54/34/171065434.db2.gz	DXLIAYMTYKXAKB-UHFFFAOYSA-N	0	0	188.270	3.222	10	0		AGAERN
CC(C)(C)Sc1cccc(N)c1	37668172	171065488	/nfs/dbraw/zinc/06/54/88/171065488.db2.gz	QSQKJCKKDFCJFE-UHFFFAOYSA-N	0	0	181.304	3.159	10	0		AGAERN
CC(C)c1cccc(NCC(F)F)c1	37755841	171065544	/nfs/dbraw/zinc/06/55/44/171065544.db2.gz	VIGNFASAYYKWPJ-UHFFFAOYSA-N	0	0	199.244	3.487	10	0		AGAERN
CC(C)(C)Sc1cc(N)cc(F)c1	37668173	171065802	/nfs/dbraw/zinc/06/58/02/171065802.db2.gz	RKHJZMQCFBKGBD-UHFFFAOYSA-N	0	0	199.294	3.299	10	0		AGAERN
CC(C)c1ccccc1NCC(F)F	37755723	171065880	/nfs/dbraw/zinc/06/58/80/171065880.db2.gz	SLFNSHNXMXFTNR-UHFFFAOYSA-N	0	0	199.244	3.487	10	0		AGAERN
Cc1ccccc1CC(=O)C(C)(C)C	37992353	171067719	/nfs/dbraw/zinc/06/77/19/171067719.db2.gz	AOBGAUKACRIWGR-UHFFFAOYSA-N	0	0	190.286	3.153	10	0		AGAERN
CCCCCC(=O)Cc1ccccc1	38125394	171068385	/nfs/dbraw/zinc/06/83/85/171068385.db2.gz	TVCMOCBSBAVAJX-UHFFFAOYSA-N	0	0	190.286	3.379	10	0		AGAERN
C=Cc1cc(C(C)C)ccc1NC	38251325	171068760	/nfs/dbraw/zinc/06/87/60/171068760.db2.gz	GCAGETGRDRCAPB-UHFFFAOYSA-N	0	0	175.275	3.495	10	0		AGAERN
OC1(c2ccccc2Cl)CCCC1	38078266	171068920	/nfs/dbraw/zinc/06/89/20/171068920.db2.gz	URMFETBGTGZBQY-UHFFFAOYSA-N	0	0	196.677	3.102	10	0		AGAERN
CC(C)O[C@H]1OC=Cc2ccccc21	38363455	171069193	/nfs/dbraw/zinc/06/91/93/171069193.db2.gz	IOSBQROYSJTKEZ-GFCCVEGCSA-N	0	0	190.242	3.111	10	0		AGAERN
CC(C)O[C@@H]1OC=Cc2ccccc21	38363456	171069463	/nfs/dbraw/zinc/06/94/63/171069463.db2.gz	IOSBQROYSJTKEZ-LBPRGKRZSA-N	0	0	190.242	3.111	10	0		AGAERN
C=C/C(=C\C)Oc1ccccc1	38282206	171069569	/nfs/dbraw/zinc/06/95/69/171069569.db2.gz	SJUZWWDFJQMBTK-ONNFQVAWSA-N	0	0	160.216	3.155	10	0		AGAERN
c1cncc(C2CCCCC2)c1	38890053	171070438	/nfs/dbraw/zinc/07/04/38/171070438.db2.gz	SITIYXVTKYBLMR-UHFFFAOYSA-N	0	0	161.248	3.129	10	0		AGAERN
CC(C)(C)[C@@H](F)C(=O)c1ccccc1	39055185	171071758	/nfs/dbraw/zinc/07/17/58/171071758.db2.gz	SSBMWZITSPQSFQ-NSHDSACASA-N	0	0	194.249	3.254	10	0		AGAERN
CC(C)C(=O)OC1CCCCC1	39089689	171074307	/nfs/dbraw/zinc/07/43/07/171074307.db2.gz	NCYRUUKFYKDKPC-UHFFFAOYSA-N	0	0	170.252	3.145	10	0		AGAERN
CC(C)c1cccc2ccncc12	39104500	171074584	/nfs/dbraw/zinc/07/45/84/171074584.db2.gz	ALOKSBSEEUPKBN-UHFFFAOYSA-N	0	0	171.243	3.358	10	0		AGAERN
CNc1ccc(C(C)C)cc1C	39103892	171074713	/nfs/dbraw/zinc/07/47/13/171074713.db2.gz	XQBKHSFRKDTCBQ-UHFFFAOYSA-N	0	0	163.264	3.160	10	0		AGAERN
CC(C)c1ccnc2c1CCCC2	39104864	171074736	/nfs/dbraw/zinc/07/47/36/171074736.db2.gz	QBUVQLWKGWQAPX-UHFFFAOYSA-N	0	0	175.275	3.084	10	0		AGAERN
CNc1ccc(C)c(C(C)C)c1	39103899	171074941	/nfs/dbraw/zinc/07/49/41/171074941.db2.gz	KQRYCJBFMBFSBF-UHFFFAOYSA-N	0	0	163.264	3.160	10	0		AGAERN
CC(C)=C(C)CO[C@@H]1C=CCCC1	39090026	171074947	/nfs/dbraw/zinc/07/49/47/171074947.db2.gz	PKQSNLMCKHLQQQ-GFCCVEGCSA-N	0	0	180.291	3.468	10	0		AGAERN
CC(C)=C(C)CO[C@H]1C=CCCC1	39090025	171074986	/nfs/dbraw/zinc/07/49/86/171074986.db2.gz	PKQSNLMCKHLQQQ-LBPRGKRZSA-N	0	0	180.291	3.468	10	0		AGAERN
COC1=CC=CC[C@@H](C(C)C)C1	39104135	171074993	/nfs/dbraw/zinc/07/49/93/171074993.db2.gz	OHNNKWNASLDTSK-SNVBAGLBSA-N	0	0	166.264	3.139	10	0		AGAERN
COC1=CC=C(C(C)C)C=CC1	39103943	171075002	/nfs/dbraw/zinc/07/50/02/171075002.db2.gz	GFVVNOIMQXDIJG-UHFFFAOYSA-N	0	0	164.248	3.059	10	0		AGAERN
CC(C)c1cn(C)cc1C(C)C	39104048	171075032	/nfs/dbraw/zinc/07/50/32/171075032.db2.gz	LPDYYYAAFACNSM-UHFFFAOYSA-N	0	0	165.280	3.272	10	0		AGAERN
CC(C)=C1CC(=O)CC1=C(C)C	39103957	171075059	/nfs/dbraw/zinc/07/50/59/171075059.db2.gz	DTDJJXNYESEPGB-UHFFFAOYSA-N	0	0	164.248	3.022	10	0		AGAERN
COC1=CC=CC[C@H](C(C)C)C1	39104136	171075100	/nfs/dbraw/zinc/07/51/00/171075100.db2.gz	OHNNKWNASLDTSK-JTQLQIEISA-N	0	0	166.264	3.139	10	0		AGAERN
CC(C)c1ccn(C(C)C)c1	39103064	171075107	/nfs/dbraw/zinc/07/51/07/171075107.db2.gz	LKKDTULPIIAYNP-UHFFFAOYSA-N	0	0	151.253	3.192	10	0		AGAERN
CCC/C=C/c1c(C)noc1C	39113204	171075234	/nfs/dbraw/zinc/07/52/34/171075234.db2.gz	XOJHTSBHNLMVEJ-VOTSOKGWSA-N	0	0	165.236	3.105	10	0		AGAERN
FC(F)(Cl)c1ccc(Cl)cn1	39117279	171075431	/nfs/dbraw/zinc/07/54/31/171075431.db2.gz	KPLBVODMCVXLAW-UHFFFAOYSA-N	0	0	197.999	3.023	10	0		AGAERN
c1csc(C2=N[C@@H]3CCC[C@@H]3C2)c1	39112147	171075761	/nfs/dbraw/zinc/07/57/61/171075761.db2.gz	KMDOQMSZVBODTM-RKDXNWHRSA-N	0	0	191.299	3.110	10	0		AGAERN
COc1ccc2c(C)c(C)ccc2c1	39119969	171076052	/nfs/dbraw/zinc/07/60/52/171076052.db2.gz	CTZCRDQJJRTRKH-UHFFFAOYSA-N	0	0	186.254	3.465	10	0		AGAERN
CCCc1nccc(-c2ccccc2)n1	39121269	171076318	/nfs/dbraw/zinc/07/63/18/171076318.db2.gz	OANOPYCINAOPJR-UHFFFAOYSA-N	0	0	198.269	3.096	10	0		AGAERN
C=Cc1c(C)oc2ccccc12	39136361	171076642	/nfs/dbraw/zinc/07/66/42/171076642.db2.gz	QCHBPUCZCHMQJL-UHFFFAOYSA-N	0	0	158.200	3.384	10	0		AGAERN
O=C1CCSc2cc(Cl)ccc21	39201130	171077050	/nfs/dbraw/zinc/07/70/50/171077050.db2.gz	LOMUZJMYCDMNFP-UHFFFAOYSA-N	0	0	198.674	3.019	10	0		AGAERN
C[C@H]1CCSc2ccccc21	39246970	171077741	/nfs/dbraw/zinc/07/77/41/171077741.db2.gz	HLJCDJBLHQKRNI-QMMMGPOBSA-N	0	0	164.273	3.286	10	0		AGAERN
C[C@H]1CC[C@@H](C(C)(C)C)CC1=O	39259774	171078053	/nfs/dbraw/zinc/07/80/53/171078053.db2.gz	WVVALRZXBLFRSJ-DTWKUNHWSA-N	0	0	168.280	3.038	10	0		AGAERN
c1ccc(CCc2ccco2)cc1	39386458	171079113	/nfs/dbraw/zinc/07/91/13/171079113.db2.gz	PPRMBHRATOCDLN-UHFFFAOYSA-N	0	0	172.227	3.065	10	0		AGAERN
COc1ccccc1C1CCCC1	39641595	171079834	/nfs/dbraw/zinc/07/98/34/171079834.db2.gz	LKXGNVYXTCFTCH-UHFFFAOYSA-N	0	0	176.259	3.353	10	0		AGAERN
Nc1ccc(F)cc1-c1cccs1	40238009	171080138	/nfs/dbraw/zinc/08/01/38/171080138.db2.gz	ZGMMRIRKIFZICK-UHFFFAOYSA-N	0	0	193.246	3.136	10	0		AGAERN
O[C@@H](CC1CCCC1)c1cccs1	40247606	171080274	/nfs/dbraw/zinc/08/02/74/171080274.db2.gz	NUNPQLCZESBLJV-JTQLQIEISA-N	0	0	196.315	3.362	10	0		AGAERN
Nc1ccc(Cl)cc1-c1ccco1	41048858	171082398	/nfs/dbraw/zinc/08/23/98/171082398.db2.gz	XBBMMKUDJUUEFA-UHFFFAOYSA-N	0	0	193.633	3.182	10	0		AGAERN
Nc1ccc(Cl)c(-c2ccco2)c1	41048869	171082510	/nfs/dbraw/zinc/08/25/10/171082510.db2.gz	LQWHBMIXGGPDDY-UHFFFAOYSA-N	0	0	193.633	3.182	10	0		AGAERN
Nc1ccc(F)c(-c2cccs2)c1	41048942	171082804	/nfs/dbraw/zinc/08/28/04/171082804.db2.gz	SEAHKKCYBSNFGW-UHFFFAOYSA-N	0	0	193.246	3.136	10	0		AGAERN
CC(C)c1cccc(OC(F)F)c1	41203419	171082974	/nfs/dbraw/zinc/08/29/74/171082974.db2.gz	PVOWNFODJAQZIQ-UHFFFAOYSA-N	0	0	186.201	3.411	10	0		AGAERN
CC(=O)CCCCc1cccs1	41202158	171082981	/nfs/dbraw/zinc/08/29/81/171082981.db2.gz	ZHEPVOJGPDGAKO-UHFFFAOYSA-N	0	0	182.288	3.050	10	0		AGAERN
CC(C)c1ccccc1OC(F)F	41203416	171083491	/nfs/dbraw/zinc/08/34/91/171083491.db2.gz	RIGAWXKHMCMIBO-UHFFFAOYSA-N	0	0	186.201	3.411	10	0		AGAERN
CC(C)c1cn(C)c2ccccc12	39104657	171084294	/nfs/dbraw/zinc/08/42/94/171084294.db2.gz	DBSCJCSYAJNLCT-UHFFFAOYSA-N	0	0	173.259	3.302	10	0		AGAERN
Cc1ccccc1[C@H](C)n1cccc1	42228242	171085725	/nfs/dbraw/zinc/08/57/25/171085725.db2.gz	TYBHETHZODHMLY-LBPRGKRZSA-N	0	0	185.270	3.406	10	0		AGAERN
Cc1ccccc1[C@@H](C)n1cccc1	42228238	171085954	/nfs/dbraw/zinc/08/59/54/171085954.db2.gz	TYBHETHZODHMLY-GFCCVEGCSA-N	0	0	185.270	3.406	10	0		AGAERN
Fc1cc(-n2cccc2)ccc1Cl	42582118	171086423	/nfs/dbraw/zinc/08/64/23/171086423.db2.gz	JTBGZGHYYWASCH-UHFFFAOYSA-N	0	0	195.624	3.270	10	0		AGAERN
CC[C@@H]1CCCc2ccccc2C1=O	43649499	171088884	/nfs/dbraw/zinc/08/88/84/171088884.db2.gz	LWXXATLWVBHINK-SNVBAGLBSA-N	0	0	188.270	3.232	10	0		AGAERN
c1csc(C2CCCCC2)n1	44122422	171089160	/nfs/dbraw/zinc/08/91/60/171089160.db2.gz	WDMHRDAAJSPVMQ-UHFFFAOYSA-N	0	0	167.277	3.191	10	0		AGAERN
CC[C@@H]1CCCc2ccccc2[C@@H]1O	44470061	171090616	/nfs/dbraw/zinc/09/06/16/171090616.db2.gz	UDSYLDZXJKCKGK-ZWNOBZJWSA-N	0	0	190.286	3.083	10	0		AGAERN
CC[C@@H]1CCCc2ccccc2[C@H]1O	44470067	171090768	/nfs/dbraw/zinc/09/07/68/171090768.db2.gz	UDSYLDZXJKCKGK-MFKMUULPSA-N	0	0	190.286	3.083	10	0		AGAERN
CC(C)CC(=O)C1CCC(C)CC1	44983343	171091321	/nfs/dbraw/zinc/09/13/21/171091321.db2.gz	KMXGUADJSORMAM-UHFFFAOYSA-N	0	0	182.307	3.428	10	0		AGAERN
C/C=C\Cc1nc2ccccc2s1	45237035	171092777	/nfs/dbraw/zinc/09/27/77/171092777.db2.gz	MZCJJDSMUNDPFT-IHWYPQMZSA-N	0	0	189.283	3.415	10	0		AGAERN
Fc1cc(-c2ccccc2)cnc1F	47207549	171093097	/nfs/dbraw/zinc/09/30/97/171093097.db2.gz	BACAKQVCLAGOBZ-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Oc1cccc(F)c1-c1ccccc1	47207600	171093106	/nfs/dbraw/zinc/09/31/06/171093106.db2.gz	BBSMHHFIIGEYCU-UHFFFAOYSA-N	0	0	188.201	3.198	10	0		AGAERN
Oc1ccc(F)c(-c2ccccc2)c1	47207598	171093129	/nfs/dbraw/zinc/09/31/29/171093129.db2.gz	ZOPSUEVCRXYLSC-UHFFFAOYSA-N	0	0	188.201	3.198	10	0		AGAERN
Cc1ccc2[nH]c(-c3ccc[nH]3)cc2c1	84707707	171093176	/nfs/dbraw/zinc/09/31/76/171093176.db2.gz	RJSSTUXMJKHRDF-UHFFFAOYSA-N	0	0	196.253	3.471	10	0		AGAERN
Cc1ccnc(F)c1-c1ccccc1	47207656	171093240	/nfs/dbraw/zinc/09/32/40/171093240.db2.gz	IAPOPRLHJIFSFF-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Oc1cc(-c2ccccc2)ccc1F	47207608	171093303	/nfs/dbraw/zinc/09/33/03/171093303.db2.gz	RXZOPIWMLFUOFO-UHFFFAOYSA-N	0	0	188.201	3.198	10	0		AGAERN
Fc1cc(-c2ccccc2F)ccn1	47204570	171093376	/nfs/dbraw/zinc/09/33/76/171093376.db2.gz	FTMWUWCDUPLKJS-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
Oc1c(F)cccc1-c1ccccc1	47207602	171093463	/nfs/dbraw/zinc/09/34/63/171093463.db2.gz	DBKFWHQCRWRTIG-UHFFFAOYSA-N	0	0	188.201	3.198	10	0		AGAERN
Oc1ccc(F)cc1-c1ccccc1	47207610	171093534	/nfs/dbraw/zinc/09/35/34/171093534.db2.gz	PODDZNLTRWYIJO-UHFFFAOYSA-N	0	0	188.201	3.198	10	0		AGAERN
Fc1cc(F)cc(-c2cccnc2)c1	47216127	171094321	/nfs/dbraw/zinc/09/43/21/171094321.db2.gz	GQLYTLVHQCESNY-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
CC(C)(O)CCc1ccccc1Cl	49811930	171095107	/nfs/dbraw/zinc/09/51/07/171095107.db2.gz	IGCAKHBVVSREDE-UHFFFAOYSA-N	0	0	198.693	3.044	10	0		AGAERN
CC(C)(O)CCc1ccc(Cl)cc1	49811934	171095133	/nfs/dbraw/zinc/09/51/33/171095133.db2.gz	WSEDIIWBJAOSPS-UHFFFAOYSA-N	0	0	198.693	3.044	10	0		AGAERN
O[C@@H](C1=CCCC1)C1CCCCC1	50329235	171095469	/nfs/dbraw/zinc/09/54/69/171095469.db2.gz	XBBXTBRVQRGVSS-GFCCVEGCSA-N	0	0	180.291	3.038	10	0		AGAERN
O[C@@H](CC1CCCC1)C1=CCCC1	50329226	171095595	/nfs/dbraw/zinc/09/55/95/171095595.db2.gz	OLDIJVLXZDPQCS-LBPRGKRZSA-N	0	0	180.291	3.038	10	0		AGAERN
O[C@@H](C1=CCCCC1)c1ccsc1	50328884	171095606	/nfs/dbraw/zinc/09/56/06/171095606.db2.gz	QNJCMAUVMHCZSY-NSHDSACASA-N	0	0	194.299	3.282	10	0		AGAERN
O[C@@H](C1=CCCCC1)C1CCCCC1	50328920	171095620	/nfs/dbraw/zinc/09/56/20/171095620.db2.gz	ZTVUTLRMAWJDNY-ZDUSSCGKSA-N	0	0	194.318	3.428	10	0		AGAERN
Cc1ccccc1[C@H](O)C1=CCCC1	50329224	171095685	/nfs/dbraw/zinc/09/56/85/171095685.db2.gz	VEOPMOBFPFALED-CYBMUJFWSA-N	0	0	188.270	3.139	10	0		AGAERN
O[C@@H](C1=CCCCC1)C1CCCC1	50329029	171095779	/nfs/dbraw/zinc/09/57/79/171095779.db2.gz	ZCVGWMQFOKPRJV-LBPRGKRZSA-N	0	0	180.291	3.038	10	0		AGAERN
O[C@@H](CC1CCCC1)C1=CCCCC1	50328912	171095808	/nfs/dbraw/zinc/09/58/08/171095808.db2.gz	RSFKOFHIEOAVCA-ZDUSSCGKSA-N	0	0	194.318	3.428	10	0		AGAERN
O[C@@H](CC1CCCCC1)C1=CCCC1	50329123	171095992	/nfs/dbraw/zinc/09/59/92/171095992.db2.gz	GWITUBDBDHUIKM-ZDUSSCGKSA-N	0	0	194.318	3.428	10	0		AGAERN
O[C@@H](C1=CCCCC1)c1cccs1	50328864	171096161	/nfs/dbraw/zinc/09/61/61/171096161.db2.gz	OYQIASVKOBTJEN-NSHDSACASA-N	0	0	194.299	3.282	10	0		AGAERN
Cc1ccccc1[C@@H](O)C1=CCCC1	50329225	171096206	/nfs/dbraw/zinc/09/62/06/171096206.db2.gz	VEOPMOBFPFALED-ZDUSSCGKSA-N	0	0	188.270	3.139	10	0		AGAERN
CC(C)(C)Sc1cc(F)ccc1N	52122412	171097596	/nfs/dbraw/zinc/09/75/96/171097596.db2.gz	NQHIXVDOHCAKSJ-UHFFFAOYSA-N	0	0	199.294	3.299	10	0		AGAERN
CC/C=C/c1ccccc1F	59188679	171101522	/nfs/dbraw/zinc/10/15/22/171101522.db2.gz	YSNQDXUVWKGVFO-ZZXKWVIFSA-N	0	0	150.196	3.249	10	0		AGAERN
Cc1ccc(CCc2ccc(C)o2)o1	148607591	344056431	/nfs/dbraw/zinc/05/64/31/344056431.db2.gz	CCCAWAYSUCVACK-UHFFFAOYSA-N	0	0	190.242	3.275	10	0		AGAERN
S=C1N=C(c2ccsc2)CS1	70559629	171106736	/nfs/dbraw/zinc/10/67/36/171106736.db2.gz	WUGFQMHRHNODOU-UHFFFAOYSA-N	0	0	199.325	3.160	10	0		AGAERN
Cc1ccc2[nH]cc(C(=O)C3CC3)c2c1	71487664	171107254	/nfs/dbraw/zinc/10/72/54/171107254.db2.gz	HGUKMPWNXFAMFR-UHFFFAOYSA-N	0	0	199.253	3.069	10	0		AGAERN
Oc1cccc(CC2CCCC2)c1	71494918	171107292	/nfs/dbraw/zinc/10/72/92/171107292.db2.gz	BDHWCWNLBAQIAD-UHFFFAOYSA-N	0	0	176.259	3.125	10	0		AGAERN
Fc1cc(F)c2c(Cl)nccc2c1	71482449	171107307	/nfs/dbraw/zinc/10/73/07/171107307.db2.gz	SHHIXBDSERYEQW-UHFFFAOYSA-N	0	0	199.587	3.166	10	0		AGAERN
CNc1ccc(C)c2ccccc12	71450934	171107310	/nfs/dbraw/zinc/10/73/10/171107310.db2.gz	QVVZEASMFMGIAA-UHFFFAOYSA-N	0	0	171.243	3.190	10	0		AGAERN
Oc1ccc(CC2CCCC2)cc1	71494914	171107402	/nfs/dbraw/zinc/10/74/02/171107402.db2.gz	YJCJDFPPPBBKHO-UHFFFAOYSA-N	0	0	176.259	3.125	10	0		AGAERN
C/C=C/C(F)(F)[C@@H](F)C(F)(F)F	71791856	171108734	/nfs/dbraw/zinc/10/87/34/171108734.db2.gz	BBYLPZLEQAXBJE-FSSWKIGTSA-N	0	0	192.102	3.098	10	0		AGAERN
CC(C)/C=C/CC(C)C	72099243	171109420	/nfs/dbraw/zinc/10/94/20/171109420.db2.gz	KDISTZUHDQPXDE-AATRIKPKSA-N	0	0	126.243	3.245	10	0	in-vitro	AGAERN
CC(C)c1ccoc1Br	72191907	171109460	/nfs/dbraw/zinc/10/94/60/171109460.db2.gz	VDYKJJZIDOENNB-UHFFFAOYSA-N	0	0	189.052	3.166	10	0		AGAERN
CC(C)/C=C/c1ccccc1O	75545406	171112904	/nfs/dbraw/zinc/11/29/04/171112904.db2.gz	GHWJXMOSGFPZSG-BQYQJAHWSA-N	0	0	162.232	3.061	10	0		AGAERN
CC(C)/C=C/c1ccc(O)cc1	75545407	171113024	/nfs/dbraw/zinc/11/30/24/171113024.db2.gz	GXYXTXDETQMQQZ-ONEGZZNKSA-N	0	0	162.232	3.061	10	0		AGAERN
O=Cc1ccccc1C1=CCCC1	75562770	171113239	/nfs/dbraw/zinc/11/32/39/171113239.db2.gz	TWBVEWUPVNHYTE-UHFFFAOYSA-N	0	0	172.227	3.066	10	0		AGAERN
CC(C)(C)SCc1ccccc1O	75599517	171114208	/nfs/dbraw/zinc/11/42/08/171114208.db2.gz	QOGALEFQUQTCJB-UHFFFAOYSA-N	0	0	196.315	3.424	10	0		AGAERN
Nc1ccc(F)cc1C1CCCC1	75841021	171115025	/nfs/dbraw/zinc/11/50/25/171115025.db2.gz	YINUEKPPCZNLAW-UHFFFAOYSA-N	0	0	179.238	3.066	10	0		AGAERN
Oc1ccc(C2CCCC2)cc1F	75841020	171115047	/nfs/dbraw/zinc/11/50/47/171115047.db2.gz	HNCXGZZCHWTCAP-UHFFFAOYSA-N	0	0	180.222	3.189	10	0		AGAERN
Fc1cc(F)cc(-c2cscn2)c1	75838430	171115118	/nfs/dbraw/zinc/11/51/18/171115118.db2.gz	ZWZHCAIYTDVTEZ-UHFFFAOYSA-N	0	0	197.209	3.088	10	0		AGAERN
Oc1ccc(C2CCCC2)c(F)c1	75840533	171115126	/nfs/dbraw/zinc/11/51/26/171115126.db2.gz	JTTBZJPSFHBVMU-UHFFFAOYSA-N	0	0	180.222	3.189	10	0		AGAERN
CC(C)c1cccc(F)c1F	75838808	171115131	/nfs/dbraw/zinc/11/51/31/171115131.db2.gz	LEXVIFZWCHIYMD-UHFFFAOYSA-N	0	0	156.175	3.088	10	0		AGAERN
CC(C)c1ccccc1[C@H](O)C(C)C	75853968	171115181	/nfs/dbraw/zinc/11/51/81/171115181.db2.gz	BLXUCCJTJJTAMZ-CYBMUJFWSA-N	0	0	192.302	3.499	10	0		AGAERN
Oc1ccc(F)cc1C1CCCC1	75840530	171115216	/nfs/dbraw/zinc/11/52/16/171115216.db2.gz	RHZOVOWNNGOLJA-UHFFFAOYSA-N	0	0	180.222	3.189	10	0		AGAERN
CNc1ccc(C(C)C)c(C)c1	75824458	171115223	/nfs/dbraw/zinc/11/52/23/171115223.db2.gz	AFHGPFIMPDLOFT-UHFFFAOYSA-N	0	0	163.264	3.160	10	0		AGAERN
CC(C)c1ccccc1[C@@H](O)C(C)C	75853969	171115246	/nfs/dbraw/zinc/11/52/46/171115246.db2.gz	BLXUCCJTJJTAMZ-ZDUSSCGKSA-N	0	0	192.302	3.499	10	0		AGAERN
Fc1ccc(C2CCCC2)cc1	75840515	171115323	/nfs/dbraw/zinc/11/53/23/171115323.db2.gz	YKHLOTGZLJBYDY-UHFFFAOYSA-N	0	0	164.223	3.483	10	0		AGAERN
Cc1ccc2[nH]c(C(F)(F)F)cc2c1	76637720	171119431	/nfs/dbraw/zinc/11/94/31/171119431.db2.gz	ADQKEFOKYLYTDZ-UHFFFAOYSA-N	0	0	199.175	3.495	10	0		AGAERN
CC(C)c1cccc2cc(C=O)oc12	82391425	171121671	/nfs/dbraw/zinc/12/16/71/171121671.db2.gz	WTLZQJFLOMJUNN-UHFFFAOYSA-N	0	0	188.226	3.369	10	0		AGAERN
Fc1cc(F)c2ccnc(Cl)c2c1	82766581	171124742	/nfs/dbraw/zinc/12/47/42/171124742.db2.gz	AGYBZHJOAQNXGM-UHFFFAOYSA-N	0	0	199.587	3.166	10	0		AGAERN
Cc1ccnc(Cl)c1NCC(C)C	83343041	171130809	/nfs/dbraw/zinc/13/08/09/171130809.db2.gz	MZNIQTJIFHDDDO-UHFFFAOYSA-N	0	0	198.697	3.111	10	0		AGAERN
CC(C)=C1C=C[C@@H](C)CC1	85529927	171132169	/nfs/dbraw/zinc/13/21/69/171132169.db2.gz	CIPXOBMYVWRNLL-SECBINFHSA-N	0	0	136.238	3.309	10	0	biogenic,in-vitro	AGAERN
CC(C)=C1C=C[C@H](C)CC1	86034096	171132567	/nfs/dbraw/zinc/13/25/67/171132567.db2.gz	CIPXOBMYVWRNLL-VIFPVBQESA-N	0	0	136.238	3.309	10	0		AGAERN
C/C=C/CC1=C(C)CCC1	86865010	171132940	/nfs/dbraw/zinc/13/29/40/171132940.db2.gz	QUQOZOBHIUEDSV-ONEGZZNKSA-N	0	0	136.238	3.453	10	0		AGAERN
ClC(Cl)=Cc1ccccc1	90476633	171133736	/nfs/dbraw/zinc/13/37/36/171133736.db2.gz	CISIJYCKDJSTMX-UHFFFAOYSA-N	0	0	173.042	3.463	10	0		AGAERN
C/C=C\C(=C\CC)c1ccncc1	91365806	171134489	/nfs/dbraw/zinc/13/44/89/171134489.db2.gz	KGUABZAFRKUJIC-BCROLJGLSA-N	0	0	173.259	3.451	10	0		AGAERN
c1ccc(CCOC2CCCC2)cc1	90751216	171134543	/nfs/dbraw/zinc/13/45/43/171134543.db2.gz	WVOZHIRBKFYTDG-UHFFFAOYSA-N	0	0	190.286	3.188	10	0		AGAERN
C/C=C\C(=C/CC)c1ccncc1	91365805	171134635	/nfs/dbraw/zinc/13/46/35/171134635.db2.gz	KGUABZAFRKUJIC-GGKXIICKSA-N	0	0	173.259	3.451	10	0		AGAERN
C/C=C/C(=C\CC)c1ccncc1	91365807	171134652	/nfs/dbraw/zinc/13/46/52/171134652.db2.gz	KGUABZAFRKUJIC-JFDBYLHYSA-N	0	0	173.259	3.451	10	0		AGAERN
C/C=C/C(=C/CC)c1ccncc1	91365808	171134773	/nfs/dbraw/zinc/13/47/73/171134773.db2.gz	KGUABZAFRKUJIC-FPFHCWEWSA-N	0	0	173.259	3.451	10	0		AGAERN
CC(C)c1cccc(O)c1CC1CC1	95710535	171137137	/nfs/dbraw/zinc/13/71/37/171137137.db2.gz	XSZOLOYVGNUDPX-UHFFFAOYSA-N	0	0	190.286	3.468	10	0		AGAERN
CC(C)c1ccccc1OC1CC1	95723519	171137280	/nfs/dbraw/zinc/13/72/80/171137280.db2.gz	UVGZBUMFATUSKW-UHFFFAOYSA-N	0	0	176.259	3.351	10	0		AGAERN
CC(C)c1cccc(OC2CC2)c1F	95719748	171137405	/nfs/dbraw/zinc/13/74/05/171137405.db2.gz	MRURPJIKYBNWEA-UHFFFAOYSA-N	0	0	194.249	3.490	10	0		AGAERN
CC(C)c1cccc(F)c1OC1CC1	95719640	171137613	/nfs/dbraw/zinc/13/76/13/171137613.db2.gz	VKHONWYOQLKWOT-UHFFFAOYSA-N	0	0	194.249	3.490	10	0		AGAERN
CC(C)c1cccc(CC2CC2)c1O	95710531	171137656	/nfs/dbraw/zinc/13/76/56/171137656.db2.gz	NQOXXVGXEISTAZ-UHFFFAOYSA-N	0	0	190.286	3.468	10	0		AGAERN
Fc1cc(Cl)cc(OC2CC2)c1	95734212	171138135	/nfs/dbraw/zinc/13/81/35/171138135.db2.gz	TXDARGCBGQEDGM-UHFFFAOYSA-N	0	0	186.613	3.020	10	0		AGAERN
CC(C)c1cccc(OC2CC2)c1	95726378	171138154	/nfs/dbraw/zinc/13/81/54/171138154.db2.gz	YFHKLOSTVTZALA-UHFFFAOYSA-N	0	0	176.259	3.351	10	0		AGAERN
Cc1ccnc(C(C)C)c1OC1CC1	95727656	171138196	/nfs/dbraw/zinc/13/81/96/171138196.db2.gz	ULMDXUFAKJEFHM-UHFFFAOYSA-N	0	0	191.274	3.055	10	0		AGAERN
Fc1cc(Cl)ccc1OC1CC1	95742226	171138670	/nfs/dbraw/zinc/13/86/70/171138670.db2.gz	QCJHVTLFAIBRHG-UHFFFAOYSA-N	0	0	186.613	3.020	10	0		AGAERN
CC/C=C/[C@]1(F)C=CC=CC1	95923623	171140242	/nfs/dbraw/zinc/14/02/42/171140242.db2.gz	YIBLIJBKOKWOGI-HTZNOQTFSA-N	0	0	152.212	3.177	10	0		AGAERN
CC/C=C/[C@@]1(F)C=CC=CC1	95923622	171140489	/nfs/dbraw/zinc/14/04/89/171140489.db2.gz	YIBLIJBKOKWOGI-KFEJWOFMSA-N	0	0	152.212	3.177	10	0		AGAERN
C/C=C\CCc1ccccc1	95933147	171140742	/nfs/dbraw/zinc/14/07/42/171140742.db2.gz	GLXIHKLBZUKOLW-IHWYPQMZSA-N	0	0	146.233	3.195	10	0		AGAERN
C[C@H]1CC[C@@H](C)[C@@H](C)C1	100199960	171143980	/nfs/dbraw/zinc/14/39/80/171143980.db2.gz	VCJPCEVERINRSG-YIZRAAEISA-N	0	0	126.243	3.079	10	0		AGAERN
O=C(c1ccccc1)C(Cl)Cl	100195550	171143984	/nfs/dbraw/zinc/14/39/84/171143984.db2.gz	WIAUSNHGBMNTFI-UHFFFAOYSA-N	0	0	189.041	3.348	10	0		AGAERN
CC(=O)C1=CCCCCCC1	100220097	171144505	/nfs/dbraw/zinc/14/45/05/171144505.db2.gz	BFPPOZFQSMYUPZ-YHVCTJCUSA-N	0	0	152.237	3.339	10	0		AGAERN
N/C(=C/c1ccccc1)c1ccccc1	100492527	171144828	/nfs/dbraw/zinc/14/48/28/171144828.db2.gz	XFLTXYRMEZIEOG-SDNWHVSQSA-N	0	0	195.265	3.143	10	0		AGAERN
CC(C)C(=O)CCCc1cccs1	41207401	171146731	/nfs/dbraw/zinc/14/67/31/171146731.db2.gz	OQISMNBHGSQCOM-UHFFFAOYSA-N	0	0	196.315	3.296	10	0		AGAERN
O=C1CC(c2ccccc2)=CS1	103628050	171147485	/nfs/dbraw/zinc/14/74/85/171147485.db2.gz	KMJMIIJYJWDKEO-UHFFFAOYSA-N	0	0	176.240	3.121	10	0		AGAERN
O=C1CC(c2cccc(F)c2)=CS1	103628137	171147503	/nfs/dbraw/zinc/14/75/03/171147503.db2.gz	JUVBTODRRUEDHL-UHFFFAOYSA-N	0	0	194.230	3.260	10	0		AGAERN
O=C1CC(C2CCCC2)=CS1	103628112	171147515	/nfs/dbraw/zinc/14/75/15/171147515.db2.gz	TYPFPAGRGFJIGF-UHFFFAOYSA-N	0	0	168.261	3.111	10	0		AGAERN
O=C1CC(c2ccccc2F)=CS1	103628065	171147522	/nfs/dbraw/zinc/14/75/22/171147522.db2.gz	XKPHBKLHLJCWCM-UHFFFAOYSA-N	0	0	194.230	3.260	10	0		AGAERN
O=C1CC(c2ccc(F)cc2)=CS1	103628143	171147567	/nfs/dbraw/zinc/14/75/67/171147567.db2.gz	MPYIUOLFOMEBHI-UHFFFAOYSA-N	0	0	194.230	3.260	10	0		AGAERN
ClC1(Br)CCCCC1	104837451	171147841	/nfs/dbraw/zinc/14/78/41/171147841.db2.gz	UBZCSWBOEYAFNJ-UHFFFAOYSA-N	0	0	197.503	3.281	10	0		AGAERN
CO[C@@H](C)C1=Cc2ccccc2[C@@H]1C	104834695	171147889	/nfs/dbraw/zinc/14/78/89/171147889.db2.gz	YXYWTKWHBHASSA-UWVGGRQHSA-N	0	0	188.270	3.222	10	0		AGAERN
FC(=C1CCCCC1)C(F)F	104838039	171148109	/nfs/dbraw/zinc/14/81/09/171148109.db2.gz	PTRNYCHHNSBVJT-UHFFFAOYSA-N	0	0	164.170	3.439	10	0		AGAERN
CO[C@@H](C)C1=Cc2ccccc2[C@H]1C	104834693	171148179	/nfs/dbraw/zinc/14/81/79/171148179.db2.gz	YXYWTKWHBHASSA-ZJUUUORDSA-N	0	0	188.270	3.222	10	0		AGAERN
Cc1ccccc1[C@@H](O)CCC(C)C	43374229	171150435	/nfs/dbraw/zinc/15/04/35/171150435.db2.gz	GDUQQNYJTXAVQX-ZDUSSCGKSA-N	0	0	192.302	3.465	10	0		AGAERN
Cc1ccccc1[C@H](O)CCC(C)C	43374227	171150615	/nfs/dbraw/zinc/15/06/15/171150615.db2.gz	GDUQQNYJTXAVQX-CYBMUJFWSA-N	0	0	192.302	3.465	10	0		AGAERN
C/C=C\CCCC(OCC)OCC	43875641	171151719	/nfs/dbraw/zinc/15/17/19/171151719.db2.gz	TUDAXQOBUXFPQB-DAXSKMNVSA-N	0	0	186.295	3.132	10	0		AGAERN
CC(=O)CCCCCc1ccccc1	44082639	171151879	/nfs/dbraw/zinc/15/18/79/171151879.db2.gz	OFTHNFJNLGTFTO-UHFFFAOYSA-N	0	0	190.286	3.379	10	0		AGAERN
Fc1ccc(C(F)F)c(F)c1F	112731930	171153750	/nfs/dbraw/zinc/15/37/50/171153750.db2.gz	DFRYLFZTEQJOKJ-UHFFFAOYSA-N	0	0	182.091	3.042	10	0		AGAERN
CC(C)C(=O)CCCC(C)(C)C	49255507	171153797	/nfs/dbraw/zinc/15/37/97/171153797.db2.gz	ZINWCVYFRPJVGS-UHFFFAOYSA-N	0	0	170.296	3.428	10	0		AGAERN
Cc1ccccc1Cn1c(C)ccc1C	49942810	171155183	/nfs/dbraw/zinc/15/51/83/171155183.db2.gz	HSVKLRBVWMTPPL-UHFFFAOYSA-N	0	0	199.297	3.462	10	0		AGAERN
O[C@@H](CCC1CCCC1)C1=CCCC1	50329242	171155800	/nfs/dbraw/zinc/15/58/00/171155800.db2.gz	QVWOJQDHCMHXNH-ZDUSSCGKSA-N	0	0	194.318	3.428	10	0		AGAERN
CC[C@@H](C)C(=O)C(C)(C)CC	162796205	171163541	/nfs/dbraw/zinc/16/35/41/171163541.db2.gz	ZAKXLVUORPJIFS-MRVPVSSYSA-N	0	0	156.269	3.038	10	0		AGAERN
c1c[nH]c(-c2ccc(-c3ccc[nH]3)[nH]2)c1	2518835	171163570	/nfs/dbraw/zinc/16/35/70/171163570.db2.gz	ZQZGBCKEODHDGQ-UHFFFAOYSA-N	0	0	197.241	3.005	10	0		AGAERN
Cc1ccccc1Nc1ccc(O)cc1	2507114	171163617	/nfs/dbraw/zinc/16/36/17/171163617.db2.gz	YFEJFIBZPXJRSI-UHFFFAOYSA-N	0	0	199.253	3.444	10	0		AGAERN
CC(C)=CC(C)(C)COC(=O)C(C)C	3603344	171164493	/nfs/dbraw/zinc/16/44/93/171164493.db2.gz	SVFCYIJQNSHBGU-UHFFFAOYSA-N	0	0	198.306	3.178	10	0		AGAERN
CC(C)=CCC/C(C)=C\[C@@H](C)O	6032391	171164989	/nfs/dbraw/zinc/16/49/89/171164989.db2.gz	NYPOJSCNHYUZRG-HIJJYWJESA-N	0	0	168.280	3.060	10	0		AGAERN
C/C=C(/C)c1cccc2c1NCC2	165510721	171165107	/nfs/dbraw/zinc/16/51/07/171165107.db2.gz	KURKUJLCQZKWGH-OQFOIZHKSA-N	0	0	173.259	3.078	10	0		AGAERN
CC(C)=CCC/C(C)=C\[C@H](C)O	6019941	171165114	/nfs/dbraw/zinc/16/51/14/171165114.db2.gz	NYPOJSCNHYUZRG-IEHMKBBKSA-N	0	0	168.280	3.060	10	0		AGAERN
C=CSc1ccc(C)cc1	38890537	171165379	/nfs/dbraw/zinc/16/53/79/171165379.db2.gz	RNVDLDAMMFSMIG-UHFFFAOYSA-N	0	0	150.246	3.231	10	0		AGAERN
C[Si](C)(C)Cc1ccc(F)cc1	169975239	171166205	/nfs/dbraw/zinc/16/62/05/171166205.db2.gz	DRMOHBPANQTRSK-UHFFFAOYSA-N	0	0	182.314	3.246	10	0		AGAERN
C/C=C\CSc1ccccc1	13380317	171166490	/nfs/dbraw/zinc/16/64/90/171166490.db2.gz	BNNLEMHAUPCSCL-IHWYPQMZSA-N	0	0	164.273	3.355	10	0		AGAERN
CCC/C=C/CCCCCCO	14825664	171167750	/nfs/dbraw/zinc/16/77/50/171167750.db2.gz	HSSDVVQQUVHRTR-SNAWJCMRSA-N	0	0	170.296	3.286	10	0		AGAERN
C[Si](C)(C)CSc1ccccn1	195798349	171169914	/nfs/dbraw/zinc/16/99/14/171169914.db2.gz	APQOORZJMWGMGV-UHFFFAOYSA-N	0	0	197.379	3.051	10	0		AGAERN
C[Si](C)(C)C/C=C/Cl	195801320	171170372	/nfs/dbraw/zinc/17/03/72/171170372.db2.gz	PCULCDOARKKVRX-SNAWJCMRSA-N	0	0	148.709	3.077	10	0		AGAERN
C[Si](C)(C)CCCc1ccccn1	196616513	171171642	/nfs/dbraw/zinc/17/16/42/171171642.db2.gz	VASQSIRDYAESID-UHFFFAOYSA-N	0	0	193.366	3.352	10	0		AGAERN
C[Si](C)(C)CCCc1cccnc1	196616529	171171651	/nfs/dbraw/zinc/17/16/51/171171651.db2.gz	ZZMJFUYAOUMHQI-UHFFFAOYSA-N	0	0	193.366	3.352	10	0		AGAERN
CNc1ccc(C(C)(C)C)cc1C	82587865	171172972	/nfs/dbraw/zinc/17/29/72/171172972.db2.gz	PDBCDFBPVNZYKD-UHFFFAOYSA-N	0	0	177.291	3.334	10	0		AGAERN
CCNc1ccc(CC(C)C)cc1	82587866	171173000	/nfs/dbraw/zinc/17/30/00/171173000.db2.gz	YAOBFUZHMPWCEW-UHFFFAOYSA-N	0	0	177.291	3.317	10	0		AGAERN
CCNc1ccc(C(C)C)cc1OC	82588762	171173605	/nfs/dbraw/zinc/17/36/05/171173605.db2.gz	CICJXUANFZNHBJ-UHFFFAOYSA-N	0	0	193.290	3.250	10	0		AGAERN
Clc1ccc(C2CCC2)nc1	211566626	171178640	/nfs/dbraw/zinc/17/86/40/171178640.db2.gz	BWKPEBKUVYVFIO-UHFFFAOYSA-N	0	0	167.639	3.003	10	0		AGAERN
CCCCc1ccc(N)cc1Cl	83255061	171180186	/nfs/dbraw/zinc/18/01/86/171180186.db2.gz	ZTIRAMNFQIAQLI-UHFFFAOYSA-N	0	0	183.682	3.265	10	0		AGAERN
CCCCc1ccc(Cl)c(N)c1	83255055	171180349	/nfs/dbraw/zinc/18/03/49/171180349.db2.gz	IJIHERNYTMAAPT-UHFFFAOYSA-N	0	0	183.682	3.265	10	0		AGAERN
CCCCc1cc(N)ccc1Cl	83255059	171180616	/nfs/dbraw/zinc/18/06/16/171180616.db2.gz	JAHFDAQIJWCXHP-UHFFFAOYSA-N	0	0	183.682	3.265	10	0		AGAERN
CCC(/C=C/c1noc(C)c1N)CC	22144740	171182589	/nfs/dbraw/zinc/18/25/89/171182589.db2.gz	LXWIXULPKRQFDN-VOTSOKGWSA-N	0	0	194.278	3.015	10	0		AGAERN
c1ccc(C2Nc3ccccc3N2)cc1	25500212	171183209	/nfs/dbraw/zinc/18/32/09/171183209.db2.gz	UDXQSXSFXPUXRY-UHFFFAOYSA-N	0	0	196.253	3.223	10	0		AGAERN
Cc1ccccc1CC(=O)CC(C)C	32008307	171183657	/nfs/dbraw/zinc/18/36/57/171183657.db2.gz	WFDTYGGNPFGTHD-UHFFFAOYSA-N	0	0	190.286	3.153	10	0		AGAERN
CC(C)C(=O)CCCc1ccccc1	32008277	171183903	/nfs/dbraw/zinc/18/39/03/171183903.db2.gz	RLNZSOHGFAQPJU-UHFFFAOYSA-N	0	0	190.286	3.234	10	0		AGAERN
CC/C=C/C=C\CCCCCCO	33953561	171184109	/nfs/dbraw/zinc/18/41/09/171184109.db2.gz	SSGXHMNJZLXQIW-ICWBMWKASA-N	0	0	182.307	3.452	10	0		AGAERN
CC(C)=CCC/C(C)=C/[C@H](C)O	33841553	171184488	/nfs/dbraw/zinc/18/44/88/171184488.db2.gz	NYPOJSCNHYUZRG-UQSGXBNBSA-N	0	0	168.280	3.060	10	0	endogenous,in-man	AGAERN
CC(=O)CCCC1CCCCC1	34088219	171184589	/nfs/dbraw/zinc/18/45/89/171184589.db2.gz	AMJMGJLZIFEFML-UHFFFAOYSA-N	0	0	168.280	3.326	10	0		AGAERN
CC(C)=CCC/C(C)=C/[C@@H](C)O	33841554	171184601	/nfs/dbraw/zinc/18/46/01/171184601.db2.gz	NYPOJSCNHYUZRG-RJCSOLBVSA-N	0	0	168.280	3.060	10	0	endogenous,in-man	AGAERN
CC(=O)C[C@@H](C)Sc1ccoc1C	34426378	171184962	/nfs/dbraw/zinc/18/49/62/171184962.db2.gz	IOYZHTDTSREIIH-MRVPVSSYSA-N	0	0	198.287	3.048	10	0		AGAERN
CC(=O)C[C@H](C)Sc1ccoc1C	34426377	171185111	/nfs/dbraw/zinc/18/51/11/171185111.db2.gz	IOYZHTDTSREIIH-QMMMGPOBSA-N	0	0	198.287	3.048	10	0		AGAERN
C=Cc1[nH]c2ccccc2c1C=C	90734958	171188279	/nfs/dbraw/zinc/18/82/79/171188279.db2.gz	BHYZBQXMTGCESK-UHFFFAOYSA-N	0	0	169.227	3.454	10	0		AGAERN
c1c[nH]c(-c2nc(C3CC3)cs2)c1	124445132	171192720	/nfs/dbraw/zinc/19/27/20/171192720.db2.gz	CYMJQMPFQVTMFN-UHFFFAOYSA-N	0	0	190.271	3.016	10	0		AGAERN
CC(C)c1ccnc2cc(F)ccc12	77255218	171196285	/nfs/dbraw/zinc/19/62/85/171196285.db2.gz	ICNPSUQWJKZWMJ-UHFFFAOYSA-N	0	0	189.233	3.497	10	0		AGAERN
CC(C)c1ccnc2ccc(F)cc12	77255210	171196586	/nfs/dbraw/zinc/19/65/86/171196586.db2.gz	PXKWUZKUBTXIBF-UHFFFAOYSA-N	0	0	189.233	3.497	10	0		AGAERN
Cc1ccccc1CC(C)C	90767824	171197138	/nfs/dbraw/zinc/19/71/38/171197138.db2.gz	XNMPJDZAHSMAMN-UHFFFAOYSA-N	0	0	148.249	3.194	10	0		AGAERN
CC(C)c1cccc2c1O[C@H](C)CN2	62521216	171197457	/nfs/dbraw/zinc/19/74/57/171197457.db2.gz	HRKXMGWATWIQPO-SECBINFHSA-N	0	0	191.274	3.003	10	0		AGAERN
CC(C)c1cccc2c1O[C@@H](C)CN2	62521220	171197546	/nfs/dbraw/zinc/19/75/46/171197546.db2.gz	HRKXMGWATWIQPO-VIFPVBQESA-N	0	0	191.274	3.003	10	0		AGAERN
CC(C)c1cccc2c1OC[C@H](C)N2	62521282	171197548	/nfs/dbraw/zinc/19/75/48/171197548.db2.gz	MPFDGBOTNJLSOU-VIFPVBQESA-N	0	0	191.274	3.003	10	0		AGAERN
CC(C)c1cccc2c1OCCCN2	62521298	171197647	/nfs/dbraw/zinc/19/76/47/171197647.db2.gz	ZPOXRKBGWGLGOO-UHFFFAOYSA-N	0	0	191.274	3.004	10	0		AGAERN
CC(C)c1cccc2c1OC[C@@H](C)N2	62521275	171197944	/nfs/dbraw/zinc/19/79/44/171197944.db2.gz	MPFDGBOTNJLSOU-SECBINFHSA-N	0	0	191.274	3.003	10	0		AGAERN
FC(F)=C1CCCCC1	96662704	171199261	/nfs/dbraw/zinc/19/92/61/171199261.db2.gz	DNQKXOZJEDKJRL-UHFFFAOYSA-N	0	0	132.153	3.101	10	0		AGAERN
CC(C)c1cnc(C2CC2)nc1Cl	96311260	171199339	/nfs/dbraw/zinc/19/93/39/171199339.db2.gz	QWEHNHFXFWVCME-UHFFFAOYSA-N	0	0	196.681	3.131	10	0		AGAERN
C[Si](C)(C)[C@@H]1C=CCC1	195756207	171199632	/nfs/dbraw/zinc/19/96/32/171199632.db2.gz	RNHNKPHOTZMXPP-MRVPVSSYSA-N	0	0	140.302	3.045	10	0		AGAERN
C[Si](C)(C)[C@H]1C=CCC1	195756205	171200003	/nfs/dbraw/zinc/20/00/03/171200003.db2.gz	RNHNKPHOTZMXPP-QMMMGPOBSA-N	0	0	140.302	3.045	10	0		AGAERN
CNc1ccc(Cc2ccccc2)cc1	5329158	171205147	/nfs/dbraw/zinc/20/51/47/171205147.db2.gz	MPIPCILYANKTEK-UHFFFAOYSA-N	0	0	197.281	3.319	10	0		AGAERN
CC(C)[C@H]1CCc2ccccc2N1C	149198864	344062962	/nfs/dbraw/zinc/06/29/62/344062962.db2.gz	HVBKNYYENUUQJC-GFCCVEGCSA-N	0	0	189.302	3.094	10	0		AGAERN
CC/C=C/[C@@H]1C=CCC=CC1	2010352	171213056	/nfs/dbraw/zinc/21/30/56/171213056.db2.gz	KIFXGGYCNMHCSX-AEBAWRHJSA-N	0	0	148.249	3.475	10	0		AGAERN
S=c1cc[nH]c2ccc(Cl)cc12	40175661	171217573	/nfs/dbraw/zinc/21/75/73/171217573.db2.gz	DYGGDEXJCOQFJO-UHFFFAOYSA-N	0	0	195.674	3.177	10	0		AGAERN
S=C1CNc2ccc(Cl)cc21	238663402	171219138	/nfs/dbraw/zinc/21/91/38/171219138.db2.gz	AZRCVZLLGNNYHN-UHFFFAOYSA-N	0	0	183.663	3.110	10	0		AGAERN
Cc1ccccc1[C@@H]1OCCCS1	2578714	171221217	/nfs/dbraw/zinc/22/12/17/171221217.db2.gz	QTQAZXXBPPZPIX-LLVKDONJSA-N	0	0	194.299	3.147	10	0		AGAERN
C[C@@H]1CC(C)(C)Oc2ccccc21	5735561	171221628	/nfs/dbraw/zinc/22/16/28/171221628.db2.gz	RZWKXCCZVCZJOU-SECBINFHSA-N	0	0	176.259	3.351	10	0		AGAERN
C[C@H]1CC(C)(C)Oc2ccccc21	5751842	171222066	/nfs/dbraw/zinc/22/20/66/171222066.db2.gz	RZWKXCCZVCZJOU-VIFPVBQESA-N	0	0	176.259	3.351	10	0		AGAERN
COc1ccccc1Nc1ccccc1	82714637	171222367	/nfs/dbraw/zinc/22/23/67/171222367.db2.gz	WENVDHCIJJBBGF-UHFFFAOYSA-N	0	0	199.253	3.439	10	0		AGAERN
CC(C)/C=C\CC(C)C	82152268	171222433	/nfs/dbraw/zinc/22/24/33/171222433.db2.gz	KDISTZUHDQPXDE-WAYWQWQTSA-N	0	0	126.243	3.245	10	0		AGAERN
CC(C)c1ccnc2ccccc12	13232548	171222510	/nfs/dbraw/zinc/22/25/10/171222510.db2.gz	HFYWOOUKPVJGBA-UHFFFAOYSA-N	0	0	171.243	3.358	10	0		AGAERN
Fc1cc(F)c2ccsc2c1	90557884	171223957	/nfs/dbraw/zinc/22/39/57/171223957.db2.gz	WWHGKSOALIQXHA-UHFFFAOYSA-N	0	0	170.183	3.180	10	0		AGAERN
Cc1ccc2[nH]c(C)pc2c1	90397454	171224220	/nfs/dbraw/zinc/22/42/20/171224220.db2.gz	XYYBWJHEDVSAIG-UHFFFAOYSA-N	0	0	163.160	3.365	10	0		AGAERN
c1c[nH]c(Sc2cccs2)c1	90755449	171224788	/nfs/dbraw/zinc/22/47/88/171224788.db2.gz	AHZKGOUJNXQCFI-UHFFFAOYSA-N	0	0	181.285	3.227	10	0		AGAERN
C[C@@H]1CCO[C@@H](c2ccccc2)C1	33637431	171225244	/nfs/dbraw/zinc/22/52/44/171225244.db2.gz	GDAVABNCFOTAOD-ZYHUDNBSSA-N	0	0	176.259	3.174	10	0		AGAERN
C[C@H]1CCO[C@H](c2ccccc2)C1	33637429	171225465	/nfs/dbraw/zinc/22/54/65/171225465.db2.gz	GDAVABNCFOTAOD-JQWIXIFHSA-N	0	0	176.259	3.174	10	0		AGAERN
C[C@@H]1CCO[C@H](c2ccccc2)C1	33637428	171225605	/nfs/dbraw/zinc/22/56/05/171225605.db2.gz	GDAVABNCFOTAOD-PWSUYJOCSA-N	0	0	176.259	3.174	10	0		AGAERN
C[C@H]1CCO[C@@H](c2ccccc2)C1	33637433	171225642	/nfs/dbraw/zinc/22/56/42/171225642.db2.gz	GDAVABNCFOTAOD-CMPLNLGQSA-N	0	0	176.259	3.174	10	0		AGAERN
CC/C=C/c1ccc(C)o1	34617598	171226263	/nfs/dbraw/zinc/22/62/63/171226263.db2.gz	QVVFSGWAESJAFV-SNAWJCMRSA-N	0	0	136.194	3.011	10	0		AGAERN
Cc1cc(C)c(C(F)(F)F)c(F)c1	149622913	344068751	/nfs/dbraw/zinc/06/87/51/344068751.db2.gz	QVZSMELLWMGXQK-UHFFFAOYSA-N	0	0	192.155	3.461	10	0		AGAERN
Cc1cc(Cl)cc(C)c1F	149604761	344068754	/nfs/dbraw/zinc/06/87/54/344068754.db2.gz	QMMZUEITBZKBKP-UHFFFAOYSA-N	0	0	158.603	3.096	10	0		AGAERN
Cc1ccc(-c2cccc(F)c2)o1	149928368	344073763	/nfs/dbraw/zinc/07/37/63/344073763.db2.gz	GMUZMEMJNWKWHT-UHFFFAOYSA-N	0	0	176.190	3.394	10	0		AGAERN
O[C@@H](c1cccc(C(F)F)c1)C1CC1	156132078	344081171	/nfs/dbraw/zinc/08/11/71/344081171.db2.gz	YOVKZKWEMRMXRO-SNVBAGLBSA-N	0	0	198.212	3.068	10	0		AGAERN
Cc1ccsc1-c1ccc(O)cc1	156644889	344093472	/nfs/dbraw/zinc/09/34/72/344093472.db2.gz	DQICBPNUMVEVIA-UHFFFAOYSA-N	0	0	190.267	3.429	10	0		AGAERN
Cc1cc(-c2ccccc2O)cs1	156641643	344093490	/nfs/dbraw/zinc/09/34/90/344093490.db2.gz	ALRWRHVLISGWAY-UHFFFAOYSA-N	0	0	190.267	3.429	10	0		AGAERN
Cc1ccc(O)c(-c2ccsc2)c1	156763748	344095246	/nfs/dbraw/zinc/09/52/46/344095246.db2.gz	JBZFBXHLVARFQI-UHFFFAOYSA-N	0	0	190.267	3.429	10	0		AGAERN
Oc1ccc(F)cc1-c1ccsc1	156764193	344095264	/nfs/dbraw/zinc/09/52/64/344095264.db2.gz	ATIDFVJAPUMBQP-UHFFFAOYSA-N	0	0	194.230	3.260	10	0		AGAERN
Cc1ccsc1-c1cccc(O)c1	156627785	344092882	/nfs/dbraw/zinc/09/28/82/344092882.db2.gz	AKJBYEFOZRLOTQ-UHFFFAOYSA-N	0	0	190.267	3.429	10	0		AGAERN
CC(C)Cc1nc(C2CC2)cs1	157121846	344100576	/nfs/dbraw/zinc/10/05/76/344100576.db2.gz	CSLIWOVDNWOUDN-UHFFFAOYSA-N	0	0	181.304	3.219	10	0		AGAERN
CC[C@@H]1CCC[C@H]1Nc1cccnc1	157153538	344101049	/nfs/dbraw/zinc/10/10/49/344101049.db2.gz	PCLORXWBBMJYEM-ZYHUDNBSSA-N	0	0	190.290	3.072	10	0		AGAERN
Cc1csc(Cc2cccs2)n1	157231340	344101562	/nfs/dbraw/zinc/10/15/62/344101562.db2.gz	XNSLLYALZXCHTL-UHFFFAOYSA-N	0	0	195.312	3.104	10	0		AGAERN
CC(C)C(=O)C1CCC(F)(F)CC1	158242286	344122766	/nfs/dbraw/zinc/12/27/66/344122766.db2.gz	VSXLVFPVURIXJD-UHFFFAOYSA-N	0	0	190.233	3.037	10	0		AGAERN
CC(C)=C[C@@](C)(O)C1CCCCC1	159332262	344142427	/nfs/dbraw/zinc/14/24/27/344142427.db2.gz	ZROWZZSHSVZVIT-GFCCVEGCSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)SCc1cc(N)cc(F)c1	159858516	344153630	/nfs/dbraw/zinc/15/36/30/344153630.db2.gz	QGYRPMDSKZFYAR-UHFFFAOYSA-N	0	0	199.294	3.050	10	0		AGAERN
Fc1c(Cl)ccc2ccoc12	160211491	344160252	/nfs/dbraw/zinc/16/02/52/344160252.db2.gz	KZERWBYBXMOLST-UHFFFAOYSA-N	0	0	170.570	3.225	10	0		AGAERN
Nc1cc(F)cc(SC2CCC2)c1	161192200	344186795	/nfs/dbraw/zinc/18/67/95/344186795.db2.gz	JAVUOWUSVNDTRF-UHFFFAOYSA-N	0	0	197.278	3.053	10	0		AGAERN
Nc1ccc(F)cc1SC1CCC1	161195068	344186802	/nfs/dbraw/zinc/18/68/02/344186802.db2.gz	DDILLRUERLMXNZ-UHFFFAOYSA-N	0	0	197.278	3.053	10	0		AGAERN
CC(C)[C@H]1CCCC[C@@]1(O)C1CCC1	161270617	344188161	/nfs/dbraw/zinc/18/81/61/344188161.db2.gz	FDWKCLXYQNUEQH-CHWSQXEVSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)[C@H]1CCCC[C@]1(O)C1CCC1	161270419	344188188	/nfs/dbraw/zinc/18/81/88/344188188.db2.gz	FDWKCLXYQNUEQH-OLZOCXBDSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@@H]1C[C@@H]1C(=O)CC1CCCCC1	161516459	344192450	/nfs/dbraw/zinc/19/24/50/344192450.db2.gz	MKAHFDDGXMMHPB-KOLCDFICSA-N	0	0	180.291	3.182	10	0		AGAERN
CC1(C)CCCC[C@@]1(O)C1CCC1	161253352	344187666	/nfs/dbraw/zinc/18/76/66/344187666.db2.gz	ZNACCQJDECBSFZ-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@@H]1CNc2cc(Cl)ccc2S1	161860892	344199475	/nfs/dbraw/zinc/19/94/75/344199475.db2.gz	NGXNXUGIFPKVAU-ZCFIWIBFSA-N	0	0	199.706	3.246	10	0		AGAERN
C[C@H]1CNc2cccc(Cl)c2S1	162426553	344208018	/nfs/dbraw/zinc/20/80/18/344208018.db2.gz	PDFXSZOSZSTUIR-LURJTMIESA-N	0	0	199.706	3.246	10	0		AGAERN
C[C@@H]1CNc2cccc(Cl)c2S1	162426426	344208034	/nfs/dbraw/zinc/20/80/34/344208034.db2.gz	PDFXSZOSZSTUIR-ZCFIWIBFSA-N	0	0	199.706	3.246	10	0		AGAERN
CCNc1ncc([C@H](C)CC)s1	162413790	344208089	/nfs/dbraw/zinc/20/80/89/344208089.db2.gz	DHLNUINRYUBTCQ-SSDOTTSWSA-N	0	0	184.308	3.088	10	0		AGAERN
C=Cc1cc(Cl)ccc1F	162634189	344211338	/nfs/dbraw/zinc/21/13/38/344211338.db2.gz	HQYRGPPYRLKGFA-UHFFFAOYSA-N	0	0	156.587	3.122	10	0		AGAERN
CC[C@@H]1CNc2ccc(C)cc2S1	162707150	344212315	/nfs/dbraw/zinc/21/23/15/344212315.db2.gz	KZZFYYDHZFHCJN-SECBINFHSA-N	0	0	193.315	3.291	10	0		AGAERN
CC[C@H]1CNc2ccc(F)cc2S1	162711429	344212731	/nfs/dbraw/zinc/21/27/31/344212731.db2.gz	UBFPHNNEOJBCOH-QMMMGPOBSA-N	0	0	197.278	3.122	10	0		AGAERN
Cc1ccc2c(c1)SC[C@H](C)CN2	162733258	344212737	/nfs/dbraw/zinc/21/27/37/344212737.db2.gz	AIZWMEJPTAQZLR-SECBINFHSA-N	0	0	193.315	3.149	10	0		AGAERN
CC[C@@H]1CNc2cc(C)ccc2S1	162716065	344212745	/nfs/dbraw/zinc/21/27/45/344212745.db2.gz	LHTHZDHPTGNQHP-SECBINFHSA-N	0	0	193.315	3.291	10	0		AGAERN
Cc1ccc2c(c1)SC[C@@H](C)CN2	162733386	344212748	/nfs/dbraw/zinc/21/27/48/344212748.db2.gz	AIZWMEJPTAQZLR-VIFPVBQESA-N	0	0	193.315	3.149	10	0		AGAERN
Cc1cccc2c1SC(C)(C)CN2	162728513	344212751	/nfs/dbraw/zinc/21/27/51/344212751.db2.gz	RCKWQMUCZFACPZ-UHFFFAOYSA-N	0	0	193.315	3.291	10	0		AGAERN
C[C@H]1CCNc2ccc(F)cc2S1	162747734	344213184	/nfs/dbraw/zinc/21/31/84/344213184.db2.gz	MMBADZUGWBBNFX-ZETCQYMHSA-N	0	0	197.278	3.122	10	0		AGAERN
Cc1ccc2c(c1)NCC[C@H](C)S2	162751630	344213732	/nfs/dbraw/zinc/21/37/32/344213732.db2.gz	XVDDRCMOCBPLFY-VIFPVBQESA-N	0	0	193.315	3.291	10	0		AGAERN
C[C@@H](Nc1ccc(F)cn1)C(C)(C)C	162842183	344214434	/nfs/dbraw/zinc/21/44/34/344214434.db2.gz	KNYOFIGJKKHZDO-MRVPVSSYSA-N	0	0	196.269	3.067	10	0		AGAERN
Cc1ccoc1C(=O)C1CCCCC1	163868044	344231855	/nfs/dbraw/zinc/23/18/55/344231855.db2.gz	SZGLTPAGLLYODI-UHFFFAOYSA-N	0	0	192.258	3.351	10	0		AGAERN
COC(C)(C)c1nc(C(C)C)cs1	164710805	344250603	/nfs/dbraw/zinc/25/06/03/344250603.db2.gz	VBXQTDPVCSZNOA-UHFFFAOYSA-N	0	0	199.319	3.148	10	0		AGAERN
CCc1csc([C@@H]2CCCS2)n1	164719912	344250635	/nfs/dbraw/zinc/25/06/35/344250635.db2.gz	XHGWXMHWHRPBAZ-QMMMGPOBSA-N	0	0	199.344	3.274	10	0		AGAERN
CCCc1csc([C@H]2C[C@@H]2C)n1	164730550	344251107	/nfs/dbraw/zinc/25/11/07/344251107.db2.gz	PRAJMJCFCDJKIZ-CBAPKCEASA-N	0	0	181.304	3.219	10	0		AGAERN
Cc1cnc(-c2ccsc2)s1	164736231	344251109	/nfs/dbraw/zinc/25/11/09/344251109.db2.gz	LEBSRYBLRBKVDB-UHFFFAOYSA-N	0	0	181.285	3.180	10	0		AGAERN
Cc1cnc(Cc2cccs2)s1	164746874	344251568	/nfs/dbraw/zinc/25/15/68/344251568.db2.gz	BIERPDAVZQMITC-UHFFFAOYSA-N	0	0	195.312	3.104	10	0		AGAERN
Cc1cnc(-c2cscc2C)s1	164740795	344251574	/nfs/dbraw/zinc/25/15/74/344251574.db2.gz	YZTPMPAPXONBDZ-UHFFFAOYSA-N	0	0	195.312	3.488	10	0		AGAERN
CCCC(CCC)C(=O)OC(C)C	165457950	344264650	/nfs/dbraw/zinc/26/46/50/344264650.db2.gz	HRXNGKUCYZHOGZ-UHFFFAOYSA-N	0	0	186.295	3.154	10	0		AGAERN
CC(C)Cc1ccc(N)c(Cl)c1	165587905	344266653	/nfs/dbraw/zinc/26/66/53/344266653.db2.gz	YCIILIOGLHRHJJ-UHFFFAOYSA-N	0	0	183.682	3.121	10	0		AGAERN
CCC(CC)OC1=CC=CCC1	165877062	344271693	/nfs/dbraw/zinc/27/16/93/344271693.db2.gz	QDTHJBNIPNWALL-UHFFFAOYSA-N	0	0	166.264	3.426	10	0		AGAERN
CC(C)[C@@H]1CNc2ccccc2S1	166166768	344276021	/nfs/dbraw/zinc/27/60/21/344276021.db2.gz	IYGJSSCXTNCQHV-NSHDSACASA-N	0	0	193.315	3.229	10	0		AGAERN
Cc1ccc([C@](C)(O)C2CCC2)s1	166184452	344276034	/nfs/dbraw/zinc/27/60/34/344276034.db2.gz	CTJMORBTTJTJDR-LLVKDONJSA-N	0	0	196.315	3.064	10	0		AGAERN
Cc1ccc([C@@](C)(O)C2CCC2)s1	166184569	344276040	/nfs/dbraw/zinc/27/60/40/344276040.db2.gz	CTJMORBTTJTJDR-NSHDSACASA-N	0	0	196.315	3.064	10	0		AGAERN
C[C@@]1(CC2CCCC2)CCC(=O)C1	166857107	344291349	/nfs/dbraw/zinc/29/13/49/344291349.db2.gz	KRZUKEVUFKXZHB-LBPRGKRZSA-N	0	0	180.291	3.326	10	0		AGAERN
CCC[C@@H](C)C(=O)c1ccccc1F	167935281	344317237	/nfs/dbraw/zinc/31/72/37/344317237.db2.gz	FGJSCKGAIWUXGM-SECBINFHSA-N	0	0	194.249	3.445	10	0		AGAERN
CC1(C)C(C(=O)c2ccoc2)C1(C)C	168180221	344323454	/nfs/dbraw/zinc/32/34/54/344323454.db2.gz	VPTLMHGPBNDNJJ-UHFFFAOYSA-N	0	0	192.258	3.145	10	0		AGAERN
CCc1cccc([C@H]2CCCC2=O)c1	168268440	344327104	/nfs/dbraw/zinc/32/71/04/344327104.db2.gz	JIGGRZWULZSZCU-GFCCVEGCSA-N	0	0	188.270	3.086	10	0		AGAERN
CCc1cccc(C2(O)CCCC2)c1	167895684	344316539	/nfs/dbraw/zinc/31/65/39/344316539.db2.gz	URRKBUQYMGKZLD-UHFFFAOYSA-N	0	0	190.286	3.011	10	0		AGAERN
CCc1cccc([C@H](O)C(C)(C)C)c1	167934011	344317100	/nfs/dbraw/zinc/31/71/00/344317100.db2.gz	IXBAHPJVFSYNRJ-LBPRGKRZSA-N	0	0	192.302	3.329	10	0		AGAERN
CC(C)[C@H](C)C(=O)c1ccccc1F	167935161	344317153	/nfs/dbraw/zinc/31/71/53/344317153.db2.gz	XIKWUHYJUAYFGQ-VIFPVBQESA-N	0	0	194.249	3.301	10	0		AGAERN
Cc1ccc([C@@H]2C=CCCC2)o1	204002421	344368853	/nfs/dbraw/zinc/36/88/53/344368853.db2.gz	DMVPOZOQHADMGT-SNVBAGLBSA-N	0	0	162.232	3.412	10	0		AGAERN
C/C(=C\c1ccccc1)C1CC1	205289557	344371116	/nfs/dbraw/zinc/37/11/16/344371116.db2.gz	PIRNNZRKLZANHJ-MDZDMXLPSA-N	0	0	158.244	3.500	10	0		AGAERN
Cc1ccc2cc(C)cc-2cc1	202576402	344367205	/nfs/dbraw/zinc/36/72/05/344367205.db2.gz	JSEKRQGOYPFGKE-UHFFFAOYSA-N	0	0	156.228	3.408	10	0		AGAERN
O=Cc1ccc(C(F)=C(F)F)cc1	207119400	344376146	/nfs/dbraw/zinc/37/61/46/344376146.db2.gz	MQBDAFPPFVSLQD-UHFFFAOYSA-N	0	0	186.132	3.034	10	0		AGAERN
CO/C=C(\c1ccccc1)C1CCC1	207236663	344376180	/nfs/dbraw/zinc/37/61/80/344376180.db2.gz	PBFWXPYPCZCFRA-JLHYYAGUSA-N	0	0	188.270	3.474	10	0		AGAERN
CCCC/C=C/C=C/CCCO	209012257	344376720	/nfs/dbraw/zinc/37/67/20/344376720.db2.gz	YFKOGZCPDXKVHD-BSWSSELBSA-N	0	0	168.280	3.062	10	0		AGAERN
CC1=CCC[C@@]2(C)CCC(=O)C[C@@H]12	218010427	344408950	/nfs/dbraw/zinc/40/89/50/344408950.db2.gz	ATQYMLVXJVFWDZ-RYUDHWBXSA-N	0	0	178.275	3.102	10	0		AGAERN
CC[C@@H](CC(C)=O)c1ccc(C)cc1	218731460	344415185	/nfs/dbraw/zinc/41/51/85/344415185.db2.gz	KGTSQRPUCPRLBS-LBPRGKRZSA-N	0	0	190.286	3.468	10	0		AGAERN
CC[C@H]1Cc2c(N)cccc2C1(C)C	220173715	344430926	/nfs/dbraw/zinc/43/09/26/344430926.db2.gz	DYCXGNLXDIJHHV-VIFPVBQESA-N	0	0	189.302	3.129	10	0		AGAERN
CC(C)n1ccc2ccc(F)cc21	220753563	344434882	/nfs/dbraw/zinc/43/48/82/344434882.db2.gz	GAPBSMLGKVHLQH-UHFFFAOYSA-N	0	0	177.222	3.361	10	0		AGAERN
CCC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	221148410	344438496	/nfs/dbraw/zinc/43/84/96/344438496.db2.gz	HEUNEZRCTUKWSB-KXUCPTDWSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1	221148545	344438719	/nfs/dbraw/zinc/43/87/19/344438719.db2.gz	HEUNEZRCTUKWSB-LPEHRKFASA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1c(N)cccc1-c1ccsc1	222751737	344454516	/nfs/dbraw/zinc/45/45/16/344454516.db2.gz	JDAIJQNJCAQWHV-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
C[C@H]1CCC[C@@H]1C(=O)c1cccs1	226525878	344505662	/nfs/dbraw/zinc/50/56/62/344505662.db2.gz	CKNWGFIMSJCQJG-IUCAKERBSA-N	0	0	194.299	3.367	10	0		AGAERN
C[C@H]1CCC[C@H]1C(=O)c1cccs1	226525891	344505668	/nfs/dbraw/zinc/50/56/68/344505668.db2.gz	CKNWGFIMSJCQJG-DTWKUNHWSA-N	0	0	194.299	3.367	10	0		AGAERN
CC(C)OC(=O)[C@@H]1CCCCC1(C)C	226623336	344509234	/nfs/dbraw/zinc/50/92/34/344509234.db2.gz	ZPEOAPPVODYBIX-JTQLQIEISA-N	0	0	198.306	3.154	10	0		AGAERN
C[C@@H]1CCC[C@H]1C(=O)c1cccs1	226525885	344505678	/nfs/dbraw/zinc/50/56/78/344505678.db2.gz	CKNWGFIMSJCQJG-RKDXNWHRSA-N	0	0	194.299	3.367	10	0		AGAERN
C[C@@H]1CCC[C@@H]1C(=O)c1cccs1	226525872	344505683	/nfs/dbraw/zinc/50/56/83/344505683.db2.gz	CKNWGFIMSJCQJG-BDAKNGLRSA-N	0	0	194.299	3.367	10	0		AGAERN
C[C@@H]1CCC[C@H]1C(=O)C(C)(C)C	226785425	344513563	/nfs/dbraw/zinc/51/35/63/344513563.db2.gz	ZWWWMXRGOFDRCD-RKDXNWHRSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@H]1CCC[C@H]1C(=O)CC1CCC1	226786848	344514123	/nfs/dbraw/zinc/51/41/23/344514123.db2.gz	KHFCCONNNCSXRU-GXSJLCMTSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@@H]1C(=O)[C@H](C)[C@H]1c1cccs1	227344519	344529367	/nfs/dbraw/zinc/52/93/67/344529367.db2.gz	NADZTHXKHDOPIN-KHQFGBGNSA-N	0	0	194.299	3.077	10	0		AGAERN
C/C=C/CNc1c(C)cccc1C	227557116	344534952	/nfs/dbraw/zinc/53/49/52/344534952.db2.gz	GWISHCKXDHJQEQ-SNAWJCMRSA-N	0	0	175.275	3.291	10	0		AGAERN
CC[C@](O)(c1ccsc1C)C(C)C	227746026	344546013	/nfs/dbraw/zinc/54/60/13/344546013.db2.gz	LGQOOSKEIMCMAW-LLVKDONJSA-N	0	0	198.331	3.310	10	0		AGAERN
Cc1sccc1[C@H]1CCCC(=O)C1	227854221	344548880	/nfs/dbraw/zinc/54/88/80/344548880.db2.gz	VBKFZAXSHLMEJO-VIFPVBQESA-N	0	0	194.299	3.283	10	0		AGAERN
CNc1cc(SC(C)(C)C)ccn1	227673296	344543852	/nfs/dbraw/zinc/54/38/52/344543852.db2.gz	ZIBHKNIFPUSSFN-UHFFFAOYSA-N	0	0	196.319	3.014	10	0		AGAERN
Cc1cccc2nc(C(C)C)c(C)n12	228013141	344555549	/nfs/dbraw/zinc/55/55/49/344555549.db2.gz	ZFZAYZKRBFMLLE-UHFFFAOYSA-N	0	0	188.274	3.075	10	0		AGAERN
Cc1cccc(N[C@H](C)C(F)F)c1	228477223	344562468	/nfs/dbraw/zinc/56/24/68/344562468.db2.gz	QFIKISAMOINMDL-MRVPVSSYSA-N	0	0	185.217	3.061	10	0		AGAERN
Cc1cccc(N[C@@H](C)C(F)F)c1C	228481693	344562485	/nfs/dbraw/zinc/56/24/85/344562485.db2.gz	LEPWRNLFBAAFGR-VIFPVBQESA-N	0	0	199.244	3.369	10	0		AGAERN
Cc1cccc(N[C@@H](C)C(F)F)c1	228477214	344562510	/nfs/dbraw/zinc/56/25/10/344562510.db2.gz	QFIKISAMOINMDL-QMMMGPOBSA-N	0	0	185.217	3.061	10	0		AGAERN
Cc1ccccc1N[C@@H](C)C(F)F	228481868	344562512	/nfs/dbraw/zinc/56/25/12/344562512.db2.gz	HVMOFPLDROUBSY-QMMMGPOBSA-N	0	0	185.217	3.061	10	0		AGAERN
Cc1cc([C@H](O)CC2CCC2)c(C)o1	228686308	344565967	/nfs/dbraw/zinc/56/59/67/344565967.db2.gz	IWHSETCEPDJXIU-GFCCVEGCSA-N	0	0	194.274	3.120	10	0		AGAERN
Cc1oc(C)c([C@H](O)C(C)(C)C)c1C	229474937	344597427	/nfs/dbraw/zinc/59/74/27/344597427.db2.gz	FYCPJXCCHNGKRP-NSHDSACASA-N	0	0	196.290	3.284	10	0		AGAERN
Cc1oc(C)c([C@@H](O)C(C)(C)C)c1C	229474926	344597490	/nfs/dbraw/zinc/59/74/90/344597490.db2.gz	FYCPJXCCHNGKRP-LLVKDONJSA-N	0	0	196.290	3.284	10	0		AGAERN
Nc1cc(F)cc(-c2cccs2)c1	229565232	344604954	/nfs/dbraw/zinc/60/49/54/344604954.db2.gz	CQTVMZMEJXKBOO-UHFFFAOYSA-N	0	0	193.246	3.136	10	0		AGAERN
CCC[C@H](C)[C@H]1CCC(=O)[C@@H]1C	229620500	344607750	/nfs/dbraw/zinc/60/77/50/344607750.db2.gz	AXHNWRMMUDJRLA-IVZWLZJFSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC[C@H](C)[C@@H]1CCC(=O)[C@@H]1C	229620482	344607761	/nfs/dbraw/zinc/60/77/61/344607761.db2.gz	AXHNWRMMUDJRLA-AEJSXWLSSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@H]1CCC[C@]1(O)c1ccsc1	229699520	344612289	/nfs/dbraw/zinc/61/22/89/344612289.db2.gz	TUMHEFLCQFEPJA-GXSJLCMTSA-N	0	0	196.315	3.146	10	0		AGAERN
CC[C@H]1CCC[C@@]1(O)c1ccsc1	229699506	344612339	/nfs/dbraw/zinc/61/23/39/344612339.db2.gz	TUMHEFLCQFEPJA-ONGXEEELSA-N	0	0	196.315	3.146	10	0		AGAERN
CC[C@@H]1CCC[C@@]1(O)c1ccsc1	229699499	344612358	/nfs/dbraw/zinc/61/23/58/344612358.db2.gz	TUMHEFLCQFEPJA-KOLCDFICSA-N	0	0	196.315	3.146	10	0		AGAERN
CC[C@@H]1CCC[C@]1(O)c1ccsc1	229699513	344612359	/nfs/dbraw/zinc/61/23/59/344612359.db2.gz	TUMHEFLCQFEPJA-MWLCHTKSSA-N	0	0	196.315	3.146	10	0		AGAERN
O[C@@H]1C=C(C2CCCC2)CCCC1	230170647	344628037	/nfs/dbraw/zinc/62/80/37/344628037.db2.gz	WIRHDQDEPZFZQT-LBPRGKRZSA-N	0	0	180.291	3.038	10	0		AGAERN
O[C@@H]1C=C(c2cccs2)CCCC1	230173174	344628060	/nfs/dbraw/zinc/62/80/60/344628060.db2.gz	BHUWGYFXZDVTTI-JTQLQIEISA-N	0	0	194.299	3.066	10	0		AGAERN
O[C@H]1C=C(c2cccs2)CCCC1	230173177	344628100	/nfs/dbraw/zinc/62/81/00/344628100.db2.gz	BHUWGYFXZDVTTI-SNVBAGLBSA-N	0	0	194.299	3.066	10	0		AGAERN
Cc1cccc2c(C3CC3)c[nH]c12	230278949	344630295	/nfs/dbraw/zinc/63/02/95/344630295.db2.gz	JEAHMHIMJLONFT-UHFFFAOYSA-N	0	0	171.243	3.354	10	0		AGAERN
COc1ccc2[nH]cc(C3CC3)c2c1	230278959	344630349	/nfs/dbraw/zinc/63/03/49/344630349.db2.gz	GQDXBHLXWXPFOG-UHFFFAOYSA-N	0	0	187.242	3.054	10	0		AGAERN
O[C@H]1C=C(C2CCCC2)CCCC1	230170654	344628181	/nfs/dbraw/zinc/62/81/81/344628181.db2.gz	WIRHDQDEPZFZQT-GFCCVEGCSA-N	0	0	180.291	3.038	10	0		AGAERN
CCC[C@H](C)Oc1cccc(Cl)n1	230441641	344636501	/nfs/dbraw/zinc/63/65/01/344636501.db2.gz	QXUVBNRVILUFFP-QMMMGPOBSA-N	0	0	199.681	3.302	10	0		AGAERN
CCC[C@]1(O)CCC[C@@H](C(C)C)C1	231010332	344647181	/nfs/dbraw/zinc/64/71/81/344647181.db2.gz	MRZYTQUGZAKGAY-NEPJUHHUSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@]1(O)CCC[C@H](C(C)C)C1	231010338	344647196	/nfs/dbraw/zinc/64/71/96/344647196.db2.gz	MRZYTQUGZAKGAY-RYUDHWBXSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@@]1(O)CCC[C@@H](C(C)C)C1	231010330	344647324	/nfs/dbraw/zinc/64/73/24/344647324.db2.gz	MRZYTQUGZAKGAY-VXGBXAGGSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)[C@H](O)[C@@H]1CCC[C@@H](C(C)C)C1	231019946	344647811	/nfs/dbraw/zinc/64/78/11/344647811.db2.gz	RWCGYUCKPJIVBD-UPJWGTAASA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)[C@@H]1CCC[C@@H]([C@H](O)C(C)C)C1	231019944	344647812	/nfs/dbraw/zinc/64/78/12/344647812.db2.gz	RWCGYUCKPJIVBD-JHJVBQTASA-N	0	0	198.350	3.466	10	0		AGAERN
CCC(=O)[C@H]1CCC[C@@H](C(C)C)C1	231019641	344647847	/nfs/dbraw/zinc/64/78/47/344647847.db2.gz	UEKPNYZIXFJPDC-MNOVXSKESA-N	0	0	182.307	3.428	10	0		AGAERN
C/C(=C/Cl)CNc1ccsc1	232000290	344669304	/nfs/dbraw/zinc/66/93/04/344669304.db2.gz	MKJMMFNIMQOZND-DAXSKMNVSA-N	0	0	187.695	3.303	10	0		AGAERN
CC(C)Cc1ccc(N)cc1Cl	232181815	344672837	/nfs/dbraw/zinc/67/28/37/344672837.db2.gz	AYWGHZJHQXUEKK-UHFFFAOYSA-N	0	0	183.682	3.121	10	0		AGAERN
Cc1ccc(Cl)c(NC2CC2)c1	232230328	344673314	/nfs/dbraw/zinc/67/33/14/344673314.db2.gz	ZBWCBDLMHZTPSH-UHFFFAOYSA-N	0	0	181.666	3.223	10	0		AGAERN
Cc1ccc(Cl)c(NCCF)c1	232243757	344673321	/nfs/dbraw/zinc/67/33/21/344673321.db2.gz	AFFKVKGFYQFCKJ-UHFFFAOYSA-N	0	0	187.645	3.030	10	0		AGAERN
C/C(=C/Cl)CNc1ccccc1F	231997539	344669319	/nfs/dbraw/zinc/66/93/19/344669319.db2.gz	KURWVAIQKDSEMQ-VURMDHGXSA-N	0	0	199.656	3.380	10	0		AGAERN
c1cc2cc(NC3CC3)ccc2s1	232467683	344678757	/nfs/dbraw/zinc/67/87/57/344678757.db2.gz	XCUBDXLVSGJQSW-UHFFFAOYSA-N	0	0	189.283	3.476	10	0		AGAERN
C/C=C/CNc1ccc(Cl)c(F)c1	232470607	344679440	/nfs/dbraw/zinc/67/94/40/344679440.db2.gz	UOVCKPMVGMLLKL-NSCUHMNNSA-N	0	0	199.656	3.467	10	0		AGAERN
C/C=C/CNc1c(C)cccc1F	232469544	344679482	/nfs/dbraw/zinc/67/94/82/344679482.db2.gz	GLKWNGKOUWGOFD-ONEGZZNKSA-N	0	0	179.238	3.122	10	0		AGAERN
CC(C)C(=O)[C@@H]1CC(C)(C)C[C@H]1C	232554908	344681963	/nfs/dbraw/zinc/68/19/63/344681963.db2.gz	QLAXVDRKHIDQLZ-NXEZZACHSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)C(=O)[C@@H]1CC(C)(C)C[C@@H]1C	232554892	344681982	/nfs/dbraw/zinc/68/19/82/344681982.db2.gz	QLAXVDRKHIDQLZ-VHSXEESVSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)C(=O)[C@H]1CC(C)(C)C[C@H]1C	232556612	344682464	/nfs/dbraw/zinc/68/24/64/344682464.db2.gz	QLAXVDRKHIDQLZ-ZJUUUORDSA-N	0	0	182.307	3.284	10	0		AGAERN
Cc1cc(C)c(C(=O)C(C)C)c(F)c1	232557278	344682784	/nfs/dbraw/zinc/68/27/84/344682784.db2.gz	FNJZWGVHJZXFHV-UHFFFAOYSA-N	0	0	194.249	3.281	10	0		AGAERN
CC(C)(C)C(=O)c1ccc(Cl)o1	232564603	344683383	/nfs/dbraw/zinc/68/33/83/344683383.db2.gz	DFOOEVKNUOFBOI-UHFFFAOYSA-N	0	0	186.638	3.162	10	0		AGAERN
c1cc2c(c(C3CCC3)c1)NCCC2	232580986	344684430	/nfs/dbraw/zinc/68/44/30/344684430.db2.gz	UYMJPFSKHWIXHT-UHFFFAOYSA-N	0	0	187.286	3.312	10	0		AGAERN
CC(C)C[C@@]1(O)CC(C)(C)C[C@@H]1C	232634083	344686586	/nfs/dbraw/zinc/68/65/86/344686586.db2.gz	ZTZHLIDABFSLMU-CMPLNLGQSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@H](C)Sc1ccnc(F)c1	232769550	344689684	/nfs/dbraw/zinc/68/96/84/344689684.db2.gz	VFCFEVJLDWWDOI-QMMMGPOBSA-N	0	0	199.294	3.357	10	0		AGAERN
CC(C)[C@H](C)Sc1ccc(N)cc1	232761805	344689690	/nfs/dbraw/zinc/68/96/90/344689690.db2.gz	FQVCPXGURBJMGI-VIFPVBQESA-N	0	0	195.331	3.405	10	0		AGAERN
CC1([C@@H](O)CC2CC2)CCCCC1	232841476	344694654	/nfs/dbraw/zinc/69/46/54/344694654.db2.gz	XQYFPJFVXBWZKL-NSHDSACASA-N	0	0	182.307	3.118	10	0		AGAERN
CC1(C)C[C@H]1C(=O)C1CCCCC1	232898495	344696502	/nfs/dbraw/zinc/69/65/02/344696502.db2.gz	MZWJSDMNSPQPFX-JTQLQIEISA-N	0	0	180.291	3.182	10	0		AGAERN
CCC(C)(C)CNc1ccccc1N	233032447	344699438	/nfs/dbraw/zinc/69/94/38/344699438.db2.gz	JVTYEDWZFZOAKD-UHFFFAOYSA-N	0	0	192.306	3.117	10	0		AGAERN
CCC[C@@](C)(O)C1=CCCCCC1	233314410	344700835	/nfs/dbraw/zinc/70/08/35/344700835.db2.gz	UAPAKZXJEVNKNB-GFCCVEGCSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC[C@@]1(C)CNc2c(C)cccc21	233318576	344700837	/nfs/dbraw/zinc/70/08/37/344700837.db2.gz	NYQZPOHNCPESAZ-ZDUSSCGKSA-N	0	0	189.302	3.478	10	0		AGAERN
CCC[C@H](C)[C@@]1(O)CCC(C)(C)C1	233343411	344701323	/nfs/dbraw/zinc/70/13/23/344701323.db2.gz	DKBLQSGYAJLSRX-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@]1(C)CNc2ccc(C)cc21	233374044	344701676	/nfs/dbraw/zinc/70/16/76/344701676.db2.gz	FIESSAKPNOPUEW-CYBMUJFWSA-N	0	0	189.302	3.478	10	0		AGAERN
CC[C@@](C)(O)C1=CCCCCCC1	233961854	344709022	/nfs/dbraw/zinc/70/90/22/344709022.db2.gz	GVXNFFAVAMXVJD-GFCCVEGCSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H](O)C1=CCCCCCC1	234061022	344711066	/nfs/dbraw/zinc/71/10/66/344711066.db2.gz	LJOWWDYBTWTYFL-NSHDSACASA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@@H]1CC(C)(C)C2SC(=S)N=C21	235357169	344745556	/nfs/dbraw/zinc/74/55/56/344745556.db2.gz	XGMDJTDQSCWBBA-RXMQYKEDSA-N	0	0	199.344	3.217	10	0		AGAERN
C[C@@H]1SCC[C@H]1Nc1ccsc1	235384366	344747420	/nfs/dbraw/zinc/74/74/20/344747420.db2.gz	BGXXIAKTJFGNAT-IONNQARKSA-N	0	0	199.344	3.054	10	0		AGAERN
Cc1cc(Cl)cc2c1C[C@@H](C)C2=O	235391603	344747422	/nfs/dbraw/zinc/74/74/22/344747422.db2.gz	QADPVTCPLNDUKZ-SSDOTTSWSA-N	0	0	194.661	3.023	10	0		AGAERN
C[C@H]1SCC[C@@H]1Nc1ccsc1	235615801	344759738	/nfs/dbraw/zinc/75/97/38/344759738.db2.gz	BGXXIAKTJFGNAT-APPZFPTMSA-N	0	0	199.344	3.054	10	0		AGAERN
Cc1cccc2c1NCC[C@H](C)S2	235616320	344759849	/nfs/dbraw/zinc/75/98/49/344759849.db2.gz	LOGRYIQJTLEANW-VIFPVBQESA-N	0	0	193.315	3.291	10	0		AGAERN
C[C@H]1CC(C)(C)C2SC(=S)N=C21	235629389	344760519	/nfs/dbraw/zinc/76/05/19/344760519.db2.gz	XGMDJTDQSCWBBA-YFKPBYRVSA-N	0	0	199.344	3.217	10	0		AGAERN
C[C@H]1SCC[C@H]1Nc1ccsc1	235660924	344762470	/nfs/dbraw/zinc/76/24/70/344762470.db2.gz	BGXXIAKTJFGNAT-VXNVDRBHSA-N	0	0	199.344	3.054	10	0		AGAERN
Cc1ccc(F)c(NC/C=C/Cl)c1	235759872	344765659	/nfs/dbraw/zinc/76/56/59/344765659.db2.gz	DRRXFDLXQDPKID-GORDUTHDSA-N	0	0	199.656	3.299	10	0		AGAERN
Cc1ccc(NCC(C)(C)C)cc1O	235758603	344765685	/nfs/dbraw/zinc/76/56/85/344765685.db2.gz	FGDZUKCGTVXTMY-UHFFFAOYSA-N	0	0	193.290	3.159	10	0		AGAERN
Cc1cc(Cl)ccc1[C@H](O)C1CC1	235765672	344766089	/nfs/dbraw/zinc/76/60/89/344766089.db2.gz	OOELQRXLDDLLRY-LLVKDONJSA-N	0	0	196.677	3.092	10	0		AGAERN
Cc1ccsc1C(=O)[C@H]1CC1(C)C	235792568	344766741	/nfs/dbraw/zinc/76/67/41/344766741.db2.gz	KMKYLHRWFHHDQP-MRVPVSSYSA-N	0	0	194.299	3.285	10	0		AGAERN
Cc1cccc(Cl)c1NC1CC1	235792029	344766792	/nfs/dbraw/zinc/76/67/92/344766792.db2.gz	OIYSORNVRUCMAN-UHFFFAOYSA-N	0	0	181.666	3.223	10	0		AGAERN
Cc1ccccc1C(=O)[C@@H]1CC1(C)C	235788592	344766830	/nfs/dbraw/zinc/76/68/30/344766830.db2.gz	PAGLBDPTKHOLRW-NSHDSACASA-N	0	0	188.270	3.224	10	0		AGAERN
Cc1ccsc1C(=O)[C@@H]1CC1(C)C	235791971	344766842	/nfs/dbraw/zinc/76/68/42/344766842.db2.gz	KMKYLHRWFHHDQP-QMMMGPOBSA-N	0	0	194.299	3.285	10	0		AGAERN
Cc1ccsc1[C@@H](O)[C@@H]1CC1(C)C	235796021	344766848	/nfs/dbraw/zinc/76/68/48/344766848.db2.gz	MSKXOSKVVLYSIE-IUCAKERBSA-N	0	0	196.315	3.136	10	0		AGAERN
Cc1cc2c(cc1F)NCCCS2	235843519	344768891	/nfs/dbraw/zinc/76/88/91/344768891.db2.gz	HFJOUHXAUNOCPQ-UHFFFAOYSA-N	0	0	197.278	3.042	10	0		AGAERN
Cc1ccc(C(=O)[C@H]2CC2(C)C)cc1	235843284	344768948	/nfs/dbraw/zinc/76/89/48/344768948.db2.gz	IKWINIBLEZZEQO-LLVKDONJSA-N	0	0	188.270	3.224	10	0		AGAERN
Cc1cc(-c2ccoc2C=O)cs1	235867845	344769306	/nfs/dbraw/zinc/76/93/06/344769306.db2.gz	RZKMOPAIFWNEEE-UHFFFAOYSA-N	0	0	192.239	3.129	10	0		AGAERN
Cc1cc(NC2CCC2)cnc1Cl	235853625	344769311	/nfs/dbraw/zinc/76/93/11/344769311.db2.gz	RLOTUPBMJXTUTH-UHFFFAOYSA-N	0	0	196.681	3.008	10	0		AGAERN
Cc1ccc([C@H](O)[C@@H]2CC2(C)C)s1	235920480	344769651	/nfs/dbraw/zinc/76/96/51/344769651.db2.gz	RYSMZDRNYSGNOX-WCBMZHEXSA-N	0	0	196.315	3.136	10	0		AGAERN
Cc1ccc([C@H](O)[C@H]2CC2(C)C)cc1	235922416	344769692	/nfs/dbraw/zinc/76/96/92/344769692.db2.gz	CSYQVAOIRUUXFZ-NEPJUHHUSA-N	0	0	190.286	3.075	10	0		AGAERN
Cc1ccc([C@@H](O)[C@@H]2CC2(C)C)s1	235916263	344769701	/nfs/dbraw/zinc/76/97/01/344769701.db2.gz	RYSMZDRNYSGNOX-WPRPVWTQSA-N	0	0	196.315	3.136	10	0		AGAERN
O=C(c1ccoc1Cl)C1CCCC1	236035573	344771839	/nfs/dbraw/zinc/77/18/39/344771839.db2.gz	IFURBTVXCLFLOJ-UHFFFAOYSA-N	0	0	198.649	3.306	10	0		AGAERN
CC1(C)[C@H]2CC[C@@H]1[C@H]1CCC[C@@H]12	104374117	190613055	/nfs/dbraw/zinc/61/30/55/190613055.db2.gz	BENGNUHXFJSANJ-XWLWVQCSSA-N	0	0	164.292	3.469	10	0		AGAERN
Cc1ccccc1Oc1ccccn1	145715913	190613485	/nfs/dbraw/zinc/61/34/85/190613485.db2.gz	JSESVCSCPLOCRY-UHFFFAOYSA-N	0	0	185.226	3.182	10	0		AGAERN
Fc1cc(NC2CC2)ccc1Cl	236212552	344777739	/nfs/dbraw/zinc/77/77/39/344777739.db2.gz	WITYYWNZVPBGNA-UHFFFAOYSA-N	0	0	185.629	3.053	10	0		AGAERN
Fc1ccc2cnc(Cl)cc2c1F	236223348	344777868	/nfs/dbraw/zinc/77/78/68/344777868.db2.gz	KHOBINMNFXBICW-UHFFFAOYSA-N	0	0	199.587	3.166	10	0		AGAERN
CC(C)c1cc(C2CC2)nc(Cl)n1	238195968	344795237	/nfs/dbraw/zinc/79/52/37/344795237.db2.gz	SAXKVMFIQFXPAZ-UHFFFAOYSA-N	0	0	196.681	3.131	10	0		AGAERN
CCc1ccccc1[C@H]1CCCC1=O	238315821	344800304	/nfs/dbraw/zinc/80/03/04/344800304.db2.gz	HTUGITUIDXYPJT-GFCCVEGCSA-N	0	0	188.270	3.086	10	0		AGAERN
COc1ccc(C)c(NCC(C)C)c1	238362843	344803161	/nfs/dbraw/zinc/80/31/61/344803161.db2.gz	XCZQKBZZZNPVRL-UHFFFAOYSA-N	0	0	193.290	3.072	10	0		AGAERN
CSCc1cccc(SC)c1	238378423	344803882	/nfs/dbraw/zinc/80/38/82/344803882.db2.gz	OKNPPWNHHLBGAK-UHFFFAOYSA-N	0	0	184.329	3.272	10	0		AGAERN
C[C@H](Nc1ccccc1)[Si](C)(C)C	238466189	344807937	/nfs/dbraw/zinc/80/79/37/344807937.db2.gz	ZZZHQBNPLVMCCH-SNVBAGLBSA-N	0	0	193.366	3.364	10	0		AGAERN
Cc1cc(Cl)c(Cl)c(C)n1	238497330	344809713	/nfs/dbraw/zinc/80/97/13/344809713.db2.gz	CAXPRQAUTYFIEV-UHFFFAOYSA-N	0	0	176.046	3.005	10	0		AGAERN
Cc1ccc(NC[Si](C)(C)C)cc1	238521449	344810602	/nfs/dbraw/zinc/81/06/02/344810602.db2.gz	HXWRFLMWLCMMQM-UHFFFAOYSA-N	0	0	193.366	3.284	10	0		AGAERN
Nc1cccc2cc(C(F)F)ccc12	238634821	344816697	/nfs/dbraw/zinc/81/66/97/344816697.db2.gz	KAAIJWYAMBSRLW-UHFFFAOYSA-N	0	0	193.196	3.360	10	0		AGAERN
Nc1ccc(C2=CCCC2)cc1Cl	238636794	344816715	/nfs/dbraw/zinc/81/67/15/344816715.db2.gz	RHPHBTOARZZPBI-UHFFFAOYSA-N	0	0	193.677	3.490	10	0		AGAERN
Nc1cccc2ccc(C(F)F)cc12	238635208	344816723	/nfs/dbraw/zinc/81/67/23/344816723.db2.gz	RIGYPOGEKMNJTD-UHFFFAOYSA-N	0	0	193.196	3.360	10	0		AGAERN
Oc1cc(C(F)F)cc2ccccc12	238673412	344818101	/nfs/dbraw/zinc/81/81/01/344818101.db2.gz	OJYNTRSXWPUJQM-UHFFFAOYSA-N	0	0	194.180	3.483	10	0		AGAERN
CC[C@]1(C)C(=O)[C@@H]2CCCCC[C@H]21	251290660	344851492	/nfs/dbraw/zinc/85/14/92/344851492.db2.gz	RLVTUBMLAPTPKJ-FOGDFJRCSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O	251728886	344869488	/nfs/dbraw/zinc/86/94/88/344869488.db2.gz	KHXTTYXNQIGOMX-XQHKEYJVSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@@H]1CC[C@@](O)(C2CCCC2)C[C@H]1C	251948482	344882060	/nfs/dbraw/zinc/88/20/60/344882060.db2.gz	WOWQSNKLLOUOIK-WZRBSPASSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@H]1C[C@@H](C)C[C@H](C(=O)[C@@H]2C[C@@H]2C)C1	252197516	344891253	/nfs/dbraw/zinc/89/12/53/344891253.db2.gz	VSNDGFCQJHKAQO-RNWYCLNJSA-N	0	0	194.318	3.284	10	0		AGAERN
C[C@H]1C[C@@H](C)C[C@H](C(=O)C2CC2)C1	252219147	344893257	/nfs/dbraw/zinc/89/32/57/344893257.db2.gz	ZXJZLSMWCXQSNW-JZYVYDRUSA-N	0	0	180.291	3.038	10	0		AGAERN
CC[C@H](C)[C@]1(O)CC[C@H](C)[C@@H](C)C1	252617992	344905491	/nfs/dbraw/zinc/90/54/91/344905491.db2.gz	CRCSYORGHQODQR-BJDJZHNGSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@]1(O)C[C@@H](C)CC[C@H]1C(C)C	252424094	344895668	/nfs/dbraw/zinc/89/56/68/344895668.db2.gz	DYCABLGCXHCEMN-SRVKXCTJSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@@H]1CC(C)(C)C[C@@]12[C@H](CO)C2(C)C	300900910	345010928	/nfs/dbraw/zinc/01/09/28/345010928.db2.gz	CGEXBCFRACYLJX-BREBYQMCSA-N	0	0	196.334	3.077	10	0		AGAERN
CCc1cc(NC(C)C)ccc1C	300783692	344997114	/nfs/dbraw/zinc/99/71/14/344997114.db2.gz	UZHPPIQPLILFHN-UHFFFAOYSA-N	0	0	177.291	3.378	10	0		AGAERN
C[C@H]1C[C@@]2(CC[C@H]1C)[C@H](CO)C2(C)C	300927836	345014242	/nfs/dbraw/zinc/01/42/42/345014242.db2.gz	FHMQIXPGGKKLLQ-XZUYRWCXSA-N	0	0	196.334	3.077	10	0		AGAERN
C[C@@H]1CC[C@]2(C[C@H]1C)[C@@H](CO)C2(C)C	300927831	345014259	/nfs/dbraw/zinc/01/42/59/345014259.db2.gz	FHMQIXPGGKKLLQ-DCQANWLSSA-N	0	0	196.334	3.077	10	0		AGAERN
C[C@H]1C[C@@]2(CC[C@H]1C)[C@@H](CO)C2(C)C	300927829	345014318	/nfs/dbraw/zinc/01/43/18/345014318.db2.gz	FHMQIXPGGKKLLQ-BLFANLJRSA-N	0	0	196.334	3.077	10	0		AGAERN
C[C@@H]1CC[C@]2(C[C@H]1C)[C@H](CO)C2(C)C	300927833	345014327	/nfs/dbraw/zinc/01/43/27/345014327.db2.gz	FHMQIXPGGKKLLQ-UZWSLXQKSA-N	0	0	196.334	3.077	10	0		AGAERN
CCNc1nc2cccc(C)c2s1	306148016	345036398	/nfs/dbraw/zinc/03/63/98/345036398.db2.gz	AUEPFXAZMPIOQF-UHFFFAOYSA-N	0	0	192.287	3.037	10	0		AGAERN
Cc1ccc(N)cc1C1=CCCC1	306177885	345068299	/nfs/dbraw/zinc/06/82/99/345068299.db2.gz	XSXHDLCPILITHT-UHFFFAOYSA-N	0	0	173.259	3.145	10	0		AGAERN
CSC[C@@H]1C[C@H]1c1ccccc1	306182199	345073508	/nfs/dbraw/zinc/07/35/08/345073508.db2.gz	WSOMQYUIMGFCDK-QWRGUYRKSA-N	0	0	178.300	3.153	10	0		AGAERN
CC(C)C[C@H](C)[C@@H]1CCCCC1=O	306193401	345083567	/nfs/dbraw/zinc/08/35/67/345083567.db2.gz	KQYLQTUUMLWSJI-QWRGUYRKSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)C[C@H](C)[C@H]1CCCCC1=O	306193402	345083569	/nfs/dbraw/zinc/08/35/69/345083569.db2.gz	KQYLQTUUMLWSJI-WDEREUQCSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)C[C@@H](C)[C@H]1CCCCC1=O	306193399	345083585	/nfs/dbraw/zinc/08/35/85/345083585.db2.gz	KQYLQTUUMLWSJI-GHMZBOCLSA-N	0	0	182.307	3.428	10	0		AGAERN
Fc1ccccc1N[C@@H]1CC[C@@H]2C[C@@H]21	306202289	345091260	/nfs/dbraw/zinc/09/12/60/345091260.db2.gz	SHHWZJOOJKUKED-WCABBAIRSA-N	0	0	191.249	3.036	10	0		AGAERN
CCc1oc(=S)[nH]c1C1CCCC1	306217308	345108779	/nfs/dbraw/zinc/10/87/79/345108779.db2.gz	MDDPOWBNPTVZOE-UHFFFAOYSA-N	0	0	197.303	3.183	10	0		AGAERN
CC1(C[C@H]2CCCC2=O)CCCC1	306222374	345115427	/nfs/dbraw/zinc/11/54/27/345115427.db2.gz	WPJFNENKOFWEJN-SNVBAGLBSA-N	0	0	180.291	3.326	10	0		AGAERN
O=Cc1occc1C1=CCCCC1	306225133	345118340	/nfs/dbraw/zinc/11/83/40/345118340.db2.gz	AFHHPFCHXZBCEU-UHFFFAOYSA-N	0	0	176.215	3.050	10	0		AGAERN
CC[C@H](C)Oc1cc(F)ccc1F	306227494	345120481	/nfs/dbraw/zinc/12/04/81/345120481.db2.gz	HLWBWEUGLKYCAF-ZETCQYMHSA-N	0	0	186.201	3.142	10	0		AGAERN
Cc1ccc(Cl)c(C(=O)C2CC2)c1	306276422	345164175	/nfs/dbraw/zinc/16/41/75/345164175.db2.gz	GXEJZXSYKCRGBM-UHFFFAOYSA-N	0	0	194.661	3.241	10	0		AGAERN
Cc1ccc2c(c1F)NCC[C@H]2C	306287868	345170729	/nfs/dbraw/zinc/17/07/29/345170729.db2.gz	LHKHCNVHQCLRHG-SSDOTTSWSA-N	0	0	179.238	3.053	10	0		AGAERN
Cc1ccc2c(c1F)NCC[C@@H]2C	306287869	345170733	/nfs/dbraw/zinc/17/07/33/345170733.db2.gz	LHKHCNVHQCLRHG-ZETCQYMHSA-N	0	0	179.238	3.053	10	0		AGAERN
C[C@H]1CCNc2c(F)ccc(Cl)c21	306294388	345176075	/nfs/dbraw/zinc/17/60/75/345176075.db2.gz	VXYGGBFLWUBLAH-LURJTMIESA-N	0	0	199.656	3.398	10	0		AGAERN
CC[C@H](F)CNc1cc(C)ccc1C	306331558	345208741	/nfs/dbraw/zinc/20/87/41/345208741.db2.gz	FYJANRZYFSKDPI-NSHDSACASA-N	0	0	195.281	3.463	10	0		AGAERN
C[C@@H]([C@@H](O)C1CCCC1)C(C)(C)C	306335243	345211130	/nfs/dbraw/zinc/21/11/30/345211130.db2.gz	GJQCZXMYSHEKLE-GXSJLCMTSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@@H]1CCNc2cccc(F)c2S1	306328621	345206143	/nfs/dbraw/zinc/20/61/43/345206143.db2.gz	LSOMHPMFLJHACK-SSDOTTSWSA-N	0	0	197.278	3.122	10	0		AGAERN
CNc1ccc(-c2ccsc2)cc1	306430613	345288681	/nfs/dbraw/zinc/28/86/81/345288681.db2.gz	QEVBDBLZBQKIFO-UHFFFAOYSA-N	0	0	189.283	3.457	10	0		AGAERN
Cc1c(N)csc1CC(C)(C)C	306451174	345311689	/nfs/dbraw/zinc/31/16/89/345311689.db2.gz	BJICCEFHZQONSG-UHFFFAOYSA-N	0	0	183.320	3.227	10	0		AGAERN
Cc1cc(OC2CCC2)ccc1F	306469865	345332830	/nfs/dbraw/zinc/33/28/30/345332830.db2.gz	PVYKHIULWZPDDD-UHFFFAOYSA-N	0	0	180.222	3.065	10	0		AGAERN
Cc1ccccc1S[C@H]1CCCO1	306469871	345332817	/nfs/dbraw/zinc/33/28/17/345332817.db2.gz	PXKFBBPVQPJNEN-NSHDSACASA-N	0	0	194.299	3.224	10	0		AGAERN
Cc1sccc1/C=C(\CO)C(C)C	306487121	345357201	/nfs/dbraw/zinc/35/72/01/345357201.db2.gz	SYFXCQHJHGUCLL-IZZDOVSWSA-N	0	0	196.315	3.088	10	0		AGAERN
C[C@H]1C[C@H]1c1csc(Cl)c1N	306488813	345359663	/nfs/dbraw/zinc/35/96/63/345359663.db2.gz	SGTWEQOCVDUBRC-CRCLSJGQSA-N	0	0	187.695	3.107	10	0		AGAERN
CCc1sc(=S)[nH]c1C1CCC1	306496653	345370835	/nfs/dbraw/zinc/37/08/35/345370835.db2.gz	YCRPLPJDRGMNRM-UHFFFAOYSA-N	0	0	199.344	3.262	10	0		AGAERN
C[C@H]1CC[C@@]1(O)CC1(C)CCCC1	306497517	345371591	/nfs/dbraw/zinc/37/15/91/345371591.db2.gz	RWOIFHSOTCGZGX-CMPLNLGQSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@H](O)[C@@H]1CCCCC12CCCC2	306537808	345410897	/nfs/dbraw/zinc/41/08/97/345410897.db2.gz	OJZQDFHZCHGBHI-QWRGUYRKSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@H]1CCNc2c(Cl)cc(F)cc21	306538483	345411960	/nfs/dbraw/zinc/41/19/60/345411960.db2.gz	SSAZGRWXCBMEAK-LURJTMIESA-N	0	0	199.656	3.398	10	0		AGAERN
CC(C)(C)SCc1cncc(F)c1	306539837	345413962	/nfs/dbraw/zinc/41/39/62/345413962.db2.gz	NZZPRUZSHNHFGF-UHFFFAOYSA-N	0	0	199.294	3.252	10	0		AGAERN
Cc1cnc(C(C)(C)OC(C)C)s1	306561740	345437735	/nfs/dbraw/zinc/43/77/35/345437735.db2.gz	NSCUPERWZQQCER-UHFFFAOYSA-N	0	0	199.319	3.112	10	0		AGAERN
CC1([C@H](O)CC2=CCCC2)CCCC1	306571243	345448626	/nfs/dbraw/zinc/44/86/26/345448626.db2.gz	FWGWEIOSKWGWIK-GFCCVEGCSA-N	0	0	194.318	3.428	10	0		AGAERN
CCc1cc(F)cc(C)c1C	306580969	345458380	/nfs/dbraw/zinc/45/83/80/345458380.db2.gz	OFKDGSZPNJQJIB-UHFFFAOYSA-N	0	0	152.212	3.005	10	0		AGAERN
CCc1scc(N)c1[C@H]1CC1(C)C	306585013	345462323	/nfs/dbraw/zinc/46/23/23/345462323.db2.gz	QOBUAIIHRGYTFD-SSDOTTSWSA-N	0	0	195.331	3.406	10	0		AGAERN
CC[C@@H]1C[C@H]1[C@@H](O)C1=CCCCCC1	306594317	345471203	/nfs/dbraw/zinc/47/12/03/345471203.db2.gz	FOEHDSUFKKQVHE-RTXFEEFZSA-N	0	0	194.318	3.284	10	0		AGAERN
Cc1ccccc1N[C@@H]1CC[C@@H]2C[C@@H]21	306635011	345503293	/nfs/dbraw/zinc/50/32/93/345503293.db2.gz	YDDDDDABWMWCLX-NTZNESFSSA-N	0	0	187.286	3.205	10	0		AGAERN
Cc1ccc(C)n1[C@H]1CCS[C@H]1C	306656076	345521817	/nfs/dbraw/zinc/52/18/17/345521817.db2.gz	ZDURXJWDHLMGLB-QWRGUYRKSA-N	0	0	195.331	3.171	10	0		AGAERN
Cc1ccc(O)cc1-c1cccs1	306670864	345532397	/nfs/dbraw/zinc/53/23/97/345532397.db2.gz	XYFIEGXPQAWING-UHFFFAOYSA-N	0	0	190.267	3.429	10	0		AGAERN
FC1(CNc2cccc(Cl)c2)CC1	306684574	345545798	/nfs/dbraw/zinc/54/57/98/345545798.db2.gz	DBILBJAKQYYYNR-UHFFFAOYSA-N	0	0	199.656	3.254	10	0		AGAERN
CCc1ccccc1C(=O)C1(C)CC1	306698968	345554275	/nfs/dbraw/zinc/55/42/75/345554275.db2.gz	DFQQDNBVDDFIFL-UHFFFAOYSA-N	0	0	188.270	3.232	10	0		AGAERN
Cc1cscc1N[C@H](C)C(F)F	306782638	345611429	/nfs/dbraw/zinc/61/14/29/345611429.db2.gz	FVZIIIVEOSXBFG-ZCFIWIBFSA-N	0	0	191.246	3.122	10	0		AGAERN
Cc1sc(=S)[nH]c1[C@H]1CC1(C)C	306856747	345661001	/nfs/dbraw/zinc/66/10/01/345661001.db2.gz	YNSUXDVZPPURAZ-ZCFIWIBFSA-N	0	0	199.344	3.254	10	0		AGAERN
CCC(=O)c1cc(C)c(F)cc1C	306859494	345662781	/nfs/dbraw/zinc/66/27/81/345662781.db2.gz	CUBBEKIKEXHTTM-UHFFFAOYSA-N	0	0	180.222	3.035	10	0		AGAERN
CCOc1cc(C)cc(Cl)c1F	306901988	345692211	/nfs/dbraw/zinc/69/22/11/345692211.db2.gz	PJZJTOXGUVRTND-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
CCOc1cc(F)cc(Cl)c1F	306905708	345693672	/nfs/dbraw/zinc/69/36/72/345693672.db2.gz	XNHUXONMLYBWHO-UHFFFAOYSA-N	0	0	192.592	3.017	10	0		AGAERN
CCc1cc(O)cc(Cl)c1Cl	306913641	345695966	/nfs/dbraw/zinc/69/59/66/345695966.db2.gz	PTMSJHCKUWRKNL-UHFFFAOYSA-N	0	0	191.057	3.261	10	0		AGAERN
CCc1cc(Cl)c(F)cc1C	306929362	345703970	/nfs/dbraw/zinc/70/39/70/345703970.db2.gz	AYVHZTYRYJZGFF-UHFFFAOYSA-N	0	0	172.630	3.350	10	0		AGAERN
Cc1c(F)ccc(Cl)c1CF	306938657	345708425	/nfs/dbraw/zinc/70/84/25/345708425.db2.gz	NCFOJCDHKKLRHN-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
CSc1cc(F)c(Cl)cc1F	306945692	345711805	/nfs/dbraw/zinc/71/18/05/345711805.db2.gz	APKFFXSDKDRWBO-UHFFFAOYSA-N	0	0	194.633	3.340	10	0		AGAERN
CSc1c(F)ccc(F)c1Cl	306955370	345717597	/nfs/dbraw/zinc/71/75/97/345717597.db2.gz	AIYBEMUSVYOLJK-UHFFFAOYSA-N	0	0	194.633	3.340	10	0		AGAERN
C[C@@H]1CC[C@@H](O)[C@H](CC2(C)CCC2)C1	307033364	345767916	/nfs/dbraw/zinc/76/79/16/345767916.db2.gz	SNSXOILVMNRKJA-GRYCIOLGSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@@H]1CC[C@H](O)[C@H](CC2(C)CCC2)C1	307033367	345767960	/nfs/dbraw/zinc/76/79/60/345767960.db2.gz	SNSXOILVMNRKJA-WOPDTQHZSA-N	0	0	196.334	3.364	10	0		AGAERN
CCc1ccc(C)c(C)c1F	307038532	345771291	/nfs/dbraw/zinc/77/12/91/345771291.db2.gz	GCSMOWKDYLFYEY-UHFFFAOYSA-N	0	0	152.212	3.005	10	0		AGAERN
Cc1ccc(F)c(C(F)F)c1C	307114051	345817458	/nfs/dbraw/zinc/81/74/58/345817458.db2.gz	SCJIHYNOBAWPIB-UHFFFAOYSA-N	0	0	174.165	3.380	10	0		AGAERN
CSc1cc(C)c(C)c(F)c1	307090002	345804338	/nfs/dbraw/zinc/80/43/38/345804338.db2.gz	PDOXJOLBZYZEKK-UHFFFAOYSA-N	0	0	170.252	3.164	10	0		AGAERN
CCOc1cccc2c1NCC[C@@H]2C	307150620	345842786	/nfs/dbraw/zinc/84/27/86/345842786.db2.gz	ULAYUFVQPNVBCT-VIFPVBQESA-N	0	0	191.274	3.004	10	0		AGAERN
Cc1ccc(N[C@@H]2C[C@@H](C)[C@H]2C)cc1	307248807	345920764	/nfs/dbraw/zinc/92/07/64/345920764.db2.gz	IIOHMCKOJWDNDP-NQBHXWOUSA-N	0	0	189.302	3.451	10	0		AGAERN
Cc1ccc(N[C@@H]2C[C@H](C)[C@@H]2C)cc1	307248806	345920843	/nfs/dbraw/zinc/92/08/43/345920843.db2.gz	IIOHMCKOJWDNDP-GMXVVIOVSA-N	0	0	189.302	3.451	10	0		AGAERN
C[C@H]1CCC[C@H]1c1nccc(Cl)n1	307253300	345924678	/nfs/dbraw/zinc/92/46/78/345924678.db2.gz	UZVOBKQDHVUUHB-JGVFFNPUSA-N	0	0	196.681	3.034	10	0		AGAERN
C[C@@H]1CCC[C@@H]1c1nccs1	307255199	345926761	/nfs/dbraw/zinc/92/67/61/345926761.db2.gz	ZDUJRFGEYZVUQB-SFYZADRCSA-N	0	0	167.277	3.047	10	0		AGAERN
CCOc1cc(Cl)cc(C)c1F	307270957	345938385	/nfs/dbraw/zinc/93/83/85/345938385.db2.gz	ATWNJNYMMPKOHB-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
CCc1cc(F)cc(F)c1C(F)F	307273208	345939758	/nfs/dbraw/zinc/93/97/58/345939758.db2.gz	IFMXIRFXJNZUFB-UHFFFAOYSA-N	0	0	192.155	3.465	10	0		AGAERN
CCOc1cc(C)c(Cl)c(F)c1	307273439	345939793	/nfs/dbraw/zinc/93/97/93/345939793.db2.gz	JDXQQJXTWCJZJI-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
CCC1([C@H](O)c2ccc(F)cc2)CC1	307274249	345940447	/nfs/dbraw/zinc/94/04/47/345940447.db2.gz	YWSGAHNYUFYXGO-LLVKDONJSA-N	0	0	194.249	3.049	10	0		AGAERN
CCC1([C@@H](O)c2ccc(F)cc2)CC1	307274250	345940513	/nfs/dbraw/zinc/94/05/13/345940513.db2.gz	YWSGAHNYUFYXGO-NSHDSACASA-N	0	0	194.249	3.049	10	0		AGAERN
C[C@@H]1CCCC[C@H]1c1cnc(N)s1	307304891	345958910	/nfs/dbraw/zinc/95/89/10/345958910.db2.gz	HJMRFUUKYSZUAO-HTQZYQBOSA-N	0	0	196.319	3.019	10	0		AGAERN
C[C@H]1CCCC[C@H]1c1cnc(N)s1	307304892	345958951	/nfs/dbraw/zinc/95/89/51/345958951.db2.gz	HJMRFUUKYSZUAO-JGVFFNPUSA-N	0	0	196.319	3.019	10	0		AGAERN
CNc1cccc(Cl)c1NC(C)C	307313370	345964345	/nfs/dbraw/zinc/96/43/45/345964345.db2.gz	HEMFQCLJQIXQEX-UHFFFAOYSA-N	0	0	198.697	3.202	10	0		AGAERN
CC[C@@](O)(c1ccoc1)C1CCCC1	307310236	345962347	/nfs/dbraw/zinc/96/23/47/345962347.db2.gz	IOBJNDYNNZUXKB-LBPRGKRZSA-N	0	0	194.274	3.067	10	0		AGAERN
CC(=O)[C@H](C)[C@H]1CC2CCC1CC2	307399745	346017828	/nfs/dbraw/zinc/01/78/28/346017828.db2.gz	XQRSKULJRNRJBY-HQIWOYNQSA-N	0	0	180.291	3.038	10	0		AGAERN
Cc1cc(C=O)ccc1C1=CCCC1	307403266	346020904	/nfs/dbraw/zinc/02/09/04/346020904.db2.gz	CRURVINHYXLSNH-UHFFFAOYSA-N	0	0	186.254	3.375	10	0		AGAERN
Cc1nc(-c2ccco2)c(C)s1	307442175	346042960	/nfs/dbraw/zinc/04/29/60/346042960.db2.gz	AODWIFYRJYZWKT-UHFFFAOYSA-N	0	0	179.244	3.020	10	0		AGAERN
Cc1cc(=S)n([C@@H](C)C(C)(C)C)[nH]1	307467952	346058374	/nfs/dbraw/zinc/05/83/74/346058374.db2.gz	LTXPKZQTAQGEOZ-QMMMGPOBSA-N	0	0	198.335	3.087	10	0		AGAERN
Fc1cccc(Cl)c1-c1ccon1	307472399	346060849	/nfs/dbraw/zinc/06/08/49/346060849.db2.gz	ZBEBZODJPRAOOE-UHFFFAOYSA-N	0	0	197.596	3.134	10	0		AGAERN
C[C@H]1[C@H](C)C[C@H]1Nc1cccc(F)c1	307472694	346060876	/nfs/dbraw/zinc/06/08/76/346060876.db2.gz	GBJIWQIMYFYIDR-VDDIYKPWSA-N	0	0	193.265	3.282	10	0		AGAERN
Cc1cscc1N[C@H]1CC[C@H]1C	307483296	346067382	/nfs/dbraw/zinc/06/73/82/346067382.db2.gz	ACBATMNRUKUQIJ-APPZFPTMSA-N	0	0	181.304	3.267	10	0		AGAERN
C[C@@H]1[C@@H](O)CC[C@@H]1CC1(C)CCCC1	307487084	346069651	/nfs/dbraw/zinc/06/96/51/346069651.db2.gz	CNNJWIFRPDPWJA-TUAOUCFPSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@@H]1[C@@H](O)CC[C@H]1CC1(C)CCCC1	307487082	346069663	/nfs/dbraw/zinc/06/96/63/346069663.db2.gz	CNNJWIFRPDPWJA-SRVKXCTJSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@H]1[C@H](CC2(C)CCCC2)CC[C@H]1O	307487081	346069665	/nfs/dbraw/zinc/06/96/65/346069665.db2.gz	CNNJWIFRPDPWJA-SDDRHHMPSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC1(Nc2nc(C)c(C)s2)CC1	307486888	346069694	/nfs/dbraw/zinc/06/96/94/346069694.db2.gz	VJYSYKYHIVYHOX-UHFFFAOYSA-N	0	0	196.319	3.114	10	0		AGAERN
Cc1cc(F)c(OCF)c(Cl)c1	307514679	346085208	/nfs/dbraw/zinc/08/52/08/346085208.db2.gz	RMBDWIVPYRCAHQ-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
Cc1cocc1-c1cc(=S)cc[nH]1	307507133	346080394	/nfs/dbraw/zinc/08/03/94/346080394.db2.gz	YYIOWHBNHGSHBT-UHFFFAOYSA-N	0	0	191.255	3.313	10	0		AGAERN
Cc1ccn(C[C@H]2CCC[C@@H](C)C2)n1	307536152	346098051	/nfs/dbraw/zinc/09/80/51/346098051.db2.gz	PPYPMKFGMVNXAZ-PWSUYJOCSA-N	0	0	192.306	3.018	10	0		AGAERN
Cc1ccn(C[C@@H]2CCC[C@@H](C)C2)n1	307536153	346098061	/nfs/dbraw/zinc/09/80/61/346098061.db2.gz	PPYPMKFGMVNXAZ-ZYHUDNBSSA-N	0	0	192.306	3.018	10	0		AGAERN
Cc1ccn(C[C@@H]2CCC[C@H](C)C2)n1	307536150	346098062	/nfs/dbraw/zinc/09/80/62/346098062.db2.gz	PPYPMKFGMVNXAZ-CMPLNLGQSA-N	0	0	192.306	3.018	10	0		AGAERN
CC[C@@H]1CC[C@@H](C2=NC(=O)CS2)C1	307541433	346101222	/nfs/dbraw/zinc/10/12/22/346101222.db2.gz	RWKFZPGDVPQTSM-HTQZYQBOSA-N	0	0	197.303	3.142	10	0		AGAERN
CC[C@H]1CC[C@@H](C2=NC(=O)CS2)C1	307541434	346101241	/nfs/dbraw/zinc/10/12/41/346101241.db2.gz	RWKFZPGDVPQTSM-JGVFFNPUSA-N	0	0	197.303	3.142	10	0		AGAERN
C[C@@H]1CCNc2c1ccc(Cl)c2F	307556984	346111009	/nfs/dbraw/zinc/11/10/09/346111009.db2.gz	UVMUOXBPYIKRJL-ZCFIWIBFSA-N	0	0	199.656	3.398	10	0		AGAERN
Cc1ccc(F)c(C)c1C(F)F	307557508	346111716	/nfs/dbraw/zinc/11/17/16/346111716.db2.gz	LANLKYREMFSCSQ-UHFFFAOYSA-N	0	0	174.165	3.380	10	0		AGAERN
CCC(=O)[C@@H]1C[C@@H](C)c2ccccc21	307579516	346125825	/nfs/dbraw/zinc/12/58/25/346125825.db2.gz	VIHYIVQRISRHEL-BXKDBHETSA-N	0	0	188.270	3.257	10	0		AGAERN
CCOc1c(Cl)ccc(F)c1C	307621335	346152280	/nfs/dbraw/zinc/15/22/80/346152280.db2.gz	BXBQQRWPRCQVOO-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
CCc1cc(F)c(C(F)F)c(F)c1	307621034	346152283	/nfs/dbraw/zinc/15/22/83/346152283.db2.gz	JEQLILAJYFADBG-UHFFFAOYSA-N	0	0	192.155	3.465	10	0		AGAERN
FCCCSC1CCCC1	307673632	346175926	/nfs/dbraw/zinc/17/59/26/346175926.db2.gz	BCJVAUFEIWDRTQ-UHFFFAOYSA-N	0	0	162.273	3.022	10	0		AGAERN
CNc1cccc2ccc(F)cc12	307709360	346196675	/nfs/dbraw/zinc/19/66/75/346196675.db2.gz	LYQGDYHBAKDSIK-UHFFFAOYSA-N	0	0	175.206	3.021	10	0		AGAERN
C[C@@H](CSCC1CC1)C(F)(F)F	307948466	346240328	/nfs/dbraw/zinc/24/03/28/346240328.db2.gz	LWFKIDOXANPRNU-LURJTMIESA-N	0	0	198.253	3.328	10	0		AGAERN
CCC[C@H](NO)c1ccc(CC)cc1	308374522	346294100	/nfs/dbraw/zinc/29/41/00/346294100.db2.gz	ITIANSAULQRSMM-LBPRGKRZSA-N	0	0	193.290	3.069	10	0		AGAERN
CCCCC/C=C/C(=O)C1CC1	379324867	346497030	/nfs/dbraw/zinc/49/70/30/346497030.db2.gz	VSTBPVMUTQJINP-VOTSOKGWSA-N	0	0	166.264	3.102	10	0		AGAERN
C/C=C\CSCCC(C)(C)OC	379334709	346501265	/nfs/dbraw/zinc/50/12/65/346501265.db2.gz	PVXOXDWWTMAMHI-WAYWQWQTSA-N	0	0	188.336	3.111	10	0		AGAERN
C/C=C\C(=O)c1c(C)cccc1C	382644630	346535921	/nfs/dbraw/zinc/53/59/21/346535921.db2.gz	UGZUIANNPDKXLZ-XQRVVYSFSA-N	0	0	174.243	3.062	10	0		AGAERN
CC(C)/C(=C\[C@@H]1CCCC[C@H]1C)CO	394836685	346585564	/nfs/dbraw/zinc/58/55/64/346585564.db2.gz	ROLWRTKFNAXOHB-LSOFDGFXSA-N	0	0	196.334	3.387	10	0		AGAERN
FCc1ccc(-c2cscn2)cc1	498035742	346709107	/nfs/dbraw/zinc/70/91/07/346709107.db2.gz	FCXSLESIMZFUEX-UHFFFAOYSA-N	0	0	193.246	3.280	10	0		AGAERN
Cc1cccc(COc2ccccc2)c1	575154827	346714160	/nfs/dbraw/zinc/71/41/60/346714160.db2.gz	LITHKAKVOLXWHU-UHFFFAOYSA-N	0	0	197.257	3.325	10	0		AGAERN
Cc1cc(C)cc(OC(C)(C)C)c1	575154971	346714646	/nfs/dbraw/zinc/71/46/46/346714646.db2.gz	TWEHDYCUISWXLL-UHFFFAOYSA-N	0	0	177.267	3.395	10	0		AGAERN
Cc1nc(CSCC(C)(C)C)co1	590597229	346784085	/nfs/dbraw/zinc/78/40/85/346784085.db2.gz	BKNWUMBNVMJZJF-UHFFFAOYSA-N	0	0	199.319	3.262	10	0		AGAERN
CCCSCCC1(OC)CCC1	591379838	346813243	/nfs/dbraw/zinc/81/32/43/346813243.db2.gz	BFRSPSWPOXHKOZ-UHFFFAOYSA-N	0	0	188.336	3.089	10	0		AGAERN
c1ncc(CSC2CCCC2)s1	594878500	346851932	/nfs/dbraw/zinc/85/19/32/346851932.db2.gz	BODDQZUGSLIBGE-UHFFFAOYSA-N	0	0	199.344	3.319	10	0		AGAERN
Cc1nc(CS[C@H](C)C(C)C)co1	594894704	346853469	/nfs/dbraw/zinc/85/34/69/346853469.db2.gz	DTQSXZBYILJXDO-MRVPVSSYSA-N	0	0	199.319	3.261	10	0		AGAERN
C[C@H]1OCC[C@H]1SCC1=CCCC1	592348119	346829228	/nfs/dbraw/zinc/82/92/28/346829228.db2.gz	HFFCVADSPQQICP-MWLCHTKSSA-N	0	0	198.331	3.007	10	0		AGAERN
Cc1ccc([C@H]2CCCC[C@@H]2F)nc1	606304232	346980577	/nfs/dbraw/zinc/98/05/77/346980577.db2.gz	SSBSCQWABIDLJZ-QWRGUYRKSA-N	0	0	193.265	3.386	10	0		AGAERN
CCCc1ccc(C[N@H+](C)CC)s1	621711088	347231123	/nfs/dbraw/zinc/23/11/23/347231123.db2.gz	DQPGNTOUFLUNGU-UHFFFAOYSA-N	0	0	197.347	3.152	10	0		AGAERN
C[C@@H]1C[C@@H]1CSc1ccc(O)cc1	629143175	347335237	/nfs/dbraw/zinc/33/52/37/347335237.db2.gz	BBNPVJUQHFQQDY-RKDXNWHRSA-N	0	0	194.299	3.140	10	0		AGAERN
Cc1occc1SC[C@H]1C[C@@H]1C	629168827	347335780	/nfs/dbraw/zinc/33/57/80/347335780.db2.gz	GQTXXNKRGMIRNC-IONNQARKSA-N	0	0	182.288	3.336	10	0		AGAERN
C[C@@H]1CCC[C@H](c2ccccc2)C1=O	21991023	351409950	/nfs/dbraw/zinc/40/99/50/351409950.db2.gz	LAFLVXLMEIBOGU-ZYHUDNBSSA-N	0	0	188.270	3.159	10	0		AGAERN
C[C@@H](c1ccccc1)c1ccncc1	34622190	351444404	/nfs/dbraw/zinc/44/44/04/351444404.db2.gz	XGFRYLCIQYDSPE-NSHDSACASA-N	0	0	183.254	3.233	10	0		AGAERN
C[C@@H]1CCc2cc(Cl)ccc2N1	39401440	351502365	/nfs/dbraw/zinc/50/23/65/351502365.db2.gz	WUZJKNLZGXOHQC-SSDOTTSWSA-N	0	0	181.666	3.087	10	0		AGAERN
O=C1CCCCc2cccc(Cl)c21	205587951	229141437	/nfs/dbraw/zinc/14/14/37/229141437.db2.gz	PEBBLIRRDVHYAP-UHFFFAOYSA-N	0	0	194.661	3.249	10	0	in-vitro	AGAERN
Cc1cc(C)c(N=O)c(C)c1	3847093	229142011	/nfs/dbraw/zinc/14/20/11/229142011.db2.gz	FEKDDEQYKDNKJG-UHFFFAOYSA-N	0	0	149.193	3.010	10	0		AGAERN
Cc1cc(C(=O)[C@H]2CC23CC3)cs1	575488522	352349345	/nfs/dbraw/zinc/34/93/45/352349345.db2.gz	SPVITGLGHAXQHH-SECBINFHSA-N	0	0	192.283	3.039	10	0		AGAERN
Cc1cc(C(=O)C2CC(C)C2)cs1	575490635	352358106	/nfs/dbraw/zinc/35/81/06/352358106.db2.gz	IYNGPLFCWHPWLN-UHFFFAOYSA-N	0	0	194.299	3.285	10	0		AGAERN
C[C@H]1C[C@@H]1C(=O)[C@H]1CCCC[C@H]1C	575586302	352806909	/nfs/dbraw/zinc/80/69/09/352806909.db2.gz	BFRPGAHVSXKUQJ-RCWTZXSCSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(=O)[C@H](C)[C@H]1CCCC[C@@H]1C	575587908	352815010	/nfs/dbraw/zinc/81/50/10/352815010.db2.gz	OGBUBOYQHOKNJI-QXEWZRGKSA-N	0	0	168.280	3.038	10	0		AGAERN
CCc1cc(C=O)cc(C(F)F)c1C	575668531	352883216	/nfs/dbraw/zinc/88/32/16/352883216.db2.gz	RPOXDXPRTRCEPZ-UHFFFAOYSA-N	0	0	198.212	3.308	10	0		AGAERN
CCOc1cc(C)c(CC)cc1F	575696858	352889006	/nfs/dbraw/zinc/88/90/06/352889006.db2.gz	PUWWUDDHUKQRSA-UHFFFAOYSA-N	0	0	182.238	3.095	10	0		AGAERN
CCOc1ccc(C)c(CC)c1C	575696799	352889010	/nfs/dbraw/zinc/88/90/10/352889010.db2.gz	RVNNBIVQZCAEDK-UHFFFAOYSA-N	0	0	178.275	3.265	10	0		AGAERN
CCOc1cc(F)c(CC)cc1C	575693944	352886151	/nfs/dbraw/zinc/88/61/51/352886151.db2.gz	ANYQCZKYUQPGHP-UHFFFAOYSA-N	0	0	182.238	3.095	10	0		AGAERN
Cc1coc(S[C@H]2CC[C@H](C)C2)n1	306953363	409604673	/nfs/dbraw/zinc/60/46/73/409604673.db2.gz	IBBVRUJHBUJHFF-CBAPKCEASA-N	0	0	197.303	3.264	10	0		AGAERN
CC1=CCC[C@@]2(C)CC(=O)CC[C@H]12	36448233	290747908	/nfs/dbraw/zinc/74/79/08/290747908.db2.gz	NBHKNHAIXORYMW-NEPJUHHUSA-N	0	0	178.275	3.102	10	0	biogenic,in-vitro	AGAERN
CCCc1nccc2ccccc12	32188369	325598268	/nfs/dbraw/zinc/59/82/68/325598268.db2.gz	WGBFAILGFRYCLA-UHFFFAOYSA-N	0	0	171.243	3.187	10	0		AGAERN
CC(=O)CCCCCCCCC(C)=O	32155500	325598276	/nfs/dbraw/zinc/59/82/76/325598276.db2.gz	IALFUWZSWAKBDF-UHFFFAOYSA-N	0	0	198.306	3.285	10	0		AGAERN
FC(F)(F)SNc1ccccc1	66325546	325604690	/nfs/dbraw/zinc/60/46/90/325604690.db2.gz	GYSYFBPOQKDJLU-UHFFFAOYSA-N	0	0	193.193	3.267	10	0		AGAERN
Clc1ccc(OC2CCC2)cc1	90216168	325612048	/nfs/dbraw/zinc/61/20/48/325612048.db2.gz	RFGYQPOZNNHFDQ-UHFFFAOYSA-N	0	0	182.650	3.271	10	0		AGAERN
Fc1ccc(OC2CCCC2)c(F)c1	96029183	325612895	/nfs/dbraw/zinc/61/28/95/325612895.db2.gz	QAONWQVCKRUFRG-UHFFFAOYSA-N	0	0	198.212	3.286	10	0		AGAERN
CCC/C=C(\C)C(C)C	96029522	325612946	/nfs/dbraw/zinc/61/29/46/325612946.db2.gz	DGWZUHXBELPHMZ-VQHVLOKHSA-N	0	0	126.243	3.389	10	0		AGAERN
c1cc(C2CC2)c2[nH]ccc2c1	138944912	325623395	/nfs/dbraw/zinc/62/33/95/325623395.db2.gz	RAJCAKXCOSYMMJ-UHFFFAOYSA-N	0	0	157.216	3.045	10	0		AGAERN
CC/C=C\CCn1ccnc1C1CC1	530129122	325664393	/nfs/dbraw/zinc/66/43/93/325664393.db2.gz	HPKPNVOALGEDFW-ARJAWSKDSA-N	0	0	190.290	3.117	10	0		AGAERN
CC/C=C/CCn1ccnc1C1CC1	530129123	325664504	/nfs/dbraw/zinc/66/45/04/325664504.db2.gz	HPKPNVOALGEDFW-ONEGZZNKSA-N	0	0	190.290	3.117	10	0		AGAERN
CCC(=O)CCC1CCCCC1	1726904	342962771	/nfs/dbraw/zinc/96/27/71/342962771.db2.gz	JGYXZPNVMBFKCA-UHFFFAOYSA-N	0	0	168.280	3.326	10	0		AGAERN
Cc1cc(-c2ccsc2)cc(C)n1	110132	342927015	/nfs/dbraw/zinc/92/70/15/342927015.db2.gz	SJVOZLZHZSWTSS-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
Cc1nc2cc3ccccc3cc2n1C	184654	342931221	/nfs/dbraw/zinc/93/12/21/342931221.db2.gz	YOOTWGQEOZEBEG-UHFFFAOYSA-N	0	0	196.253	3.035	10	0	aggregator	AGAERN
Cc1nc2c3ccccc3ccc2n1C	348812	342934748	/nfs/dbraw/zinc/93/47/48/342934748.db2.gz	ZTEQLQJAYZVHMO-UHFFFAOYSA-N	0	0	196.253	3.035	10	0		AGAERN
CC1(C)CC(=O)c2ccc(Cl)cc21	345232	342934761	/nfs/dbraw/zinc/93/47/61/342934761.db2.gz	WUPLKSRLXYKEMF-UHFFFAOYSA-N	0	0	194.661	3.204	10	0		AGAERN
CC1=Nc2ccccc2OC(C)(C)C1	1005024	342942859	/nfs/dbraw/zinc/94/28/59/342942859.db2.gz	SPRBXTUVZDFFBM-UHFFFAOYSA-N	0	0	189.258	3.340	10	0		AGAERN
C[C@H]1SC(=O)Nc2ccccc21	977967	342942869	/nfs/dbraw/zinc/94/28/69/342942869.db2.gz	MDXNDBMXTAJDKA-ZCFIWIBFSA-N	0	0	179.244	3.026	10	0		AGAERN
CC12CCC(C(C)(C)O)(CC1)CC2	1045404	342943060	/nfs/dbraw/zinc/94/30/60/342943060.db2.gz	FKBLUVDOHCWWBL-UHFFFAOYSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1c(C)c(C)c([C@@H](C)O)c(C)c1C	1045577	342943250	/nfs/dbraw/zinc/94/32/50/342943250.db2.gz	FICNOOCJMAQERS-GFCCVEGCSA-N	0	0	192.302	3.282	10	0		AGAERN
Cc1cc2c(cc1C)CSC2	1039288	342943265	/nfs/dbraw/zinc/94/32/65/342943265.db2.gz	KSIXCOFWYUTCLR-UHFFFAOYSA-N	0	0	164.273	3.050	10	0		AGAERN
Cc1c(C)c(C)c([C@H](C)O)c(C)c1C	1045578	342943321	/nfs/dbraw/zinc/94/33/21/342943321.db2.gz	FICNOOCJMAQERS-LBPRGKRZSA-N	0	0	192.302	3.282	10	0		AGAERN
Cc1ccc(Cl)cc1-n1cccc1	1519702	342946121	/nfs/dbraw/zinc/94/61/21/342946121.db2.gz	UVTYAPDJDAJOJB-UHFFFAOYSA-N	0	0	191.661	3.439	10	0		AGAERN
C[C@H]1CC[C@H](C)[C@@H](C)C1	1561952	342947370	/nfs/dbraw/zinc/94/73/70/342947370.db2.gz	VCJPCEVERINRSG-CIUDSAMLSA-N	0	0	126.243	3.079	10	0		AGAERN
CC(C)[C@H]1CCC(=O)[C@@H](C(C)C)C1	1577410	342948340	/nfs/dbraw/zinc/94/83/40/342948340.db2.gz	MJKJQQXCEJLPEH-WDEREUQCSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)[C@@H]1CCC(=O)[C@@H](C(C)C)C1	1577411	342948354	/nfs/dbraw/zinc/94/83/54/342948354.db2.gz	MJKJQQXCEJLPEH-GHMZBOCLSA-N	0	0	182.307	3.284	10	0		AGAERN
C[C@H]1CC[C@H](C(C)(C)C)C(=O)C1	1577457	342948358	/nfs/dbraw/zinc/94/83/58/342948358.db2.gz	UDBHAWYOTMVZEE-IUCAKERBSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@H]1CC[C@@H](C(C)(C)C)C(=O)C1	1577455	342948437	/nfs/dbraw/zinc/94/84/37/342948437.db2.gz	UDBHAWYOTMVZEE-DTWKUNHWSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)[C@@H]1C[C@H](C(C)C)CCC1=O	1577413	342948439	/nfs/dbraw/zinc/94/84/39/342948439.db2.gz	MJKJQQXCEJLPEH-MNOVXSKESA-N	0	0	182.307	3.284	10	0		AGAERN
CCC(C)(C)[C@@H]1CCCCC1=O	1577477	342948794	/nfs/dbraw/zinc/94/87/94/342948794.db2.gz	HDPFRPKEWXMMQO-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCC(=O)c1csc2ccccc12	1596536	342950268	/nfs/dbraw/zinc/95/02/68/342950268.db2.gz	BDKKZGURYJJGIU-UHFFFAOYSA-N	0	0	190.267	3.494	10	0		AGAERN
CC(C)[C@H](O)c1ccccc1Cl	1597488	342950470	/nfs/dbraw/zinc/95/04/70/342950470.db2.gz	YWJUZEZWCYDUGB-JTQLQIEISA-N	0	0	184.666	3.029	10	0		AGAERN
CCc1ccc(OC(C)C)cc1	1605518	342951653	/nfs/dbraw/zinc/95/16/53/342951653.db2.gz	FPJDOUXXBNMFSX-UHFFFAOYSA-N	0	0	164.248	3.036	10	0		AGAERN
Cc1[nH]c(=S)sc1C(C)C	1671686	342956501	/nfs/dbraw/zinc/95/65/01/342956501.db2.gz	OIZSWWSVVKEVQF-UHFFFAOYSA-N	0	0	173.306	3.238	10	0		AGAERN
C[C@H]1CCCC[C@@]1(O)c1ccccc1	1695195	342959645	/nfs/dbraw/zinc/95/96/45/342959645.db2.gz	SMWRMTHIQDFNPL-AAEUAGOBSA-N	0	0	190.286	3.084	10	0		AGAERN
CCCCSC1CCCC1	1725615	342962832	/nfs/dbraw/zinc/96/28/32/342962832.db2.gz	DALIGXBOEDZLRG-UHFFFAOYSA-N	0	0	158.310	3.462	10	0		AGAERN
Cc1ccc(Cl)c2c1CCC2	1841368	342964940	/nfs/dbraw/zinc/96/49/40/342964940.db2.gz	NTFHYNQQJUEULI-UHFFFAOYSA-N	0	0	166.651	3.137	10	0		AGAERN
CCCCCC[C@]1(C)OC[C@@H](C)O1	1867019	342965386	/nfs/dbraw/zinc/96/53/86/342965386.db2.gz	JUESEMDRRNKFPQ-GHMZBOCLSA-N	0	0	186.295	3.108	10	0		AGAERN
CCCCCC[C@@]1(C)OC[C@@H](C)O1	1867018	342965500	/nfs/dbraw/zinc/96/55/00/342965500.db2.gz	JUESEMDRRNKFPQ-MNOVXSKESA-N	0	0	186.295	3.108	10	0		AGAERN
CCCCCC[C@@]1(C)OC[C@H](C)O1	1867020	342965653	/nfs/dbraw/zinc/96/56/53/342965653.db2.gz	JUESEMDRRNKFPQ-QWRGUYRKSA-N	0	0	186.295	3.108	10	0		AGAERN
Cc1cc(O)c(C(C)(C)C)cc1C	1995309	342965919	/nfs/dbraw/zinc/96/59/19/342965919.db2.gz	GDGFDAKCWRGGHW-UHFFFAOYSA-N	0	0	178.275	3.307	10	0		AGAERN
CCc1ccc2ccsc2c1	2003223	342966132	/nfs/dbraw/zinc/96/61/32/342966132.db2.gz	XPDFLCCDJKRYRT-UHFFFAOYSA-N	0	0	162.257	3.464	10	0		AGAERN
c1ccc2c(c1)CNc1ccccc1N2	2010727	342966507	/nfs/dbraw/zinc/96/65/07/342966507.db2.gz	OMGNOSZSCQGCGV-UHFFFAOYSA-N	0	0	196.253	3.356	10	0		AGAERN
Cc1cc(C)c2c(c1)[C@@H](O)CC[C@@H]2C	2010671	342966520	/nfs/dbraw/zinc/96/65/20/342966520.db2.gz	QYUOLMFNLBRSKY-CABZTGNLSA-N	0	0	190.286	3.234	10	0		AGAERN
Cc1cc(C)c2c(c1)[C@@H](O)CC[C@H]2C	2010670	342966522	/nfs/dbraw/zinc/96/65/22/342966522.db2.gz	QYUOLMFNLBRSKY-SKDRFNHKSA-N	0	0	190.286	3.234	10	0		AGAERN
Cc1cc2ccoc2cc1C	2013338	342966531	/nfs/dbraw/zinc/96/65/31/342966531.db2.gz	WPTWOMTZGUIVFZ-UHFFFAOYSA-N	0	0	146.189	3.050	10	0		AGAERN
C=C(C)/C=C/C=C(\C)CC	2011449	342966535	/nfs/dbraw/zinc/96/65/35/342966535.db2.gz	NVQRIRLJPCDULK-LQPGMRSMSA-N	0	0	136.238	3.475	10	0		AGAERN
CCCCC(=O)[C@@H]1Cc2ccccc21	2029833	342967564	/nfs/dbraw/zinc/96/75/64/342967564.db2.gz	XCLXRGHHJAIZOY-GFCCVEGCSA-N	0	0	188.270	3.086	10	0		AGAERN
Cc1ccc(C)c(C(=O)/C=C/Cl)c1	2032845	342967668	/nfs/dbraw/zinc/96/76/68/342967668.db2.gz	XGRXFPLTRWEIKB-AATRIKPKSA-N	0	0	194.661	3.239	10	0		AGAERN
Cc1ccc(CC(C)C)cc1	2037391	342968293	/nfs/dbraw/zinc/96/82/93/342968293.db2.gz	VCGBZXLLPCGFQM-UHFFFAOYSA-N	0	0	148.249	3.194	10	0		AGAERN
CCC(C)(C)[C@H]1CCCCC1=O	2046355	342969204	/nfs/dbraw/zinc/96/92/04/342969204.db2.gz	HDPFRPKEWXMMQO-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H](C)CCCCC[C@@H](C)O	2090796	342969476	/nfs/dbraw/zinc/96/94/76/342969476.db2.gz	QXDCUXPLCGLNNP-GHMZBOCLSA-N	0	0	172.312	3.364	10	0		AGAERN
CC[C@@H](C)CCCCC[C@H](C)O	2090799	342969516	/nfs/dbraw/zinc/96/95/16/342969516.db2.gz	QXDCUXPLCGLNNP-MNOVXSKESA-N	0	0	172.312	3.364	10	0		AGAERN
CC1=CC[C@@H](CC[C@H](C)CO)C1(C)C	2090921	342969570	/nfs/dbraw/zinc/96/95/70/342969570.db2.gz	CYVGAJHMMVDTDZ-CMPLNLGQSA-N	0	0	196.334	3.387	10	0		AGAERN
CC[C@H](C)CCCCC[C@@H](C)O	2090797	342969600	/nfs/dbraw/zinc/96/96/00/342969600.db2.gz	QXDCUXPLCGLNNP-WDEREUQCSA-N	0	0	172.312	3.364	10	0		AGAERN
CC1=CC[C@H](CC[C@@H](C)CO)C1(C)C	2090920	342969715	/nfs/dbraw/zinc/96/97/15/342969715.db2.gz	CYVGAJHMMVDTDZ-PWSUYJOCSA-N	0	0	196.334	3.387	10	0		AGAERN
CC[C@H](C)CCCCC[C@H](C)O	2090800	342969729	/nfs/dbraw/zinc/96/97/29/342969729.db2.gz	QXDCUXPLCGLNNP-QWRGUYRKSA-N	0	0	172.312	3.364	10	0		AGAERN
CC1=CC[C@H](CC[C@H](C)CO)C1(C)C	2090923	342969810	/nfs/dbraw/zinc/96/98/10/342969810.db2.gz	CYVGAJHMMVDTDZ-JQWIXIFHSA-N	0	0	196.334	3.387	10	0		AGAERN
CC(C)Oc1ccccc1OC(C)C	2504536	342972633	/nfs/dbraw/zinc/97/26/33/342972633.db2.gz	APNUQVKSJLIAPO-UHFFFAOYSA-N	0	0	194.274	3.261	10	0		AGAERN
CC[C@H]1CCC[C@@H]1CC	2507841	342972780	/nfs/dbraw/zinc/97/27/80/342972780.db2.gz	JKMYLSLBFNMSFP-IUCAKERBSA-N	0	0	126.243	3.223	10	0		AGAERN
Cc1c(F)ccc2ccccc12	2511006	342973218	/nfs/dbraw/zinc/97/32/18/342973218.db2.gz	JEAFTYNSKBPJOT-UHFFFAOYSA-N	0	0	160.191	3.287	10	0		AGAERN
Cc1ccnc(-c2cscc2C)c1	2514008	342973648	/nfs/dbraw/zinc/97/36/48/342973648.db2.gz	MJYVCLKXUHINEB-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
Cc1cccc(-c2cscc2C)n1	2513987	342973866	/nfs/dbraw/zinc/97/38/66/342973866.db2.gz	ZINSZGYLHHSRCU-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
CCCC[C@@H](CC)[C@H](O)CCC	2528297	342974751	/nfs/dbraw/zinc/97/47/51/342974751.db2.gz	UWOWBSBTVUWTFJ-GHMZBOCLSA-N	0	0	172.312	3.364	10	0		AGAERN
CCCC[C@H]1C[C@H]2C=C[C@@H]1C2	2534458	342975041	/nfs/dbraw/zinc/97/50/41/342975041.db2.gz	YSWATWCBYRBYBO-OUAUKWLOSA-N	0	0	150.265	3.389	10	0		AGAERN
CCCC[C@H]1O[C@@H](C)CC(C)(C)O1	2534705	342975211	/nfs/dbraw/zinc/97/52/11/342975211.db2.gz	QUBNQDBPPTZYJL-UWVGGRQHSA-N	0	0	186.295	3.107	10	0		AGAERN
CCCC/C=C/C(C)C	2564101	342977316	/nfs/dbraw/zinc/97/73/16/342977316.db2.gz	RXYSIDRRVRTDIF-BQYQJAHWSA-N	0	0	126.243	3.389	10	0		AGAERN
CCCCCC[C@H](C)C(C)=O	2564111	342977361	/nfs/dbraw/zinc/97/73/61/342977361.db2.gz	BMLJPODSPMQJKF-VIFPVBQESA-N	0	0	156.269	3.182	10	0		AGAERN
C=CCOC(=O)/C=C/CCCCCC	2564114	342977399	/nfs/dbraw/zinc/97/73/99/342977399.db2.gz	RZXMCBFZDGBTPE-MDZDMXLPSA-N	0	0	196.290	3.242	10	0		AGAERN
Cc1cccc(OC(C)(C)C)c1	2576145	342978368	/nfs/dbraw/zinc/97/83/68/342978368.db2.gz	XPILIICSUJKOEA-UHFFFAOYSA-N	0	0	164.248	3.172	10	0		AGAERN
CCc1ccc(CC)c(C)c1	2600008	342979305	/nfs/dbraw/zinc/97/93/05/342979305.db2.gz	ZEHGGUIGEDITMM-UHFFFAOYSA-N	0	0	148.249	3.120	10	0	biogenic,in-vitro	AGAERN
c1ccc2cc3c(cc2c1)CCC3	2600026	342979611	/nfs/dbraw/zinc/97/96/11/342979611.db2.gz	VEWAWZXAARZEAN-UHFFFAOYSA-N	0	0	168.239	3.329	10	0		AGAERN
CC1CCC(n2cccc2)CC1	2638142	342979647	/nfs/dbraw/zinc/97/96/47/342979647.db2.gz	KXYVVUQWOPPZBW-UHFFFAOYSA-N	0	0	163.264	3.239	10	0		AGAERN
CCc1cc2ccccc2s1	3163035	342981507	/nfs/dbraw/zinc/98/15/07/342981507.db2.gz	JAABUGUCYZQMID-UHFFFAOYSA-N	0	0	162.257	3.464	10	0	in-vitro	AGAERN
CCc1cccc(C(C)(C)C)c1O	3630765	342982844	/nfs/dbraw/zinc/98/28/44/342982844.db2.gz	APIQWHVRWQYLFW-UHFFFAOYSA-N	0	0	178.275	3.252	10	0		AGAERN
C=C/C=C/C=C/CCCC	3630782	342982866	/nfs/dbraw/zinc/98/28/66/342982866.db2.gz	ADTDLWOIUYJQNC-GLVZAGOZSA-N	0	0	136.238	3.475	10	0		AGAERN
CCc1cc(Cl)cc(Cl)c1O	3613960	342982871	/nfs/dbraw/zinc/98/28/71/342982871.db2.gz	SLZAAZXYSOSHPM-UHFFFAOYSA-N	0	0	191.057	3.261	10	0		AGAERN
CCCCO[P@]1(=O)CC=C(C)C1	3642636	342983139	/nfs/dbraw/zinc/98/31/39/342983139.db2.gz	DALGQXVMOLPXBN-GFCCVEGCSA-N	0	0	188.207	3.041	10	0		AGAERN
CCCCO[P@@]1(=O)CC=C(C)C1	3642635	342983221	/nfs/dbraw/zinc/98/32/21/342983221.db2.gz	DALGQXVMOLPXBN-LBPRGKRZSA-N	0	0	188.207	3.041	10	0		AGAERN
CCCCC[C@@H](O)Cc1ccccc1	4071850	342987254	/nfs/dbraw/zinc/98/72/54/342987254.db2.gz	MHRHALZNAHULKK-CYBMUJFWSA-N	0	0	192.302	3.170	10	0		AGAERN
Cc1ccc2c(c1)[C@@H](O)c1ccccc1-2	4155916	342987862	/nfs/dbraw/zinc/98/78/62/342987862.db2.gz	FLSCNKZTWYNPON-AWEZNQCLSA-N	0	0	196.249	3.057	10	0		AGAERN
Cc1ccc2c(c1)[C@H](O)c1ccccc1-2	4155914	342988081	/nfs/dbraw/zinc/98/80/81/342988081.db2.gz	FLSCNKZTWYNPON-CQSZACIVSA-N	0	0	196.249	3.057	10	0		AGAERN
C[C@@]12CCCC[C@@]1(C)C[C@H](O)CC2	4368165	342991284	/nfs/dbraw/zinc/99/12/84/342991284.db2.gz	NXWAXVAXXKVIHD-WOPDTQHZSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@@]12CCCC[C@]1(C)CC[C@@H](O)C2	4368166	342991400	/nfs/dbraw/zinc/99/14/00/342991400.db2.gz	NXWAXVAXXKVIHD-UTUOFQBUSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(C)=C(C)CC/C(C)=C/CO	5158128	342999039	/nfs/dbraw/zinc/99/90/39/342999039.db2.gz	JEKZWFRYLQPVTR-JXMROGBWSA-N	0	0	168.280	3.062	10	0		AGAERN
C[C@@H]1CCCCN1c1ccccc1	5141598	342999146	/nfs/dbraw/zinc/99/91/46/342999146.db2.gz	BBNBOKJANATNAE-LLVKDONJSA-N	0	0	175.275	3.065	10	0		AGAERN
CCCCCC[C@@H]1CCCO1	5297699	343000779	/nfs/dbraw/zinc/00/07/79/343000779.db2.gz	PFCMQIWQXUAYPK-SNVBAGLBSA-N	0	0	156.269	3.136	10	0		AGAERN
CN1C[C@@H]2CCC[C@@H]2c2ccccc21	5328894	343001010	/nfs/dbraw/zinc/00/10/10/343001010.db2.gz	QRCGFNIMQFGZRW-QWRGUYRKSA-N	0	0	187.286	3.020	10	0		AGAERN
CCOC(=N)c1ccc(C)c(Cl)c1	5315118	343001125	/nfs/dbraw/zinc/00/11/25/343001125.db2.gz	MGATZRKTBRQFHT-UHFFFAOYSA-N	0	0	197.665	3.010	10	0		AGAERN
Cc1cc2nccc(C)c2cc1C	5331150	343001142	/nfs/dbraw/zinc/00/11/42/343001142.db2.gz	GNHAJBXSCSHRCE-UHFFFAOYSA-N	0	0	171.243	3.160	10	0		AGAERN
CCCC(=O)c1cc(F)c(F)cc1C	5501748	343003852	/nfs/dbraw/zinc/00/38/52/343003852.db2.gz	ISZTWULBXCOOQJ-UHFFFAOYSA-N	0	0	198.212	3.256	10	0		AGAERN
Cc1cc(O)ccc1Cc1ccccc1	5540326	343004751	/nfs/dbraw/zinc/00/47/51/343004751.db2.gz	JEVXSIZPUPMGGA-UHFFFAOYSA-N	0	0	198.265	3.291	10	0		AGAERN
C[C@H](c1ccccc1)c1ccc(N)cc1	5551405	343005039	/nfs/dbraw/zinc/00/50/39/343005039.db2.gz	VZJQSNPTVCQCLZ-LLVKDONJSA-N	0	0	197.281	3.421	10	0		AGAERN
CCCCc1ccc(C)cc1O	5647514	343005862	/nfs/dbraw/zinc/00/58/62/343005862.db2.gz	BHIIOLWIZLICII-UHFFFAOYSA-N	0	0	164.248	3.043	10	0		AGAERN
Cc1cc[nH]c1-c1cccs1	5681176	343006673	/nfs/dbraw/zinc/00/66/73/343006673.db2.gz	FWVSGNYTFSJRKQ-UHFFFAOYSA-N	0	0	163.245	3.052	10	0		AGAERN
Cc1ncc(C)c2c1[nH]c1ccccc12	5730243	343007016	/nfs/dbraw/zinc/00/70/16/343007016.db2.gz	FUBJJUYKQOLYAS-UHFFFAOYSA-N	0	0	196.253	3.333	10	0	biogenic	AGAERN
CC(C)[C@H](CO)c1ccc(Cl)cc1	5733475	343007192	/nfs/dbraw/zinc/00/71/92/343007192.db2.gz	MZYGDCHJNAZTMC-NSHDSACASA-N	0	0	198.693	3.072	10	0		AGAERN
CC1(C)CCC[C@@]2(C)C1=CCC[C@@H]2O	5727730	343007212	/nfs/dbraw/zinc/00/72/12/343007212.db2.gz	FMNLWEPCCWGWST-AAEUAGOBSA-N	0	0	194.318	3.284	10	0		AGAERN
CC(C)[C@@H](O)c1ccccc1Cl	5733500	343007286	/nfs/dbraw/zinc/00/72/86/343007286.db2.gz	YWJUZEZWCYDUGB-SNVBAGLBSA-N	0	0	184.666	3.029	10	0		AGAERN
CC1(C)CCC=C2C[C@@](C)(O)CC[C@H]21	5762204	343007830	/nfs/dbraw/zinc/00/78/30/343007830.db2.gz	GPVOTKFXWGURGP-YPMHNXCESA-N	0	0	194.318	3.284	10	0		AGAERN
CC1(C)CCC=C2C[C@](C)(O)CC[C@@H]21	5762200	343007891	/nfs/dbraw/zinc/00/78/91/343007891.db2.gz	GPVOTKFXWGURGP-WCQYABFASA-N	0	0	194.318	3.284	10	0		AGAERN
CC12CCC(CC1)C(C)(C)S2	5762036	343008028	/nfs/dbraw/zinc/00/80/28/343008028.db2.gz	NUVDNPOZQMQNKE-UHFFFAOYSA-N	0	0	170.321	3.461	10	0		AGAERN
CC1(C)CCC=C2C[C@](C)(O)CC[C@H]21	5762203	343008059	/nfs/dbraw/zinc/00/80/59/343008059.db2.gz	GPVOTKFXWGURGP-DGCLKSJQSA-N	0	0	194.318	3.284	10	0		AGAERN
CC/C(C)=C/CC/C(C)=C/CO	5761772	343008081	/nfs/dbraw/zinc/00/80/81/343008081.db2.gz	ZEUWCZMRCKECEG-NSJFVGFPSA-N	0	0	168.280	3.062	10	0		AGAERN
CC1=CC[C@H](C/C=C(/C)CO)C1(C)C	5767088	343008184	/nfs/dbraw/zinc/00/81/84/343008184.db2.gz	MTVBNJVZZAQKRV-JSJZCHLLSA-N	0	0	194.318	3.308	10	0		AGAERN
Cc1ccc(C(C)C)c(O)c1Cl	5781225	343008202	/nfs/dbraw/zinc/00/82/02/343008202.db2.gz	ZBELFWZTAZVRLL-UHFFFAOYSA-N	0	0	184.666	3.477	10	0		AGAERN
CC1=C[C@@H](c2ccccc2)OCC1	5767612	343008259	/nfs/dbraw/zinc/00/82/59/343008259.db2.gz	YXKYECZAOSJDGP-LBPRGKRZSA-N	0	0	174.243	3.094	10	0		AGAERN
CC1=CC[C@@H]2C[C@H]1SC2(C)C	5767174	343008266	/nfs/dbraw/zinc/00/82/66/343008266.db2.gz	ODZMYNHWVMNAFY-RKDXNWHRSA-N	0	0	168.305	3.237	10	0		AGAERN
CC1=CC[C@@H](C/C=C(/C)CO)C1(C)C	5767234	343008292	/nfs/dbraw/zinc/00/82/92/343008292.db2.gz	MTVBNJVZZAQKRV-DUWGPSABSA-N	0	0	194.318	3.308	10	0		AGAERN
Cc1ccc(C)c2occc12	5781270	343008380	/nfs/dbraw/zinc/00/83/80/343008380.db2.gz	PFXVPEGRXODMIQ-UHFFFAOYSA-N	0	0	146.189	3.050	10	0	biogenic,in-man	AGAERN
CC1=CC[C@H](C/C=C(\C)CO)C1(C)C	5767091	343008401	/nfs/dbraw/zinc/00/84/01/343008401.db2.gz	MTVBNJVZZAQKRV-DJTWPOEFSA-N	0	0	194.318	3.308	10	0		AGAERN
CC1=CCO[C@@H](c2ccccc2)C1	5767061	343008405	/nfs/dbraw/zinc/00/84/05/343008405.db2.gz	SWOPLXXJAVYFPY-GFCCVEGCSA-N	0	0	174.243	3.094	10	0		AGAERN
CC1=C[C@H](c2ccccc2)OCC1	5767376	343008418	/nfs/dbraw/zinc/00/84/18/343008418.db2.gz	YXKYECZAOSJDGP-GFCCVEGCSA-N	0	0	174.243	3.094	10	0		AGAERN
CCCC[C@H]1C=C(C)C[C@H](C)O1	5822222	343008764	/nfs/dbraw/zinc/00/87/64/343008764.db2.gz	OSMLMQQJZVENMX-QWRGUYRKSA-N	0	0	168.280	3.300	10	0		AGAERN
CCCC[C@H]1C=C(C)C[C@@H](C)O1	5822223	343008800	/nfs/dbraw/zinc/00/88/00/343008800.db2.gz	OSMLMQQJZVENMX-MNOVXSKESA-N	0	0	168.280	3.300	10	0		AGAERN
CCCC[C@@H]1O[C@@H](C)CC(C)(C)O1	5821938	343008846	/nfs/dbraw/zinc/00/88/46/343008846.db2.gz	QUBNQDBPPTZYJL-VHSXEESVSA-N	0	0	186.295	3.107	10	0		AGAERN
CCCC[C@@H]1C=C(C)C[C@@H](C)O1	5821907	343008852	/nfs/dbraw/zinc/00/88/52/343008852.db2.gz	OSMLMQQJZVENMX-GHMZBOCLSA-N	0	0	168.280	3.300	10	0		AGAERN
CCCC[C@@H]1O[C@H](C)CC(C)(C)O1	5821937	343008868	/nfs/dbraw/zinc/00/88/68/343008868.db2.gz	QUBNQDBPPTZYJL-NXEZZACHSA-N	0	0	186.295	3.107	10	0		AGAERN
CC[C@@H](C)COCc1ccccc1	5922195	343009688	/nfs/dbraw/zinc/00/96/88/343009688.db2.gz	YOANEDOLERYMCY-LLVKDONJSA-N	0	0	178.275	3.249	10	0		AGAERN
CC[C@H](C)COCc1ccccc1	5924809	343009951	/nfs/dbraw/zinc/00/99/51/343009951.db2.gz	YOANEDOLERYMCY-NSHDSACASA-N	0	0	178.275	3.249	10	0		AGAERN
CC[C@H](C)SC(=O)CC(C)C	5925186	343010044	/nfs/dbraw/zinc/01/00/44/343010044.db2.gz	MQAVHZCNCJTJJP-QMMMGPOBSA-N	0	0	174.309	3.091	10	0		AGAERN
CCc1c(Cl)ccc(O)c1Cl	5956055	343010216	/nfs/dbraw/zinc/01/02/16/343010216.db2.gz	DEHWRJWKQDWKDP-UHFFFAOYSA-N	0	0	191.057	3.261	10	0		AGAERN
CCc1nccc2c1[nH]c1ccccc12	5956084	343010386	/nfs/dbraw/zinc/01/03/86/343010386.db2.gz	YTQRHYCHEIXUIU-UHFFFAOYSA-N	0	0	196.253	3.279	10	0		AGAERN
CCc1cccc2c(C)c(C)[nH]c12	5956720	343010512	/nfs/dbraw/zinc/01/05/12/343010512.db2.gz	LLEKOBMUOOLVPZ-UHFFFAOYSA-N	0	0	173.259	3.347	10	0		AGAERN
CCc1ccc(C(C)=O)c(CC)c1	5956301	343010533	/nfs/dbraw/zinc/01/05/33/343010533.db2.gz	DAMITWKYTRCTAO-UHFFFAOYSA-N	0	0	176.259	3.014	10	0		AGAERN
CC1=C[C@@H](c2ccccc2)O[C@@H](C)C1	6037342	343011489	/nfs/dbraw/zinc/01/14/89/343011489.db2.gz	KJAJQPSBQHSPCZ-AAEUAGOBSA-N	0	0	188.270	3.483	10	0		AGAERN
CC1(C)CCC[C@]2(C)[C@@H](O)C=CC[C@@H]12	6050236	343011914	/nfs/dbraw/zinc/01/19/14/343011914.db2.gz	HWADAVOOYLUVSY-GVXVVHGQSA-N	0	0	194.318	3.140	10	0		AGAERN
Cc1cc(C)c(OC(C)C)c(C)c1	6069706	343012433	/nfs/dbraw/zinc/01/24/33/343012433.db2.gz	MXDPTGJZVQFULC-UHFFFAOYSA-N	0	0	178.275	3.399	10	0		AGAERN
c1ccc2c(c1)COc1ccccc1-2	6116900	343012722	/nfs/dbraw/zinc/01/27/22/343012722.db2.gz	BEUDCHGZCTUAOG-UHFFFAOYSA-N	0	0	182.222	3.246	10	0		AGAERN
Cc1cccc2cc(C=O)sc12	6071836	343012765	/nfs/dbraw/zinc/01/27/65/343012765.db2.gz	MLLVSGDRQOXPNS-UHFFFAOYSA-N	0	0	176.240	3.022	10	0		AGAERN
CC1=Nc2c(C)cccc2C1(C)C	6504543	343015009	/nfs/dbraw/zinc/01/50/09/343015009.db2.gz	HFMNZHUUXLAXEG-UHFFFAOYSA-N	0	0	173.259	3.379	10	0		AGAERN
CC(=O)Nc1cc(C)ccc1C(C)C	6522325	343015102	/nfs/dbraw/zinc/01/51/02/343015102.db2.gz	JEICGIPABLGYOV-UHFFFAOYSA-N	0	0	191.274	3.077	10	0		AGAERN
CC[C@@H]1CCC[C@@]1(O)c1ccccc1	7074091	343017299	/nfs/dbraw/zinc/01/72/99/343017299.db2.gz	DIVGXFIVLYBUCF-YPMHNXCESA-N	0	0	190.286	3.084	10	0		AGAERN
CC[C@H]1CCC[C@]1(O)c1ccccc1	8079336	343017700	/nfs/dbraw/zinc/01/77/00/343017700.db2.gz	DIVGXFIVLYBUCF-WCQYABFASA-N	0	0	190.286	3.084	10	0		AGAERN
CC(C)c1ccc(C(C)C)[nH]1	11804091	343024986	/nfs/dbraw/zinc/02/49/86/343024986.db2.gz	PVEUVUMVYFGUGB-UHFFFAOYSA-N	0	0	151.253	3.262	10	0		AGAERN
Cc1cc2cc(C(F)(F)F)ccc2[nH]1	12957982	343032406	/nfs/dbraw/zinc/03/24/06/343032406.db2.gz	MTUSRFDITXAKJA-UHFFFAOYSA-N	0	0	199.175	3.495	10	0		AGAERN
CC(C)Cc1ccnc2ccccc12	13232493	343033776	/nfs/dbraw/zinc/03/37/76/343033776.db2.gz	ZFIHCQGXRHANID-UHFFFAOYSA-N	0	0	185.270	3.433	10	0		AGAERN
CC/C=C/c1ccc(OC)c(OC)c1	13380191	343034678	/nfs/dbraw/zinc/03/46/78/343034678.db2.gz	BONZIDALUXBFRW-AATRIKPKSA-N	0	0	192.258	3.127	10	0		AGAERN
Cc1ccc(N2C3CCC2CC3)cc1	13474765	343035200	/nfs/dbraw/zinc/03/52/00/343035200.db2.gz	YSWCUQHNXBLYKL-UHFFFAOYSA-N	0	0	187.286	3.126	10	0		AGAERN
CCCCCCc1ccc(CO)cc1	13527078	343035778	/nfs/dbraw/zinc/03/57/78/343035778.db2.gz	YUQUKICJPWOXTB-UHFFFAOYSA-N	0	0	192.302	3.302	10	0		AGAERN
Cc1ccsc1-c1cccnc1	13607069	343036674	/nfs/dbraw/zinc/03/66/74/343036674.db2.gz	JIOQSJVEVFADJG-UHFFFAOYSA-N	0	0	175.256	3.119	10	0	in-vivo	AGAERN
O=C1CCCCCCC/C=C/CCO1	14449163	343038777	/nfs/dbraw/zinc/03/87/77/343038777.db2.gz	FZKPUQQWULXMCD-FNORWQNLSA-N	0	0	196.290	3.220	10	0	endogenous,in-man	AGAERN
CCC[C@H](C)[C@H]1OC(=O)[C@@H](C)C[C@@H]1C	14556323	343039061	/nfs/dbraw/zinc/03/90/61/343039061.db2.gz	AZBHSLUQWMFDHU-XWLWVQCSSA-N	0	0	198.306	3.010	10	0		AGAERN
CCOC(=O)CCCC[C@@H](C)CC	14592598	343039417	/nfs/dbraw/zinc/03/94/17/343039417.db2.gz	FTTIYXHYLISDKF-JTQLQIEISA-N	0	0	186.295	3.156	10	0		AGAERN
Cc1ccc2c(c1)C(=O)CC[C@@H]2C	14823208	343040097	/nfs/dbraw/zinc/04/00/97/343040097.db2.gz	SQESYXTWWGWCFK-VIFPVBQESA-N	0	0	174.243	3.075	10	0	endogenous,in-man	AGAERN
CCC[C@H](C)C[C@@H](C)C[C@@H](C)CO	14822680	343040122	/nfs/dbraw/zinc/04/01/22/343040122.db2.gz	KBNJXYZUBZXXHR-QJPTWQEYSA-N	0	0	186.339	3.467	10	0		AGAERN
CCCCC/C=C\CCC(C)=O	14825673	343040190	/nfs/dbraw/zinc/04/01/90/343040190.db2.gz	GAZJVINYNDPROS-FPLPWBNLSA-N	0	0	168.280	3.492	10	0		AGAERN
Cc1cc(=S)c2cc(F)ccc2[nH]1	14807665	343040191	/nfs/dbraw/zinc/04/01/91/343040191.db2.gz	HNUQYNFQEIIAMJ-UHFFFAOYSA-N	0	0	193.246	3.345	10	0		AGAERN
Cc1c[nH]nc1-c1cccc(Cl)c1	14807623	343040208	/nfs/dbraw/zinc/04/02/08/343040208.db2.gz	LPUJYPBDIQYSQY-UHFFFAOYSA-N	0	0	192.649	3.039	10	0		AGAERN
CCC[C@H](C)C[C@H](C)C[C@@H](C)CO	14822684	343040253	/nfs/dbraw/zinc/04/02/53/343040253.db2.gz	KBNJXYZUBZXXHR-SDDRHHMPSA-N	0	0	186.339	3.467	10	0		AGAERN
C=C/C=C(\C)CC[C@@H]1OC1(C)C	15120240	343041551	/nfs/dbraw/zinc/04/15/51/343041551.db2.gz	DOLAGBYJHIWHJT-ZKXNXJMVSA-N	0	0	166.264	3.076	10	0		AGAERN
CCCCC/C=C/C/C=C/CCO	15146068	343041890	/nfs/dbraw/zinc/04/18/90/343041890.db2.gz	WVTVMLXNKUWGBH-AVQMFFATSA-N	0	0	182.307	3.452	10	0	endogenous,in-man	AGAERN
CCCCC/C(C)=C\C(=O)OCC	16892941	343044538	/nfs/dbraw/zinc/04/45/38/343044538.db2.gz	HOPWWZLAYCOLHH-KTKRTIGZSA-N	0	0	184.279	3.076	10	0		AGAERN
CC1=C(C(C)C)Nc2ccccc2N1	16887797	343044820	/nfs/dbraw/zinc/04/48/20/343044820.db2.gz	SSFANURZXOODRR-UHFFFAOYSA-N	0	0	188.274	3.412	10	0		AGAERN
Cc1ccccc1-c1ccco1	16946810	343045048	/nfs/dbraw/zinc/04/50/48/343045048.db2.gz	CPLNTOZJQCBQOW-UHFFFAOYSA-N	0	0	158.200	3.255	10	0		AGAERN
CC(C)(C)COCC(C)(C)C	17401660	343046949	/nfs/dbraw/zinc/04/69/49/343046949.db2.gz	CHHASAIQKXOAOX-UHFFFAOYSA-N	0	0	158.285	3.095	10	0		AGAERN
CC(C)c1ccc2oc(C=O)cc2c1	20389994	343072904	/nfs/dbraw/zinc/07/29/04/343072904.db2.gz	MNWTYFBAXFDYCL-UHFFFAOYSA-N	0	0	188.226	3.369	10	0		AGAERN
CC(C)[C@@H](C)Nc1ccc(Cl)cn1	20523568	343074164	/nfs/dbraw/zinc/07/41/64/343074164.db2.gz	WKHARCLBWGXEEP-MRVPVSSYSA-N	0	0	198.697	3.191	10	0		AGAERN
c1ccc2nc(NCC3CC3)ccc2c1	20555287	343074237	/nfs/dbraw/zinc/07/42/37/343074237.db2.gz	QEZZNKJKUGSLBX-UHFFFAOYSA-N	0	0	198.269	3.057	10	0		AGAERN
CC(C)[C@H](C)Nc1ccc(Cl)cn1	20523569	343074309	/nfs/dbraw/zinc/07/43/09/343074309.db2.gz	WKHARCLBWGXEEP-QMMMGPOBSA-N	0	0	198.697	3.191	10	0		AGAERN
Cc1ccccc1Nc1ccccc1N	20585819	343074331	/nfs/dbraw/zinc/07/43/31/343074331.db2.gz	CYKLTULAUWZNIU-UHFFFAOYSA-N	0	0	198.269	3.321	10	0		AGAERN
Cc1cccc2c3c([nH]c12)CCCC3	21304584	343075148	/nfs/dbraw/zinc/07/51/48/343075148.db2.gz	YSOBXTJUYFKXDF-UHFFFAOYSA-N	0	0	185.270	3.355	10	0		AGAERN
Cc1cc(N)ccc1-c1cccs1	21950839	343076236	/nfs/dbraw/zinc/07/62/36/343076236.db2.gz	DPHHMJIEKIRKMD-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
CCCCC(=O)c1cccc(C)c1	21994185	343077236	/nfs/dbraw/zinc/07/72/36/343077236.db2.gz	IBUFXWULBFRPGY-UHFFFAOYSA-N	0	0	176.259	3.368	10	0		AGAERN
C[C@H]1CCC[C@H](c2ccccc2)C1=O	21991026	343077303	/nfs/dbraw/zinc/07/73/03/343077303.db2.gz	LAFLVXLMEIBOGU-CMPLNLGQSA-N	0	0	188.270	3.159	10	0		AGAERN
CCCCCc1cccc(OC)c1O	22003308	343077834	/nfs/dbraw/zinc/07/78/34/343077834.db2.gz	OVNBWAHFGNZZKE-UHFFFAOYSA-N	0	0	194.274	3.134	10	0		AGAERN
CC1CCC(Nc2nccs2)CC1	22153459	343079695	/nfs/dbraw/zinc/07/96/95/343079695.db2.gz	MVIWYHPUQJFHAU-UHFFFAOYSA-N	0	0	196.319	3.134	10	0		AGAERN
CCCC/C=C\C(OCC)OCC	25669300	343087171	/nfs/dbraw/zinc/08/71/71/343087171.db2.gz	KRGSSSXWOINHKZ-KTKRTIGZSA-N	0	0	186.295	3.132	10	0		AGAERN
Cc1cc(-c2ccsc2)ccc1N	26544327	343089569	/nfs/dbraw/zinc/08/95/69/343089569.db2.gz	ZRHCJARWINOWEB-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
Cc1ccncc1Oc1ccccc1	27106647	343091350	/nfs/dbraw/zinc/09/13/50/343091350.db2.gz	FERWLTQKKCMCTA-UHFFFAOYSA-N	0	0	185.226	3.182	10	0		AGAERN
Cc1ccc(NCc2ccoc2)cc1	29058496	343092381	/nfs/dbraw/zinc/09/23/81/343092381.db2.gz	MBSFUJSQMBSJGI-UHFFFAOYSA-N	0	0	187.242	3.200	10	0		AGAERN
CCCCC/C=C\C[C@@H]1CCC(=O)O1	31290833	343092780	/nfs/dbraw/zinc/09/27/80/343092780.db2.gz	QFXOXDSHNXAFEY-JMEBYUIHSA-N	0	0	196.290	3.219	10	0	endogenous,in-man	AGAERN
Cc1ccc([C@@H](O)CC(C)C)cc1	32007204	343096009	/nfs/dbraw/zinc/09/60/09/343096009.db2.gz	OHVNXNDTLGLACD-LBPRGKRZSA-N	0	0	178.275	3.075	10	0		AGAERN
Cc1ccc([C@H](O)CC(C)C)cc1	32007202	343096221	/nfs/dbraw/zinc/09/62/21/343096221.db2.gz	OHVNXNDTLGLACD-GFCCVEGCSA-N	0	0	178.275	3.075	10	0		AGAERN
CC[C@H](O)c1ccc2c(c1)CCCC2	32008284	343096452	/nfs/dbraw/zinc/09/64/52/343096452.db2.gz	JQMRFWJILVEUSE-ZDUSSCGKSA-N	0	0	190.286	3.009	10	0		AGAERN
CC[C@@H](O)c1ccc2c(c1)CCCC2	32008283	343096521	/nfs/dbraw/zinc/09/65/21/343096521.db2.gz	JQMRFWJILVEUSE-CYBMUJFWSA-N	0	0	190.286	3.009	10	0		AGAERN
Cc1ccc(C)c([C@H](O)CC(C)C)c1	32008598	343096676	/nfs/dbraw/zinc/09/66/76/343096676.db2.gz	LYEHOJCAEFBHQL-CYBMUJFWSA-N	0	0	192.302	3.383	10	0		AGAERN
Cc1ccc([C@@H](O)CC(C)C)cc1C	32008596	343096737	/nfs/dbraw/zinc/09/67/37/343096737.db2.gz	LVNQHJCGVZOJEX-ZDUSSCGKSA-N	0	0	192.302	3.383	10	0		AGAERN
Cc1ccc(C)c([C@@H](O)CC(C)C)c1	32008599	343096861	/nfs/dbraw/zinc/09/68/61/343096861.db2.gz	LYEHOJCAEFBHQL-ZDUSSCGKSA-N	0	0	192.302	3.383	10	0		AGAERN
Cc1ccc([C@H](O)CC(C)C)cc1C	32008595	343096895	/nfs/dbraw/zinc/09/68/95/343096895.db2.gz	LVNQHJCGVZOJEX-CYBMUJFWSA-N	0	0	192.302	3.383	10	0		AGAERN
CCc1ccc2nc(C)ccc2c1	32099214	343097258	/nfs/dbraw/zinc/09/72/58/343097258.db2.gz	RJDKHMUUFKNIBW-UHFFFAOYSA-N	0	0	171.243	3.106	10	0		AGAERN
CCc1cccc2ccc(C)nc12	32099659	343097689	/nfs/dbraw/zinc/09/76/89/343097689.db2.gz	ZPVSAUSAHRIAQM-UHFFFAOYSA-N	0	0	171.243	3.106	10	0		AGAERN
c1ccc2c(c1)CC1(CCCCC1)O2	32134205	343097740	/nfs/dbraw/zinc/09/77/40/343097740.db2.gz	NBRDIJDCPCLUPB-UHFFFAOYSA-N	0	0	188.270	3.324	10	0		AGAERN
Cc1ccc2ccc(C)c(C)c2n1	32099225	343097824	/nfs/dbraw/zinc/09/78/24/343097824.db2.gz	OQMCEPGEODDVJR-UHFFFAOYSA-N	0	0	171.243	3.160	10	0		AGAERN
CCSC(=S)c1ccccc1	32145664	343098166	/nfs/dbraw/zinc/09/81/66/343098166.db2.gz	IKQMQWBFIXCPID-UHFFFAOYSA-N	0	0	182.313	3.115	10	0		AGAERN
CC[C@H]1C[C@@H](C(C)(C)C)CCC1=O	32152441	343098610	/nfs/dbraw/zinc/09/86/10/343098610.db2.gz	UMEJTHPXAININP-UWVGGRQHSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	32152437	343098631	/nfs/dbraw/zinc/09/86/31/343098631.db2.gz	UMEJTHPXAININP-ZJUUUORDSA-N	0	0	182.307	3.428	10	0		AGAERN
COc1c(C)cccc1C(C)(C)C	32154893	343098641	/nfs/dbraw/zinc/09/86/41/343098641.db2.gz	XLPWABAEWSNQJE-UHFFFAOYSA-N	0	0	178.275	3.301	10	0		AGAERN
CC[C@H]1C[C@H](C(C)(C)C)CCC1=O	32152451	343098744	/nfs/dbraw/zinc/09/87/44/343098744.db2.gz	UMEJTHPXAININP-VHSXEESVSA-N	0	0	182.307	3.428	10	0		AGAERN
CCCS[C@@H](C)C(C)C	32162969	343098882	/nfs/dbraw/zinc/09/88/82/343098882.db2.gz	HMVSZFDLCPRNSL-QMMMGPOBSA-N	0	0	146.299	3.174	10	0		AGAERN
CCCS[C@H](C)C(C)C	32162971	343098892	/nfs/dbraw/zinc/09/88/92/343098892.db2.gz	HMVSZFDLCPRNSL-MRVPVSSYSA-N	0	0	146.299	3.174	10	0		AGAERN
CCCCc1cc(OC)cc(OC)c1	32162456	343099009	/nfs/dbraw/zinc/09/90/09/343099009.db2.gz	JNAVXGYUAXCROD-UHFFFAOYSA-N	0	0	194.274	3.046	10	0		AGAERN
CC(C)CCSCC(C)C	32163053	343099093	/nfs/dbraw/zinc/09/90/93/343099093.db2.gz	FNXOYWCOEKIXHL-UHFFFAOYSA-N	0	0	160.326	3.422	10	0		AGAERN
CC(C)CCCc1cccnc1	32167414	343099256	/nfs/dbraw/zinc/09/92/56/343099256.db2.gz	PURGSRBQHMOXSO-UHFFFAOYSA-N	0	0	163.264	3.060	10	0		AGAERN
CC(C)Sc1ccsc1	32166855	343099383	/nfs/dbraw/zinc/09/93/83/343099383.db2.gz	IUWNGVPRUJILJM-UHFFFAOYSA-N	0	0	158.291	3.249	10	0		AGAERN
CCCCC[C@@H](C)OC(=O)CCC	32167573	343099527	/nfs/dbraw/zinc/09/95/27/343099527.db2.gz	GTKUPJHQSAPWLL-SNVBAGLBSA-N	0	0	186.295	3.299	10	0		AGAERN
C[C@H](CCCN1CC1)C1CCCCC1	32184045	343100181	/nfs/dbraw/zinc/10/01/81/343100181.db2.gz	IFBYFECMTBAGFD-GFCCVEGCSA-N	0	0	195.350	3.299	10	0		AGAERN
CC(C)=Nc1ccc(Cl)cc1	32191758	343100450	/nfs/dbraw/zinc/10/04/50/343100450.db2.gz	OQMZKENYFYVAGX-UHFFFAOYSA-N	0	0	167.639	3.452	10	0		AGAERN
Cc1cc2c(cc1C)[C@H](C)CCC2=O	32212299	343100778	/nfs/dbraw/zinc/10/07/78/343100778.db2.gz	GFZCUMHUNSPIFJ-MRVPVSSYSA-N	0	0	188.270	3.383	10	0		AGAERN
c1ccc([C@@H]2CCCS2)cc1	32203626	343100809	/nfs/dbraw/zinc/10/08/09/343100809.db2.gz	MPVOADXYDASAQE-JTQLQIEISA-N	0	0	164.273	3.255	10	0		AGAERN
CC[C@@H](C)SC1CCCC1	32212805	343100922	/nfs/dbraw/zinc/10/09/22/343100922.db2.gz	GMEXJCHGAMMLEX-MRVPVSSYSA-N	0	0	158.310	3.461	10	0		AGAERN
Cc1cc(C)c2c(c1)C(=O)CC2(C)C	32212259	343100952	/nfs/dbraw/zinc/10/09/52/343100952.db2.gz	UPJMNGPDWQHLKW-UHFFFAOYSA-N	0	0	188.270	3.167	10	0		AGAERN
Cc1cc2c(cc1C)C(C)(C)CC2=O	32212310	343100965	/nfs/dbraw/zinc/10/09/65/343100965.db2.gz	BXABKFVJTUQBMS-UHFFFAOYSA-N	0	0	188.270	3.167	10	0	in-man	AGAERN
CC[C@H](C)SC1CCCC1	32212808	343100980	/nfs/dbraw/zinc/10/09/80/343100980.db2.gz	GMEXJCHGAMMLEX-QMMMGPOBSA-N	0	0	158.310	3.461	10	0		AGAERN
CCc1ccc(-c2ccccc2)nc1	32207974	343101022	/nfs/dbraw/zinc/10/10/22/343101022.db2.gz	DUPKBYOCVLUKEK-UHFFFAOYSA-N	0	0	183.254	3.311	10	0		AGAERN
COc1cc(C)c(SC)c(C)c1	32222070	343101444	/nfs/dbraw/zinc/10/14/44/343101444.db2.gz	BXBMJYKQQYLUDN-UHFFFAOYSA-N	0	0	182.288	3.034	10	0		AGAERN
CC[C@]1(C)CC(=O)CC(C)(C)C1	32227449	343101513	/nfs/dbraw/zinc/10/15/13/343101513.db2.gz	FQCSWWXRWLUNLH-LLVKDONJSA-N	0	0	168.280	3.182	10	0		AGAERN
CCc1cnc(-c2ccccc2)s1	32223801	343101625	/nfs/dbraw/zinc/10/16/25/343101625.db2.gz	QRDONIWIOXKQKB-UHFFFAOYSA-N	0	0	189.283	3.373	10	0		AGAERN
CC[C@@]1(C)CC(=O)CC(C)(C)C1	32227447	343101725	/nfs/dbraw/zinc/10/17/25/343101725.db2.gz	FQCSWWXRWLUNLH-NSHDSACASA-N	0	0	168.280	3.182	10	0		AGAERN
CCCCc1cc(OC)ccc1OC	32232924	343101790	/nfs/dbraw/zinc/10/17/90/343101790.db2.gz	GBLAXSRFHYXFSF-UHFFFAOYSA-N	0	0	194.274	3.046	10	0	in-vitro	AGAERN
CC(C)Oc1ccc2ncsc2c1	32299107	343102001	/nfs/dbraw/zinc/10/20/01/343102001.db2.gz	FBHNIPNVWVVTGL-UHFFFAOYSA-N	0	0	193.271	3.084	10	0		AGAERN
Cc1c(O)ccc(Cl)c1Cl	32301937	343102123	/nfs/dbraw/zinc/10/21/23/343102123.db2.gz	SZPWGEZWBLCYCZ-UHFFFAOYSA-N	0	0	177.030	3.007	10	0		AGAERN
c1coc(Sc2ccco2)c1	32302469	343102375	/nfs/dbraw/zinc/10/23/75/343102375.db2.gz	QRTPYVHBYDNCKH-UHFFFAOYSA-N	0	0	166.201	3.024	10	0		AGAERN
Cc1cc(-c2cc(C)sc2C)n[nH]1	32917210	343103980	/nfs/dbraw/zinc/10/39/80/343103980.db2.gz	ZITYTZLOZMFUDC-UHFFFAOYSA-N	0	0	192.287	3.063	10	0		AGAERN
CCc1ccc2oc(Cl)nc2c1	33420148	343104816	/nfs/dbraw/zinc/10/48/16/343104816.db2.gz	FSSSPMJNIVDADB-UHFFFAOYSA-N	0	0	181.622	3.044	10	0		AGAERN
ON(c1ccccc1)c1ccccc1	33505671	343104995	/nfs/dbraw/zinc/10/49/95/343104995.db2.gz	FMMQDMHSGNXJSQ-UHFFFAOYSA-N	0	0	185.226	3.214	10	0		AGAERN
CCCCCCc1c(O)cccc1O	33505831	343105008	/nfs/dbraw/zinc/10/50/08/343105008.db2.gz	NCTHQZTWNVDWGT-UHFFFAOYSA-N	0	0	194.274	3.221	10	0		AGAERN
Cc1cc(C2=CCCC2)ccc1N	33487536	343105087	/nfs/dbraw/zinc/10/50/87/343105087.db2.gz	QZMWMELTFRHSBM-UHFFFAOYSA-N	0	0	173.259	3.145	10	0		AGAERN
Cc1cc(N)ccc1C1=CCCC1	33487537	343105106	/nfs/dbraw/zinc/10/51/06/343105106.db2.gz	VEFOULVIGQEMPT-UHFFFAOYSA-N	0	0	173.259	3.145	10	0		AGAERN
CCCCCC[C@H](CO)CCC	33506407	343105199	/nfs/dbraw/zinc/10/51/99/343105199.db2.gz	FFTPMKGZLYSQAS-LLVKDONJSA-N	0	0	172.312	3.365	10	0	in-vitro	AGAERN
Cc1c(Cl)ccc(O)c1C(C)C	33506868	343105477	/nfs/dbraw/zinc/10/54/77/343105477.db2.gz	JSOXHHYKGWBWGR-UHFFFAOYSA-N	0	0	184.666	3.477	10	0		AGAERN
Cc1cc(Cl)cc2c1C(=S)CN2	33605971	343105562	/nfs/dbraw/zinc/10/55/62/343105562.db2.gz	UWWJKBNMJSXSCH-UHFFFAOYSA-N	0	0	197.690	3.418	10	0		AGAERN
CC(=O)OCCCCCC(C)(C)C	33606035	343105597	/nfs/dbraw/zinc/10/55/97/343105597.db2.gz	KMRJEJMGUAKIDS-UHFFFAOYSA-N	0	0	186.295	3.156	10	0		AGAERN
CCC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1	33607987	343105765	/nfs/dbraw/zinc/10/57/65/343105765.db2.gz	AQNZBQGJMZUXQX-ZJUUUORDSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(=O)[C@H]1C[C@H](C)CC(C)(C)C1	33607991	343105767	/nfs/dbraw/zinc/10/57/67/343105767.db2.gz	AQNZBQGJMZUXQX-UWVGGRQHSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H](C)COCCc1ccccc1	33637374	343105806	/nfs/dbraw/zinc/10/58/06/343105806.db2.gz	SEICEBVLIVBNTL-LBPRGKRZSA-N	0	0	192.302	3.292	10	0		AGAERN
CCC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1	33607985	343105905	/nfs/dbraw/zinc/10/59/05/343105905.db2.gz	AQNZBQGJMZUXQX-NXEZZACHSA-N	0	0	182.307	3.428	10	0		AGAERN
Cc1ccc(OC/C=C/Cl)c(C)c1	33844557	343107368	/nfs/dbraw/zinc/10/73/68/343107368.db2.gz	SYXDJGFOGSQULI-ZZXKWVIFSA-N	0	0	196.677	3.435	10	0		AGAERN
CC[C@H](C)SCCc1ccncc1	33899944	343107762	/nfs/dbraw/zinc/10/77/62/343107762.db2.gz	ZUILQCLQZCJPRW-JTQLQIEISA-N	0	0	195.331	3.156	10	0		AGAERN
CCCc1nc(Cl)sc1CC	33966230	343108523	/nfs/dbraw/zinc/10/85/23/343108523.db2.gz	MYCVIVBAOUDCSC-UHFFFAOYSA-N	0	0	189.711	3.311	10	0		AGAERN
Cn1c2ccccc2c2c(O)cccc21	33978623	343108621	/nfs/dbraw/zinc/10/86/21/343108621.db2.gz	NTWPYCJPOKZKSY-UHFFFAOYSA-N	0	0	197.237	3.037	10	0		AGAERN
Cc1cc(N)ccc1-c1ccsc1	34027488	343109010	/nfs/dbraw/zinc/10/90/10/343109010.db2.gz	LJMJMMKHBGLGPA-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
Nc1ccc2cc3c(cc2c1)CCCC3	34061354	343109427	/nfs/dbraw/zinc/10/94/27/343109427.db2.gz	QSICEHYCBQABMY-UHFFFAOYSA-N	0	0	197.281	3.301	10	0		AGAERN
CCC(C)(C)C(=O)c1ccc(C)o1	34069342	343109439	/nfs/dbraw/zinc/10/94/39/343109439.db2.gz	VJEYJFQUNNZKPG-UHFFFAOYSA-N	0	0	180.247	3.207	10	0		AGAERN
c1cncc(-n2ccc3ccccc32)c1	34069919	343109524	/nfs/dbraw/zinc/10/95/24/343109524.db2.gz	NFLKJMSYUXZFDF-UHFFFAOYSA-N	0	0	194.237	3.026	10	0		AGAERN
CCc1ccc2ccc(OC)cc2c1	34061011	343109540	/nfs/dbraw/zinc/10/95/40/343109540.db2.gz	IZQPFGFFOUIMRX-UHFFFAOYSA-N	0	0	186.254	3.411	10	0		AGAERN
O=Cc1ccccc1Cc1ccccc1	34076374	343109781	/nfs/dbraw/zinc/10/97/81/343109781.db2.gz	QDMCHWCVLPVAES-UHFFFAOYSA-N	0	0	196.249	3.090	10	0	in-vitro	AGAERN
C/C=C/c1cnc2ccccc2c1	34077824	343109846	/nfs/dbraw/zinc/10/98/46/343109846.db2.gz	FNFDGWSYNCQJLV-GORDUTHDSA-N	0	0	169.227	3.268	10	0		AGAERN
C/C(=C\c1ccc2ccccc2c1)CO	34089042	343110163	/nfs/dbraw/zinc/11/01/63/343110163.db2.gz	CWYRCZWUOKRJKR-DHZHZOJOSA-N	0	0	198.265	3.235	10	0		AGAERN
c1ccc(CNc2ccsc2)cc1	34100011	343110179	/nfs/dbraw/zinc/11/01/79/343110179.db2.gz	WMLSMYHIRCBBPC-UHFFFAOYSA-N	0	0	189.283	3.360	10	0		AGAERN
CCCCCC1CCC(CO)CC1	34087309	343110345	/nfs/dbraw/zinc/11/03/45/343110345.db2.gz	RAOQLAYIDNKQHG-UHFFFAOYSA-N	0	0	184.323	3.365	10	0		AGAERN
Cc1ccc([C@@]2(O)CCC[C@@H]2C)cc1	34108043	343110686	/nfs/dbraw/zinc/11/06/86/343110686.db2.gz	HDBZMLBNDXXBGI-WCQYABFASA-N	0	0	190.286	3.003	10	0		AGAERN
CCc1ccc(C(C)=O)cc1CC	34112859	343110927	/nfs/dbraw/zinc/11/09/27/343110927.db2.gz	DLOGMFXHOVFWFL-UHFFFAOYSA-N	0	0	176.259	3.014	10	0	in-vitro	AGAERN
CCCC[P@]1(=O)CC=C(C)C1	34160734	343111886	/nfs/dbraw/zinc/11/18/86/343111886.db2.gz	JNQSVKDXPKQCOP-NSHDSACASA-N	0	0	172.208	3.110	10	0		AGAERN
Cc1cc2cc(C)c(C)cc2[nH]1	34157532	343111900	/nfs/dbraw/zinc/11/19/00/343111900.db2.gz	NGVWNKFMHZRNCS-UHFFFAOYSA-N	0	0	159.232	3.093	10	0		AGAERN
CCOP(=O)(C=C(C)C)OCC	34161178	343112162	/nfs/dbraw/zinc/11/21/62/343112162.db2.gz	UCCIWGKPAPDPCU-UHFFFAOYSA-N	0	0	192.195	3.176	10	0		AGAERN
CCCC[P@@]1(=O)CC=C(C)C1	34160733	343112179	/nfs/dbraw/zinc/11/21/79/343112179.db2.gz	JNQSVKDXPKQCOP-LLVKDONJSA-N	0	0	172.208	3.110	10	0		AGAERN
CC1(C)c2cccc3cccc(c23)[C@@H]1O	34165057	343112372	/nfs/dbraw/zinc/11/23/72/343112372.db2.gz	JSTKMFXJMRSBAS-ZDUSSCGKSA-N	0	0	198.265	3.164	10	0		AGAERN
CC1(C)c2cccc3cccc(c23)[C@H]1O	34165058	343112403	/nfs/dbraw/zinc/11/24/03/343112403.db2.gz	JSTKMFXJMRSBAS-CYBMUJFWSA-N	0	0	198.265	3.164	10	0		AGAERN
Cc1c(Cl)ccc(Cl)c1O	34165501	343112404	/nfs/dbraw/zinc/11/24/04/343112404.db2.gz	ADMPUELFKXCHDY-UHFFFAOYSA-N	0	0	177.030	3.007	10	0		AGAERN
CCCCn1ccsc1=S	34164332	343112525	/nfs/dbraw/zinc/11/25/25/343112525.db2.gz	HTYWMMZQCZGEJQ-UHFFFAOYSA-N	0	0	173.306	3.079	10	0		AGAERN
CC1(C)CCSc2ccc(N)cc21	34186961	343112814	/nfs/dbraw/zinc/11/28/14/343112814.db2.gz	HORRQLKGNBFGDO-UHFFFAOYSA-N	0	0	193.315	3.042	10	0		AGAERN
C[C@H](c1ccccc1)c1ccco1	34184269	343112946	/nfs/dbraw/zinc/11/29/46/343112946.db2.gz	JCCICDGADSBINS-SNVBAGLBSA-N	0	0	172.227	3.431	10	0		AGAERN
CSCCC1CCCCC1	34211252	343113697	/nfs/dbraw/zinc/11/36/97/343113697.db2.gz	IEGHWNMZMIZZPW-UHFFFAOYSA-N	0	0	158.310	3.320	10	0		AGAERN
CC(C)n1cc2ccccc2c1	34211413	343113788	/nfs/dbraw/zinc/11/37/88/343113788.db2.gz	DYPHFTYWFCYOOC-UHFFFAOYSA-N	0	0	159.232	3.222	10	0		AGAERN
COc1ccc2cccc(C)c2c1	34227374	343114029	/nfs/dbraw/zinc/11/40/29/343114029.db2.gz	PMNFUNLEXSTGNU-UHFFFAOYSA-N	0	0	172.227	3.157	10	0		AGAERN
CCc1c(C)oc2ccccc12	34227362	343114041	/nfs/dbraw/zinc/11/40/41/343114041.db2.gz	QKKJAALPNYZUFU-UHFFFAOYSA-N	0	0	160.216	3.304	10	0		AGAERN
C(=C/c1nccs1)\c1ccccc1	34224489	343114164	/nfs/dbraw/zinc/11/41/64/343114164.db2.gz	BMPYSUZRFLIYEA-VOTSOKGWSA-N	0	0	187.267	3.314	10	0		AGAERN
CCc1cc(Cl)cc(CC)c1N	34277132	343115321	/nfs/dbraw/zinc/11/53/21/343115321.db2.gz	RLPKDPGRZGVHFM-UHFFFAOYSA-N	0	0	183.682	3.047	10	0		AGAERN
Fc1cccc(F)c1-c1ccccn1	34291411	343115641	/nfs/dbraw/zinc/11/56/41/343115641.db2.gz	HXSSBHAUAAIOHP-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
CC(C)(O)CCC1CCCCC1	34294990	343116129	/nfs/dbraw/zinc/11/61/29/343116129.db2.gz	KZZASWGRLOTITL-UHFFFAOYSA-N	0	0	170.296	3.118	10	0		AGAERN
CC[C@@H](C)c1cccnc1Cl	34330348	343116694	/nfs/dbraw/zinc/11/66/94/343116694.db2.gz	HWUSASWUWZVTHZ-SSDOTTSWSA-N	0	0	169.655	3.249	10	0		AGAERN
CCCC[C@@H](O)c1cccc(F)c1	34336883	343116892	/nfs/dbraw/zinc/11/68/92/343116892.db2.gz	XGQKHWXTOKVEJX-LLVKDONJSA-N	0	0	182.238	3.049	10	0		AGAERN
C[C@H]1CCCC[C@@]1(O)c1cccs1	34335762	343117097	/nfs/dbraw/zinc/11/70/97/343117097.db2.gz	CMFDNSKEDGNBAL-ONGXEEELSA-N	0	0	196.315	3.146	10	0		AGAERN
C[C@@]12CCCC1=Nc1ccccc12	34354520	343117152	/nfs/dbraw/zinc/11/71/52/343117152.db2.gz	HTOFKNNUHAYYRP-LBPRGKRZSA-N	0	0	171.243	3.214	10	0		AGAERN
CCCC[C@H](O)c1cccc(F)c1	34336881	343117165	/nfs/dbraw/zinc/11/71/65/343117165.db2.gz	XGQKHWXTOKVEJX-NSHDSACASA-N	0	0	182.238	3.049	10	0		AGAERN
C[C@H]1CCCC[C@]1(O)c1cccs1	34335758	343117170	/nfs/dbraw/zinc/11/71/70/343117170.db2.gz	CMFDNSKEDGNBAL-GXSJLCMTSA-N	0	0	196.315	3.146	10	0		AGAERN
Cc1c(Cl)ccc(Cl)c1C=O	34408444	343118209	/nfs/dbraw/zinc/11/82/09/343118209.db2.gz	TZNXNFCNRBWANB-UHFFFAOYSA-N	0	0	189.041	3.114	10	0		AGAERN
Cc1cc(Cl)c(C)s1	34406453	343118217	/nfs/dbraw/zinc/11/82/17/343118217.db2.gz	PHGYDZAYLOPRSV-UHFFFAOYSA-N	0	0	146.642	3.018	10	0		AGAERN
Cc1cc(C)cc(Cn2cccc2)c1	34408394	343118262	/nfs/dbraw/zinc/11/82/62/343118262.db2.gz	DJJISJXOXPVOSJ-UHFFFAOYSA-N	0	0	185.270	3.153	10	0		AGAERN
CCCc1cc(Cl)c(C)cc1O	34426888	343118941	/nfs/dbraw/zinc/11/89/41/343118941.db2.gz	PBDKPFIVQQUKMK-UHFFFAOYSA-N	0	0	184.666	3.307	10	0		AGAERN
CCC(=O)c1ccccc1SC	34447579	343119340	/nfs/dbraw/zinc/11/93/40/343119340.db2.gz	NCIMBHLSELFTEH-UHFFFAOYSA-N	0	0	180.272	3.001	10	0		AGAERN
CC1(C)CC(=O)c2[nH]c3ccccc3c21	34455359	343119685	/nfs/dbraw/zinc/11/96/85/343119685.db2.gz	LZPIUIZTDVDHGY-UHFFFAOYSA-N	0	0	199.253	3.032	10	0		AGAERN
CCC(=O)CCc1ccc(Cl)cc1	34477158	343119774	/nfs/dbraw/zinc/11/97/74/343119774.db2.gz	YTMMTKFDAHQSPJ-UHFFFAOYSA-N	0	0	196.677	3.252	10	0		AGAERN
CC[C@H]1Cc2ccccc2NC1(C)C	34480166	343119959	/nfs/dbraw/zinc/11/99/59/343119959.db2.gz	YYSZZRXROFHKLU-NSHDSACASA-N	0	0	189.302	3.459	10	0		AGAERN
C/C=C/CSCc1ccccc1	34479591	343119969	/nfs/dbraw/zinc/11/99/69/343119969.db2.gz	OVOKYVFJXJKBOS-NSCUHMNNSA-N	0	0	178.300	3.496	10	0		AGAERN
Cc1ccc([C@@H]2CC[C@@H](C)O2)cc1	34479482	343120049	/nfs/dbraw/zinc/12/00/49/343120049.db2.gz	BOZLMAXPGAFHAO-PWSUYJOCSA-N	0	0	176.259	3.235	10	0		AGAERN
CC[C@@H]1Cc2ccccc2NC1(C)C	34480164	343120055	/nfs/dbraw/zinc/12/00/55/343120055.db2.gz	YYSZZRXROFHKLU-LLVKDONJSA-N	0	0	189.302	3.459	10	0		AGAERN
C/C=C/CNc1ccc(Cl)cc1	34500100	343120395	/nfs/dbraw/zinc/12/03/95/343120395.db2.gz	DZPJJLFJWSPUDX-NSCUHMNNSA-N	0	0	181.666	3.328	10	0		AGAERN
CSCC/C=C/c1ccccc1	34500055	343120463	/nfs/dbraw/zinc/12/04/63/343120463.db2.gz	VLPRSFPOPZQCIV-WEVVVXLNSA-N	0	0	178.300	3.453	10	0		AGAERN
CC[C@H]1Nc2ccccc2C[C@@H]1C	34528637	343121035	/nfs/dbraw/zinc/12/10/35/343121035.db2.gz	ZBOCLUCAMWTOOV-GXSJLCMTSA-N	0	0	175.275	3.069	10	0		AGAERN
CC[C@H]1Nc2ccccc2C[C@H]1C	34528638	343121115	/nfs/dbraw/zinc/12/11/15/343121115.db2.gz	ZBOCLUCAMWTOOV-MWLCHTKSSA-N	0	0	175.275	3.069	10	0		AGAERN
c1ccc([C@@H]2C[C@H]2c2ccccn2)cc1	34546046	343121468	/nfs/dbraw/zinc/12/14/68/343121468.db2.gz	SKXABQXFQNUUEN-QWHCGFSZSA-N	0	0	195.265	3.353	10	0		AGAERN
CCc1c[nH]c2ccc(C)cc12	34552631	343121822	/nfs/dbraw/zinc/12/18/22/343121822.db2.gz	AJNFUQBNLZGEQK-UHFFFAOYSA-N	0	0	159.232	3.039	10	0		AGAERN
Cc1ccc(C(F)(F)F)c(C)c1O	34583289	343122541	/nfs/dbraw/zinc/12/25/41/343122541.db2.gz	CMGCKIAGNKGMCV-UHFFFAOYSA-N	0	0	190.164	3.028	10	0		AGAERN
CC[C@@]1(C)Nc2ccccc2S1	34589027	343122668	/nfs/dbraw/zinc/12/26/68/343122668.db2.gz	IOZMHSSVDBDSJR-JTQLQIEISA-N	0	0	179.288	3.330	10	0		AGAERN
CC[C@]1(C)Nc2ccccc2S1	34589025	343122671	/nfs/dbraw/zinc/12/26/71/343122671.db2.gz	IOZMHSSVDBDSJR-SNVBAGLBSA-N	0	0	179.288	3.330	10	0		AGAERN
CC(C)O[C@@H](C)c1ccccc1	34593544	343122793	/nfs/dbraw/zinc/12/27/93/343122793.db2.gz	KLOUCDOOJZGJFJ-JTQLQIEISA-N	0	0	164.248	3.173	10	0		AGAERN
CC1(C)C[C@H](c2ccccc2)CC1=O	34589702	343122818	/nfs/dbraw/zinc/12/28/18/343122818.db2.gz	BOSPARJWEZVOLU-LLVKDONJSA-N	0	0	188.270	3.159	10	0		AGAERN
CC(C)O[C@H](C)c1ccccc1	34593545	343122846	/nfs/dbraw/zinc/12/28/46/343122846.db2.gz	KLOUCDOOJZGJFJ-SNVBAGLBSA-N	0	0	164.248	3.173	10	0		AGAERN
COc1cccc(OCC=C(C)C)c1	34589843	343122905	/nfs/dbraw/zinc/12/29/05/343122905.db2.gz	CXZMAVXWXDGKKL-UHFFFAOYSA-N	0	0	192.258	3.040	10	0		AGAERN
CC1(C)C[C@@H](c2ccccc2)CC1=O	34589704	343122914	/nfs/dbraw/zinc/12/29/14/343122914.db2.gz	BOSPARJWEZVOLU-NSHDSACASA-N	0	0	188.270	3.159	10	0		AGAERN
Cc1cc(C(C)(C)C)cc(C)c1CO	34591378	343122929	/nfs/dbraw/zinc/12/29/29/343122929.db2.gz	YHXSJJXCLHTKEK-UHFFFAOYSA-N	0	0	192.302	3.093	10	0		AGAERN
CCCC[C@@H](O)CCc1ccccc1	34597011	343123045	/nfs/dbraw/zinc/12/30/45/343123045.db2.gz	ROAOZBSINSZYOR-CYBMUJFWSA-N	0	0	192.302	3.170	10	0		AGAERN
C/C=C/[C@@H](C)C(=O)c1ccccc1	34599305	343123057	/nfs/dbraw/zinc/12/30/57/343123057.db2.gz	WYBHTRNEZTWMEH-KFEJWOFMSA-N	0	0	174.243	3.082	10	0		AGAERN
C/C=C/[C@H](C)C(=O)c1ccccc1	34599306	343123065	/nfs/dbraw/zinc/12/30/65/343123065.db2.gz	WYBHTRNEZTWMEH-HTZNOQTFSA-N	0	0	174.243	3.082	10	0		AGAERN
Cc1nc(C(=O)CCC(C)C)cs1	34599739	343123232	/nfs/dbraw/zinc/12/32/32/343123232.db2.gz	CKYXNSHDTMFLBY-UHFFFAOYSA-N	0	0	197.303	3.070	10	0		AGAERN
CCOC(=O)C(CC=C(C)C)=C(C)C	34611673	343123399	/nfs/dbraw/zinc/12/33/99/343123399.db2.gz	FEMWKHDCWVIQMS-UHFFFAOYSA-N	0	0	196.290	3.242	10	0		AGAERN
C/C(=C\c1ccc(C(C)C)cc1)CO	34622371	343123824	/nfs/dbraw/zinc/12/38/24/343123824.db2.gz	JVMSBNMBQIPYLG-DHZHZOJOSA-N	0	0	190.286	3.206	10	0		AGAERN
Cc1csc(C(=O)CCC(C)C)n1	34622482	343123857	/nfs/dbraw/zinc/12/38/57/343123857.db2.gz	VUAZSDBMQMHRNR-UHFFFAOYSA-N	0	0	197.303	3.070	10	0		AGAERN
C[C@H](c1ccc(O)cc1)C(F)(F)F	34623812	343123880	/nfs/dbraw/zinc/12/38/80/343123880.db2.gz	OCFXWDMWCKPFGO-ZCFIWIBFSA-N	0	0	190.164	3.058	10	0		AGAERN
C/C(=C\C#N)c1ccc(Cl)cc1	34632756	343124178	/nfs/dbraw/zinc/12/41/78/343124178.db2.gz	GIASFKRHARRGGN-SOFGYWHQSA-N	0	0	177.634	3.267	10	0		AGAERN
CCCNc1ccc(NCCC)cc1	34751550	343124906	/nfs/dbraw/zinc/12/49/06/343124906.db2.gz	FBBCNGBQXAYBEA-UHFFFAOYSA-N	0	0	192.306	3.330	10	0		AGAERN
COc1cc(C)c(SC)cc1C	34765884	343125197	/nfs/dbraw/zinc/12/51/97/343125197.db2.gz	ZXCXTVYMHGRFPV-UHFFFAOYSA-N	0	0	182.288	3.034	10	0		AGAERN
CC[C@]1(O)C[C@H](C)CC[C@H]1C(C)C	34764856	343125233	/nfs/dbraw/zinc/12/52/33/343125233.db2.gz	DYCABLGCXHCEMN-WOPDTQHZSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1ccc2c(O)cc(C)cc2c1	34765906	343125256	/nfs/dbraw/zinc/12/52/56/343125256.db2.gz	RMDSKBUDXUVZTN-UHFFFAOYSA-N	0	0	172.227	3.162	10	0		AGAERN
Cc1cc(O)c2ccccc2c1C	34765902	343125262	/nfs/dbraw/zinc/12/52/62/343125262.db2.gz	KHKLHLMLAHHODS-UHFFFAOYSA-N	0	0	172.227	3.162	10	0		AGAERN
Cc1ccc(C(=O)[C@H]2C[C@@H]2C)c(C)c1	34976564	343127100	/nfs/dbraw/zinc/12/71/00/343127100.db2.gz	RAAYOHZFYPJOHC-JQWIXIFHSA-N	0	0	188.270	3.142	10	0		AGAERN
C[C@H]1C[C@@H]1C(=O)c1ccc(Cl)cc1	34976646	343127106	/nfs/dbraw/zinc/12/71/06/343127106.db2.gz	TZEYQBQVXOCALS-XVKPBYJWSA-N	0	0	194.661	3.179	10	0		AGAERN
C[C@H]1C[C@H]1C(=O)c1ccc(Cl)cc1	34976650	343127139	/nfs/dbraw/zinc/12/71/39/343127139.db2.gz	TZEYQBQVXOCALS-OIBJUYFYSA-N	0	0	194.661	3.179	10	0		AGAERN
CC/C(=C\OC)c1ccccc1	35089736	343127355	/nfs/dbraw/zinc/12/73/55/343127355.db2.gz	NHPUVJVMZGEGAU-MDZDMXLPSA-N	0	0	162.232	3.084	10	0		AGAERN
CC(C)Nc1cccc2cnccc12	35020907	343127526	/nfs/dbraw/zinc/12/75/26/343127526.db2.gz	LMLLIBFIOKRVDN-UHFFFAOYSA-N	0	0	186.258	3.055	10	0		AGAERN
Cc1ccc(OCc2ccco2)cc1	35050695	343127577	/nfs/dbraw/zinc/12/75/77/343127577.db2.gz	ZKZTYMNAZDFBOX-UHFFFAOYSA-N	0	0	188.226	3.167	10	0		AGAERN
CO/C=C(\C)c1ccc(Cl)cc1	35089732	343127674	/nfs/dbraw/zinc/12/76/74/343127674.db2.gz	DOPSLWQUPVQNIH-BQYQJAHWSA-N	0	0	182.650	3.347	10	0		AGAERN
CCCCC1CCC(C(=O)OC)CC1	35100121	343128053	/nfs/dbraw/zinc/12/80/53/343128053.db2.gz	VVOVPJQHZJFLMD-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
C[C@H]1CCCC[C@@H]1n1cccc1	35120287	343128412	/nfs/dbraw/zinc/12/84/12/343128412.db2.gz	GDIBAWKDQYPLIJ-QWRGUYRKSA-N	0	0	163.264	3.239	10	0		AGAERN
C[C@H](c1cccs1)n1cccc1	35149382	343129091	/nfs/dbraw/zinc/12/90/91/343129091.db2.gz	FURZLNKUGHIAGA-SECBINFHSA-N	0	0	177.272	3.159	10	0		AGAERN
CC[C@H](C)SCC(=O)C(C)(C)C	35182646	343129200	/nfs/dbraw/zinc/12/92/00/343129200.db2.gz	DSTXVYCMXGRHFA-QMMMGPOBSA-N	0	0	188.336	3.133	10	0		AGAERN
CC[C@H](C)S[C@H]1CCCCC1=O	35182654	343129397	/nfs/dbraw/zinc/12/93/97/343129397.db2.gz	CTRCYOPHZZHDTQ-WPRPVWTQSA-N	0	0	186.320	3.030	10	0		AGAERN
CCC(CC)Nc1ccc(N)c(C)c1	35277626	343131199	/nfs/dbraw/zinc/13/11/99/343131199.db2.gz	ZCCZTLVFHRVGOJ-UHFFFAOYSA-N	0	0	192.306	3.178	10	0		AGAERN
Cc1cc(N[C@H](C)C(C)C)ccc1N	35277856	343131298	/nfs/dbraw/zinc/13/12/98/343131298.db2.gz	FOLQIAOQKRPIBD-SNVBAGLBSA-N	0	0	192.306	3.034	10	0		AGAERN
Cc1cc(SCC(C)C)ccc1N	35278639	343131379	/nfs/dbraw/zinc/13/13/79/343131379.db2.gz	DWSVHZWUBUUPJH-UHFFFAOYSA-N	0	0	195.331	3.325	10	0		AGAERN
Cc1cc(NCCC(C)C)ccc1N	35277713	343131466	/nfs/dbraw/zinc/13/14/66/343131466.db2.gz	OPXJKAPMRDFDHD-UHFFFAOYSA-N	0	0	192.306	3.035	10	0		AGAERN
CCC(C)(C)Nc1ccc(N)c(C)c1	35277873	343131500	/nfs/dbraw/zinc/13/15/00/343131500.db2.gz	ZTEBYOGZMVQVNE-UHFFFAOYSA-N	0	0	192.306	3.178	10	0		AGAERN
Cc1ccsc1C(=O)OC(C)(C)C	35323950	343132206	/nfs/dbraw/zinc/13/22/06/343132206.db2.gz	PKNAPAXSKRWOGI-UHFFFAOYSA-N	0	0	198.287	3.012	10	0		AGAERN
C[C@H]1CCCC[C@H]1n1cccc1C=O	35431367	343132488	/nfs/dbraw/zinc/13/24/88/343132488.db2.gz	NSKBJRRNYKZOOG-CMPLNLGQSA-N	0	0	191.274	3.052	10	0		AGAERN
C[C@H]1CCCC[C@@H]1n1cccc1C=O	35431364	343132761	/nfs/dbraw/zinc/13/27/61/343132761.db2.gz	NSKBJRRNYKZOOG-JQWIXIFHSA-N	0	0	191.274	3.052	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1n1cccc1C=O	35431362	343132850	/nfs/dbraw/zinc/13/28/50/343132850.db2.gz	NSKBJRRNYKZOOG-PWSUYJOCSA-N	0	0	191.274	3.052	10	0		AGAERN
O=Cc1cccn1C1CCCCCC1	35431333	343132852	/nfs/dbraw/zinc/13/28/52/343132852.db2.gz	IGMXLDWHBUAFRK-UHFFFAOYSA-N	0	0	191.274	3.196	10	0		AGAERN
C[C@@H]1CCCC[C@H]1n1cccc1C=O	35431365	343132897	/nfs/dbraw/zinc/13/28/97/343132897.db2.gz	NSKBJRRNYKZOOG-ZYHUDNBSSA-N	0	0	191.274	3.052	10	0		AGAERN
CCCC[C@@H](O)c1ccc(F)cc1	35598609	343133344	/nfs/dbraw/zinc/13/33/44/343133344.db2.gz	SGCWRWKHMFTANJ-LLVKDONJSA-N	0	0	182.238	3.049	10	0		AGAERN
C[C@H]1CCC[C@H](n2cccc2)C1	35651155	343135539	/nfs/dbraw/zinc/13/55/39/343135539.db2.gz	HUJWICCTCPNLIP-QWRGUYRKSA-N	0	0	163.264	3.239	10	0		AGAERN
C[C@H]1CCC[C@@H](n2cccc2)C1	35651157	343135739	/nfs/dbraw/zinc/13/57/39/343135739.db2.gz	HUJWICCTCPNLIP-WDEREUQCSA-N	0	0	163.264	3.239	10	0		AGAERN
CC(C)Nc1nccc2sccc12	35687672	343136602	/nfs/dbraw/zinc/13/66/02/343136602.db2.gz	JQZCYPUHQXGPKN-UHFFFAOYSA-N	0	0	192.287	3.117	10	0		AGAERN
Cc1ccc(C)n1[C@H](C)C1CC1	35734247	343137552	/nfs/dbraw/zinc/13/75/52/343137552.db2.gz	AABBZRGVKMFKCK-SNVBAGLBSA-N	0	0	163.264	3.076	10	0		AGAERN
Cc1ccc(F)c2nccc(Cl)c12	35731075	343137560	/nfs/dbraw/zinc/13/75/60/343137560.db2.gz	JATXORZTYQZUSM-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
Cc1cc(F)c2nccc(Cl)c2c1	35731101	343137615	/nfs/dbraw/zinc/13/76/15/343137615.db2.gz	UXIDXOQPBJBMHL-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
Cc1ccc(C)n1[C@@H](C)C1CC1	35734246	343137704	/nfs/dbraw/zinc/13/77/04/343137704.db2.gz	AABBZRGVKMFKCK-JTQLQIEISA-N	0	0	163.264	3.076	10	0		AGAERN
Cc1ccc2c(c1)C(=O)C[C@H](C)S2	35741325	343138370	/nfs/dbraw/zinc/13/83/70/343138370.db2.gz	RBTMKXZTRMUGLR-QMMMGPOBSA-N	0	0	192.283	3.062	10	0		AGAERN
CCCCC/C=C\C/C=C\CCO	35822618	343139815	/nfs/dbraw/zinc/13/98/15/343139815.db2.gz	WVTVMLXNKUWGBH-HZJYTTRNSA-N	0	0	182.307	3.452	10	0		AGAERN
CC[C@H](C)c1cnc(C(C)C)cn1	35881953	343139902	/nfs/dbraw/zinc/13/99/02/343139902.db2.gz	YKOVLVGOQIHYJS-VIFPVBQESA-N	0	0	178.279	3.114	10	0		AGAERN
CC[C@H](C)C[C@H](C)C[C@@H](C)CO	35881930	343139930	/nfs/dbraw/zinc/13/99/30/343139930.db2.gz	KSAQCJQZQISASG-GARJFASQSA-N	0	0	172.312	3.077	10	0		AGAERN
CC[C@H](C)C[C@@H](C)C[C@@H](C)CO	35881927	343140143	/nfs/dbraw/zinc/14/01/43/343140143.db2.gz	KSAQCJQZQISASG-HBNTYKKESA-N	0	0	172.312	3.077	10	0		AGAERN
CCCCCOCc1ccccc1	35994706	343140330	/nfs/dbraw/zinc/14/03/30/343140330.db2.gz	ZQWXVBRJBCENBM-UHFFFAOYSA-N	0	0	177.267	3.208	10	0		AGAERN
OCCCCCc1ccc(Cl)cc1	36157209	343140611	/nfs/dbraw/zinc/14/06/11/343140611.db2.gz	RBJQEZFNBNNZNK-UHFFFAOYSA-N	0	0	198.693	3.045	10	0		AGAERN
Cc1ccc([C@@H](O)CC(C)C)c(C)c1	36156786	343140617	/nfs/dbraw/zinc/14/06/17/343140617.db2.gz	BJGZJSQAAUAYLM-ZDUSSCGKSA-N	0	0	192.302	3.383	10	0		AGAERN
Cc1cc(C)c(C(=O)C2CC2)c(C)c1	36156541	343140651	/nfs/dbraw/zinc/14/06/51/343140651.db2.gz	UAXJNKAGLQAWHT-UHFFFAOYSA-N	0	0	188.270	3.205	10	0		AGAERN
CCc1ccc([C@@H](O)C2CCC2)cc1	36156578	343140661	/nfs/dbraw/zinc/14/06/61/343140661.db2.gz	DCBIIQXKBOFVJG-ZDUSSCGKSA-N	0	0	190.286	3.083	10	0		AGAERN
Cc1ccc(C)c([C@H](O)C2CCC2)c1	36156587	343140717	/nfs/dbraw/zinc/14/07/17/343140717.db2.gz	SPHJHMWTIIOLID-CYBMUJFWSA-N	0	0	190.286	3.137	10	0		AGAERN
Cc1cc(C)c([C@H](O)C(C)C)c(C)c1	36156822	343140757	/nfs/dbraw/zinc/14/07/57/343140757.db2.gz	KFBJWDTVDARBEW-CYBMUJFWSA-N	0	0	192.302	3.301	10	0		AGAERN
Cc1cc(C)c([C@@H](O)C(C)C)c(C)c1	36156823	343140774	/nfs/dbraw/zinc/14/07/74/343140774.db2.gz	KFBJWDTVDARBEW-ZDUSSCGKSA-N	0	0	192.302	3.301	10	0		AGAERN
CC[C@H](C)c1ccc([C@@H](C)O)cc1	36156356	343140799	/nfs/dbraw/zinc/14/07/99/343140799.db2.gz	POXXJHIATZJFKV-VHSXEESVSA-N	0	0	178.275	3.253	10	0		AGAERN
Cc1ccc([C@H](O)CC(C)C)c(C)c1	36156784	343140874	/nfs/dbraw/zinc/14/08/74/343140874.db2.gz	BJGZJSQAAUAYLM-CYBMUJFWSA-N	0	0	192.302	3.383	10	0		AGAERN
CCCC(=O)c1ccc2c(c1)CCC2	36156535	343140880	/nfs/dbraw/zinc/14/08/80/343140880.db2.gz	WEGHEHIKHXDBCD-UHFFFAOYSA-N	0	0	188.270	3.158	10	0		AGAERN
CCCC[C@H](O)c1ccc(CC)cc1	36156768	343140974	/nfs/dbraw/zinc/14/09/74/343140974.db2.gz	AGBGZOFBMOQPQF-ZDUSSCGKSA-N	0	0	192.302	3.473	10	0		AGAERN
CCCC[C@H](O)c1ccc(F)c(C)c1	36157045	343140920	/nfs/dbraw/zinc/14/09/20/343140920.db2.gz	XMOZLFBSTRZDGB-LBPRGKRZSA-N	0	0	196.265	3.358	10	0		AGAERN
CCCC[C@@H](O)c1ccc(CC)cc1	36156769	343140947	/nfs/dbraw/zinc/14/09/47/343140947.db2.gz	AGBGZOFBMOQPQF-CYBMUJFWSA-N	0	0	192.302	3.473	10	0		AGAERN
CCSCCc1ccc(C)cc1	36404495	343144843	/nfs/dbraw/zinc/14/48/43/343144843.db2.gz	CKQCJCRKXFQXGN-UHFFFAOYSA-N	0	0	180.316	3.291	10	0		AGAERN
CCCC/C=C\[C@@H](O)C(C)(C)C	36404343	343144959	/nfs/dbraw/zinc/14/49/59/343144959.db2.gz	DXSRWTLSYROVJV-HSTULFTRSA-N	0	0	170.296	3.140	10	0		AGAERN
CCCC/C=C\[C@H](O)C(C)(C)C	36404342	343145003	/nfs/dbraw/zinc/14/50/03/343145003.db2.gz	DXSRWTLSYROVJV-QROTZFDESA-N	0	0	170.296	3.140	10	0		AGAERN
COc1cscc1-c1ccccc1	36420279	343145126	/nfs/dbraw/zinc/14/51/26/343145126.db2.gz	HRSRZWAGDWKASN-UHFFFAOYSA-N	0	0	190.267	3.424	10	0		AGAERN
Cc1ccc(-c2ccoc2)cc1	36419813	343145174	/nfs/dbraw/zinc/14/51/74/343145174.db2.gz	PCWCERNFIYTAIK-UHFFFAOYSA-N	0	0	158.200	3.255	10	0		AGAERN
CC(=O)CC/C=C/c1ccccc1	36438094	343145602	/nfs/dbraw/zinc/14/56/02/343145602.db2.gz	FQAGFMVFSPYMEW-UXBLZVDNSA-N	0	0	174.243	3.069	10	0		AGAERN
C/C=C/CSCCCCC	36447986	343145644	/nfs/dbraw/zinc/14/56/44/343145644.db2.gz	FCJQINLCBVYNOG-GQCTYLIASA-N	0	0	158.310	3.486	10	0		AGAERN
CCCCC[C@@H](C)CC(C)=O	36455786	343146048	/nfs/dbraw/zinc/14/60/48/343146048.db2.gz	JBYKHOKWOUCUDJ-SECBINFHSA-N	0	0	156.269	3.182	10	0		AGAERN
CCC(=O)CCc1cccc(Cl)c1	36683757	343148215	/nfs/dbraw/zinc/14/82/15/343148215.db2.gz	UEDUFYHGURRDQG-UHFFFAOYSA-N	0	0	196.677	3.252	10	0		AGAERN
CCC(=O)CCc1ccccc1Cl	36683756	343148317	/nfs/dbraw/zinc/14/83/17/343148317.db2.gz	PQYOQVWYZIZBDR-UHFFFAOYSA-N	0	0	196.677	3.252	10	0		AGAERN
CCn1c(=S)[nH]c2cc(C)ccc21	36891268	343152838	/nfs/dbraw/zinc/15/28/38/343152838.db2.gz	KPAXTYVGFRCJOE-UHFFFAOYSA-N	0	0	192.287	3.027	10	0		AGAERN
Cc1c(O)cccc1OC1CCCC1	36896582	343153089	/nfs/dbraw/zinc/15/30/89/343153089.db2.gz	IOQZSIWNPYGAAM-UHFFFAOYSA-N	0	0	192.258	3.022	10	0		AGAERN
Cc1ccc2c(c1)C(=O)CCCS2	36928823	343154988	/nfs/dbraw/zinc/15/49/88/343154988.db2.gz	RMIUBEHFVJTFGZ-UHFFFAOYSA-N	0	0	192.283	3.064	10	0		AGAERN
CC[C@H](C)C(=O)c1cc(F)ccc1F	36940254	343155427	/nfs/dbraw/zinc/15/54/27/343155427.db2.gz	SHALVMMHBOJVJR-ZETCQYMHSA-N	0	0	198.212	3.194	10	0		AGAERN
CC[C@H](C)C(=O)c1ccc(C)s1	36942685	343155385	/nfs/dbraw/zinc/15/53/85/343155385.db2.gz	QWQUWGOMFKENHK-ZETCQYMHSA-N	0	0	182.288	3.285	10	0		AGAERN
CCc1ccc(C(=O)[C@H]2C[C@H]2C)s1	36943005	343155391	/nfs/dbraw/zinc/15/53/91/343155391.db2.gz	IIYPXXDOXGCUNJ-APPZFPTMSA-N	0	0	194.299	3.149	10	0		AGAERN
Cc1cc(C(=O)[C@H]2C[C@@H]2C)c(C)s1	36944020	343155392	/nfs/dbraw/zinc/15/53/92/343155392.db2.gz	TUWNWCGDLORGCA-RCOVLWMOSA-N	0	0	194.299	3.204	10	0		AGAERN
Cc1cc(C(=O)[C@@H]2C[C@@H]2C)c(C)s1	36944018	343155393	/nfs/dbraw/zinc/15/53/93/343155393.db2.gz	TUWNWCGDLORGCA-IMTBSYHQSA-N	0	0	194.299	3.204	10	0		AGAERN
CCc1ccc(C(=O)[C@H](C)CC)cc1	36941859	343155417	/nfs/dbraw/zinc/15/54/17/343155417.db2.gz	NDINMMPGWKZNKN-SNVBAGLBSA-N	0	0	190.286	3.478	10	0		AGAERN
Cc1ccc(C(=O)C2CCCC2)s1	36942718	343155423	/nfs/dbraw/zinc/15/54/23/343155423.db2.gz	JDDOMISGBZTLOX-UHFFFAOYSA-N	0	0	194.299	3.429	10	0		AGAERN
Cc1ccc(C(=O)CC(C)C)s1	36942730	343155424	/nfs/dbraw/zinc/15/54/24/343155424.db2.gz	PINZRXZHXYSNCU-UHFFFAOYSA-N	0	0	182.288	3.285	10	0		AGAERN
CCCCC(=O)c1ccc(C)s1	36942612	343155435	/nfs/dbraw/zinc/15/54/35/343155435.db2.gz	ABKCKGUVEQJKGW-UHFFFAOYSA-N	0	0	182.288	3.429	10	0		AGAERN
CCC[C@@H](C)C(=O)c1ccc(F)cc1	36940502	343155439	/nfs/dbraw/zinc/15/54/39/343155439.db2.gz	UVGWMADYQCSDCO-SECBINFHSA-N	0	0	194.249	3.445	10	0		AGAERN
CC[C@@H](C)C(=O)c1ccc(F)cc1F	36940649	343155448	/nfs/dbraw/zinc/15/54/48/343155448.db2.gz	FDNCJYVDAUVDAM-SSDOTTSWSA-N	0	0	198.212	3.194	10	0		AGAERN
CC[C@H](C)C(=O)c1ccc(F)cc1	36940563	343155453	/nfs/dbraw/zinc/15/54/53/343155453.db2.gz	ZXOUVAPVBSWUDF-QMMMGPOBSA-N	0	0	180.222	3.055	10	0		AGAERN
CCc1ccc(C(=O)[C@@H]2C[C@H]2C)s1	36943003	343155468	/nfs/dbraw/zinc/15/54/68/343155468.db2.gz	IIYPXXDOXGCUNJ-VXNVDRBHSA-N	0	0	194.299	3.149	10	0		AGAERN
CCC[C@H](C)C(=O)c1cccs1	36942484	343155472	/nfs/dbraw/zinc/15/54/72/343155472.db2.gz	FMECMSWIDMWXDK-QMMMGPOBSA-N	0	0	182.288	3.367	10	0		AGAERN
CCc1ccc(C(=O)[C@H]2C[C@@H]2C)s1	36943001	343155499	/nfs/dbraw/zinc/15/54/99/343155499.db2.gz	IIYPXXDOXGCUNJ-CBAPKCEASA-N	0	0	194.299	3.149	10	0		AGAERN
CCc1ccc(C(=O)[C@@H](C)CC)cc1	36941857	343155504	/nfs/dbraw/zinc/15/55/04/343155504.db2.gz	NDINMMPGWKZNKN-JTQLQIEISA-N	0	0	190.286	3.478	10	0		AGAERN
Cc1cc(C(=O)[C@@H]2C[C@H]2C)c(C)s1	36944022	343155512	/nfs/dbraw/zinc/15/55/12/343155512.db2.gz	TUWNWCGDLORGCA-HZGVNTEJSA-N	0	0	194.299	3.204	10	0		AGAERN
CC[C@@H](C)C(=O)c1ccc(F)c(F)c1	36941567	343155534	/nfs/dbraw/zinc/15/55/34/343155534.db2.gz	OICIQYDWHSQTDI-SSDOTTSWSA-N	0	0	198.212	3.194	10	0		AGAERN
Cc1cc(C(=O)C2CCC2)c(C)s1	36944034	343155559	/nfs/dbraw/zinc/15/55/59/343155559.db2.gz	AKQCEYMSUUDBOK-UHFFFAOYSA-N	0	0	194.299	3.348	10	0		AGAERN
CCC[C@@H](C)C(=O)c1cccs1	36942481	343155574	/nfs/dbraw/zinc/15/55/74/343155574.db2.gz	FMECMSWIDMWXDK-MRVPVSSYSA-N	0	0	182.288	3.367	10	0		AGAERN
Cc1cc(C(=O)[C@H]2C[C@H]2C)c(C)s1	36944024	343155579	/nfs/dbraw/zinc/15/55/79/343155579.db2.gz	TUWNWCGDLORGCA-MUWHJKNJSA-N	0	0	194.299	3.204	10	0		AGAERN
CCC[C@H](C)C(=O)c1ccc(F)cc1	36940504	343155592	/nfs/dbraw/zinc/15/55/92/343155592.db2.gz	UVGWMADYQCSDCO-VIFPVBQESA-N	0	0	194.249	3.445	10	0		AGAERN
CC[C@H](C)C(=O)c1ccc(F)cc1F	36940651	343155595	/nfs/dbraw/zinc/15/55/95/343155595.db2.gz	FDNCJYVDAUVDAM-ZETCQYMHSA-N	0	0	198.212	3.194	10	0		AGAERN
CCC(CC)C(=O)c1ccc(F)cc1	36940551	343155630	/nfs/dbraw/zinc/15/56/30/343155630.db2.gz	JLCMQVOIKFALSX-UHFFFAOYSA-N	0	0	194.249	3.445	10	0		AGAERN
CCc1ccc(C(=O)[C@@H]2C[C@@H]2C)s1	36942999	343155633	/nfs/dbraw/zinc/15/56/33/343155633.db2.gz	IIYPXXDOXGCUNJ-IONNQARKSA-N	0	0	194.299	3.149	10	0		AGAERN
CC[C@H](C)C(=O)c1ccc(F)c(F)c1	36941569	343155635	/nfs/dbraw/zinc/15/56/35/343155635.db2.gz	OICIQYDWHSQTDI-ZETCQYMHSA-N	0	0	198.212	3.194	10	0		AGAERN
Cc1ccc(C(=O)[C@@H]2C[C@H]2C)cc1C	36944828	343155937	/nfs/dbraw/zinc/15/59/37/343155937.db2.gz	BMYHDFSQMARSFU-ZYHUDNBSSA-N	0	0	188.270	3.142	10	0		AGAERN
Cc1ccc(C(=O)[C@H]2C[C@@H]2C)cc1C	36944826	343155946	/nfs/dbraw/zinc/15/59/46/343155946.db2.gz	BMYHDFSQMARSFU-JQWIXIFHSA-N	0	0	188.270	3.142	10	0		AGAERN
Cc1ccc(C(=O)[C@H]2C[C@H]2C)cc1C	36944830	343155974	/nfs/dbraw/zinc/15/59/74/343155974.db2.gz	BMYHDFSQMARSFU-PWSUYJOCSA-N	0	0	188.270	3.142	10	0		AGAERN
CCC(=O)c1c[nH]c2cccc(C)c12	36947483	343156061	/nfs/dbraw/zinc/15/60/61/343156061.db2.gz	AQJSKUUYTPLXHM-UHFFFAOYSA-N	0	0	187.242	3.069	10	0		AGAERN
Cc1cc(N)ccc1SC(C)(C)C	36950317	343156311	/nfs/dbraw/zinc/15/63/11/343156311.db2.gz	XKEPCBSFGCSHHC-UHFFFAOYSA-N	0	0	195.331	3.468	10	0		AGAERN
Cc1cc(N)ccc1N[C@H](C)C(C)C	36950151	343156514	/nfs/dbraw/zinc/15/65/14/343156514.db2.gz	JZGYBSZGWKBKAU-SNVBAGLBSA-N	0	0	192.306	3.034	10	0		AGAERN
Cc1cc(N)ccc1N[C@@H](C)C(C)C	36950150	343156527	/nfs/dbraw/zinc/15/65/27/343156527.db2.gz	JZGYBSZGWKBKAU-JTQLQIEISA-N	0	0	192.306	3.034	10	0		AGAERN
CCC(C)(C)Oc1ccc(C)cc1N	36964620	343156653	/nfs/dbraw/zinc/15/66/53/343156653.db2.gz	AJKUWRCUEZDGJC-UHFFFAOYSA-N	0	0	193.290	3.145	10	0		AGAERN
CC(C)[C@@H](C)Nc1cccnc1Cl	36982839	343156761	/nfs/dbraw/zinc/15/67/61/343156761.db2.gz	APQFOJAVMIQEJK-MRVPVSSYSA-N	0	0	198.697	3.191	10	0		AGAERN
CC(C)[C@H](C)Nc1cccnc1Cl	36982840	343156864	/nfs/dbraw/zinc/15/68/64/343156864.db2.gz	APQFOJAVMIQEJK-QMMMGPOBSA-N	0	0	198.697	3.191	10	0		AGAERN
CC[C@H](C)Sc1ccc(C)cc1N	36964634	343156916	/nfs/dbraw/zinc/15/69/16/343156916.db2.gz	LMWOOZFIBAZCPV-VIFPVBQESA-N	0	0	195.331	3.468	10	0		AGAERN
CCCC(=O)CCc1cccc(F)c1	36988228	343157289	/nfs/dbraw/zinc/15/72/89/343157289.db2.gz	PKQKDDBIPLQPSF-UHFFFAOYSA-N	0	0	194.249	3.128	10	0		AGAERN
Cc1ccc(NCC(C)C)c(C)c1O	37130374	343160853	/nfs/dbraw/zinc/16/08/53/343160853.db2.gz	YLLIJQLEZQPJGJ-UHFFFAOYSA-N	0	0	193.290	3.077	10	0		AGAERN
CCCCNc1ccc(C)c(O)c1C	37130635	343160880	/nfs/dbraw/zinc/16/08/80/343160880.db2.gz	UYMPLDOYSQBRFP-UHFFFAOYSA-N	0	0	193.290	3.221	10	0		AGAERN
CC[C@H](C)Nc1ccc(C)c(O)c1C	37130483	343160954	/nfs/dbraw/zinc/16/09/54/343160954.db2.gz	ILNXEFUSQGHWSZ-VIFPVBQESA-N	0	0	193.290	3.219	10	0		AGAERN
CC[C@@H](Nc1cccc(O)c1)C(C)C	37237947	343163268	/nfs/dbraw/zinc/16/32/68/343163268.db2.gz	QIPLQJQBKLICML-GFCCVEGCSA-N	0	0	193.290	3.239	10	0		AGAERN
C[C@H]1CCC[C@@H](n2cc[nH]c2=S)C1	37256306	343164546	/nfs/dbraw/zinc/16/45/46/343164546.db2.gz	CHCTVGPQOSWNGZ-DTWKUNHWSA-N	0	0	196.319	3.297	10	0		AGAERN
C[C@H]1CCC[C@H](n2cc[nH]c2=S)C1	37256301	343164642	/nfs/dbraw/zinc/16/46/42/343164642.db2.gz	CHCTVGPQOSWNGZ-IUCAKERBSA-N	0	0	196.319	3.297	10	0		AGAERN
Cc1csc(N[C@H](C)CC(C)C)n1	37265085	343164664	/nfs/dbraw/zinc/16/46/64/343164664.db2.gz	FKPZZJBAZOSCOH-MRVPVSSYSA-N	0	0	198.335	3.298	10	0		AGAERN
Cc1csc(N[C@@H](C)CC(C)C)n1	37265084	343164687	/nfs/dbraw/zinc/16/46/87/343164687.db2.gz	FKPZZJBAZOSCOH-QMMMGPOBSA-N	0	0	198.335	3.298	10	0		AGAERN
Cc1csc(NCC2CCCC2)n1	37258821	343164829	/nfs/dbraw/zinc/16/48/29/343164829.db2.gz	IBLLEFGSUOQFIY-UHFFFAOYSA-N	0	0	196.319	3.054	10	0		AGAERN
CC[C@H](C)Nc1ccc(OC)c(F)c1	37290283	343165478	/nfs/dbraw/zinc/16/54/78/343165478.db2.gz	UQEMPXDBADWXIN-QMMMGPOBSA-N	0	0	197.253	3.045	10	0		AGAERN
CCCCSCC(=O)C(C)(C)C	37351781	343165705	/nfs/dbraw/zinc/16/57/05/343165705.db2.gz	HZKWGZGZVPLGNK-UHFFFAOYSA-N	0	0	188.336	3.135	10	0		AGAERN
CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)C(C)C	37375378	343166246	/nfs/dbraw/zinc/16/62/46/343166246.db2.gz	GGJJMAGZRDEKKB-JHJVBQTASA-N	0	0	198.350	3.466	10	0		AGAERN
C[C@H]1CCC[C@@](O)(C2CCCC2)C1	37375461	343166308	/nfs/dbraw/zinc/16/63/08/343166308.db2.gz	RTOKFRBWUNYIBT-JQWIXIFHSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@H]1CCCC[C@]1(O)C1CCCC1	37375794	343166442	/nfs/dbraw/zinc/16/64/42/343166442.db2.gz	POPGVVSTYPGFOA-CMPLNLGQSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@]1(O)C[C@@H](C)CC[C@@H]1C(C)C	37375375	343166458	/nfs/dbraw/zinc/16/64/58/343166458.db2.gz	DYCABLGCXHCEMN-TUAOUCFPSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@]1(O)C[C@H](C)CC[C@@H]1C(C)C	37375371	343166521	/nfs/dbraw/zinc/16/65/21/343166521.db2.gz	DYCABLGCXHCEMN-UTUOFQBUSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@H]1CCC[C@](O)(C2CCCC2)C1	37375458	343166562	/nfs/dbraw/zinc/16/65/62/343166562.db2.gz	RTOKFRBWUNYIBT-CMPLNLGQSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@H]1CCCC[C@@]1(O)C1CCCC1	37375799	343166565	/nfs/dbraw/zinc/16/65/65/343166565.db2.gz	POPGVVSTYPGFOA-JQWIXIFHSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1ccc([C@](C)(O)CC(C)C)cc1	37379237	343166776	/nfs/dbraw/zinc/16/67/76/343166776.db2.gz	SHAFUFOABWEYRE-CYBMUJFWSA-N	0	0	192.302	3.249	10	0		AGAERN
Cc1ccccc1[C@](C)(O)CC(C)C	37379277	343166841	/nfs/dbraw/zinc/16/68/41/343166841.db2.gz	FYODQONKCJWITJ-CYBMUJFWSA-N	0	0	192.302	3.249	10	0		AGAERN
C[C@](O)(c1ccccc1)C1CCCC1	37379183	343166856	/nfs/dbraw/zinc/16/68/56/343166856.db2.gz	VBSQXECZYIRHOS-ZDUSSCGKSA-N	0	0	190.286	3.084	10	0		AGAERN
CCCC(=O)CCc1ccccc1C	37408497	343167585	/nfs/dbraw/zinc/16/75/85/343167585.db2.gz	XSSQQHVTZIHWJY-UHFFFAOYSA-N	0	0	190.286	3.297	10	0		AGAERN
Cc1ccc(SC(C)(C)C)c(N)c1	37401720	343167785	/nfs/dbraw/zinc/16/77/85/343167785.db2.gz	KXLYKASQYLRXGK-UHFFFAOYSA-N	0	0	195.331	3.468	10	0		AGAERN
CCCC(=O)CCc1cccc(C)c1	37408498	343167796	/nfs/dbraw/zinc/16/77/96/343167796.db2.gz	KAZVDLZHLJVNTD-UHFFFAOYSA-N	0	0	190.286	3.297	10	0		AGAERN
CCCC(=O)CCc1ccc(C)cc1	37408499	343167809	/nfs/dbraw/zinc/16/78/09/343167809.db2.gz	DXDAYRGEFROKFY-UHFFFAOYSA-N	0	0	190.286	3.297	10	0		AGAERN
Cc1ccc(NCCC(C)C)c(N)c1	37401255	343167827	/nfs/dbraw/zinc/16/78/27/343167827.db2.gz	OMTGWKHBVNXXEV-UHFFFAOYSA-N	0	0	192.306	3.035	10	0		AGAERN
CCCC(=O)CCc1ccccc1F	37408510	343167848	/nfs/dbraw/zinc/16/78/48/343167848.db2.gz	VJRKGBDTRCKPBX-UHFFFAOYSA-N	0	0	194.249	3.128	10	0		AGAERN
Cc1ccc(SCC(C)C)c(N)c1	37401731	343167852	/nfs/dbraw/zinc/16/78/52/343167852.db2.gz	FQBRYGRHVZPDCZ-UHFFFAOYSA-N	0	0	195.331	3.325	10	0		AGAERN
CCC(C)(C)Nc1cccc(F)c1N	37419310	343168147	/nfs/dbraw/zinc/16/81/47/343168147.db2.gz	CCLJBUFZSSNCSU-UHFFFAOYSA-N	0	0	196.269	3.008	10	0		AGAERN
CC(C)[C@H](O)c1cccc(Cl)c1	37464560	343169079	/nfs/dbraw/zinc/16/90/79/343169079.db2.gz	QYOJXZSONXPFTR-JTQLQIEISA-N	0	0	184.666	3.029	10	0		AGAERN
CC[C@@](C)(O)Cc1cccc(Cl)c1	37463555	343169115	/nfs/dbraw/zinc/16/91/15/343169115.db2.gz	RGPPLDHZONZKTC-LLVKDONJSA-N	0	0	198.693	3.044	10	0		AGAERN
Cc1cccc(CC(=O)C(C)(C)C)c1	37464263	343169187	/nfs/dbraw/zinc/16/91/87/343169187.db2.gz	NQEQPNVFGCQTRI-UHFFFAOYSA-N	0	0	190.286	3.153	10	0		AGAERN
CC(C)[C@@H](O)c1cccc(Cl)c1	37464562	343169264	/nfs/dbraw/zinc/16/92/64/343169264.db2.gz	QYOJXZSONXPFTR-SNVBAGLBSA-N	0	0	184.666	3.029	10	0		AGAERN
CC[C@](C)(O)Cc1cccc(Cl)c1	37463553	343169267	/nfs/dbraw/zinc/16/92/67/343169267.db2.gz	RGPPLDHZONZKTC-NSHDSACASA-N	0	0	198.693	3.044	10	0		AGAERN
C[C@H](Nc1ccccc1)C1(C)CC1	37467519	343169474	/nfs/dbraw/zinc/16/94/74/343169474.db2.gz	CZWONPDBERZNCC-JTQLQIEISA-N	0	0	175.275	3.287	10	0		AGAERN
Cc1ccc([C@@H](O)CC(C)C)cc1F	37465489	343169477	/nfs/dbraw/zinc/16/94/77/343169477.db2.gz	WBGORHFOTITYDH-LBPRGKRZSA-N	0	0	196.265	3.214	10	0		AGAERN
C[C@H](Nc1cccc(F)c1)C1(C)CC1	37467870	343169510	/nfs/dbraw/zinc/16/95/10/343169510.db2.gz	QTCLFZMJTVRCMI-VIFPVBQESA-N	0	0	193.265	3.426	10	0		AGAERN
Cc1cccc([C@@H](O)C(C)(C)C)c1	37465636	343169548	/nfs/dbraw/zinc/16/95/48/343169548.db2.gz	ZMYXMFGBTYFAAO-LLVKDONJSA-N	0	0	178.275	3.075	10	0		AGAERN
Cc1ccc([C@H](O)CC(C)C)cc1F	37465487	343169563	/nfs/dbraw/zinc/16/95/63/343169563.db2.gz	WBGORHFOTITYDH-GFCCVEGCSA-N	0	0	196.265	3.214	10	0		AGAERN
Cc1cccc([C@H](O)C(C)(C)C)c1	37465635	343169640	/nfs/dbraw/zinc/16/96/40/343169640.db2.gz	ZMYXMFGBTYFAAO-NSHDSACASA-N	0	0	178.275	3.075	10	0		AGAERN
CC[C@H]1Cc2ccccc2S1	37625829	343172480	/nfs/dbraw/zinc/17/24/80/343172480.db2.gz	HKYGJTRLMKDUQT-VIFPVBQESA-N	0	0	164.273	3.113	10	0		AGAERN
Cc1[nH]c2ccccc2c1Cl	37632645	343172740	/nfs/dbraw/zinc/17/27/40/343172740.db2.gz	SALPESUBRHVBPM-UHFFFAOYSA-N	0	0	165.623	3.130	10	0		AGAERN
CCCCCC[C@H](O)c1ccco1	37633355	343172855	/nfs/dbraw/zinc/17/28/55/343172855.db2.gz	VAQHAZJXEIUTLV-JTQLQIEISA-N	0	0	182.263	3.283	10	0		AGAERN
CCC(C)(C)Nc1cc(N)cc(F)c1	37666768	343173277	/nfs/dbraw/zinc/17/32/77/343173277.db2.gz	AXBZEDNBJSTXOF-UHFFFAOYSA-N	0	0	196.269	3.008	10	0		AGAERN
CC[C@H](C)Sc1cc(N)cc(F)c1	37668170	343173328	/nfs/dbraw/zinc/17/33/28/343173328.db2.gz	JFKZMTPYVWQAOO-ZETCQYMHSA-N	0	0	199.294	3.299	10	0		AGAERN
Cc1cccc(N[C@H](C)CC(C)C)n1	37670656	343173394	/nfs/dbraw/zinc/17/33/94/343173394.db2.gz	VNIVSMSKHWEZQB-LLVKDONJSA-N	0	0	192.306	3.237	10	0		AGAERN
Cc1cccc(N[C@@H](C)CC(C)C)n1	37670654	343173413	/nfs/dbraw/zinc/17/34/13/343173413.db2.gz	VNIVSMSKHWEZQB-NSHDSACASA-N	0	0	192.306	3.237	10	0		AGAERN
Cc1cccc2c1SCCCC2=O	37665863	343173551	/nfs/dbraw/zinc/17/35/51/343173551.db2.gz	QRNVKKKVOYWJEP-UHFFFAOYSA-N	0	0	192.283	3.064	10	0		AGAERN
CC(C)SCc1cc(F)ccc1N	37685531	343173822	/nfs/dbraw/zinc/17/38/22/343173822.db2.gz	WKOLNOXSZCRJEJ-UHFFFAOYSA-N	0	0	199.294	3.050	10	0		AGAERN
CC[C@H](C)[C@@](C)(O)C1CCCCC1	37745633	343177647	/nfs/dbraw/zinc/17/76/47/343177647.db2.gz	GLXMWEBDRNYTQT-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
FC(F)CNc1ccc(Cl)cc1	37755773	343177929	/nfs/dbraw/zinc/17/79/29/343177929.db2.gz	MHWZTPMFGPMQHY-UHFFFAOYSA-N	0	0	191.608	3.017	10	0		AGAERN
CC(=O)[C@H](C)CC1CCCCC1	37947275	343182578	/nfs/dbraw/zinc/18/25/78/343182578.db2.gz	LHRUVGDDXRBAGC-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(=O)[C@@H](C)CC1CCCCC1	37947274	343182631	/nfs/dbraw/zinc/18/26/31/343182631.db2.gz	LHRUVGDDXRBAGC-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CCCCC[C@@H](CC)C(C)=O	38004214	343183578	/nfs/dbraw/zinc/18/35/78/343183578.db2.gz	FFUFHZPYQXQPTO-SNVBAGLBSA-N	0	0	156.269	3.182	10	0		AGAERN
Cc1cc(C)cc(CC(=O)C(C)C)c1	38077176	343184104	/nfs/dbraw/zinc/18/41/04/343184104.db2.gz	AYNTYECKDRLGJK-UHFFFAOYSA-N	0	0	190.286	3.071	10	0		AGAERN
CCC(O)(CC)c1ccccc1Cl	38078286	343184479	/nfs/dbraw/zinc/18/44/79/343184479.db2.gz	KEXWDUWZVJJUPN-UHFFFAOYSA-N	0	0	198.693	3.348	10	0		AGAERN
CCO[C@@H](C)/C=C/c1ccccc1	38220562	343185590	/nfs/dbraw/zinc/18/55/90/343185590.db2.gz	JBSZXMDEKSMOAO-USKTWTLRSA-N	0	0	176.259	3.125	10	0		AGAERN
C/C=C/[C@@H](C)OCc1ccccc1	38234440	343185940	/nfs/dbraw/zinc/18/59/40/343185940.db2.gz	QLKGEPOQQAEIBN-CGAJTASUSA-N	0	0	176.259	3.168	10	0		AGAERN
CCO[C@H](C)/C=C/c1ccccc1	38220563	343186058	/nfs/dbraw/zinc/18/60/58/343186058.db2.gz	JBSZXMDEKSMOAO-PBQZMEPESA-N	0	0	176.259	3.125	10	0		AGAERN
C=CC[C@@H](C)C(=O)C1CCCCC1	38258522	343186167	/nfs/dbraw/zinc/18/61/67/343186167.db2.gz	VEVZVINYCVJKAY-SNVBAGLBSA-N	0	0	180.291	3.348	10	0		AGAERN
c1ccc2c(c1)cc1n2CCCCC1	38266273	343186275	/nfs/dbraw/zinc/18/62/75/343186275.db2.gz	NODBBPZTSCTAJT-UHFFFAOYSA-N	0	0	185.270	3.368	10	0		AGAERN
CC1(C)C[C@@H]1CNc1ccccc1	38299455	343186966	/nfs/dbraw/zinc/18/69/66/343186966.db2.gz	NCMZSIXSDMXREG-SNVBAGLBSA-N	0	0	175.275	3.145	10	0		AGAERN
CC1(C)CC2=CCCC[C@]2(C)[C@@H](O)C1	38293063	343186968	/nfs/dbraw/zinc/18/69/68/343186968.db2.gz	RKXGOKCQEGZSIU-AAEUAGOBSA-N	0	0	194.318	3.284	10	0		AGAERN
O=C1C[C@H]2CCCC2=C1c1ccccc1	38293117	343186975	/nfs/dbraw/zinc/18/69/75/343186975.db2.gz	OWESGFFYVSBVQT-LLVKDONJSA-N	0	0	198.265	3.213	10	0		AGAERN
C1=C[C@H](Nc2ccccc2)CCC1	38338545	343187351	/nfs/dbraw/zinc/18/73/51/343187351.db2.gz	XXODTFJGVBAOJB-LBPRGKRZSA-N	0	0	173.259	3.207	10	0		AGAERN
C1=C[C@@H](Nc2ccccc2)CCC1	38338546	343187414	/nfs/dbraw/zinc/18/74/14/343187414.db2.gz	XXODTFJGVBAOJB-GFCCVEGCSA-N	0	0	173.259	3.207	10	0		AGAERN
CC1(C)CCCc2ccc(O)cc21	38363253	343187911	/nfs/dbraw/zinc/18/79/11/343187911.db2.gz	ZXDFAXFEHLLRJQ-UHFFFAOYSA-N	0	0	176.259	3.006	10	0		AGAERN
Cc1ccc(C(F)(F)F)s1	38482096	343188726	/nfs/dbraw/zinc/18/87/26/343188726.db2.gz	RSNNHKFOJCLWBX-UHFFFAOYSA-N	0	0	166.167	3.075	10	0		AGAERN
COc1ccc(-c2cccs2)s1	38523745	343188882	/nfs/dbraw/zinc/18/88/82/343188882.db2.gz	MXPGHPUYZODRFU-UHFFFAOYSA-N	0	0	196.296	3.485	10	0		AGAERN
CN1Cc2ccccc2-c2ccccc21	38523698	343188977	/nfs/dbraw/zinc/18/89/77/343188977.db2.gz	CHRZLZISODHLLP-UHFFFAOYSA-N	0	0	195.265	3.303	10	0		AGAERN
Cc1ccc2c(c1)CCCS2	38632753	343189831	/nfs/dbraw/zinc/18/98/31/343189831.db2.gz	DIANRASGHUFPAF-UHFFFAOYSA-N	0	0	164.273	3.033	10	0		AGAERN
CCN(C#N)c1cccc2ccccc12	38672543	343190093	/nfs/dbraw/zinc/19/00/93/343190093.db2.gz	JGUPMBMVXNLRHX-UHFFFAOYSA-N	0	0	196.253	3.147	10	0		AGAERN
Cc1cc(C)cc(Oc2ccccn2)c1	38761894	343190489	/nfs/dbraw/zinc/19/04/89/343190489.db2.gz	MAGPDNHMWULSQW-UHFFFAOYSA-N	0	0	199.253	3.491	10	0		AGAERN
C/C=C/C=C/c1ccc(OC)cc1	38816222	343190954	/nfs/dbraw/zinc/19/09/54/343190954.db2.gz	OWXNYLMFVVNADO-VNKDHWASSA-N	0	0	174.243	3.285	10	0		AGAERN
O=Cc1cccc(C2=CCCC2)c1	38854818	343191058	/nfs/dbraw/zinc/19/10/58/343191058.db2.gz	ZVCTTWIXJJEXFX-UHFFFAOYSA-N	0	0	172.227	3.066	10	0		AGAERN
Cc1cc(O)cc(Cl)c1Cl	38844067	343191128	/nfs/dbraw/zinc/19/11/28/343191128.db2.gz	FVRLJMQDXQTHFH-UHFFFAOYSA-N	0	0	177.030	3.007	10	0		AGAERN
OCc1ccc2c(c1)oc1ccccc12	38858152	343191470	/nfs/dbraw/zinc/19/14/70/343191470.db2.gz	TYAFJVYZGOQYOE-UHFFFAOYSA-N	0	0	198.221	3.078	10	0		AGAERN
C=C(C)/C=C\c1ccc([N+](=O)[O-])cc1	38882190	343191481	/nfs/dbraw/zinc/19/14/81/343191481.db2.gz	DOGGROQPDVVIKH-ARJAWSKDSA-N	0	0	189.214	3.184	10	0		AGAERN
COc1cccc2ccc(C)cc12	38880901	343191487	/nfs/dbraw/zinc/19/14/87/343191487.db2.gz	FEMXBFKBXFXYOT-UHFFFAOYSA-N	0	0	172.227	3.157	10	0		AGAERN
CCCCCc1c[nH]c2ncccc12	38882139	343191494	/nfs/dbraw/zinc/19/14/94/343191494.db2.gz	NIDBIIIBFQJJHF-UHFFFAOYSA-N	0	0	188.274	3.296	10	0		AGAERN
CCC/C=C/c1ccccc1N	38863977	343191554	/nfs/dbraw/zinc/19/15/54/343191554.db2.gz	VHPCXTCBLGLTTC-QPJJXVBHSA-N	0	0	161.248	3.082	10	0		AGAERN
O=C(C=C1CCCC1)c1ccccc1	38892276	343191957	/nfs/dbraw/zinc/19/19/57/343191957.db2.gz	GGKVJADCCZEMPZ-UHFFFAOYSA-N	0	0	186.254	3.370	10	0		AGAERN
Cc1ccc2[nH]c(C(C)(C)C)nc2c1	38950412	343192326	/nfs/dbraw/zinc/19/23/26/343192326.db2.gz	UNPBNEXLKINUEQ-UHFFFAOYSA-N	0	0	188.274	3.169	10	0		AGAERN
Cc1nc(C(C)C)cnc1C(C)C	38973461	343192603	/nfs/dbraw/zinc/19/26/03/343192603.db2.gz	CSHHEVSLMCOHMJ-UHFFFAOYSA-N	0	0	178.279	3.032	10	0		AGAERN
Cc1cc(Cl)c2[nH]ccc2c1	39017444	343192868	/nfs/dbraw/zinc/19/28/68/343192868.db2.gz	MZMFMLWBUVUSMA-UHFFFAOYSA-N	0	0	165.623	3.130	10	0		AGAERN
CC1=C(C)/C(=C/C(C)=C\CO)CCC1	38996509	343192926	/nfs/dbraw/zinc/19/29/26/343192926.db2.gz	FTJKRYCWWARPSI-JWUMZWSUSA-N	0	0	192.302	3.372	10	0		AGAERN
C/C=C(\Cl)c1ccc(OC)cc1	39017817	343193053	/nfs/dbraw/zinc/19/30/53/343193053.db2.gz	VAUYEEQRDHQLMB-KMKOMSMNSA-N	0	0	182.650	3.295	10	0		AGAERN
Cc1ccc2ccoc2c1C	39038170	343193169	/nfs/dbraw/zinc/19/31/69/343193169.db2.gz	OMEUGZPBAFYWGX-UHFFFAOYSA-N	0	0	146.189	3.050	10	0		AGAERN
CC(C)=CCNc1ccc(C)cc1	39038625	343193296	/nfs/dbraw/zinc/19/32/96/343193296.db2.gz	FCGXPPLGGVYNIY-UHFFFAOYSA-N	0	0	175.275	3.373	10	0		AGAERN
CC(C)Oc1ccc2ccncc2c1	39090272	343198154	/nfs/dbraw/zinc/19/81/54/343198154.db2.gz	IFYSEPKNNJHKGH-UHFFFAOYSA-N	0	0	187.242	3.022	10	0		AGAERN
CCc1ccc(C)c(C(C)C)n1	39103897	343198804	/nfs/dbraw/zinc/19/88/04/343198804.db2.gz	BIRYSLFLUXUZSH-UHFFFAOYSA-N	0	0	163.264	3.076	10	0		AGAERN
Cc1cc(C)c(C)c(C(C)C)n1	39103881	343198795	/nfs/dbraw/zinc/19/87/95/343198795.db2.gz	NVPCHSBLAHFKHQ-UHFFFAOYSA-N	0	0	163.264	3.130	10	0		AGAERN
Cc1cc(C(C)C)nc(C)c1C	39103882	343198878	/nfs/dbraw/zinc/19/88/78/343198878.db2.gz	GBRDNVJDTBJWJK-UHFFFAOYSA-N	0	0	163.264	3.130	10	0		AGAERN
CCc1cc(O)cc(C(C)C)c1	39103926	343198903	/nfs/dbraw/zinc/19/89/03/343198903.db2.gz	ODIDHZTUNRNUMX-UHFFFAOYSA-N	0	0	164.248	3.078	10	0		AGAERN
CCCCn1ccc(C(C)C)c1	39104018	343198912	/nfs/dbraw/zinc/19/89/12/343198912.db2.gz	NQXWESYDZKGWLJ-UHFFFAOYSA-N	0	0	165.280	3.412	10	0		AGAERN
CCc1nc(C(C)C)ccc1C	39103898	343198942	/nfs/dbraw/zinc/19/89/42/343198942.db2.gz	ANGJMCOGKYYFAR-UHFFFAOYSA-N	0	0	163.264	3.076	10	0		AGAERN
CCc1cncc(C(C)C)c1C	39103872	343198974	/nfs/dbraw/zinc/19/89/74/343198974.db2.gz	PPMKRYUCHPPYBO-UHFFFAOYSA-N	0	0	163.264	3.076	10	0		AGAERN
Cc1cc(C(C)C)c(C)cc1N	39103900	343198981	/nfs/dbraw/zinc/19/89/81/343198981.db2.gz	AZDNQDHDPDHSBV-UHFFFAOYSA-N	0	0	163.264	3.009	10	0		AGAERN
Cc1ccc(C)c(C(C)C)c1O	39103949	343198983	/nfs/dbraw/zinc/19/89/83/343198983.db2.gz	APYKTELMGOJSIN-UHFFFAOYSA-N	0	0	164.248	3.132	10	0		AGAERN
CCc1cc(C)cc(C(C)C)n1	39103875	343199024	/nfs/dbraw/zinc/19/90/24/343199024.db2.gz	LFUCQPNRVFJZCY-UHFFFAOYSA-N	0	0	163.264	3.076	10	0		AGAERN
Cc1cc(C)c2c(n1)[C@H](C)CCC2	39111381	343199173	/nfs/dbraw/zinc/19/91/73/343199173.db2.gz	ZCQUVMMJCJQPMM-MRVPVSSYSA-N	0	0	175.275	3.138	10	0		AGAERN
CC(C)c1cccc2c1CCCN2	39104801	343199189	/nfs/dbraw/zinc/19/91/89/343199189.db2.gz	WDKGVLYQCMFRAW-UHFFFAOYSA-N	0	0	175.275	3.168	10	0		AGAERN
Cc1nc2cc(C(C)C)ccc2o1	39104835	343199190	/nfs/dbraw/zinc/19/91/90/343199190.db2.gz	WNNGEWIOXOWYGE-UHFFFAOYSA-N	0	0	175.231	3.260	10	0		AGAERN
CC[C@H]1O[C@@H](C(C)C)C=CS1	39104602	343199206	/nfs/dbraw/zinc/19/92/06/343199206.db2.gz	KCMATSMRPNWLAE-BDAKNGLRSA-N	0	0	172.293	3.024	10	0		AGAERN
CC(C)[C@H]1C[C@H]1c1ccccc1N	39104817	343199241	/nfs/dbraw/zinc/19/92/41/343199241.db2.gz	KKVKXPAKUWVOQW-MNOVXSKESA-N	0	0	175.275	3.028	10	0		AGAERN
CC(C)[C@]1(C)C=Nc2ccccc21	39104708	343199254	/nfs/dbraw/zinc/19/92/54/343199254.db2.gz	CLTARMIOYINYSV-LBPRGKRZSA-N	0	0	173.259	3.316	10	0		AGAERN
CC(C)c1ccc2c(c1)NCCC2	39104804	343199258	/nfs/dbraw/zinc/19/92/58/343199258.db2.gz	DKRSBIXQSAOMTB-UHFFFAOYSA-N	0	0	175.275	3.168	10	0		AGAERN
CC(C)[C@H]1C[C@@H]1c1ccccc1N	39104815	343199313	/nfs/dbraw/zinc/19/93/13/343199313.db2.gz	KKVKXPAKUWVOQW-GHMZBOCLSA-N	0	0	175.275	3.028	10	0		AGAERN
CC(C)c1ccc2c(n1)CCCC2	39104866	343199316	/nfs/dbraw/zinc/19/93/16/343199316.db2.gz	NZCCWNUIJHFYMY-UHFFFAOYSA-N	0	0	175.275	3.084	10	0		AGAERN
CC(C)c1cc2cccccc-2n1	39104489	343199324	/nfs/dbraw/zinc/19/93/24/343199324.db2.gz	ZEEKYYVXNIZNDE-UHFFFAOYSA-N	0	0	171.243	3.310	10	0		AGAERN
CC(C)[C@@H]1C[C@@H]1c1ccccc1N	39104814	343199333	/nfs/dbraw/zinc/19/93/33/343199333.db2.gz	KKVKXPAKUWVOQW-WDEREUQCSA-N	0	0	175.275	3.028	10	0		AGAERN
Cc1ncccc1C1CCCCC1	39111382	343199335	/nfs/dbraw/zinc/19/93/35/343199335.db2.gz	VBKWXTQIJURRCY-UHFFFAOYSA-N	0	0	175.275	3.438	10	0		AGAERN
Cc1cc(C)c2c(n1)[C@@H](C)CCC2	39111380	343199356	/nfs/dbraw/zinc/19/93/56/343199356.db2.gz	ZCQUVMMJCJQPMM-QMMMGPOBSA-N	0	0	175.275	3.138	10	0		AGAERN
Cc1ccc(NC2CCCC2)cc1O	39112145	343199492	/nfs/dbraw/zinc/19/94/92/343199492.db2.gz	SCJKZRLKQKYNDH-UHFFFAOYSA-N	0	0	191.274	3.055	10	0		AGAERN
CC(C)P(c1ccccn1)C(C)C	39116764	343201858	/nfs/dbraw/zinc/20/18/58/343201858.db2.gz	FIVKTCVPEWNVOI-UHFFFAOYSA-N	0	0	195.246	3.006	10	0		AGAERN
CCCCCCc1ccccc1CO	39120387	343202090	/nfs/dbraw/zinc/20/20/90/343202090.db2.gz	IOKUFZCPTFJQKE-UHFFFAOYSA-N	0	0	192.302	3.302	10	0		AGAERN
CCc1ccccc1CSC	39120386	343202205	/nfs/dbraw/zinc/20/22/05/343202205.db2.gz	BEIBSKUNRHVPHK-UHFFFAOYSA-N	0	0	166.289	3.112	10	0		AGAERN
Cc1cc(C)c(-c2ncccn2)c(C)c1	39121282	343202258	/nfs/dbraw/zinc/20/22/58/343202258.db2.gz	UJBHUZJQOTXYGX-UHFFFAOYSA-N	0	0	198.269	3.069	10	0		AGAERN
CC(C)c1nccc(-c2ccccc2)n1	39121280	343202278	/nfs/dbraw/zinc/20/22/78/343202278.db2.gz	DZRXZZQCDRCEPK-UHFFFAOYSA-N	0	0	198.269	3.267	10	0		AGAERN
CCc1ccc2c(O)cccc2c1	39119986	343202291	/nfs/dbraw/zinc/20/22/91/343202291.db2.gz	NQBMFLCJBMYYCP-UHFFFAOYSA-N	0	0	172.227	3.108	10	0		AGAERN
CC[C@H](C)c1ccccc1C=O	39120396	343202313	/nfs/dbraw/zinc/20/23/13/343202313.db2.gz	IXGHAHQCIKNYHY-VIFPVBQESA-N	0	0	162.232	3.013	10	0		AGAERN
Cc1cc2cc(C)sc2c(C)n1	39123472	343202628	/nfs/dbraw/zinc/20/26/28/343202628.db2.gz	REZHIPYIYOOZMK-UHFFFAOYSA-N	0	0	177.272	3.222	10	0		AGAERN
Cc1cc(C)c(N=O)c(C)c1F	39133557	343203466	/nfs/dbraw/zinc/20/34/66/343203466.db2.gz	MEZVALRJGGKMFW-UHFFFAOYSA-N	0	0	167.183	3.149	10	0		AGAERN
CCc1ccc2c(C)coc2c1	39136295	343203943	/nfs/dbraw/zinc/20/39/43/343203943.db2.gz	XGCFCLZKKAXPCC-UHFFFAOYSA-N	0	0	160.216	3.304	10	0		AGAERN
CCc1ccc2oc(C)cc2c1	39136347	343204231	/nfs/dbraw/zinc/20/42/31/343204231.db2.gz	VDRRMNRMNLVJDV-UHFFFAOYSA-N	0	0	160.216	3.304	10	0		AGAERN
CCc1cc2ccc(F)cc2o1	39136511	343204465	/nfs/dbraw/zinc/20/44/65/343204465.db2.gz	ZRWYGIPPCVOOOB-UHFFFAOYSA-N	0	0	164.179	3.134	10	0		AGAERN
CCc1cc2c(C)cccc2o1	39136469	343204481	/nfs/dbraw/zinc/20/44/81/343204481.db2.gz	BBGGYBYJZKCWNF-UHFFFAOYSA-N	0	0	160.216	3.304	10	0		AGAERN
CC(C)(C)C1=C[C@H]2CC(=O)C[C@@H](C1)C2	39148384	343204949	/nfs/dbraw/zinc/20/49/49/343204949.db2.gz	ZEKXJQSAKFGWKY-VHSXEESVSA-N	0	0	192.302	3.348	10	0		AGAERN
CC(=O)/C=C/C(C)=C/c1ccccc1	39185260	343205099	/nfs/dbraw/zinc/20/50/99/343205099.db2.gz	UJNDFWXZGPICAE-BNFZFUHLSA-N	0	0	186.254	3.235	10	0		AGAERN
Cc1cc(Cl)cc2cc(C=O)oc12	39168945	343205243	/nfs/dbraw/zinc/20/52/43/343205243.db2.gz	OYGUZDGQKYUOHS-UHFFFAOYSA-N	0	0	194.617	3.207	10	0		AGAERN
CCCCC[C@](C)(O)c1ccccc1	39185475	343205472	/nfs/dbraw/zinc/20/54/72/343205472.db2.gz	YKRHXEQWULPSBM-ZDUSSCGKSA-N	0	0	192.302	3.474	10	0		AGAERN
c1ccc([C@H]2C[C@@H]2c2ccccn2)cc1	39185571	343205608	/nfs/dbraw/zinc/20/56/08/343205608.db2.gz	SKXABQXFQNUUEN-OLZOCXBDSA-N	0	0	195.265	3.353	10	0		AGAERN
CC(C)Cc1cccc2cc[nH]c12	39198720	343205752	/nfs/dbraw/zinc/20/57/52/343205752.db2.gz	YVLRQDZVGGRNPD-UHFFFAOYSA-N	0	0	173.259	3.366	10	0		AGAERN
c1ccc2c(c1)sc1cnccc12	39193763	343205760	/nfs/dbraw/zinc/20/57/60/343205760.db2.gz	XYABUWLMFQFJND-UHFFFAOYSA-N	0	0	185.251	3.450	10	0		AGAERN
C(=C\c1ccco1)\c1ccccc1	39199446	343205996	/nfs/dbraw/zinc/20/59/96/343205996.db2.gz	QHVQSFNBGRXCRP-HJWRWDBZSA-N	0	0	170.211	3.450	10	0		AGAERN
Cc1nc2c(ccc3ccccc32)[nH]1	39207825	343206058	/nfs/dbraw/zinc/20/60/58/343206058.db2.gz	VTDHPZQPVRNKHZ-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
OCc1cccc2c1oc1ccccc12	39215854	343206486	/nfs/dbraw/zinc/20/64/86/343206486.db2.gz	QEBVPXQMWKOIRY-UHFFFAOYSA-N	0	0	198.221	3.078	10	0		AGAERN
COc1ccc2c(c1)C(C)(C)CCC2	39224034	343206700	/nfs/dbraw/zinc/20/67/00/343206700.db2.gz	ZCWLXIWJQXVJKO-UHFFFAOYSA-N	0	0	190.286	3.309	10	0		AGAERN
C=CP(=O)(OC(C)C)OC(C)C	39235483	343207148	/nfs/dbraw/zinc/20/71/48/343207148.db2.gz	SIXWLMJAXPTYJY-UHFFFAOYSA-N	0	0	192.195	3.173	10	0		AGAERN
C=Cc1ccc(C(=O)CCC)cc1	39244564	343207680	/nfs/dbraw/zinc/20/76/80/343207680.db2.gz	KYWVUNNDHYSDDK-UHFFFAOYSA-N	0	0	174.243	3.312	10	0		AGAERN
CCOC(=O)/C=C(\C)C1CCCCC1	39245621	343207774	/nfs/dbraw/zinc/20/77/74/343207774.db2.gz	QYHINSWQNUZZDQ-MDZDMXLPSA-N	0	0	196.290	3.076	10	0		AGAERN
C1=Nc2ccccc2Nc2ccccc21	39241700	343207823	/nfs/dbraw/zinc/20/78/23/343207823.db2.gz	BLOPFAKSIQBSIG-UHFFFAOYSA-N	0	0	194.237	3.494	10	0		AGAERN
CCCCC[C@@H]1CC(C)=CC1=O	39245100	343207828	/nfs/dbraw/zinc/20/78/28/343207828.db2.gz	HQPGYEHOIQNIPH-SNVBAGLBSA-N	0	0	166.264	3.102	10	0		AGAERN
C[C@@H]1CCCCCCCCC1=O	39243908	343207899	/nfs/dbraw/zinc/20/78/99/343207899.db2.gz	VGJUOAIQVYEMNV-SNVBAGLBSA-N	0	0	168.280	3.326	10	0		AGAERN
C[C@H]1CCCCCCCCC1=O	39243909	343207934	/nfs/dbraw/zinc/20/79/34/343207934.db2.gz	VGJUOAIQVYEMNV-JTQLQIEISA-N	0	0	168.280	3.326	10	0		AGAERN
CCCC[C@H](C=O)c1ccccc1	39247288	343208002	/nfs/dbraw/zinc/20/80/02/343208002.db2.gz	DLRSDHOEMSSMCY-GFCCVEGCSA-N	0	0	176.259	3.159	10	0		AGAERN
CCCC[C@@H](C=O)c1ccccc1	39247287	343208062	/nfs/dbraw/zinc/20/80/62/343208062.db2.gz	DLRSDHOEMSSMCY-LBPRGKRZSA-N	0	0	176.259	3.159	10	0		AGAERN
CCCc1ccc(O)c(CCC)c1	39252159	343208309	/nfs/dbraw/zinc/20/83/09/343208309.db2.gz	BRBBSBYGIPRNSU-UHFFFAOYSA-N	0	0	178.275	3.297	10	0		AGAERN
CCCC/C=C/[C@@H]1CCCC1=O	39253757	343208354	/nfs/dbraw/zinc/20/83/54/343208354.db2.gz	IYRLWKZXOOOMSM-BREXMAIKSA-N	0	0	166.264	3.102	10	0		AGAERN
CCCC/C=C/[C@H]1CCCC1=O	39253758	343208431	/nfs/dbraw/zinc/20/84/31/343208431.db2.gz	IYRLWKZXOOOMSM-STUBTGCMSA-N	0	0	166.264	3.102	10	0		AGAERN
c1ccc2c(c1)CCC1(CCCC1)O2	39253344	343208483	/nfs/dbraw/zinc/20/84/83/343208483.db2.gz	NORLHXFVNQCDPF-UHFFFAOYSA-N	0	0	188.270	3.324	10	0		AGAERN
C=CSc1cccc(C)c1	39249453	343208526	/nfs/dbraw/zinc/20/85/26/343208526.db2.gz	NJPAKIAUQXSFGP-UHFFFAOYSA-N	0	0	150.246	3.231	10	0		AGAERN
CC1(C)CCCc2sccc21	39257450	343208638	/nfs/dbraw/zinc/20/86/38/343208638.db2.gz	ZNVCGOGTBSXTIN-UHFFFAOYSA-N	0	0	166.289	3.362	10	0		AGAERN
CCCC(CCC)SC	39256164	343208643	/nfs/dbraw/zinc/20/86/43/343208643.db2.gz	ADZAEUFCTQARFM-UHFFFAOYSA-N	0	0	146.299	3.318	10	0		AGAERN
C=CC[C@H](C(=O)Cl)c1ccccc1	39259281	343208762	/nfs/dbraw/zinc/20/87/62/343208762.db2.gz	WUXRGHBQADJDJZ-JTQLQIEISA-N	0	0	194.661	3.112	10	0		AGAERN
CC[C@H](C)Cc1cccs1	39255800	343208796	/nfs/dbraw/zinc/20/87/96/343208796.db2.gz	WKGHDMVLUJNXJR-QMMMGPOBSA-N	0	0	154.278	3.337	10	0		AGAERN
C=CC[C@@H](C(=O)Cl)c1ccccc1	39259282	343208836	/nfs/dbraw/zinc/20/88/36/343208836.db2.gz	WUXRGHBQADJDJZ-SNVBAGLBSA-N	0	0	194.661	3.112	10	0		AGAERN
CC(C)Cc1ccc(O)c(Cl)c1	39259361	343208980	/nfs/dbraw/zinc/20/89/80/343208980.db2.gz	VUGCKXJUVZGJRZ-UHFFFAOYSA-N	0	0	184.666	3.244	10	0		AGAERN
C[C@H]1CC[C@H](C(C)(C)C)CC1=O	39259772	343208991	/nfs/dbraw/zinc/20/89/91/343208991.db2.gz	WVVALRZXBLFRSJ-IUCAKERBSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)=CC[C@@H]1CCCCC1=O	39259419	343209099	/nfs/dbraw/zinc/20/90/99/343209099.db2.gz	MBKWJMJOTHMJIC-JTQLQIEISA-N	0	0	166.264	3.102	10	0		AGAERN
Cc1cc(Cl)c(O)cc1Cl	39259365	343209184	/nfs/dbraw/zinc/20/91/84/343209184.db2.gz	BJXGQFCETVDSHR-UHFFFAOYSA-N	0	0	177.030	3.007	10	0		AGAERN
CC(C)O/C=C/c1ccccc1	39275057	343209319	/nfs/dbraw/zinc/20/93/19/343209319.db2.gz	VNOSMVIVSUHSPU-CMDGGOBGSA-N	0	0	162.232	3.082	10	0		AGAERN
Cc1nc(Cl)cc2ccccc12	39269511	343209405	/nfs/dbraw/zinc/20/94/05/343209405.db2.gz	AGPHINVRYAFBSN-UHFFFAOYSA-N	0	0	177.634	3.197	10	0		AGAERN
C[C@H]1CCC(=O)c2c(F)ccc(F)c21	39269310	343209412	/nfs/dbraw/zinc/20/94/12/343209412.db2.gz	WGARJGIZDRDGMJ-LURJTMIESA-N	0	0	196.196	3.045	10	0		AGAERN
c1ccc(CSC2CC2)cc1	39303972	343210160	/nfs/dbraw/zinc/21/01/60/343210160.db2.gz	MCOJYOBVAJJXLC-UHFFFAOYSA-N	0	0	164.273	3.082	10	0		AGAERN
Cc1cc(C)c(Cl)s1	39321840	343210730	/nfs/dbraw/zinc/21/07/30/343210730.db2.gz	BZDMATIFRFKLKK-UHFFFAOYSA-N	0	0	146.642	3.018	10	0		AGAERN
Cc1ccc(C(C)(C)C[C@@H](C)O)cc1	39351660	343211064	/nfs/dbraw/zinc/21/10/64/343211064.db2.gz	MMSDBPZRACAXJG-LLVKDONJSA-N	0	0	192.302	3.044	10	0		AGAERN
COc1c(Cl)cc(C)cc1Cl	39350434	343211111	/nfs/dbraw/zinc/21/11/11/343211111.db2.gz	MZUUPMYKMROMRF-UHFFFAOYSA-N	0	0	191.057	3.310	10	0		AGAERN
CCN(C)c1cccc2ccccc12	39375103	343211554	/nfs/dbraw/zinc/21/15/54/343211554.db2.gz	AJPOUQFCBFQUNH-UHFFFAOYSA-N	0	0	185.270	3.296	10	0		AGAERN
CCc1nc2cc(C)ccc2s1	39401609	343211784	/nfs/dbraw/zinc/21/17/84/343211784.db2.gz	OQQOKAMXIGXUBC-UHFFFAOYSA-N	0	0	177.272	3.167	10	0		AGAERN
CCOC(=O)[C@H](CC)C1CCCCC1	39393966	343211787	/nfs/dbraw/zinc/21/17/87/343211787.db2.gz	LYOORHKVMBWDGN-LLVKDONJSA-N	0	0	198.306	3.156	10	0		AGAERN
CCCC[C@H](O)c1cccc(C)c1	39406462	343211864	/nfs/dbraw/zinc/21/18/64/343211864.db2.gz	AAVRLZBLEILGHS-LBPRGKRZSA-N	0	0	178.275	3.219	10	0		AGAERN
C[C@H]1CCc2cc(Cl)ccc2N1	39401441	343211920	/nfs/dbraw/zinc/21/19/20/343211920.db2.gz	WUZJKNLZGXOHQC-ZETCQYMHSA-N	0	0	181.666	3.087	10	0		AGAERN
COc1ccc(CC(C)(C)C)cc1	39393757	343211926	/nfs/dbraw/zinc/21/19/26/343211926.db2.gz	NQXBGRMIOCFRQC-UHFFFAOYSA-N	0	0	178.275	3.284	10	0	in-vitro	AGAERN
CCOC(=O)[C@@H](CC)C1CCCCC1	39393964	343212030	/nfs/dbraw/zinc/21/20/30/343212030.db2.gz	LYOORHKVMBWDGN-NSHDSACASA-N	0	0	198.306	3.156	10	0		AGAERN
Cc1cc(O)c2cc(C)ccc2c1	39398757	343212064	/nfs/dbraw/zinc/21/20/64/343212064.db2.gz	RKISEFKDRKMGJW-UHFFFAOYSA-N	0	0	172.227	3.162	10	0		AGAERN
Cc1ccc(C(=O)C2CC2)c(Cl)c1	39414839	343212219	/nfs/dbraw/zinc/21/22/19/343212219.db2.gz	INYPSANNSHXQLW-UHFFFAOYSA-N	0	0	194.661	3.241	10	0		AGAERN
O=Cc1cccc2c1Cc1ccccc1-2	39476197	343212938	/nfs/dbraw/zinc/21/29/38/343212938.db2.gz	MFOWHGLWSHZGCA-UHFFFAOYSA-N	0	0	194.233	3.070	10	0		AGAERN
Cc1ccc(SC(F)F)cc1	39476605	343213028	/nfs/dbraw/zinc/21/30/28/343213028.db2.gz	ZLOWVOYXPNBQEZ-UHFFFAOYSA-N	0	0	174.215	3.310	10	0		AGAERN
CC1(C)CCC[C@]2(C)C(=O)CCC=C12	39437139	343213034	/nfs/dbraw/zinc/21/30/34/343213034.db2.gz	UMXLOZGDJUJAHK-ZDUSSCGKSA-N	0	0	192.302	3.492	10	0		AGAERN
CC(C)(C)OC1CCCCC1	39597002	343213298	/nfs/dbraw/zinc/21/32/98/343213298.db2.gz	TZEUDSUHMOPLQM-UHFFFAOYSA-N	0	0	156.269	3.134	10	0		AGAERN
Cc1cc(=S)[nH]c2c(F)cccc12	40175146	343215167	/nfs/dbraw/zinc/21/51/67/343215167.db2.gz	IPBJZQZCBPBRRP-UHFFFAOYSA-N	0	0	193.246	3.345	10	0		AGAERN
Cc1cc(Cl)nc2c(F)cccc12	40175114	343215183	/nfs/dbraw/zinc/21/51/83/343215183.db2.gz	YUMCYHRRIKSBMG-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
Cc1ccc2[nH]ccc(=S)c2c1	40175656	343215826	/nfs/dbraw/zinc/21/58/26/343215826.db2.gz	KEQGBDXQIQOFOD-UHFFFAOYSA-N	0	0	175.256	3.206	10	0		AGAERN
C[C@@H]1C[C@H]1[C@H](O)c1ccc(Cl)cc1	40243903	343216055	/nfs/dbraw/zinc/21/60/55/343216055.db2.gz	NEWKNFNSLACBIT-AVPPRXQKSA-N	0	0	196.677	3.029	10	0		AGAERN
Cc1ccc([C@H](O)CC(C)C)s1	40242138	343216065	/nfs/dbraw/zinc/21/60/65/343216065.db2.gz	UGSFMMDBWJOCCB-SECBINFHSA-N	0	0	184.304	3.136	10	0		AGAERN
CC[C@H](O)c1csc2ccccc12	40258499	343216071	/nfs/dbraw/zinc/21/60/71/343216071.db2.gz	HJBKHVLVZXODMI-JTQLQIEISA-N	0	0	192.283	3.345	10	0		AGAERN
CC[C@H](O)c1c(C)c(C)cc(C)c1C	40248784	343216073	/nfs/dbraw/zinc/21/60/73/343216073.db2.gz	UFCREVPEDRWFGS-LBPRGKRZSA-N	0	0	192.302	3.364	10	0		AGAERN
Cc1cc([C@H](O)C(C)(C)C)c(C)s1	40257390	343216096	/nfs/dbraw/zinc/21/60/96/343216096.db2.gz	OGYAJLNXEWOFGG-JTQLQIEISA-N	0	0	198.331	3.444	10	0		AGAERN
CCc1ccc([C@@H](O)C2CCC2)s1	40242793	343216139	/nfs/dbraw/zinc/21/61/39/343216139.db2.gz	VTVLNXNLYWRELV-NSHDSACASA-N	0	0	196.315	3.144	10	0		AGAERN
Cc1ccc([C@@H](O)CC(C)(C)C)cc1	40244292	343216148	/nfs/dbraw/zinc/21/61/48/343216148.db2.gz	YWHQLSDFYMCIPY-LBPRGKRZSA-N	0	0	192.302	3.465	10	0		AGAERN
CCc1ccc([C@H](O)C(C)(C)C)cc1	40254910	343216158	/nfs/dbraw/zinc/21/61/58/343216158.db2.gz	FHGQLRYBUMPBET-LBPRGKRZSA-N	0	0	192.302	3.329	10	0		AGAERN
Cc1cc([C@@H](O)C(C)(C)C)c(C)s1	40257391	343216173	/nfs/dbraw/zinc/21/61/73/343216173.db2.gz	OGYAJLNXEWOFGG-SNVBAGLBSA-N	0	0	198.331	3.444	10	0		AGAERN
CC[C@H](C)[C@H](O)c1ccc(C)c(C)c1	40241736	343216239	/nfs/dbraw/zinc/21/62/39/343216239.db2.gz	JAIXWKDLVKAKAQ-ZANVPECISA-N	0	0	192.302	3.383	10	0		AGAERN
Cc1ccc(C)c([C@@H](O)C(C)(C)C)c1	40248373	343216247	/nfs/dbraw/zinc/21/62/47/343216247.db2.gz	KIZJQNSSMPLFBV-GFCCVEGCSA-N	0	0	192.302	3.383	10	0		AGAERN
CCc1ccc([C@@H](O)C(C)(C)C)cc1	40254912	343216259	/nfs/dbraw/zinc/21/62/59/343216259.db2.gz	FHGQLRYBUMPBET-GFCCVEGCSA-N	0	0	192.302	3.329	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1ccc(C)c(C)c1	40241738	343216279	/nfs/dbraw/zinc/21/62/79/343216279.db2.gz	JAIXWKDLVKAKAQ-TVQRCGJNSA-N	0	0	192.302	3.383	10	0		AGAERN
C[C@@H]1C[C@@H]1[C@H](O)c1ccc(Cl)cc1	40243901	343216298	/nfs/dbraw/zinc/21/62/98/343216298.db2.gz	NEWKNFNSLACBIT-PPKCKEKNSA-N	0	0	196.677	3.029	10	0		AGAERN
CC(C)(C)Sc1cccc(F)n1	40712351	343221389	/nfs/dbraw/zinc/22/13/89/343221389.db2.gz	WEGVGUBGNAWFEN-UHFFFAOYSA-N	0	0	185.267	3.111	10	0		AGAERN
CC(C)S[C@@H](C)c1cccc(N)c1	40908692	343224069	/nfs/dbraw/zinc/22/40/69/343224069.db2.gz	MBKGRCQUDUAIBI-VIFPVBQESA-N	0	0	195.331	3.471	10	0		AGAERN
CC[C@@H](C)c1nc2cc(C)ccc2[nH]1	41043068	343226171	/nfs/dbraw/zinc/22/61/71/343226171.db2.gz	UEJXGAGGOFCWSA-SECBINFHSA-N	0	0	188.274	3.385	10	0		AGAERN
CC[C@H](C)c1nc2cc(C)ccc2[nH]1	41043069	343226359	/nfs/dbraw/zinc/22/63/59/343226359.db2.gz	UEJXGAGGOFCWSA-VIFPVBQESA-N	0	0	188.274	3.385	10	0		AGAERN
Nc1cc(Cl)ccc1-c1ccco1	41048855	343227078	/nfs/dbraw/zinc/22/70/78/343227078.db2.gz	BCPKLHCMTVRZKS-UHFFFAOYSA-N	0	0	193.633	3.182	10	0		AGAERN
Cc1c(N)cccc1-c1cccs1	41048936	343227111	/nfs/dbraw/zinc/22/71/11/343227111.db2.gz	RDZXWJDLEYIFEH-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
Cc1ccc(-c2ccc(C)o2)c(N)c1	41048884	343227146	/nfs/dbraw/zinc/22/71/46/343227146.db2.gz	BAVDMKIRJSYGBJ-UHFFFAOYSA-N	0	0	187.242	3.146	10	0		AGAERN
Cc1ccc(-c2cc(N)ccc2C)o1	41048878	343227269	/nfs/dbraw/zinc/22/72/69/343227269.db2.gz	WMSQTYFWANUKBP-UHFFFAOYSA-N	0	0	187.242	3.146	10	0		AGAERN
CC[C@H]1CC(=O)c2cc(C)ccc21	41198872	343231433	/nfs/dbraw/zinc/23/14/33/343231433.db2.gz	IWHFYDFOPQULNB-VIFPVBQESA-N	0	0	174.243	3.075	10	0		AGAERN
CC[C@@H]1CC(=O)c2cc(C)ccc21	41198869	343231604	/nfs/dbraw/zinc/23/16/04/343231604.db2.gz	IWHFYDFOPQULNB-SECBINFHSA-N	0	0	174.243	3.075	10	0		AGAERN
CC(C)c1ccc(OC(F)F)cc1	41203422	343231714	/nfs/dbraw/zinc/23/17/14/343231714.db2.gz	URVNFGYEQREYNO-UHFFFAOYSA-N	0	0	186.201	3.411	10	0		AGAERN
CCc1ccc2c(c1)C(=O)C[C@@H]2CC	41204226	343232225	/nfs/dbraw/zinc/23/22/25/343232225.db2.gz	IBMNTDKSQXNMJX-JTQLQIEISA-N	0	0	188.270	3.329	10	0		AGAERN
CC(C)c1ccc2c(c1)C(=O)C[C@H]2C	41204222	343232300	/nfs/dbraw/zinc/23/23/00/343232300.db2.gz	CBOSAEWRHKAOBT-SECBINFHSA-N	0	0	188.270	3.500	10	0		AGAERN
Cc1cc(-c2nccs2)ccc1F	41206189	343232447	/nfs/dbraw/zinc/23/24/47/343232447.db2.gz	RQIYZFDHJXYSDQ-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
Cc1cccc([C@@H](O)CC(C)C)c1C	41206088	343232521	/nfs/dbraw/zinc/23/25/21/343232521.db2.gz	DGJFNKZTXCZDRJ-ZDUSSCGKSA-N	0	0	192.302	3.383	10	0		AGAERN
Cc1c[nH]c(-c2ccccc2Cl)n1	41206116	343232805	/nfs/dbraw/zinc/23/28/05/343232805.db2.gz	SFAJCTXQFYRELK-UHFFFAOYSA-N	0	0	192.649	3.039	10	0		AGAERN
Cc1cccc([C@@H](O)C(C)(C)C)c1C	41206090	343232820	/nfs/dbraw/zinc/23/28/20/343232820.db2.gz	XMDYVCXWONIANZ-GFCCVEGCSA-N	0	0	192.302	3.383	10	0		AGAERN
Cc1ccc(OC2CCCC2)cc1	41391768	343234591	/nfs/dbraw/zinc/23/45/91/343234591.db2.gz	FGMRDNYZWYLNME-UHFFFAOYSA-N	0	0	176.259	3.316	10	0		AGAERN
Cc1cccc(NC2(C)CCCC2)n1	42187692	343237966	/nfs/dbraw/zinc/23/79/66/343237966.db2.gz	UVFBIBLSTJLLAM-UHFFFAOYSA-N	0	0	190.290	3.135	10	0		AGAERN
C[C@H](c1cccc(F)c1)n1cccc1	42228300	343238665	/nfs/dbraw/zinc/23/86/65/343238665.db2.gz	YHHPRLRDDAJELE-SNVBAGLBSA-N	0	0	189.233	3.237	10	0		AGAERN
Cc1ccnn1C1CCCCCC1	42355229	343240435	/nfs/dbraw/zinc/24/04/35/343240435.db2.gz	XEYZWZYRTJIAMJ-UHFFFAOYSA-N	0	0	178.279	3.087	10	0		AGAERN
CCCC(=O)CCC1CCCC1	42375088	343240998	/nfs/dbraw/zinc/24/09/98/343240998.db2.gz	XMUMPHMZFNMGJD-UHFFFAOYSA-N	0	0	168.280	3.326	10	0		AGAERN
O=C1CCC[C@@H]1CC1CCCCC1	42397288	343241367	/nfs/dbraw/zinc/24/13/67/343241367.db2.gz	OJDQHKDNMCHGNR-LLVKDONJSA-N	0	0	180.291	3.326	10	0		AGAERN
O=C1CCC[C@H]1CC1CCCCC1	42397283	343241461	/nfs/dbraw/zinc/24/14/61/343241461.db2.gz	OJDQHKDNMCHGNR-NSHDSACASA-N	0	0	180.291	3.326	10	0		AGAERN
C/C=C\C(=O)c1cccc(Cl)c1	42394523	343241495	/nfs/dbraw/zinc/24/14/95/343241495.db2.gz	WHSBQSKSPPUGIL-RQOWECAXSA-N	0	0	180.634	3.099	10	0		AGAERN
Cc1cccc(-c2n[nH]cc2Cl)c1	42415131	343242139	/nfs/dbraw/zinc/24/21/39/343242139.db2.gz	CZFRSSRQEOLLNU-UHFFFAOYSA-N	0	0	192.649	3.039	10	0		AGAERN
Cc1ccc(-c2n[nH]cc2Cl)cc1	42415088	343242164	/nfs/dbraw/zinc/24/21/64/343242164.db2.gz	VQVMGFNPNMAVTQ-UHFFFAOYSA-N	0	0	192.649	3.039	10	0		AGAERN
Cc1ccccc1-c1n[nH]cc1Cl	42415115	343242366	/nfs/dbraw/zinc/24/23/66/343242366.db2.gz	MJGJTINOICAVQO-UHFFFAOYSA-N	0	0	192.649	3.039	10	0		AGAERN
CC[C@H](C)[C@@H](C)Nc1ccc(C)cn1	42557390	343246749	/nfs/dbraw/zinc/24/67/49/343246749.db2.gz	QTKDUQJNCLSRLV-WDEREUQCSA-N	0	0	192.306	3.237	10	0		AGAERN
CC[C@@H](C)[C@@H](C)Nc1ccc(C)cn1	42557387	343246759	/nfs/dbraw/zinc/24/67/59/343246759.db2.gz	QTKDUQJNCLSRLV-GHMZBOCLSA-N	0	0	192.306	3.237	10	0		AGAERN
CC[C@@H](C)[C@H](C)Nc1ccc(C)cn1	42557393	343246765	/nfs/dbraw/zinc/24/67/65/343246765.db2.gz	QTKDUQJNCLSRLV-MNOVXSKESA-N	0	0	192.306	3.237	10	0		AGAERN
CC[C@@H](C)[C@@H](C)Nc1cccc(N)c1	42552284	343246780	/nfs/dbraw/zinc/24/67/80/343246780.db2.gz	ZBRKTIKKEPOQQG-NXEZZACHSA-N	0	0	192.306	3.115	10	0		AGAERN
CC[C@H](C)[C@H](C)Nc1cccc(N)c1	42552293	343246922	/nfs/dbraw/zinc/24/69/22/343246922.db2.gz	ZBRKTIKKEPOQQG-UWVGGRQHSA-N	0	0	192.306	3.115	10	0		AGAERN
CC[C@@H](C)[C@H](C)Nc1cccc(N)c1	42552290	343246931	/nfs/dbraw/zinc/24/69/31/343246931.db2.gz	ZBRKTIKKEPOQQG-ZJUUUORDSA-N	0	0	192.306	3.115	10	0		AGAERN
CC[C@H](C)[C@H](C)Nc1ccc(C)cn1	42557396	343247262	/nfs/dbraw/zinc/24/72/62/343247262.db2.gz	QTKDUQJNCLSRLV-QWRGUYRKSA-N	0	0	192.306	3.237	10	0		AGAERN
CC[C@@H](Nc1cccc(N)c1)C(C)C	42586683	343247648	/nfs/dbraw/zinc/24/76/48/343247648.db2.gz	HXOQAKZJGQXRDK-GFCCVEGCSA-N	0	0	192.306	3.115	10	0		AGAERN
CC[C@H](Nc1cccc(N)c1)C(C)C	42586680	343247700	/nfs/dbraw/zinc/24/77/00/343247700.db2.gz	HXOQAKZJGQXRDK-LBPRGKRZSA-N	0	0	192.306	3.115	10	0		AGAERN
CC[C@H](Nc1ccc(F)cn1)C(C)C	42590819	343247870	/nfs/dbraw/zinc/24/78/70/343247870.db2.gz	BKFBMZWCSNDUEY-JTQLQIEISA-N	0	0	196.269	3.067	10	0		AGAERN
Cc1ccsc1C(=O)CC(C)C	42728533	343248245	/nfs/dbraw/zinc/24/82/45/343248245.db2.gz	LDUXCMXNMUWYAO-UHFFFAOYSA-N	0	0	182.288	3.285	10	0		AGAERN
Cc1ccsc1C(=O)C(C)(C)C	42728516	343248274	/nfs/dbraw/zinc/24/82/74/343248274.db2.gz	FIAQXQYUAWZYDH-UHFFFAOYSA-N	0	0	182.288	3.285	10	0		AGAERN
CC[C@@H](Nc1nc(C)cs1)C(C)C	42591172	343248277	/nfs/dbraw/zinc/24/82/77/343248277.db2.gz	HJIJNWUJUPGIIC-SECBINFHSA-N	0	0	198.335	3.298	10	0		AGAERN
CC[C@H](C(C)C)n1cc[nH]c1=S	42591472	343248377	/nfs/dbraw/zinc/24/83/77/343248377.db2.gz	VBJUUBVIHYMYEP-MRVPVSSYSA-N	0	0	184.308	3.153	10	0		AGAERN
CC[C@@H](Nc1cccc(F)n1)C(C)C	42595563	343248431	/nfs/dbraw/zinc/24/84/31/343248431.db2.gz	BVMAIEUAUWKWHZ-SECBINFHSA-N	0	0	196.269	3.067	10	0		AGAERN
CC[C@@H](Nc1ccc(F)cn1)C(C)C	42590822	343248454	/nfs/dbraw/zinc/24/84/54/343248454.db2.gz	BKFBMZWCSNDUEY-SNVBAGLBSA-N	0	0	196.269	3.067	10	0		AGAERN
CC[C@@H](Nc1ccc(C)cn1)C(C)C	42591195	343248527	/nfs/dbraw/zinc/24/85/27/343248527.db2.gz	VKFDECOQOBLCJN-LLVKDONJSA-N	0	0	192.306	3.237	10	0		AGAERN
CC[C@H](Nc1cccc(C)n1)C(C)C	42591057	343248589	/nfs/dbraw/zinc/24/85/89/343248589.db2.gz	PLHWBRCIWUIUAM-NSHDSACASA-N	0	0	192.306	3.237	10	0		AGAERN
CC[C@H](Nc1nc(C)cs1)C(C)C	42591169	343248632	/nfs/dbraw/zinc/24/86/32/343248632.db2.gz	HJIJNWUJUPGIIC-VIFPVBQESA-N	0	0	198.335	3.298	10	0		AGAERN
CC[C@H](Nc1ccc(C)cn1)C(C)C	42591192	343248666	/nfs/dbraw/zinc/24/86/66/343248666.db2.gz	VKFDECOQOBLCJN-NSHDSACASA-N	0	0	192.306	3.237	10	0		AGAERN
Cc1ccsc1[C@@H](O)CC(C)C	42730862	343248795	/nfs/dbraw/zinc/24/87/95/343248795.db2.gz	SNPOGJBTHMHMTC-VIFPVBQESA-N	0	0	184.304	3.136	10	0		AGAERN
Cc1ccsc1[C@@H](O)C(C)(C)C	42730888	343248827	/nfs/dbraw/zinc/24/88/27/343248827.db2.gz	BQROBYCBQJFWDZ-SECBINFHSA-N	0	0	184.304	3.136	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1sccc1C	42731252	343248869	/nfs/dbraw/zinc/24/88/69/343248869.db2.gz	KURSPBDLTAFZMJ-IONNQARKSA-N	0	0	184.304	3.136	10	0		AGAERN
Cc1ccsc1-c1ccccc1N	42735942	343248879	/nfs/dbraw/zinc/24/88/79/343248879.db2.gz	MOMYELRNDPNTSA-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
Cc1ccsc1[C@H](O)C1CCCC1	42731463	343248888	/nfs/dbraw/zinc/24/88/88/343248888.db2.gz	RAVSTEPEBZYCJO-SNVBAGLBSA-N	0	0	196.315	3.280	10	0		AGAERN
Cc1ccsc1C(=O)C1CCCC1	42728544	343248940	/nfs/dbraw/zinc/24/89/40/343248940.db2.gz	KQRZACPTPKUIQG-UHFFFAOYSA-N	0	0	194.299	3.429	10	0		AGAERN
Cc1ccsc1[C@@H](O)C1CCCC1	42731465	343248974	/nfs/dbraw/zinc/24/89/74/343248974.db2.gz	RAVSTEPEBZYCJO-JTQLQIEISA-N	0	0	196.315	3.280	10	0		AGAERN
Cc1ccsc1[C@H](O)C(C)(C)C	42730885	343249055	/nfs/dbraw/zinc/24/90/55/343249055.db2.gz	BQROBYCBQJFWDZ-VIFPVBQESA-N	0	0	184.304	3.136	10	0		AGAERN
CC[C@H](C)[C@H](O)c1sccc1C	42731247	343249083	/nfs/dbraw/zinc/24/90/83/343249083.db2.gz	KURSPBDLTAFZMJ-CBAPKCEASA-N	0	0	184.304	3.136	10	0		AGAERN
Cc1c(F)ccc2c(Cl)ccnc12	43321802	343251513	/nfs/dbraw/zinc/25/15/13/343251513.db2.gz	UEBSVPPIWTWSHI-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
OC1(C(F)(F)F)CCCCCCC1	43367921	343251627	/nfs/dbraw/zinc/25/16/27/343251627.db2.gz	IBDRVHRANKUWSW-UHFFFAOYSA-N	0	0	196.212	3.024	10	0		AGAERN
CCCC[C@H](CC)CC(C)=O	43456219	343252371	/nfs/dbraw/zinc/25/23/71/343252371.db2.gz	RHWPOPRPJXZLOV-JTQLQIEISA-N	0	0	156.269	3.182	10	0		AGAERN
CCCC[C@@H](CC)CC(C)=O	43456217	343252397	/nfs/dbraw/zinc/25/23/97/343252397.db2.gz	RHWPOPRPJXZLOV-SNVBAGLBSA-N	0	0	156.269	3.182	10	0		AGAERN
CCCC[C@H](C)C(OCC)OCC	43503059	343252761	/nfs/dbraw/zinc/25/27/61/343252761.db2.gz	LEXZBKJHOVTFDL-JTQLQIEISA-N	0	0	188.311	3.212	10	0		AGAERN
CCCC[C@@H](CCC)C(=O)OCC	43503650	343252789	/nfs/dbraw/zinc/25/27/89/343252789.db2.gz	LZLCNYLUGBHBQW-SNVBAGLBSA-N	0	0	186.295	3.156	10	0		AGAERN
CCCC[C@@H](C)C(OCC)OCC	43503058	343252793	/nfs/dbraw/zinc/25/27/93/343252793.db2.gz	LEXZBKJHOVTFDL-SNVBAGLBSA-N	0	0	188.311	3.212	10	0		AGAERN
CCCC[C@H](CCC)C(=O)OCC	43503652	343252811	/nfs/dbraw/zinc/25/28/11/343252811.db2.gz	LZLCNYLUGBHBQW-JTQLQIEISA-N	0	0	186.295	3.156	10	0		AGAERN
CCCC(C)(C)C(OCC)OCC	43503173	343252828	/nfs/dbraw/zinc/25/28/28/343252828.db2.gz	QXSYIKIHYPOFGJ-UHFFFAOYSA-N	0	0	188.311	3.212	10	0		AGAERN
Cc1ccnc(N[C@H](C)CC(C)C)c1	43561449	343255540	/nfs/dbraw/zinc/25/55/40/343255540.db2.gz	DECGZMWYJKUTPX-LLVKDONJSA-N	0	0	192.306	3.237	10	0		AGAERN
Cc1ccc(C(=O)CC2CCCC2)o1	43609074	343256420	/nfs/dbraw/zinc/25/64/20/343256420.db2.gz	SWZAEDLGQKVXLS-UHFFFAOYSA-N	0	0	192.258	3.351	10	0		AGAERN
Cc1cc(C(=O)CC(C)C)c(C)o1	43609397	343256527	/nfs/dbraw/zinc/25/65/27/343256527.db2.gz	UDKWCVWKIVAGLD-UHFFFAOYSA-N	0	0	180.247	3.125	10	0		AGAERN
Cc1ccc(C(=O)CC(C)(C)C)o1	43609226	343256567	/nfs/dbraw/zinc/25/65/67/343256567.db2.gz	VVPQYXICMXISMA-UHFFFAOYSA-N	0	0	180.247	3.207	10	0		AGAERN
C/C=C/C[C@H]1CCCCCC1=O	43650087	343258057	/nfs/dbraw/zinc/25/80/57/343258057.db2.gz	RJCDQENFOBMVQF-PBKGFPTLSA-N	0	0	166.264	3.102	10	0		AGAERN
CC(C)=CC[C@@H]1CCCCCC1=O	43650084	343258089	/nfs/dbraw/zinc/25/80/89/343258089.db2.gz	SRXLZJRQIIGLNK-NSHDSACASA-N	0	0	180.291	3.492	10	0		AGAERN
CC(C)=CC[C@H]1CCCCCC1=O	43650085	343258090	/nfs/dbraw/zinc/25/80/90/343258090.db2.gz	SRXLZJRQIIGLNK-LLVKDONJSA-N	0	0	180.291	3.492	10	0		AGAERN
C/C=C/C[C@@H]1Cc2ccccc2C1=O	43647222	343258099	/nfs/dbraw/zinc/25/80/99/343258099.db2.gz	KJHKPUAQPBUOEB-KXMPLOMGSA-N	0	0	186.254	3.008	10	0		AGAERN
C/C=C/C[C@@H]1CCCCCC1=O	43650086	343258101	/nfs/dbraw/zinc/25/81/01/343258101.db2.gz	RJCDQENFOBMVQF-VMZHVLLKSA-N	0	0	166.264	3.102	10	0		AGAERN
C/C=C/C[C@H]1Cc2ccccc2C1=O	43647224	343258103	/nfs/dbraw/zinc/25/81/03/343258103.db2.gz	KJHKPUAQPBUOEB-VUDBWIFFSA-N	0	0	186.254	3.008	10	0		AGAERN
CC(C)=CC[C@H]1C[C@@H](C)CCC1=O	43651927	343258127	/nfs/dbraw/zinc/25/81/27/343258127.db2.gz	IFIUXJCLMTZNFI-QWRGUYRKSA-N	0	0	180.291	3.348	10	0		AGAERN
CC(C)=CC[C@@H]1C[C@@H](C)CCC1=O	43651923	343258133	/nfs/dbraw/zinc/25/81/33/343258133.db2.gz	IFIUXJCLMTZNFI-WDEREUQCSA-N	0	0	180.291	3.348	10	0		AGAERN
CC(C)=CC[C@@H]1C[C@H](C)CCC1=O	43651921	343258192	/nfs/dbraw/zinc/25/81/92/343258192.db2.gz	IFIUXJCLMTZNFI-GHMZBOCLSA-N	0	0	180.291	3.348	10	0		AGAERN
CC(C)C[C@@H]1CCCCCC1=O	43649976	343258196	/nfs/dbraw/zinc/25/81/96/343258196.db2.gz	TWFITQUMFUAWJK-JTQLQIEISA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)=CC[C@H]1C[C@H](C)CCC1=O	43651925	343258207	/nfs/dbraw/zinc/25/82/07/343258207.db2.gz	IFIUXJCLMTZNFI-MNOVXSKESA-N	0	0	180.291	3.348	10	0		AGAERN
CC[C@H](O)CCc1cccc(Cl)c1	43657727	343258419	/nfs/dbraw/zinc/25/84/19/343258419.db2.gz	LSNRUUZTQVJYPL-NSHDSACASA-N	0	0	198.693	3.044	10	0		AGAERN
CC[C@@H](O)CCc1ccc(Cl)cc1	43657726	343258439	/nfs/dbraw/zinc/25/84/39/343258439.db2.gz	AIPAKJXTZHFRNR-LLVKDONJSA-N	0	0	198.693	3.044	10	0		AGAERN
CCC[C@H]1CCc2ccccc2[C@H]1O	43659550	343258456	/nfs/dbraw/zinc/25/84/56/343258456.db2.gz	SIEVKFAXEZECCU-AAEUAGOBSA-N	0	0	190.286	3.083	10	0		AGAERN
C/C=C/CC[C@@H](O)c1ccccc1	43656415	343258460	/nfs/dbraw/zinc/25/84/60/343258460.db2.gz	FPEIERQOQFOTSD-QAVQXKDTSA-N	0	0	176.259	3.076	10	0		AGAERN
CC[C@H](O)CCc1ccccc1Cl	43657731	343258477	/nfs/dbraw/zinc/25/84/77/343258477.db2.gz	RRDQQXQFNFOKBP-JTQLQIEISA-N	0	0	198.693	3.044	10	0		AGAERN
C/C=C/CC[C@H](O)c1ccccc1	43656413	343258498	/nfs/dbraw/zinc/25/84/98/343258498.db2.gz	FPEIERQOQFOTSD-JDGPPOGSSA-N	0	0	176.259	3.076	10	0		AGAERN
C[C@H]1C[C@H](C(C)(C)C)CCC1=O	43654048	343258556	/nfs/dbraw/zinc/25/85/56/343258556.db2.gz	LYCRAZFAMQOPDJ-DTWKUNHWSA-N	0	0	168.280	3.038	10	0		AGAERN
O[C@H]1CCC[C@H]1CC1CCCCC1	43656009	343258570	/nfs/dbraw/zinc/25/85/70/343258570.db2.gz	IZRURHHFYIGQRS-RYUDHWBXSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@H]1C[C@@H](C(C)(C)C)CCC1=O	43654050	343258583	/nfs/dbraw/zinc/25/85/83/343258583.db2.gz	LYCRAZFAMQOPDJ-IUCAKERBSA-N	0	0	168.280	3.038	10	0		AGAERN
O[C@@H]1CCC[C@@H]1CC1CCCCC1	43656015	343258610	/nfs/dbraw/zinc/25/86/10/343258610.db2.gz	IZRURHHFYIGQRS-VXGBXAGGSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(C)=CC[C@@H]1C[C@@H](C)CC[C@@H]1O	43660036	343258749	/nfs/dbraw/zinc/25/87/49/343258749.db2.gz	JEOFENPULWJHFC-TUAOUCFPSA-N	0	0	182.307	3.140	10	0		AGAERN
CC(C)=CC[C@@H]1C[C@H](C)CC[C@H]1O	43660038	343258732	/nfs/dbraw/zinc/25/87/32/343258732.db2.gz	JEOFENPULWJHFC-IJLUTSLNSA-N	0	0	182.307	3.140	10	0		AGAERN
CC[C@@H]1CC[C@H](O)[C@H](CC(C)C)C1	43660628	343258738	/nfs/dbraw/zinc/25/87/38/343258738.db2.gz	UEVHSOHSFQLEQE-UTUOFQBUSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)=CC[C@@H]1C[C@H](C)CC[C@@H]1O	43660034	343258744	/nfs/dbraw/zinc/25/87/44/343258744.db2.gz	JEOFENPULWJHFC-UTUOFQBUSA-N	0	0	182.307	3.140	10	0		AGAERN
CC(C)=CC[C@@H]1C[C@@H](C)CC[C@H]1O	43660039	343258780	/nfs/dbraw/zinc/25/87/80/343258780.db2.gz	JEOFENPULWJHFC-QJPTWQEYSA-N	0	0	182.307	3.140	10	0		AGAERN
Cc1cc(F)ccc1-c1nccs1	44122435	343260802	/nfs/dbraw/zinc/26/08/02/343260802.db2.gz	QOWXJRXKFMAOKW-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
COc1cc(Cl)c(C)c2[nH]ccc12	44185219	343261824	/nfs/dbraw/zinc/26/18/24/343261824.db2.gz	LFUJYGWXXIWIDG-UHFFFAOYSA-N	0	0	195.649	3.138	10	0	in-vitro	AGAERN
Cc1c(Cl)cc(F)c2cc[nH]c12	44184946	343261834	/nfs/dbraw/zinc/26/18/34/343261834.db2.gz	DGIBIIOVXBXUIZ-UHFFFAOYSA-N	0	0	183.613	3.269	10	0	in-vitro	AGAERN
CC(C)(C)Sc1ccccc1CO	44198418	343262182	/nfs/dbraw/zinc/26/21/82/343262182.db2.gz	PJLPKMMXQFSCHD-UHFFFAOYSA-N	0	0	196.315	3.070	10	0		AGAERN
CCc1cc(-c2ccccc2)ccn1	44459906	343265328	/nfs/dbraw/zinc/26/53/28/343265328.db2.gz	KQNRVXQOSWRNFL-UHFFFAOYSA-N	0	0	183.254	3.311	10	0		AGAERN
CC[C@@H]1CCC(=O)[C@@H](CC(C)C)C1	44468766	343265807	/nfs/dbraw/zinc/26/58/07/343265807.db2.gz	HDCCPXXMRCVBNK-MNOVXSKESA-N	0	0	182.307	3.428	10	0		AGAERN
Fc1c(Cl)cccc1NC1CCC1	44480554	343266578	/nfs/dbraw/zinc/26/65/78/343266578.db2.gz	FPWTWIOSPONUOL-UHFFFAOYSA-N	0	0	199.656	3.444	10	0		AGAERN
Fc1cc(NC2CCC2)ccc1Cl	44481339	343266721	/nfs/dbraw/zinc/26/67/21/343266721.db2.gz	WHTYJOYWRXEENT-UHFFFAOYSA-N	0	0	199.656	3.444	10	0		AGAERN
Fc1ccc(Cl)cc1NC1CCC1	44480635	343266735	/nfs/dbraw/zinc/26/67/35/343266735.db2.gz	FCCAAQJIISICID-UHFFFAOYSA-N	0	0	199.656	3.444	10	0		AGAERN
c1cc2cc(NC3CCC3)ccc2[nH]1	44480344	343266801	/nfs/dbraw/zinc/26/68/01/343266801.db2.gz	GNGJWSOHEUKKKC-UHFFFAOYSA-N	0	0	186.258	3.132	10	0		AGAERN
Fc1cc(Cl)ccc1NC1CCC1	44481267	343266814	/nfs/dbraw/zinc/26/68/14/343266814.db2.gz	WZRQBVRNVWJCAA-UHFFFAOYSA-N	0	0	199.656	3.444	10	0		AGAERN
Fc1ccc(NC2CCC2)c(Cl)c1	44480576	343266833	/nfs/dbraw/zinc/26/68/33/343266833.db2.gz	JHNVHMXWTWSUDU-UHFFFAOYSA-N	0	0	199.656	3.444	10	0		AGAERN
CC(C)c1coc2ccc(O)cc12	44564082	343267478	/nfs/dbraw/zinc/26/74/78/343267478.db2.gz	QDVFZAYPPNVADK-UHFFFAOYSA-N	0	0	176.215	3.262	10	0		AGAERN
Cc1cc(C)c2occc2c1	44709830	343267948	/nfs/dbraw/zinc/26/79/48/343267948.db2.gz	VWFSSXIIBGOKGR-UHFFFAOYSA-N	0	0	146.189	3.050	10	0		AGAERN
COc1c(Cl)cccc1C(C)C	44699982	343267972	/nfs/dbraw/zinc/26/79/72/343267972.db2.gz	LMSMRMARVGWYJE-UHFFFAOYSA-N	0	0	184.666	3.472	10	0		AGAERN
Cc1c(Cl)ccc2scnc12	44712722	343268101	/nfs/dbraw/zinc/26/81/01/343268101.db2.gz	UVZYWOVXRLXZGX-UHFFFAOYSA-N	0	0	183.663	3.258	10	0		AGAERN
Cc1cc(Cl)cc2scnc12	44713315	343268573	/nfs/dbraw/zinc/26/85/73/343268573.db2.gz	LTFDAHJAYKVQPQ-UHFFFAOYSA-N	0	0	183.663	3.258	10	0		AGAERN
CCCCOc1cc(F)ccc1OC	44830731	343270272	/nfs/dbraw/zinc/27/02/72/343270272.db2.gz	KASJUMUCQVVPAR-UHFFFAOYSA-N	0	0	198.237	3.013	10	0		AGAERN
CC(C)Oc1nc2ccccc2s1	45237284	343271590	/nfs/dbraw/zinc/27/15/90/343271590.db2.gz	ABFUXINEBLMLMY-UHFFFAOYSA-N	0	0	193.271	3.084	10	0		AGAERN
Cc1nc2c(ccc3occc32)s1	45236003	343271669	/nfs/dbraw/zinc/27/16/69/343271669.db2.gz	JXGWTAZXILJVDY-UHFFFAOYSA-N	0	0	189.239	3.351	10	0		AGAERN
CC(C)Cc1nc2ccccc2s1	45238012	343272040	/nfs/dbraw/zinc/27/20/40/343272040.db2.gz	IWFLFDPYBRUZBR-UHFFFAOYSA-N	0	0	191.299	3.495	10	0		AGAERN
Cc1cc(C)c(C2CC2)c(O)c1C	45809572	343272453	/nfs/dbraw/zinc/27/24/53/343272453.db2.gz	UQSLVKSZTGIHCG-UHFFFAOYSA-N	0	0	176.259	3.195	10	0		AGAERN
CCC(=O)CSc1ccc(C)cc1	50182004	343279511	/nfs/dbraw/zinc/27/95/11/343279511.db2.gz	AMXOMCYDXLALJK-UHFFFAOYSA-N	0	0	194.299	3.066	10	0		AGAERN
CC[C@H](C)c1nc(C2CC2)sc1N	50309168	343281318	/nfs/dbraw/zinc/28/13/18/343281318.db2.gz	XOOWTEVKHWDRLB-LURJTMIESA-N	0	0	196.319	3.116	10	0		AGAERN
CC[C@H](C)c1nc(C(C)C)sc1N	50308969	343281430	/nfs/dbraw/zinc/28/14/30/343281430.db2.gz	HMCZXHCKJWGKEN-ZETCQYMHSA-N	0	0	198.335	3.362	10	0		AGAERN
CC(C)Cc1nc(C(C)C)sc1N	50308954	343281439	/nfs/dbraw/zinc/28/14/39/343281439.db2.gz	LFBLKXGDQQBGEH-UHFFFAOYSA-N	0	0	198.335	3.047	10	0		AGAERN
CC(C)c1nc(C(C)(C)C)c(N)s1	50308972	343281535	/nfs/dbraw/zinc/28/15/35/343281535.db2.gz	ZYBLFMGBZAHWHC-UHFFFAOYSA-N	0	0	198.335	3.146	10	0		AGAERN
CCC[C@@H](O)C1=CCCCCC1	50329475	343281695	/nfs/dbraw/zinc/28/16/95/343281695.db2.gz	SDKDOTHETZFKNM-LLVKDONJSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1ccc([C@@H](O)C2=CCCC2)s1	50329193	343281700	/nfs/dbraw/zinc/28/17/00/343281700.db2.gz	KDODSDBVZINHIE-NSHDSACASA-N	0	0	194.299	3.200	10	0		AGAERN
O[C@H](C1=CCCCCC1)C1CCC1	50329635	343281726	/nfs/dbraw/zinc/28/17/26/343281726.db2.gz	OTSLAWQSHSHKBB-GFCCVEGCSA-N	0	0	180.291	3.038	10	0		AGAERN
CCC[C@H](O)C1=CCCCCC1	50329474	343281793	/nfs/dbraw/zinc/28/17/93/343281793.db2.gz	SDKDOTHETZFKNM-NSHDSACASA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1ccc([C@H](O)C2=CCCC2)s1	50329192	343281770	/nfs/dbraw/zinc/28/17/70/343281770.db2.gz	KDODSDBVZINHIE-LLVKDONJSA-N	0	0	194.299	3.200	10	0		AGAERN
O[C@@H](C1=CCCCCC1)C1CCC1	50329634	343281810	/nfs/dbraw/zinc/28/18/10/343281810.db2.gz	OTSLAWQSHSHKBB-LBPRGKRZSA-N	0	0	180.291	3.038	10	0		AGAERN
Cc1cc([C@@H](O)C2=CCCC2)c(C)o1	50329187	343281814	/nfs/dbraw/zinc/28/18/14/343281814.db2.gz	AWKYNICKTWAVAQ-LBPRGKRZSA-N	0	0	192.258	3.040	10	0		AGAERN
CC[C@H](C)C[C@H]1C[C@H](C)CCC1=O	50426028	343282514	/nfs/dbraw/zinc/28/25/14/343282514.db2.gz	IRPYAAXFSPDSEU-AXFHLTTASA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H](C)C[C@@H]1CCCCC1=O	50425995	343282534	/nfs/dbraw/zinc/28/25/34/343282534.db2.gz	XFLKBGDJSXWYIZ-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@H](C)C[C@H]1CCCCC1=O	50426000	343282588	/nfs/dbraw/zinc/28/25/88/343282588.db2.gz	XFLKBGDJSXWYIZ-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@H](C)C[C@@H]1C[C@H](C)CCC1=O	50426024	343282665	/nfs/dbraw/zinc/28/26/65/343282665.db2.gz	IRPYAAXFSPDSEU-HBNTYKKESA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H](C)[C@@H](C)Nc1ncccc1C	51041070	343288082	/nfs/dbraw/zinc/28/80/82/343288082.db2.gz	FAUVCOBXIXPMAN-GXSJLCMTSA-N	0	0	192.306	3.237	10	0		AGAERN
CC[C@H](Nc1ncccc1C)C(C)C	51041085	343288230	/nfs/dbraw/zinc/28/82/30/343288230.db2.gz	KQHLOGMMANUVEL-NSHDSACASA-N	0	0	192.306	3.237	10	0		AGAERN
CC[C@H](C)[C@H](C)Nc1ncccc1C	51041072	343288278	/nfs/dbraw/zinc/28/82/78/343288278.db2.gz	FAUVCOBXIXPMAN-ONGXEEELSA-N	0	0	192.306	3.237	10	0		AGAERN
CCc1ccc([C@@H]2C[C@@H]2C(C)=O)s1	51716756	343292079	/nfs/dbraw/zinc/29/20/79/343292079.db2.gz	NUSGYXKUKFRQJE-NXEZZACHSA-N	0	0	194.299	3.003	10	0		AGAERN
CCc1ccc(C(=O)C2CCCC2)o1	51726188	343292263	/nfs/dbraw/zinc/29/22/63/343292263.db2.gz	QOYSSAPNFRWRRQ-UHFFFAOYSA-N	0	0	192.258	3.215	10	0		AGAERN
CCc1ccc([C@H]2C[C@H]2C(C)=O)s1	51716761	343292275	/nfs/dbraw/zinc/29/22/75/343292275.db2.gz	NUSGYXKUKFRQJE-UWVGGRQHSA-N	0	0	194.299	3.003	10	0		AGAERN
CCc1ccc([C@@H]2C[C@H]2C(C)=O)s1	51716760	343292317	/nfs/dbraw/zinc/29/23/17/343292317.db2.gz	NUSGYXKUKFRQJE-VHSXEESVSA-N	0	0	194.299	3.003	10	0		AGAERN
CCc1ccc(C(=O)C(C)(C)C)o1	51726137	343292322	/nfs/dbraw/zinc/29/23/22/343292322.db2.gz	ZOHOKDURJVMADD-UHFFFAOYSA-N	0	0	180.247	3.071	10	0		AGAERN
CCc1ccc(-c2ccc(N)cc2)o1	51728410	343292648	/nfs/dbraw/zinc/29/26/48/343292648.db2.gz	NWQZEIMKLIMLRK-UHFFFAOYSA-N	0	0	187.242	3.091	10	0		AGAERN
CC[C@@H](C)Sc1cc(F)ccc1N	52122406	343300347	/nfs/dbraw/zinc/30/03/47/343300347.db2.gz	BLUWYPIQZWYKRL-SSDOTTSWSA-N	0	0	199.294	3.299	10	0		AGAERN
CCC(C)(C)Nc1cc(F)ccc1N	52119423	343300434	/nfs/dbraw/zinc/30/04/34/343300434.db2.gz	TXEGADWDHVJLJR-UHFFFAOYSA-N	0	0	196.269	3.008	10	0		AGAERN
CCC(CC)Nc1cc(F)ccc1N	52119063	343300443	/nfs/dbraw/zinc/30/04/43/343300443.db2.gz	WTZBGXIYYPZVMS-UHFFFAOYSA-N	0	0	196.269	3.008	10	0		AGAERN
CC(C)CSc1cc(F)ccc1N	52122422	343300458	/nfs/dbraw/zinc/30/04/58/343300458.db2.gz	RLIJKWCWJFIJRC-UHFFFAOYSA-N	0	0	199.294	3.156	10	0		AGAERN
Cc1ccc(F)cc1[C@@H](O)CC(C)C	52138569	343301407	/nfs/dbraw/zinc/30/14/07/343301407.db2.gz	SZBBASKOWWFPIQ-LBPRGKRZSA-N	0	0	196.265	3.214	10	0		AGAERN
Cc1ccc(F)cc1[C@H](O)CC(C)C	52138566	343301479	/nfs/dbraw/zinc/30/14/79/343301479.db2.gz	SZBBASKOWWFPIQ-GFCCVEGCSA-N	0	0	196.265	3.214	10	0		AGAERN
c1ccc2nc(NC3CCC3)ccc2c1	52211600	343302245	/nfs/dbraw/zinc/30/22/45/343302245.db2.gz	CNRPMQQBVOXIIS-UHFFFAOYSA-N	0	0	198.269	3.199	10	0		AGAERN
Cc1ccc([C@@H](O)C(C)(C)C)cc1F	52231732	343302648	/nfs/dbraw/zinc/30/26/48/343302648.db2.gz	QIXOWQSJOONVMG-LLVKDONJSA-N	0	0	196.265	3.214	10	0		AGAERN
Cc1ccc(F)cc1[C@H](O)C(C)(C)C	52231815	343302650	/nfs/dbraw/zinc/30/26/50/343302650.db2.gz	SXFLMVILANWQRA-NSHDSACASA-N	0	0	196.265	3.214	10	0		AGAERN
C[C@H]1CCC[C@H](C(=O)C(C)(C)C)C1	52231665	343302685	/nfs/dbraw/zinc/30/26/85/343302685.db2.gz	MSAHPZVQOBEFJE-UWVGGRQHSA-N	0	0	182.307	3.428	10	0		AGAERN
Cc1ccc(F)cc1C(=O)C(C)(C)C	52231679	343302703	/nfs/dbraw/zinc/30/27/03/343302703.db2.gz	PHWQMGKJVNYJGQ-UHFFFAOYSA-N	0	0	194.249	3.363	10	0		AGAERN
CC1CCC([C@@H](O)C(C)(C)C)CC1	52231807	343302709	/nfs/dbraw/zinc/30/27/09/343302709.db2.gz	DTRDAVPAOCAEEK-VQXHTEKXSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@H]1C[C@H]1Nc1ccc2ccccc2n1	52291729	343304812	/nfs/dbraw/zinc/30/48/12/343304812.db2.gz	ZOYWZOXKYFVPBM-JOYOIKCWSA-N	0	0	198.269	3.055	10	0		AGAERN
C[C@@H]1C[C@H]1Nc1ccc2ccccc2n1	52291727	343304907	/nfs/dbraw/zinc/30/49/07/343304907.db2.gz	ZOYWZOXKYFVPBM-BXKDBHETSA-N	0	0	198.269	3.055	10	0		AGAERN
C[C@H]1C[C@@H]1Nc1ccc2ccccc2n1	52291724	343304948	/nfs/dbraw/zinc/30/49/48/343304948.db2.gz	ZOYWZOXKYFVPBM-CABZTGNLSA-N	0	0	198.269	3.055	10	0		AGAERN
C[C@@H]1C[C@@H]1Nc1ccc2ccccc2n1	52291720	343305035	/nfs/dbraw/zinc/30/50/35/343305035.db2.gz	ZOYWZOXKYFVPBM-SKDRFNHKSA-N	0	0	198.269	3.055	10	0		AGAERN
CC(C)c1cc(=S)n(C(C)(C)C)[nH]1	52305162	343305709	/nfs/dbraw/zinc/30/57/09/343305709.db2.gz	XURDVFKHDYRBSQ-UHFFFAOYSA-N	0	0	198.335	3.050	10	0		AGAERN
CC(C)n1[nH]c(C(C)(C)C)cc1=S	52305590	343305747	/nfs/dbraw/zinc/30/57/47/343305747.db2.gz	ZSFZWUCJQXNIMO-UHFFFAOYSA-N	0	0	198.335	3.050	10	0		AGAERN
CC(C)(C)OCc1cccnc1Cl	52725358	343306951	/nfs/dbraw/zinc/30/69/51/343306951.db2.gz	MNUFRMWUQUIGPP-UHFFFAOYSA-N	0	0	199.681	3.050	10	0		AGAERN
CC(C)(C)OCc1ccnc(Cl)c1	52725376	343307035	/nfs/dbraw/zinc/30/70/35/343307035.db2.gz	GDEWEZAOGAAJIE-UHFFFAOYSA-N	0	0	199.681	3.050	10	0		AGAERN
CC[C@H](C)[C@@](C)(O)c1ccccc1F	52887881	343311536	/nfs/dbraw/zinc/31/15/36/343311536.db2.gz	KTDJRMNSQBKDQM-JOYOIKCWSA-N	0	0	196.265	3.079	10	0		AGAERN
CC[C@@](O)(c1ccccc1F)C(C)C	52887882	343311546	/nfs/dbraw/zinc/31/15/46/343311546.db2.gz	XEULVIOSBSWYNA-LBPRGKRZSA-N	0	0	196.265	3.079	10	0		AGAERN
CC[C@@H](C)[C@@](C)(O)c1ccccc1F	52887880	343311578	/nfs/dbraw/zinc/31/15/78/343311578.db2.gz	KTDJRMNSQBKDQM-BXKDBHETSA-N	0	0	196.265	3.079	10	0		AGAERN
CC[C@@H](C)[C@](C)(O)c1ccccc1F	52887878	343311588	/nfs/dbraw/zinc/31/15/88/343311588.db2.gz	KTDJRMNSQBKDQM-SKDRFNHKSA-N	0	0	196.265	3.079	10	0		AGAERN
CC[C@](O)(c1ccccc1F)C(C)C	52887883	343311601	/nfs/dbraw/zinc/31/16/01/343311601.db2.gz	XEULVIOSBSWYNA-GFCCVEGCSA-N	0	0	196.265	3.079	10	0		AGAERN
Cc1ccc(Cn2c(C)ccc2C)o1	53041764	343312494	/nfs/dbraw/zinc/31/24/94/343312494.db2.gz	RKTAHCXNJSXUKX-UHFFFAOYSA-N	0	0	189.258	3.055	10	0		AGAERN
Cc1ccc(C)c(C2(O)CCCC2)c1	53303000	343313980	/nfs/dbraw/zinc/31/39/80/343313980.db2.gz	ZSVRCDZLBNWTFH-UHFFFAOYSA-N	0	0	190.286	3.065	10	0		AGAERN
Cc1cccc(C2(O)CCCC2)c1C	53328182	343313995	/nfs/dbraw/zinc/31/39/95/343313995.db2.gz	ISEBQYGXECOLNR-UHFFFAOYSA-N	0	0	190.286	3.065	10	0		AGAERN
CCCc1ccc2oc(Cl)nc2c1	53333136	343314290	/nfs/dbraw/zinc/31/42/90/343314290.db2.gz	YOJUDDUPMWDUGQ-UHFFFAOYSA-N	0	0	195.649	3.434	10	0		AGAERN
O[C@H](C1=CCCC1)C1CCCCCC1	53716050	343315185	/nfs/dbraw/zinc/31/51/85/343315185.db2.gz	ZLOTZUCABFUQEO-ZDUSSCGKSA-N	0	0	194.318	3.428	10	0		AGAERN
O[C@@H](C1=CCCC1)C1CCCCCC1	53716052	343315223	/nfs/dbraw/zinc/31/52/23/343315223.db2.gz	ZLOTZUCABFUQEO-CYBMUJFWSA-N	0	0	194.318	3.428	10	0		AGAERN
Cc1c(C2CCCCCC2)noc1N	53715141	343315271	/nfs/dbraw/zinc/31/52/71/343315271.db2.gz	WVDUBPVJYNRNIV-UHFFFAOYSA-N	0	0	194.278	3.003	10	0		AGAERN
CCC(CC)Nc1cc(N)ccc1C	53734525	343315468	/nfs/dbraw/zinc/31/54/68/343315468.db2.gz	HTKSEJLYAGIBON-UHFFFAOYSA-N	0	0	192.306	3.178	10	0		AGAERN
CCC[C@@H](C)Nc1cc(N)ccc1C	53734545	343315545	/nfs/dbraw/zinc/31/55/45/343315545.db2.gz	BBPWLRIKGSEVMB-SNVBAGLBSA-N	0	0	192.306	3.178	10	0		AGAERN
CC[C@@H](C)Sc1cc(N)ccc1C	53735689	343315622	/nfs/dbraw/zinc/31/56/22/343315622.db2.gz	VBFMZBBRDIKPGA-SECBINFHSA-N	0	0	195.331	3.468	10	0		AGAERN
Cc1ccc(N)cc1SC(C)(C)C	53735692	343315556	/nfs/dbraw/zinc/31/55/56/343315556.db2.gz	BHGOUUXODULZFC-UHFFFAOYSA-N	0	0	195.331	3.468	10	0		AGAERN
Cc1ccc(N)cc1N[C@H](C)C(C)C	53734637	343315580	/nfs/dbraw/zinc/31/55/80/343315580.db2.gz	UOPFCWUGFDHRFF-SNVBAGLBSA-N	0	0	192.306	3.034	10	0		AGAERN
Cc1ccc(N)cc1N[C@@H](C)C(C)C	53734636	343315584	/nfs/dbraw/zinc/31/55/84/343315584.db2.gz	UOPFCWUGFDHRFF-JTQLQIEISA-N	0	0	192.306	3.034	10	0		AGAERN
CCCSc1cc(N)ccc1C	53735693	343315596	/nfs/dbraw/zinc/31/55/96/343315596.db2.gz	MMWRSVJQQFDMIH-UHFFFAOYSA-N	0	0	181.304	3.079	10	0		AGAERN
CC[C@H](C)Sc1cc(N)ccc1C	53735690	343315665	/nfs/dbraw/zinc/31/56/65/343315665.db2.gz	VBFMZBBRDIKPGA-VIFPVBQESA-N	0	0	195.331	3.468	10	0		AGAERN
Cc1ccc(N)cc1SC(C)C	53735714	343315682	/nfs/dbraw/zinc/31/56/82/343315682.db2.gz	RMAFXOYGDVTGAZ-UHFFFAOYSA-N	0	0	181.304	3.078	10	0		AGAERN
CCC[C@H](C)Nc1cc(N)ccc1C	53734546	343315762	/nfs/dbraw/zinc/31/57/62/343315762.db2.gz	BBPWLRIKGSEVMB-JTQLQIEISA-N	0	0	192.306	3.178	10	0		AGAERN
CCCCCCC(=O)CC(F)(F)F	53767743	343316184	/nfs/dbraw/zinc/31/61/84/343316184.db2.gz	WKUKUBVLMICYHG-UHFFFAOYSA-N	0	0	196.212	3.478	10	0		AGAERN
O[C@@H](CC1CCCC1)c1ccsc1	53783225	343316203	/nfs/dbraw/zinc/31/62/03/343316203.db2.gz	YSYUFZHFBBKMOY-NSHDSACASA-N	0	0	196.315	3.362	10	0		AGAERN
O[C@@H]1CCCCC[C@@H]1C1CCCC1	53751564	343316225	/nfs/dbraw/zinc/31/62/25/343316225.db2.gz	NQQHXWPXLYOLMG-VXGBXAGGSA-N	0	0	182.307	3.118	10	0		AGAERN
O[C@H]1CCCCC[C@H]1C1CCCC1	53751569	343316239	/nfs/dbraw/zinc/31/62/39/343316239.db2.gz	NQQHXWPXLYOLMG-RYUDHWBXSA-N	0	0	182.307	3.118	10	0		AGAERN
O[C@H](CC1CCCC1)c1ccsc1	53783224	343316316	/nfs/dbraw/zinc/31/63/16/343316316.db2.gz	YSYUFZHFBBKMOY-LLVKDONJSA-N	0	0	196.315	3.362	10	0		AGAERN
CCCC(=O)CC1CCCCC1	53765945	343316322	/nfs/dbraw/zinc/31/63/22/343316322.db2.gz	XFPJUADEYUQHAT-UHFFFAOYSA-N	0	0	168.280	3.326	10	0		AGAERN
O[C@H]1CCCCC[C@@H]1C1CCCC1	53751568	343316406	/nfs/dbraw/zinc/31/64/06/343316406.db2.gz	NQQHXWPXLYOLMG-NEPJUHHUSA-N	0	0	182.307	3.118	10	0		AGAERN
CCCC[C@@H](O)c1cc(F)ccc1C	53787409	343316522	/nfs/dbraw/zinc/31/65/22/343316522.db2.gz	VGSLXFLPFQFBEY-GFCCVEGCSA-N	0	0	196.265	3.358	10	0		AGAERN
CCC[C@@H](O)CCCc1ccccc1	53784658	343316529	/nfs/dbraw/zinc/31/65/29/343316529.db2.gz	JTYLVUBMVOYUJA-CYBMUJFWSA-N	0	0	192.302	3.170	10	0		AGAERN
CCC[C@@H](O)CC1CCCCC1	53784610	343316624	/nfs/dbraw/zinc/31/66/24/343316624.db2.gz	KTESMBGOZJVQDT-LLVKDONJSA-N	0	0	170.296	3.118	10	0		AGAERN
CCCC[C@H](O)Cc1ccc(C)cc1	53787328	343316640	/nfs/dbraw/zinc/31/66/40/343316640.db2.gz	BURJKARTWMOJRN-ZDUSSCGKSA-N	0	0	192.302	3.089	10	0		AGAERN
CCCC[C@H](O)c1cc(F)ccc1C	53787408	343316660	/nfs/dbraw/zinc/31/66/60/343316660.db2.gz	VGSLXFLPFQFBEY-LBPRGKRZSA-N	0	0	196.265	3.358	10	0		AGAERN
CCC[C@H](O)CCCc1ccccc1	53784657	343316662	/nfs/dbraw/zinc/31/66/62/343316662.db2.gz	JTYLVUBMVOYUJA-ZDUSSCGKSA-N	0	0	192.302	3.170	10	0		AGAERN
CCC[C@H](O)CC1CCCCC1	53784609	343316672	/nfs/dbraw/zinc/31/66/72/343316672.db2.gz	KTESMBGOZJVQDT-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
C[C@H](Nc1cccnc1)C1CCCC1	54077263	343317448	/nfs/dbraw/zinc/31/74/48/343317448.db2.gz	LHZZVPPCQXMGFF-JTQLQIEISA-N	0	0	190.290	3.072	10	0		AGAERN
CCC(C)(C)C(=O)c1cccs1	54402077	343322949	/nfs/dbraw/zinc/32/29/49/343322949.db2.gz	SWSORZOSUUJJCW-UHFFFAOYSA-N	0	0	182.288	3.367	10	0		AGAERN
CCC(C)(C)c1nc2ccccc2[nH]1	54403677	343323121	/nfs/dbraw/zinc/32/31/21/343323121.db2.gz	CKDGYODFYRNUOQ-UHFFFAOYSA-N	0	0	188.274	3.251	10	0		AGAERN
CCC(C)(C)[C@H](O)C1=CCCCC1	54404174	343323244	/nfs/dbraw/zinc/32/32/44/343323244.db2.gz	JOIGQNWFXXBXDM-LLVKDONJSA-N	0	0	182.307	3.284	10	0		AGAERN
CCC(C)(C)[C@H](O)c1ccc(F)cc1	54404026	343323259	/nfs/dbraw/zinc/32/32/59/343323259.db2.gz	JBLFDJKRSXEUKR-LLVKDONJSA-N	0	0	196.265	3.295	10	0		AGAERN
CCC(C)(C)[C@@H](O)c1cccs1	54404063	343323286	/nfs/dbraw/zinc/32/32/86/343323286.db2.gz	UGHDVFWJVNKNAN-VIFPVBQESA-N	0	0	184.304	3.218	10	0		AGAERN
CCC(C)(C)[C@H](O)c1cccs1	54404062	343323291	/nfs/dbraw/zinc/32/32/91/343323291.db2.gz	UGHDVFWJVNKNAN-SECBINFHSA-N	0	0	184.304	3.218	10	0		AGAERN
CCC(C)(C)[C@@H](O)C1=CCCCC1	54404175	343323367	/nfs/dbraw/zinc/32/33/67/343323367.db2.gz	JOIGQNWFXXBXDM-NSHDSACASA-N	0	0	182.307	3.284	10	0		AGAERN
CCC(C)(C)[C@@H](O)c1ccc(F)cc1	54404027	343323393	/nfs/dbraw/zinc/32/33/93/343323393.db2.gz	JBLFDJKRSXEUKR-NSHDSACASA-N	0	0	196.265	3.295	10	0		AGAERN
CCC(C)(C)[C@@H](O)c1ccc(C)cc1	54404035	343323420	/nfs/dbraw/zinc/32/34/20/343323420.db2.gz	HUZBKKUGDBSBPN-LBPRGKRZSA-N	0	0	192.302	3.465	10	0		AGAERN
CCC(C)(C)[C@H](O)c1ccc(C)cc1	54404034	343323439	/nfs/dbraw/zinc/32/34/39/343323439.db2.gz	HUZBKKUGDBSBPN-GFCCVEGCSA-N	0	0	192.302	3.465	10	0		AGAERN
CC[C@@H](C)CNc1ccc(C)cc1N	54466755	343324513	/nfs/dbraw/zinc/32/45/13/343324513.db2.gz	RZYZQKSEPSNZBE-SECBINFHSA-N	0	0	192.306	3.035	10	0		AGAERN
CC[C@H](C)CNc1ccc(N)cc1C	54466749	343324669	/nfs/dbraw/zinc/32/46/69/343324669.db2.gz	CYAYWHJGLIIITN-VIFPVBQESA-N	0	0	192.306	3.035	10	0		AGAERN
CC[C@@H](C)CNc1ccc(N)cc1C	54466747	343324708	/nfs/dbraw/zinc/32/47/08/343324708.db2.gz	CYAYWHJGLIIITN-SECBINFHSA-N	0	0	192.306	3.035	10	0		AGAERN
CC[C@H](C)CNc1ccc(C)cc1N	54466757	343324870	/nfs/dbraw/zinc/32/48/70/343324870.db2.gz	RZYZQKSEPSNZBE-VIFPVBQESA-N	0	0	192.306	3.035	10	0		AGAERN
CC[C@@H]1C[C@H](C(C)C)CCC1=O	54629861	343326894	/nfs/dbraw/zinc/32/68/94/343326894.db2.gz	ABLPZDHHGCDMBH-NXEZZACHSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@H]1C[C@H](C(C)C)CCC1=O	54629862	343326897	/nfs/dbraw/zinc/32/68/97/343326897.db2.gz	ABLPZDHHGCDMBH-VHSXEESVSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@@H]1C[C@@H](C(C)C)CCC1=O	54629864	343326976	/nfs/dbraw/zinc/32/69/76/343326976.db2.gz	ABLPZDHHGCDMBH-ZJUUUORDSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC[C@@H]1C[C@H](C(C)C)CC[C@@H]1O	54631397	343327044	/nfs/dbraw/zinc/32/70/44/343327044.db2.gz	FZRVSYYGUBVPOW-UTUOFQBUSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H]1C[C@@H](C(C)C)CCC1=O	54629866	343327158	/nfs/dbraw/zinc/32/71/58/343327158.db2.gz	ABLPZDHHGCDMBH-UWVGGRQHSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1O	54631400	343327167	/nfs/dbraw/zinc/32/71/67/343327167.db2.gz	FZRVSYYGUBVPOW-TUAOUCFPSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)(C)C1CCC(C2(O)CC2)CC1	54668320	343327378	/nfs/dbraw/zinc/32/73/78/343327378.db2.gz	KHADLQSXAHVBOX-UHFFFAOYSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@H](Nc1ncccc1F)C(C)C	54700772	343327810	/nfs/dbraw/zinc/32/78/10/343327810.db2.gz	MPKHZCYPVHMVPQ-SNVBAGLBSA-N	0	0	196.269	3.067	10	0		AGAERN
CC[C@H](Nc1ncccc1F)C(C)C	54700771	343327914	/nfs/dbraw/zinc/32/79/14/343327914.db2.gz	MPKHZCYPVHMVPQ-JTQLQIEISA-N	0	0	196.269	3.067	10	0		AGAERN
CCCc1ccc2c(c1)[C@H](O)CCC2	54743068	343328532	/nfs/dbraw/zinc/32/85/32/343328532.db2.gz	UTGUATBTZYPATO-CYBMUJFWSA-N	0	0	190.286	3.009	10	0		AGAERN
CC(C)n1cc(-c2ccccc2)cn1	54937815	343332412	/nfs/dbraw/zinc/33/24/12/343332412.db2.gz	YHFZRHKFQCOSSG-UHFFFAOYSA-N	0	0	186.258	3.131	10	0		AGAERN
Clc1cccc([C@H]2CO2)c1Cl	55027096	343333029	/nfs/dbraw/zinc/33/30/29/343333029.db2.gz	JSSIVJGRLZMOJX-SSDOTTSWSA-N	0	0	189.041	3.065	10	0		AGAERN
CCC(O)(CC)c1cc(C)ccc1F	55191943	343334650	/nfs/dbraw/zinc/33/46/50/343334650.db2.gz	AZUWVRKFTMXVPT-UHFFFAOYSA-N	0	0	196.265	3.142	10	0		AGAERN
Cc1ccc(F)c(C(=O)C(C)(C)C)c1	55199576	343334838	/nfs/dbraw/zinc/33/48/38/343334838.db2.gz	XVALDEDXNVDEKT-UHFFFAOYSA-N	0	0	194.249	3.363	10	0		AGAERN
Cc1cc(F)ccc1[C@H](O)C(C)(C)C	55202254	343334842	/nfs/dbraw/zinc/33/48/42/343334842.db2.gz	XTTCJWNWDDRFNY-NSHDSACASA-N	0	0	196.265	3.214	10	0		AGAERN
Cc1ccc(F)c([C@H](O)C(C)(C)C)c1	55202259	343334933	/nfs/dbraw/zinc/33/49/33/343334933.db2.gz	ZPAJAAWKVAAJMO-NSHDSACASA-N	0	0	196.265	3.214	10	0		AGAERN
Cc1ccc(F)c([C@@H](O)C(C)(C)C)c1	55202263	343334940	/nfs/dbraw/zinc/33/49/40/343334940.db2.gz	ZPAJAAWKVAAJMO-LLVKDONJSA-N	0	0	196.265	3.214	10	0		AGAERN
Cc1ccc([C@H]2CCCC2=O)c(C)c1	55236262	343335208	/nfs/dbraw/zinc/33/52/08/343335208.db2.gz	ZFJNGRAPQDOOMY-GFCCVEGCSA-N	0	0	188.270	3.140	10	0		AGAERN
Cc1ccc([C@@H]2CCCC2=O)c(C)c1	55236258	343335316	/nfs/dbraw/zinc/33/53/16/343335316.db2.gz	ZFJNGRAPQDOOMY-LBPRGKRZSA-N	0	0	188.270	3.140	10	0		AGAERN
Cc1ccc(C2(O)CCCC2)c(C)c1	55235247	343335329	/nfs/dbraw/zinc/33/53/29/343335329.db2.gz	MMVXZSKSNBKMDK-UHFFFAOYSA-N	0	0	190.286	3.065	10	0		AGAERN
O=C1CCCC[C@@H]1SC1CCCC1	57406873	343337095	/nfs/dbraw/zinc/33/70/95/343337095.db2.gz	ZCJSJSNLBKKDQK-NSHDSACASA-N	0	0	198.331	3.174	10	0		AGAERN
O=C1CCCC[C@H]1SC1CCCC1	57406872	343337147	/nfs/dbraw/zinc/33/71/47/343337147.db2.gz	ZCJSJSNLBKKDQK-LLVKDONJSA-N	0	0	198.331	3.174	10	0		AGAERN
CCc1nc(NCC(C)C)sc1C	58395681	343339512	/nfs/dbraw/zinc/33/95/12/343339512.db2.gz	LDHOGRUPIURBIY-UHFFFAOYSA-N	0	0	198.335	3.082	10	0		AGAERN
CC(C)c1ccc2[nH]cc(C=O)c2c1	58823850	343341110	/nfs/dbraw/zinc/34/11/10/343341110.db2.gz	UUSPREYLUMGLEJ-UHFFFAOYSA-N	0	0	187.242	3.104	10	0		AGAERN
Cc1ccc(OCc2ccccc2)cc1	59024101	343341749	/nfs/dbraw/zinc/34/17/49/343341749.db2.gz	YETJFMHWXJLCKB-UHFFFAOYSA-N	0	0	197.257	3.448	10	0		AGAERN
C(=C/c1ccccn1)\c1ccsc1	59075458	343341947	/nfs/dbraw/zinc/34/19/47/343341947.db2.gz	ZDXLQLIJNBNZAY-SNAWJCMRSA-N	0	0	187.267	3.314	10	0		AGAERN
CCc1cc(Cl)c(N)cc1Cl	59144057	343342079	/nfs/dbraw/zinc/34/20/79/343342079.db2.gz	DKLUBYIAONUMRE-UHFFFAOYSA-N	0	0	190.073	3.138	10	0		AGAERN
Cc1ccc(F)c2ccccc12	59101838	343342121	/nfs/dbraw/zinc/34/21/21/343342121.db2.gz	PLMASSIYHVIVTO-UHFFFAOYSA-N	0	0	160.191	3.287	10	0		AGAERN
CC1=CCC(C(C)(C)C)=C1	59114403	343342239	/nfs/dbraw/zinc/34/22/39/343342239.db2.gz	DEOPMCBOUWSRHC-UHFFFAOYSA-N	0	0	136.238	3.309	10	0		AGAERN
C=C=C(C)c1ccc(F)cc1	59145241	343342464	/nfs/dbraw/zinc/34/24/64/343342464.db2.gz	KYTUTKUVSBTLFG-UHFFFAOYSA-N	0	0	148.180	3.014	10	0		AGAERN
CC(C)c1ccc(C(C)C)c(N)c1N	59174248	343342481	/nfs/dbraw/zinc/34/24/81/343342481.db2.gz	RPCRTKRBGNCRLX-UHFFFAOYSA-N	0	0	192.306	3.098	10	0		AGAERN
CC(=O)CCCCC(C)(Cl)Cl	59200630	343342943	/nfs/dbraw/zinc/34/29/43/343342943.db2.gz	LPEQBPVPZWHNKS-UHFFFAOYSA-N	0	0	197.105	3.330	10	0		AGAERN
C[C@@H]1C(=O)CC[C@@H]1C1CCCCC1	59201615	343343037	/nfs/dbraw/zinc/34/30/37/343343037.db2.gz	JHUVBWOQNFOVPL-ONGXEEELSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@H]1C(=O)CC[C@H]1C1CCCCC1	59201607	343343139	/nfs/dbraw/zinc/34/31/39/343343139.db2.gz	JHUVBWOQNFOVPL-MWLCHTKSSA-N	0	0	180.291	3.182	10	0		AGAERN
F/C(Cl)=C\c1ccccc1	59316401	343343734	/nfs/dbraw/zinc/34/37/34/343343734.db2.gz	DNOFXVCVFOOHTJ-VURMDHGXSA-N	0	0	156.587	3.193	10	0		AGAERN
Fc1cc(F)c2ccccc2c1	59336510	343343947	/nfs/dbraw/zinc/34/39/47/343343947.db2.gz	VLVCVSDHHLWKKT-UHFFFAOYSA-N	0	0	164.154	3.118	10	0		AGAERN
Cc1cc(C)c2c(C)c(C)[nH]c2c1	59330819	343344002	/nfs/dbraw/zinc/34/40/02/343344002.db2.gz	ZLYAWPSZMNYGSV-UHFFFAOYSA-N	0	0	173.259	3.402	10	0		AGAERN
C=Cc1ccc(C(=O)C(C)C)cc1	59343917	343344085	/nfs/dbraw/zinc/34/40/85/343344085.db2.gz	HOLBZVOMJXOIPE-UHFFFAOYSA-N	0	0	174.243	3.168	10	0		AGAERN
C/C=C/c1ccccc1Br	59394221	343344420	/nfs/dbraw/zinc/34/44/20/343344420.db2.gz	IPDBNWOEFLIODE-GORDUTHDSA-N	0	0	197.075	3.482	10	0		AGAERN
Cc1cc(Cl)ccc1Cl	59436410	343344622	/nfs/dbraw/zinc/34/46/22/343344622.db2.gz	JMAGFKVCYQHIKA-UHFFFAOYSA-N	0	0	160.023	3.176	10	0		AGAERN
CC(C)c1[nH]cnc1-c1ccccc1	59430320	343344629	/nfs/dbraw/zinc/34/46/29/343344629.db2.gz	YMEVZCCJJUTBRJ-UHFFFAOYSA-N	0	0	186.258	3.200	10	0		AGAERN
Cc1ccc(Cl)c(Cl)c1	59447641	343345031	/nfs/dbraw/zinc/34/50/31/343345031.db2.gz	GNYCSQZXIVKSBQ-UHFFFAOYSA-N	0	0	160.023	3.176	10	0		AGAERN
CCc1c(Cl)cc(O)cc1Cl	59557344	343345875	/nfs/dbraw/zinc/34/58/75/343345875.db2.gz	HKSIKNWFLXKKPJ-UHFFFAOYSA-N	0	0	191.057	3.261	10	0		AGAERN
CCSCC(CC)CC	59563763	343345894	/nfs/dbraw/zinc/34/58/94/343345894.db2.gz	CWANDYMAIRSYTP-UHFFFAOYSA-N	0	0	146.299	3.176	10	0		AGAERN
CCCCOCC1CCCCC1	59592001	343346159	/nfs/dbraw/zinc/34/61/59/343346159.db2.gz	PYHVZJCWFXSVEX-UHFFFAOYSA-N	0	0	170.296	3.383	10	0		AGAERN
Cc1cc(C)c(Cl)c(F)c1	59712488	343347235	/nfs/dbraw/zinc/34/72/35/343347235.db2.gz	XVRFEUWQRMGZMX-UHFFFAOYSA-N	0	0	158.603	3.096	10	0		AGAERN
CCCC[C@H]1CCCC[C@H](O)C1	59787760	343347462	/nfs/dbraw/zinc/34/74/62/343347462.db2.gz	PVYNEBINRXDMCH-QWRGUYRKSA-N	0	0	170.296	3.118	10	0		AGAERN
CCCC[C@H]1CCCC[C@@H](O)C1	59787766	343347469	/nfs/dbraw/zinc/34/74/69/343347469.db2.gz	PVYNEBINRXDMCH-WDEREUQCSA-N	0	0	170.296	3.118	10	0		AGAERN
CCCC[C@@H]1CCCC[C@H](O)C1	59787757	343347498	/nfs/dbraw/zinc/34/74/98/343347498.db2.gz	PVYNEBINRXDMCH-MNOVXSKESA-N	0	0	170.296	3.118	10	0		AGAERN
CCCC[C@@H]1CCCC[C@@H](O)C1	59787763	343347507	/nfs/dbraw/zinc/34/75/07/343347507.db2.gz	PVYNEBINRXDMCH-GHMZBOCLSA-N	0	0	170.296	3.118	10	0		AGAERN
Cc1cccc(OC(C)C)c1C	59812234	343347932	/nfs/dbraw/zinc/34/79/32/343347932.db2.gz	REKVGPTYHRAVGP-UHFFFAOYSA-N	0	0	164.248	3.091	10	0		AGAERN
C1=CSc2ccccc2N=C1	59805146	343348066	/nfs/dbraw/zinc/34/80/66/343348066.db2.gz	KJFRSZASZNLCDF-UHFFFAOYSA-N	0	0	161.229	3.008	10	0		AGAERN
Cc1cc2ccccc2cc1F	59997853	343349812	/nfs/dbraw/zinc/34/98/12/343349812.db2.gz	PYVWZUKXGPCDHM-UHFFFAOYSA-N	0	0	160.191	3.287	10	0		AGAERN
C1=C(c2ccccn2)CCCCC1	60038566	343350083	/nfs/dbraw/zinc/35/00/83/343350083.db2.gz	NEXGTLATIZEZTN-UHFFFAOYSA-N	0	0	173.259	3.429	10	0		AGAERN
CC(C)(C)c1cccc2c1OCCC2	60116156	343351025	/nfs/dbraw/zinc/35/10/25/343351025.db2.gz	DPCPBEOPHRSGJF-UHFFFAOYSA-N	0	0	190.286	3.309	10	0		AGAERN
S=c1[nH]cc(C2CCCCC2)[nH]1	60142621	343351054	/nfs/dbraw/zinc/35/10/54/343351054.db2.gz	GRUVVHYCZAOGOU-UHFFFAOYSA-N	0	0	182.292	3.120	10	0		AGAERN
C=CO[C@H]1CCCc2ccccc21	60192486	343351619	/nfs/dbraw/zinc/35/16/19/343351619.db2.gz	ZFTHWCCTQWSHIN-LBPRGKRZSA-N	0	0	174.243	3.224	10	0		AGAERN
CC(C)Nc1snc2ccccc12	60248740	343352023	/nfs/dbraw/zinc/35/20/23/343352023.db2.gz	LVLUFNJOIRSWMB-UHFFFAOYSA-N	0	0	192.287	3.117	10	0		AGAERN
COc1c(Cl)ccc(Cl)c1C	60262021	343353101	/nfs/dbraw/zinc/35/31/01/343353101.db2.gz	RGWOCYSBYJEJRF-UHFFFAOYSA-N	0	0	191.057	3.310	10	0		AGAERN
Cc1ccc([C@H]2CCCC2=O)cc1C	60710853	343354077	/nfs/dbraw/zinc/35/40/77/343354077.db2.gz	DIINJQHNWIURKQ-GFCCVEGCSA-N	0	0	188.270	3.140	10	0		AGAERN
O=C1CCCCC[C@H]1c1cccs1	60711086	343354093	/nfs/dbraw/zinc/35/40/93/343354093.db2.gz	KPTJWOVCSAJIKA-SECBINFHSA-N	0	0	194.299	3.365	10	0		AGAERN
O=C1CCCCC[C@H]1C1CCCC1	60711014	343354161	/nfs/dbraw/zinc/35/41/61/343354161.db2.gz	ANLFZEMCZANESX-NSHDSACASA-N	0	0	180.291	3.326	10	0		AGAERN
Cc1ccc([C@@H]2CCCC2=O)cc1C	60710849	343354264	/nfs/dbraw/zinc/35/42/64/343354264.db2.gz	DIINJQHNWIURKQ-LBPRGKRZSA-N	0	0	188.270	3.140	10	0		AGAERN
O=C1CCCCC[C@@H]1c1cccs1	60711089	343354286	/nfs/dbraw/zinc/35/42/86/343354286.db2.gz	KPTJWOVCSAJIKA-VIFPVBQESA-N	0	0	194.299	3.365	10	0		AGAERN
O=C1CCCCC[C@@H]1C1CCCC1	60711009	343354292	/nfs/dbraw/zinc/35/42/92/343354292.db2.gz	ANLFZEMCZANESX-LLVKDONJSA-N	0	0	180.291	3.326	10	0		AGAERN
Cc1ccc(C)c([C@H]2CCCC2=O)c1	60710832	343354320	/nfs/dbraw/zinc/35/43/20/343354320.db2.gz	CADNVMMZFJMAJN-LLVKDONJSA-N	0	0	188.270	3.140	10	0		AGAERN
Cc1ccc(C)c([C@@H]2CCCC2=O)c1	60710824	343354326	/nfs/dbraw/zinc/35/43/26/343354326.db2.gz	CADNVMMZFJMAJN-NSHDSACASA-N	0	0	188.270	3.140	10	0		AGAERN
CCCC(=O)c1cccc2cnccc12	61123613	343355205	/nfs/dbraw/zinc/35/52/05/343355205.db2.gz	YGRLLVXZDDYNQE-UHFFFAOYSA-N	0	0	199.253	3.218	10	0		AGAERN
C[C@@H](c1ccsc1)n1cccc1	61366652	343356066	/nfs/dbraw/zinc/35/60/66/343356066.db2.gz	IIOQSIWOAUBMGV-VIFPVBQESA-N	0	0	177.272	3.159	10	0		AGAERN
C[C@H](c1ccsc1)n1cccc1	61366653	343356100	/nfs/dbraw/zinc/35/61/00/343356100.db2.gz	IIOQSIWOAUBMGV-SECBINFHSA-N	0	0	177.272	3.159	10	0		AGAERN
CCC(CC)Nc1ccc(C)c(N)c1	61700803	343360571	/nfs/dbraw/zinc/36/05/71/343360571.db2.gz	LIZBXCACZIEQQH-UHFFFAOYSA-N	0	0	192.306	3.178	10	0		AGAERN
CCC[C@H](C)Nc1ccc(C)c(N)c1	61700825	343360654	/nfs/dbraw/zinc/36/06/54/343360654.db2.gz	JUODUGPCWSSCKT-JTQLQIEISA-N	0	0	192.306	3.178	10	0		AGAERN
CC[C@H](C)CNc1ccc(C)c(N)c1	61702020	343360663	/nfs/dbraw/zinc/36/06/63/343360663.db2.gz	SUGLAANHFQPGBF-VIFPVBQESA-N	0	0	192.306	3.035	10	0		AGAERN
Cc1ccc(SCC(C)C)cc1N	61702087	343360703	/nfs/dbraw/zinc/36/07/03/343360703.db2.gz	DQQUDZSLVMEZMP-UHFFFAOYSA-N	0	0	195.331	3.325	10	0		AGAERN
Cc1ccc(Nc2ccccc2)cc1N	61700935	343360712	/nfs/dbraw/zinc/36/07/12/343360712.db2.gz	WZLHSDJWKAYVJT-UHFFFAOYSA-N	0	0	198.269	3.321	10	0		AGAERN
Cc1ccc(NCC(C)(C)C)cc1N	61701459	343360802	/nfs/dbraw/zinc/36/08/02/343360802.db2.gz	UKBALXFKMKYBCA-UHFFFAOYSA-N	0	0	192.306	3.035	10	0		AGAERN
Cc1ccc(SC(C)(C)C)cc1N	61702082	343360835	/nfs/dbraw/zinc/36/08/35/343360835.db2.gz	GAXUNTGTUDEBMW-UHFFFAOYSA-N	0	0	195.331	3.468	10	0		AGAERN
CCC[C@@H](C)Nc1ccc(C)c(N)c1	61700824	343360851	/nfs/dbraw/zinc/36/08/51/343360851.db2.gz	JUODUGPCWSSCKT-SNVBAGLBSA-N	0	0	192.306	3.178	10	0		AGAERN
CC[C@@H](C)Sc1ccc(C)c(N)c1	61702079	343360886	/nfs/dbraw/zinc/36/08/86/343360886.db2.gz	OALRKUBGBZKXCX-SECBINFHSA-N	0	0	195.331	3.468	10	0		AGAERN
CC[C@@H](C)CNc1ccc(C)c(N)c1	61702019	343360906	/nfs/dbraw/zinc/36/09/06/343360906.db2.gz	SUGLAANHFQPGBF-SECBINFHSA-N	0	0	192.306	3.035	10	0		AGAERN
CC[C@H](C)Sc1ccc(C)c(N)c1	61702080	343360919	/nfs/dbraw/zinc/36/09/19/343360919.db2.gz	OALRKUBGBZKXCX-VIFPVBQESA-N	0	0	195.331	3.468	10	0		AGAERN
Clc1nc2c(s1)CCCCC2	61714239	343362958	/nfs/dbraw/zinc/36/29/58/343362958.db2.gz	KAEIHGMOPYMKAZ-UHFFFAOYSA-N	0	0	187.695	3.065	10	0		AGAERN
Cc1ccc(-c2csc(Cl)n2)o1	61714232	343363042	/nfs/dbraw/zinc/36/30/42/343363042.db2.gz	GSEKECASWIHQEP-UHFFFAOYSA-N	0	0	199.662	3.365	10	0		AGAERN
Cc1sc(Cl)nc1-c1ccco1	61714255	343363079	/nfs/dbraw/zinc/36/30/79/343363079.db2.gz	LUUAYRCHFZQIGR-UHFFFAOYSA-N	0	0	199.662	3.365	10	0		AGAERN
Clc1nc(-c2ccco2)cs1	61714211	343363082	/nfs/dbraw/zinc/36/30/82/343363082.db2.gz	DWDYQOZSBOBDSX-UHFFFAOYSA-N	0	0	185.635	3.057	10	0		AGAERN
Clc1nc(C2CCCC2)cs1	61714256	343363085	/nfs/dbraw/zinc/36/30/85/343363085.db2.gz	JNYQRIDIWVADHC-UHFFFAOYSA-N	0	0	187.695	3.454	10	0		AGAERN
CC(C)(C)c1csc(Cl)n1	61714247	343363130	/nfs/dbraw/zinc/36/31/30/343363130.db2.gz	MRHBFZXDIDPUHO-UHFFFAOYSA-N	0	0	175.684	3.094	10	0		AGAERN
CC(C)c1csc(NC(C)(C)C)n1	61714626	343363179	/nfs/dbraw/zinc/36/31/79/343363179.db2.gz	UCJQOEAWANMNPB-UHFFFAOYSA-N	0	0	198.335	3.477	10	0		AGAERN
O=Cc1nc(C2CCCCC2)cs1	61798511	343363627	/nfs/dbraw/zinc/36/36/27/343363627.db2.gz	HCZDGNZXABBEBB-UHFFFAOYSA-N	0	0	195.287	3.003	10	0		AGAERN
Cc1ccc2c(c1)C(=O)C[C@@H](C)CC2	61831354	343364738	/nfs/dbraw/zinc/36/47/38/343364738.db2.gz	OWDUFAGCYAMDTD-JTQLQIEISA-N	0	0	188.270	3.150	10	0		AGAERN
Cc1ccc2c(c1)C(=O)C[C@H](C)CC2	61831353	343364945	/nfs/dbraw/zinc/36/49/45/343364945.db2.gz	OWDUFAGCYAMDTD-SNVBAGLBSA-N	0	0	188.270	3.150	10	0		AGAERN
Cc1cc2[nH]c(=S)[nH]c2cc1Cl	62152728	343371874	/nfs/dbraw/zinc/37/18/74/343371874.db2.gz	LCECDLZOACDVAK-UHFFFAOYSA-N	0	0	198.678	3.187	10	0		AGAERN
CC[C@H](C)c1cc(NC(C)(C)C)n[nH]1	62669245	343377376	/nfs/dbraw/zinc/37/73/76/343377376.db2.gz	JMXHTPHPUAADTP-QMMMGPOBSA-N	0	0	195.310	3.134	10	0		AGAERN
Cc1c(NC(C)(C)C)n[nH]c1C(C)C	62669239	343377398	/nfs/dbraw/zinc/37/73/98/343377398.db2.gz	WLCQPRRTXSVLFQ-UHFFFAOYSA-N	0	0	195.310	3.052	10	0		AGAERN
CCC(C)(C)c1ccc([C@H](C)O)cc1	62720070	343378236	/nfs/dbraw/zinc/37/82/36/343378236.db2.gz	ZZOKSMXPWAILDX-JTQLQIEISA-N	0	0	192.302	3.428	10	0		AGAERN
CCC(=O)C[C@@H](C)c1ccccc1	62718816	343378295	/nfs/dbraw/zinc/37/82/95/343378295.db2.gz	VCWZPQLAWHWVGK-SNVBAGLBSA-N	0	0	176.259	3.159	10	0		AGAERN
CCC(=O)C[C@H](C)c1ccccc1	62718819	343378349	/nfs/dbraw/zinc/37/83/49/343378349.db2.gz	VCWZPQLAWHWVGK-JTQLQIEISA-N	0	0	176.259	3.159	10	0		AGAERN
Cc1c(N)cccc1N[C@H](C)C(C)C	62724290	343378647	/nfs/dbraw/zinc/37/86/47/343378647.db2.gz	ZSKREBZCARABBO-SNVBAGLBSA-N	0	0	192.306	3.034	10	0		AGAERN
Cc1c(N)cccc1N[C@@H](C)C(C)C	62724288	343378652	/nfs/dbraw/zinc/37/86/52/343378652.db2.gz	ZSKREBZCARABBO-JTQLQIEISA-N	0	0	192.306	3.034	10	0		AGAERN
Cc1c(N)cccc1SC(C)C	62725604	343378655	/nfs/dbraw/zinc/37/86/55/343378655.db2.gz	WRICNUQLPUELKI-UHFFFAOYSA-N	0	0	181.304	3.078	10	0		AGAERN
CC[C@H](C)CNc1cccc(N)c1C	62725472	343378674	/nfs/dbraw/zinc/37/86/74/343378674.db2.gz	GZNXZKLCSMQCKR-VIFPVBQESA-N	0	0	192.306	3.035	10	0		AGAERN
Cc1c(N)cccc1NCCC(C)C	62724155	343378840	/nfs/dbraw/zinc/37/88/40/343378840.db2.gz	ZICCTBGTPXSAGG-UHFFFAOYSA-N	0	0	192.306	3.035	10	0		AGAERN
CC[C@@H](C)CNc1cccc(N)c1C	62725471	343378975	/nfs/dbraw/zinc/37/89/75/343378975.db2.gz	GZNXZKLCSMQCKR-SECBINFHSA-N	0	0	192.306	3.035	10	0		AGAERN
CCC[C@@H](C)Nc1cccc(N)c1C	62724105	343378981	/nfs/dbraw/zinc/37/89/81/343378981.db2.gz	QUFHFPMRKCKKSZ-SECBINFHSA-N	0	0	192.306	3.178	10	0		AGAERN
Cc1c(N)cccc1SCC(C)C	62725586	343378992	/nfs/dbraw/zinc/37/89/92/343378992.db2.gz	PZHAHLNWQRVUJV-UHFFFAOYSA-N	0	0	195.331	3.325	10	0		AGAERN
Cc1c(N)cccc1SC(C)(C)C	62725581	343379030	/nfs/dbraw/zinc/37/90/30/343379030.db2.gz	XEGGQUVJRATRBO-UHFFFAOYSA-N	0	0	195.331	3.468	10	0		AGAERN
CCCC[C@H](O)c1ccccc1F	62774160	343379280	/nfs/dbraw/zinc/37/92/80/343379280.db2.gz	SOHRZXGUZOXMQM-NSHDSACASA-N	0	0	182.238	3.049	10	0		AGAERN
CC(=O)c1oc2cc(F)ccc2c1C	62749419	343379335	/nfs/dbraw/zinc/37/93/35/343379335.db2.gz	CKSGYIWYFYSGDZ-UHFFFAOYSA-N	0	0	192.189	3.083	10	0		AGAERN
CC(C)C(=O)C(C)(C)c1ccccc1	62772905	343379412	/nfs/dbraw/zinc/37/94/12/343379412.db2.gz	BDOIJUWUSITWHY-UHFFFAOYSA-N	0	0	190.286	3.189	10	0		AGAERN
CNc1cc(C(C)(C)C)ccc1OC	62796749	343380024	/nfs/dbraw/zinc/38/00/24/343380024.db2.gz	UTGQNCJOGWYAFK-UHFFFAOYSA-N	0	0	193.290	3.034	10	0		AGAERN
CC[C@H](C)c1ccc(NC)cc1	62796748	343380145	/nfs/dbraw/zinc/38/01/45/343380145.db2.gz	HWHGDDHBMJCYSF-VIFPVBQESA-N	0	0	163.264	3.242	10	0		AGAERN
CNc1ccc(OC(C)C)c(Cl)c1	62796874	343380202	/nfs/dbraw/zinc/38/02/02/343380202.db2.gz	MJIRXALYKMDMMB-UHFFFAOYSA-N	0	0	199.681	3.169	10	0		AGAERN
CNc1c(Cl)ccc(C)c1Cl	62796607	343380251	/nfs/dbraw/zinc/38/02/51/343380251.db2.gz	AHFGXAMVWLQVRD-UHFFFAOYSA-N	0	0	190.073	3.344	10	0		AGAERN
CNc1ccccc1-c1cccs1	62796839	343380275	/nfs/dbraw/zinc/38/02/75/343380275.db2.gz	RASGVUCPCFWGDP-UHFFFAOYSA-N	0	0	189.283	3.457	10	0		AGAERN
CC[C@@H](C)c1ccc(NC)cc1	62796747	343380281	/nfs/dbraw/zinc/38/02/81/343380281.db2.gz	HWHGDDHBMJCYSF-SECBINFHSA-N	0	0	163.264	3.242	10	0		AGAERN
Fc1cccc(SC2CCCC2)n1	62829858	343382432	/nfs/dbraw/zinc/38/24/32/343382432.db2.gz	IFXJDNRHOYWUIO-UHFFFAOYSA-N	0	0	197.278	3.255	10	0		AGAERN
Nc1cccc(SC2CCCC2)c1	62829149	343382820	/nfs/dbraw/zinc/38/28/20/343382820.db2.gz	IZLFKLGVPKYBPC-UHFFFAOYSA-N	0	0	193.315	3.304	10	0		AGAERN
O=C1CCC[C@@H]1SCC1CCCC1	62836517	343383236	/nfs/dbraw/zinc/38/32/36/343383236.db2.gz	FUWXQWFHCBUFRG-NSHDSACASA-N	0	0	198.331	3.031	10	0		AGAERN
O=C1CCC[C@H]1SCC1CCCC1	62836516	343383272	/nfs/dbraw/zinc/38/32/72/343383272.db2.gz	FUWXQWFHCBUFRG-LLVKDONJSA-N	0	0	198.331	3.031	10	0		AGAERN
CC[C@H](C)Oc1cc(C)c(N)cc1C	62997748	343396172	/nfs/dbraw/zinc/39/61/72/343396172.db2.gz	OMLRSVLYFWWBNV-JTQLQIEISA-N	0	0	193.290	3.063	10	0		AGAERN
CC[C@@H](C)Oc1cc(C)c(N)cc1C	62997747	343396348	/nfs/dbraw/zinc/39/63/48/343396348.db2.gz	OMLRSVLYFWWBNV-SNVBAGLBSA-N	0	0	193.290	3.063	10	0		AGAERN
Cc1ccccc1NCc1ccoc1	63046680	343397899	/nfs/dbraw/zinc/39/78/99/343397899.db2.gz	MPZYHCQPLNJBDK-UHFFFAOYSA-N	0	0	187.242	3.200	10	0		AGAERN
Cc1cccc(NCc2ccoc2)c1	63046542	343397907	/nfs/dbraw/zinc/39/79/07/343397907.db2.gz	IQHNHXPJWRFWQS-UHFFFAOYSA-N	0	0	187.242	3.200	10	0		AGAERN
CCCC(=O)c1ccc2ccccc2n1	63075558	343400933	/nfs/dbraw/zinc/40/09/33/343400933.db2.gz	YPUDAHAXAUXVBF-UHFFFAOYSA-N	0	0	199.253	3.218	10	0		AGAERN
C[C@@](O)(c1cccs1)C1CCCC1	63076948	343401399	/nfs/dbraw/zinc/40/13/99/343401399.db2.gz	YKIIWJIPSBVQAY-NSHDSACASA-N	0	0	196.315	3.146	10	0		AGAERN
C[C@](O)(c1cccs1)C1CCCC1	63076950	343401572	/nfs/dbraw/zinc/40/15/72/343401572.db2.gz	YKIIWJIPSBVQAY-LLVKDONJSA-N	0	0	196.315	3.146	10	0		AGAERN
Cc1ccc(C)n1CCC(F)(F)F	63101080	343402336	/nfs/dbraw/zinc/40/23/36/343402336.db2.gz	ZUGSNQQOQQSBQV-UHFFFAOYSA-N	0	0	191.196	3.057	10	0		AGAERN
CC1CCC(Cn2cccc2)CC1	63146471	343403142	/nfs/dbraw/zinc/40/31/42/343403142.db2.gz	BBQQJWBVGPPWQP-UHFFFAOYSA-N	0	0	177.291	3.314	10	0		AGAERN
Cc1cc2cccc(F)c2nc1Cl	63116273	343403191	/nfs/dbraw/zinc/40/31/91/343403191.db2.gz	RVFSODBDRQOOMG-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
Cc1ccc(C)n1Cc1ccsc1	63154790	343403447	/nfs/dbraw/zinc/40/34/47/343403447.db2.gz	FBEWOHZUKZWDRQ-UHFFFAOYSA-N	0	0	191.299	3.215	10	0		AGAERN
Cc1cc(-c2cccs2)ccc1O	65340202	343408388	/nfs/dbraw/zinc/40/83/88/343408388.db2.gz	BRAYOQDSDHCNIS-UHFFFAOYSA-N	0	0	190.267	3.429	10	0		AGAERN
Cc1ccc2c(c1)C[C@@H]1C=CC=C[C@@H]1C2	65740326	343408815	/nfs/dbraw/zinc/40/88/15/343408815.db2.gz	NBOGHABZMWFLFS-OLZOCXBDSA-N	0	0	196.293	3.452	10	0	in-vitro	AGAERN
Cc1ccc2c(c1)C[C@@H]1C=CC=C[C@H]1C2	65740331	343408903	/nfs/dbraw/zinc/40/89/03/343408903.db2.gz	NBOGHABZMWFLFS-STQMWFEESA-N	0	0	196.293	3.452	10	0	in-vitro	AGAERN
Cc1ccc2c(c1)C[C@H]1C=CC=C[C@H]1C2	65740334	343409019	/nfs/dbraw/zinc/40/90/19/343409019.db2.gz	NBOGHABZMWFLFS-QWHCGFSZSA-N	0	0	196.293	3.452	10	0	in-vitro	AGAERN
Cc1ccc2c(c1)C[C@H]1C=CC=C[C@@H]1C2	65740329	343409029	/nfs/dbraw/zinc/40/90/29/343409029.db2.gz	NBOGHABZMWFLFS-CHWSQXEVSA-N	0	0	196.293	3.452	10	0	in-vitro	AGAERN
Cc1ccc(C)c(Cl)c1C	66381786	343410388	/nfs/dbraw/zinc/41/03/88/343410388.db2.gz	AXJGVZMSADXTDE-UHFFFAOYSA-N	0	0	154.640	3.265	10	0		AGAERN
C1=CCCCCCCC=1	66377680	343410410	/nfs/dbraw/zinc/41/04/10/343410410.db2.gz	YHGPUHUSTRYSIC-UHFFFAOYSA-N	0	0	122.211	3.052	10	0		AGAERN
C/C(Cl)=C\c1ccccc1	67738078	343410793	/nfs/dbraw/zinc/41/07/93/343410793.db2.gz	VCWDAHMQCOZVQD-BQYQJAHWSA-N	0	0	152.624	3.286	10	0		AGAERN
Cc1[nH]c(C(=O)C(C)(C)C)c(C)c1C	68944225	343415586	/nfs/dbraw/zinc/41/55/86/343415586.db2.gz	JJXZQRHHLOQMPZ-UHFFFAOYSA-N	0	0	193.290	3.169	10	0		AGAERN
CC(C)=CCn1cc(C)c(C)c1C	68944297	343415644	/nfs/dbraw/zinc/41/56/44/343415644.db2.gz	MGOVNWJDAZPYRR-UHFFFAOYSA-N	0	0	177.291	3.380	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1[nH]c(C)c(C)c1C	68944489	343415918	/nfs/dbraw/zinc/41/59/18/343415918.db2.gz	CSMABXQRMDTTMU-JMCQJSRRSA-N	0	0	195.306	3.019	10	0		AGAERN
CC[C@H](C)[C@H](O)c1[nH]c(C)c(C)c1C	68944487	343416118	/nfs/dbraw/zinc/41/61/18/343416118.db2.gz	CSMABXQRMDTTMU-MADCSZMMSA-N	0	0	195.306	3.019	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1[nH]c(C)c(C)c1C	68944491	343416130	/nfs/dbraw/zinc/41/61/30/343416130.db2.gz	CSMABXQRMDTTMU-JVXZTZIISA-N	0	0	195.306	3.019	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1[nH]c(C)c(C)c1C	68944486	343416190	/nfs/dbraw/zinc/41/61/90/343416190.db2.gz	CSMABXQRMDTTMU-KRTXAFLBSA-N	0	0	195.306	3.019	10	0		AGAERN
CC(C)C(=O)c1cncc2ccccc12	68949161	343416671	/nfs/dbraw/zinc/41/66/71/343416671.db2.gz	FINCRKXVXJPRLC-UHFFFAOYSA-N	0	0	199.253	3.074	10	0		AGAERN
CCCC(=O)c1nccc2ccccc12	68958865	343418006	/nfs/dbraw/zinc/41/80/06/343418006.db2.gz	GVPOUHVWHICZOQ-UHFFFAOYSA-N	0	0	199.253	3.218	10	0		AGAERN
Nc1cc(-c2ccoc2)ccc1Cl	68978201	343418059	/nfs/dbraw/zinc/41/80/59/343418059.db2.gz	UAOONMBHXOOZLF-UHFFFAOYSA-N	0	0	193.633	3.182	10	0		AGAERN
CC(C)C(=O)c1nccc2ccccc12	68958855	343418111	/nfs/dbraw/zinc/41/81/11/343418111.db2.gz	STLGCDGUBYKMLQ-UHFFFAOYSA-N	0	0	199.253	3.074	10	0		AGAERN
CCC1CCC(O)(c2ccco2)CC1	68978661	343418405	/nfs/dbraw/zinc/41/84/05/343418405.db2.gz	NJTJWWLXHMSWQR-UHFFFAOYSA-N	0	0	194.274	3.067	10	0		AGAERN
CCC1CCC(O)(c2ccoc2)CC1	68978659	343418451	/nfs/dbraw/zinc/41/84/51/343418451.db2.gz	MLIUOOHCQBIWJX-UHFFFAOYSA-N	0	0	194.274	3.067	10	0		AGAERN
O=C(c1ccoc1)C1CCCCC1	69630631	343428610	/nfs/dbraw/zinc/42/86/10/343428610.db2.gz	JXGVKRPQMNOTIC-UHFFFAOYSA-N	0	0	178.231	3.043	10	0		AGAERN
CC(C)CC(=O)c1cccc(F)c1F	69640551	343430619	/nfs/dbraw/zinc/43/06/19/343430619.db2.gz	SVDOCLZWNNOYKA-UHFFFAOYSA-N	0	0	198.212	3.194	10	0		AGAERN
CC(C)(C)C(=O)c1cccc(F)c1F	69640558	343431059	/nfs/dbraw/zinc/43/10/59/343431059.db2.gz	AFCTYIIXHZIBDF-UHFFFAOYSA-N	0	0	198.212	3.194	10	0		AGAERN
CC[C@@H](C)C(=O)c1cccc(F)c1F	69640589	343431296	/nfs/dbraw/zinc/43/12/96/343431296.db2.gz	ZSLAIFCHOIGCLK-SSDOTTSWSA-N	0	0	198.212	3.194	10	0		AGAERN
CC[C@H](C)C(=O)c1cccc(F)c1F	69640591	343431506	/nfs/dbraw/zinc/43/15/06/343431506.db2.gz	ZSLAIFCHOIGCLK-ZETCQYMHSA-N	0	0	198.212	3.194	10	0		AGAERN
Cc1cc(C(=O)[C@H](C)C(C)C)c(C)o1	69685653	343434103	/nfs/dbraw/zinc/43/41/03/343434103.db2.gz	XNOJUHKTVKXJKS-SECBINFHSA-N	0	0	194.274	3.371	10	0		AGAERN
CC(C)[C@@H](C)C(=O)c1ccc(F)cc1	69685420	343434131	/nfs/dbraw/zinc/43/41/31/343434131.db2.gz	WRRXHCWJIAHKCE-SECBINFHSA-N	0	0	194.249	3.301	10	0		AGAERN
Cc1ccc(C(=O)[C@@H](C)C(C)C)o1	69685646	343434136	/nfs/dbraw/zinc/43/41/36/343434136.db2.gz	QCTIOJFQINIXET-VIFPVBQESA-N	0	0	180.247	3.063	10	0		AGAERN
Cc1ccc(C(=O)[C@H](C)C(C)C)cc1	69685499	343434155	/nfs/dbraw/zinc/43/41/55/343434155.db2.gz	KGEJYKUQPAKCKT-LLVKDONJSA-N	0	0	190.286	3.470	10	0		AGAERN
Cc1ccc(C(=O)[C@H](C)C(C)C)o1	69685648	343434186	/nfs/dbraw/zinc/43/41/86/343434186.db2.gz	QCTIOJFQINIXET-SECBINFHSA-N	0	0	180.247	3.063	10	0		AGAERN
CC(C)[C@H](C)C(=O)c1ccc(F)cc1	69685422	343434210	/nfs/dbraw/zinc/43/42/10/343434210.db2.gz	WRRXHCWJIAHKCE-VIFPVBQESA-N	0	0	194.249	3.301	10	0		AGAERN
Cc1cc(C(=O)[C@@H](C)C(C)C)c(C)o1	69685651	343434239	/nfs/dbraw/zinc/43/42/39/343434239.db2.gz	XNOJUHKTVKXJKS-VIFPVBQESA-N	0	0	194.274	3.371	10	0		AGAERN
CC(C)[C@H](C)C(=O)c1cccs1	69685491	343434261	/nfs/dbraw/zinc/43/42/61/343434261.db2.gz	MYOXYJFSMORNCP-QMMMGPOBSA-N	0	0	182.288	3.223	10	0		AGAERN
CC(C)[C@@H](C)C(=O)c1cccs1	69685490	343434302	/nfs/dbraw/zinc/43/43/02/343434302.db2.gz	MYOXYJFSMORNCP-MRVPVSSYSA-N	0	0	182.288	3.223	10	0		AGAERN
Cc1ccc(C(=O)[C@@H](C)C(C)C)cc1	69685497	343434352	/nfs/dbraw/zinc/43/43/52/343434352.db2.gz	KGEJYKUQPAKCKT-NSHDSACASA-N	0	0	190.286	3.470	10	0		AGAERN
CC(C)[C@H](C)CNc1ccccc1	69686914	343434657	/nfs/dbraw/zinc/43/46/57/343434657.db2.gz	YZFJLCLINBENQD-LLVKDONJSA-N	0	0	177.291	3.391	10	0		AGAERN
CC(C)[C@@H](C)CNc1ccccc1	69686912	343434776	/nfs/dbraw/zinc/43/47/76/343434776.db2.gz	YZFJLCLINBENQD-NSHDSACASA-N	0	0	177.291	3.391	10	0		AGAERN
CC(C)[C@H](C)[C@@H](O)c1ccccc1	69689278	343435028	/nfs/dbraw/zinc/43/50/28/343435028.db2.gz	QNNRADIGIZFDLW-CMPLNLGQSA-N	0	0	178.275	3.012	10	0		AGAERN
CC(C)[C@@H](C)[C@H](O)c1ccccc1	69689269	343435049	/nfs/dbraw/zinc/43/50/49/343435049.db2.gz	QNNRADIGIZFDLW-PWSUYJOCSA-N	0	0	178.275	3.012	10	0		AGAERN
Cc1ccc([C@H](O)[C@@H](C)C(C)C)s1	69689182	343435051	/nfs/dbraw/zinc/43/50/51/343435051.db2.gz	PPMFUTYDDKAAAP-GXSJLCMTSA-N	0	0	198.331	3.382	10	0		AGAERN
CC(C)[C@@H](C)[C@H](O)c1ccc(F)cc1	69689245	343435069	/nfs/dbraw/zinc/43/50/69/343435069.db2.gz	FNJNMIQTHLPYBF-SKDRFNHKSA-N	0	0	196.265	3.151	10	0		AGAERN
Cc1ccc([C@@H](O)[C@@H](C)C(C)C)s1	69689185	343435070	/nfs/dbraw/zinc/43/50/70/343435070.db2.gz	PPMFUTYDDKAAAP-ONGXEEELSA-N	0	0	198.331	3.382	10	0		AGAERN
Cc1ccsc1[C@H](O)[C@H](C)C(C)C	69689667	343435074	/nfs/dbraw/zinc/43/50/74/343435074.db2.gz	UQEZESDEWLXRPI-NXEZZACHSA-N	0	0	198.331	3.382	10	0		AGAERN
CC(C)[C@@H](C)[C@@H](O)c1ccccc1	69689275	343435086	/nfs/dbraw/zinc/43/50/86/343435086.db2.gz	QNNRADIGIZFDLW-ZYHUDNBSSA-N	0	0	178.275	3.012	10	0		AGAERN
CC(C)[C@@H](C)c1nc2ccccc2[nH]1	69688088	343435091	/nfs/dbraw/zinc/43/50/91/343435091.db2.gz	VNMHQEDEOIUZSC-SECBINFHSA-N	0	0	188.274	3.322	10	0		AGAERN
Cc1ccsc1[C@H](O)[C@@H](C)C(C)C	69689659	343435113	/nfs/dbraw/zinc/43/51/13/343435113.db2.gz	UQEZESDEWLXRPI-VHSXEESVSA-N	0	0	198.331	3.382	10	0		AGAERN
CC(C)[C@H](C)[C@H](O)c1ccc(F)cc1	69689248	343435123	/nfs/dbraw/zinc/43/51/23/343435123.db2.gz	FNJNMIQTHLPYBF-CABZTGNLSA-N	0	0	196.265	3.151	10	0		AGAERN
CC(C)[C@H](C)[C@H](O)c1ccccc1	69689273	343435124	/nfs/dbraw/zinc/43/51/24/343435124.db2.gz	QNNRADIGIZFDLW-JQWIXIFHSA-N	0	0	178.275	3.012	10	0		AGAERN
CC(C)[C@H](C)[C@@H](O)c1ccc(F)cc1	69689256	343435126	/nfs/dbraw/zinc/43/51/26/343435126.db2.gz	FNJNMIQTHLPYBF-JOYOIKCWSA-N	0	0	196.265	3.151	10	0		AGAERN
CC(C)[C@@H](C)[C@@H](O)c1cccs1	69689382	343435129	/nfs/dbraw/zinc/43/51/29/343435129.db2.gz	NTXFXRJGTIFSBD-PSASIEDQSA-N	0	0	184.304	3.074	10	0		AGAERN
Cc1ccc([C@H](O)[C@@H](C)C(C)C)cc1	69689294	343435134	/nfs/dbraw/zinc/43/51/34/343435134.db2.gz	UHCSTKWDVQXBHM-WCQYABFASA-N	0	0	192.302	3.321	10	0		AGAERN
Cc1ccsc1[C@@H](O)[C@H](C)C(C)C	69689668	343435142	/nfs/dbraw/zinc/43/51/42/343435142.db2.gz	UQEZESDEWLXRPI-ZJUUUORDSA-N	0	0	198.331	3.382	10	0		AGAERN
CC(C)[C@H](C)c1nc2ccccc2[nH]1	69688092	343435144	/nfs/dbraw/zinc/43/51/44/343435144.db2.gz	VNMHQEDEOIUZSC-VIFPVBQESA-N	0	0	188.274	3.322	10	0		AGAERN
CC(C)[C@H](C)[C@H](O)c1cccs1	69689379	343435179	/nfs/dbraw/zinc/43/51/79/343435179.db2.gz	NTXFXRJGTIFSBD-WPRPVWTQSA-N	0	0	184.304	3.074	10	0		AGAERN
Cc1ccsc1[C@@H](O)[C@@H](C)C(C)C	69689662	343435180	/nfs/dbraw/zinc/43/51/80/343435180.db2.gz	UQEZESDEWLXRPI-UWVGGRQHSA-N	0	0	198.331	3.382	10	0		AGAERN
Cc1ccc([C@H](O)[C@H](C)C(C)C)cc1	69689299	343435202	/nfs/dbraw/zinc/43/52/02/343435202.db2.gz	UHCSTKWDVQXBHM-DGCLKSJQSA-N	0	0	192.302	3.321	10	0		AGAERN
Cc1ccc([C@@H](O)[C@H](C)C(C)C)s1	69689195	343435205	/nfs/dbraw/zinc/43/52/05/343435205.db2.gz	PPMFUTYDDKAAAP-KOLCDFICSA-N	0	0	198.331	3.382	10	0		AGAERN
CC(C)[C@@H](C)[C@@H](O)c1ccc(F)cc1	69689252	343435210	/nfs/dbraw/zinc/43/52/10/343435210.db2.gz	FNJNMIQTHLPYBF-BXKDBHETSA-N	0	0	196.265	3.151	10	0		AGAERN
CC[C@@H](C)C(=O)c1c(F)cccc1F	69758964	343438849	/nfs/dbraw/zinc/43/88/49/343438849.db2.gz	QGEIRVKLRSHHGI-SSDOTTSWSA-N	0	0	198.212	3.194	10	0		AGAERN
CC(C)CC(=O)c1c(F)cccc1F	69758952	343438866	/nfs/dbraw/zinc/43/88/66/343438866.db2.gz	HGUHYSOJOJPPCM-UHFFFAOYSA-N	0	0	198.212	3.194	10	0		AGAERN
CC[C@H](C)C(=O)c1c(F)cccc1F	69758965	343439137	/nfs/dbraw/zinc/43/91/37/343439137.db2.gz	QGEIRVKLRSHHGI-ZETCQYMHSA-N	0	0	198.212	3.194	10	0		AGAERN
Cc1cc(OC(C)(C)C)c(C)cc1N	69760545	343439267	/nfs/dbraw/zinc/43/92/67/343439267.db2.gz	WESIMJOZPLCXAO-UHFFFAOYSA-N	0	0	193.290	3.063	10	0		AGAERN
Cc1ccc(N)c(C)c1OC(C)(C)C	69760541	343439471	/nfs/dbraw/zinc/43/94/71/343439471.db2.gz	ORPVVSCETDCRAX-UHFFFAOYSA-N	0	0	193.290	3.063	10	0		AGAERN
CC(C)(C)Oc1ccc(N)c(Cl)c1	69760544	343439534	/nfs/dbraw/zinc/43/95/34/343439534.db2.gz	DPFQMTWRAJXCPX-UHFFFAOYSA-N	0	0	199.681	3.100	10	0		AGAERN
CC(C)(C)Oc1cc(N)ccc1Cl	69760549	343439544	/nfs/dbraw/zinc/43/95/44/343439544.db2.gz	ASKAUDXPUWTYLC-UHFFFAOYSA-N	0	0	199.681	3.100	10	0		AGAERN
O=C1CCC[C@@H]1CCc1ccsc1	69765158	343440405	/nfs/dbraw/zinc/44/04/05/343440405.db2.gz	YFRULJYEQSXKTO-SNVBAGLBSA-N	0	0	194.299	3.050	10	0		AGAERN
O=C1CCC[C@H]1CCc1ccsc1	69765157	343440669	/nfs/dbraw/zinc/44/06/69/343440669.db2.gz	YFRULJYEQSXKTO-JTQLQIEISA-N	0	0	194.299	3.050	10	0		AGAERN
C[C@H](Nc1nccs1)C1CCCC1	69805407	343443480	/nfs/dbraw/zinc/44/34/80/343443480.db2.gz	CNBXHWZVHSYTOT-QMMMGPOBSA-N	0	0	196.319	3.134	10	0		AGAERN
C[C@H](C1CCCC1)n1cc[nH]c1=S	69805504	343443496	/nfs/dbraw/zinc/44/34/96/343443496.db2.gz	MGLLIEZJWWVUPD-MRVPVSSYSA-N	0	0	196.319	3.297	10	0		AGAERN
C[C@@H](Nc1nccs1)C1CCCC1	69805412	343443545	/nfs/dbraw/zinc/44/35/45/343443545.db2.gz	CNBXHWZVHSYTOT-MRVPVSSYSA-N	0	0	196.319	3.134	10	0		AGAERN
C[C@H](C1CCCC1)n1cccc1C=O	69805863	343443579	/nfs/dbraw/zinc/44/35/79/343443579.db2.gz	APOWPBHQMVIBFL-SNVBAGLBSA-N	0	0	191.274	3.052	10	0		AGAERN
C[C@H](Nc1ccccn1)C1CCCC1	69805346	343443720	/nfs/dbraw/zinc/44/37/20/343443720.db2.gz	BRZANLBNKRJQDZ-JTQLQIEISA-N	0	0	190.290	3.072	10	0		AGAERN
C[C@@H](C1CCCC1)n1cc[nH]c1=S	69805502	343443770	/nfs/dbraw/zinc/44/37/70/343443770.db2.gz	MGLLIEZJWWVUPD-QMMMGPOBSA-N	0	0	196.319	3.297	10	0		AGAERN
C[C@@H](Nc1ccccn1)C1CCCC1	69805349	343443815	/nfs/dbraw/zinc/44/38/15/343443815.db2.gz	BRZANLBNKRJQDZ-SNVBAGLBSA-N	0	0	190.290	3.072	10	0		AGAERN
O[C@@H](CC1CCCCC1)c1ccoc1	69946192	343459820	/nfs/dbraw/zinc/45/98/20/343459820.db2.gz	LTNBLWHRFLSBRA-LBPRGKRZSA-N	0	0	194.274	3.283	10	0		AGAERN
O[C@H](CC1CCCCC1)c1ccoc1	69946191	343459826	/nfs/dbraw/zinc/45/98/26/343459826.db2.gz	LTNBLWHRFLSBRA-GFCCVEGCSA-N	0	0	194.274	3.283	10	0		AGAERN
O=C(CC1CCCC1)c1ccoc1	69946155	343459996	/nfs/dbraw/zinc/45/99/96/343459996.db2.gz	LSPQWWWHXRPDPU-UHFFFAOYSA-N	0	0	178.231	3.043	10	0		AGAERN
O=C(C1CCCCC1)[C@H]1CCCS1	69984865	343464404	/nfs/dbraw/zinc/46/44/04/343464404.db2.gz	PBNOYWLHDLHZDP-SNVBAGLBSA-N	0	0	198.331	3.031	10	0		AGAERN
O=C(C1CCCCC1)[C@@H]1CCCS1	69984864	343464408	/nfs/dbraw/zinc/46/44/08/343464408.db2.gz	PBNOYWLHDLHZDP-JTQLQIEISA-N	0	0	198.331	3.031	10	0		AGAERN
O=C(CC1CCCC1)[C@H]1CCCS1	69985112	343464716	/nfs/dbraw/zinc/46/47/16/343464716.db2.gz	MQUNREOYHCQKAM-LLVKDONJSA-N	0	0	198.331	3.031	10	0		AGAERN
O=C(CC1CCCC1)[C@@H]1CCCS1	69985110	343464793	/nfs/dbraw/zinc/46/47/93/343464793.db2.gz	MQUNREOYHCQKAM-NSHDSACASA-N	0	0	198.331	3.031	10	0		AGAERN
Cc1cc([C@@H](C)O)c(C)cc1Cl	70023783	343467236	/nfs/dbraw/zinc/46/72/36/343467236.db2.gz	KBQXGCQUKCECMY-MRVPVSSYSA-N	0	0	184.666	3.010	10	0		AGAERN
CC(=O)c1cc(C)c(Cl)cc1C	70023486	343467306	/nfs/dbraw/zinc/46/73/06/343467306.db2.gz	DSQSCIMKHBNGSU-UHFFFAOYSA-N	0	0	182.650	3.159	10	0		AGAERN
Cc1cc(F)cc2ccc(Cl)nc12	70055103	343470988	/nfs/dbraw/zinc/47/09/88/343470988.db2.gz	GFFYGJACVBJKAY-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
Cc1ccc(F)c2nc(Cl)ccc12	70055092	343470989	/nfs/dbraw/zinc/47/09/89/343470989.db2.gz	VWIDZQBHCHKJOC-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
Fc1cc(F)c2ccc(Cl)nc2c1	70055073	343470997	/nfs/dbraw/zinc/47/09/97/343470997.db2.gz	GOXQBHKNLABQLF-UHFFFAOYSA-N	0	0	199.587	3.166	10	0		AGAERN
Cc1cc(F)c2nc(Cl)ccc2c1	70055011	343471013	/nfs/dbraw/zinc/47/10/13/343471013.db2.gz	BINGHRIVXCBKCT-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
Fc1cc2ccc(Cl)nc2cc1F	70055003	343471021	/nfs/dbraw/zinc/47/10/21/343471021.db2.gz	NPUVXPMAZZABBW-UHFFFAOYSA-N	0	0	199.587	3.166	10	0		AGAERN
Fc1ccc(F)c2nc(Cl)ccc12	70054993	343471100	/nfs/dbraw/zinc/47/11/00/343471100.db2.gz	HKRAINCXBRRYLJ-UHFFFAOYSA-N	0	0	199.587	3.166	10	0	in-vitro	AGAERN
Fc1ccc2ccc(Cl)nc2c1F	70055043	343471177	/nfs/dbraw/zinc/47/11/77/343471177.db2.gz	QHFCIVBYDLIPLC-UHFFFAOYSA-N	0	0	199.587	3.166	10	0		AGAERN
CCc1ccc2nc(Cl)ccc2c1	70055088	343471227	/nfs/dbraw/zinc/47/12/27/343471227.db2.gz	FXPLJZWINNQCPD-UHFFFAOYSA-N	0	0	191.661	3.451	10	0		AGAERN
CCc1cccc2ccc(Cl)nc12	70055098	343471233	/nfs/dbraw/zinc/47/12/33/343471233.db2.gz	BBSCDQXAQLQALK-UHFFFAOYSA-N	0	0	191.661	3.451	10	0		AGAERN
Cc1ccc(F)c2ccc(Cl)nc12	70055008	343471259	/nfs/dbraw/zinc/47/12/59/343471259.db2.gz	RAILCZXCPGCQLJ-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
Cc1c(F)ccc2ccc(Cl)nc12	70055048	343471260	/nfs/dbraw/zinc/47/12/60/343471260.db2.gz	WUMYQOUOWDQTNJ-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
CCc1ccc(OC(C)(C)C)c(N)c1	70063324	343472601	/nfs/dbraw/zinc/47/26/01/343472601.db2.gz	RCVRJFFAZZIDOX-UHFFFAOYSA-N	0	0	193.290	3.009	10	0		AGAERN
CCc1cccc(OC(C)C)c1	70233519	343484827	/nfs/dbraw/zinc/48/48/27/343484827.db2.gz	JREYNWDQIHUNKY-UHFFFAOYSA-N	0	0	164.248	3.036	10	0		AGAERN
C/C=C/COc1ccccc1Cl	70233933	343485021	/nfs/dbraw/zinc/48/50/21/343485021.db2.gz	YCIVVPOGQOWFCT-NSCUHMNNSA-N	0	0	182.650	3.295	10	0		AGAERN
Cc1cccc(OCc2ccco2)c1	70234491	343485027	/nfs/dbraw/zinc/48/50/27/343485027.db2.gz	SOJOAPOQOGCGOE-UHFFFAOYSA-N	0	0	188.226	3.167	10	0		AGAERN
Cc1ccc(OC(C)C)c(C)c1	70233673	343485052	/nfs/dbraw/zinc/48/50/52/343485052.db2.gz	XPAFJCSFLJOHMA-UHFFFAOYSA-N	0	0	164.248	3.091	10	0		AGAERN
C/C=C/COc1ccc(Cl)cc1	70234464	343485102	/nfs/dbraw/zinc/48/51/02/343485102.db2.gz	NRKVAJHEUDKZHZ-NSCUHMNNSA-N	0	0	182.650	3.295	10	0		AGAERN
CC[C@@H](C)c1nc2c(C)cccc2[nH]1	70234968	343485148	/nfs/dbraw/zinc/48/51/48/343485148.db2.gz	MZCMDDMKXSIRJT-MRVPVSSYSA-N	0	0	188.274	3.385	10	0		AGAERN
CC[C@H](C)c1nc2c(C)cccc2[nH]1	70234970	343485237	/nfs/dbraw/zinc/48/52/37/343485237.db2.gz	MZCMDDMKXSIRJT-QMMMGPOBSA-N	0	0	188.274	3.385	10	0		AGAERN
C/C=C/COc1cccc(Cl)c1	70234569	343485270	/nfs/dbraw/zinc/48/52/70/343485270.db2.gz	GCPKEYGCZIFSMR-NSCUHMNNSA-N	0	0	182.650	3.295	10	0		AGAERN
CCCCc1nc2cc(F)ccc2[nH]1	70235035	343485304	/nfs/dbraw/zinc/48/53/04/343485304.db2.gz	GQRYSNCTPPYYHT-UHFFFAOYSA-N	0	0	192.237	3.045	10	0		AGAERN
Cc1ccc(OCC(C)C)c(C)c1	70233676	343485320	/nfs/dbraw/zinc/48/53/20/343485320.db2.gz	GCVROHSLYUCADQ-UHFFFAOYSA-N	0	0	178.275	3.338	10	0		AGAERN
Cc1ccc(COc2ccccc2)o1	70234548	343485331	/nfs/dbraw/zinc/48/53/31/343485331.db2.gz	LSRXVMVKYFHCHZ-UHFFFAOYSA-N	0	0	188.226	3.167	10	0		AGAERN
Cc1ccccc1OCc1ccco1	70234512	343485338	/nfs/dbraw/zinc/48/53/38/343485338.db2.gz	ZGDMOUGLMSAWOF-UHFFFAOYSA-N	0	0	188.226	3.167	10	0		AGAERN
Cc1cccc2[nH]c(C(C)(C)C)nc12	70262730	343485563	/nfs/dbraw/zinc/48/55/63/343485563.db2.gz	JVUWWEPNRRXFQM-UHFFFAOYSA-N	0	0	188.274	3.169	10	0		AGAERN
CC(C)c1nc2c(Cl)cccc2[nH]1	70235204	343485620	/nfs/dbraw/zinc/48/56/20/343485620.db2.gz	ACFDHSSNLBTIRA-UHFFFAOYSA-N	0	0	194.665	3.340	10	0		AGAERN
Cc1[nH]c([C@H](O)CC(C)C)c(C)c1C	70533674	343489116	/nfs/dbraw/zinc/48/91/16/343489116.db2.gz	LQIRTBVOTHKMGX-LLVKDONJSA-N	0	0	195.306	3.019	10	0		AGAERN
CC[C@H](O)c1cc(C)c(Cl)cc1C	70531738	343489164	/nfs/dbraw/zinc/48/91/64/343489164.db2.gz	UKVJPNCRAYFSMT-NSHDSACASA-N	0	0	198.693	3.400	10	0		AGAERN
Cc1[nH]c([C@@H](O)CC(C)C)c(C)c1C	70533675	343489189	/nfs/dbraw/zinc/48/91/89/343489189.db2.gz	LQIRTBVOTHKMGX-NSHDSACASA-N	0	0	195.306	3.019	10	0		AGAERN
CCCc1nccn1C1CCCCC1	70531709	343489274	/nfs/dbraw/zinc/48/92/74/343489274.db2.gz	WBSBIJWIOMSWOQ-UHFFFAOYSA-N	0	0	192.306	3.341	10	0		AGAERN
CC[C@@H]1CCC[C@](O)(c2ccoc2)C1	70563491	343491830	/nfs/dbraw/zinc/49/18/30/343491830.db2.gz	DKCXOHNHKYWION-ZYHUDNBSSA-N	0	0	194.274	3.067	10	0		AGAERN
CC[C@H]1CCC[C@](O)(c2ccoc2)C1	70563492	343492379	/nfs/dbraw/zinc/49/23/79/343492379.db2.gz	DKCXOHNHKYWION-CMPLNLGQSA-N	0	0	194.274	3.067	10	0		AGAERN
CC[C@H](C)C(=O)[C@H]1CCC[C@H](C)C1	70566391	343492731	/nfs/dbraw/zinc/49/27/31/343492731.db2.gz	IPNDAWINRUJCQE-DCAQKATOSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H]1CCC[C@H](C(=O)C(C)C)C1	70566240	343492745	/nfs/dbraw/zinc/49/27/45/343492745.db2.gz	AIFUTOMCCPQDFE-MNOVXSKESA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H]1CCC[C@@H](C(=O)C(C)C)C1	70566242	343492752	/nfs/dbraw/zinc/49/27/52/343492752.db2.gz	AIFUTOMCCPQDFE-GHMZBOCLSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H](C)C(=O)[C@@H]1CCC[C@H](C)C1	70566389	343492773	/nfs/dbraw/zinc/49/27/73/343492773.db2.gz	IPNDAWINRUJCQE-GARJFASQSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H](C)[C@H](O)[C@@H]1CCC[C@H](C)C1	70565901	343492826	/nfs/dbraw/zinc/49/28/26/343492826.db2.gz	NTHZQKBGXGEZDQ-YFKTTZPYSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H]1CCC[C@H](C(=O)C(C)C)C1	70566241	343492831	/nfs/dbraw/zinc/49/28/31/343492831.db2.gz	AIFUTOMCCPQDFE-QWRGUYRKSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H]1CCC[C@@H](C(=O)C(C)C)C1	70566243	343492898	/nfs/dbraw/zinc/49/28/98/343492898.db2.gz	AIFUTOMCCPQDFE-WDEREUQCSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H]1CCC[C@@H](n2cccn2)C1	70567767	343493217	/nfs/dbraw/zinc/49/32/17/343493217.db2.gz	PNYPOPTVWFSQQI-WDEREUQCSA-N	0	0	178.279	3.024	10	0		AGAERN
CC[C@@H]1CCC[C@@H](n2ccnc2C)C1	70567786	343493241	/nfs/dbraw/zinc/49/32/41/343493241.db2.gz	IKLHFIXZVQSGLA-VXGBXAGGSA-N	0	0	192.306	3.333	10	0		AGAERN
CC[C@H]1CCC[C@H](n2cccn2)C1	70567765	343493244	/nfs/dbraw/zinc/49/32/44/343493244.db2.gz	PNYPOPTVWFSQQI-QWRGUYRKSA-N	0	0	178.279	3.024	10	0		AGAERN
C[C@@H]1CCC[C@H]([C@@H]2CCCC2=O)C1	70567382	343493256	/nfs/dbraw/zinc/49/32/56/343493256.db2.gz	CVTRMXMPFRVDCM-VWYCJHECSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@H]1CCC[C@@H](n2ccnc2C)C1	70567787	343493269	/nfs/dbraw/zinc/49/32/69/343493269.db2.gz	IKLHFIXZVQSGLA-NWDGAFQWSA-N	0	0	192.306	3.333	10	0		AGAERN
C[C@@H]1CCC[C@@H]([C@@H]2CCCC2=O)C1	70567384	343493283	/nfs/dbraw/zinc/49/32/83/343493283.db2.gz	CVTRMXMPFRVDCM-MXWKQRLJSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@@H]1CCC[C@H](n2ccnc2C)C1	70567784	343493323	/nfs/dbraw/zinc/49/33/23/343493323.db2.gz	IKLHFIXZVQSGLA-NEPJUHHUSA-N	0	0	192.306	3.333	10	0		AGAERN
CC[C@H]1CCC[C@H](n2ccnc2C)C1	70567785	343493333	/nfs/dbraw/zinc/49/33/33/343493333.db2.gz	IKLHFIXZVQSGLA-RYUDHWBXSA-N	0	0	192.306	3.333	10	0		AGAERN
CCc1nccn1[C@@H]1CCC[C@H](C)C1	70567788	343493382	/nfs/dbraw/zinc/49/33/82/343493382.db2.gz	AIKWUHHVMZMKBU-WDEREUQCSA-N	0	0	192.306	3.197	10	0		AGAERN
CC[C@@H]1CCC[C@@H](n2cccn2)C1	70567766	343493405	/nfs/dbraw/zinc/49/34/05/343493405.db2.gz	PNYPOPTVWFSQQI-GHMZBOCLSA-N	0	0	178.279	3.024	10	0		AGAERN
CC[C@@H]1CCC[C@H](n2cccn2)C1	70567764	343493419	/nfs/dbraw/zinc/49/34/19/343493419.db2.gz	PNYPOPTVWFSQQI-MNOVXSKESA-N	0	0	178.279	3.024	10	0		AGAERN
CCc1nccn1[C@@H]1CCC[C@@H](C)C1	70567790	343493705	/nfs/dbraw/zinc/49/37/05/343493705.db2.gz	AIKWUHHVMZMKBU-GHMZBOCLSA-N	0	0	192.306	3.197	10	0		AGAERN
CC[C@H]1CCCc2sc(NC)nc21	70567945	343493787	/nfs/dbraw/zinc/49/37/87/343493787.db2.gz	QPZRJHBOXOUMHA-ZETCQYMHSA-N	0	0	196.319	3.015	10	0		AGAERN
CC[C@@H]1CCCc2sc(NC)nc21	70567944	343493807	/nfs/dbraw/zinc/49/38/07/343493807.db2.gz	QPZRJHBOXOUMHA-SSDOTTSWSA-N	0	0	196.319	3.015	10	0		AGAERN
CCc1nccn1[C@H]1CCC[C@@H](C)C1	70567791	343493838	/nfs/dbraw/zinc/49/38/38/343493838.db2.gz	AIKWUHHVMZMKBU-MNOVXSKESA-N	0	0	192.306	3.197	10	0		AGAERN
CCC[C@@]1(O)CCCC[C@H]1CC	70568814	343493932	/nfs/dbraw/zinc/49/39/32/343493932.db2.gz	IGQTYGFYIBIFAP-GHMZBOCLSA-N	0	0	170.296	3.118	10	0		AGAERN
CC[C@@H]1CCCC[C@]1(O)c1ccoc1	70568696	343494118	/nfs/dbraw/zinc/49/41/18/343494118.db2.gz	SUVGWBFZWUUWRL-ZYHUDNBSSA-N	0	0	194.274	3.067	10	0		AGAERN
CC[C@H]1CCCC[C@]1(O)c1ccoc1	70568697	343494124	/nfs/dbraw/zinc/49/41/24/343494124.db2.gz	SUVGWBFZWUUWRL-CMPLNLGQSA-N	0	0	194.274	3.067	10	0		AGAERN
CCC[C@@]1(O)CCCC[C@@H]1CC	70568812	343494150	/nfs/dbraw/zinc/49/41/50/343494150.db2.gz	IGQTYGFYIBIFAP-WDEREUQCSA-N	0	0	170.296	3.118	10	0		AGAERN
CC[C@H]1CCCC[C@@]1(O)c1ccoc1	70568699	343494167	/nfs/dbraw/zinc/49/41/67/343494167.db2.gz	SUVGWBFZWUUWRL-JQWIXIFHSA-N	0	0	194.274	3.067	10	0		AGAERN
CC[C@@H]1CCCC[C@@]1(O)c1ccoc1	70568698	343494206	/nfs/dbraw/zinc/49/42/06/343494206.db2.gz	SUVGWBFZWUUWRL-PWSUYJOCSA-N	0	0	194.274	3.067	10	0		AGAERN
CCC[C@]1(O)CCCC[C@@H]1CC	70568811	343494212	/nfs/dbraw/zinc/49/42/12/343494212.db2.gz	IGQTYGFYIBIFAP-QWRGUYRKSA-N	0	0	170.296	3.118	10	0		AGAERN
CCC[C@]1(O)CCCC[C@H]1CC	70568813	343494273	/nfs/dbraw/zinc/49/42/73/343494273.db2.gz	IGQTYGFYIBIFAP-MNOVXSKESA-N	0	0	170.296	3.118	10	0		AGAERN
C=Cc1nc([C@@H]2CCC[C@H](C)C2)no1	70581058	343494370	/nfs/dbraw/zinc/49/43/70/343494370.db2.gz	ZTVWCUFIONAACR-DTWKUNHWSA-N	0	0	192.262	3.006	10	0		AGAERN
C=Cc1nc([C@H]2CCC[C@H](C)C2)no1	70581056	343494387	/nfs/dbraw/zinc/49/43/87/343494387.db2.gz	ZTVWCUFIONAACR-IUCAKERBSA-N	0	0	192.262	3.006	10	0		AGAERN
C=Cc1nc([C@H]2CCC[C@@H](C)C2)no1	70581055	343494493	/nfs/dbraw/zinc/49/44/93/343494493.db2.gz	ZTVWCUFIONAACR-BDAKNGLRSA-N	0	0	192.262	3.006	10	0		AGAERN
C=Cc1nc([C@@H]2CCC[C@@H](C)C2)no1	70581057	343494517	/nfs/dbraw/zinc/49/45/17/343494517.db2.gz	ZTVWCUFIONAACR-RKDXNWHRSA-N	0	0	192.262	3.006	10	0		AGAERN
CC[C@@H]1CCCc2sc(=S)[nH]c21	70598223	343500574	/nfs/dbraw/zinc/50/05/74/343500574.db2.gz	WSFUVNVWVDSXAC-ZCFIWIBFSA-N	0	0	199.344	3.262	10	0		AGAERN
S=c1[nH]c2c(s1)CCCCCC2	70598238	343500599	/nfs/dbraw/zinc/50/05/99/343500599.db2.gz	IRGMRJOTGDZNIH-UHFFFAOYSA-N	0	0	199.344	3.091	10	0		AGAERN
CC[C@H]1CCCc2sc(=S)[nH]c21	70598224	343500924	/nfs/dbraw/zinc/50/09/24/343500924.db2.gz	WSFUVNVWVDSXAC-LURJTMIESA-N	0	0	199.344	3.262	10	0		AGAERN
S=c1[nH]c(C2CCCC2)cs1	70598266	343501029	/nfs/dbraw/zinc/50/10/29/343501029.db2.gz	UMINQCMJUFUNFT-UHFFFAOYSA-N	0	0	185.317	3.089	10	0		AGAERN
Cc1ccc(-c2csc(=S)[nH]2)o1	70598240	343501360	/nfs/dbraw/zinc/50/13/60/343501360.db2.gz	LPOQVVNOMLFYTR-UHFFFAOYSA-N	0	0	197.284	3.000	10	0		AGAERN
CC1SC(=S)N=C1c1ccco1	70598282	343501382	/nfs/dbraw/zinc/50/13/82/343501382.db2.gz	HLYCMYHQKKQXPP-UHFFFAOYSA-N	0	0	197.284	3.000	10	0		AGAERN
Cc1cc(O)ccc1NC1CCCC1	70634927	343511166	/nfs/dbraw/zinc/51/11/66/343511166.db2.gz	FJAXQAVXPRUCHW-UHFFFAOYSA-N	0	0	191.274	3.055	10	0		AGAERN
CC1(C)CCC(O)(c2ccoc2)CC1	70654533	343520271	/nfs/dbraw/zinc/52/02/71/343520271.db2.gz	BVGVTARQPWNAHZ-UHFFFAOYSA-N	0	0	194.274	3.067	10	0		AGAERN
CC1(C)CCC(O)(c2ccco2)CC1	70654573	343520349	/nfs/dbraw/zinc/52/03/49/343520349.db2.gz	ZVWUZONOKUATQM-UHFFFAOYSA-N	0	0	194.274	3.067	10	0		AGAERN
CC1(C)CCC[C@](O)(c2ccco2)C1	70684274	343524168	/nfs/dbraw/zinc/52/41/68/343524168.db2.gz	QHECZSIZZICIAY-GFCCVEGCSA-N	0	0	194.274	3.067	10	0		AGAERN
CC1(C)CCC[C@@](O)(c2ccoc2)C1	70684068	343524344	/nfs/dbraw/zinc/52/43/44/343524344.db2.gz	PDRUQYFHVMWODQ-LBPRGKRZSA-N	0	0	194.274	3.067	10	0		AGAERN
CC1(C)CCC[C@@](O)(c2ccco2)C1	70684277	343524389	/nfs/dbraw/zinc/52/43/89/343524389.db2.gz	QHECZSIZZICIAY-LBPRGKRZSA-N	0	0	194.274	3.067	10	0		AGAERN
CC1(C)CCC[C@](O)(c2ccoc2)C1	70684064	343524465	/nfs/dbraw/zinc/52/44/65/343524465.db2.gz	PDRUQYFHVMWODQ-GFCCVEGCSA-N	0	0	194.274	3.067	10	0		AGAERN
CC[C@H]1CCC[C@H](n2ccc(C)n2)C1	70687786	343525145	/nfs/dbraw/zinc/52/51/45/343525145.db2.gz	ZCEXDDSJUDKYAQ-RYUDHWBXSA-N	0	0	192.306	3.333	10	0		AGAERN
CC[C@H]1CCC[C@@H](n2ccc(C)n2)C1	70687791	343525169	/nfs/dbraw/zinc/52/51/69/343525169.db2.gz	ZCEXDDSJUDKYAQ-NWDGAFQWSA-N	0	0	192.306	3.333	10	0		AGAERN
CC[C@@H]1CCC[C@@H](n2ccc(C)n2)C1	70687789	343525188	/nfs/dbraw/zinc/52/51/88/343525188.db2.gz	ZCEXDDSJUDKYAQ-VXGBXAGGSA-N	0	0	192.306	3.333	10	0		AGAERN
CC[C@@H]1CCC[C@H](n2ccc(C)n2)C1	70687782	343525314	/nfs/dbraw/zinc/52/53/14/343525314.db2.gz	ZCEXDDSJUDKYAQ-NEPJUHHUSA-N	0	0	192.306	3.333	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1n1ccc(C)n1	70688110	343525581	/nfs/dbraw/zinc/52/55/81/343525581.db2.gz	NQSXIIWNUBEWAQ-NEPJUHHUSA-N	0	0	192.306	3.333	10	0		AGAERN
CC[C@@H]1CCCC[C@H]1n1ccc(C)n1	70688117	343525584	/nfs/dbraw/zinc/52/55/84/343525584.db2.gz	NQSXIIWNUBEWAQ-VXGBXAGGSA-N	0	0	192.306	3.333	10	0		AGAERN
CC[C@H]1CCCC[C@H]1n1ccc(C)n1	70688120	343525605	/nfs/dbraw/zinc/52/56/05/343525605.db2.gz	NQSXIIWNUBEWAQ-NWDGAFQWSA-N	0	0	192.306	3.333	10	0		AGAERN
CC[C@H]1CCCC[C@@H]1n1ccc(C)n1	70688114	343525670	/nfs/dbraw/zinc/52/56/70/343525670.db2.gz	NQSXIIWNUBEWAQ-RYUDHWBXSA-N	0	0	192.306	3.333	10	0		AGAERN
C[C@@H]1C[C@H](C2CC2)c2ccccc2N1	70709634	343526465	/nfs/dbraw/zinc/52/64/65/343526465.db2.gz	QEPARLUIHZQJHR-BXKDBHETSA-N	0	0	187.286	3.384	10	0		AGAERN
CC(C)C[C@@H]1CNc2ccccc2C1	70709464	343526507	/nfs/dbraw/zinc/52/65/07/343526507.db2.gz	HLYNKJWSNZLQDI-NSHDSACASA-N	0	0	189.302	3.317	10	0		AGAERN
C[C@@H]1C[C@@H](C2CC2)c2ccccc2N1	70709637	343526643	/nfs/dbraw/zinc/52/66/43/343526643.db2.gz	QEPARLUIHZQJHR-SKDRFNHKSA-N	0	0	187.286	3.384	10	0		AGAERN
O=C1CCC[C@@H](Cc2cccs2)C1	70737862	343527211	/nfs/dbraw/zinc/52/72/11/343527211.db2.gz	FENVNDAPYNNUNS-SECBINFHSA-N	0	0	194.299	3.050	10	0		AGAERN
CC[C@H](C)C[C@@H]1CCCC(=O)C1	70737674	343527222	/nfs/dbraw/zinc/52/72/22/343527222.db2.gz	OHGJWKZFZRWQQF-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
O=C1CCC[C@H](Cc2ccsc2)C1	70737816	343527271	/nfs/dbraw/zinc/52/72/71/343527271.db2.gz	ZCGNVMVWRNCYTB-SECBINFHSA-N	0	0	194.299	3.050	10	0		AGAERN
O=C1CCC[C@H](Cc2cccs2)C1	70737864	343527274	/nfs/dbraw/zinc/52/72/74/343527274.db2.gz	FENVNDAPYNNUNS-VIFPVBQESA-N	0	0	194.299	3.050	10	0		AGAERN
O=C1CCC[C@H](CC2CCCC2)C1	70737819	343527308	/nfs/dbraw/zinc/52/73/08/343527308.db2.gz	DJTBYWDDAPVGMQ-LLVKDONJSA-N	0	0	180.291	3.326	10	0		AGAERN
O=C1CCC[C@@H](Cc2ccsc2)C1	70737813	343527312	/nfs/dbraw/zinc/52/73/12/343527312.db2.gz	ZCGNVMVWRNCYTB-VIFPVBQESA-N	0	0	194.299	3.050	10	0		AGAERN
CC[C@@H](C)C[C@@H]1CCCC(=O)C1	70737670	343527376	/nfs/dbraw/zinc/52/73/76/343527376.db2.gz	OHGJWKZFZRWQQF-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H](C)C[C@H]1CCCC(=O)C1	70737677	343527400	/nfs/dbraw/zinc/52/74/00/343527400.db2.gz	OHGJWKZFZRWQQF-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
O=C1CCC[C@@H](CC2CCCC2)C1	70737817	343527416	/nfs/dbraw/zinc/52/74/16/343527416.db2.gz	DJTBYWDDAPVGMQ-NSHDSACASA-N	0	0	180.291	3.326	10	0		AGAERN
Cc1cc(C)cc([C@H]2CCC(=O)C2)c1	70738270	343527514	/nfs/dbraw/zinc/52/75/14/343527514.db2.gz	AMYXWCJDJSEOHB-NSHDSACASA-N	0	0	188.270	3.140	10	0		AGAERN
CC(C)(C)CC[C@@H]1CCC(=O)C1	70738432	343527521	/nfs/dbraw/zinc/52/75/21/343527521.db2.gz	XUSPYMBMSCVYGA-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
C[C@@H]1CCC[C@@H]([C@@H]2CCC(=O)C2)C1	70738393	343527537	/nfs/dbraw/zinc/52/75/37/343527537.db2.gz	VPVDXNJDCXQMHT-GMTAPVOTSA-N	0	0	180.291	3.182	10	0		AGAERN
O=C1CC[C@H](CC2CCCCC2)C1	70738353	343527562	/nfs/dbraw/zinc/52/75/62/343527562.db2.gz	GLVTXYANAFYMFH-LLVKDONJSA-N	0	0	180.291	3.326	10	0		AGAERN
O=C1CC[C@@H](CCc2ccsc2)C1	70738309	343527637	/nfs/dbraw/zinc/52/76/37/343527637.db2.gz	JMTYWYBDZOSEMW-SECBINFHSA-N	0	0	194.299	3.050	10	0		AGAERN
CC(C)(C)CC[C@H]1CCC(=O)C1	70738434	343527648	/nfs/dbraw/zinc/52/76/48/343527648.db2.gz	XUSPYMBMSCVYGA-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1ccc([C@H]2CCC(=O)C2)c(C)c1	70738308	343527665	/nfs/dbraw/zinc/52/76/65/343527665.db2.gz	ZKGLBSPFFQNWQP-NSHDSACASA-N	0	0	188.270	3.140	10	0		AGAERN
C[C@@H]1CCC[C@H]([C@@H]2CCC(=O)C2)C1	70738390	343527685	/nfs/dbraw/zinc/52/76/85/343527685.db2.gz	VPVDXNJDCXQMHT-OUAUKWLOSA-N	0	0	180.291	3.182	10	0		AGAERN
O=C1CC[C@H](CCc2ccsc2)C1	70738312	343527768	/nfs/dbraw/zinc/52/77/68/343527768.db2.gz	JMTYWYBDZOSEMW-VIFPVBQESA-N	0	0	194.299	3.050	10	0		AGAERN
Cc1cc(C)cc([C@@H]2CCC(=O)C2)c1	70738266	343527853	/nfs/dbraw/zinc/52/78/53/343527853.db2.gz	AMYXWCJDJSEOHB-LLVKDONJSA-N	0	0	188.270	3.140	10	0		AGAERN
O=C1CC[C@@H](CC2CCCCC2)C1	70738352	343527883	/nfs/dbraw/zinc/52/78/83/343527883.db2.gz	GLVTXYANAFYMFH-NSHDSACASA-N	0	0	180.291	3.326	10	0		AGAERN
O=C1CCCC[C@H](c2cccs2)C1	70740217	343528105	/nfs/dbraw/zinc/52/81/05/343528105.db2.gz	QQUJQAVHXDNQPY-VIFPVBQESA-N	0	0	194.299	3.365	10	0		AGAERN
O=C1CCCC[C@@H](C2CCCC2)C1	70740311	343528148	/nfs/dbraw/zinc/52/81/48/343528148.db2.gz	VJKOEDSFZLZKMV-LLVKDONJSA-N	0	0	180.291	3.326	10	0		AGAERN
CC[C@@H]1CC[C@@](O)(c2ccccc2)C1	70765696	343529402	/nfs/dbraw/zinc/52/94/02/343529402.db2.gz	FYYNANSBQSHDRJ-YPMHNXCESA-N	0	0	190.286	3.084	10	0		AGAERN
CC[C@H]1CC[C@](O)(c2ccccc2)C1	70765694	343529440	/nfs/dbraw/zinc/52/94/40/343529440.db2.gz	FYYNANSBQSHDRJ-WCQYABFASA-N	0	0	190.286	3.084	10	0		AGAERN
CC[C@@H]1CC[C@](O)(c2cccs2)C1	70765295	343529468	/nfs/dbraw/zinc/52/94/68/343529468.db2.gz	MNKZROKPMYMMBP-MWLCHTKSSA-N	0	0	196.315	3.146	10	0		AGAERN
CC[C@H]1CC[C@](O)(c2cccs2)C1	70765296	343529482	/nfs/dbraw/zinc/52/94/82/343529482.db2.gz	MNKZROKPMYMMBP-GXSJLCMTSA-N	0	0	196.315	3.146	10	0		AGAERN
CC[C@@H]1CC[C@@](O)(c2cccs2)C1	70765298	343529495	/nfs/dbraw/zinc/52/94/95/343529495.db2.gz	MNKZROKPMYMMBP-KOLCDFICSA-N	0	0	196.315	3.146	10	0		AGAERN
CC[C@H]1CC[C@@](O)(c2ccccc2)C1	70765697	343529536	/nfs/dbraw/zinc/52/95/36/343529536.db2.gz	FYYNANSBQSHDRJ-AAEUAGOBSA-N	0	0	190.286	3.084	10	0		AGAERN
CC[C@@H]1CC[C@@](O)(C2CCCC2)C1	70765265	343529581	/nfs/dbraw/zinc/52/95/81/343529581.db2.gz	VBJGQRIQQQGCQX-PWSUYJOCSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@@H]1CC[C@](O)(c2ccccc2)C1	70765692	343529590	/nfs/dbraw/zinc/52/95/90/343529590.db2.gz	FYYNANSBQSHDRJ-DGCLKSJQSA-N	0	0	190.286	3.084	10	0		AGAERN
CC[C@@H]1CC[C@](O)(C2CCCC2)C1	70765261	343529646	/nfs/dbraw/zinc/52/96/46/343529646.db2.gz	VBJGQRIQQQGCQX-ZYHUDNBSSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@H]1CC[C@@](O)(c2cccs2)C1	70765300	343529683	/nfs/dbraw/zinc/52/96/83/343529683.db2.gz	MNKZROKPMYMMBP-ONGXEEELSA-N	0	0	196.315	3.146	10	0		AGAERN
CC[C@H]1CC[C@](O)(C2CCCC2)C1	70765263	343529712	/nfs/dbraw/zinc/52/97/12/343529712.db2.gz	VBJGQRIQQQGCQX-CMPLNLGQSA-N	0	0	182.307	3.118	10	0		AGAERN
O[C@H]1CCCC[C@@H](C2CCCC2)C1	70776403	343531637	/nfs/dbraw/zinc/53/16/37/343531637.db2.gz	INBDLNJVZNRTMU-NEPJUHHUSA-N	0	0	182.307	3.118	10	0		AGAERN
O[C@H]1CCCC[C@H](C2CCCC2)C1	70776405	343531689	/nfs/dbraw/zinc/53/16/89/343531689.db2.gz	INBDLNJVZNRTMU-RYUDHWBXSA-N	0	0	182.307	3.118	10	0		AGAERN
O[C@@H]1CCCC[C@@H](C2CCCC2)C1	70776408	343531870	/nfs/dbraw/zinc/53/18/70/343531870.db2.gz	INBDLNJVZNRTMU-VXGBXAGGSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1csc(N[C@@H]2CCC[C@@H]2C)n1	70833199	343535268	/nfs/dbraw/zinc/53/52/68/343535268.db2.gz	WMKYWMIPLAFEEB-IONNQARKSA-N	0	0	196.319	3.052	10	0		AGAERN
Cc1ccc(C)n1[C@@H]1CCC[C@H]1C	70834583	343535602	/nfs/dbraw/zinc/53/56/02/343535602.db2.gz	DBEZZZQCDYZPHV-BXKDBHETSA-N	0	0	177.291	3.466	10	0		AGAERN
Cc1ccc(C)n1[C@H]1CCC[C@H]1C	70834585	343535669	/nfs/dbraw/zinc/53/56/69/343535669.db2.gz	DBEZZZQCDYZPHV-SKDRFNHKSA-N	0	0	177.291	3.466	10	0		AGAERN
Cc1ccc(C)n1[C@@H]1CCC[C@@H]1C	70834576	343535701	/nfs/dbraw/zinc/53/57/01/343535701.db2.gz	DBEZZZQCDYZPHV-JOYOIKCWSA-N	0	0	177.291	3.466	10	0		AGAERN
Cc1ccc(C)n1[C@H]1CCC[C@@H]1C	70834581	343535751	/nfs/dbraw/zinc/53/57/51/343535751.db2.gz	DBEZZZQCDYZPHV-CABZTGNLSA-N	0	0	177.291	3.466	10	0		AGAERN
OC1(CCC(F)(F)F)CCCCC1	70916704	343541828	/nfs/dbraw/zinc/54/18/28/343541828.db2.gz	SRQUASYIZJKCEB-UHFFFAOYSA-N	0	0	196.212	3.024	10	0		AGAERN
Cc1cn(Cc2ccccc2)c(C)c1C	70980206	343546289	/nfs/dbraw/zinc/54/62/89/343546289.db2.gz	IFTDKYJMJXHGPQ-UHFFFAOYSA-N	0	0	199.297	3.462	10	0		AGAERN
O=C(CCC1CCCCC1)C1CC1	71002975	343547874	/nfs/dbraw/zinc/54/78/74/343547874.db2.gz	JJKYDFAOBXGAOK-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
CC[C@@H]1CNc2c(F)ccc(C)c2C1	71049508	343549595	/nfs/dbraw/zinc/54/95/95/343549595.db2.gz	TVKUZEDRHSKONT-VIFPVBQESA-N	0	0	193.265	3.128	10	0		AGAERN
CC[C@@H]1CNc2c(F)cc(C)cc2C1	71049386	343549683	/nfs/dbraw/zinc/54/96/83/343549683.db2.gz	JXRFCCAEANZWQN-VIFPVBQESA-N	0	0	193.265	3.128	10	0		AGAERN
CC[C@@H]1CNc2c(C)ccc(F)c2C1	71049365	343549690	/nfs/dbraw/zinc/54/96/90/343549690.db2.gz	NRUAMHIAPMATOA-VIFPVBQESA-N	0	0	193.265	3.128	10	0		AGAERN
CCCc1ccc2c(c1)C[C@H](C)CN2	71049336	343549707	/nfs/dbraw/zinc/54/97/07/343549707.db2.gz	KFYSNNBQHYUYPE-JTQLQIEISA-N	0	0	189.302	3.243	10	0		AGAERN
CCC[C@@H](C)c1nnc(Cl)s1	71050852	343549773	/nfs/dbraw/zinc/54/97/73/343549773.db2.gz	UAVZFKYICLELBP-RXMQYKEDSA-N	0	0	190.699	3.095	10	0		AGAERN
CC[C@H]1CNc2c(F)ccc(C)c2C1	71049506	343549850	/nfs/dbraw/zinc/54/98/50/343549850.db2.gz	TVKUZEDRHSKONT-SECBINFHSA-N	0	0	193.265	3.128	10	0		AGAERN
CCCc1ccc2c(c1)C[C@@H](C)CN2	71049339	343549930	/nfs/dbraw/zinc/54/99/30/343549930.db2.gz	KFYSNNBQHYUYPE-SNVBAGLBSA-N	0	0	189.302	3.243	10	0		AGAERN
CCC(CC)c1nnc(Cl)s1	71050526	343549945	/nfs/dbraw/zinc/54/99/45/343549945.db2.gz	KSKODMCJMDHIOJ-UHFFFAOYSA-N	0	0	190.699	3.095	10	0		AGAERN
CCC[C@H](C)c1nnc(Cl)s1	71050855	343549988	/nfs/dbraw/zinc/54/99/88/343549988.db2.gz	UAVZFKYICLELBP-YFKPBYRVSA-N	0	0	190.699	3.095	10	0		AGAERN
CC[C@H]1CNc2c(C)ccc(F)c2C1	71049363	343550018	/nfs/dbraw/zinc/55/00/18/343550018.db2.gz	NRUAMHIAPMATOA-SECBINFHSA-N	0	0	193.265	3.128	10	0		AGAERN
CC[C@H]1CNc2c(F)cc(C)cc2C1	71049384	343550027	/nfs/dbraw/zinc/55/00/27/343550027.db2.gz	JXRFCCAEANZWQN-SECBINFHSA-N	0	0	193.265	3.128	10	0		AGAERN
Cc1cc(C(=O)C2CC2)ccc1Cl	71453756	343552662	/nfs/dbraw/zinc/55/26/62/343552662.db2.gz	MEGKIZGDTYNAGM-UHFFFAOYSA-N	0	0	194.661	3.241	10	0		AGAERN
C[C@H]1CCc2cccc(Cl)c2N1	71479823	343553594	/nfs/dbraw/zinc/55/35/94/343553594.db2.gz	PYQBJECWXOUNTM-ZETCQYMHSA-N	0	0	181.666	3.087	10	0		AGAERN
CCc1ccc2[nH]c(C)cc2c1	71494921	343553992	/nfs/dbraw/zinc/55/39/92/343553992.db2.gz	YQCBUXVHYQOBDC-UHFFFAOYSA-N	0	0	159.232	3.039	10	0		AGAERN
CC[C@@H]1CNc2c(C)cc(C)cc21	71486397	343554047	/nfs/dbraw/zinc/55/40/47/343554047.db2.gz	MREDEEBCAAEINK-SNVBAGLBSA-N	0	0	175.275	3.223	10	0		AGAERN
CC[C@H]1CNc2c(C)cc(C)cc21	71486399	343554190	/nfs/dbraw/zinc/55/41/90/343554190.db2.gz	MREDEEBCAAEINK-JTQLQIEISA-N	0	0	175.275	3.223	10	0		AGAERN
Cc1ccc(C(=O)C2(C)CC2)cc1C	71500234	343554914	/nfs/dbraw/zinc/55/49/14/343554914.db2.gz	DZELSCXWQWXEHU-UHFFFAOYSA-N	0	0	188.270	3.286	10	0		AGAERN
Cc1cc(C)c(C(=O)C2CC2)cc1C	71500250	343554958	/nfs/dbraw/zinc/55/49/58/343554958.db2.gz	LJWUMQQNTWDLLZ-UHFFFAOYSA-N	0	0	188.270	3.205	10	0		AGAERN
Cc1cc(C(=O)C2(C)CC2)ccc1F	71506077	343555585	/nfs/dbraw/zinc/55/55/85/343555585.db2.gz	XSUNTQYELSOKQK-UHFFFAOYSA-N	0	0	192.233	3.117	10	0		AGAERN
CC[C@H](C)Nc1ccc(C(C)=O)cc1	71505956	343555691	/nfs/dbraw/zinc/55/56/91/343555691.db2.gz	NGVUKQZXUBCXHW-VIFPVBQESA-N	0	0	191.274	3.100	10	0		AGAERN
CC1(C(=O)c2ccc(Cl)cc2)CC1	71506941	343555961	/nfs/dbraw/zinc/55/59/61/343555961.db2.gz	GJEXJDLCSKLIQX-UHFFFAOYSA-N	0	0	194.661	3.323	10	0		AGAERN
Cc1cc(F)c(F)c(F)c1Cl	71624241	343556934	/nfs/dbraw/zinc/55/69/34/343556934.db2.gz	NOHBFAVLOPYGIE-UHFFFAOYSA-N	0	0	180.556	3.066	10	0		AGAERN
CC[C@H](C)Oc1ccccc1C	71790976	343558673	/nfs/dbraw/zinc/55/86/73/343558673.db2.gz	SYYFHOGBGDFKFA-JTQLQIEISA-N	0	0	164.248	3.172	10	0		AGAERN
CC[C@@H](C)Oc1ccccc1C	71790975	343559042	/nfs/dbraw/zinc/55/90/42/343559042.db2.gz	SYYFHOGBGDFKFA-SNVBAGLBSA-N	0	0	164.248	3.172	10	0		AGAERN
CC1[C@@H](C)CCC[C@H]1C	72099274	343559389	/nfs/dbraw/zinc/55/93/89/343559389.db2.gz	DQTVJLHNWPRPPH-JVHMLUBASA-N	0	0	126.243	3.079	10	0		AGAERN
Cc1cc(C)c2c(C)ccnc2c1	72139593	343559393	/nfs/dbraw/zinc/55/93/93/343559393.db2.gz	KZZXZRKAUIZKQQ-UHFFFAOYSA-N	0	0	171.243	3.160	10	0		AGAERN
CC(C)Cn1ccc2ccccc21	71863862	343559499	/nfs/dbraw/zinc/55/94/99/343559499.db2.gz	ZOHDDNDXUPTLTK-UHFFFAOYSA-N	0	0	173.259	3.297	10	0		AGAERN
Cc1cccc(-c2ccoc2)c1	72194443	343560488	/nfs/dbraw/zinc/56/04/88/343560488.db2.gz	UPWNBEFGIHTICP-UHFFFAOYSA-N	0	0	158.200	3.255	10	0		AGAERN
Cc1ccccc1-c1ccoc1	72194442	343560492	/nfs/dbraw/zinc/56/04/92/343560492.db2.gz	HBPOIHABNARRCD-UHFFFAOYSA-N	0	0	158.200	3.255	10	0		AGAERN
Cc1ccc(N)c([C@@H]2C=CCC2)c1	75563787	343577812	/nfs/dbraw/zinc/57/78/12/343577812.db2.gz	RPZWCGUFDWFECP-SNVBAGLBSA-N	0	0	173.259	3.011	10	0		AGAERN
Cc1ccc(N)c([C@H]2C=CCC2)c1	75563785	343577951	/nfs/dbraw/zinc/57/79/51/343577951.db2.gz	RPZWCGUFDWFECP-JTQLQIEISA-N	0	0	173.259	3.011	10	0		AGAERN
Cc1cnc(C2CCCCC2)s1	75841313	343578167	/nfs/dbraw/zinc/57/81/67/343578167.db2.gz	QSLPGSJGZHZEIJ-UHFFFAOYSA-N	0	0	181.304	3.499	10	0		AGAERN
C=C=C/C=C/c1ccccc1	78062063	343581716	/nfs/dbraw/zinc/58/17/16/343581716.db2.gz	KPHHUUWPMZUNNZ-VMPITWQZSA-N	0	0	142.201	3.041	10	0		AGAERN
CCC1[C@@H](C)CCC[C@@H]1C	78138459	343581864	/nfs/dbraw/zinc/58/18/64/343581864.db2.gz	QZUJWESVOYGMQY-IUCAKERBSA-N	0	0	140.270	3.469	10	0		AGAERN
CCC1[C@H](C)CCC[C@H]1C	78138463	343581890	/nfs/dbraw/zinc/58/18/90/343581890.db2.gz	QZUJWESVOYGMQY-RKDXNWHRSA-N	0	0	140.270	3.469	10	0		AGAERN
c1ccc(CC2CCCCC2)nc1	77943166	343581897	/nfs/dbraw/zinc/58/18/97/343581897.db2.gz	MOOHIXDFNMSRCE-UHFFFAOYSA-N	0	0	175.275	3.204	10	0		AGAERN
C[C@@H]1CC[C@H]2CCC[C@@H]2C1	78221395	343582177	/nfs/dbraw/zinc/58/21/77/343582177.db2.gz	GCHPEYBINOWUBI-OPRDCNLKSA-N	0	0	138.254	3.223	10	0		AGAERN
C[C@@H]1CC[C@@H]2CCC[C@@H]2C1	78221393	343582258	/nfs/dbraw/zinc/58/22/58/343582258.db2.gz	GCHPEYBINOWUBI-KXUCPTDWSA-N	0	0	138.254	3.223	10	0		AGAERN
C/C=C/Cc1ccc(C)cc1	78374632	343582808	/nfs/dbraw/zinc/58/28/08/343582808.db2.gz	ZVIJJVLFWYRYBC-ONEGZZNKSA-N	0	0	146.233	3.114	10	0		AGAERN
CC(C)=C/C=C/C(C)C	78954733	343585735	/nfs/dbraw/zinc/58/57/35/343585735.db2.gz	HQTKNGJJNNTBLG-AATRIKPKSA-N	0	0	124.227	3.165	10	0		AGAERN
C/C=C(\Cl)Cc1ccccc1	79093679	343586260	/nfs/dbraw/zinc/58/62/60/343586260.db2.gz	NKGAPYOBDADCJM-SGAXSIHGSA-N	0	0	166.651	3.372	10	0		AGAERN
CCC[C@H]1CC=CCC1	79199222	343586828	/nfs/dbraw/zinc/58/68/28/343586828.db2.gz	KNEBOBXOCJOCIP-VIFPVBQESA-N	0	0	124.227	3.143	10	0		AGAERN
C/C=C\c1ccc(C)cc1	79185679	343587023	/nfs/dbraw/zinc/58/70/23/343587023.db2.gz	LSMSSYSRCUNIFX-ARJAWSKDSA-N	0	0	132.206	3.028	10	0		AGAERN
CCC[C@@H]1CC=CCC1	79199225	343587061	/nfs/dbraw/zinc/58/70/61/343587061.db2.gz	KNEBOBXOCJOCIP-SECBINFHSA-N	0	0	124.227	3.143	10	0		AGAERN
c1ccc2c(c1)ccn2CC1CC1	79463548	343589111	/nfs/dbraw/zinc/58/91/11/343589111.db2.gz	ANSALCUZCLZWSI-UHFFFAOYSA-N	0	0	171.243	3.051	10	0		AGAERN
C/C=C(\C)c1ccc(C)cc1	79468930	343589118	/nfs/dbraw/zinc/58/91/18/343589118.db2.gz	DXUWNFYPTIECOG-ONNFQVAWSA-N	0	0	146.233	3.418	10	0		AGAERN
C/C=C(/C)c1ccc(C)cc1	79468932	343589134	/nfs/dbraw/zinc/58/91/34/343589134.db2.gz	DXUWNFYPTIECOG-WMZJFQQLSA-N	0	0	146.233	3.418	10	0		AGAERN
c1ccc(CCC2CC2)cc1	79456898	343589173	/nfs/dbraw/zinc/58/91/73/343589173.db2.gz	KANJURUEJQFVCA-UHFFFAOYSA-N	0	0	146.233	3.029	10	0		AGAERN
CCCC1(O)CCC(C)(C)CC1	79657271	343589860	/nfs/dbraw/zinc/58/98/60/343589860.db2.gz	HVBJDYQFZYWZOG-UHFFFAOYSA-N	0	0	170.296	3.118	10	0		AGAERN
CCCCCC[C@H](C)OC(=O)CC	79601901	343589962	/nfs/dbraw/zinc/58/99/62/343589962.db2.gz	AJJGEXYNDGEAQF-JTQLQIEISA-N	0	0	186.295	3.299	10	0		AGAERN
Cc1cc2c(cc1C)CCCC2	81192132	343593021	/nfs/dbraw/zinc/59/30/21/343593021.db2.gz	MHPANBVNWFIJJM-UHFFFAOYSA-N	0	0	160.260	3.182	10	0		AGAERN
C[C@H]1CCCc2ccccc21	81915078	343594529	/nfs/dbraw/zinc/59/45/29/343594529.db2.gz	APBBTKKLSNPFDP-VIFPVBQESA-N	0	0	146.233	3.126	10	0		AGAERN
Cl/C=C\C1CCCCC1	81974006	343594595	/nfs/dbraw/zinc/59/45/95/343594595.db2.gz	YVVZMSBDWZBPCS-SREVYHEPSA-N	0	0	144.645	3.319	10	0		AGAERN
CC(C)[C@@H]1CC[C@H](C)C1	82051307	343594841	/nfs/dbraw/zinc/59/48/41/343594841.db2.gz	CDTDMKCVKCGRPD-DTWKUNHWSA-N	0	0	126.243	3.079	10	0		AGAERN
C1=Cc2cc3ccccc3cc2C1	82028090	343594885	/nfs/dbraw/zinc/59/48/85/343594885.db2.gz	LJVOKUMRGBIJGP-UHFFFAOYSA-N	0	0	166.223	3.409	10	0		AGAERN
CC(C)[C@H]1CC[C@@H](C)C1	82051301	343594921	/nfs/dbraw/zinc/59/49/21/343594921.db2.gz	CDTDMKCVKCGRPD-BDAKNGLRSA-N	0	0	126.243	3.079	10	0		AGAERN
CC(C)[C@@H]1CC[C@@H](C)C1	82051306	343594974	/nfs/dbraw/zinc/59/49/74/343594974.db2.gz	CDTDMKCVKCGRPD-RKDXNWHRSA-N	0	0	126.243	3.079	10	0		AGAERN
C=C=CCCCc1ccccc1	82042196	343594977	/nfs/dbraw/zinc/59/49/77/343594977.db2.gz	IILZSJGDSBDTAL-UHFFFAOYSA-N	0	0	158.244	3.350	10	0		AGAERN
CC(C)[C@H]1CC[C@H](C)C1	82051304	343595124	/nfs/dbraw/zinc/59/51/24/343595124.db2.gz	CDTDMKCVKCGRPD-IUCAKERBSA-N	0	0	126.243	3.079	10	0		AGAERN
CCCCC[C@@H](C)C(=O)CC	82442772	343604355	/nfs/dbraw/zinc/60/43/55/343604355.db2.gz	BYSPXHLWIARMJU-SECBINFHSA-N	0	0	156.269	3.182	10	0		AGAERN
CC[C@@H](C)C(=O)CCc1ccccc1	82561262	343606439	/nfs/dbraw/zinc/60/64/39/343606439.db2.gz	DMYQWNWRWCENIJ-LLVKDONJSA-N	0	0	190.286	3.234	10	0		AGAERN
CC[C@H](C)C(=O)CCc1ccccc1	82561263	343606494	/nfs/dbraw/zinc/60/64/94/343606494.db2.gz	DMYQWNWRWCENIJ-NSHDSACASA-N	0	0	190.286	3.234	10	0		AGAERN
O=Cc1ccc(SC2CCCC2)o1	82613713	343607798	/nfs/dbraw/zinc/60/77/98/343607798.db2.gz	IVXCNNSLOADDBZ-UHFFFAOYSA-N	0	0	196.271	3.127	10	0		AGAERN
Fc1ccc(-c2cc(Cl)on2)cc1	82703666	343610700	/nfs/dbraw/zinc/61/07/00/343610700.db2.gz	SCRXBYPGBVETDN-UHFFFAOYSA-N	0	0	197.596	3.134	10	0		AGAERN
Cc1cccc(C)c1Nc1ccccn1	82714471	343611413	/nfs/dbraw/zinc/61/14/13/343611413.db2.gz	JFOFKAMVQRNPPL-UHFFFAOYSA-N	0	0	198.269	3.442	10	0		AGAERN
CCCCC[C@@H]1CCC(=O)[C@H]1C	83001613	343616257	/nfs/dbraw/zinc/61/62/57/343616257.db2.gz	HVUHGDCPFBXESX-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
CCCCCC[C@H](O)CSCC	83484745	343620743	/nfs/dbraw/zinc/62/07/43/343620743.db2.gz	ICHGUMJVEAIRFI-JTQLQIEISA-N	0	0	190.352	3.071	10	0		AGAERN
CCCCCC[C@@H](O)CSCC	83484746	343620791	/nfs/dbraw/zinc/62/07/91/343620791.db2.gz	ICHGUMJVEAIRFI-SNVBAGLBSA-N	0	0	190.352	3.071	10	0		AGAERN
Cc1cc(C)cc(C(=O)[C@@H]2C[C@@H]2C)c1	83807063	343623986	/nfs/dbraw/zinc/62/39/86/343623986.db2.gz	RKMBKJXKQOIWTP-CMPLNLGQSA-N	0	0	188.270	3.142	10	0		AGAERN
Cc1cc(C)cc(C(=O)[C@H]2C[C@@H]2C)c1	83807065	343624208	/nfs/dbraw/zinc/62/42/08/343624208.db2.gz	RKMBKJXKQOIWTP-JQWIXIFHSA-N	0	0	188.270	3.142	10	0		AGAERN
Cc1cc(C)cc(C(=O)[C@@H]2C[C@H]2C)c1	83807067	343624278	/nfs/dbraw/zinc/62/42/78/343624278.db2.gz	RKMBKJXKQOIWTP-ZYHUDNBSSA-N	0	0	188.270	3.142	10	0		AGAERN
Cc1ccccc1-c1c[nH]c(=S)[nH]1	83824306	343625269	/nfs/dbraw/zinc/62/52/69/343625269.db2.gz	JQVKQRPVJKOBAQ-UHFFFAOYSA-N	0	0	190.271	3.048	10	0		AGAERN
CC(C)c1ccccc1NC1CC1	84444309	343636905	/nfs/dbraw/zinc/63/69/05/343636905.db2.gz	PLDOCSOTVTUCAL-UHFFFAOYSA-N	0	0	175.275	3.384	10	0		AGAERN
C=C/C=C\CCCCC	86046900	343649203	/nfs/dbraw/zinc/64/92/03/343649203.db2.gz	CLNYHERYALISIR-ALCCZGGFSA-N	0	0	124.227	3.309	10	0		AGAERN
CC(C)C(=O)[C@@H](C)c1ccccc1	86167393	343650091	/nfs/dbraw/zinc/65/00/91/343650091.db2.gz	PIHILDSKUZXCLF-JTQLQIEISA-N	0	0	176.259	3.015	10	0		AGAERN
CC[C@H](C)OC(=S)CC(C)C	87492907	343661964	/nfs/dbraw/zinc/66/19/64/343661964.db2.gz	BTJPFKNQABRTTF-QMMMGPOBSA-N	0	0	174.309	3.175	10	0		AGAERN
CC/C=C/Cc1ccccc1	88243954	343669511	/nfs/dbraw/zinc/66/95/11/343669511.db2.gz	OLYAJUIZHQSQRP-HWKANZROSA-N	0	0	146.233	3.195	10	0		AGAERN
CC(C)(C)c1cc2cc[nH]c2cc1N	88259900	343669929	/nfs/dbraw/zinc/66/99/29/343669929.db2.gz	LXEJBOFYEFVYJI-UHFFFAOYSA-N	0	0	188.274	3.048	10	0		AGAERN
CC[C@H](C)c1c[nH]c2cc(N)ccc12	88259893	343670088	/nfs/dbraw/zinc/67/00/88/343670088.db2.gz	HKKPVMJMEGGRLT-QMMMGPOBSA-N	0	0	188.274	3.264	10	0		AGAERN
CC[C@@H](C)c1c[nH]c2cc(N)ccc12	88259892	343670132	/nfs/dbraw/zinc/67/01/32/343670132.db2.gz	HKKPVMJMEGGRLT-MRVPVSSYSA-N	0	0	188.274	3.264	10	0		AGAERN
CC(C)c1cc(Cl)c2c[nH]nc2c1	89196516	343672199	/nfs/dbraw/zinc/67/21/99/343672199.db2.gz	DCOPLYVVFZSECE-UHFFFAOYSA-N	0	0	194.665	3.340	10	0	in-vitro	AGAERN
CCC(=O)c1ccc2ccsc2c1	89195384	343672289	/nfs/dbraw/zinc/67/22/89/343672289.db2.gz	VCPCOGDVBWCGRT-UHFFFAOYSA-N	0	0	190.267	3.494	10	0		AGAERN
CC[C@@H](O)c1ccc2sccc2c1	89195364	343672303	/nfs/dbraw/zinc/67/23/03/343672303.db2.gz	WLOGQGZGZXPRHT-SNVBAGLBSA-N	0	0	192.283	3.345	10	0		AGAERN
CC[C@H](O)c1ccc2sccc2c1	89195363	343672317	/nfs/dbraw/zinc/67/23/17/343672317.db2.gz	WLOGQGZGZXPRHT-JTQLQIEISA-N	0	0	192.283	3.345	10	0		AGAERN
CCC(=O)c1ccc2sccc2c1	89195353	343672323	/nfs/dbraw/zinc/67/23/23/343672323.db2.gz	FUKKCNCTSXYISG-UHFFFAOYSA-N	0	0	190.267	3.494	10	0		AGAERN
CCC(=O)c1cccc2sccc12	89195294	343672401	/nfs/dbraw/zinc/67/24/01/343672401.db2.gz	IZVCGIDKDUMFKQ-UHFFFAOYSA-N	0	0	190.267	3.494	10	0		AGAERN
CCCCOc1cccc2cc[nH]c12	89209366	343673193	/nfs/dbraw/zinc/67/31/93/343673193.db2.gz	PIKPCGWVCJWTPD-UHFFFAOYSA-N	0	0	189.258	3.347	10	0		AGAERN
CCCC(=O)c1cccc2cc[nH]c12	89209185	343673231	/nfs/dbraw/zinc/67/32/31/343673231.db2.gz	VQVSFBTZIGJYAS-UHFFFAOYSA-N	0	0	187.242	3.151	10	0		AGAERN
Cc1ccc(C(F)(F)F)c2cc[nH]c12	89204573	343673273	/nfs/dbraw/zinc/67/32/73/343673273.db2.gz	BQCZVCHRGHFCKU-UHFFFAOYSA-N	0	0	199.175	3.495	10	0		AGAERN
Cc1c[nH]c2c(C(F)(F)F)cccc12	89203982	343673375	/nfs/dbraw/zinc/67/33/75/343673375.db2.gz	GGOUKIHGCHDYJF-UHFFFAOYSA-N	0	0	199.175	3.495	10	0		AGAERN
CC1(C)C[C@@H]1c1cccc2c1NCC2	89210213	343673399	/nfs/dbraw/zinc/67/33/99/343673399.db2.gz	ZUQWUNMJOTYFKT-LLVKDONJSA-N	0	0	187.286	3.168	10	0		AGAERN
Cc1c(C(F)(F)F)ccc2cc[nH]c12	89209054	343673432	/nfs/dbraw/zinc/67/34/32/343673432.db2.gz	JCXMAPURBMNAGC-UHFFFAOYSA-N	0	0	199.175	3.495	10	0		AGAERN
CCCCc1nc2ncccc2s1	89229290	343674009	/nfs/dbraw/zinc/67/40/09/343674009.db2.gz	VLQHGPKNARQKRR-UHFFFAOYSA-N	0	0	192.287	3.034	10	0		AGAERN
Cc1cnc(Cc2ccccc2)s1	90212037	343674460	/nfs/dbraw/zinc/67/44/60/343674460.db2.gz	CDHCIQSRFUJKMH-UHFFFAOYSA-N	0	0	189.283	3.042	10	0		AGAERN
CC[C@]1(Br)C=CC=CC1	90414971	343675665	/nfs/dbraw/zinc/67/56/65/343675665.db2.gz	NNVHOVUTBOPOKO-QMMMGPOBSA-N	0	0	187.080	3.046	10	0		AGAERN
CC(C)=CCC/C(C)=C/C(C)(C)O	90756079	343676999	/nfs/dbraw/zinc/67/69/99/343676999.db2.gz	BPIALUCKEZWHIF-PKNBQFBNSA-N	0	0	182.307	3.450	10	0	endogenous,in-man	AGAERN
CC1=C(C)[C@@H](C)CCC1	91353431	343677397	/nfs/dbraw/zinc/67/73/97/343677397.db2.gz	WCXPIAKENXAPPI-ZETCQYMHSA-N	0	0	124.227	3.143	10	0		AGAERN
CC1=C(C)[C@H](C)CCC1	91353430	343677520	/nfs/dbraw/zinc/67/75/20/343677520.db2.gz	WCXPIAKENXAPPI-SSDOTTSWSA-N	0	0	124.227	3.143	10	0		AGAERN
CCCc1c(C)cccc1C	95828784	343687548	/nfs/dbraw/zinc/68/75/48/343687548.db2.gz	POVRSTNZQPBWAS-UHFFFAOYSA-N	0	0	148.249	3.256	10	0		AGAERN
Cc1cc(Cl)nc2cscc12	95756376	343687618	/nfs/dbraw/zinc/68/76/18/343687618.db2.gz	KNYRJDJCSDZOBL-UHFFFAOYSA-N	0	0	183.663	3.258	10	0		AGAERN
Cc1cc(C)n2c1[nH]c1ccccc12	95923850	343690134	/nfs/dbraw/zinc/69/01/34/343690134.db2.gz	YNJAWGVGXCPJBV-MRVPVSSYSA-N	0	0	184.242	3.014	10	0		AGAERN
CC(C)[C@H]1C[C@H]1c1ccccc1	95923549	343690152	/nfs/dbraw/zinc/69/01/52/343690152.db2.gz	ACABZBGQXFLDAB-NEPJUHHUSA-N	0	0	160.260	3.446	10	0		AGAERN
Cc1cc(C)n2c1[nH]c1ccccc12	95923851	343690300	/nfs/dbraw/zinc/69/03/00/343690300.db2.gz	YNJAWGVGXCPJBV-QMMMGPOBSA-N	0	0	184.242	3.014	10	0		AGAERN
CC(C)[C@@H]1C[C@H]1c1ccccc1	95923548	343690303	/nfs/dbraw/zinc/69/03/03/343690303.db2.gz	ACABZBGQXFLDAB-RYUDHWBXSA-N	0	0	160.260	3.446	10	0		AGAERN
CCc1nc2c(ccc3ccccc32)[nH]1	95924236	343690562	/nfs/dbraw/zinc/69/05/62/343690562.db2.gz	BDLRDIZNCDRKEO-UHFFFAOYSA-N	0	0	196.253	3.279	10	0		AGAERN
CCc1cc(C)n2c1[nH]c1ccccc12	95924030	343690592	/nfs/dbraw/zinc/69/05/92/343690592.db2.gz	ZWNKNTXRVYZUCU-SNVBAGLBSA-N	0	0	198.269	3.404	10	0		AGAERN
CCn1cnc2c3ccccc3ccc21	95924282	343690672	/nfs/dbraw/zinc/69/06/72/343690672.db2.gz	ZBVFXGZAFSUXGI-UHFFFAOYSA-N	0	0	196.253	3.209	10	0		AGAERN
CCc1cc(C)n2c1[nH]c1ccccc12	95924031	343690674	/nfs/dbraw/zinc/69/06/74/343690674.db2.gz	ZWNKNTXRVYZUCU-JTQLQIEISA-N	0	0	198.269	3.404	10	0		AGAERN
CCCC[C@H](CC)[C@@H](O)CCC	95933119	343691044	/nfs/dbraw/zinc/69/10/44/343691044.db2.gz	UWOWBSBTVUWTFJ-QWRGUYRKSA-N	0	0	172.312	3.364	10	0		AGAERN
CCCC[C@@H](CC)[C@@H](O)CCC	95933118	343691040	/nfs/dbraw/zinc/69/10/40/343691040.db2.gz	UWOWBSBTVUWTFJ-MNOVXSKESA-N	0	0	172.312	3.364	10	0		AGAERN
CCc1ccccc1C(=O)C1CCC1	95933750	343691077	/nfs/dbraw/zinc/69/10/77/343691077.db2.gz	DCTMGTNXOICWDH-UHFFFAOYSA-N	0	0	188.270	3.232	10	0		AGAERN
Cc1cc(F)c(Cl)c(F)c1F	95934271	343691240	/nfs/dbraw/zinc/69/12/40/343691240.db2.gz	IGUMWDXKAUEIDE-UHFFFAOYSA-N	0	0	180.556	3.066	10	0		AGAERN
CCCC[C@H](CC)[C@H](O)CCC	95933117	343691270	/nfs/dbraw/zinc/69/12/70/343691270.db2.gz	UWOWBSBTVUWTFJ-WDEREUQCSA-N	0	0	172.312	3.364	10	0		AGAERN
CC1=C(C)C[C@H](c2ccccc2)OC1	95935500	343691685	/nfs/dbraw/zinc/69/16/85/343691685.db2.gz	AQKZFTYJLAMOSD-CYBMUJFWSA-N	0	0	188.270	3.484	10	0		AGAERN
CC1=C(C)C[C@@H](c2ccccc2)OC1	95935499	343691865	/nfs/dbraw/zinc/69/18/65/343691865.db2.gz	AQKZFTYJLAMOSD-ZDUSSCGKSA-N	0	0	188.270	3.484	10	0		AGAERN
C[C@H]1C2C[C@@H]3C[C@H](C2)CC1(C)C3	96031441	343693226	/nfs/dbraw/zinc/69/32/26/343693226.db2.gz	RTPQXHZLCUUIJP-VVZSVHDDSA-N	0	0	164.292	3.469	10	0		AGAERN
C[C@@H]1C2C[C@@H]3C[C@H](C2)CC1(C)C3	96031440	343693458	/nfs/dbraw/zinc/69/34/58/343693458.db2.gz	RTPQXHZLCUUIJP-QZWZXBRZSA-N	0	0	164.292	3.469	10	0		AGAERN
Cc1cc(F)cc(CC(F)(F)F)c1	96102652	343694960	/nfs/dbraw/zinc/69/49/60/343694960.db2.gz	ICUJOHGYDOUHMM-UHFFFAOYSA-N	0	0	192.155	3.239	10	0		AGAERN
Cc1cc(F)ccc1CC(F)(F)F	96102651	343695015	/nfs/dbraw/zinc/69/50/15/343695015.db2.gz	DJIMSYZQMIKIEU-UHFFFAOYSA-N	0	0	192.155	3.239	10	0		AGAERN
CC(F)(F)Sc1ccccc1	96308283	343695295	/nfs/dbraw/zinc/69/52/95/343695295.db2.gz	RUOSHLWHFHBUBX-UHFFFAOYSA-N	0	0	174.215	3.391	10	0		AGAERN
CC(C)c1ncc(C(C)C)c(Cl)n1	96311258	343695438	/nfs/dbraw/zinc/69/54/38/343695438.db2.gz	HCHJFXNWYDDNML-UHFFFAOYSA-N	0	0	198.697	3.377	10	0		AGAERN
Cc1c(Cl)cc(C)c2[nH]ccc12	96321121	343696296	/nfs/dbraw/zinc/69/62/96/343696296.db2.gz	VNRJYGVWCMDQPP-UHFFFAOYSA-N	0	0	179.650	3.438	10	0		AGAERN
Cc1c(F)cc(Cl)c2cc[nH]c12	96321275	343696422	/nfs/dbraw/zinc/69/64/22/343696422.db2.gz	OKKYUJDLPRFGBC-UHFFFAOYSA-N	0	0	183.613	3.269	10	0		AGAERN
Fc1ccc(Cl)c2scnc12	96321301	343696475	/nfs/dbraw/zinc/69/64/75/343696475.db2.gz	LJOZGKWHOKAMRU-UHFFFAOYSA-N	0	0	187.626	3.089	10	0		AGAERN
CC(C)CCCc1ccc(O)cc1O	96341958	343696671	/nfs/dbraw/zinc/69/66/71/343696671.db2.gz	YLNRSZMAMFXDQE-UHFFFAOYSA-N	0	0	194.274	3.077	10	0		AGAERN
Cl/C=C/C1CCCCC1	96332285	343696767	/nfs/dbraw/zinc/69/67/67/343696767.db2.gz	YVVZMSBDWZBPCS-VOTSOKGWSA-N	0	0	144.645	3.319	10	0		AGAERN
S=c1[nH]cc(Cl)c2ccccc12	96839056	343701179	/nfs/dbraw/zinc/70/11/79/343701179.db2.gz	KMNLIVBIHTXWJM-UHFFFAOYSA-N	0	0	195.674	3.177	10	0		AGAERN
Cc1ccc(O)c(-c2cccs2)c1	96868487	343701223	/nfs/dbraw/zinc/70/12/23/343701223.db2.gz	MUJCQAICMGTZRN-UHFFFAOYSA-N	0	0	190.267	3.429	10	0		AGAERN
Oc1ccc(F)cc1-c1cccs1	96868491	343701286	/nfs/dbraw/zinc/70/12/86/343701286.db2.gz	OXGHVXBBJKORSY-UHFFFAOYSA-N	0	0	194.230	3.260	10	0		AGAERN
C[C@@H]1CCc2ccccc2[C@@H]1C	98044037	343704700	/nfs/dbraw/zinc/70/47/00/343704700.db2.gz	NRUTYKMOTTYXTF-NXEZZACHSA-N	0	0	160.260	3.372	10	0		AGAERN
C[C@H]1CCc2ccccc2[C@@H]1C	98044038	343704851	/nfs/dbraw/zinc/70/48/51/343704851.db2.gz	NRUTYKMOTTYXTF-VHSXEESVSA-N	0	0	160.260	3.372	10	0		AGAERN
C[C@@H]1c2ccccc2CC[C@H]1C	98044039	343705054	/nfs/dbraw/zinc/70/50/54/343705054.db2.gz	NRUTYKMOTTYXTF-ZJUUUORDSA-N	0	0	160.260	3.372	10	0		AGAERN
C[C@H]1CCC[C@@H](C)[C@H]1C	100054289	343709945	/nfs/dbraw/zinc/70/99/45/343709945.db2.gz	DQTVJLHNWPRPPH-AYMMMOKOSA-N	0	0	126.243	3.079	10	0		AGAERN
CC1=CCCC(C)(C)/C1=C/C[C@H](C)O	100230350	343713246	/nfs/dbraw/zinc/71/32/46/343713246.db2.gz	BNZGHWQRSDLGKB-SERMCNLOSA-N	0	0	194.318	3.450	10	0	in-vitro	AGAERN
CC(C)C1CC[C@@H](C)CC1=O	100264963	343714268	/nfs/dbraw/zinc/71/42/68/343714268.db2.gz	LHMGSNZLLXEMFF-MRVPVSSYSA-N	0	0	154.253	3.275	10	0		AGAERN
CC(=O)Cc1nc2ccccc2s1	100298085	343715150	/nfs/dbraw/zinc/71/51/50/343715150.db2.gz	STFCVJDRPONJKE-SREVYHEPSA-N	0	0	191.255	3.215	10	0		AGAERN
CCCC[C@@H]1C[C@H]2C=C[C@@H]1C2	100324866	343715662	/nfs/dbraw/zinc/71/56/62/343715662.db2.gz	YSWATWCBYRBYBO-GMTAPVOTSA-N	0	0	150.265	3.389	10	0		AGAERN
FC(F)=C[C@@H]1C[C@@H]2CC[C@H]1C2	100363352	343715936	/nfs/dbraw/zinc/71/59/36/343715936.db2.gz	KLUUNJKFMSNFBP-CSMHCCOUSA-N	0	0	158.191	3.203	10	0		AGAERN
O=CC1c2ccccc2-c2ncccc21	100398637	343716149	/nfs/dbraw/zinc/71/61/49/343716149.db2.gz	WDXXLKCGBXTYLV-WQLSENKSSA-N	0	0	195.221	3.009	10	0		AGAERN
FC(F)(F)/C=C\Cc1ccccc1	100983057	343721583	/nfs/dbraw/zinc/72/15/83/343721583.db2.gz	LWJYSDNRZIRAMP-YWEYNIOJSA-N	0	0	186.176	3.348	10	0		AGAERN
C/C=C\C(=O)c1ccc(Cl)cc1	101152627	343722742	/nfs/dbraw/zinc/72/27/42/343722742.db2.gz	KVSNHUCXGNKEKD-IHWYPQMZSA-N	0	0	180.634	3.099	10	0		AGAERN
CCC1=Cc2ccc(OC)cc2CC1	101728809	343724938	/nfs/dbraw/zinc/72/49/38/343724938.db2.gz	KLSROEPHYDAYLY-UHFFFAOYSA-N	0	0	188.270	3.435	10	0		AGAERN
CC1(C)[C@H]2CC[C@@H]1[C@@H]1CCC[C@@H]21	104374127	343730913	/nfs/dbraw/zinc/73/09/13/343730913.db2.gz	BENGNUHXFJSANJ-DBIOUOCHSA-N	0	0	164.292	3.469	10	0		AGAERN
CC1=CCCCC1(C)C	104371223	343730925	/nfs/dbraw/zinc/73/09/25/343730925.db2.gz	UBMLKGCOROJNMF-UHFFFAOYSA-N	0	0	124.227	3.143	10	0		AGAERN
CC1(C)[C@H]2CC[C@@H]1[C@H]1CCC[C@H]12	104374121	343730972	/nfs/dbraw/zinc/73/09/72/343730972.db2.gz	BENGNUHXFJSANJ-CKIJPRSSSA-N	0	0	164.292	3.469	10	0		AGAERN
CC1(C)[C@H]2CC[C@@H]1[C@@H]1CCC[C@H]21	104374123	343731141	/nfs/dbraw/zinc/73/11/41/343731141.db2.gz	BENGNUHXFJSANJ-DTIDVZRVSA-N	0	0	164.292	3.469	10	0		AGAERN
CCCCC(C)(C)Br	104530714	343732677	/nfs/dbraw/zinc/73/26/77/343732677.db2.gz	FVGJIAVGOPDNHY-UHFFFAOYSA-N	0	0	179.101	3.350	10	0		AGAERN
CCc1c(C)cc(C)cc1C	111341205	343754177	/nfs/dbraw/zinc/75/41/77/343754177.db2.gz	HYCOYJYBHKAKGQ-UHFFFAOYSA-N	0	0	148.249	3.174	10	0		AGAERN
Cc1cccc2c1NC(C)(C)CC2	104682382	343734675	/nfs/dbraw/zinc/73/46/75/343734675.db2.gz	IQMLPDPVWXJNBD-UHFFFAOYSA-N	0	0	175.275	3.132	10	0		AGAERN
CC(C)=CNc1ccccc1	104608658	343734206	/nfs/dbraw/zinc/73/42/06/343734206.db2.gz	FZLICRHWFWUKTM-UHFFFAOYSA-N	0	0	147.221	3.022	10	0		AGAERN
CC[C@H]1CC[C@H](CC)S1	104679104	343734708	/nfs/dbraw/zinc/73/47/08/343734708.db2.gz	XQKZIDUXMNZJJF-YUMQZZPRSA-N	0	0	144.283	3.071	10	0		AGAERN
C1=C\CCCC/C=C\C/1	111457641	343754641	/nfs/dbraw/zinc/75/46/41/343754641.db2.gz	HNXYQJYBEOPJOC-PQZOIKATSA-N	0	0	122.211	3.063	10	0		AGAERN
CC(=O)O[C@@H]1C[C@@H](C(C)C)CC[C@@H]1C	105438368	343736477	/nfs/dbraw/zinc/73/64/77/343736477.db2.gz	JAKFDYGDDRCJLY-ZMLRMANQSA-N	0	0	198.306	3.010	10	0		AGAERN
Br/C=C\C1CCCCC1	105244979	343736527	/nfs/dbraw/zinc/73/65/27/343736527.db2.gz	BMFWWXHEKBIRMY-SREVYHEPSA-N	0	0	189.096	3.475	10	0		AGAERN
BrC=C=C1CCCCC1	105288598	343736535	/nfs/dbraw/zinc/73/65/35/343736535.db2.gz	NTTHLVLRYVCQJN-UHFFFAOYSA-N	0	0	187.080	3.384	10	0		AGAERN
Cc1cccc(C)c1OCC(C)C	106101696	343737512	/nfs/dbraw/zinc/73/75/12/343737512.db2.gz	CYJZQJZMOVMEIF-UHFFFAOYSA-N	0	0	178.275	3.338	10	0		AGAERN
O=Cc1ccc(C2CCCCC2)o1	107126235	343742445	/nfs/dbraw/zinc/74/24/45/343742445.db2.gz	QONPIBYWWMKOSY-UHFFFAOYSA-N	0	0	178.231	3.140	10	0		AGAERN
Cc1ccc(-c2ccoc2C=O)cc1	107131625	343743145	/nfs/dbraw/zinc/74/31/45/343743145.db2.gz	DYHMQGGUZKKIFB-UHFFFAOYSA-N	0	0	186.210	3.068	10	0		AGAERN
Cc1cc2c(cc1C)SCCCN2	107137085	343743735	/nfs/dbraw/zinc/74/37/35/343743735.db2.gz	MEWVYIZKEHCRDZ-UHFFFAOYSA-N	0	0	193.315	3.211	10	0		AGAERN
Clc1cccc2c1NCCCS2	107142903	343744439	/nfs/dbraw/zinc/74/44/39/343744439.db2.gz	FVGOUBOZZVYVBE-UHFFFAOYSA-N	0	0	199.706	3.248	10	0		AGAERN
Clc1cccc2c1SCCCN2	107142907	343744619	/nfs/dbraw/zinc/74/46/19/343744619.db2.gz	RDNFXHCHLZVUIC-UHFFFAOYSA-N	0	0	199.706	3.248	10	0		AGAERN
CC(C)c1ccc(C=O)cc1Cl	107171062	343746498	/nfs/dbraw/zinc/74/64/98/343746498.db2.gz	SPLVTKZORDUZBY-UHFFFAOYSA-N	0	0	182.650	3.276	10	0		AGAERN
CC(C)[C@@H]1C=C[C@@H](C)CC1	108834238	343752818	/nfs/dbraw/zinc/75/28/18/343752818.db2.gz	WHNGPXQYYRWQAS-NXEZZACHSA-N	0	0	138.254	3.245	10	0		AGAERN
CC(C)[C@@H]1C=C[C@H](C)CC1	108834235	343752929	/nfs/dbraw/zinc/75/29/29/343752929.db2.gz	WHNGPXQYYRWQAS-VHSXEESVSA-N	0	0	138.254	3.245	10	0		AGAERN
C/C=C\C(=O)c1ccccc1Cl	109838039	343753174	/nfs/dbraw/zinc/75/31/74/343753174.db2.gz	XVMUQQBAWJNLEV-DJWKRKHSSA-N	0	0	180.634	3.099	10	0		AGAERN
C/C(Cl)=C/c1ccccc1	109050271	343753267	/nfs/dbraw/zinc/75/32/67/343753267.db2.gz	VCWDAHMQCOZVQD-FPLPWBNLSA-N	0	0	152.624	3.286	10	0		AGAERN
CCC[C@H]1C=CCCC1	111341215	343754295	/nfs/dbraw/zinc/75/42/95/343754295.db2.gz	XWIMYKYUBWUJOH-VIFPVBQESA-N	0	0	124.227	3.143	10	0		AGAERN
CC1(c2ccc(Cl)cc2)CC1	111347114	343754307	/nfs/dbraw/zinc/75/43/07/343754307.db2.gz	HPHQIPGQYVHUHM-UHFFFAOYSA-N	0	0	166.651	3.392	10	0		AGAERN
CCC1=CCCC[C@@H]1C	111484480	343754662	/nfs/dbraw/zinc/75/46/62/343754662.db2.gz	SZQINPXTYBNYCZ-QMMMGPOBSA-N	0	0	124.227	3.143	10	0		AGAERN
CC1=CCc2cc(Cl)ccc21	112970753	343755783	/nfs/dbraw/zinc/75/57/83/343755783.db2.gz	DMGHBOSRQDCAAE-UHFFFAOYSA-N	0	0	164.635	3.299	10	0		AGAERN
ON(c1ccccc1)c1ccccc1	112998271	343756449	/nfs/dbraw/zinc/75/64/49/343756449.db2.gz	HJEOCXJECFXMAT-UHFFFAOYSA-N	0	0	184.218	3.170	10	0		AGAERN
C=COCC1(COC=C)CCCCC1	113061974	343756614	/nfs/dbraw/zinc/75/66/14/343756614.db2.gz	HIYIGPVBMDKPCR-UHFFFAOYSA-N	0	0	196.290	3.257	10	0		AGAERN
CCc1c(F)ccc(F)c1Cl	113101718	343756635	/nfs/dbraw/zinc/75/66/35/343756635.db2.gz	GOKOJAKDXXDKFL-UHFFFAOYSA-N	0	0	176.593	3.181	10	0		AGAERN
C[C@H](CCO)CCC1CCCCC1	113148809	343756997	/nfs/dbraw/zinc/75/69/97/343756997.db2.gz	WDUYXULLEPILOT-NSHDSACASA-N	0	0	184.323	3.365	10	0		AGAERN
C=CC(C=C)=Cc1ccccc1	113158478	343757076	/nfs/dbraw/zinc/75/70/76/343757076.db2.gz	QSOMQGJOPSLUAZ-UHFFFAOYSA-N	0	0	156.228	3.442	10	0		AGAERN
CC/C=C\Cc1ccccc1	113140226	343757117	/nfs/dbraw/zinc/75/71/17/343757117.db2.gz	OLYAJUIZHQSQRP-HYXAFXHYSA-N	0	0	146.233	3.195	10	0		AGAERN
CSc1c(C)[nH]c2c(F)cccc12	113160301	343757284	/nfs/dbraw/zinc/75/72/84/343757284.db2.gz	REQKOQAFWPZKMC-UHFFFAOYSA-N	0	0	195.262	3.337	10	0		AGAERN
FC(F)(F)/C=C\c1ccccc1	113153163	343757289	/nfs/dbraw/zinc/75/72/89/343757289.db2.gz	HKADMMFLLPJEAG-SREVYHEPSA-N	0	0	172.149	3.262	10	0		AGAERN
CCCC(C)(C)c1ccc(O)cc1	113297069	343758250	/nfs/dbraw/zinc/75/82/50/343758250.db2.gz	OPMIBQSFIUJNAT-UHFFFAOYSA-N	0	0	178.275	3.470	10	0		AGAERN
ClC1=CCCC=CCC1	113275585	343758305	/nfs/dbraw/zinc/75/83/05/343758305.db2.gz	PHQVPLFRGMMSCP-UHFFFAOYSA-N	0	0	142.629	3.239	10	0		AGAERN
CCC(CC)OC(CC)CC	113382487	343758852	/nfs/dbraw/zinc/75/88/52/343758852.db2.gz	QPLGKBMWKLWTHG-UHFFFAOYSA-N	0	0	158.285	3.380	10	0		AGAERN
Cc1cc(C2CC2)cc(Cl)c1N	113388967	343758917	/nfs/dbraw/zinc/75/89/17/343758917.db2.gz	MZYAAYQCGKEZOF-UHFFFAOYSA-N	0	0	181.666	3.108	10	0		AGAERN
CCc1ccc(-c2ccccn2)s1	113438526	343758959	/nfs/dbraw/zinc/75/89/59/343758959.db2.gz	BRPKHNWTRJUJQE-UHFFFAOYSA-N	0	0	189.283	3.373	10	0		AGAERN
C/C=C\C(C)=C\C=C(C)C	113532462	343759132	/nfs/dbraw/zinc/75/91/32/343759132.db2.gz	VMJZCRLJWCETEG-UGXDAERVSA-N	0	0	136.238	3.475	10	0		AGAERN
CC1(C)CCC[C@@H]2C[C@@](C)(O)CC[C@H]21	113511224	343759222	/nfs/dbraw/zinc/75/92/22/343759222.db2.gz	ZQNQUNNLSOTEJY-WZRBSPASSA-N	0	0	196.334	3.364	10	0		AGAERN
O=Cc1c(Cl)cccc1C1CC1	113562753	343759250	/nfs/dbraw/zinc/75/92/50/343759250.db2.gz	CBFLDXRLOCGRDW-UHFFFAOYSA-N	0	0	180.634	3.030	10	0		AGAERN
C1=CCc2cc3ccccc3cc2C1	113537840	343759302	/nfs/dbraw/zinc/75/93/02/343759302.db2.gz	FTDLXZYXJAJLIP-UHFFFAOYSA-N	0	0	180.250	3.495	10	0		AGAERN
CC1(C)CCC[C@H]2C[C@@](C)(O)CC[C@H]21	113511226	343759414	/nfs/dbraw/zinc/75/94/14/343759414.db2.gz	ZQNQUNNLSOTEJY-LOWVWBTDSA-N	0	0	196.334	3.364	10	0		AGAERN
C/C=C/c1ccc(Cl)cc1	113823379	343760307	/nfs/dbraw/zinc/76/03/07/343760307.db2.gz	HAZZRKZNTNNBJW-NSCUHMNNSA-N	0	0	152.624	3.373	10	0		AGAERN
CCCCSc1nc(C)cs1	113802689	343760369	/nfs/dbraw/zinc/76/03/69/343760369.db2.gz	CEVFPTNWQRBBMT-UHFFFAOYSA-N	0	0	187.333	3.344	10	0		AGAERN
CCCCSCc1ccccn1	113800260	343760441	/nfs/dbraw/zinc/76/04/41/343760441.db2.gz	SOGFNDRKBBIAOB-UHFFFAOYSA-N	0	0	181.304	3.115	10	0		AGAERN
CSCc1ccccc1SC	113999856	343760728	/nfs/dbraw/zinc/76/07/28/343760728.db2.gz	DEWGSTJAYSEQMC-UHFFFAOYSA-N	0	0	184.329	3.272	10	0		AGAERN
c1ccc2c(c1)COc1ccccc1C2	113942553	343760761	/nfs/dbraw/zinc/76/07/61/343760761.db2.gz	FPIWJQQRYHEICX-UHFFFAOYSA-N	0	0	196.249	3.170	10	0		AGAERN
FC(F)(F)[C@@H]1CCc2ccccc21	114060150	343761390	/nfs/dbraw/zinc/76/13/90/343761390.db2.gz	HLLRNLNXSJRSRZ-SECBINFHSA-N	0	0	186.176	3.279	10	0		AGAERN
CCc1ccccc1N(CC)CC	113884500	343760996	/nfs/dbraw/zinc/76/09/96/343760996.db2.gz	IXCKOXLJNNFOCM-UHFFFAOYSA-N	0	0	177.291	3.095	10	0		AGAERN
c1ccc(C2(C3CC3)CC2)cc1	113969027	343761067	/nfs/dbraw/zinc/76/10/67/343761067.db2.gz	DFIIKXSSZVLGCM-UHFFFAOYSA-N	0	0	158.244	3.128	10	0		AGAERN
FC(F)(F)[C@H]1CCc2ccccc21	114060151	343761402	/nfs/dbraw/zinc/76/14/02/343761402.db2.gz	HLLRNLNXSJRSRZ-VIFPVBQESA-N	0	0	186.176	3.279	10	0		AGAERN
CC[C@H]1C=Cc2cc(OC)ccc2C1	114267821	343761874	/nfs/dbraw/zinc/76/18/74/343761874.db2.gz	IMSXIYYJKBXISD-JTQLQIEISA-N	0	0	188.270	3.291	10	0		AGAERN
CC(C)[C@@H]1CCc2cc(O)ccc2C1	114272606	343761923	/nfs/dbraw/zinc/76/19/23/343761923.db2.gz	ZWMOPOHFPGFAAK-SNVBAGLBSA-N	0	0	190.286	3.153	10	0		AGAERN
C/C=C1\CCc2ccccc21	114284146	343762042	/nfs/dbraw/zinc/76/20/42/343762042.db2.gz	QGSJWCSXPZNDGU-XNWCZRBMSA-N	0	0	144.217	3.036	10	0		AGAERN
CC(C)[C@H]1CCc2cc(O)ccc2C1	114272608	343762052	/nfs/dbraw/zinc/76/20/52/343762052.db2.gz	ZWMOPOHFPGFAAK-JTQLQIEISA-N	0	0	190.286	3.153	10	0		AGAERN
CC[C@H]1CCc2cc(OC)ccc2C1	114267492	343762284	/nfs/dbraw/zinc/76/22/84/343762284.db2.gz	KUPWRRLLYAVYFS-JTQLQIEISA-N	0	0	190.286	3.210	10	0		AGAERN
C=Cc1ccc(/C=C/C)cc1	114334698	343762478	/nfs/dbraw/zinc/76/24/78/343762478.db2.gz	ZWJSIJHFNAFJRH-HWKANZROSA-N	0	0	144.217	3.363	10	0		AGAERN
C=C(c1cc(C)cc(C)c1)c1ncc[nH]1	114416728	343762494	/nfs/dbraw/zinc/76/24/94/343762494.db2.gz	VZJIZCXTYFNWRR-UHFFFAOYSA-N	0	0	198.269	3.088	10	0		AGAERN
C=C(c1ncc[nH]1)c1cccc(C)c1C	114418972	343762569	/nfs/dbraw/zinc/76/25/69/343762569.db2.gz	MSZJWNFQOOILPU-UHFFFAOYSA-N	0	0	198.269	3.088	10	0		AGAERN
C=C(c1ncc[nH]1)c1cc(C)ccc1C	114419314	343762639	/nfs/dbraw/zinc/76/26/39/343762639.db2.gz	YUHKZZQOOMRZMH-UHFFFAOYSA-N	0	0	198.269	3.088	10	0		AGAERN
C=C(c1ncc[nH]1)c1c(C)cccc1C	114420625	343762790	/nfs/dbraw/zinc/76/27/90/343762790.db2.gz	JFEKBDHGBISYHA-UHFFFAOYSA-N	0	0	198.269	3.088	10	0		AGAERN
COc1ccc(C(C)(C)C)c(OC)c1	114616361	343763342	/nfs/dbraw/zinc/76/33/42/343763342.db2.gz	COMHBWJNHSVSKE-UHFFFAOYSA-N	0	0	194.274	3.001	10	0		AGAERN
Cc1ccc(Cc2ccccc2)c(N)c1	114636706	343763753	/nfs/dbraw/zinc/76/37/53/343763753.db2.gz	HLLZBIYSZSRAKG-UHFFFAOYSA-N	0	0	197.281	3.168	10	0		AGAERN
Cn1c2ccsc2c2sccc21	114696900	343764159	/nfs/dbraw/zinc/76/41/59/343764159.db2.gz	ZJPSAHGNIIRQTE-UHFFFAOYSA-N	0	0	193.296	3.455	10	0		AGAERN
CC(C)[C@@H](C)Oc1ccccc1	114886026	343764715	/nfs/dbraw/zinc/76/47/15/343764715.db2.gz	NSSBMHJAFSJCBM-SNVBAGLBSA-N	0	0	164.248	3.110	10	0		AGAERN
CCCCc1cccc(CC)c1C=O	114908715	343764831	/nfs/dbraw/zinc/76/48/31/343764831.db2.gz	SVQWTNKGJLKWOG-UHFFFAOYSA-N	0	0	190.286	3.404	10	0		AGAERN
CCCCCC[C@H](C)c1ncc[nH]1	114817531	343764930	/nfs/dbraw/zinc/76/49/30/343764930.db2.gz	ODOSQXOUIFNRGF-JTQLQIEISA-N	0	0	180.295	3.484	10	0		AGAERN
CCc1cccc(CC(C)C)c1C=O	114910031	343764946	/nfs/dbraw/zinc/76/49/46/343764946.db2.gz	MTYJZGGOYLIYLL-UHFFFAOYSA-N	0	0	190.286	3.260	10	0		AGAERN
O=Cc1c(C2CC2)cccc1C1CC1	114912562	343764968	/nfs/dbraw/zinc/76/49/68/343764968.db2.gz	HWYOQLWMUUEWNA-UHFFFAOYSA-N	0	0	186.254	3.254	10	0		AGAERN
CC(C)[C@H](C)Oc1ccccc1	114886028	343765051	/nfs/dbraw/zinc/76/50/51/343765051.db2.gz	NSSBMHJAFSJCBM-JTQLQIEISA-N	0	0	164.248	3.110	10	0		AGAERN
CCCCCC[C@@H](C)c1ncc[nH]1	114817528	343765062	/nfs/dbraw/zinc/76/50/62/343765062.db2.gz	ODOSQXOUIFNRGF-SNVBAGLBSA-N	0	0	180.295	3.484	10	0		AGAERN
CC1=Nc2cc(F)cc(F)c2C1(C)C	114998244	343765552	/nfs/dbraw/zinc/76/55/52/343765552.db2.gz	LWDDHYAWPUFCFB-UHFFFAOYSA-N	0	0	195.212	3.348	10	0		AGAERN
CCCCC[C@@H]1CC(C)=CCO1	115277343	343766201	/nfs/dbraw/zinc/76/62/01/343766201.db2.gz	VOGOLJPJZFCODS-LLVKDONJSA-N	0	0	168.280	3.302	10	0		AGAERN
C1=CCC(C2CCCCC2)=C1	115123500	343766204	/nfs/dbraw/zinc/76/62/04/343766204.db2.gz	AQHXALDLCNTRII-UHFFFAOYSA-N	0	0	148.249	3.453	10	0		AGAERN
CSCCCCc1ccccc1	115334025	343766467	/nfs/dbraw/zinc/76/64/67/343766467.db2.gz	BOWRUZNKAKDPTJ-UHFFFAOYSA-N	0	0	180.316	3.372	10	0		AGAERN
c1ccc(-n2ccc3cccnc32)cc1	115343104	343766477	/nfs/dbraw/zinc/76/64/77/343766477.db2.gz	KOPKHVLKISQYAI-UHFFFAOYSA-N	0	0	194.237	3.026	10	0		AGAERN
C=C/C=C(/C)c1ccccc1	115314573	343766506	/nfs/dbraw/zinc/76/65/06/343766506.db2.gz	HETLRQLNJZNYFU-YFHOEESVSA-N	0	0	144.217	3.276	10	0		AGAERN
CSCc1ccc(C)cc1C	115334495	343766577	/nfs/dbraw/zinc/76/65/77/343766577.db2.gz	BYHINWDKABRGAF-UHFFFAOYSA-N	0	0	166.289	3.166	10	0		AGAERN
c1ccc(-n2ccc3ncccc32)cc1	115342376	343766672	/nfs/dbraw/zinc/76/66/72/343766672.db2.gz	LGLLMLAQDNOQIQ-UHFFFAOYSA-N	0	0	194.237	3.026	10	0		AGAERN
Cc1csc(-c2sccc2C)n1	115419314	343766744	/nfs/dbraw/zinc/76/67/44/343766744.db2.gz	GTDNAQAYTDOCFP-UHFFFAOYSA-N	0	0	195.312	3.488	10	0		AGAERN
C/C=C/Cc1ccccc1C	115725926	343767232	/nfs/dbraw/zinc/76/72/32/343767232.db2.gz	PWCCCKCWHBGNOZ-ONEGZZNKSA-N	0	0	146.233	3.114	10	0		AGAERN
Cc1ccc(/C=C\Cl)cc1	115636342	343767238	/nfs/dbraw/zinc/76/72/38/343767238.db2.gz	ZCXDCALOBVHDDF-SREVYHEPSA-N	0	0	152.624	3.205	10	0		AGAERN
CCCCC/C=C/C/C=C\CCO	115794953	343767906	/nfs/dbraw/zinc/76/79/06/343767906.db2.gz	WVTVMLXNKUWGBH-KQHSAVHASA-N	0	0	182.307	3.452	10	0		AGAERN
CCCCC/C=C\C/C=C/CCO	115794957	343767919	/nfs/dbraw/zinc/76/79/19/343767919.db2.gz	WVTVMLXNKUWGBH-IXWMQOLASA-N	0	0	182.307	3.452	10	0		AGAERN
C/C=C\c1ccc(Cl)cc1	116140093	343768432	/nfs/dbraw/zinc/76/84/32/343768432.db2.gz	HAZZRKZNTNNBJW-IHWYPQMZSA-N	0	0	152.624	3.373	10	0		AGAERN
CC(C)C[C@H]1CCc2cccnc21	116880039	343771613	/nfs/dbraw/zinc/77/16/13/343771613.db2.gz	YQCSIGPSUBAODK-LLVKDONJSA-N	0	0	175.275	3.158	10	0		AGAERN
C(=C\C1CC1)\c1ccccc1	116658115	343770008	/nfs/dbraw/zinc/77/00/08/343770008.db2.gz	GUYVLQKVANFBQJ-SREVYHEPSA-N	0	0	144.217	3.110	10	0		AGAERN
CC(C)c1cc(=O)[nH]c2ccccc12	116568035	343770328	/nfs/dbraw/zinc/77/03/28/343770328.db2.gz	SNSCXWREOANVGM-UHFFFAOYSA-N	0	0	187.242	3.064	10	0		AGAERN
C(=C/C1CC1)\c1ccccc1	116658118	343770354	/nfs/dbraw/zinc/77/03/54/343770354.db2.gz	GUYVLQKVANFBQJ-VOTSOKGWSA-N	0	0	144.217	3.110	10	0		AGAERN
CC(C)C[C@@H]1CCc2cccnc21	116880037	343771351	/nfs/dbraw/zinc/77/13/51/343771351.db2.gz	YQCSIGPSUBAODK-NSHDSACASA-N	0	0	175.275	3.158	10	0		AGAERN
CS[C@H]1CCc2ccccc21	116894648	343771456	/nfs/dbraw/zinc/77/14/56/343771456.db2.gz	QXDSIQAGCZFAGS-JTQLQIEISA-N	0	0	164.273	3.037	10	0		AGAERN
CS[C@@H]1CCc2ccccc21	116894646	343771596	/nfs/dbraw/zinc/77/15/96/343771596.db2.gz	QXDSIQAGCZFAGS-SNVBAGLBSA-N	0	0	164.273	3.037	10	0		AGAERN
CCCSCC(C)(C)C	116893391	343771602	/nfs/dbraw/zinc/77/16/02/343771602.db2.gz	CZFXXVKFAABQJB-UHFFFAOYSA-N	0	0	146.299	3.176	10	0		AGAERN
CCC/C(C)=C/CCC(C)=O	117102351	343772391	/nfs/dbraw/zinc/77/23/91/343772391.db2.gz	KSJHIVXGLQFMNU-VQHVLOKHSA-N	0	0	154.253	3.102	10	0		AGAERN
CC1=C[C@H](C)C2=C1CCCC2	117539898	343772624	/nfs/dbraw/zinc/77/26/24/343772624.db2.gz	QGRQRABXIIBLFO-QMMMGPOBSA-N	0	0	148.249	3.453	10	0		AGAERN
C1=Cc2cccnc2Cc2ccccc21	117632578	343773410	/nfs/dbraw/zinc/77/34/10/343773410.db2.gz	VVJQGUSMDLABEG-UHFFFAOYSA-N	0	0	193.249	3.156	10	0		AGAERN
Oc1cccc2[nH]c(C3=CCCC3)cc12	117994839	343774066	/nfs/dbraw/zinc/77/40/66/343774066.db2.gz	XPPZTCBZYYPEHA-UHFFFAOYSA-N	0	0	199.253	3.441	10	0		AGAERN
CCC(=O)c1ccc2occc2c1	118447739	343775529	/nfs/dbraw/zinc/77/55/29/343775529.db2.gz	IUCHNPMSYRHLJT-UHFFFAOYSA-N	0	0	174.199	3.026	10	0		AGAERN
Cc1ccc(-c2ccsc2N)cc1	118374255	343775694	/nfs/dbraw/zinc/77/56/94/343775694.db2.gz	JTXVSQZBGYBTRJ-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
Cc1ncc(-c2cccc(F)c2)s1	118818373	343776558	/nfs/dbraw/zinc/77/65/58/343776558.db2.gz	JOHPXSANGUKZLF-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
CCCc1cc(-c2ccccc2)n[nH]1	118757011	343776573	/nfs/dbraw/zinc/77/65/73/343776573.db2.gz	MDMHACNYJHVIGD-UHFFFAOYSA-N	0	0	186.258	3.029	10	0		AGAERN
Cc1ncc(-c2ccc(F)cc2)s1	118826700	343776706	/nfs/dbraw/zinc/77/67/06/343776706.db2.gz	RKBIRRQDMPLAMO-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
CCCC[C@H](O)CCCC(F)(F)F	123809579	343784309	/nfs/dbraw/zinc/78/43/09/343784309.db2.gz	UMUZJYZWXQTXEB-QMMMGPOBSA-N	0	0	198.228	3.270	10	0		AGAERN
CCCC[C@@H](O)CCCC(F)(F)F	123809767	343784571	/nfs/dbraw/zinc/78/45/71/343784571.db2.gz	UMUZJYZWXQTXEB-MRVPVSSYSA-N	0	0	198.228	3.270	10	0		AGAERN
Cc1cscc1NCc1ccco1	125459515	343790893	/nfs/dbraw/zinc/79/08/93/343790893.db2.gz	DAEQGQHGCJMIQO-UHFFFAOYSA-N	0	0	193.271	3.262	10	0		AGAERN
Cc1nc(Cl)cc(C2CCCC2)n1	125429020	343790938	/nfs/dbraw/zinc/79/09/38/343790938.db2.gz	BGAUUENBCDIMBL-UHFFFAOYSA-N	0	0	196.681	3.096	10	0		AGAERN
Cc1oc(C)c([C@H]([NH3+])C(C)(C)C)c1C	126963656	343801305	/nfs/dbraw/zinc/80/13/05/343801305.db2.gz	UGHZOGCHRCXWEF-NSHDSACASA-N	0	0	195.306	3.251	10	0		AGAERN
Cc1oc(C)c([C@@H]([NH3+])C(C)(C)C)c1C	126963874	343801656	/nfs/dbraw/zinc/80/16/56/343801656.db2.gz	UGHZOGCHRCXWEF-LLVKDONJSA-N	0	0	195.306	3.251	10	0		AGAERN
CCC(CC)Nc1ccc(N)c(F)c1	127086948	343804406	/nfs/dbraw/zinc/80/44/06/343804406.db2.gz	XGPVDBMELIGZJA-UHFFFAOYSA-N	0	0	196.269	3.008	10	0		AGAERN
CCCCc1nc2c([nH]1)[C@H](C)CCC2	127462485	343811456	/nfs/dbraw/zinc/81/14/56/343811456.db2.gz	KJYICVKIMGAVOB-SECBINFHSA-N	0	0	192.306	3.192	10	0		AGAERN
CC(C)[C@@H](C)c1nc2c([nH]1)CCCC2	127457240	343811893	/nfs/dbraw/zinc/81/18/93/343811893.db2.gz	SCDJSABKCRWKQW-SECBINFHSA-N	0	0	192.306	3.048	10	0		AGAERN
CC(C)Cc1nc2c([nH]1)[C@H](C)CCC2	127463415	343811897	/nfs/dbraw/zinc/81/18/97/343811897.db2.gz	VTMXHHWNJYEYBP-SECBINFHSA-N	0	0	192.306	3.048	10	0		AGAERN
CCCCc1nc2c([nH]1)[C@@H](C)CCC2	127462718	343811901	/nfs/dbraw/zinc/81/19/01/343811901.db2.gz	KJYICVKIMGAVOB-VIFPVBQESA-N	0	0	192.306	3.192	10	0		AGAERN
CC[C@@H](C)c1nc2c([nH]1)[C@@H](C)CCC2	127486648	343812210	/nfs/dbraw/zinc/81/22/10/343812210.db2.gz	QGCFXUYNWWFWPA-BDAKNGLRSA-N	0	0	192.306	3.363	10	0		AGAERN
CC[C@H](C)c1nc2c([nH]1)[C@H](C)CCC2	127486416	343812317	/nfs/dbraw/zinc/81/23/17/343812317.db2.gz	QGCFXUYNWWFWPA-DTWKUNHWSA-N	0	0	192.306	3.363	10	0		AGAERN
C[C@H]1CCCc2nc(C(C)(C)C)[nH]c21	127472505	343812374	/nfs/dbraw/zinc/81/23/74/343812374.db2.gz	MSGKBOJNNSNMJB-QMMMGPOBSA-N	0	0	192.306	3.147	10	0		AGAERN
CC[C@H](C)c1nc2c([nH]1)[C@@H](C)CCC2	127486870	343812569	/nfs/dbraw/zinc/81/25/69/343812569.db2.gz	QGCFXUYNWWFWPA-IUCAKERBSA-N	0	0	192.306	3.363	10	0		AGAERN
C[C@@H]1CCCc2nc(C(C)(C)C)[nH]c21	127472270	343812753	/nfs/dbraw/zinc/81/27/53/343812753.db2.gz	MSGKBOJNNSNMJB-MRVPVSSYSA-N	0	0	192.306	3.147	10	0		AGAERN
CC[C@@H](C)c1nc2c([nH]1)CC[C@@H](C)C2	127541416	343813007	/nfs/dbraw/zinc/81/30/07/343813007.db2.gz	WCGHHLOFRAPRTC-RKDXNWHRSA-N	0	0	192.306	3.048	10	0		AGAERN
CCn1nc(C2CCCC2)cc1Cl	127547733	343813127	/nfs/dbraw/zinc/81/31/27/343813127.db2.gz	GJZBAIORULWIAI-UHFFFAOYSA-N	0	0	198.697	3.214	10	0		AGAERN
CC[C@H](C)c1nc2c([nH]1)CC[C@H](C)C2	127542111	343813391	/nfs/dbraw/zinc/81/33/91/343813391.db2.gz	WCGHHLOFRAPRTC-IUCAKERBSA-N	0	0	192.306	3.048	10	0		AGAERN
CC[C@@H](C)c1nc2c([nH]1)CC[C@H](C)C2	127541855	343813482	/nfs/dbraw/zinc/81/34/82/343813482.db2.gz	WCGHHLOFRAPRTC-DTWKUNHWSA-N	0	0	192.306	3.048	10	0		AGAERN
CC[C@H](C)c1nc2c([nH]1)CC[C@@H](C)C2	127541636	343813513	/nfs/dbraw/zinc/81/35/13/343813513.db2.gz	WCGHHLOFRAPRTC-BDAKNGLRSA-N	0	0	192.306	3.048	10	0		AGAERN
Cc1cscc1-c1nccs1	127683878	343817144	/nfs/dbraw/zinc/81/71/44/343817144.db2.gz	DCWFCMDPFWRWQM-UHFFFAOYSA-N	0	0	181.285	3.180	10	0		AGAERN
Cc1sc2nc(C(C)C)cn2c1C	127729177	343817900	/nfs/dbraw/zinc/81/79/00/343817900.db2.gz	AAEGASSHTXGIHJ-UHFFFAOYSA-N	0	0	194.303	3.136	10	0		AGAERN
Cc1cscc1NCC(C)C	127772497	343819148	/nfs/dbraw/zinc/81/91/48/343819148.db2.gz	BTGZVLOMGYVSSO-UHFFFAOYSA-N	0	0	169.293	3.124	10	0		AGAERN
CC[C@H](O)CC1CCCCCC1	128288086	343828184	/nfs/dbraw/zinc/82/81/84/343828184.db2.gz	VAYCQHNZVVRUCM-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
O=C1CCC[C@@H]1C1CCCCCC1	128432323	343831119	/nfs/dbraw/zinc/83/11/19/343831119.db2.gz	ILPYZHYDLKILJH-LLVKDONJSA-N	0	0	180.291	3.326	10	0		AGAERN
O=C1CCC[C@H]1C1CCCCCC1	128432083	343831538	/nfs/dbraw/zinc/83/15/38/343831538.db2.gz	ILPYZHYDLKILJH-NSHDSACASA-N	0	0	180.291	3.326	10	0		AGAERN
CC1CCC(c2nccs2)CC1	128494146	343832590	/nfs/dbraw/zinc/83/25/90/343832590.db2.gz	QKVYYUTWBKDGFS-UHFFFAOYSA-N	0	0	181.304	3.437	10	0		AGAERN
c1csc([C@@H]2CCCCS2)n1	128499591	343832878	/nfs/dbraw/zinc/83/28/78/343832878.db2.gz	PPXHREZOILOWRR-ZETCQYMHSA-N	0	0	185.317	3.101	10	0		AGAERN
Nc1ncccc1C1CCCCCC1	128565661	343834243	/nfs/dbraw/zinc/83/42/43/343834243.db2.gz	LIAKCTWEBFSCGK-UHFFFAOYSA-N	0	0	190.290	3.102	10	0		AGAERN
O=C1CC[C@H](C2CCCCCC2)C1	128591553	343834710	/nfs/dbraw/zinc/83/47/10/343834710.db2.gz	HLMNSRUUUXFYKQ-NSHDSACASA-N	0	0	180.291	3.326	10	0		AGAERN
Fc1cc(Cl)cc(NC2CCC2)c1	128594900	343834866	/nfs/dbraw/zinc/83/48/66/343834866.db2.gz	CNXROXSBIJMJFY-UHFFFAOYSA-N	0	0	199.656	3.444	10	0		AGAERN
C[C@@H](C[C@@H](C)O)C1CCCCCC1	128693728	343835855	/nfs/dbraw/zinc/83/58/55/343835855.db2.gz	SDQVOJSZRIMDKX-WDEREUQCSA-N	0	0	184.323	3.364	10	0		AGAERN
CSCc1cccc(NC(C)C)c1	128650563	343835374	/nfs/dbraw/zinc/83/53/74/343835374.db2.gz	GTDHAJKAIMGGIY-UHFFFAOYSA-N	0	0	195.331	3.370	10	0		AGAERN
CSCc1ccc(NC(C)C)cc1	128634643	343835504	/nfs/dbraw/zinc/83/55/04/343835504.db2.gz	DKEKFZOCNNVHIT-UHFFFAOYSA-N	0	0	195.331	3.370	10	0		AGAERN
CCC[C@H](O)c1coc2ccccc12	128674147	343835546	/nfs/dbraw/zinc/83/55/46/343835546.db2.gz	IAYNDEOMOWNRQK-NSHDSACASA-N	0	0	190.242	3.266	10	0		AGAERN
CCC[C@@H](O)c1coc2ccccc12	128674389	343835683	/nfs/dbraw/zinc/83/56/83/343835683.db2.gz	IAYNDEOMOWNRQK-LLVKDONJSA-N	0	0	190.242	3.266	10	0		AGAERN
C[C@@H](O)C[C@@H](C)C1CCCCCC1	128693958	343835906	/nfs/dbraw/zinc/83/59/06/343835906.db2.gz	SDQVOJSZRIMDKX-GHMZBOCLSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H](O)C[C@H](C)C1CCCCCC1	128694209	343836210	/nfs/dbraw/zinc/83/62/10/343836210.db2.gz	SDQVOJSZRIMDKX-QWRGUYRKSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H](O)C[C@@H](C)C1CCCCCC1	128694450	343836250	/nfs/dbraw/zinc/83/62/50/343836250.db2.gz	SDQVOJSZRIMDKX-MNOVXSKESA-N	0	0	184.323	3.364	10	0		AGAERN
CSCCNc1cccc(C)c1C	128860031	343838674	/nfs/dbraw/zinc/83/86/74/343838674.db2.gz	FGCJLADWSGSNER-UHFFFAOYSA-N	0	0	195.331	3.078	10	0		AGAERN
CSCCNc1c(C)cccc1C	128940550	343840854	/nfs/dbraw/zinc/84/08/54/343840854.db2.gz	DUIWNQSDWHUCDI-UHFFFAOYSA-N	0	0	195.331	3.078	10	0		AGAERN
O=C(CC1CCCCCC1)C1CC1	129235778	343846313	/nfs/dbraw/zinc/84/63/13/343846313.db2.gz	BLBGYNVOKORWIA-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
CC(=O)[C@@H](C)C1CCCCCC1	129227580	343846433	/nfs/dbraw/zinc/84/64/33/343846433.db2.gz	VVOLJJRTARFSFE-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(=O)[C@H](C)C1CCCCCC1	129227823	343846643	/nfs/dbraw/zinc/84/66/43/343846643.db2.gz	VVOLJJRTARFSFE-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@](C)(O)C1CCCCCC1	129300805	343847570	/nfs/dbraw/zinc/84/75/70/343847570.db2.gz	JWTZVLZKDMOPKB-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
CC[C@@](C)(O)C1CCCCCC1	129301037	343847612	/nfs/dbraw/zinc/84/76/12/343847612.db2.gz	JWTZVLZKDMOPKB-LLVKDONJSA-N	0	0	170.296	3.118	10	0		AGAERN
OC1(C2CCCCCC2)CCCC1	129292963	343847757	/nfs/dbraw/zinc/84/77/57/343847757.db2.gz	KJVUWNCJBHYVEQ-UHFFFAOYSA-N	0	0	182.307	3.262	10	0		AGAERN
CC(=O)c1cc2cc(F)cc(C)c2o1	129329492	343848020	/nfs/dbraw/zinc/84/80/20/343848020.db2.gz	AOIWMSWQHCBDBZ-UHFFFAOYSA-N	0	0	192.189	3.083	10	0		AGAERN
CC1(C(=O)C2CCCCCC2)CC1	129470347	343851519	/nfs/dbraw/zinc/85/15/19/343851519.db2.gz	YOWABGHEFDHBJS-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
CCc1sc(NC(C)(C)C)nc1C	129505913	343852115	/nfs/dbraw/zinc/85/21/15/343852115.db2.gz	BNYPIEBVQVVCHY-UHFFFAOYSA-N	0	0	198.335	3.224	10	0		AGAERN
CCc1c(C)[nH]c2ccc(OC)cc12	129525495	343852350	/nfs/dbraw/zinc/85/23/50/343852350.db2.gz	RLXPMDGXCPYADN-UHFFFAOYSA-N	0	0	189.258	3.047	10	0		AGAERN
CCc1c(C)[nH]c2c(F)cccc12	129524332	343852436	/nfs/dbraw/zinc/85/24/36/343852436.db2.gz	UJAAHMOSVRFDNW-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
Cc1csc(N[C@@H]2CC[C@@H](C)C2)n1	129657199	343854843	/nfs/dbraw/zinc/85/48/43/343854843.db2.gz	VUKXCFZISZCOKY-VXNVDRBHSA-N	0	0	196.319	3.052	10	0		AGAERN
Cc1csc(N[C@H]2CC[C@@H](C)C2)n1	129657436	343854851	/nfs/dbraw/zinc/85/48/51/343854851.db2.gz	VUKXCFZISZCOKY-APPZFPTMSA-N	0	0	196.319	3.052	10	0		AGAERN
Cc1ccc(C=O)c(-c2ccco2)c1	129709621	343855618	/nfs/dbraw/zinc/85/56/18/343855618.db2.gz	NPZIXSCRYYOROI-UHFFFAOYSA-N	0	0	186.210	3.068	10	0		AGAERN
OC1(C2CC2)CCC2(CCCC2)CC1	129929597	343859345	/nfs/dbraw/zinc/85/93/45/343859345.db2.gz	ISQVGYRQHNAKKH-UHFFFAOYSA-N	0	0	194.318	3.262	10	0		AGAERN
CCC1(O)CCC2(CCCC2)CC1	129944477	343859541	/nfs/dbraw/zinc/85/95/41/343859541.db2.gz	KFPULRMCNHJQQX-UHFFFAOYSA-N	0	0	182.307	3.262	10	0		AGAERN
OCC1(C2CCCCC2)CCCC1	129989827	343859982	/nfs/dbraw/zinc/85/99/82/343859982.db2.gz	HPMIVSQAAIAWLZ-UHFFFAOYSA-N	0	0	182.307	3.119	10	0		AGAERN
OCC1(C2CCCC2)CCCCC1	129989180	343860171	/nfs/dbraw/zinc/86/01/71/343860171.db2.gz	IJOXFSMWMLRZDV-UHFFFAOYSA-N	0	0	182.307	3.119	10	0		AGAERN
CC[C@@H](F)c1cccc2c1NCC2	130586711	343870233	/nfs/dbraw/zinc/87/02/33/343870233.db2.gz	DLBLQWPYDROQHU-SNVBAGLBSA-N	0	0	179.238	3.075	10	0		AGAERN
CC[C@H](F)c1cccc2c1NCC2	130586533	343870287	/nfs/dbraw/zinc/87/02/87/343870287.db2.gz	DLBLQWPYDROQHU-JTQLQIEISA-N	0	0	179.238	3.075	10	0		AGAERN
CCC[C@H](F)c1cccc2c1NCC2	130588625	343870327	/nfs/dbraw/zinc/87/03/27/343870327.db2.gz	BDGRDDNDIZWNJO-NSHDSACASA-N	0	0	193.265	3.465	10	0		AGAERN
CC(C)[C@@H](F)c1cccc2c1NCC2	130581139	343870462	/nfs/dbraw/zinc/87/04/62/343870462.db2.gz	DUNACXXQUFRPMP-LLVKDONJSA-N	0	0	193.265	3.321	10	0		AGAERN
CCC[C@@H](F)c1cccc2c1NCC2	130588860	343870467	/nfs/dbraw/zinc/87/04/67/343870467.db2.gz	BDGRDDNDIZWNJO-LLVKDONJSA-N	0	0	193.265	3.465	10	0		AGAERN
CC(C)[C@H](F)c1cccc2c1NCC2	130580968	343870469	/nfs/dbraw/zinc/87/04/69/343870469.db2.gz	DUNACXXQUFRPMP-NSHDSACASA-N	0	0	193.265	3.321	10	0		AGAERN
F[C@H](c1cccc2c1NCC2)C1CC1	130590127	343870746	/nfs/dbraw/zinc/87/07/46/343870746.db2.gz	PNJAHULPDOQZJJ-NSHDSACASA-N	0	0	191.249	3.075	10	0		AGAERN
F[C@@H](c1cccc2c1NCC2)C1CC1	130589929	343871123	/nfs/dbraw/zinc/87/11/23/343871123.db2.gz	PNJAHULPDOQZJJ-LLVKDONJSA-N	0	0	191.249	3.075	10	0		AGAERN
O=Cc1cc2ccc(Cl)c(F)c2o1	130728669	343873880	/nfs/dbraw/zinc/87/38/80/343873880.db2.gz	BNRPPGPTEHQLGR-UHFFFAOYSA-N	0	0	198.580	3.038	10	0		AGAERN
CCc1ccc2c(c1)[C@@H](O)CC[C@@H]2C	131010460	343878583	/nfs/dbraw/zinc/87/85/83/343878583.db2.gz	PVJIWSACSQYECZ-ZANVPECISA-N	0	0	190.286	3.180	10	0		AGAERN
C[C@@H]1CC[C@H](O)c2cc(Cl)ccc21	131007790	343878596	/nfs/dbraw/zinc/87/85/96/343878596.db2.gz	ALPHUDNPWASJLT-HQJQHLMTSA-N	0	0	196.677	3.271	10	0		AGAERN
Cc1ccc(C)c2c1[C@@H](O)CC[C@H]2C	130994303	343878602	/nfs/dbraw/zinc/87/86/02/343878602.db2.gz	WXRITLBHPNTYQQ-KOLCDFICSA-N	0	0	190.286	3.234	10	0		AGAERN
CCc1ccc2c(c1)[C@@H](O)CC[C@H]2C	131010647	343878615	/nfs/dbraw/zinc/87/86/15/343878615.db2.gz	PVJIWSACSQYECZ-RNCFNFMXSA-N	0	0	190.286	3.180	10	0		AGAERN
Cc1ccc(C)c2c1[C@@H](C)CC[C@@H]2O	130994154	343878640	/nfs/dbraw/zinc/87/86/40/343878640.db2.gz	WXRITLBHPNTYQQ-ONGXEEELSA-N	0	0	190.286	3.234	10	0		AGAERN
Cc1ccc(C)c2c1[C@H](C)CC[C@H]2O	130994748	343878696	/nfs/dbraw/zinc/87/86/96/343878696.db2.gz	WXRITLBHPNTYQQ-MWLCHTKSSA-N	0	0	190.286	3.234	10	0		AGAERN
Cc1ccc(C)c2c1[C@@H](C)CC[C@H]2O	130994525	343878906	/nfs/dbraw/zinc/87/89/06/343878906.db2.gz	WXRITLBHPNTYQQ-GXSJLCMTSA-N	0	0	190.286	3.234	10	0		AGAERN
C[C@H]1CC[C@H](O)c2cc(Cl)ccc21	131008004	343878907	/nfs/dbraw/zinc/87/89/07/343878907.db2.gz	ALPHUDNPWASJLT-CPCISQLKSA-N	0	0	196.677	3.271	10	0		AGAERN
CSCCn1ccc2ccccc21	131122108	343879841	/nfs/dbraw/zinc/87/98/41/343879841.db2.gz	IZPHPTMJSOSKLQ-UHFFFAOYSA-N	0	0	191.299	3.004	10	0		AGAERN
CCCc1nc2c([nH]1)[C@H](C)C[C@@H](C)C2	131126393	343880432	/nfs/dbraw/zinc/88/04/32/343880432.db2.gz	LQPSITFXLSHYQV-RKDXNWHRSA-N	0	0	192.306	3.048	10	0		AGAERN
CC(C)=C[C@H]([NH3+])c1sccc1C	131148309	343880459	/nfs/dbraw/zinc/88/04/59/343880459.db2.gz	SNGVTFNJQVZWJF-VIFPVBQESA-N	0	0	181.304	3.023	10	0		AGAERN
CCCc1nc2c([nH]1)[C@@H](C)C[C@H](C)C2	131126180	343880563	/nfs/dbraw/zinc/88/05/63/343880563.db2.gz	LQPSITFXLSHYQV-IUCAKERBSA-N	0	0	192.306	3.048	10	0		AGAERN
CCCc1nc2c([nH]1)[C@H](C)C[C@H](C)C2	131125958	343880775	/nfs/dbraw/zinc/88/07/75/343880775.db2.gz	LQPSITFXLSHYQV-DTWKUNHWSA-N	0	0	192.306	3.048	10	0		AGAERN
CC(C)=C[C@@H]([NH3+])c1sccc1C	131148092	343880829	/nfs/dbraw/zinc/88/08/29/343880829.db2.gz	SNGVTFNJQVZWJF-SECBINFHSA-N	0	0	181.304	3.023	10	0		AGAERN
CCCc1nc2c([nH]1)[C@@H](C)C[C@@H](C)C2	131126618	343880844	/nfs/dbraw/zinc/88/08/44/343880844.db2.gz	LQPSITFXLSHYQV-BDAKNGLRSA-N	0	0	192.306	3.048	10	0		AGAERN
CC[C@](C)(O)c1cc2ccccc2o1	131557368	343886451	/nfs/dbraw/zinc/88/64/51/343886451.db2.gz	HUROPOVRJFWAIS-LBPRGKRZSA-N	0	0	190.242	3.050	10	0		AGAERN
CC[C@@](C)(O)c1cc2ccccc2o1	131557598	343886585	/nfs/dbraw/zinc/88/65/85/343886585.db2.gz	HUROPOVRJFWAIS-GFCCVEGCSA-N	0	0	190.242	3.050	10	0		AGAERN
CC(=O)c1ccc(SC(C)(C)C)o1	131584007	343886637	/nfs/dbraw/zinc/88/66/37/343886637.db2.gz	PNDIXQZKNJWOJH-UHFFFAOYSA-N	0	0	198.287	3.373	10	0		AGAERN
C[C@@H]1CCC[C@@H](c2nc(N)cs2)C1	131831883	343889204	/nfs/dbraw/zinc/88/92/04/343889204.db2.gz	FOQXQHBGUWPESJ-HTQZYQBOSA-N	0	0	196.319	3.019	10	0		AGAERN
CC[C@@H]1Cc2ccccc2C(=O)[C@@H]1C	131833723	343889239	/nfs/dbraw/zinc/88/92/39/343889239.db2.gz	YPEGXPXPQMMUJG-NXEZZACHSA-N	0	0	188.270	3.088	10	0		AGAERN
C[C@H]1CCC[C@H](c2nc(N)cs2)C1	131831700	343889264	/nfs/dbraw/zinc/88/92/64/343889264.db2.gz	FOQXQHBGUWPESJ-YUMQZZPRSA-N	0	0	196.319	3.019	10	0		AGAERN
CC[C@H]1Cc2ccccc2C(=O)[C@H]1C	131834314	343889269	/nfs/dbraw/zinc/88/92/69/343889269.db2.gz	YPEGXPXPQMMUJG-UWVGGRQHSA-N	0	0	188.270	3.088	10	0		AGAERN
C[C@H]1CCC[C@@H](c2nc(N)cs2)C1	131832091	343889336	/nfs/dbraw/zinc/88/93/36/343889336.db2.gz	FOQXQHBGUWPESJ-JGVFFNPUSA-N	0	0	196.319	3.019	10	0		AGAERN
C[C@@H]1CCC[C@H](c2nc(N)cs2)C1	131831486	343889368	/nfs/dbraw/zinc/88/93/68/343889368.db2.gz	FOQXQHBGUWPESJ-SFYZADRCSA-N	0	0	196.319	3.019	10	0		AGAERN
CC[C@@H]1Cc2ccccc2C(=O)[C@H]1C	131834141	343889429	/nfs/dbraw/zinc/88/94/29/343889429.db2.gz	YPEGXPXPQMMUJG-VHSXEESVSA-N	0	0	188.270	3.088	10	0		AGAERN
CC1CCC(c2nc(N)cs2)CC1	131825764	343889457	/nfs/dbraw/zinc/88/94/57/343889457.db2.gz	QXVBRSVZQIJDHJ-UHFFFAOYSA-N	0	0	196.319	3.019	10	0		AGAERN
Nc1csc(C2CCCCCC2)n1	131826234	343889477	/nfs/dbraw/zinc/88/94/77/343889477.db2.gz	RYXSQMMOJIRUTH-UHFFFAOYSA-N	0	0	196.319	3.163	10	0		AGAERN
CC[C@@H]1CC[C@@H](c2nc(N)cs2)C1	131858028	343889696	/nfs/dbraw/zinc/88/96/96/343889696.db2.gz	VZCHYIUFUAJRDO-HTQZYQBOSA-N	0	0	196.319	3.019	10	0		AGAERN
CC[C@H]1CC[C@@H](c2nc(N)cs2)C1	131858244	343889815	/nfs/dbraw/zinc/88/98/15/343889815.db2.gz	VZCHYIUFUAJRDO-JGVFFNPUSA-N	0	0	196.319	3.019	10	0		AGAERN
CC[C@@H]1CC[C@H](c2nc(N)cs2)C1	131857621	343889943	/nfs/dbraw/zinc/88/99/43/343889943.db2.gz	VZCHYIUFUAJRDO-SFYZADRCSA-N	0	0	196.319	3.019	10	0		AGAERN
CC[C@H]1CC[C@H](c2nc(N)cs2)C1	131857837	343889961	/nfs/dbraw/zinc/88/99/61/343889961.db2.gz	VZCHYIUFUAJRDO-YUMQZZPRSA-N	0	0	196.319	3.019	10	0		AGAERN
C[C@H]1CCC[C@H](c2nccs2)C1	131884499	343890427	/nfs/dbraw/zinc/89/04/27/343890427.db2.gz	BLPGPFIPYINTCW-IUCAKERBSA-N	0	0	181.304	3.437	10	0		AGAERN
CCC[C@@H](NO)c1ccc(Cl)cc1	132017481	343892196	/nfs/dbraw/zinc/89/21/96/343892196.db2.gz	JVCCXQOLXSYXEG-SNVBAGLBSA-N	0	0	199.681	3.160	10	0		AGAERN
CCC[C@H](NO)c1ccc(Cl)cc1	132017263	343892203	/nfs/dbraw/zinc/89/22/03/343892203.db2.gz	JVCCXQOLXSYXEG-JTQLQIEISA-N	0	0	199.681	3.160	10	0		AGAERN
CCCC[C@H](NO)c1ccc(F)cc1	132055230	343893157	/nfs/dbraw/zinc/89/31/57/343893157.db2.gz	ILJKEBDWBVOISY-NSHDSACASA-N	0	0	197.253	3.036	10	0		AGAERN
c1ccc2c(c1)ccn2Cc1ccoc1	132069693	343893206	/nfs/dbraw/zinc/89/32/06/343893206.db2.gz	MGLZRQOUYBXCMM-UHFFFAOYSA-N	0	0	197.237	3.283	10	0		AGAERN
CCCC[C@@H](NO)c1ccc(F)cc1	132055440	343893334	/nfs/dbraw/zinc/89/33/34/343893334.db2.gz	ILJKEBDWBVOISY-LLVKDONJSA-N	0	0	197.253	3.036	10	0		AGAERN
Cc1ccccc1OCc1ccoc1	132074106	343893352	/nfs/dbraw/zinc/89/33/52/343893352.db2.gz	VLJJHWYWCNZMCM-UHFFFAOYSA-N	0	0	188.226	3.167	10	0		AGAERN
Cc1ccc(OCc2ccoc2)cc1	132074901	343893797	/nfs/dbraw/zinc/89/37/97/343893797.db2.gz	BJWLYRDYVUSYKW-UHFFFAOYSA-N	0	0	188.226	3.167	10	0		AGAERN
Cc1cccc(OCc2ccoc2)c1	132075566	343893854	/nfs/dbraw/zinc/89/38/54/343893854.db2.gz	MWNWMUCGHHIOBB-UHFFFAOYSA-N	0	0	188.226	3.167	10	0		AGAERN
CCc1cnc(C2CCCC2)s1	132110459	343894163	/nfs/dbraw/zinc/89/41/63/343894163.db2.gz	ICLCNZOOEZGYJM-UHFFFAOYSA-N	0	0	181.304	3.363	10	0		AGAERN
CC(C)(C)Nc1cccc(Cl)c1N	132671743	343902565	/nfs/dbraw/zinc/90/25/65/343902565.db2.gz	WSPVHQWGRFRDGU-UHFFFAOYSA-N	0	0	198.697	3.133	10	0		AGAERN
Cc1cc(C(=O)OC(C)(C)C)cs1	132728508	343903189	/nfs/dbraw/zinc/90/31/89/343903189.db2.gz	LDEAWYNWBPPJFZ-UHFFFAOYSA-N	0	0	198.287	3.012	10	0		AGAERN
C[C@H]1Cc2c(N)csc2[C@H](C)C1	132968682	343908663	/nfs/dbraw/zinc/90/86/63/343908663.db2.gz	CATBJONDYCEVBC-RNFRBKRXSA-N	0	0	181.304	3.016	10	0		AGAERN
C[C@@H]1c2c(N)csc2CC[C@H]1C	132968083	343908689	/nfs/dbraw/zinc/90/86/89/343908689.db2.gz	WGNYXJUSDJELAS-RQJHMYQMSA-N	0	0	181.304	3.016	10	0		AGAERN
CCC[C@H]1CCc2c(N)csc2C1	132974250	343908726	/nfs/dbraw/zinc/90/87/26/343908726.db2.gz	ACALTDNTOYBDLK-QMMMGPOBSA-N	0	0	195.331	3.235	10	0		AGAERN
Nc1cscc1-c1cccc(F)c1	132964039	343908761	/nfs/dbraw/zinc/90/87/61/343908761.db2.gz	XIDPHZHSZHEMJX-UHFFFAOYSA-N	0	0	193.246	3.136	10	0		AGAERN
C[C@H]1CCc2scc(N)c2[C@@H]1C	132967875	343908776	/nfs/dbraw/zinc/90/87/76/343908776.db2.gz	WGNYXJUSDJELAS-NKWVEPMBSA-N	0	0	181.304	3.016	10	0		AGAERN
C[C@H]1CCc2scc(N)c2[C@H]1C	132968284	343908793	/nfs/dbraw/zinc/90/87/93/343908793.db2.gz	WGNYXJUSDJELAS-BQBZGAKWSA-N	0	0	181.304	3.016	10	0		AGAERN
C[C@@H]1CCc2scc(N)c2[C@@H]1C	132967678	343908895	/nfs/dbraw/zinc/90/88/95/343908895.db2.gz	WGNYXJUSDJELAS-RNFRBKRXSA-N	0	0	181.304	3.016	10	0		AGAERN
C[C@@H]1Cc2c(N)csc2[C@H](C)C1	132968481	343908899	/nfs/dbraw/zinc/90/88/99/343908899.db2.gz	CATBJONDYCEVBC-NKWVEPMBSA-N	0	0	181.304	3.016	10	0		AGAERN
CCC[C@@H]1CCc2c(N)csc2C1	132974046	343908952	/nfs/dbraw/zinc/90/89/52/343908952.db2.gz	ACALTDNTOYBDLK-MRVPVSSYSA-N	0	0	195.331	3.235	10	0		AGAERN
C[C@H]1C[C@@H](C)Cc2c(N)csc21	132969067	343909006	/nfs/dbraw/zinc/90/90/06/343909006.db2.gz	CATBJONDYCEVBC-RQJHMYQMSA-N	0	0	181.304	3.016	10	0		AGAERN
C[C@@H]1Cc2c(N)csc2[C@@H](C)C1	132968868	343909048	/nfs/dbraw/zinc/90/90/48/343909048.db2.gz	CATBJONDYCEVBC-BQBZGAKWSA-N	0	0	181.304	3.016	10	0		AGAERN
C[C@@H]1Cc2scc(N)c2[C@@H](C)C1	132978690	343909192	/nfs/dbraw/zinc/90/91/92/343909192.db2.gz	KPWSJPXCHWPWCZ-BQBZGAKWSA-N	0	0	181.304	3.016	10	0		AGAERN
CC[C@H]1CCCc2scc(N)c21	132979304	343909232	/nfs/dbraw/zinc/90/92/32/343909232.db2.gz	HIKWLCBTNULQKF-ZETCQYMHSA-N	0	0	181.304	3.160	10	0		AGAERN
CC(C)Cc1csc(Cl)c1N	132982952	343909264	/nfs/dbraw/zinc/90/92/64/343909264.db2.gz	ROYLPRYTYXXHNE-UHFFFAOYSA-N	0	0	189.711	3.182	10	0		AGAERN
C[C@@H]1Cc2scc(N)c2[C@H](C)C1	132978306	343909391	/nfs/dbraw/zinc/90/93/91/343909391.db2.gz	KPWSJPXCHWPWCZ-NKWVEPMBSA-N	0	0	181.304	3.016	10	0		AGAERN
CC(C)[C@@H]1CCc2c(N)csc2C1	132975785	343909410	/nfs/dbraw/zinc/90/94/10/343909410.db2.gz	ZMCVTGVRGHXQER-MRVPVSSYSA-N	0	0	195.331	3.091	10	0		AGAERN
CC(C)[C@H]1CCc2c(N)csc2C1	132975986	343909422	/nfs/dbraw/zinc/90/94/22/343909422.db2.gz	ZMCVTGVRGHXQER-QMMMGPOBSA-N	0	0	195.331	3.091	10	0		AGAERN
C[C@H]1Cc2scc(N)c2[C@H](C)C1	132978501	343909440	/nfs/dbraw/zinc/90/94/40/343909440.db2.gz	KPWSJPXCHWPWCZ-RNFRBKRXSA-N	0	0	181.304	3.016	10	0		AGAERN
CC[C@H](C)c1csc(Cl)c1N	132983764	343909475	/nfs/dbraw/zinc/90/94/75/343909475.db2.gz	RFQOZQRMSMFFJX-YFKPBYRVSA-N	0	0	189.711	3.497	10	0		AGAERN
CC[C@@H](C)c1csc(Cl)c1N	132983569	343909490	/nfs/dbraw/zinc/90/94/90/343909490.db2.gz	RFQOZQRMSMFFJX-RXMQYKEDSA-N	0	0	189.711	3.497	10	0		AGAERN
C[C@H]1C[C@@H](C)Cc2scc(N)c21	132978887	343909511	/nfs/dbraw/zinc/90/95/11/343909511.db2.gz	KPWSJPXCHWPWCZ-RQJHMYQMSA-N	0	0	181.304	3.016	10	0		AGAERN
Nc1csc(C2CCCCC2)c1	132979922	343909540	/nfs/dbraw/zinc/90/95/40/343909540.db2.gz	WLJWMXGMUZJGDI-UHFFFAOYSA-N	0	0	181.304	3.378	10	0		AGAERN
CC[C@@H]1CCCc2scc(N)c21	132979092	343909581	/nfs/dbraw/zinc/90/95/81/343909581.db2.gz	HIKWLCBTNULQKF-SSDOTTSWSA-N	0	0	181.304	3.160	10	0		AGAERN
Cc1sc(Cl)c(N)c1C1CC1	132992456	343909726	/nfs/dbraw/zinc/90/97/26/343909726.db2.gz	GUDLPACQEPGJNP-UHFFFAOYSA-N	0	0	187.695	3.170	10	0		AGAERN
C[C@H]1CCc2sc(Cl)c(N)c21	132999036	343909735	/nfs/dbraw/zinc/90/97/35/343909735.db2.gz	DMFBGAFIRVHECH-BYPYZUCNSA-N	0	0	187.695	3.033	10	0		AGAERN
CC(C)(C)c1cc(N)c(Cl)s1	132998602	343909743	/nfs/dbraw/zinc/90/97/43/343909743.db2.gz	JNIORSXPJCILDY-UHFFFAOYSA-N	0	0	189.711	3.281	10	0		AGAERN
Cc1sc(Cl)c(N)c1C(C)C	132992234	343909744	/nfs/dbraw/zinc/90/97/44/343909744.db2.gz	VRRKPPAIWQVZMF-UHFFFAOYSA-N	0	0	189.711	3.416	10	0		AGAERN
CC1(c2csc(Cl)c2N)CC1	133003425	343909750	/nfs/dbraw/zinc/90/97/50/343909750.db2.gz	XBHKHNZKNFVMDX-UHFFFAOYSA-N	0	0	187.695	3.035	10	0		AGAERN
CC(C)c1csc(Cl)c1N	133005570	343909760	/nfs/dbraw/zinc/90/97/60/343909760.db2.gz	DCSQQHIPSCXIOU-UHFFFAOYSA-N	0	0	175.684	3.107	10	0		AGAERN
CC(C)c1cc(N)c(Cl)s1	133001373	343909786	/nfs/dbraw/zinc/90/97/86/343909786.db2.gz	HEDYGZZNBLYIOA-UHFFFAOYSA-N	0	0	175.684	3.107	10	0		AGAERN
CCCCc1cc(N)c(Cl)s1	132995587	343909810	/nfs/dbraw/zinc/90/98/10/343909810.db2.gz	GIRULHUVWFVPFO-UHFFFAOYSA-N	0	0	189.711	3.326	10	0		AGAERN
C[C@@H]1CCc2sc(Cl)c(N)c21	132998818	343910015	/nfs/dbraw/zinc/91/00/15/343910015.db2.gz	DMFBGAFIRVHECH-SCSAIBSYSA-N	0	0	187.695	3.033	10	0		AGAERN
CC(C)(C)c1csc(Cl)c1N	133004718	343910046	/nfs/dbraw/zinc/91/00/46/343910046.db2.gz	AXGWHRYCJXWCNJ-UHFFFAOYSA-N	0	0	189.711	3.281	10	0		AGAERN
Cc1cnc(Cl)cc1OCC(C)C	133458001	343919236	/nfs/dbraw/zinc/91/92/36/343919236.db2.gz	GALRZCRRBFZXMF-UHFFFAOYSA-N	0	0	199.681	3.078	10	0		AGAERN
CC[C@@H](C)Oc1cc(Cl)ncc1C	133470687	343919231	/nfs/dbraw/zinc/91/92/31/343919231.db2.gz	INSOOTHOSDGWBE-MRVPVSSYSA-N	0	0	199.681	3.221	10	0		AGAERN
Cc1cnc(Cl)cc1OC(C)(C)C	133465004	343919295	/nfs/dbraw/zinc/91/92/95/343919295.db2.gz	WETFLIOAWKBVRK-UHFFFAOYSA-N	0	0	199.681	3.221	10	0		AGAERN
CC[C@H](C)Oc1cc(Cl)ncc1C	133470922	343919903	/nfs/dbraw/zinc/91/99/03/343919903.db2.gz	INSOOTHOSDGWBE-QMMMGPOBSA-N	0	0	199.681	3.221	10	0		AGAERN
CC[C@@H](O)c1ccc(C(C)(C)C)s1	133492049	343920401	/nfs/dbraw/zinc/92/04/01/343920401.db2.gz	BGAJOXHNKYAAHS-MRVPVSSYSA-N	0	0	198.331	3.489	10	0		AGAERN
Cc1cscc1NC1CCCC1	133495953	343920512	/nfs/dbraw/zinc/92/05/12/343920512.db2.gz	AETAKGGNZURQIR-UHFFFAOYSA-N	0	0	181.304	3.411	10	0		AGAERN
CC[C@H](O)c1ccc(C(C)(C)C)s1	133491848	343920535	/nfs/dbraw/zinc/92/05/35/343920535.db2.gz	BGAJOXHNKYAAHS-QMMMGPOBSA-N	0	0	198.331	3.489	10	0		AGAERN
CCSc1cc(Cl)ncc1C	133738633	343925793	/nfs/dbraw/zinc/92/57/93/343925793.db2.gz	BLDXCBKHBNVXEA-UHFFFAOYSA-N	0	0	187.695	3.155	10	0		AGAERN
Cc1cc(C=O)ccc1-c1ccco1	134092142	343933575	/nfs/dbraw/zinc/93/35/75/343933575.db2.gz	XPIMDVMCYXVEHZ-UHFFFAOYSA-N	0	0	186.210	3.068	10	0		AGAERN
Cc1cscc1N[C@H](C)C1CC1	134324726	343939610	/nfs/dbraw/zinc/93/96/10/343939610.db2.gz	LHRRKLLNDBNUNM-MRVPVSSYSA-N	0	0	181.304	3.267	10	0		AGAERN
CC[C@H](C)Nc1cscc1C	134326219	343939745	/nfs/dbraw/zinc/93/97/45/343939745.db2.gz	NGPAVXOGZKUEMH-QMMMGPOBSA-N	0	0	169.293	3.267	10	0		AGAERN
Cc1cscc1N[C@@H](C)C1CC1	134324707	343939761	/nfs/dbraw/zinc/93/97/61/343939761.db2.gz	LHRRKLLNDBNUNM-QMMMGPOBSA-N	0	0	181.304	3.267	10	0		AGAERN
CC[C@@H](C)Nc1cccc(C)c1F	134391812	343942284	/nfs/dbraw/zinc/94/22/84/343942284.db2.gz	QQKSMDRXPOCTOH-SECBINFHSA-N	0	0	181.254	3.345	10	0		AGAERN
CC[C@H](C)Nc1cccc(C)c1F	134391835	343942403	/nfs/dbraw/zinc/94/24/03/343942403.db2.gz	QQKSMDRXPOCTOH-VIFPVBQESA-N	0	0	181.254	3.345	10	0		AGAERN
CC1(C)CCC[C@@H](NOC(C)(C)C)C1	134484080	343943688	/nfs/dbraw/zinc/94/36/88/343943688.db2.gz	UIXIMCSNIXAIRF-SNVBAGLBSA-N	0	0	199.338	3.275	10	0		AGAERN
CC[C@@H](C)Nc1cc(F)cc(OC)c1	134482778	343943753	/nfs/dbraw/zinc/94/37/53/343943753.db2.gz	OBKOEIGKYKCXHV-MRVPVSSYSA-N	0	0	197.253	3.045	10	0		AGAERN
CC(C)(C)ONC1CCCCCC1	134482323	343943796	/nfs/dbraw/zinc/94/37/96/343943796.db2.gz	ZBWHKWKAZUIODD-UHFFFAOYSA-N	0	0	185.311	3.029	10	0		AGAERN
CC1(C)CCC(NOC(C)(C)C)CC1	134489301	343943909	/nfs/dbraw/zinc/94/39/09/343943909.db2.gz	PARHRQMXVGRXRU-UHFFFAOYSA-N	0	0	199.338	3.275	10	0		AGAERN
CC1(C)CCC[C@H](NOC(C)(C)C)C1	134484061	343943939	/nfs/dbraw/zinc/94/39/39/343943939.db2.gz	UIXIMCSNIXAIRF-JTQLQIEISA-N	0	0	199.338	3.275	10	0		AGAERN
CC[C@H](C)Nc1cc(F)cc(OC)c1	134482799	343943964	/nfs/dbraw/zinc/94/39/64/343943964.db2.gz	OBKOEIGKYKCXHV-QMMMGPOBSA-N	0	0	197.253	3.045	10	0		AGAERN
CCc1cccc2c(Cl)c[nH]c12	134722039	343948578	/nfs/dbraw/zinc/94/85/78/343948578.db2.gz	TUHKHCZPRPRZHW-UHFFFAOYSA-N	0	0	179.650	3.384	10	0		AGAERN
CCOc1ccc2[nH]cc(Cl)c2c1	134722822	343948971	/nfs/dbraw/zinc/94/89/71/343948971.db2.gz	YGOOEHPKWXWQBF-UHFFFAOYSA-N	0	0	195.649	3.220	10	0		AGAERN
Clc1cccc2[nH]cc(Cl)c12	134722728	343949159	/nfs/dbraw/zinc/94/91/59/343949159.db2.gz	KMTKJVMLYQVUOR-UHFFFAOYSA-N	0	0	186.041	3.475	10	0		AGAERN
Cc1ccc(-c2ccsc2)c(N)c1	134872675	343950492	/nfs/dbraw/zinc/95/04/92/343950492.db2.gz	WPJLGLXUIYLTSB-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
CCc1oc2ccccc2c1[C@@H](C)O	134885600	343950620	/nfs/dbraw/zinc/95/06/20/343950620.db2.gz	FCDBYEJMZJXOBZ-MRVPVSSYSA-N	0	0	190.242	3.049	10	0		AGAERN
C[C@@H](O)c1ccc(C(C)(C)C)s1	134887549	343950876	/nfs/dbraw/zinc/95/08/76/343950876.db2.gz	VWDUXYFGNAWQKL-SSDOTTSWSA-N	0	0	184.304	3.099	10	0		AGAERN
CC(=O)c1ccc(C2CC2)cc1Cl	135038797	343953506	/nfs/dbraw/zinc/95/35/06/343953506.db2.gz	BSOMVUDTZURTDA-UHFFFAOYSA-N	0	0	194.661	3.420	10	0		AGAERN
O[C@]1(C2CCCCC2)C=CCCC1	135112488	343954757	/nfs/dbraw/zinc/95/47/57/343954757.db2.gz	LAHSFLKSEQZEMY-GFCCVEGCSA-N	0	0	180.291	3.038	10	0		AGAERN
O[C@@]1(C2CCCCC2)C=CCCC1	135112507	343954790	/nfs/dbraw/zinc/95/47/90/343954790.db2.gz	LAHSFLKSEQZEMY-LBPRGKRZSA-N	0	0	180.291	3.038	10	0		AGAERN
CCC(C)(C)Nc1ncccc1Cl	135149652	343955560	/nfs/dbraw/zinc/95/55/60/343955560.db2.gz	KIMHJUDLDQMYFN-UHFFFAOYSA-N	0	0	198.697	3.336	10	0		AGAERN
CCC(C)(C)Nc1ccncc1Cl	135150742	343955599	/nfs/dbraw/zinc/95/55/99/343955599.db2.gz	GNPUGLATUXCZQL-UHFFFAOYSA-N	0	0	198.697	3.336	10	0		AGAERN
CCC(C)(C)Nc1nc(C)cs1	135150376	343955717	/nfs/dbraw/zinc/95/57/17/343955717.db2.gz	GRBYKZOLWHHNTM-UHFFFAOYSA-N	0	0	184.308	3.052	10	0		AGAERN
CC[C@@H](C)Nc1c(C)cccc1F	135234119	343957844	/nfs/dbraw/zinc/95/78/44/343957844.db2.gz	AEVPJLXHHCTDKE-SECBINFHSA-N	0	0	181.254	3.345	10	0		AGAERN
Cc1cccc(F)c1N[C@H](C)C1CC1	135234217	343957857	/nfs/dbraw/zinc/95/78/57/343957857.db2.gz	QRISLCFMXCOWBQ-SECBINFHSA-N	0	0	193.265	3.345	10	0		AGAERN
Cc1cccc(F)c1NC1CCCC1	135236459	343957867	/nfs/dbraw/zinc/95/78/67/343957867.db2.gz	CYNKBKBCNMCBIY-UHFFFAOYSA-N	0	0	193.265	3.489	10	0		AGAERN
Cc1cccc(F)c1NC1CCC1	135236924	343957896	/nfs/dbraw/zinc/95/78/96/343957896.db2.gz	QZIFBMZAKHCEIW-UHFFFAOYSA-N	0	0	179.238	3.099	10	0		AGAERN
CC[C@H](C)Nc1c(C)cccc1F	135234141	343957908	/nfs/dbraw/zinc/95/79/08/343957908.db2.gz	AEVPJLXHHCTDKE-VIFPVBQESA-N	0	0	181.254	3.345	10	0		AGAERN
CC[C@H](C)Oc1ccc(F)c(C)c1	135406805	343961623	/nfs/dbraw/zinc/96/16/23/343961623.db2.gz	FEPXBBAQNMFBLJ-VIFPVBQESA-N	0	0	182.238	3.311	10	0		AGAERN
CC(C)=CCOc1ccc(F)c(C)c1	135408887	343961637	/nfs/dbraw/zinc/96/16/37/343961637.db2.gz	UVOPQBHUUYZCSC-UHFFFAOYSA-N	0	0	194.249	3.479	10	0		AGAERN
CC[C@@H](C)Oc1ccc(F)c(C)c1	135406781	343961659	/nfs/dbraw/zinc/96/16/59/343961659.db2.gz	FEPXBBAQNMFBLJ-SECBINFHSA-N	0	0	182.238	3.311	10	0		AGAERN
Cc1ccncc1CNc1ccccc1	135428620	343962953	/nfs/dbraw/zinc/96/29/53/343962953.db2.gz	FELLHXSHONSDOQ-UHFFFAOYSA-N	0	0	198.269	3.002	10	0		AGAERN
Fc1ccc(F)c2ccccc12	135696663	343966631	/nfs/dbraw/zinc/96/66/31/343966631.db2.gz	VTEZPNHRQSIHFM-UHFFFAOYSA-N	0	0	164.154	3.118	10	0		AGAERN
CCS/C=C/c1ccccc1	135697145	343966677	/nfs/dbraw/zinc/96/66/77/343966677.db2.gz	KMBNERGBMXMGRI-CMDGGOBGSA-N	0	0	164.273	3.410	10	0		AGAERN
OCCC/C=C/Sc1ccccc1	135763231	343967586	/nfs/dbraw/zinc/96/75/86/343967586.db2.gz	PJZRNXUYKKIAOK-UXBLZVDNSA-N	0	0	194.299	3.065	10	0		AGAERN
O=C1CC[C@@H](/C=C/c2ccccc2)C1	135758338	343967624	/nfs/dbraw/zinc/96/76/24/343967624.db2.gz	ARBZJQANXYUBNI-NNNHXZLVSA-N	0	0	186.254	3.069	10	0		AGAERN
CCSCCOc1ccc(C)cc1	135800124	343967795	/nfs/dbraw/zinc/96/77/95/343967795.db2.gz	HNZNFPDOQWOJFF-UHFFFAOYSA-N	0	0	196.315	3.127	10	0		AGAERN
Cc1cc2ncn(C(C)C)c2cc1C	135792280	343967964	/nfs/dbraw/zinc/96/79/64/343967964.db2.gz	RDWYZVRVIINWPN-UHFFFAOYSA-N	0	0	188.274	3.234	10	0		AGAERN
CSCCOc1c(C)cccc1C	135821601	343968345	/nfs/dbraw/zinc/96/83/45/343968345.db2.gz	GVZVEMPWFRTAJK-UHFFFAOYSA-N	0	0	196.315	3.045	10	0		AGAERN
C/C=C(\Cl)c1ccccc1	135864056	343969235	/nfs/dbraw/zinc/96/92/35/343969235.db2.gz	FCJBLLVHGCDVAG-MBXJOHMKSA-N	0	0	152.624	3.286	10	0		AGAERN
C=C/C=C/C1CCCCC1	135871374	343969341	/nfs/dbraw/zinc/96/93/41/343969341.db2.gz	CWJUFEWATZFFCY-XVNBXDOJSA-N	0	0	136.238	3.309	10	0		AGAERN
C/C(Br)=C\c1ccccc1	135891938	343971015	/nfs/dbraw/zinc/97/10/15/343971015.db2.gz	KKSKXOVFUCIEHH-BQYQJAHWSA-N	0	0	197.075	3.442	10	0		AGAERN
Cc1c(C(C)C)nc2n1CCC[C@H]2C	135896487	343971162	/nfs/dbraw/zinc/97/11/62/343971162.db2.gz	MCUNYXIPXNCAQU-SECBINFHSA-N	0	0	192.306	3.212	10	0		AGAERN
C[C@@H]1CCCn2c(C(C)(C)C)cnc21	135893881	343971184	/nfs/dbraw/zinc/97/11/84/343971184.db2.gz	LBOQCSBDIRMTIX-SECBINFHSA-N	0	0	192.306	3.078	10	0		AGAERN
C[C@H]1CCCn2c(C(C)(C)C)cnc21	135893909	343971200	/nfs/dbraw/zinc/97/12/00/343971200.db2.gz	LBOQCSBDIRMTIX-VIFPVBQESA-N	0	0	192.306	3.078	10	0		AGAERN
Cc1c(C(C)C)nc2n1CCC[C@@H]2C	135896448	343971251	/nfs/dbraw/zinc/97/12/51/343971251.db2.gz	MCUNYXIPXNCAQU-VIFPVBQESA-N	0	0	192.306	3.212	10	0		AGAERN
Cc1c(C(C)C)nc2n1[C@H](C)CCC2	135913386	343971542	/nfs/dbraw/zinc/97/15/42/343971542.db2.gz	OSTOLMQNENTKLU-SECBINFHSA-N	0	0	192.306	3.212	10	0		AGAERN
Cc1c(C(C)C)nc2n1[C@@H](C)CCC2	135913426	343971772	/nfs/dbraw/zinc/97/17/72/343971772.db2.gz	OSTOLMQNENTKLU-VIFPVBQESA-N	0	0	192.306	3.212	10	0		AGAERN
CC/C(F)=C(\Br)CC	135987321	343972586	/nfs/dbraw/zinc/97/25/86/343972586.db2.gz	GTODMJXANYSEBA-AATRIKPKSA-N	0	0	181.048	3.382	10	0		AGAERN
C=C/C=C/CC/C=C/C=C	136022913	343973411	/nfs/dbraw/zinc/97/34/11/343973411.db2.gz	QSEXTFWBXFSYTB-KQQUZDAGSA-N	0	0	134.222	3.251	10	0		AGAERN
F/C=C/c1ccc(Cl)cc1	136118686	343974849	/nfs/dbraw/zinc/97/48/49/343974849.db2.gz	WZHDQGLZKXJZTN-AATRIKPKSA-N	0	0	156.587	3.280	10	0		AGAERN
CCSCCCOc1ccccc1	136126337	343975365	/nfs/dbraw/zinc/97/53/65/343975365.db2.gz	CXVDRWLSIFSJIP-UHFFFAOYSA-N	0	0	196.315	3.209	10	0		AGAERN
CCSC/C=C/c1ccccc1	136271235	343978534	/nfs/dbraw/zinc/97/85/34/343978534.db2.gz	HMTMMROZCGHPOZ-RMKNXTFCSA-N	0	0	178.300	3.453	10	0		AGAERN
C[C@]12CCCC[C@H]1[C@@]2(F)Cl	136330184	343979491	/nfs/dbraw/zinc/97/94/91/343979491.db2.gz	JDPWXKLKGJDIPM-CSMHCCOUSA-N	0	0	162.635	3.101	10	0		AGAERN
C=C/C(Cl)=C/c1ccccc1	136452755	343980967	/nfs/dbraw/zinc/98/09/67/343980967.db2.gz	ZATDPPAGKWQMST-NTMALXAHSA-N	0	0	164.635	3.452	10	0		AGAERN
c1ccc2c(c1)C[C@H]1CCC[C@H]21	136552397	343981353	/nfs/dbraw/zinc/98/13/53/343981353.db2.gz	DVEVRGUFLYCOQK-PWSUYJOCSA-N	0	0	158.244	3.126	10	0		AGAERN
C/C=C/C=C/COC(=O)OC(C)(C)C	136663241	343981358	/nfs/dbraw/zinc/98/13/58/343981358.db2.gz	YFKIKMCGEHQLAA-BSWSSELBSA-N	0	0	198.262	3.070	10	0		AGAERN
c1ccc2c(c1)C[C@H]1CCC[C@@H]21	136552479	343981382	/nfs/dbraw/zinc/98/13/82/343981382.db2.gz	DVEVRGUFLYCOQK-ZYHUDNBSSA-N	0	0	158.244	3.126	10	0		AGAERN
Fc1ccc([C@@H]2C=CCC2)cc1	136550289	343981390	/nfs/dbraw/zinc/98/13/90/343981390.db2.gz	FSRFOYNCOYUNMY-SECBINFHSA-N	0	0	162.207	3.259	10	0		AGAERN
C=C/C=C/c1ccccc1C	136572735	343981452	/nfs/dbraw/zinc/98/14/52/343981452.db2.gz	HPRUFLPIVCPZDK-XBXARRHUSA-N	0	0	144.217	3.194	10	0		AGAERN
Cc1cc(C2=CCCC2)ccc1O	136600761	343981570	/nfs/dbraw/zinc/98/15/70/343981570.db2.gz	IYVIPRGQYRHNOB-UHFFFAOYSA-N	0	0	174.243	3.268	10	0		AGAERN
c1ccc2c(c1)C[C@@H]1CCC[C@H]21	136552441	343981628	/nfs/dbraw/zinc/98/16/28/343981628.db2.gz	DVEVRGUFLYCOQK-JQWIXIFHSA-N	0	0	158.244	3.126	10	0		AGAERN
c1ccc2c(c1)C[C@@H]1CCC[C@@H]21	136552531	343981631	/nfs/dbraw/zinc/98/16/31/343981631.db2.gz	DVEVRGUFLYCOQK-CMPLNLGQSA-N	0	0	158.244	3.126	10	0		AGAERN
CC(C)=CCC/C(C)=C/CCCO	136674694	343982019	/nfs/dbraw/zinc/98/20/19/343982019.db2.gz	FBHDDQNBWXRPSP-XYOKQWHBSA-N	0	0	182.307	3.452	10	0		AGAERN
CCC1C[C@H](C)C[C@@H](C)C1	136913669	343982201	/nfs/dbraw/zinc/98/22/01/343982201.db2.gz	KWSDSCXAPPWVMQ-RKDXNWHRSA-N	0	0	140.270	3.469	10	0		AGAERN
F/C=C\c1ccc(Cl)cc1	136860299	343982216	/nfs/dbraw/zinc/98/22/16/343982216.db2.gz	WZHDQGLZKXJZTN-WAYWQWQTSA-N	0	0	156.587	3.280	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1NOC1CCCC1	136902986	343982264	/nfs/dbraw/zinc/98/22/64/343982264.db2.gz	ZQGDUYPTSRFQOC-PWSUYJOCSA-N	0	0	197.322	3.029	10	0		AGAERN
CCC1C[C@@H](C)C[C@H](C)C1	136913629	343982270	/nfs/dbraw/zinc/98/22/70/343982270.db2.gz	KWSDSCXAPPWVMQ-IUCAKERBSA-N	0	0	140.270	3.469	10	0		AGAERN
C/C=C/C=C/Cc1ccccc1	136789494	343982282	/nfs/dbraw/zinc/98/22/82/343982282.db2.gz	JSQZPUUCMYDLKO-WJPDYIDTSA-N	0	0	158.244	3.361	10	0		AGAERN
C(=C1CC1)C1CCCCC1	136903486	343982298	/nfs/dbraw/zinc/98/22/98/343982298.db2.gz	PYCNVWZUFQYOEJ-UHFFFAOYSA-N	0	0	136.238	3.287	10	0		AGAERN
C[C@H]1CCCC[C@H]1NOC1CCCC1	136903117	343982347	/nfs/dbraw/zinc/98/23/47/343982347.db2.gz	ZQGDUYPTSRFQOC-CMPLNLGQSA-N	0	0	197.322	3.029	10	0		AGAERN
C[C@H]1CCCC[C@@H]1NOC1CCCC1	136903033	343982357	/nfs/dbraw/zinc/98/23/57/343982357.db2.gz	ZQGDUYPTSRFQOC-JQWIXIFHSA-N	0	0	197.322	3.029	10	0		AGAERN
C[C@@H]1CCCC[C@H]1NOC1CCCC1	136903080	343982391	/nfs/dbraw/zinc/98/23/91/343982391.db2.gz	ZQGDUYPTSRFQOC-ZYHUDNBSSA-N	0	0	197.322	3.029	10	0		AGAERN
C1CCCC(NOC2CCCC2)CC1	136927902	343982729	/nfs/dbraw/zinc/98/27/29/343982729.db2.gz	KRFKHPFSRGSUAN-UHFFFAOYSA-N	0	0	197.322	3.173	10	0		AGAERN
CCCCCC=C=CC(=O)C(C)C	136961755	343982916	/nfs/dbraw/zinc/98/29/16/343982916.db2.gz	HKSZRJVQWNNVSF-UHFFFAOYSA-N	0	0	180.291	3.185	10	0		AGAERN
CCSc1cc2ccccc2[nH]1	136972405	343982947	/nfs/dbraw/zinc/98/29/47/343982947.db2.gz	YAMYNGYKAFZBTE-UHFFFAOYSA-N	0	0	177.272	3.280	10	0		AGAERN
CCCC/C=C/C1CC1	137323913	343984446	/nfs/dbraw/zinc/98/44/46/343984446.db2.gz	QAMUELDWLSZYFW-AATRIKPKSA-N	0	0	124.227	3.143	10	0		AGAERN
Cc1ccc2c(c1)CCC[C@@H]2C	137317851	343984451	/nfs/dbraw/zinc/98/44/51/343984451.db2.gz	KWSOSNULPSERHY-JTQLQIEISA-N	0	0	160.260	3.435	10	0		AGAERN
Cc1ccc2c(c1)CCC[C@H]2C	137317920	343984496	/nfs/dbraw/zinc/98/44/96/343984496.db2.gz	KWSOSNULPSERHY-SNVBAGLBSA-N	0	0	160.260	3.435	10	0		AGAERN
CC1(C)CC(CCO)CC(C)(C)C1	137289808	343984543	/nfs/dbraw/zinc/98/45/43/343984543.db2.gz	WXONXIOSNYEXNX-UHFFFAOYSA-N	0	0	184.323	3.221	10	0		AGAERN
Clc1ccnn1C1CCCCCC1	137312495	343984545	/nfs/dbraw/zinc/98/45/45/343984545.db2.gz	ZRZDVLCMQIMCBC-UHFFFAOYSA-N	0	0	198.697	3.432	10	0		AGAERN
Clc1ccnn1C1CCCCC1	137312436	343984699	/nfs/dbraw/zinc/98/46/99/343984699.db2.gz	NDMLXRGDFHPWOJ-UHFFFAOYSA-N	0	0	184.670	3.042	10	0		AGAERN
CC(C)[C@H](C)OCc1ccccc1	137434560	343985865	/nfs/dbraw/zinc/98/58/65/343985865.db2.gz	APAGHTYAYBKHDV-NSHDSACASA-N	0	0	178.275	3.248	10	0		AGAERN
FC(F)=C/C=C/c1ccccc1	137486730	343985931	/nfs/dbraw/zinc/98/59/31/343985931.db2.gz	RJMIJTCQUMTFSQ-QPJJXVBHSA-N	0	0	166.170	3.480	10	0		AGAERN
CC(C)=C=Cc1ccccc1	137456060	343986017	/nfs/dbraw/zinc/98/60/17/343986017.db2.gz	GHMPNKDOKJUJNO-UHFFFAOYSA-N	0	0	144.217	3.265	10	0		AGAERN
CC(C)[C@@H](C)OCc1ccccc1	137434493	343986101	/nfs/dbraw/zinc/98/61/01/343986101.db2.gz	APAGHTYAYBKHDV-LLVKDONJSA-N	0	0	178.275	3.248	10	0		AGAERN
C[C@@H]1C=CCCC=C[C@H]1C	137616292	343986271	/nfs/dbraw/zinc/98/62/71/343986271.db2.gz	SAOXWIPRWNIEIH-NXEZZACHSA-N	0	0	136.238	3.165	10	0		AGAERN
Cc1cccc(N)c1-c1ccccc1	137691561	343986278	/nfs/dbraw/zinc/98/62/78/343986278.db2.gz	MGYFFUDEODHNSA-UHFFFAOYSA-N	0	0	183.254	3.244	10	0		AGAERN
CC(=C\Cl)/C(C)=C/Cl	137649687	343986325	/nfs/dbraw/zinc/98/63/25/343986325.db2.gz	XXWWZHZKSRTYNF-GGWOSOGESA-N	0	0	151.036	3.272	10	0		AGAERN
COc1ccc(CC=C(C)C)cc1	137577879	343986451	/nfs/dbraw/zinc/98/64/51/343986451.db2.gz	LRTREECNIUHJFH-UHFFFAOYSA-N	0	0	176.259	3.204	10	0		AGAERN
C[C@H]1C=CCCC=C[C@@H]1C	137616373	343986488	/nfs/dbraw/zinc/98/64/88/343986488.db2.gz	SAOXWIPRWNIEIH-UWVGGRQHSA-N	0	0	136.238	3.165	10	0		AGAERN
C[C@@H]1C=CCCC=C[C@@H]1C	137616213	343986540	/nfs/dbraw/zinc/98/65/40/343986540.db2.gz	SAOXWIPRWNIEIH-AOOOYVTPSA-N	0	0	136.238	3.165	10	0		AGAERN
C=C/C=C(\C)c1ccccc1	137791341	343986731	/nfs/dbraw/zinc/98/67/31/343986731.db2.gz	HETLRQLNJZNYFU-JXMROGBWSA-N	0	0	144.217	3.276	10	0		AGAERN
Cc1c(Cl)ccc(F)c1Cl	137745751	343986816	/nfs/dbraw/zinc/98/68/16/343986816.db2.gz	QWZDJNUGWOAOHQ-UHFFFAOYSA-N	0	0	179.021	3.441	10	0		AGAERN
CCSC/C=C\c1ccccc1	137775151	343986889	/nfs/dbraw/zinc/98/68/89/343986889.db2.gz	HMTMMROZCGHPOZ-TWGQIWQCSA-N	0	0	178.300	3.453	10	0		AGAERN
C/C=C/[C@@H](C)c1ccccc1	137948932	343987200	/nfs/dbraw/zinc/98/72/00/343987200.db2.gz	RSNZJWXIEBZSTE-KFEJWOFMSA-N	0	0	146.233	3.366	10	0		AGAERN
C/C(C#N)=C\c1ccccc1Cl	137936179	343987249	/nfs/dbraw/zinc/98/72/49/343987249.db2.gz	ZTAIVUKDMMWMJT-SOFGYWHQSA-N	0	0	177.634	3.267	10	0		AGAERN
C/C=C/[C@H](C)c1ccccc1	137949031	343987273	/nfs/dbraw/zinc/98/72/73/343987273.db2.gz	RSNZJWXIEBZSTE-HTZNOQTFSA-N	0	0	146.233	3.366	10	0		AGAERN
CC1=C(C)CP(c2ccccc2)C1	137863102	343987336	/nfs/dbraw/zinc/98/73/36/343987336.db2.gz	YIEAKGKGKPJCAS-UHFFFAOYSA-N	0	0	190.226	3.144	10	0		AGAERN
COc1cccc([C@@H]2C=CCC2)c1	138012850	343987562	/nfs/dbraw/zinc/98/75/62/343987562.db2.gz	YQCVMPGFKJIHNE-SNVBAGLBSA-N	0	0	174.243	3.129	10	0		AGAERN
C=C/C=C(\CCCC)OCC	137986650	343987816	/nfs/dbraw/zinc/98/78/16/343987816.db2.gz	OKDAQBYMTLSARD-CSKARUKUSA-N	0	0	154.253	3.283	10	0		AGAERN
Fc1cccc2c(F)cccc12	138150505	343988013	/nfs/dbraw/zinc/98/80/13/343988013.db2.gz	NLXPZIRHSTXGTR-UHFFFAOYSA-N	0	0	164.154	3.118	10	0		AGAERN
C=Cc1ccc2ccccc2c1C=O	138253047	343988294	/nfs/dbraw/zinc/98/82/94/343988294.db2.gz	QAMVRQIZKGCYOX-UHFFFAOYSA-N	0	0	182.222	3.295	10	0		AGAERN
OCc1coc2ccc3ccccc3c12	138214668	343988460	/nfs/dbraw/zinc/98/84/60/343988460.db2.gz	YECRMNOAKNABPP-UHFFFAOYSA-N	0	0	198.221	3.078	10	0		AGAERN
CCCOc1ccc2occc2c1	138187703	343988547	/nfs/dbraw/zinc/98/85/47/343988547.db2.gz	LJGPDTLABZFSGA-UHFFFAOYSA-N	0	0	176.215	3.222	10	0		AGAERN
CCCOc1cccc2ccoc12	138178021	343988676	/nfs/dbraw/zinc/98/86/76/343988676.db2.gz	LEZDZQIXDKJJCL-UHFFFAOYSA-N	0	0	176.215	3.222	10	0		AGAERN
c1ccc2c(c1)[nH]c1ccsc12	138414015	343988753	/nfs/dbraw/zinc/98/87/53/343988753.db2.gz	OSHOYFUNCSYTDD-UHFFFAOYSA-N	0	0	173.240	3.383	10	0		AGAERN
CNc1ccc(C(F)(F)F)cc1C	138455485	343988946	/nfs/dbraw/zinc/98/89/46/343988946.db2.gz	XNFHUBLEDUZDHL-UHFFFAOYSA-N	0	0	189.180	3.056	10	0		AGAERN
Cc1ccc(Cl)c(C)c1C	138650375	343989759	/nfs/dbraw/zinc/98/97/59/343989759.db2.gz	UPLGVQNVJNEYEO-UHFFFAOYSA-N	0	0	154.640	3.265	10	0		AGAERN
CCC(C)(C)C1=CCC=C1	138646757	343989911	/nfs/dbraw/zinc/98/99/11/343989911.db2.gz	QANJNHSGIYMRIS-UHFFFAOYSA-N	0	0	135.230	3.093	10	0		AGAERN
O=Cc1cc(Cl)c2ccccc2c1	138926380	343991385	/nfs/dbraw/zinc/99/13/85/343991385.db2.gz	WOMGPVQGKCPWSQ-UHFFFAOYSA-N	0	0	190.629	3.306	10	0		AGAERN
CCCCc1ccc2c(c1)C(=O)CC2	138893633	343991464	/nfs/dbraw/zinc/99/14/64/343991464.db2.gz	DXSJTDBHHIGQQM-UHFFFAOYSA-N	0	0	188.270	3.158	10	0		AGAERN
C/C=C\[C@H](C)c1ccccc1	138939396	343991488	/nfs/dbraw/zinc/99/14/88/343991488.db2.gz	RSNZJWXIEBZSTE-NXSJDDFASA-N	0	0	146.233	3.366	10	0		AGAERN
CCC1(CC)C=Nc2ccccc21	138890852	343991726	/nfs/dbraw/zinc/99/17/26/343991726.db2.gz	PEQACLUXOXCYBB-UHFFFAOYSA-N	0	0	173.259	3.460	10	0		AGAERN
Cc1cccc2c1SCCC2	138948581	343991749	/nfs/dbraw/zinc/99/17/49/343991749.db2.gz	PUACVKGUUGTWHW-UHFFFAOYSA-N	0	0	164.273	3.033	10	0		AGAERN
CC[C@H](C)c1ccc(C)cc1O	138979334	343992084	/nfs/dbraw/zinc/99/20/84/343992084.db2.gz	ZBAXSFRZNDZTMT-VIFPVBQESA-N	0	0	164.248	3.214	10	0		AGAERN
CC[C@@H](C)c1ccc(C)cc1O	138979237	343992146	/nfs/dbraw/zinc/99/21/46/343992146.db2.gz	ZBAXSFRZNDZTMT-SECBINFHSA-N	0	0	164.248	3.214	10	0		AGAERN
FC1=C(F)C(F)(F)C(Cl)=C1F	139143852	343992956	/nfs/dbraw/zinc/99/29/56/343992956.db2.gz	HKBUPWDNIQAYRT-UHFFFAOYSA-N	0	0	190.498	3.206	10	0		AGAERN
Cc1cccc2cccc(F)c12	139207777	343993599	/nfs/dbraw/zinc/99/35/99/343993599.db2.gz	MQIILWFOPBQLHD-UHFFFAOYSA-N	0	0	160.191	3.287	10	0		AGAERN
Cc1cc(C(F)(F)F)c(C)cc1F	139261556	343993789	/nfs/dbraw/zinc/99/37/89/343993789.db2.gz	QFWDXRRYYGFPPO-UHFFFAOYSA-N	0	0	192.155	3.461	10	0		AGAERN
Fc1ccc2ccc(F)cc2c1	139352508	343994079	/nfs/dbraw/zinc/99/40/79/343994079.db2.gz	YJERWJLXBJASQM-UHFFFAOYSA-N	0	0	164.154	3.118	10	0		AGAERN
Fc1cc2ccccc2cc1F	139352381	343994263	/nfs/dbraw/zinc/99/42/63/343994263.db2.gz	QXXPHLUVYXNNLF-UHFFFAOYSA-N	0	0	164.154	3.118	10	0		AGAERN
CCOc1c(Cl)ccc(F)c1F	139338560	343994375	/nfs/dbraw/zinc/99/43/75/343994375.db2.gz	CYSAKIUCAPKLTK-UHFFFAOYSA-N	0	0	192.592	3.017	10	0		AGAERN
CCc1ccc2c(c1)CCCCC2=O	139311157	343994537	/nfs/dbraw/zinc/99/45/37/343994537.db2.gz	VYPGCKXOLPVJGS-UHFFFAOYSA-N	0	0	188.270	3.158	10	0		AGAERN
Cc1cc(F)c(Cl)cc1C	139460936	343994802	/nfs/dbraw/zinc/99/48/02/343994802.db2.gz	QQUAVMQWIBHZTL-UHFFFAOYSA-N	0	0	158.603	3.096	10	0		AGAERN
Cc1cc(F)c(C(F)(F)F)cc1C	139461071	343994942	/nfs/dbraw/zinc/99/49/42/343994942.db2.gz	QSUFRONFAAERTD-UHFFFAOYSA-N	0	0	192.155	3.461	10	0		AGAERN
C[C@@H](c1ccccn1)C(C)(C)C	139892245	343996934	/nfs/dbraw/zinc/99/69/34/343996934.db2.gz	GBNAEYAGUSHDMW-VIFPVBQESA-N	0	0	163.264	3.231	10	0		AGAERN
C=CSC1CCCCC1	140018663	343997222	/nfs/dbraw/zinc/99/72/22/343997222.db2.gz	WZCMJGCQGDDUID-UHFFFAOYSA-N	0	0	142.267	3.196	10	0		AGAERN
CCOc1c(F)cc(F)cc1Cl	140125336	343998418	/nfs/dbraw/zinc/99/84/18/343998418.db2.gz	QFDYZUXOSQRBEV-UHFFFAOYSA-N	0	0	192.592	3.017	10	0		AGAERN
CNc1cnccc1-c1ccccc1C	140175352	343998604	/nfs/dbraw/zinc/99/86/04/343998604.db2.gz	DETHXAUWBOLNDM-UHFFFAOYSA-N	0	0	198.269	3.099	10	0		AGAERN
CCC(=O)c1c(C)cccc1Cl	140326587	343999598	/nfs/dbraw/zinc/99/95/98/343999598.db2.gz	KZMGRXHQECJOEN-UHFFFAOYSA-N	0	0	182.650	3.241	10	0		AGAERN
Fc1ccc(-c2coc(Cl)n2)cc1	140611861	344000952	/nfs/dbraw/zinc/00/09/52/344000952.db2.gz	PTLKVVXJXYFUCK-UHFFFAOYSA-N	0	0	197.596	3.134	10	0		AGAERN
C=C/C=C/c1cccc(C)c1	140615284	344000974	/nfs/dbraw/zinc/00/09/74/344000974.db2.gz	IFFZIWFIIZSRQE-QPJJXVBHSA-N	0	0	144.217	3.194	10	0		AGAERN
C1=CCC(CC2=CC=CC2)=C1	140770755	344001754	/nfs/dbraw/zinc/00/17/54/344001754.db2.gz	MNZVDLKGKIWKLM-UHFFFAOYSA-N	0	0	144.217	3.149	10	0		AGAERN
CC(C)(F)CCc1ccccc1	140780333	344001774	/nfs/dbraw/zinc/00/17/74/344001774.db2.gz	UKYNIALQZVMBRK-UHFFFAOYSA-N	0	0	166.239	3.367	10	0		AGAERN
C[C@H]1CCCC[C@@]1(C)Cl	140993797	344003201	/nfs/dbraw/zinc/00/32/01/344003201.db2.gz	NZSHXDCQEJXZNR-JGVFFNPUSA-N	0	0	146.661	3.194	10	0		AGAERN
Cc1c(F)c(F)c(F)c(Cl)c1F	141140325	344003770	/nfs/dbraw/zinc/00/37/70/344003770.db2.gz	IXRQNZAJLHWMQQ-UHFFFAOYSA-N	0	0	198.546	3.205	10	0		AGAERN
CC1=C(C)CC(CCCCO)=CC1	141154141	344003971	/nfs/dbraw/zinc/00/39/71/344003971.db2.gz	DSCOSIFBWSAOKG-UHFFFAOYSA-N	0	0	180.291	3.206	10	0		AGAERN
Cc1nc2c(s1)Cc1ccccc1-2	141186918	344003983	/nfs/dbraw/zinc/00/39/83/344003983.db2.gz	CDZVBMMIAJXFLG-UHFFFAOYSA-N	0	0	187.267	3.023	10	0		AGAERN
C=CCc1ccc(OC)c(Cl)c1	141155289	344004043	/nfs/dbraw/zinc/00/40/43/344004043.db2.gz	QJVXOKHDVXPIBP-UHFFFAOYSA-N	0	0	182.650	3.077	10	0		AGAERN
Cc1ccc2sc(Cl)cc2n1	141241535	344004393	/nfs/dbraw/zinc/00/43/93/344004393.db2.gz	ZTLZXWJIETXLKY-UHFFFAOYSA-N	0	0	183.663	3.258	10	0		AGAERN
C/C(=C\CO)c1ccc2ccccc2c1	141233022	344004492	/nfs/dbraw/zinc/00/44/92/344004492.db2.gz	QWNDEIJGLSUZPE-DHZHZOJOSA-N	0	0	198.265	3.235	10	0		AGAERN
C=Cc1cc(C)ccc1Br	141230352	344004632	/nfs/dbraw/zinc/00/46/32/344004632.db2.gz	CNGNLJVFGAFUSO-UHFFFAOYSA-N	0	0	197.075	3.401	10	0		AGAERN
Cc1cc(C)c(O)c(C(F)(F)F)c1	141360803	344005087	/nfs/dbraw/zinc/00/50/87/344005087.db2.gz	URWOTAMNFCMPOV-UHFFFAOYSA-N	0	0	190.164	3.028	10	0		AGAERN
Cc1ccn(-c2ccc(Cl)cc2)c1	141322142	344005098	/nfs/dbraw/zinc/00/50/98/344005098.db2.gz	URXIRARQGFHDGR-UHFFFAOYSA-N	0	0	191.661	3.439	10	0		AGAERN
Cc1cnc2[nH]c(C(C)(C)C)cc2c1	141337570	344005255	/nfs/dbraw/zinc/00/52/55/344005255.db2.gz	KZGJJVDECONXHU-UHFFFAOYSA-N	0	0	188.274	3.169	10	0		AGAERN
CSc1c(C)cc(C(C)=O)cc1C	141359580	344005344	/nfs/dbraw/zinc/00/53/44/344005344.db2.gz	CJIGCYXQXYAUHI-UHFFFAOYSA-N	0	0	194.299	3.228	10	0		AGAERN
Cc1cc(C(F)(F)F)cc(C)c1O	141360581	344005478	/nfs/dbraw/zinc/00/54/78/344005478.db2.gz	ATYOPLGADDJELP-UHFFFAOYSA-N	0	0	190.164	3.028	10	0		AGAERN
CCc1c(F)cc(F)cc1Cl	141517982	344006235	/nfs/dbraw/zinc/00/62/35/344006235.db2.gz	IEFCBFNHDYXHGE-UHFFFAOYSA-N	0	0	176.593	3.181	10	0		AGAERN
CCc1c(O)cc(Cl)cc1Cl	141555003	344006697	/nfs/dbraw/zinc/00/66/97/344006697.db2.gz	QFUSOXHDEXCFEH-UHFFFAOYSA-N	0	0	191.057	3.261	10	0		AGAERN
FCc1cc(F)c(F)c(Cl)c1	141755052	344007836	/nfs/dbraw/zinc/00/78/36/344007836.db2.gz	JJIXQKKYZGGMEQ-UHFFFAOYSA-N	0	0	180.556	3.088	10	0		AGAERN
Cc1ccc(-c2coc(=S)[nH]2)cc1	141787756	344008151	/nfs/dbraw/zinc/00/81/51/344008151.db2.gz	XQASKZUEBPUTGV-UHFFFAOYSA-N	0	0	191.255	3.313	10	0		AGAERN
Fc1cccc2c(C3CC3)c[nH]c12	141816001	344008246	/nfs/dbraw/zinc/00/82/46/344008246.db2.gz	VCYNIYGTQRMOCV-UHFFFAOYSA-N	0	0	175.206	3.184	10	0		AGAERN
CC(C)(C)OC(=O)O[C@H]1C=CCCC1	141773867	344008312	/nfs/dbraw/zinc/00/83/12/344008312.db2.gz	OWTGXKHEHADFAK-VIFPVBQESA-N	0	0	198.262	3.047	10	0		AGAERN
Cc1ccc2[nH]cc(C3CC3)c2c1	141776035	344008328	/nfs/dbraw/zinc/00/83/28/344008328.db2.gz	XFHYNFUAZKTQJU-UHFFFAOYSA-N	0	0	171.243	3.354	10	0		AGAERN
CC(C)(C)OC(=O)O[C@@H]1C=CCCC1	141774095	344008436	/nfs/dbraw/zinc/00/84/36/344008436.db2.gz	OWTGXKHEHADFAK-SECBINFHSA-N	0	0	198.262	3.047	10	0		AGAERN
CC[C@@H](C)CSCC(C)C	141861954	344008647	/nfs/dbraw/zinc/00/86/47/344008647.db2.gz	GSUORCVRERSWAY-SECBINFHSA-N	0	0	160.326	3.422	10	0		AGAERN
CC[C@H](C)CSCC(C)C	141862186	344008788	/nfs/dbraw/zinc/00/87/88/344008788.db2.gz	GSUORCVRERSWAY-VIFPVBQESA-N	0	0	160.326	3.422	10	0		AGAERN
CC1(C)CC(C)(C)c2cnccc21	141872014	344008909	/nfs/dbraw/zinc/00/89/09/344008909.db2.gz	JCVYYBMHLIETSL-UHFFFAOYSA-N	0	0	175.275	3.041	10	0		AGAERN
CC(C)C(=O)c1cc2ccccc2[nH]1	141977812	344009079	/nfs/dbraw/zinc/00/90/79/344009079.db2.gz	PWLKTHNYWDKZRW-UHFFFAOYSA-N	0	0	187.242	3.007	10	0		AGAERN
O=Cc1coc2c1ccc1ccccc12	141962465	344009328	/nfs/dbraw/zinc/00/93/28/344009328.db2.gz	FXPDHBMJNJWWBY-UHFFFAOYSA-N	0	0	196.205	3.399	10	0		AGAERN
C/C=C\CCOCc1ccccc1	142052683	344009826	/nfs/dbraw/zinc/00/98/26/344009826.db2.gz	PQJXGJWVTQHJNA-IHWYPQMZSA-N	0	0	176.259	3.169	10	0		AGAERN
Cc1ccc(Cl)c(F)c1C	142078453	344009880	/nfs/dbraw/zinc/00/98/80/344009880.db2.gz	HFXTZDZHTHRNOL-UHFFFAOYSA-N	0	0	158.603	3.096	10	0		AGAERN
O=Cc1cccc2ccc(Cl)cc12	142059727	344009905	/nfs/dbraw/zinc/00/99/05/344009905.db2.gz	HQBCFROPFWQZIP-UHFFFAOYSA-N	0	0	190.629	3.306	10	0		AGAERN
O=C1CCc2cc3ccccc3cc2O1	142108123	344010170	/nfs/dbraw/zinc/01/01/70/344010170.db2.gz	JXACCPPRKJLNCJ-UHFFFAOYSA-N	0	0	198.221	3.174	10	0		AGAERN
OCc1coc2c1ccc1ccccc12	142295514	344011487	/nfs/dbraw/zinc/01/14/87/344011487.db2.gz	GRJIHSODOVDQJG-UHFFFAOYSA-N	0	0	198.221	3.078	10	0		AGAERN
O=Cc1coc2ccc3ccccc3c12	142295113	344011493	/nfs/dbraw/zinc/01/14/93/344011493.db2.gz	ILXXIRRRLVDDJH-UHFFFAOYSA-N	0	0	196.205	3.399	10	0		AGAERN
Cc1cc(F)c(C)c(C(F)F)c1	142314880	344011979	/nfs/dbraw/zinc/01/19/79/344011979.db2.gz	HPZMMVYTWVEULW-UHFFFAOYSA-N	0	0	174.165	3.380	10	0		AGAERN
Cc1cc(F)c(C)c(OC(F)F)c1	142444609	344012403	/nfs/dbraw/zinc/01/24/03/344012403.db2.gz	BUFGSPLTTAOAOW-UHFFFAOYSA-N	0	0	190.164	3.044	10	0		AGAERN
Fc1ccc(Cc2ccco2)cc1	142485973	344012998	/nfs/dbraw/zinc/01/29/98/344012998.db2.gz	XWSKEDSFVPHVGO-UHFFFAOYSA-N	0	0	176.190	3.010	10	0		AGAERN
CC/C=C/CCc1ccco1	142514789	344013020	/nfs/dbraw/zinc/01/30/20/344013020.db2.gz	CZQJHZPPDWURHO-ONEGZZNKSA-N	0	0	150.221	3.178	10	0		AGAERN
CC(C)=C1C=CCC[C@H]1C	142495721	344013048	/nfs/dbraw/zinc/01/30/48/344013048.db2.gz	OLYLHMZPKOUYEM-SECBINFHSA-N	0	0	136.238	3.309	10	0		AGAERN
C/C(=C\CO)c1cccc2ccccc12	142567453	344013280	/nfs/dbraw/zinc/01/32/80/344013280.db2.gz	HKNPUYNYSSXYCZ-PKNBQFBNSA-N	0	0	198.265	3.235	10	0		AGAERN
CC1=CC[C@@H](C)[C@@H]1C(C)C	142632604	344013816	/nfs/dbraw/zinc/01/38/16/344013816.db2.gz	XJQGJJBNSPFPDI-NXEZZACHSA-N	0	0	138.254	3.245	10	0		AGAERN
CC1=CC[C@H](C)[C@@H]1C(C)C	142632824	344013820	/nfs/dbraw/zinc/01/38/20/344013820.db2.gz	XJQGJJBNSPFPDI-VHSXEESVSA-N	0	0	138.254	3.245	10	0		AGAERN
CC1=CC[C@@H](C)[C@H]1C(C)C	142632182	344013898	/nfs/dbraw/zinc/01/38/98/344013898.db2.gz	XJQGJJBNSPFPDI-ZJUUUORDSA-N	0	0	138.254	3.245	10	0		AGAERN
CC1=CC[C@H](C)[C@H]1C(C)C	142632398	344014100	/nfs/dbraw/zinc/01/41/00/344014100.db2.gz	XJQGJJBNSPFPDI-UWVGGRQHSA-N	0	0	138.254	3.245	10	0		AGAERN
CC(C)[C@H]1Nc2ccccc2S1	142714183	344014271	/nfs/dbraw/zinc/01/42/71/344014271.db2.gz	DZOKNDQGZNYCSI-JTQLQIEISA-N	0	0	179.288	3.186	10	0		AGAERN
CC(C)[C@@H]1Nc2ccccc2S1	142713963	344014372	/nfs/dbraw/zinc/01/43/72/344014372.db2.gz	DZOKNDQGZNYCSI-SNVBAGLBSA-N	0	0	179.288	3.186	10	0		AGAERN
O=C1CCc2c(cccc2C2CC2)N1	142823551	344015284	/nfs/dbraw/zinc/01/52/84/344015284.db2.gz	LURHWPLTAZZNFW-UHFFFAOYSA-N	0	0	187.242	3.098	10	0		AGAERN
CC(=O)[C@@H]1CCC[C@@H](C(C)C)C1	142940868	344015673	/nfs/dbraw/zinc/01/56/73/344015673.db2.gz	LARHCMQPMZMLBJ-GHMZBOCLSA-N	0	0	168.280	3.038	10	0		AGAERN
FCc1cc(F)c(F)cc1Cl	142954463	344015631	/nfs/dbraw/zinc/01/56/31/344015631.db2.gz	NNGCSBCZUCKCEN-UHFFFAOYSA-N	0	0	180.556	3.088	10	0		AGAERN
CC(=O)[C@H]1CCC[C@@H](C(C)C)C1	142940435	344015757	/nfs/dbraw/zinc/01/57/57/344015757.db2.gz	LARHCMQPMZMLBJ-MNOVXSKESA-N	0	0	168.280	3.038	10	0		AGAERN
Clc1nccnc1C1CCCCC1	142899395	344015805	/nfs/dbraw/zinc/01/58/05/344015805.db2.gz	LRJXAKWUXQCQGR-UHFFFAOYSA-N	0	0	196.681	3.178	10	0		AGAERN
CC(=O)[C@@H]1CCC[C@H](C(C)C)C1	142941105	344015851	/nfs/dbraw/zinc/01/58/51/344015851.db2.gz	LARHCMQPMZMLBJ-WDEREUQCSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1ccc2ccc(O)c(C)c2c1	142966880	344016152	/nfs/dbraw/zinc/01/61/52/344016152.db2.gz	OTIQPCSYHDMPNT-UHFFFAOYSA-N	0	0	172.227	3.162	10	0		AGAERN
C/C(Br)=C/c1ccccc1	143195160	344017279	/nfs/dbraw/zinc/01/72/79/344017279.db2.gz	KKSKXOVFUCIEHH-FPLPWBNLSA-N	0	0	197.075	3.442	10	0		AGAERN
c1ccc2nc(-c3ccoc3)ccc2c1	143248766	344017688	/nfs/dbraw/zinc/01/76/88/344017688.db2.gz	YYRJQKMHJHWCEM-UHFFFAOYSA-N	0	0	195.221	3.495	10	0		AGAERN
CC1(C)CCSc2cccc(O)c21	143278210	344017767	/nfs/dbraw/zinc/01/77/67/344017767.db2.gz	XHQBPMQCSFKDKX-UHFFFAOYSA-N	0	0	194.299	3.166	10	0		AGAERN
CC(C)(C)[C@H]1OCc2ccc(O)cc21	143336912	344018359	/nfs/dbraw/zinc/01/83/59/344018359.db2.gz	JAPDYYGHMBSWNY-NSHDSACASA-N	0	0	192.258	3.010	10	0		AGAERN
CC(C)(C)[C@@H]1OCc2ccc(O)cc21	143336710	344018448	/nfs/dbraw/zinc/01/84/48/344018448.db2.gz	JAPDYYGHMBSWNY-LLVKDONJSA-N	0	0	192.258	3.010	10	0		AGAERN
Clc1cc(Cl)nc(C2CC2)c1	143406773	344018785	/nfs/dbraw/zinc/01/87/85/344018785.db2.gz	LFGYUCMIVKCMKI-UHFFFAOYSA-N	0	0	188.057	3.266	10	0		AGAERN
CC(C)(C)n1ccsc1=S	143467793	344019492	/nfs/dbraw/zinc/01/94/92/344019492.db2.gz	BBKQYMIISCJNOW-UHFFFAOYSA-N	0	0	173.306	3.034	10	0		AGAERN
COCCCCCCCCCOC	143485676	344019563	/nfs/dbraw/zinc/01/95/63/344019563.db2.gz	GXGHXTUSAJHVBB-UHFFFAOYSA-N	0	0	188.311	3.010	10	0		AGAERN
Cc1c(C=O)ccc(Cl)c1Cl	143550736	344019999	/nfs/dbraw/zinc/01/99/99/344019999.db2.gz	ISWLVQHJRCYEOH-UHFFFAOYSA-N	0	0	189.041	3.114	10	0		AGAERN
OCc1cccc2oc3ccccc3c12	143665001	344021158	/nfs/dbraw/zinc/02/11/58/344021158.db2.gz	QCMJNPCBOOXNRR-UHFFFAOYSA-N	0	0	198.221	3.078	10	0		AGAERN
C=C/C=C\CCc1ccccc1	143695531	344021482	/nfs/dbraw/zinc/02/14/82/344021482.db2.gz	IXBHYZXSUSMOPF-ARJAWSKDSA-N	0	0	158.244	3.361	10	0		AGAERN
O=C1C[C@H]2CC[C@@H]1C=C2c1ccccc1	143766759	344022136	/nfs/dbraw/zinc/02/21/36/344022136.db2.gz	NGFMXHCCPBGFRE-VXGBXAGGSA-N	0	0	198.265	3.069	10	0		AGAERN
C=CCSc1ccnc(Cl)c1	143834219	344022508	/nfs/dbraw/zinc/02/25/08/344022508.db2.gz	WGDXYAFEJOGWIN-UHFFFAOYSA-N	0	0	185.679	3.013	10	0		AGAERN
Nc1ccsc1CC1CCCCC1	143868531	344022607	/nfs/dbraw/zinc/02/26/07/344022607.db2.gz	RKRJDZNKGHHZHS-UHFFFAOYSA-N	0	0	195.331	3.453	10	0		AGAERN
CCc1c(C)ccc(C)c1F	143876410	344023076	/nfs/dbraw/zinc/02/30/76/344023076.db2.gz	AMBTVLZLYLEZLU-UHFFFAOYSA-N	0	0	152.212	3.005	10	0		AGAERN
CCCc1c(CC)cc2ccccn12	143990948	344023230	/nfs/dbraw/zinc/02/32/30/344023230.db2.gz	PQDHQZVMUILIFC-UHFFFAOYSA-N	0	0	187.286	3.454	10	0		AGAERN
Cc1ccc(C(=O)C(C)C)c(Cl)c1	143973783	344023237	/nfs/dbraw/zinc/02/32/37/344023237.db2.gz	MZHXZKGXFQHRBI-UHFFFAOYSA-N	0	0	196.677	3.487	10	0		AGAERN
Cc1cc(F)cc(OC(F)(F)F)c1	143974329	344023578	/nfs/dbraw/zinc/02/35/78/344023578.db2.gz	AYOFURZQRWLQDI-UHFFFAOYSA-N	0	0	194.127	3.033	10	0		AGAERN
Cc1ccc(C)c(C(F)(F)F)c1F	144058617	344024170	/nfs/dbraw/zinc/02/41/70/344024170.db2.gz	XUQOLJOKGYXAMW-UHFFFAOYSA-N	0	0	192.155	3.461	10	0		AGAERN
Cc1cc(Cl)cc2ncccc12	144096668	344024393	/nfs/dbraw/zinc/02/43/93/344024393.db2.gz	IETUFOBKNLDTNL-UHFFFAOYSA-N	0	0	177.634	3.197	10	0		AGAERN
CC(C)SCc1ccccc1F	144267621	344025668	/nfs/dbraw/zinc/02/56/68/344025668.db2.gz	GOCAHCDLAORLQV-UHFFFAOYSA-N	0	0	184.279	3.467	10	0		AGAERN
CCCCc1ccc(Cl)cc1O	144285090	344025861	/nfs/dbraw/zinc/02/58/61/344025861.db2.gz	DXEWSERTPSKVEP-UHFFFAOYSA-N	0	0	184.666	3.388	10	0		AGAERN
Cc1ncccc1C1=CCCCC1	144309366	344026323	/nfs/dbraw/zinc/02/63/23/344026323.db2.gz	FZBAYBSHCCQREM-UHFFFAOYSA-N	0	0	173.259	3.347	10	0		AGAERN
CCC[C@@H](C(=O)OC)C1CCCCC1	144391388	344026511	/nfs/dbraw/zinc/02/65/11/344026511.db2.gz	RVWVBNIKIUGUQE-LLVKDONJSA-N	0	0	198.306	3.156	10	0		AGAERN
Cc1c(Cl)cc(C=O)cc1Cl	144371927	344026684	/nfs/dbraw/zinc/02/66/84/344026684.db2.gz	UNBMICVOUHLMAX-UHFFFAOYSA-N	0	0	189.041	3.114	10	0		AGAERN
CCC[C@H](C(=O)OC)C1CCCCC1	144391167	344026725	/nfs/dbraw/zinc/02/67/25/344026725.db2.gz	RVWVBNIKIUGUQE-NSHDSACASA-N	0	0	198.306	3.156	10	0		AGAERN
Cc1nc(C(C)(C)C)c(C)s1	144438565	344027075	/nfs/dbraw/zinc/02/70/75/344027075.db2.gz	ANYMEUYQUSMDBN-UHFFFAOYSA-N	0	0	169.293	3.057	10	0		AGAERN
C=COCC1CCCCCC1	144460621	344027131	/nfs/dbraw/zinc/02/71/31/344027131.db2.gz	GSSIVFDNZNETBN-UHFFFAOYSA-N	0	0	154.253	3.117	10	0		AGAERN
Oc1ccc(Cl)cc1C12CC(C1)C2	144544034	344027360	/nfs/dbraw/zinc/02/73/60/344027360.db2.gz	PYYRVVABIGHDST-UHFFFAOYSA-N	0	0	194.661	3.097	10	0		AGAERN
C/C=C1\C=CCCCC1	144531920	344027537	/nfs/dbraw/zinc/02/75/37/344027537.db2.gz	SYIBJHROSBOWGC-XNWCZRBMSA-N	0	0	122.211	3.063	10	0		AGAERN
CC(C)c1cnc2ccc(C=O)cc2c1	144547826	344027728	/nfs/dbraw/zinc/02/77/28/344027728.db2.gz	XCWORZONUXZWJV-UHFFFAOYSA-N	0	0	199.253	3.171	10	0		AGAERN
Oc1cc(F)ccc1-c1ccsc1	144605646	344027853	/nfs/dbraw/zinc/02/78/53/344027853.db2.gz	QPKZBXHCLQQODT-UHFFFAOYSA-N	0	0	194.230	3.260	10	0		AGAERN
CC(=O)[C@@H]1CC[C@@H](C)c2ccccc21	144564102	344027870	/nfs/dbraw/zinc/02/78/70/344027870.db2.gz	KQWQEEWQYIJNCC-SKDRFNHKSA-N	0	0	188.270	3.257	10	0		AGAERN
Cc1ccccc1[C@@]1(C)CCCO1	144624355	344027875	/nfs/dbraw/zinc/02/78/75/344027875.db2.gz	KTUCYHKJRYGODA-GFCCVEGCSA-N	0	0	176.259	3.021	10	0		AGAERN
CC(=O)[C@H]1CC[C@@H](C)c2ccccc21	144563703	344027917	/nfs/dbraw/zinc/02/79/17/344027917.db2.gz	KQWQEEWQYIJNCC-BXKDBHETSA-N	0	0	188.270	3.257	10	0		AGAERN
CC(=O)[C@H]1CC[C@H](C)c2ccccc21	144563900	344027970	/nfs/dbraw/zinc/02/79/70/344027970.db2.gz	KQWQEEWQYIJNCC-JOYOIKCWSA-N	0	0	188.270	3.257	10	0		AGAERN
CCc1cc(C)c(F)cc1C	144590234	344027993	/nfs/dbraw/zinc/02/79/93/344027993.db2.gz	FMOVXGRDWQNNNU-UHFFFAOYSA-N	0	0	152.212	3.005	10	0		AGAERN
Cc1ccccc1[C@]1(C)CCCO1	144624167	344028015	/nfs/dbraw/zinc/02/80/15/344028015.db2.gz	KTUCYHKJRYGODA-LBPRGKRZSA-N	0	0	176.259	3.021	10	0		AGAERN
CC(=O)[C@@H]1CC[C@H](C)c2ccccc21	144564306	344028101	/nfs/dbraw/zinc/02/81/01/344028101.db2.gz	KQWQEEWQYIJNCC-CABZTGNLSA-N	0	0	188.270	3.257	10	0		AGAERN
Oc1c(F)cccc1-c1ccsc1	144599668	344028198	/nfs/dbraw/zinc/02/81/98/344028198.db2.gz	YXPKRVGILVZYGL-UHFFFAOYSA-N	0	0	194.230	3.260	10	0		AGAERN
CC(=O)/C(F)=C/c1ccc(Cl)cc1	144648047	344028443	/nfs/dbraw/zinc/02/84/43/344028443.db2.gz	CLWXEGOLWIZYKP-POHAHGRESA-N	0	0	198.624	3.239	10	0		AGAERN
Cc1ccc2cccc(F)c2c1	144664878	344028544	/nfs/dbraw/zinc/02/85/44/344028544.db2.gz	MXEHNHJMIYFWGI-UHFFFAOYSA-N	0	0	160.191	3.287	10	0		AGAERN
C[C@H](Nc1ccccc1)C(F)(F)F	144811132	344029443	/nfs/dbraw/zinc/02/94/43/344029443.db2.gz	LSLVGADFPKPIJO-ZETCQYMHSA-N	0	0	189.180	3.049	10	0		AGAERN
C[C@@H](Nc1ccccc1)C(F)(F)F	144811267	344029474	/nfs/dbraw/zinc/02/94/74/344029474.db2.gz	LSLVGADFPKPIJO-SSDOTTSWSA-N	0	0	189.180	3.049	10	0		AGAERN
CCOc1c(F)ccc(C)c1Cl	144865207	344029856	/nfs/dbraw/zinc/02/98/56/344029856.db2.gz	WRAVVNIHCGIYGU-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
Cc1nc(-c2cccs2)c(C)s1	144885413	344029909	/nfs/dbraw/zinc/02/99/09/344029909.db2.gz	SKVVLCXLQLJNCZ-UHFFFAOYSA-N	0	0	195.312	3.488	10	0		AGAERN
Oc1ccc2c(c1)C[C@@H]1CCCC[C@H]21	144946837	344030245	/nfs/dbraw/zinc/03/02/45/344030245.db2.gz	NSCCCRCGJBJLOR-CABZTGNLSA-N	0	0	188.270	3.222	10	0		AGAERN
Oc1ccc2c(c1)C[C@H]1CCCC[C@@H]21	144946224	344030276	/nfs/dbraw/zinc/03/02/76/344030276.db2.gz	NSCCCRCGJBJLOR-BXKDBHETSA-N	0	0	188.270	3.222	10	0		AGAERN
Oc1ccc2c(c1)C[C@H]1CCCC[C@H]21	144946436	344030283	/nfs/dbraw/zinc/03/02/83/344030283.db2.gz	NSCCCRCGJBJLOR-SKDRFNHKSA-N	0	0	188.270	3.222	10	0		AGAERN
CCc1cc2cc(C)ccc2[nH]1	144974828	344030351	/nfs/dbraw/zinc/03/03/51/344030351.db2.gz	VKCHXTVZYKMEIR-UHFFFAOYSA-N	0	0	159.232	3.039	10	0		AGAERN
Oc1ccc2c(c1)C[C@@H]1CCCC[C@@H]21	144946641	344030391	/nfs/dbraw/zinc/03/03/91/344030391.db2.gz	NSCCCRCGJBJLOR-JOYOIKCWSA-N	0	0	188.270	3.222	10	0		AGAERN
CC(C)C[C@@H]1CNc2ccccc21	145075508	344030659	/nfs/dbraw/zinc/03/06/59/344030659.db2.gz	PHLIBAAKZUASIU-SNVBAGLBSA-N	0	0	175.275	3.242	10	0		AGAERN
CC(C)C[C@H]1CNc2ccccc21	145075729	344030845	/nfs/dbraw/zinc/03/08/45/344030845.db2.gz	PHLIBAAKZUASIU-JTQLQIEISA-N	0	0	175.275	3.242	10	0		AGAERN
CC(C)c1cnc(NC(C)(C)C)s1	145207663	344031705	/nfs/dbraw/zinc/03/17/05/344031705.db2.gz	OSDOSYZAFKUIJH-UHFFFAOYSA-N	0	0	198.335	3.477	10	0		AGAERN
Cc1cc2ccc(Cl)nc2cc1F	145250001	344031871	/nfs/dbraw/zinc/03/18/71/344031871.db2.gz	PFSIROXONYSWRU-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
C=C(C)C[C@H]1CCCCCCC1=O	145276252	344032430	/nfs/dbraw/zinc/03/24/30/344032430.db2.gz	PBFWRNOFHZPVMX-LLVKDONJSA-N	0	0	180.291	3.492	10	0		AGAERN
C=C(C)C[C@@H]1CCCCCCC1=O	145276047	344032468	/nfs/dbraw/zinc/03/24/68/344032468.db2.gz	PBFWRNOFHZPVMX-NSHDSACASA-N	0	0	180.291	3.492	10	0		AGAERN
C=C/C=C\c1ccccc1C	145334226	344032834	/nfs/dbraw/zinc/03/28/34/344032834.db2.gz	HPRUFLPIVCPZDK-YWEYNIOJSA-N	0	0	144.217	3.194	10	0		AGAERN
Cc1cc(C)c(Cl)cc1F	145357090	344032875	/nfs/dbraw/zinc/03/28/75/344032875.db2.gz	PBWOJASKNNGEQT-UHFFFAOYSA-N	0	0	158.603	3.096	10	0		AGAERN
CCOc1c(C)cc(CC)cc1C	145326073	344032993	/nfs/dbraw/zinc/03/29/93/344032993.db2.gz	HDHYIXAEVDEWDM-UHFFFAOYSA-N	0	0	178.275	3.265	10	0		AGAERN
CSc1ccc(F)c(F)c1Cl	145385514	344033001	/nfs/dbraw/zinc/03/30/01/344033001.db2.gz	MHKXAMGVVLHIBS-UHFFFAOYSA-N	0	0	194.633	3.340	10	0		AGAERN
CCc1c(Cl)ccc(N)c1Cl	145410304	344033296	/nfs/dbraw/zinc/03/32/96/344033296.db2.gz	VHMGKBXVCNZOFG-UHFFFAOYSA-N	0	0	190.073	3.138	10	0		AGAERN
c1cc2c3c(c1)ccn3CCCCC2	145580926	344034476	/nfs/dbraw/zinc/03/44/76/344034476.db2.gz	PCNBJIBOAFQOPJ-UHFFFAOYSA-N	0	0	185.270	3.368	10	0		AGAERN
CCc1ccc(Cl)c(Cl)c1O	146047999	344038270	/nfs/dbraw/zinc/03/82/70/344038270.db2.gz	HFZMJGRRLPZHLZ-UHFFFAOYSA-N	0	0	191.057	3.261	10	0		AGAERN
Cc1ccc(Cl)c(Cl)c1O	145702421	344035052	/nfs/dbraw/zinc/03/50/52/344035052.db2.gz	FDWNKORATHTORU-UHFFFAOYSA-N	0	0	177.030	3.007	10	0		AGAERN
C=CCc1ccc(F)c(C#N)c1Cl	145779166	344035397	/nfs/dbraw/zinc/03/53/97/344035397.db2.gz	ACICUAFTOKHMGU-UHFFFAOYSA-N	0	0	195.624	3.079	10	0		AGAERN
CCc1ccc2cnc(Cl)cc2c1	145762976	344035398	/nfs/dbraw/zinc/03/53/98/344035398.db2.gz	HUGHPPSURFZMHP-UHFFFAOYSA-N	0	0	191.661	3.451	10	0		AGAERN
CCC=C(c1ccccc1)c1c[nH]cn1	145753316	344035492	/nfs/dbraw/zinc/03/54/92/344035492.db2.gz	XMOQSLNBPBGKCJ-SDQBBNPISA-N	0	0	198.269	3.251	10	0		AGAERN
Cc1cccc(Nc2ccccc2)c1N	145742808	344035738	/nfs/dbraw/zinc/03/57/38/344035738.db2.gz	NSSBQSXPBZCLDS-UHFFFAOYSA-N	0	0	198.269	3.321	10	0		AGAERN
Cc1ccc(C2(F)CCC2)c(Cl)n1	145920132	344037053	/nfs/dbraw/zinc/03/70/53/344037053.db2.gz	VCMKJNWGQNBCPA-UHFFFAOYSA-N	0	0	199.656	3.392	10	0		AGAERN
Cc1noc(C)c1-c1ccc(F)cc1	145960140	344037105	/nfs/dbraw/zinc/03/71/05/344037105.db2.gz	LYQKFOBEVAZCGW-UHFFFAOYSA-N	0	0	191.205	3.098	10	0		AGAERN
CCCc1ncc(C(C)C)s1	146082996	344038236	/nfs/dbraw/zinc/03/82/36/344038236.db2.gz	UMCUQGAEXJZTBK-UHFFFAOYSA-N	0	0	169.293	3.219	10	0		AGAERN
CCc1cc(O)c(Cl)c(Cl)c1	146047598	344038431	/nfs/dbraw/zinc/03/84/31/344038431.db2.gz	PGVTZHGGFXJPIB-UHFFFAOYSA-N	0	0	191.057	3.261	10	0		AGAERN
FC(F)(F)[C@H]1C=Cc2ccccc21	146161242	344038636	/nfs/dbraw/zinc/03/86/36/344038636.db2.gz	JKQCZKLZDQGKFX-VIFPVBQESA-N	0	0	184.160	3.359	10	0		AGAERN
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[C@@H](C)O	146129906	344038967	/nfs/dbraw/zinc/03/89/67/344038967.db2.gz	IRZHCQPTRXBMPW-DDHJBXDOSA-N	0	0	184.323	3.076	10	0		AGAERN
C=C(/C=C\C)c1ccccc1	146251674	344040036	/nfs/dbraw/zinc/04/00/36/344040036.db2.gz	MIUBQKCXRYVWFR-CLTKARDFSA-N	0	0	144.217	3.276	10	0		AGAERN
Clc1cc(Cl)c(C2CC2)cn1	146324688	344040261	/nfs/dbraw/zinc/04/02/61/344040261.db2.gz	YDBSMNFHMCALBW-UHFFFAOYSA-N	0	0	188.057	3.266	10	0		AGAERN
CNc1c(C)cc(Cl)cc1Cl	146755120	344041875	/nfs/dbraw/zinc/04/18/75/344041875.db2.gz	SGKCOXGFEZYOPN-UHFFFAOYSA-N	0	0	190.073	3.344	10	0		AGAERN
CC(=O)c1cc(C)cc2ccccc12	146698933	344042171	/nfs/dbraw/zinc/04/21/71/344042171.db2.gz	CNQSEWMWGQJSFM-UHFFFAOYSA-N	0	0	184.238	3.351	10	0		AGAERN
C[C@H]1CCCC[C@@]1(C)Br	146978718	344042622	/nfs/dbraw/zinc/04/26/22/344042622.db2.gz	VVTFYKPZXJLCCZ-JGVFFNPUSA-N	0	0	191.112	3.350	10	0		AGAERN
CC[C@@H]1Nc2ccccc2-n2cccc21	146964283	344042635	/nfs/dbraw/zinc/04/26/35/344042635.db2.gz	PXEOJIHDFQDPFC-JTQLQIEISA-N	0	0	198.269	3.354	10	0		AGAERN
CC[C@H]1Nc2ccccc2-n2cccc21	146964492	344042715	/nfs/dbraw/zinc/04/27/15/344042715.db2.gz	PXEOJIHDFQDPFC-SNVBAGLBSA-N	0	0	198.269	3.354	10	0		AGAERN
C1=CCc2cccc3ccn(c23)CC1	146896381	344042790	/nfs/dbraw/zinc/04/27/90/344042790.db2.gz	MTFKTMOFHHUHOK-UHFFFAOYSA-N	0	0	183.254	3.144	10	0		AGAERN
Cc1cc2c(OC(F)F)cccc2[nH]1	147019277	344043032	/nfs/dbraw/zinc/04/30/32/344043032.db2.gz	GXCZODOZYUTYMG-UHFFFAOYSA-N	0	0	197.184	3.078	10	0		AGAERN
Fc1ccc(F)c(-c2ccccn2)c1	147011100	344043126	/nfs/dbraw/zinc/04/31/26/344043126.db2.gz	BXKRRDLWJCJTPI-UHFFFAOYSA-N	0	0	191.180	3.027	10	0		AGAERN
CCCCC1=C[C@H]2CC(=O)C[C@@H](C1)C2	147097787	344043362	/nfs/dbraw/zinc/04/33/62/344043362.db2.gz	ZZMSIKOZPRULPK-NEPJUHHUSA-N	0	0	192.302	3.492	10	0		AGAERN
CC1(C)CCCC2=C1CCC(=O)C2	147368827	344043475	/nfs/dbraw/zinc/04/34/75/344043475.db2.gz	LDRYXFVEFAOGLO-UHFFFAOYSA-N	0	0	178.275	3.246	10	0		AGAERN
CC(C)c1cnn(C2CCCC2)c1	147329863	344043757	/nfs/dbraw/zinc/04/37/57/344043757.db2.gz	HNJNEUMJZZAARF-UHFFFAOYSA-N	0	0	178.279	3.122	10	0		AGAERN
COc1ccccc1/C=C/c1ccc[nH]1	147286903	344043799	/nfs/dbraw/zinc/04/37/99/344043799.db2.gz	GFINYODOXWDHKE-CMDGGOBGSA-N	0	0	199.253	3.194	10	0		AGAERN
C/C(=C\C1CCCC1)C[C@@H](C)CO	147617194	344044899	/nfs/dbraw/zinc/04/48/99/344044899.db2.gz	MUADATIOFHMORR-RJCSOLBVSA-N	0	0	182.307	3.141	10	0		AGAERN
CCc1cc(C)c(F)c(Cl)c1	148598207	344056401	/nfs/dbraw/zinc/05/64/01/344056401.db2.gz	PUDUNKDJVCUAIJ-UHFFFAOYSA-N	0	0	172.630	3.350	10	0		AGAERN
C/C(=C\C1CCCC1)C[C@H](C)CO	147617394	344045101	/nfs/dbraw/zinc/04/51/01/344045101.db2.gz	MUADATIOFHMORR-UQSGXBNBSA-N	0	0	182.307	3.141	10	0		AGAERN
C=CC(=C)c1ccccc1C	147877038	344045528	/nfs/dbraw/zinc/04/55/28/344045528.db2.gz	RKNRWKSOJAUSDU-UHFFFAOYSA-N	0	0	144.217	3.194	10	0		AGAERN
C/C(=C\[C@H]1CC=CCC1)CCCO	148054258	344046975	/nfs/dbraw/zinc/04/69/75/344046975.db2.gz	KCFLRVLFBKSKTM-IIANPFDCSA-N	0	0	180.291	3.062	10	0		AGAERN
CC(C)(C)[C@@H](O)C(C)(C)C(C)(C)C	148063580	344047244	/nfs/dbraw/zinc/04/72/44/344047244.db2.gz	QDCDNXPVZYFAHI-SECBINFHSA-N	0	0	186.339	3.466	10	0		AGAERN
CC(C)(C)[C@H](O)C(C)(C)C(C)(C)C	148063373	344047608	/nfs/dbraw/zinc/04/76/08/344047608.db2.gz	QDCDNXPVZYFAHI-VIFPVBQESA-N	0	0	186.339	3.466	10	0		AGAERN
C/C(=C\[C@@H]1CC=CCC1)CCCO	148054406	344047647	/nfs/dbraw/zinc/04/76/47/344047647.db2.gz	KCFLRVLFBKSKTM-HCRIHEDKSA-N	0	0	180.291	3.062	10	0		AGAERN
C[C@@H]1CCC[C@H]1C(=O)c1ccccc1	148105956	344048003	/nfs/dbraw/zinc/04/80/03/344048003.db2.gz	OTEHZPOEZVDESQ-ZYHUDNBSSA-N	0	0	188.270	3.306	10	0		AGAERN
C[C@H]1CCC[C@@H]1C(=O)c1ccccc1	148105766	344048032	/nfs/dbraw/zinc/04/80/32/344048032.db2.gz	OTEHZPOEZVDESQ-JQWIXIFHSA-N	0	0	188.270	3.306	10	0		AGAERN
C[C@H]1CCC[C@H]1C(=O)c1ccccc1	148106152	344048062	/nfs/dbraw/zinc/04/80/62/344048062.db2.gz	OTEHZPOEZVDESQ-CMPLNLGQSA-N	0	0	188.270	3.306	10	0		AGAERN
C[C@@H]1CCC[C@@H]1C(=O)c1ccccc1	148105577	344048144	/nfs/dbraw/zinc/04/81/44/344048144.db2.gz	OTEHZPOEZVDESQ-PWSUYJOCSA-N	0	0	188.270	3.306	10	0		AGAERN
CC(C)(C)Oc1ccc(Cl)c(N)c1	148130419	344048726	/nfs/dbraw/zinc/04/87/26/344048726.db2.gz	JMIMEHMCZGQDRO-UHFFFAOYSA-N	0	0	199.681	3.100	10	0		AGAERN
Cc1ncc(-c2ccccc2F)s1	148139792	344048813	/nfs/dbraw/zinc/04/88/13/344048813.db2.gz	LDMRWAVYHUZHFN-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
Cc1cc(N[C@H](C)C(C)C)ccc1O	148184054	344049978	/nfs/dbraw/zinc/04/99/78/344049978.db2.gz	QEOFTXMHTFGWBV-SNVBAGLBSA-N	0	0	193.290	3.157	10	0		AGAERN
CC(=O)[C@]1(C)CCC(C)=C(C)C1	148187414	344050049	/nfs/dbraw/zinc/05/00/49/344050049.db2.gz	ZVWDKRZMRVPMAQ-LLVKDONJSA-N	0	0	166.264	3.102	10	0		AGAERN
CC(=O)[C@@]1(C)CCC(C)=C(C)C1	148187207	344050277	/nfs/dbraw/zinc/05/02/77/344050277.db2.gz	ZVWDKRZMRVPMAQ-NSHDSACASA-N	0	0	166.264	3.102	10	0		AGAERN
Cc1cc(N[C@@H](C)C(C)C)ccc1O	148183875	344050320	/nfs/dbraw/zinc/05/03/20/344050320.db2.gz	QEOFTXMHTFGWBV-JTQLQIEISA-N	0	0	193.290	3.157	10	0		AGAERN
CCC[C@@H](C)Nc1ccc(O)c(C)c1	148192727	344050379	/nfs/dbraw/zinc/05/03/79/344050379.db2.gz	FCFICLHMXHNOMK-SNVBAGLBSA-N	0	0	193.290	3.301	10	0		AGAERN
CCC[C@H](C)Nc1ccc(O)c(C)c1	148192914	344050403	/nfs/dbraw/zinc/05/04/03/344050403.db2.gz	FCFICLHMXHNOMK-JTQLQIEISA-N	0	0	193.290	3.301	10	0		AGAERN
Cc1cc(NCCC(C)C)ccc1O	148240798	344052260	/nfs/dbraw/zinc/05/22/60/344052260.db2.gz	HDUDWRFNDNXLHS-UHFFFAOYSA-N	0	0	193.290	3.159	10	0		AGAERN
COc1cccc(-c2ccc(C)nc2)c1	148327852	344053106	/nfs/dbraw/zinc/05/31/06/344053106.db2.gz	HLQMKJMWCUVUQD-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
CCC(=O)c1cc(F)ccc1Cl	148357713	344053760	/nfs/dbraw/zinc/05/37/60/344053760.db2.gz	HVOWRXHAONMBJB-UHFFFAOYSA-N	0	0	186.613	3.072	10	0		AGAERN
CC(C)(C)c1cnc(Cl)s1	148384996	344054259	/nfs/dbraw/zinc/05/42/59/344054259.db2.gz	QGEBIYNHMYRIKI-UHFFFAOYSA-N	0	0	175.684	3.094	10	0		AGAERN
COC(=O)CCC(C)(C)C(C)(C)C	148486315	344054532	/nfs/dbraw/zinc/05/45/32/344054532.db2.gz	HVHWZIMIRSMEJJ-UHFFFAOYSA-N	0	0	186.295	3.012	10	0		AGAERN
Cc1cc(F)cc(C(F)(F)F)c1C	148469442	344054795	/nfs/dbraw/zinc/05/47/95/344054795.db2.gz	AICJSJZHHZXFBU-UHFFFAOYSA-N	0	0	192.155	3.461	10	0		AGAERN
CC(C)(C)c1cc(N)cc(Cl)c1	148625292	344056352	/nfs/dbraw/zinc/05/63/52/344056352.db2.gz	UKVABBWWMGOLKI-UHFFFAOYSA-N	0	0	183.682	3.220	10	0		AGAERN
CCc1cc(C=O)c2ccccc2c1	148661608	344057240	/nfs/dbraw/zinc/05/72/40/344057240.db2.gz	ZNYHQWWWIKLTDN-UHFFFAOYSA-N	0	0	184.238	3.215	10	0		AGAERN
CC[C@@H](O)[C@@H](C)c1cc(C)cc(C)c1	148702535	344057588	/nfs/dbraw/zinc/05/75/88/344057588.db2.gz	VBMBWBORTNERKI-WCQYABFASA-N	0	0	192.302	3.178	10	0		AGAERN
CCC(=O)[C@H](C)c1cc(C)cc(C)c1	148692180	344057679	/nfs/dbraw/zinc/05/76/79/344057679.db2.gz	GHFRIZHPKCUJHG-LLVKDONJSA-N	0	0	190.286	3.386	10	0		AGAERN
CC[C@H](O)[C@H](C)c1cc(C)cc(C)c1	148702742	344057825	/nfs/dbraw/zinc/05/78/25/344057825.db2.gz	VBMBWBORTNERKI-YPMHNXCESA-N	0	0	192.302	3.178	10	0		AGAERN
CC[C@H](O)[C@@H](C)c1cc(C)cc(C)c1	148702312	344057893	/nfs/dbraw/zinc/05/78/93/344057893.db2.gz	VBMBWBORTNERKI-AAEUAGOBSA-N	0	0	192.302	3.178	10	0		AGAERN
CC[C@@H](O)[C@H](C)c1cc(C)cc(C)c1	148702948	344057981	/nfs/dbraw/zinc/05/79/81/344057981.db2.gz	VBMBWBORTNERKI-DGCLKSJQSA-N	0	0	192.302	3.178	10	0		AGAERN
CCC(=O)[C@@H](C)c1cc(C)cc(C)c1	148691970	344057982	/nfs/dbraw/zinc/05/79/82/344057982.db2.gz	GHFRIZHPKCUJHG-NSHDSACASA-N	0	0	190.286	3.386	10	0		AGAERN
Cc1ccc2ncccc2c1Cl	148739444	344058253	/nfs/dbraw/zinc/05/82/53/344058253.db2.gz	MJCKREANVDMNFP-UHFFFAOYSA-N	0	0	177.634	3.197	10	0		AGAERN
Cc1cc(Cl)nc2ccsc12	148766447	344058445	/nfs/dbraw/zinc/05/84/45/344058445.db2.gz	MVPKSNUJJZIFOK-UHFFFAOYSA-N	0	0	183.663	3.258	10	0		AGAERN
CCCc1c(C)cc(C)c(C)c1C=O	148808684	344058803	/nfs/dbraw/zinc/05/88/03/344058803.db2.gz	HNGAWQDSYHUWGQ-UHFFFAOYSA-N	0	0	190.286	3.377	10	0		AGAERN
CC(C)(C)C(=O)C1C(C)(C)C1(C)C	148867541	344059756	/nfs/dbraw/zinc/05/97/56/344059756.db2.gz	KJIMAHOKSFOWPQ-UHFFFAOYSA-N	0	0	182.307	3.284	10	0		AGAERN
Cc1cc(F)c(F)c(Cl)c1F	148965849	344060990	/nfs/dbraw/zinc/06/09/90/344060990.db2.gz	QBRNFAFLULFMKX-UHFFFAOYSA-N	0	0	180.556	3.066	10	0		AGAERN
Cc1csc(C(=O)C(C)(C)C)c1	149031974	344061040	/nfs/dbraw/zinc/06/10/40/344061040.db2.gz	TVPMPUQRCRRQMJ-UHFFFAOYSA-N	0	0	182.288	3.285	10	0		AGAERN
Fc1cc(Cl)cc(Cl)c1F	148986339	344061116	/nfs/dbraw/zinc/06/11/16/344061116.db2.gz	IUSXJNYNOFNTHP-UHFFFAOYSA-N	0	0	182.984	3.272	10	0		AGAERN
C[C@@H]1CCCC[C@]1(C)Cl	149059267	344061934	/nfs/dbraw/zinc/06/19/34/344061934.db2.gz	NZSHXDCQEJXZNR-SFYZADRCSA-N	0	0	146.661	3.194	10	0		AGAERN
CCCCC/C=C/CF	149127124	344062337	/nfs/dbraw/zinc/06/23/37/344062337.db2.gz	IHJITRFKEFESAE-VOTSOKGWSA-N	0	0	130.206	3.092	10	0		AGAERN
CC(C)[C@@H]1CCc2ccccc2N1C	149198709	344062878	/nfs/dbraw/zinc/06/28/78/344062878.db2.gz	HVBKNYYENUUQJC-LBPRGKRZSA-N	0	0	189.302	3.094	10	0		AGAERN
CC/C=C/CCCCCC(=O)OC	149372501	344064784	/nfs/dbraw/zinc/06/47/84/344064784.db2.gz	YMCVVWOIKOLXNA-SNAWJCMRSA-N	0	0	184.279	3.076	10	0		AGAERN
C=Cc1cc(Cl)c(O)cc1Cl	149410094	344065414	/nfs/dbraw/zinc/06/54/14/344065414.db2.gz	JZNWZXKDAGKTLA-UHFFFAOYSA-N	0	0	189.041	3.342	10	0		AGAERN
CC(C)[C@H]1CCN(C)c2ccccc21	149454633	344065831	/nfs/dbraw/zinc/06/58/31/344065831.db2.gz	FDPGTXDKXWGRKC-LLVKDONJSA-N	0	0	189.302	3.266	10	0		AGAERN
CC(C)[C@@H]1CCN(C)c2ccccc21	149454422	344065894	/nfs/dbraw/zinc/06/58/94/344065894.db2.gz	FDPGTXDKXWGRKC-NSHDSACASA-N	0	0	189.302	3.266	10	0		AGAERN
CCc1cc(Cl)c(Cl)cc1N	149504917	344066652	/nfs/dbraw/zinc/06/66/52/344066652.db2.gz	YAARCJPCJFVIAF-UHFFFAOYSA-N	0	0	190.073	3.138	10	0		AGAERN
CSC(C)(C)c1ccccc1	149479669	344066788	/nfs/dbraw/zinc/06/67/88/344066788.db2.gz	FPRRGZGFJICDMZ-UHFFFAOYSA-N	0	0	166.289	3.285	10	0		AGAERN
CCCc1c[nH]c2ccc(C)cc12	149511605	344067065	/nfs/dbraw/zinc/06/70/65/344067065.db2.gz	OVOMXDLPKQOXHC-UHFFFAOYSA-N	0	0	173.259	3.429	10	0		AGAERN
Cc1cc(C)c(F)c(C(F)(F)F)c1	149613356	344068664	/nfs/dbraw/zinc/06/86/64/344068664.db2.gz	UMOPXDWFYUDXKJ-UHFFFAOYSA-N	0	0	192.155	3.461	10	0		AGAERN
Cc1cc(F)cc(C)c1C(F)(F)F	149602907	344068702	/nfs/dbraw/zinc/06/87/02/344068702.db2.gz	OIFQMMQYRQYQCG-UHFFFAOYSA-N	0	0	192.155	3.461	10	0		AGAERN
Cc1cc(C)c(F)c(Cl)c1	149616824	344068706	/nfs/dbraw/zinc/06/87/06/344068706.db2.gz	SCNOFOCRKBGQBA-UHFFFAOYSA-N	0	0	158.603	3.096	10	0		AGAERN
Cc1cc(C(F)(F)F)cc(F)c1C	149621312	344068728	/nfs/dbraw/zinc/06/87/28/344068728.db2.gz	LIIKMCRFJGFPJS-UHFFFAOYSA-N	0	0	192.155	3.461	10	0		AGAERN
C[C@H]1CCC[C@H]2CCC[C@@H]12	149653776	344069191	/nfs/dbraw/zinc/06/91/91/344069191.db2.gz	YNMAHCSDLWHZRX-GUBZILKMSA-N	0	0	138.254	3.223	10	0		AGAERN
Nc1ccc(C2CCC2)cc1Cl	149633706	344069214	/nfs/dbraw/zinc/06/92/14/344069214.db2.gz	XZWAUDPNUOHICP-UHFFFAOYSA-N	0	0	181.666	3.190	10	0		AGAERN
COc1ccc(-c2cccnc2C)cc1	149656858	344069248	/nfs/dbraw/zinc/06/92/48/344069248.db2.gz	NTEVETJYDRBJGD-UHFFFAOYSA-N	0	0	199.253	3.066	10	0		AGAERN
C/C=C(/Br)c1ccccc1	149727068	344070508	/nfs/dbraw/zinc/07/05/08/344070508.db2.gz	ACBQEXKLZZDORL-XNWCZRBMSA-N	0	0	197.075	3.442	10	0		AGAERN
Cc1ccc(NC2CC2)c(Cl)c1	149812360	344071326	/nfs/dbraw/zinc/07/13/26/344071326.db2.gz	KARIZRUBKXREKW-UHFFFAOYSA-N	0	0	181.666	3.223	10	0		AGAERN
CCCC(C)(C)CC(=O)OC(C)C	149796974	344071336	/nfs/dbraw/zinc/07/13/36/344071336.db2.gz	LGMXFFISXWDWLM-UHFFFAOYSA-N	0	0	186.295	3.154	10	0		AGAERN
Cc1ccc(C(=O)C(C)(C)C)c(F)c1	149780613	344071621	/nfs/dbraw/zinc/07/16/21/344071621.db2.gz	OKCTWGNHBAEWJH-UHFFFAOYSA-N	0	0	194.249	3.363	10	0		AGAERN
Cc1cc(C(=O)C(C)(C)C)oc1C	149845101	344072137	/nfs/dbraw/zinc/07/21/37/344072137.db2.gz	YOUKDIJHTUXZLN-UHFFFAOYSA-N	0	0	180.247	3.125	10	0		AGAERN
Cc1cc(-c2ccccc2F)co1	149894970	344072613	/nfs/dbraw/zinc/07/26/13/344072613.db2.gz	YUERZJDRAXYOEH-UHFFFAOYSA-N	0	0	176.190	3.394	10	0		AGAERN
CC(C)CSCC(C)(C)C	149914691	344073145	/nfs/dbraw/zinc/07/31/45/344073145.db2.gz	FLZPRTSPKDLQAU-UHFFFAOYSA-N	0	0	160.326	3.422	10	0		AGAERN
CCCCc1ccc(NC)c(C)c1	149938879	344073721	/nfs/dbraw/zinc/07/37/21/344073721.db2.gz	PTCHAGSENXLANE-UHFFFAOYSA-N	0	0	177.291	3.379	10	0		AGAERN
O/N=C1\CC[C@@H]1c1ccc(Cl)cc1	149945855	344073782	/nfs/dbraw/zinc/07/37/82/344073782.db2.gz	OLRDFMBLUZMBFT-UUOLZROSSA-N	0	0	195.649	3.048	10	0		AGAERN
CC(C)c1cc(N)cc(Cl)c1	149941559	344073955	/nfs/dbraw/zinc/07/39/55/344073955.db2.gz	YIFYWIAARRIPEY-UHFFFAOYSA-N	0	0	169.655	3.046	10	0		AGAERN
O/N=C1\CC[C@H]1c1ccc(Cl)cc1	149946063	344073963	/nfs/dbraw/zinc/07/39/63/344073963.db2.gz	OLRDFMBLUZMBFT-QTLFRQQHSA-N	0	0	195.649	3.048	10	0		AGAERN
CCCCCCc1coc(C)n1	149998493	344074948	/nfs/dbraw/zinc/07/49/48/344074948.db2.gz	NKFILVQCSXSCGL-UHFFFAOYSA-N	0	0	167.252	3.106	10	0		AGAERN
CCc1cc(O)cc(CC)c1Cl	150034168	344075580	/nfs/dbraw/zinc/07/55/80/344075580.db2.gz	VFJDMNHVWVTZHN-UHFFFAOYSA-N	0	0	184.666	3.170	10	0		AGAERN
C[C@H](Cn1cccc1)c1ccccc1	150127782	344077040	/nfs/dbraw/zinc/07/70/40/344077040.db2.gz	RHPVEXUOCZEXNL-GFCCVEGCSA-N	0	0	185.270	3.292	10	0		AGAERN
C[C@@H](Cn1cccc1)c1ccccc1	150127581	344077171	/nfs/dbraw/zinc/07/71/71/344077171.db2.gz	RHPVEXUOCZEXNL-LBPRGKRZSA-N	0	0	185.270	3.292	10	0		AGAERN
Cc1cccc2ccc(F)cc12	150155784	344077789	/nfs/dbraw/zinc/07/77/89/344077789.db2.gz	JYQQLZHPVDOYLL-UHFFFAOYSA-N	0	0	160.191	3.287	10	0		AGAERN
C[C@@H]1CCC(=O)c2cc(Cl)ccc21	150193916	344078378	/nfs/dbraw/zinc/07/83/78/344078378.db2.gz	AYYSZPWIPQKMDH-SSDOTTSWSA-N	0	0	194.661	3.420	10	0		AGAERN
C[C@H]1CCC(=O)c2cc(Cl)ccc21	150194112	344078402	/nfs/dbraw/zinc/07/84/02/344078402.db2.gz	AYYSZPWIPQKMDH-ZETCQYMHSA-N	0	0	194.661	3.420	10	0		AGAERN
CCCC[PH](=O)CCCC	150521923	344080287	/nfs/dbraw/zinc/08/02/87/344080287.db2.gz	CSILLBGWWDXKNC-UHFFFAOYSA-N	0	0	162.213	3.146	10	0		AGAERN
O[C@H](c1cccc(C(F)F)c1)C1CC1	156132198	344081049	/nfs/dbraw/zinc/08/10/49/344081049.db2.gz	YOVKZKWEMRMXRO-JTQLQIEISA-N	0	0	198.212	3.068	10	0		AGAERN
CCC[C@H](C)c1nccnc1Cl	156241742	344082514	/nfs/dbraw/zinc/08/25/14/344082514.db2.gz	YIHPRUHVCIRQQE-ZETCQYMHSA-N	0	0	184.670	3.034	10	0		AGAERN
CCC[C@@H](C)c1nccnc1Cl	156241604	344082764	/nfs/dbraw/zinc/08/27/64/344082764.db2.gz	YIHPRUHVCIRQQE-SSDOTTSWSA-N	0	0	184.670	3.034	10	0		AGAERN
Cc1ccc(-c2cccc(O)c2)s1	156623721	344092747	/nfs/dbraw/zinc/09/27/47/344092747.db2.gz	WCQTVFHGEJQKHP-UHFFFAOYSA-N	0	0	190.267	3.429	10	0		AGAERN
Cc1cc(-c2ccc(O)cc2)cs1	156641764	344093331	/nfs/dbraw/zinc/09/33/31/344093331.db2.gz	BYCLLXZLZIPYMQ-UHFFFAOYSA-N	0	0	190.267	3.429	10	0		AGAERN
Cc1ccsc1-c1ccccc1O	156644738	344093380	/nfs/dbraw/zinc/09/33/80/344093380.db2.gz	JMXWCSXRVUXTJY-UHFFFAOYSA-N	0	0	190.267	3.429	10	0		AGAERN
Cc1cc(O)ccc1-c1cccs1	156682777	344093807	/nfs/dbraw/zinc/09/38/07/344093807.db2.gz	REAZYRHQVRSXTP-UHFFFAOYSA-N	0	0	190.267	3.429	10	0		AGAERN
CC[C@@H]1CCc2c(C=O)csc2C1	156704789	344093956	/nfs/dbraw/zinc/09/39/56/344093956.db2.gz	FCWFGUBFTOWEOP-MRVPVSSYSA-N	0	0	194.299	3.076	10	0		AGAERN
CC[C@H]1CCc2c(C=O)csc2C1	156704925	344094093	/nfs/dbraw/zinc/09/40/93/344094093.db2.gz	FCWFGUBFTOWEOP-QMMMGPOBSA-N	0	0	194.299	3.076	10	0		AGAERN
Oc1ccc(Cl)cc1-c1ccoc1	156735393	344094620	/nfs/dbraw/zinc/09/46/20/344094620.db2.gz	NVMYPKOGIRZRGT-UHFFFAOYSA-N	0	0	194.617	3.306	10	0		AGAERN
Oc1ccc(Cl)cc1-c1ccco1	156736579	344094653	/nfs/dbraw/zinc/09/46/53/344094653.db2.gz	JKRSBYVZGPDOFJ-UHFFFAOYSA-N	0	0	194.617	3.306	10	0		AGAERN
Oc1cc(-c2ccoc2)ccc1Cl	156734100	344094681	/nfs/dbraw/zinc/09/46/81/344094681.db2.gz	FRLKRCBFFJPRMF-UHFFFAOYSA-N	0	0	194.617	3.306	10	0		AGAERN
Oc1ccc(-c2ccoc2)cc1Cl	156733923	344094765	/nfs/dbraw/zinc/09/47/65/344094765.db2.gz	KIGOKEMDHUWSCK-UHFFFAOYSA-N	0	0	194.617	3.306	10	0		AGAERN
CC(C)Cc1ccc(Cl)c(O)c1	156760841	344095370	/nfs/dbraw/zinc/09/53/70/344095370.db2.gz	ZEVCYAMOUPZVCQ-UHFFFAOYSA-N	0	0	184.666	3.244	10	0		AGAERN
Cc1cc(O)ccc1-c1ccsc1	156764043	344095425	/nfs/dbraw/zinc/09/54/25/344095425.db2.gz	LULKXMWJNQJFDF-UHFFFAOYSA-N	0	0	190.267	3.429	10	0		AGAERN
Cc1cc(N)cc(SC(C)C)c1	157070332	344099980	/nfs/dbraw/zinc/09/99/80/344099980.db2.gz	AIAHHWHHPMEMNV-UHFFFAOYSA-N	0	0	181.304	3.078	10	0		AGAERN
CC(C)(C)c1nc(C2CC2)cs1	157119881	344100153	/nfs/dbraw/zinc/10/01/53/344100153.db2.gz	DZDXEZHGTGQWSZ-UHFFFAOYSA-N	0	0	181.304	3.318	10	0		AGAERN
CCCCc1nc(C2CC2)cs1	157120356	344100504	/nfs/dbraw/zinc/10/05/04/344100504.db2.gz	MLDGJXLZVVVUKG-UHFFFAOYSA-N	0	0	181.304	3.363	10	0		AGAERN
CC[C@H]1CCC[C@H]1Nc1cccnc1	157153685	344100946	/nfs/dbraw/zinc/10/09/46/344100946.db2.gz	PCLORXWBBMJYEM-CMPLNLGQSA-N	0	0	190.290	3.072	10	0		AGAERN
CC[C@@H]1CCC[C@@H]1Nc1cccnc1	157153258	344100966	/nfs/dbraw/zinc/10/09/66/344100966.db2.gz	PCLORXWBBMJYEM-PWSUYJOCSA-N	0	0	190.290	3.072	10	0		AGAERN
CC[C@H]1CCC[C@@H]1Nc1cccnc1	157153399	344101076	/nfs/dbraw/zinc/10/10/76/344101076.db2.gz	PCLORXWBBMJYEM-JQWIXIFHSA-N	0	0	190.290	3.072	10	0		AGAERN
Cc1csc(CCC(C)C)n1	157232552	344101617	/nfs/dbraw/zinc/10/16/17/344101617.db2.gz	CQNHANWOQGOCTL-UHFFFAOYSA-N	0	0	169.293	3.040	10	0		AGAERN
CCCc1csc(-c2ccco2)n1	157229739	344101640	/nfs/dbraw/zinc/10/16/40/344101640.db2.gz	HGUCTSWCPOMFBR-UHFFFAOYSA-N	0	0	193.271	3.356	10	0		AGAERN
C[C@H](O)C=C1CCCCCCC1	157354753	344104056	/nfs/dbraw/zinc/10/40/56/344104056.db2.gz	HAZDBESRJXREEF-JTQLQIEISA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@@H](O)C=C1CCCCCCC1	157354897	344104106	/nfs/dbraw/zinc/10/41/06/344104106.db2.gz	HAZDBESRJXREEF-SNVBAGLBSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCc1ccc(-c2ccon2)cc1	157387847	344105031	/nfs/dbraw/zinc/10/50/31/344105031.db2.gz	QDWYPSLYZXJQFM-UHFFFAOYSA-N	0	0	187.242	3.294	10	0		AGAERN
CCO[C@@H](C)c1nc(C2CC2)cs1	157403835	344105833	/nfs/dbraw/zinc/10/58/33/344105833.db2.gz	AEYTVGRMXADGTE-ZETCQYMHSA-N	0	0	197.303	3.118	10	0		AGAERN
CCO[C@H](C)c1nc(C2CC2)cs1	157403975	344106208	/nfs/dbraw/zinc/10/62/08/344106208.db2.gz	AEYTVGRMXADGTE-SSDOTTSWSA-N	0	0	197.303	3.118	10	0		AGAERN
CCC1CCC(C(=O)C(F)F)CC1	157639449	344110785	/nfs/dbraw/zinc/11/07/85/344110785.db2.gz	YNZIWEMMSVNOFT-UHFFFAOYSA-N	0	0	190.233	3.037	10	0		AGAERN
Cc1ccc(N)c(-c2ccc(C)o2)c1	157794462	344114441	/nfs/dbraw/zinc/11/44/41/344114441.db2.gz	MRCZWNKWNIDOCD-UHFFFAOYSA-N	0	0	187.242	3.146	10	0		AGAERN
CCCc1csc(C2CCC2)n1	158221630	344122083	/nfs/dbraw/zinc/12/20/83/344122083.db2.gz	WNFOJAWSKOVWRV-UHFFFAOYSA-N	0	0	181.304	3.363	10	0		AGAERN
CCCC(=O)c1ccnc2ccccc12	158278083	344123142	/nfs/dbraw/zinc/12/31/42/344123142.db2.gz	JBLUVCXCBMCQDW-UHFFFAOYSA-N	0	0	199.253	3.218	10	0		AGAERN
FC(F)(F)c1nc(C2CC2)cs1	158284988	344123158	/nfs/dbraw/zinc/12/31/58/344123158.db2.gz	DXWUIRKHXCJDGH-UHFFFAOYSA-N	0	0	193.193	3.039	10	0		AGAERN
CC(C)c1csc(C(F)(F)F)n1	158284806	344123309	/nfs/dbraw/zinc/12/33/09/344123309.db2.gz	NHMIZDPWAGRZFL-UHFFFAOYSA-N	0	0	195.209	3.285	10	0		AGAERN
CC(C)(C)SCc1nccs1	158577618	344129032	/nfs/dbraw/zinc/12/90/32/344129032.db2.gz	YSFBWQSBEZUVIO-UHFFFAOYSA-N	0	0	187.333	3.175	10	0		AGAERN
CCCc1ccc(C(=O)C(F)F)cc1	158648388	344130063	/nfs/dbraw/zinc/13/00/63/344130063.db2.gz	GRUJJGATOBEITR-UHFFFAOYSA-N	0	0	198.212	3.087	10	0		AGAERN
Cc1cc(N)c(Cl)cc1NC(C)C	158732165	344131639	/nfs/dbraw/zinc/13/16/39/344131639.db2.gz	NNMBUYVHGLOWHM-UHFFFAOYSA-N	0	0	198.697	3.051	10	0		AGAERN
CC(C)Sc1ccc(C=O)s1	158823705	344133769	/nfs/dbraw/zinc/13/37/69/344133769.db2.gz	AHFJZKKTHDJPHC-UHFFFAOYSA-N	0	0	186.301	3.061	10	0		AGAERN
CC[C@H](C)Nc1cc(N)c(C)cc1C	158876034	344134414	/nfs/dbraw/zinc/13/44/14/344134414.db2.gz	RKJISQFGBIJAPK-JTQLQIEISA-N	0	0	192.306	3.096	10	0		AGAERN
CC[C@@H](C)Nc1cc(N)c(C)cc1C	158875896	344134476	/nfs/dbraw/zinc/13/44/76/344134476.db2.gz	RKJISQFGBIJAPK-SNVBAGLBSA-N	0	0	192.306	3.096	10	0		AGAERN
CC(C)=C[C@](C)(O)C1CCCCC1	159332118	344142176	/nfs/dbraw/zinc/14/21/76/344142176.db2.gz	ZROWZZSHSVZVIT-LBPRGKRZSA-N	0	0	182.307	3.284	10	0		AGAERN
Cc1cc(N)cc(NCCC(C)C)c1	159851476	344152959	/nfs/dbraw/zinc/15/29/59/344152959.db2.gz	NPCHPGZYWMPBMC-UHFFFAOYSA-N	0	0	192.306	3.035	10	0		AGAERN
CCC(CC)Nc1cc(C)cc(N)c1	159850121	344153018	/nfs/dbraw/zinc/15/30/18/344153018.db2.gz	VSZILSAPIBURNI-UHFFFAOYSA-N	0	0	192.306	3.178	10	0		AGAERN
CCC(C)(C)Nc1cc(C)cc(N)c1	159852173	344153107	/nfs/dbraw/zinc/15/31/07/344153107.db2.gz	BVTYOLBEXZXQDS-UHFFFAOYSA-N	0	0	192.306	3.178	10	0		AGAERN
CC[C@H](C)Sc1cc(C)cc(N)c1	159868742	344153429	/nfs/dbraw/zinc/15/34/29/344153429.db2.gz	KQOHDGQCNZHXMA-VIFPVBQESA-N	0	0	195.331	3.468	10	0		AGAERN
Cc1cc(N)cc(O[C@@H](C)C(C)C)c1	159867506	344153509	/nfs/dbraw/zinc/15/35/09/344153509.db2.gz	FYHILXGDFGPNJW-JTQLQIEISA-N	0	0	193.290	3.001	10	0		AGAERN
Cc1cc(N)cc(O[C@H](C)C(C)C)c1	159867626	344153514	/nfs/dbraw/zinc/15/35/14/344153514.db2.gz	FYHILXGDFGPNJW-SNVBAGLBSA-N	0	0	193.290	3.001	10	0		AGAERN
Cc1cc(N)cc(SCC(C)C)c1	159869203	344153516	/nfs/dbraw/zinc/15/35/16/344153516.db2.gz	IHVKLBJPAQRJLP-UHFFFAOYSA-N	0	0	195.331	3.325	10	0		AGAERN
CC[C@@H](C)CNc1cc(C)cc(N)c1	159860643	344153541	/nfs/dbraw/zinc/15/35/41/344153541.db2.gz	MSPTUHCLCBHDCB-SECBINFHSA-N	0	0	192.306	3.035	10	0		AGAERN
CC[C@H](C)CNc1cc(C)cc(N)c1	159860779	344153559	/nfs/dbraw/zinc/15/35/59/344153559.db2.gz	MSPTUHCLCBHDCB-VIFPVBQESA-N	0	0	192.306	3.035	10	0		AGAERN
CC[C@@H](C)Sc1cc(C)cc(N)c1	159868610	344153575	/nfs/dbraw/zinc/15/35/75/344153575.db2.gz	KQOHDGQCNZHXMA-SECBINFHSA-N	0	0	195.331	3.468	10	0		AGAERN
Cc1cc(N)cc(SC(C)(C)C)c1	159868896	344153599	/nfs/dbraw/zinc/15/35/99/344153599.db2.gz	DROOMQRRDLMWPW-UHFFFAOYSA-N	0	0	195.331	3.468	10	0		AGAERN
Cc1cc(N)cc(NCC(C)(C)C)c1	159856982	344153618	/nfs/dbraw/zinc/15/36/18/344153618.db2.gz	LCPSGIZKYMHMGD-UHFFFAOYSA-N	0	0	192.306	3.035	10	0		AGAERN
CCC(C)(C)Oc1cc(C)cc(N)c1	159865791	344153654	/nfs/dbraw/zinc/15/36/54/344153654.db2.gz	CMLXCWGJKAFGMM-UHFFFAOYSA-N	0	0	193.290	3.145	10	0		AGAERN
CC(C)CC[C@@]1(C)CCC(=O)C1	159951404	344154960	/nfs/dbraw/zinc/15/49/60/344154960.db2.gz	HTQKVMMYXBCKSE-NSHDSACASA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)CC[C@]1(C)CCC(=O)C1	159951280	344155167	/nfs/dbraw/zinc/15/51/67/344155167.db2.gz	HTQKVMMYXBCKSE-LLVKDONJSA-N	0	0	168.280	3.182	10	0		AGAERN
Nc1ccc(F)c(-c2ccsc2)c1	160060328	344157726	/nfs/dbraw/zinc/15/77/26/344157726.db2.gz	BNQOKQDUFSDSNM-UHFFFAOYSA-N	0	0	193.246	3.136	10	0		AGAERN
C[C@]1(C(=O)CC2CCC2)CCCS1	160298201	344162178	/nfs/dbraw/zinc/16/21/78/344162178.db2.gz	WTKFPMNNUDRTRI-LLVKDONJSA-N	0	0	198.331	3.031	10	0		AGAERN
C[C@@]1(C(=O)CC2CCC2)CCCS1	160298323	344162250	/nfs/dbraw/zinc/16/22/50/344162250.db2.gz	WTKFPMNNUDRTRI-NSHDSACASA-N	0	0	198.331	3.031	10	0		AGAERN
CC[C@@H]1c2c(F)cccc2C(=O)[C@H]1C	160398025	344164313	/nfs/dbraw/zinc/16/43/13/344164313.db2.gz	KSAWUSCFGGGXBD-YUMQZZPRSA-N	0	0	192.233	3.152	10	0		AGAERN
CC[C@H]1c2c(F)cccc2C(=O)[C@@H]1C	160397893	344164340	/nfs/dbraw/zinc/16/43/40/344164340.db2.gz	KSAWUSCFGGGXBD-HTQZYQBOSA-N	0	0	192.233	3.152	10	0		AGAERN
CC[C@H]1c2c(F)cccc2C(=O)[C@H]1C	160398166	344164471	/nfs/dbraw/zinc/16/44/71/344164471.db2.gz	KSAWUSCFGGGXBD-JGVFFNPUSA-N	0	0	192.233	3.152	10	0		AGAERN
CC[C@@H]1c2c(F)cccc2C(=O)[C@@H]1C	160397754	344164561	/nfs/dbraw/zinc/16/45/61/344164561.db2.gz	KSAWUSCFGGGXBD-SFYZADRCSA-N	0	0	192.233	3.152	10	0		AGAERN
CCc1csc(-c2ccoc2C)n1	160457296	344166912	/nfs/dbraw/zinc/16/69/12/344166912.db2.gz	GTSCTYRXOSCWGX-UHFFFAOYSA-N	0	0	193.271	3.274	10	0		AGAERN
C/C(=C/[C@H](C)O)c1ccc(C)cc1C	160515598	344168148	/nfs/dbraw/zinc/16/81/48/344168148.db2.gz	YBRGBXGOYUPGRG-KGTBHZDVSA-N	0	0	190.286	3.088	10	0		AGAERN
C/C(=C/[C@@H](C)O)c1ccc(C)cc1C	160515460	344168171	/nfs/dbraw/zinc/16/81/71/344168171.db2.gz	YBRGBXGOYUPGRG-NXIHDVOMSA-N	0	0	190.286	3.088	10	0		AGAERN
C/C(=C/[C@@H](C)O)c1ccc(Cl)cc1	160526200	344168567	/nfs/dbraw/zinc/16/85/67/344168567.db2.gz	RRYDMOPNXMXLMK-UFGYOYAJSA-N	0	0	196.677	3.124	10	0		AGAERN
C/C(=C/[C@H](C)O)c1ccc(Cl)cc1	160526096	344168705	/nfs/dbraw/zinc/16/87/05/344168705.db2.gz	RRYDMOPNXMXLMK-FUOZMLNRSA-N	0	0	196.677	3.124	10	0		AGAERN
O=C(C1CCCCCC1)C1CCC1	161043119	344184010	/nfs/dbraw/zinc/18/40/10/344184010.db2.gz	NOLWIJLKLUBZDC-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
CC(C)c1ccc(C=O)c(Cl)c1	161069550	344184603	/nfs/dbraw/zinc/18/46/03/344184603.db2.gz	GXFOEXYIWAYYJL-UHFFFAOYSA-N	0	0	182.650	3.276	10	0		AGAERN
CC1(C)CCC(O)(CC2CC2)CC1	161161117	344186281	/nfs/dbraw/zinc/18/62/81/344186281.db2.gz	WCOYQYMISWQDJT-UHFFFAOYSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1cc(SC2CCC2)ccc1N	161194936	344186547	/nfs/dbraw/zinc/18/65/47/344186547.db2.gz	JNQKSEMPONUIIX-UHFFFAOYSA-N	0	0	193.315	3.222	10	0		AGAERN
Cc1c(N)cccc1SC1CCC1	161195201	344186566	/nfs/dbraw/zinc/18/65/66/344186566.db2.gz	ISTYGQKCWUWJFO-UHFFFAOYSA-N	0	0	193.315	3.222	10	0		AGAERN
Cc1ccc(N)c(SC2CCC2)c1	161194819	344186584	/nfs/dbraw/zinc/18/65/84/344186584.db2.gz	AKDKBUAWIOBYJO-UHFFFAOYSA-N	0	0	193.315	3.222	10	0		AGAERN
Cc1ccc(SC2CCC2)c(N)c1	161190125	344186636	/nfs/dbraw/zinc/18/66/36/344186636.db2.gz	IKTSJYCRZOWKNA-UHFFFAOYSA-N	0	0	193.315	3.222	10	0		AGAERN
Cc1ccc(N)cc1SC1CCC1	161195333	344186649	/nfs/dbraw/zinc/18/66/49/344186649.db2.gz	VFXBBUJHTQLEPC-UHFFFAOYSA-N	0	0	193.315	3.222	10	0		AGAERN
Nc1cc(F)ccc1SC1CCC1	161190531	344186656	/nfs/dbraw/zinc/18/66/56/344186656.db2.gz	KSWCYCYKQXATJE-UHFFFAOYSA-N	0	0	197.278	3.053	10	0		AGAERN
Nc1ccc(SC2CCC2)cc1F	161195479	344186680	/nfs/dbraw/zinc/18/66/80/344186680.db2.gz	YLHDOYLLZRZUJG-UHFFFAOYSA-N	0	0	197.278	3.053	10	0		AGAERN
Cc1cccc(SC2CCC2)c1N	161195603	344186755	/nfs/dbraw/zinc/18/67/55/344186755.db2.gz	KAUKJFBGYHZHOD-UHFFFAOYSA-N	0	0	193.315	3.222	10	0		AGAERN
Cc1cc(N)ccc1SC1CCC1	161190259	344186768	/nfs/dbraw/zinc/18/67/68/344186768.db2.gz	RQEXOWHGXCQNJH-UHFFFAOYSA-N	0	0	193.315	3.222	10	0		AGAERN
Nc1ccc(SC2CCC2)c(F)c1	161190389	344186781	/nfs/dbraw/zinc/18/67/81/344186781.db2.gz	AXPHOONGOGRVAN-UHFFFAOYSA-N	0	0	197.278	3.053	10	0		AGAERN
CCc1ccccc1[C@H](O)C1CCC1	161229647	344187076	/nfs/dbraw/zinc/18/70/76/344187076.db2.gz	QERRBDMMUAHBIN-CYBMUJFWSA-N	0	0	190.286	3.083	10	0		AGAERN
Cc1ccccc1[C@@](C)(O)C1CCC1	161213370	344187147	/nfs/dbraw/zinc/18/71/47/344187147.db2.gz	HNWFRHKVSDWYOZ-ZDUSSCGKSA-N	0	0	190.286	3.003	10	0		AGAERN
Cc1ccccc1[C@](C)(O)C1CCC1	161213247	344187179	/nfs/dbraw/zinc/18/71/79/344187179.db2.gz	HNWFRHKVSDWYOZ-CYBMUJFWSA-N	0	0	190.286	3.003	10	0		AGAERN
CC1(C)CCCC[C@]1(O)C1CCC1	161253213	344187479	/nfs/dbraw/zinc/18/74/79/344187479.db2.gz	ZNACCQJDECBSFZ-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
CCc1ccccc1[C@@H](O)C1CCC1	161229773	344187606	/nfs/dbraw/zinc/18/76/06/344187606.db2.gz	QERRBDMMUAHBIN-ZDUSSCGKSA-N	0	0	190.286	3.083	10	0		AGAERN
Cc1cccc(C)c1[C@H](O)C1CCC1	161270781	344188201	/nfs/dbraw/zinc/18/82/01/344188201.db2.gz	KXDQIMKOLKOWPB-CYBMUJFWSA-N	0	0	190.286	3.137	10	0		AGAERN
CC(C)[C@@H]1CCCC[C@]1(O)C1CCC1	161270283	344188227	/nfs/dbraw/zinc/18/82/27/344188227.db2.gz	FDWKCLXYQNUEQH-STQMWFEESA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)[C@@H]1CCCC[C@@]1(O)C1CCC1	161270511	344188293	/nfs/dbraw/zinc/18/82/93/344188293.db2.gz	FDWKCLXYQNUEQH-QWHCGFSZSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1cccc(C)c1[C@@H](O)C1CCC1	161270888	344188407	/nfs/dbraw/zinc/18/84/07/344188407.db2.gz	KXDQIMKOLKOWPB-ZDUSSCGKSA-N	0	0	190.286	3.137	10	0		AGAERN
Cc1cscc1C(=O)C1CCC1	161301879	344188696	/nfs/dbraw/zinc/18/86/96/344188696.db2.gz	HRMCLECSVAECFC-UHFFFAOYSA-N	0	0	180.272	3.039	10	0		AGAERN
Cc1ccc(C(=O)C2CCC2)cc1F	161284669	344188786	/nfs/dbraw/zinc/18/87/86/344188786.db2.gz	YZHQCCMGLWNMFS-UHFFFAOYSA-N	0	0	192.233	3.117	10	0		AGAERN
CCC(=O)c1cccc(F)c1Cl	161374777	344190254	/nfs/dbraw/zinc/19/02/54/344190254.db2.gz	PVDRAQLUUIVGIO-UHFFFAOYSA-N	0	0	186.613	3.072	10	0		AGAERN
O=C(CC1CCCCC1)C1CCC1	161367546	344190398	/nfs/dbraw/zinc/19/03/98/344190398.db2.gz	XJUDPDFUYGGYIR-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
C[C@H]1C[C@@H]1C(=O)CC1CCCCC1	161516603	344192306	/nfs/dbraw/zinc/19/23/06/344192306.db2.gz	MKAHFDDGXMMHPB-ONGXEEELSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@H]1C[C@H]1C(=O)CC1CCCCC1	161516858	344192635	/nfs/dbraw/zinc/19/26/35/344192635.db2.gz	MKAHFDDGXMMHPB-GXSJLCMTSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1C[C@H]1C(=O)CC1CCCCC1	161516730	344192655	/nfs/dbraw/zinc/19/26/55/344192655.db2.gz	MKAHFDDGXMMHPB-MWLCHTKSSA-N	0	0	180.291	3.182	10	0		AGAERN
CC(C)Cc1nc(N)sc1C(C)C	161573598	344193958	/nfs/dbraw/zinc/19/39/58/344193958.db2.gz	ZWXWDYWCRDMOIU-UHFFFAOYSA-N	0	0	198.335	3.047	10	0		AGAERN
Cc1cc(C=O)ccc1CC(C)C	161632542	344195473	/nfs/dbraw/zinc/19/54/73/344195473.db2.gz	WXQLGFXVOHWZNR-UHFFFAOYSA-N	0	0	176.259	3.006	10	0		AGAERN
Cc1cc(C=O)ccc1-c1ccoc1	161633705	344195488	/nfs/dbraw/zinc/19/54/88/344195488.db2.gz	NWULNIHQYAAPPE-UHFFFAOYSA-N	0	0	186.210	3.068	10	0		AGAERN
Cc1cncn1[C@@H]1CCC[C@@H](C)[C@@H]1C	161803538	344197937	/nfs/dbraw/zinc/19/79/37/344197937.db2.gz	LRSYHDPFOCRGJI-ADEWGFFLSA-N	0	0	192.306	3.189	10	0		AGAERN
Cc1cncn1[C@@H]1CCC[C@H](C)[C@@H]1C	161803271	344198066	/nfs/dbraw/zinc/19/80/66/344198066.db2.gz	LRSYHDPFOCRGJI-ZMLRMANQSA-N	0	0	192.306	3.189	10	0		AGAERN
C[C@H]1CNc2cc(Cl)ccc2S1	161861023	344199405	/nfs/dbraw/zinc/19/94/05/344199405.db2.gz	NGXNXUGIFPKVAU-LURJTMIESA-N	0	0	199.706	3.246	10	0		AGAERN
C[C@H](O)c1cc2cc(F)ccc2s1	162263159	344205881	/nfs/dbraw/zinc/20/58/81/344205881.db2.gz	VKUFBQROFCGTAP-LURJTMIESA-N	0	0	196.246	3.094	10	0		AGAERN
C[C@@H](O)c1cc2cc(F)ccc2s1	162263283	344205974	/nfs/dbraw/zinc/20/59/74/344205974.db2.gz	VKUFBQROFCGTAP-ZCFIWIBFSA-N	0	0	196.246	3.094	10	0		AGAERN
CCc1cccc(C(=O)[C@@H]2C[C@H]2C)c1	162359506	344206816	/nfs/dbraw/zinc/20/68/16/344206816.db2.gz	IGWHWXFPYNIDLR-BXKDBHETSA-N	0	0	188.270	3.088	10	0		AGAERN
CCc1cccc(C(=O)[C@@H]2C[C@@H]2C)c1	162359249	344206882	/nfs/dbraw/zinc/20/68/82/344206882.db2.gz	IGWHWXFPYNIDLR-JOYOIKCWSA-N	0	0	188.270	3.088	10	0		AGAERN
CCc1cccc(C(=O)[C@H]2C[C@@H]2C)c1	162359396	344207052	/nfs/dbraw/zinc/20/70/52/344207052.db2.gz	IGWHWXFPYNIDLR-CABZTGNLSA-N	0	0	188.270	3.088	10	0		AGAERN
CCc1cccc(C(=O)[C@H]2C[C@H]2C)c1	162359641	344207094	/nfs/dbraw/zinc/20/70/94/344207094.db2.gz	IGWHWXFPYNIDLR-SKDRFNHKSA-N	0	0	188.270	3.088	10	0		AGAERN
CNc1ncc(C2CCCCC2)s1	162407021	344207552	/nfs/dbraw/zinc/20/75/52/344207552.db2.gz	JDRDDNBILHTTTE-UHFFFAOYSA-N	0	0	196.319	3.233	10	0		AGAERN
CCNc1ncc([C@@H](C)CC)s1	162413907	344208059	/nfs/dbraw/zinc/20/80/59/344208059.db2.gz	DHLNUINRYUBTCQ-ZETCQYMHSA-N	0	0	184.308	3.088	10	0		AGAERN
CCNc1ncc(C2CCCC2)s1	162416087	344208091	/nfs/dbraw/zinc/20/80/91/344208091.db2.gz	PCNZLLSUPPNIQG-UHFFFAOYSA-N	0	0	196.319	3.233	10	0		AGAERN
C[C@H]1CNc2ccc(Cl)cc2S1	162431695	344208362	/nfs/dbraw/zinc/20/83/62/344208362.db2.gz	RBBQBAMJLZBODM-LURJTMIESA-N	0	0	199.706	3.246	10	0		AGAERN
C[C@@H]1CNc2ccc(Cl)cc2S1	162431559	344208368	/nfs/dbraw/zinc/20/83/68/344208368.db2.gz	RBBQBAMJLZBODM-ZCFIWIBFSA-N	0	0	199.706	3.246	10	0		AGAERN
C[C@H]1CNc2c(Cl)cccc2S1	162429754	344208426	/nfs/dbraw/zinc/20/84/26/344208426.db2.gz	WFDVHNLPSRTSKP-LURJTMIESA-N	0	0	199.706	3.246	10	0		AGAERN
C[C@@H]1CNc2c(Cl)cccc2S1	162429633	344208544	/nfs/dbraw/zinc/20/85/44/344208544.db2.gz	WFDVHNLPSRTSKP-ZCFIWIBFSA-N	0	0	199.706	3.246	10	0		AGAERN
Cc1cncc(C(=O)CC(C)(C)C)c1	162557855	344209937	/nfs/dbraw/zinc/20/99/37/344209937.db2.gz	APZYWEREUYNVCF-UHFFFAOYSA-N	0	0	191.274	3.009	10	0		AGAERN
CC[C@@H]1CNc2c(F)cccc2S1	162711056	344212155	/nfs/dbraw/zinc/21/21/55/344212155.db2.gz	PNVDVLNFEZXPKH-SSDOTTSWSA-N	0	0	197.278	3.122	10	0		AGAERN
CC[C@@H]1CNc2cccc(C)c2S1	162709018	344212171	/nfs/dbraw/zinc/21/21/71/344212171.db2.gz	GZECYPUHOLQPGD-SECBINFHSA-N	0	0	193.315	3.291	10	0		AGAERN
CC[C@H]1CNc2c(F)cccc2S1	162711171	344212185	/nfs/dbraw/zinc/21/21/85/344212185.db2.gz	PNVDVLNFEZXPKH-ZETCQYMHSA-N	0	0	197.278	3.122	10	0		AGAERN
CC[C@H]1CNc2ccc(C)cc2S1	162707241	344212244	/nfs/dbraw/zinc/21/22/44/344212244.db2.gz	KZZFYYDHZFHCJN-VIFPVBQESA-N	0	0	193.315	3.291	10	0		AGAERN
CC[C@H]1CNc2cccc(C)c2S1	162709137	344212287	/nfs/dbraw/zinc/21/22/87/344212287.db2.gz	GZECYPUHOLQPGD-VIFPVBQESA-N	0	0	193.315	3.291	10	0		AGAERN
CC[C@H]1CNc2cc(F)ccc2S1	162715091	344212580	/nfs/dbraw/zinc/21/25/80/344212580.db2.gz	SOCAVYWXUQMJTO-QMMMGPOBSA-N	0	0	197.278	3.122	10	0		AGAERN
CC1(C)CNc2ccc(F)cc2S1	162729776	344212619	/nfs/dbraw/zinc/21/26/19/344212619.db2.gz	RXDSSLWXHLQRAP-UHFFFAOYSA-N	0	0	197.278	3.122	10	0		AGAERN
Cc1ccc2c(c1)SC(C)(C)CN2	162727413	344212658	/nfs/dbraw/zinc/21/26/58/344212658.db2.gz	BSTKFOYPOMQYAZ-UHFFFAOYSA-N	0	0	193.315	3.291	10	0		AGAERN
CC[C@@H]1CNc2cc(F)ccc2S1	162714941	344212673	/nfs/dbraw/zinc/21/26/73/344212673.db2.gz	SOCAVYWXUQMJTO-MRVPVSSYSA-N	0	0	197.278	3.122	10	0		AGAERN
CC[C@@H]1CNc2ccc(F)cc2S1	162711312	344212683	/nfs/dbraw/zinc/21/26/83/344212683.db2.gz	UBFPHNNEOJBCOH-MRVPVSSYSA-N	0	0	197.278	3.122	10	0		AGAERN
Cc1ccc2c(c1)NCC(C)(C)S2	162732099	344212697	/nfs/dbraw/zinc/21/26/97/344212697.db2.gz	XFRAJZUYLCSQTC-UHFFFAOYSA-N	0	0	193.315	3.291	10	0		AGAERN
CC1(C)CNc2c(F)cccc2S1	162729643	344212708	/nfs/dbraw/zinc/21/27/08/344212708.db2.gz	CNDFLJOHRLFXCV-UHFFFAOYSA-N	0	0	197.278	3.122	10	0		AGAERN
CC[C@H]1CNc2cc(C)ccc2S1	162716168	344212715	/nfs/dbraw/zinc/21/27/15/344212715.db2.gz	LHTHZDHPTGNQHP-VIFPVBQESA-N	0	0	193.315	3.291	10	0		AGAERN
CC1(C)CNc2cc(F)ccc2S1	162731571	344212721	/nfs/dbraw/zinc/21/27/21/344212721.db2.gz	ZAEMMDWXLAMVBS-UHFFFAOYSA-N	0	0	197.278	3.122	10	0		AGAERN
Cc1cccc2c1SC[C@@H](C)CN2	162735108	344213004	/nfs/dbraw/zinc/21/30/04/344213004.db2.gz	BPDZOQPWAHACLF-QMMMGPOBSA-N	0	0	193.315	3.149	10	0		AGAERN
Cc1cccc2c1S[C@H](C)CCN2	162745270	344213056	/nfs/dbraw/zinc/21/30/56/344213056.db2.gz	OHEOOPVLFATTMA-SECBINFHSA-N	0	0	193.315	3.291	10	0		AGAERN
Cc1ccc2c(c1)NC[C@H](C)CS2	162741459	344213100	/nfs/dbraw/zinc/21/31/00/344213100.db2.gz	LSEKSFBBDRNNRZ-VIFPVBQESA-N	0	0	193.315	3.149	10	0		AGAERN
C[C@H]1CCNc2c(F)cccc2S1	162747485	344213123	/nfs/dbraw/zinc/21/31/23/344213123.db2.gz	BSSOGJNFUCALFQ-ZETCQYMHSA-N	0	0	197.278	3.122	10	0		AGAERN
C[C@@H]1CCNc2c(F)cccc2S1	162747360	344213144	/nfs/dbraw/zinc/21/31/44/344213144.db2.gz	BSSOGJNFUCALFQ-SSDOTTSWSA-N	0	0	197.278	3.122	10	0		AGAERN
Cc1ccc2c(c1)NC[C@@H](C)CS2	162741540	344213166	/nfs/dbraw/zinc/21/31/66/344213166.db2.gz	LSEKSFBBDRNNRZ-SECBINFHSA-N	0	0	193.315	3.149	10	0		AGAERN
Cc1ccc2c(c1)S[C@H](C)CCN2	162743542	344213212	/nfs/dbraw/zinc/21/32/12/344213212.db2.gz	RUTCKUYGFYMQNG-SECBINFHSA-N	0	0	193.315	3.291	10	0		AGAERN
Cc1ccc(C)c(C(F)F)c1F	162736147	344213220	/nfs/dbraw/zinc/21/32/20/344213220.db2.gz	VSPWOZJZTWUGQM-UHFFFAOYSA-N	0	0	174.165	3.380	10	0		AGAERN
Cc1cccc2c1SC[C@H](C)CN2	162734994	344213223	/nfs/dbraw/zinc/21/32/23/344213223.db2.gz	BPDZOQPWAHACLF-MRVPVSSYSA-N	0	0	193.315	3.149	10	0		AGAERN
C[C@@H]1CCNc2cc(F)ccc2S1	162750655	344213239	/nfs/dbraw/zinc/21/32/39/344213239.db2.gz	XNJFZRJDFOEUPK-SSDOTTSWSA-N	0	0	197.278	3.122	10	0		AGAERN
Cc1cccc2c1S[C@@H](C)CCN2	162745390	344213245	/nfs/dbraw/zinc/21/32/45/344213245.db2.gz	OHEOOPVLFATTMA-VIFPVBQESA-N	0	0	193.315	3.291	10	0		AGAERN
C[C@@H]1CCNc2ccc(F)cc2S1	162747619	344213252	/nfs/dbraw/zinc/21/32/52/344213252.db2.gz	MMBADZUGWBBNFX-SSDOTTSWSA-N	0	0	197.278	3.122	10	0		AGAERN
C[C@H]1CCNc2cc(F)ccc2S1	162750777	344213258	/nfs/dbraw/zinc/21/32/58/344213258.db2.gz	XNJFZRJDFOEUPK-ZETCQYMHSA-N	0	0	197.278	3.122	10	0		AGAERN
Cc1ccc2c(c1)S[C@@H](C)CCN2	162743641	344213260	/nfs/dbraw/zinc/21/32/60/344213260.db2.gz	RUTCKUYGFYMQNG-VIFPVBQESA-N	0	0	193.315	3.291	10	0		AGAERN
Cc1ccc2c(c1)NCC[C@@H](C)S2	162751768	344213529	/nfs/dbraw/zinc/21/35/29/344213529.db2.gz	XVDDRCMOCBPLFY-SECBINFHSA-N	0	0	193.315	3.291	10	0		AGAERN
Cc1csc(N[C@@H](C)C(C)(C)C)n1	162845972	344214698	/nfs/dbraw/zinc/21/46/98/344214698.db2.gz	ONAGKTBMNWTSFH-QMMMGPOBSA-N	0	0	198.335	3.298	10	0		AGAERN
Cc1csc(N[C@H](C)C(C)(C)C)n1	162846065	344214711	/nfs/dbraw/zinc/21/47/11/344214711.db2.gz	ONAGKTBMNWTSFH-MRVPVSSYSA-N	0	0	198.335	3.298	10	0		AGAERN
C[C@H](Nc1ccc(F)cn1)C(C)(C)C	162842085	344214722	/nfs/dbraw/zinc/21/47/22/344214722.db2.gz	KNYOFIGJKKHZDO-QMMMGPOBSA-N	0	0	196.269	3.067	10	0		AGAERN
Cc1c[nH]c(=S)n1[C@H](C)C(C)(C)C	162869740	344215224	/nfs/dbraw/zinc/21/52/24/344215224.db2.gz	UOAHQMLDPHMLBU-MRVPVSSYSA-N	0	0	198.335	3.087	10	0		AGAERN
Cc1c[nH]c(=S)n1[C@@H](C)C(C)(C)C	162869606	344215237	/nfs/dbraw/zinc/21/52/37/344215237.db2.gz	UOAHQMLDPHMLBU-QMMMGPOBSA-N	0	0	198.335	3.087	10	0		AGAERN
C[C@H](Nc1cccc(F)n1)C(C)(C)C	162875728	344215454	/nfs/dbraw/zinc/21/54/54/344215454.db2.gz	JWDFBQREFCQQPE-QMMMGPOBSA-N	0	0	196.269	3.067	10	0		AGAERN
Cc1cn([C@H](C)C(C)(C)C)c(=S)[nH]1	162870230	344215464	/nfs/dbraw/zinc/21/54/64/344215464.db2.gz	STRDYNCHYKYTMP-MRVPVSSYSA-N	0	0	198.335	3.087	10	0		AGAERN
C[C@@H](Nc1cccc(F)n1)C(C)(C)C	162875828	344215599	/nfs/dbraw/zinc/21/55/99/344215599.db2.gz	JWDFBQREFCQQPE-MRVPVSSYSA-N	0	0	196.269	3.067	10	0		AGAERN
Cc1cn([C@@H](C)C(C)(C)C)c(=S)[nH]1	162870114	344215962	/nfs/dbraw/zinc/21/59/62/344215962.db2.gz	STRDYNCHYKYTMP-QMMMGPOBSA-N	0	0	198.335	3.087	10	0		AGAERN
c1cncc(OC2CCCCCC2)c1	163008495	344217567	/nfs/dbraw/zinc/21/75/67/344217567.db2.gz	ZIIVQPJDTYTMLK-UHFFFAOYSA-N	0	0	191.274	3.183	10	0		AGAERN
CC1CCC(Oc2cccnc2)CC1	163009536	344217632	/nfs/dbraw/zinc/21/76/32/344217632.db2.gz	WVBTUPLZEZIVFE-UHFFFAOYSA-N	0	0	191.274	3.039	10	0		AGAERN
c1cncc(OCC2CCCCC2)c1	163011939	344217851	/nfs/dbraw/zinc/21/78/51/344217851.db2.gz	UVDSDADCNQGEIU-UHFFFAOYSA-N	0	0	191.274	3.041	10	0		AGAERN
C[C@H]1C[C@@H]1C(=O)C1CCCCCC1	163034859	344218612	/nfs/dbraw/zinc/21/86/12/344218612.db2.gz	QYXGKNSNDBOUJV-ONGXEEELSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1C[C@@H]1C(=O)C1CCCCCC1	163034759	344218697	/nfs/dbraw/zinc/21/86/97/344218697.db2.gz	QYXGKNSNDBOUJV-KOLCDFICSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1C[C@H]1C(=O)C1CCCCCC1	163034966	344218845	/nfs/dbraw/zinc/21/88/45/344218845.db2.gz	QYXGKNSNDBOUJV-MWLCHTKSSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@H]1C[C@H]1C(=O)C1CCCCCC1	163035064	344218887	/nfs/dbraw/zinc/21/88/87/344218887.db2.gz	QYXGKNSNDBOUJV-GXSJLCMTSA-N	0	0	180.291	3.182	10	0		AGAERN
C=COC1CCC(C)(C)CC1	163211552	344220321	/nfs/dbraw/zinc/22/03/21/344220321.db2.gz	MIRVJXUBGNUQJG-UHFFFAOYSA-N	0	0	154.253	3.115	10	0		AGAERN
Cc1ccc(C(=O)[C@@H](C)C2CC2)cc1	163378798	344222353	/nfs/dbraw/zinc/22/23/53/344222353.db2.gz	VWBLQUGDCBNONM-JTQLQIEISA-N	0	0	188.270	3.224	10	0		AGAERN
Cc1ccc(C(=O)[C@H](C)C2CC2)cc1	163378917	344222657	/nfs/dbraw/zinc/22/26/57/344222657.db2.gz	VWBLQUGDCBNONM-SNVBAGLBSA-N	0	0	188.270	3.224	10	0		AGAERN
Cc1cc(C(=O)[C@H](C)C2CC2)c(C)o1	163393817	344222859	/nfs/dbraw/zinc/22/28/59/344222859.db2.gz	FPPTUVPPSWZNOD-MRVPVSSYSA-N	0	0	192.258	3.125	10	0		AGAERN
Cc1cc(C(=O)[C@@H](C)C2CC2)c(C)o1	163393727	344222915	/nfs/dbraw/zinc/22/29/15/344222915.db2.gz	FPPTUVPPSWZNOD-QMMMGPOBSA-N	0	0	192.258	3.125	10	0		AGAERN
Cc1c(Cl)n[nH]c1-c1ccccc1	163533124	344224383	/nfs/dbraw/zinc/22/43/83/344224383.db2.gz	UNWOYURJPCKEGL-UHFFFAOYSA-N	0	0	192.649	3.039	10	0		AGAERN
CC(C)c1cc(O)cc(C(C)C)c1N	163572575	344224975	/nfs/dbraw/zinc/22/49/75/344224975.db2.gz	IGACATZUSHRAIY-UHFFFAOYSA-N	0	0	193.290	3.221	10	0		AGAERN
C[C@@H](CNc1ccccc1)C1CC1	163569880	344225152	/nfs/dbraw/zinc/22/51/52/344225152.db2.gz	KYHLVDIKBQMVTA-JTQLQIEISA-N	0	0	175.275	3.145	10	0		AGAERN
C[C@H](CNc1ccccc1)C1CC1	163570007	344225375	/nfs/dbraw/zinc/22/53/75/344225375.db2.gz	KYHLVDIKBQMVTA-SNVBAGLBSA-N	0	0	175.275	3.145	10	0		AGAERN
C[C@@H](c1nc2ccccc2[nH]1)C1CC1	163716912	344227858	/nfs/dbraw/zinc/22/78/58/344227858.db2.gz	NGAKZTPZJGYXLX-MRVPVSSYSA-N	0	0	186.258	3.076	10	0		AGAERN
C[C@H](c1nc2ccccc2[nH]1)C1CC1	163717027	344228033	/nfs/dbraw/zinc/22/80/33/344228033.db2.gz	NGAKZTPZJGYXLX-QMMMGPOBSA-N	0	0	186.258	3.076	10	0		AGAERN
Nc1ncc(C2CCCCCC2)s1	163733900	344228325	/nfs/dbraw/zinc/22/83/25/344228325.db2.gz	PDUQTULXLBADBP-UHFFFAOYSA-N	0	0	196.319	3.163	10	0		AGAERN
Cc1ccc([C@H](O)[C@H](C)C2CC2)cc1	163883294	344232115	/nfs/dbraw/zinc/23/21/15/344232115.db2.gz	WEKAADVFYQSIKA-ZWNOBZJWSA-N	0	0	190.286	3.075	10	0		AGAERN
Cc1ccc([C@H](O)[C@@H](C)C2CC2)cc1	163883158	344232130	/nfs/dbraw/zinc/23/21/30/344232130.db2.gz	WEKAADVFYQSIKA-GXFFZTMASA-N	0	0	190.286	3.075	10	0		AGAERN
Cc1ccc([C@@H](O)[C@@H](C)C2CC2)cc1	163883217	344232328	/nfs/dbraw/zinc/23/23/28/344232328.db2.gz	WEKAADVFYQSIKA-GWCFXTLKSA-N	0	0	190.286	3.075	10	0		AGAERN
Cc1ccc([C@@H](O)[C@H](C)C2CC2)cc1	163883406	344232413	/nfs/dbraw/zinc/23/24/13/344232413.db2.gz	WEKAADVFYQSIKA-MFKMUULPSA-N	0	0	190.286	3.075	10	0		AGAERN
Cc1ccsc1[C@@H](O)[C@H](C)C1CC1	163910908	344233123	/nfs/dbraw/zinc/23/31/23/344233123.db2.gz	XWMFKNIDNOCOGW-SCZZXKLOSA-N	0	0	196.315	3.136	10	0		AGAERN
Cc1ccsc1[C@H](O)[C@H](C)C1CC1	163910818	344233341	/nfs/dbraw/zinc/23/33/41/344233341.db2.gz	XWMFKNIDNOCOGW-PSASIEDQSA-N	0	0	196.315	3.136	10	0		AGAERN
Cc1ccsc1[C@@H](O)[C@@H](C)C1CC1	163910718	344233274	/nfs/dbraw/zinc/23/32/74/344233274.db2.gz	XWMFKNIDNOCOGW-WPRPVWTQSA-N	0	0	196.315	3.136	10	0		AGAERN
Cc1ccsc1[C@H](O)[C@@H](C)C1CC1	163910597	344233437	/nfs/dbraw/zinc/23/34/37/344233437.db2.gz	XWMFKNIDNOCOGW-WCBMZHEXSA-N	0	0	196.315	3.136	10	0		AGAERN
CCCC(=O)c1ccccc1SC	164035102	344235375	/nfs/dbraw/zinc/23/53/75/344235375.db2.gz	BFLQJAHALRCLRK-UHFFFAOYSA-N	0	0	194.299	3.391	10	0		AGAERN
C[C@@](O)(CC1CC1)C1CCCCC1	164100197	344236943	/nfs/dbraw/zinc/23/69/43/344236943.db2.gz	ZSKLDAGHXXVAOB-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@](O)(CC1CC1)C1CCCCC1	164100305	344237009	/nfs/dbraw/zinc/23/70/09/344237009.db2.gz	ZSKLDAGHXXVAOB-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@@H](O)c1ccc(C2CCC2)cc1	164128882	344237258	/nfs/dbraw/zinc/23/72/58/344237258.db2.gz	LURWEPWUJLJKNY-SECBINFHSA-N	0	0	176.259	3.007	10	0		AGAERN
C[C@H](O)c1ccc(C2CCC2)cc1	164128760	344237509	/nfs/dbraw/zinc/23/75/09/344237509.db2.gz	LURWEPWUJLJKNY-VIFPVBQESA-N	0	0	176.259	3.007	10	0		AGAERN
CSC[C@@H]1CCc2ccccc21	164335316	344242272	/nfs/dbraw/zinc/24/22/72/344242272.db2.gz	RCZOECLCZWUZLJ-JTQLQIEISA-N	0	0	178.300	3.079	10	0		AGAERN
Cc1cnc(CCC(C)C)s1	164753852	344251280	/nfs/dbraw/zinc/25/12/80/344251280.db2.gz	PHXVCIWBAGGSIN-UHFFFAOYSA-N	0	0	169.293	3.040	10	0		AGAERN
C=CC(=C)C(=C)C(=C)C=C	164474699	344245536	/nfs/dbraw/zinc/24/55/36/344245536.db2.gz	XEZCEXNNZGLEHB-UHFFFAOYSA-N	0	0	132.206	3.027	10	0		AGAERN
Cc1csc(-c2cscc2C)n1	164679424	344249555	/nfs/dbraw/zinc/24/95/55/344249555.db2.gz	NXFRMRRJTFQTLR-UHFFFAOYSA-N	0	0	195.312	3.488	10	0		AGAERN
CC[C@H]1CC[C@@H](c2nccs2)C1	164699516	344249935	/nfs/dbraw/zinc/24/99/35/344249935.db2.gz	QKKVXXMYNVWLLC-DTWKUNHWSA-N	0	0	181.304	3.437	10	0		AGAERN
Cc1ccccc1Cc1nccs1	164701140	344249939	/nfs/dbraw/zinc/24/99/39/344249939.db2.gz	GCDFDCRBUUQGBM-UHFFFAOYSA-N	0	0	189.283	3.042	10	0		AGAERN
Fc1ccc(-c2nccs2)cc1F	164700091	344250018	/nfs/dbraw/zinc/25/00/18/344250018.db2.gz	IVNZMXKWNRPLKD-UHFFFAOYSA-N	0	0	197.209	3.088	10	0		AGAERN
CC[C@@H]1CC[C@@H](c2nccs2)C1	164699399	344250039	/nfs/dbraw/zinc/25/00/39/344250039.db2.gz	QKKVXXMYNVWLLC-RKDXNWHRSA-N	0	0	181.304	3.437	10	0		AGAERN
CC[C@@H]1CC[C@H](c2nccs2)C1	164699163	344250045	/nfs/dbraw/zinc/25/00/45/344250045.db2.gz	QKKVXXMYNVWLLC-BDAKNGLRSA-N	0	0	181.304	3.437	10	0		AGAERN
Cc1cc(F)cc(-c2nccs2)c1	164695299	344250066	/nfs/dbraw/zinc/25/00/66/344250066.db2.gz	XBTXIWFITZHBFK-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
CC[C@H]1CC[C@H](c2nccs2)C1	164699283	344250095	/nfs/dbraw/zinc/25/00/95/344250095.db2.gz	QKKVXXMYNVWLLC-IUCAKERBSA-N	0	0	181.304	3.437	10	0		AGAERN
CC(C)c1csc(C2(C)CC2)n1	164707829	344250375	/nfs/dbraw/zinc/25/03/75/344250375.db2.gz	GFHBQEJZWDXEKE-UHFFFAOYSA-N	0	0	181.304	3.318	10	0		AGAERN
CCc1csc([C@H]2CCCS2)n1	164720024	344250438	/nfs/dbraw/zinc/25/04/38/344250438.db2.gz	XHGWXMHWHRPBAZ-MRVPVSSYSA-N	0	0	199.344	3.274	10	0		AGAERN
CCc1csc(CC(C)(C)C)n1	164722024	344250585	/nfs/dbraw/zinc/25/05/85/344250585.db2.gz	MWMPRNCNNDGQDJ-UHFFFAOYSA-N	0	0	183.320	3.294	10	0		AGAERN
Cc1cnc(-c2ccccc2C)s1	164738475	344250833	/nfs/dbraw/zinc/25/08/33/344250833.db2.gz	OKWMGEWWCAUNPL-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
CCCc1csc([C@@H]2C[C@@H]2C)n1	164730425	344250857	/nfs/dbraw/zinc/25/08/57/344250857.db2.gz	PRAJMJCFCDJKIZ-IONNQARKSA-N	0	0	181.304	3.219	10	0		AGAERN
C[C@@]1(C(=O)C2CCCC2)CCCS1	164737013	344250903	/nfs/dbraw/zinc/25/09/03/344250903.db2.gz	MOCFIIVARBFVSL-NSHDSACASA-N	0	0	198.331	3.031	10	0		AGAERN
Cc1cnc([C@@H]2CC[C@H](C)C2)s1	164739516	344250925	/nfs/dbraw/zinc/25/09/25/344250925.db2.gz	IZOLGHXYNWIZAC-IONNQARKSA-N	0	0	181.304	3.355	10	0		AGAERN
Cc1cnc([C@@H]2CC[C@@H](C)C2)s1	164739764	344250964	/nfs/dbraw/zinc/25/09/64/344250964.db2.gz	IZOLGHXYNWIZAC-VXNVDRBHSA-N	0	0	181.304	3.355	10	0		AGAERN
CCCc1csc([C@@H]2C[C@H]2C)n1	164730678	344250971	/nfs/dbraw/zinc/25/09/71/344250971.db2.gz	PRAJMJCFCDJKIZ-VXNVDRBHSA-N	0	0	181.304	3.219	10	0		AGAERN
Cc1cnc([C@H]2CC[C@H](C)C2)s1	164739637	344250993	/nfs/dbraw/zinc/25/09/93/344250993.db2.gz	IZOLGHXYNWIZAC-CBAPKCEASA-N	0	0	181.304	3.355	10	0		AGAERN
CCCc1csc([C@H]2C[C@H]2C)n1	164730801	344251001	/nfs/dbraw/zinc/25/10/01/344251001.db2.gz	PRAJMJCFCDJKIZ-APPZFPTMSA-N	0	0	181.304	3.219	10	0		AGAERN
C[C@]1(C(=O)C2CCCC2)CCCS1	164736903	344251041	/nfs/dbraw/zinc/25/10/41/344251041.db2.gz	MOCFIIVARBFVSL-LLVKDONJSA-N	0	0	198.331	3.031	10	0		AGAERN
Cc1cnc([C@H]2CC[C@@H](C)C2)s1	164739888	344251085	/nfs/dbraw/zinc/25/10/85/344251085.db2.gz	IZOLGHXYNWIZAC-APPZFPTMSA-N	0	0	181.304	3.355	10	0		AGAERN
Cc1cnc([C@H]2CCCCS2)s1	164754834	344251251	/nfs/dbraw/zinc/25/12/51/344251251.db2.gz	BLDAEZQNWUVBRD-MRVPVSSYSA-N	0	0	199.344	3.410	10	0		AGAERN
Cc1cnc([C@@H]2CCCS2)s1	164741036	344251419	/nfs/dbraw/zinc/25/14/19/344251419.db2.gz	ZHEOYXGOWUARMJ-ZETCQYMHSA-N	0	0	185.317	3.020	10	0		AGAERN
Cc1cnc([C@H]2CCCS2)s1	164741150	344251424	/nfs/dbraw/zinc/25/14/24/344251424.db2.gz	ZHEOYXGOWUARMJ-SSDOTTSWSA-N	0	0	185.317	3.020	10	0		AGAERN
Cc1cnc([C@@H]2CCCCS2)s1	164754717	344251464	/nfs/dbraw/zinc/25/14/64/344251464.db2.gz	BLDAEZQNWUVBRD-QMMMGPOBSA-N	0	0	199.344	3.410	10	0		AGAERN
CCc1cnc(CC(C)(C)C)s1	164766931	344251934	/nfs/dbraw/zinc/25/19/34/344251934.db2.gz	LETZBMBADVTFEB-UHFFFAOYSA-N	0	0	183.320	3.294	10	0		AGAERN
CCc1cnc([C@H]2CCCS2)s1	164763968	344251936	/nfs/dbraw/zinc/25/19/36/344251936.db2.gz	GVXQRKYINJYRCC-MRVPVSSYSA-N	0	0	199.344	3.274	10	0		AGAERN
CCc1cnc(-c2cccs2)s1	164766431	344251963	/nfs/dbraw/zinc/25/19/63/344251963.db2.gz	CTJKZKSZYGONJA-UHFFFAOYSA-N	0	0	195.312	3.434	10	0		AGAERN
CCc1cnc([C@@H]2CCCS2)s1	164763865	344251996	/nfs/dbraw/zinc/25/19/96/344251996.db2.gz	GVXQRKYINJYRCC-QMMMGPOBSA-N	0	0	199.344	3.274	10	0		AGAERN
CSCc1ncc(C(C)C)s1	164781832	344252113	/nfs/dbraw/zinc/25/21/13/344252113.db2.gz	IBTUGCBYIAEECM-UHFFFAOYSA-N	0	0	187.333	3.130	10	0		AGAERN
CC(C)c1cnc(C2CC2)s1	164783212	344252120	/nfs/dbraw/zinc/25/21/20/344252120.db2.gz	QRVKLDVCNKDPLO-UHFFFAOYSA-N	0	0	167.277	3.144	10	0		AGAERN
COC(C)(C)c1ncc(C(C)C)s1	164787435	344252244	/nfs/dbraw/zinc/25/22/44/344252244.db2.gz	PQHOKTHEWIYZCJ-UHFFFAOYSA-N	0	0	199.319	3.148	10	0		AGAERN
CC(C)c1cnc(CC2CC2)s1	164787710	344252400	/nfs/dbraw/zinc/25/24/00/344252400.db2.gz	ACOUANWSTMZQRW-UHFFFAOYSA-N	0	0	181.304	3.219	10	0		AGAERN
CC(C)c1cccc(N)c1Cl	164893260	344254379	/nfs/dbraw/zinc/25/43/79/344254379.db2.gz	DPQJKTJYCAUYJD-UHFFFAOYSA-N	0	0	169.655	3.046	10	0		AGAERN
Cc1ccc(C=O)cc1-c1ccoc1	164936610	344255272	/nfs/dbraw/zinc/25/52/72/344255272.db2.gz	FEKAGVZDEMEPOJ-UHFFFAOYSA-N	0	0	186.210	3.068	10	0		AGAERN
CCc1ncc(C(C)(C)C)s1	164969072	344256026	/nfs/dbraw/zinc/25/60/26/344256026.db2.gz	FZMKRQFTWDCLQF-UHFFFAOYSA-N	0	0	169.293	3.003	10	0		AGAERN
C=CSc1ccccc1C	164991105	344256748	/nfs/dbraw/zinc/25/67/48/344256748.db2.gz	RBKYIOBKUKIPSH-UHFFFAOYSA-N	0	0	150.246	3.231	10	0		AGAERN
CNc1c(Cl)cc(F)cc1Cl	165059793	344257588	/nfs/dbraw/zinc/25/75/88/344257588.db2.gz	URVOSYOOVREPLE-UHFFFAOYSA-N	0	0	194.036	3.174	10	0		AGAERN
CC(C)(C)Nc1nc(Cl)cs1	165094307	344257867	/nfs/dbraw/zinc/25/78/67/344257867.db2.gz	BMZWMJOKHKXFFE-UHFFFAOYSA-N	0	0	190.699	3.007	10	0		AGAERN
CCCSc1nc(Cl)cs1	165246166	344260423	/nfs/dbraw/zinc/26/04/23/344260423.db2.gz	ZBWPLNZRLMSDAU-UHFFFAOYSA-N	0	0	193.724	3.299	10	0		AGAERN
CC(C)Sc1nc(Cl)cs1	165259457	344260973	/nfs/dbraw/zinc/26/09/73/344260973.db2.gz	MRWNMRJGOZUJBS-UHFFFAOYSA-N	0	0	193.724	3.297	10	0		AGAERN
C/C=C\C[C@H]1Cc2ccccc2C1=O	165754619	344268886	/nfs/dbraw/zinc/26/88/86/344268886.db2.gz	KJHKPUAQPBUOEB-QUCGXOGASA-N	0	0	186.254	3.008	10	0		AGAERN
C/C(F)=C/c1ccccc1	165826945	344270799	/nfs/dbraw/zinc/27/07/99/344270799.db2.gz	IIDYMWCSGJGHND-FPLPWBNLSA-N	0	0	136.169	3.017	10	0		AGAERN
CCC[C@H](C)C(O)[C@@H](C)CCC	165864711	344271657	/nfs/dbraw/zinc/27/16/57/344271657.db2.gz	BMQHYGGEHXVXPT-UWVGGRQHSA-N	0	0	172.312	3.220	10	0		AGAERN
C1=C(CCCOc2ccccc2)C1	166016877	344273621	/nfs/dbraw/zinc/27/36/21/344273621.db2.gz	XOOOVZQRVALPRV-UHFFFAOYSA-N	0	0	174.243	3.176	10	0		AGAERN
CC(C)[C@H]1CNc2ccccc2S1	166166895	344275745	/nfs/dbraw/zinc/27/57/45/344275745.db2.gz	IYGJSSCXTNCQHV-LLVKDONJSA-N	0	0	193.315	3.229	10	0		AGAERN
Cc1oc(C)c([C@@H](O)CC(C)C)c1C	166232736	344276828	/nfs/dbraw/zinc/27/68/28/344276828.db2.gz	UMTZRXYIODMPHX-NSHDSACASA-N	0	0	196.290	3.284	10	0		AGAERN
Cc1oc(C)c([C@H](O)CC(C)C)c1C	166232617	344276910	/nfs/dbraw/zinc/27/69/10/344276910.db2.gz	UMTZRXYIODMPHX-LLVKDONJSA-N	0	0	196.290	3.284	10	0		AGAERN
CC(C)n1ccc2c(C=O)cccc21	166255609	344277214	/nfs/dbraw/zinc/27/72/14/344277214.db2.gz	KBPCAUHQODEYJQ-UHFFFAOYSA-N	0	0	187.242	3.035	10	0		AGAERN
CCOc1cccc2[nH]cc(Cl)c12	166395880	344280707	/nfs/dbraw/zinc/28/07/07/344280707.db2.gz	BIFPFEGSRHAYOX-UHFFFAOYSA-N	0	0	195.649	3.220	10	0		AGAERN
FC(F)(F)c1ccsc1Cl	166394248	344280774	/nfs/dbraw/zinc/28/07/74/344280774.db2.gz	BUDUFCQPCLPLFL-UHFFFAOYSA-N	0	0	186.585	3.420	10	0		AGAERN
CCCn1ccc2c(OC)cccc21	166425991	344281499	/nfs/dbraw/zinc/28/14/99/344281499.db2.gz	XZIXPCDQNDFWTO-UHFFFAOYSA-N	0	0	189.258	3.060	10	0		AGAERN
COc1cccc2c1ccn2C(F)F	166425070	344281614	/nfs/dbraw/zinc/28/16/14/344281614.db2.gz	HTXNDNFYNIKRGH-UHFFFAOYSA-N	0	0	197.184	3.045	10	0		AGAERN
O=C1CC[C@H](/C=C/c2ccccc2)C1	166446727	344281847	/nfs/dbraw/zinc/28/18/47/344281847.db2.gz	ARBZJQANXYUBNI-SYTKJHMZSA-N	0	0	186.254	3.069	10	0		AGAERN
O=C(c1cccc(F)c1Cl)C1CC1	166508707	344283346	/nfs/dbraw/zinc/28/33/46/344283346.db2.gz	VXXXOAOKTCREGL-UHFFFAOYSA-N	0	0	198.624	3.072	10	0		AGAERN
Cc1cccc(C(=O)C2CC2)c1Cl	166518602	344283756	/nfs/dbraw/zinc/28/37/56/344283756.db2.gz	KBULEISTIULBJK-UHFFFAOYSA-N	0	0	194.661	3.241	10	0		AGAERN
Nc1cc(Cl)ccc1SC1CC1	166571669	344284717	/nfs/dbraw/zinc/28/47/17/344284717.db2.gz	YCGXQOJBASTRCD-UHFFFAOYSA-N	0	0	199.706	3.177	10	0		AGAERN
COc1ccc(C)c(Cl)c1Cl	166578877	344284957	/nfs/dbraw/zinc/28/49/57/344284957.db2.gz	HDJDTYVCQVUBSX-UHFFFAOYSA-N	0	0	191.057	3.310	10	0		AGAERN
Nc1ccc(SC2CC2)cc1Cl	166577832	344285031	/nfs/dbraw/zinc/28/50/31/344285031.db2.gz	UYAVAKRIQNVBME-UHFFFAOYSA-N	0	0	199.706	3.177	10	0		AGAERN
Nc1cccc(Cl)c1SC1CC1	166573311	344285078	/nfs/dbraw/zinc/28/50/78/344285078.db2.gz	QATFHOHPYPCWPL-UHFFFAOYSA-N	0	0	199.706	3.177	10	0		AGAERN
Nc1ccc(SC2CC2)c(Cl)c1	166573450	344285121	/nfs/dbraw/zinc/28/51/21/344285121.db2.gz	DIFZTXIJJRUUEU-UHFFFAOYSA-N	0	0	199.706	3.177	10	0		AGAERN
Nc1ccc(Cl)c(SC2CC2)c1	166576842	344285154	/nfs/dbraw/zinc/28/51/54/344285154.db2.gz	UPTMRSZVDXMDKM-UHFFFAOYSA-N	0	0	199.706	3.177	10	0		AGAERN
Nc1ccc(Cl)cc1SC1CC1	166578319	344285226	/nfs/dbraw/zinc/28/52/26/344285226.db2.gz	QVDYSAFBDSCBRP-UHFFFAOYSA-N	0	0	199.706	3.177	10	0		AGAERN
CC(C)c1ccc2[nH]nc(Cl)c2c1	166606354	344285292	/nfs/dbraw/zinc/28/52/92/344285292.db2.gz	DDDXDDDXPNKNIY-UHFFFAOYSA-N	0	0	194.665	3.340	10	0		AGAERN
CCCc1ccc2[nH]nc(Cl)c2c1	166606600	344285311	/nfs/dbraw/zinc/28/53/11/344285311.db2.gz	VITIFMLWGCMUOH-UHFFFAOYSA-N	0	0	194.665	3.169	10	0		AGAERN
Clc1ccncc1NC1CCCC1	166624530	344285937	/nfs/dbraw/zinc/28/59/37/344285937.db2.gz	ODKXTLAGTPSFLN-UHFFFAOYSA-N	0	0	196.681	3.090	10	0		AGAERN
CC(C)[C@@H](C)Nc1cnccc1Cl	166631831	344286109	/nfs/dbraw/zinc/28/61/09/344286109.db2.gz	FFTOJTMZKGGKMX-MRVPVSSYSA-N	0	0	198.697	3.191	10	0		AGAERN
Cc1ccc(-c2ncco2)cc1Cl	166620350	344286264	/nfs/dbraw/zinc/28/62/64/344286264.db2.gz	NGBUMGZPOSWJPG-UHFFFAOYSA-N	0	0	193.633	3.303	10	0		AGAERN
CC(C)[C@H](C)Nc1cnccc1Cl	166631937	344286320	/nfs/dbraw/zinc/28/63/20/344286320.db2.gz	FFTOJTMZKGGKMX-QMMMGPOBSA-N	0	0	198.697	3.191	10	0		AGAERN
CCC(CC)Nc1cnccc1Cl	166657808	344286483	/nfs/dbraw/zinc/28/64/83/344286483.db2.gz	JETKAEDIDTUYQA-UHFFFAOYSA-N	0	0	198.697	3.336	10	0		AGAERN
CC(C)(C)CNc1cnccc1Cl	166646744	344286745	/nfs/dbraw/zinc/28/67/45/344286745.db2.gz	MUWBNVKTCUPBMD-UHFFFAOYSA-N	0	0	198.697	3.193	10	0		AGAERN
CC(C)c1cn2c(n1)C[C@@H](C)C[C@H]2C	166709910	344287576	/nfs/dbraw/zinc/28/75/76/344287576.db2.gz	MYHIJRBDFHGVSV-VHSXEESVSA-N	0	0	192.306	3.150	10	0		AGAERN
CC(C)c1cn2c(n1)C[C@@H](C)C[C@@H]2C	166710127	344287617	/nfs/dbraw/zinc/28/76/17/344287617.db2.gz	MYHIJRBDFHGVSV-UWVGGRQHSA-N	0	0	192.306	3.150	10	0		AGAERN
CC(C)c1cn2c(n1)C[C@H](C)C[C@@H]2C	166710237	344287850	/nfs/dbraw/zinc/28/78/50/344287850.db2.gz	MYHIJRBDFHGVSV-ZJUUUORDSA-N	0	0	192.306	3.150	10	0		AGAERN
CC(C)c1cn2c(n1)C[C@H](C)C[C@H]2C	166710020	344287884	/nfs/dbraw/zinc/28/78/84/344287884.db2.gz	MYHIJRBDFHGVSV-NXEZZACHSA-N	0	0	192.306	3.150	10	0		AGAERN
Cc1cc([C@@]2(C)CCC(=O)C2)cs1	166837951	344290143	/nfs/dbraw/zinc/29/01/43/344290143.db2.gz	AIBVODQDSINLPH-NSHDSACASA-N	0	0	194.299	3.067	10	0		AGAERN
Cc1cc([C@]2(C)CCC(=O)C2)cs1	166837828	344290228	/nfs/dbraw/zinc/29/02/28/344290228.db2.gz	AIBVODQDSINLPH-LLVKDONJSA-N	0	0	194.299	3.067	10	0		AGAERN
Cc1ccc([C@@]2(C)CCC(=O)C2)s1	166838416	344290406	/nfs/dbraw/zinc/29/04/06/344290406.db2.gz	BQUYXYRBUBYFPS-NSHDSACASA-N	0	0	194.299	3.067	10	0		AGAERN
Cc1ccc([C@]2(C)CCC(=O)C2)s1	166838296	344290426	/nfs/dbraw/zinc/29/04/26/344290426.db2.gz	BQUYXYRBUBYFPS-LLVKDONJSA-N	0	0	194.299	3.067	10	0		AGAERN
Cc1ccsc1[C@@]1(C)CCC(=O)C1	166853252	344290714	/nfs/dbraw/zinc/29/07/14/344290714.db2.gz	MIVDHYGKOXXYQR-NSHDSACASA-N	0	0	194.299	3.067	10	0		AGAERN
CC[C@H](C)C[C@@]1(C)CCC(=O)C1	166856884	344291075	/nfs/dbraw/zinc/29/10/75/344291075.db2.gz	JEPGBXHLDVDXFH-GXSJLCMTSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1ccsc1[C@]1(C)CCC(=O)C1	166853149	344290926	/nfs/dbraw/zinc/29/09/26/344290926.db2.gz	MIVDHYGKOXXYQR-LLVKDONJSA-N	0	0	194.299	3.067	10	0		AGAERN
CC[C@@H](C)C[C@@]1(C)CCC(=O)C1	166856782	344291000	/nfs/dbraw/zinc/29/10/00/344291000.db2.gz	JEPGBXHLDVDXFH-MWLCHTKSSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H](C)C[C@]1(C)CCC(=O)C1	166856595	344291017	/nfs/dbraw/zinc/29/10/17/344291017.db2.gz	JEPGBXHLDVDXFH-KOLCDFICSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1ccccc1[C@]1(C)CCC(=O)C1	166866736	344291038	/nfs/dbraw/zinc/29/10/38/344291038.db2.gz	UNICEFBBALDMDN-CYBMUJFWSA-N	0	0	188.270	3.006	10	0		AGAERN
Cc1cccc([C@@]2(C)CCC(=O)C2)c1	166866377	344291149	/nfs/dbraw/zinc/29/11/49/344291149.db2.gz	XBQJPVJDFXNBSR-ZDUSSCGKSA-N	0	0	188.270	3.006	10	0		AGAERN
Cc1cccc([C@]2(C)CCC(=O)C2)c1	166866268	344291231	/nfs/dbraw/zinc/29/12/31/344291231.db2.gz	XBQJPVJDFXNBSR-CYBMUJFWSA-N	0	0	188.270	3.006	10	0		AGAERN
Cc1ccccc1[C@@]1(C)CCC(=O)C1	166866826	344291283	/nfs/dbraw/zinc/29/12/83/344291283.db2.gz	UNICEFBBALDMDN-ZDUSSCGKSA-N	0	0	188.270	3.006	10	0		AGAERN
CC[C@H](C)C[C@]1(C)CCC(=O)C1	166856698	344291304	/nfs/dbraw/zinc/29/13/04/344291304.db2.gz	JEPGBXHLDVDXFH-ONGXEEELSA-N	0	0	168.280	3.182	10	0		AGAERN
C[C@]1(CC2CCCC2)CCC(=O)C1	166857019	344291395	/nfs/dbraw/zinc/29/13/95/344291395.db2.gz	KRZUKEVUFKXZHB-GFCCVEGCSA-N	0	0	180.291	3.326	10	0		AGAERN
C[C@@]1(C2CCCCC2)CCC(=O)C1	166878728	344291664	/nfs/dbraw/zinc/29/16/64/344291664.db2.gz	GAQQJRDZWXUEKY-GFCCVEGCSA-N	0	0	180.291	3.326	10	0		AGAERN
C[C@]1(Cc2cccs2)CCC(=O)C1	166879780	344291811	/nfs/dbraw/zinc/29/18/11/344291811.db2.gz	YEHXZYQTDOJWTK-NSHDSACASA-N	0	0	194.299	3.050	10	0		AGAERN
C[C@]1(C2CCCCC2)CCC(=O)C1	166878677	344291857	/nfs/dbraw/zinc/29/18/57/344291857.db2.gz	GAQQJRDZWXUEKY-LBPRGKRZSA-N	0	0	180.291	3.326	10	0		AGAERN
C[C@@]1(Cc2cccs2)CCC(=O)C1	166879885	344291895	/nfs/dbraw/zinc/29/18/95/344291895.db2.gz	YEHXZYQTDOJWTK-LLVKDONJSA-N	0	0	194.299	3.050	10	0		AGAERN
C[C@@]1(Cc2ccsc2)CCC(=O)C1	166887862	344292180	/nfs/dbraw/zinc/29/21/80/344292180.db2.gz	DSOPVHKELJONEO-NSHDSACASA-N	0	0	194.299	3.050	10	0		AGAERN
C[C@]1(Cc2ccsc2)CCC(=O)C1	166887749	344292314	/nfs/dbraw/zinc/29/23/14/344292314.db2.gz	DSOPVHKELJONEO-LLVKDONJSA-N	0	0	194.299	3.050	10	0		AGAERN
CC(C)C(Nc1cccnc1)C(C)C	166989177	344294621	/nfs/dbraw/zinc/29/46/21/344294621.db2.gz	YCURLQXBOYZUGU-UHFFFAOYSA-N	0	0	192.306	3.174	10	0		AGAERN
C/C=C\COc1ccc(Cl)cc1	167038253	344296050	/nfs/dbraw/zinc/29/60/50/344296050.db2.gz	NRKVAJHEUDKZHZ-IHWYPQMZSA-N	0	0	182.650	3.295	10	0		AGAERN
CC(C)Sc1cccc(F)c1	167074052	344296874	/nfs/dbraw/zinc/29/68/74/344296874.db2.gz	AJTNFYMMJFFVPB-UHFFFAOYSA-N	0	0	170.252	3.326	10	0		AGAERN
C[C@H](O)c1ccccc1C1CCC1	167102240	344297193	/nfs/dbraw/zinc/29/71/93/344297193.db2.gz	RJNOPINYYOOESF-VIFPVBQESA-N	0	0	176.259	3.007	10	0		AGAERN
CC[C@@H](O)c1cccc(C2CCC2)c1	167102562	344297211	/nfs/dbraw/zinc/29/72/11/344297211.db2.gz	KDTBRGPUZQACIE-CYBMUJFWSA-N	0	0	190.286	3.398	10	0		AGAERN
CC(=O)c1cccc(C2CCC2)c1	167110532	344297306	/nfs/dbraw/zinc/29/73/06/344297306.db2.gz	AOKKICVHEZYGSB-UHFFFAOYSA-N	0	0	174.243	3.157	10	0		AGAERN
CC[C@H](O)c1cccc(C2CCC2)c1	167102444	344297374	/nfs/dbraw/zinc/29/73/74/344297374.db2.gz	KDTBRGPUZQACIE-ZDUSSCGKSA-N	0	0	190.286	3.398	10	0		AGAERN
Cc1cc2c(C)coc2cc1F	167112415	344297386	/nfs/dbraw/zinc/29/73/86/344297386.db2.gz	ALPSTIOEWFHDHX-UHFFFAOYSA-N	0	0	164.179	3.189	10	0		AGAERN
C[C@@H](O)c1ccccc1C1CCC1	167102339	344297397	/nfs/dbraw/zinc/29/73/97/344297397.db2.gz	RJNOPINYYOOESF-SECBINFHSA-N	0	0	176.259	3.007	10	0		AGAERN
CC[C@H](O)c1ccccc1C1CCC1	167102663	344297424	/nfs/dbraw/zinc/29/74/24/344297424.db2.gz	RTOVDRXNESOBIT-ZDUSSCGKSA-N	0	0	190.286	3.398	10	0		AGAERN
CC[C@@H](O)c1ccccc1C1CCC1	167102756	344297447	/nfs/dbraw/zinc/29/74/47/344297447.db2.gz	RTOVDRXNESOBIT-CYBMUJFWSA-N	0	0	190.286	3.398	10	0		AGAERN
CC1CCC([C@]2(C)CC[C@H](O)C2)CC1	167218353	344300195	/nfs/dbraw/zinc/30/01/95/344300195.db2.gz	ZHOJRGNYNSRIRO-IFWUJCSASA-N	0	0	196.334	3.364	10	0		AGAERN
CC1CCC([C@@]2(C)CC[C@H](O)C2)CC1	167218450	344300283	/nfs/dbraw/zinc/30/02/83/344300283.db2.gz	ZHOJRGNYNSRIRO-TYUFSLCMSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1CCC([C@@]2(C)CC[C@@H](O)C2)CC1	167218657	344300290	/nfs/dbraw/zinc/30/02/90/344300290.db2.gz	ZHOJRGNYNSRIRO-TUUUFIMRSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1CCC([C@]2(C)CC[C@@H](O)C2)CC1	167218552	344300329	/nfs/dbraw/zinc/30/03/29/344300329.db2.gz	ZHOJRGNYNSRIRO-FIYWTHMPSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(=O)C(C)(C)CCc1ccccc1	167238299	344300921	/nfs/dbraw/zinc/30/09/21/344300921.db2.gz	VSMKJVOGARYTPB-UHFFFAOYSA-N	0	0	190.286	3.234	10	0		AGAERN
Cc1ccc(C2CC2)cc1C	167239003	344300938	/nfs/dbraw/zinc/30/09/38/344300938.db2.gz	UOYPRASPHAWKGM-UHFFFAOYSA-N	0	0	146.233	3.181	10	0		AGAERN
CCC[C@H](C)Nc1ccc(C)c(O)c1	167399268	344304252	/nfs/dbraw/zinc/30/42/52/344304252.db2.gz	QYQIATIZKJMEDB-JTQLQIEISA-N	0	0	193.290	3.301	10	0		AGAERN
Cc1ccc(N[C@H](C)C(C)C)cc1O	167399705	344304501	/nfs/dbraw/zinc/30/45/01/344304501.db2.gz	FHGSCZGYIOMORQ-SNVBAGLBSA-N	0	0	193.290	3.157	10	0		AGAERN
Cc1ccc(N[C@@H](C)C(C)C)cc1O	167399619	344304508	/nfs/dbraw/zinc/30/45/08/344304508.db2.gz	FHGSCZGYIOMORQ-JTQLQIEISA-N	0	0	193.290	3.157	10	0		AGAERN
CCC[C@@H](C)Nc1ccc(C)c(O)c1	167399135	344304514	/nfs/dbraw/zinc/30/45/14/344304514.db2.gz	QYQIATIZKJMEDB-SNVBAGLBSA-N	0	0	193.290	3.301	10	0		AGAERN
CC[C@@]1(O)CC[C@H](C)c2ccccc21	167473515	344306254	/nfs/dbraw/zinc/30/62/54/344306254.db2.gz	BXTMJDPTDCYCKS-GXFFZTMASA-N	0	0	190.286	3.182	10	0		AGAERN
CC[C@]1(O)CC[C@H](C)c2ccccc21	167473415	344306279	/nfs/dbraw/zinc/30/62/79/344306279.db2.gz	BXTMJDPTDCYCKS-GWCFXTLKSA-N	0	0	190.286	3.182	10	0		AGAERN
CC(C)Cc1cccc(C(C)(C)O)c1	167472657	344306363	/nfs/dbraw/zinc/30/63/63/344306363.db2.gz	CVMVBCJIICUZSZ-UHFFFAOYSA-N	0	0	192.302	3.113	10	0		AGAERN
CC[C@]1(O)CC[C@@H](C)c2ccccc21	167473625	344306520	/nfs/dbraw/zinc/30/65/20/344306520.db2.gz	BXTMJDPTDCYCKS-MFKMUULPSA-N	0	0	190.286	3.182	10	0		AGAERN
CC[C@@]1(O)CC[C@@H](C)c2ccccc21	167473732	344306502	/nfs/dbraw/zinc/30/65/02/344306502.db2.gz	BXTMJDPTDCYCKS-ZWNOBZJWSA-N	0	0	190.286	3.182	10	0		AGAERN
Clc1csc(Br)c1	167489023	344306755	/nfs/dbraw/zinc/30/67/55/344306755.db2.gz	DMXXYTGIEQSMCO-UHFFFAOYSA-N	0	0	197.484	3.164	10	0		AGAERN
Cc1ccccc1O[C@@H](C)C(C)C	167486936	344306913	/nfs/dbraw/zinc/30/69/13/344306913.db2.gz	YZRPPTPLUPFZIZ-NSHDSACASA-N	0	0	178.275	3.418	10	0		AGAERN
Cc1ccccc1O[C@H](C)C(C)C	167487048	344307026	/nfs/dbraw/zinc/30/70/26/344307026.db2.gz	YZRPPTPLUPFZIZ-LLVKDONJSA-N	0	0	178.275	3.418	10	0		AGAERN
CCCn1ccc2ccc(C)cc21	167621812	344309849	/nfs/dbraw/zinc/30/98/49/344309849.db2.gz	NRRHBNIALKLTSL-UHFFFAOYSA-N	0	0	173.259	3.360	10	0		AGAERN
CCc1ccc(O)c(-c2cccnc2)c1	167636919	344310084	/nfs/dbraw/zinc/31/00/84/344310084.db2.gz	PEWUGEIPSFNYLM-UHFFFAOYSA-N	0	0	199.253	3.017	10	0		AGAERN
CCc1ccsc1C(=O)C(C)C	167718855	344312621	/nfs/dbraw/zinc/31/26/21/344312621.db2.gz	IQCZULGGEDRRNR-UHFFFAOYSA-N	0	0	182.288	3.149	10	0		AGAERN
Cc1cc(Cl)cc(C(=O)C(C)C)c1	167721618	344312808	/nfs/dbraw/zinc/31/28/08/344312808.db2.gz	PAJTUGWMQGWOLV-UHFFFAOYSA-N	0	0	196.677	3.487	10	0		AGAERN
Cc1cccc(C(=O)C(C)C)c1Cl	167723483	344312879	/nfs/dbraw/zinc/31/28/79/344312879.db2.gz	MPXZYBLOKJCWIL-UHFFFAOYSA-N	0	0	196.677	3.487	10	0		AGAERN
Cc1oc(C)c(C(=O)C(C)C)c1C	167723714	344312890	/nfs/dbraw/zinc/31/28/90/344312890.db2.gz	APEDOFOPGQCACQ-UHFFFAOYSA-N	0	0	180.247	3.044	10	0		AGAERN
CC(C)C(=O)c1cc2c(s1)CCC2	167724839	344312931	/nfs/dbraw/zinc/31/29/31/344312931.db2.gz	UCYPYDPQPQCFJC-UHFFFAOYSA-N	0	0	194.299	3.076	10	0		AGAERN
Cc1cc(C(=O)C2CCCCC2)co1	167735930	344312960	/nfs/dbraw/zinc/31/29/60/344312960.db2.gz	CRCSFHYSFXQTNF-UHFFFAOYSA-N	0	0	192.258	3.351	10	0		AGAERN
CC(C)[C@@H](C)C(=O)C1CCCCC1	167734083	344313070	/nfs/dbraw/zinc/31/30/70/344313070.db2.gz	IEUAOJHLAHSBGW-SNVBAGLBSA-N	0	0	182.307	3.428	10	0		AGAERN
Cc1cc(C(=O)C(C)C)sc1C	167721973	344313100	/nfs/dbraw/zinc/31/31/00/344313100.db2.gz	UQSZAQWSKCWULR-UHFFFAOYSA-N	0	0	182.288	3.204	10	0		AGAERN
CC(C)[C@H](C)C(=O)C1CCCCC1	167734181	344313115	/nfs/dbraw/zinc/31/31/15/344313115.db2.gz	IEUAOJHLAHSBGW-JTQLQIEISA-N	0	0	182.307	3.428	10	0		AGAERN
CCCC(=O)C1C(C)(C)C1(C)C	167741566	344313430	/nfs/dbraw/zinc/31/34/30/344313430.db2.gz	BESVGWXJVIHTSI-UHFFFAOYSA-N	0	0	168.280	3.038	10	0		AGAERN
CC1(C(=O)C2CCCC2)CCCC1	167748637	344313433	/nfs/dbraw/zinc/31/34/33/344313433.db2.gz	OWGNABLDSDGNLY-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
Cc1ccc(C(=O)CC(C)C)c(F)c1	167761501	344313923	/nfs/dbraw/zinc/31/39/23/344313923.db2.gz	QYDMFSRFKKMPPV-UHFFFAOYSA-N	0	0	194.249	3.363	10	0		AGAERN
CCC[C@H](C)C(=O)c1cccc(F)c1	167779981	344314315	/nfs/dbraw/zinc/31/43/15/344314315.db2.gz	LUEUBWOSRVSOEO-VIFPVBQESA-N	0	0	194.249	3.445	10	0		AGAERN
CCC[C@@H](C)C(=O)c1cccc(F)c1	167779868	344314555	/nfs/dbraw/zinc/31/45/55/344314555.db2.gz	LUEUBWOSRVSOEO-SECBINFHSA-N	0	0	194.249	3.445	10	0		AGAERN
C/C=C1/CCCc2ccccc21	167783258	344314639	/nfs/dbraw/zinc/31/46/39/344314639.db2.gz	ZNSSUHNPBPAUON-SGAXSIHGSA-N	0	0	158.244	3.426	10	0		AGAERN
CC(C)c1ccc(C(C)(C)C)[nH]1	167813933	344314966	/nfs/dbraw/zinc/31/49/66/344314966.db2.gz	LJZQFJBFLNLHBQ-UHFFFAOYSA-N	0	0	165.280	3.436	10	0		AGAERN
CCC[C@H](C)C(=O)c1ccccc1F	167935382	344316909	/nfs/dbraw/zinc/31/69/09/344316909.db2.gz	FGJSCKGAIWUXGM-VIFPVBQESA-N	0	0	194.249	3.445	10	0		AGAERN
CCc1cccc([C@@H](O)C(C)(C)C)c1	167934108	344316938	/nfs/dbraw/zinc/31/69/38/344316938.db2.gz	IXBAHPJVFSYNRJ-GFCCVEGCSA-N	0	0	192.302	3.329	10	0		AGAERN
CC(C)[C@@H](C)C(=O)c1ccccc1F	167935050	344317195	/nfs/dbraw/zinc/31/71/95/344317195.db2.gz	XIKWUHYJUAYFGQ-SECBINFHSA-N	0	0	194.249	3.301	10	0		AGAERN
CC(C)c1nc2c(s1)C[C@@H](C)CC2	167949769	344317476	/nfs/dbraw/zinc/31/74/76/344317476.db2.gz	WQVYIOIWXYRHAS-QMMMGPOBSA-N	0	0	195.331	3.391	10	0		AGAERN
CCc1cccc([C@H](O)C2CCC2)c1	167960069	344317566	/nfs/dbraw/zinc/31/75/66/344317566.db2.gz	JAMVCCLTYWZRBZ-CYBMUJFWSA-N	0	0	190.286	3.083	10	0		AGAERN
CC(C)c1nc2c(s1)C[C@H](C)CC2	167949881	344317678	/nfs/dbraw/zinc/31/76/78/344317678.db2.gz	WQVYIOIWXYRHAS-MRVPVSSYSA-N	0	0	195.331	3.391	10	0		AGAERN
Cc1ccc(F)c(Cl)c1Cl	167944863	344317701	/nfs/dbraw/zinc/31/77/01/344317701.db2.gz	HIXXDQPJVORCDB-UHFFFAOYSA-N	0	0	179.021	3.441	10	0		AGAERN
CCc1cccc([C@@H](O)C2CCC2)c1	167960152	344317721	/nfs/dbraw/zinc/31/77/21/344317721.db2.gz	JAMVCCLTYWZRBZ-ZDUSSCGKSA-N	0	0	190.286	3.083	10	0		AGAERN
CCc1cccc(C(=O)[C@@H](C)CC)c1	167996744	344318442	/nfs/dbraw/zinc/31/84/42/344318442.db2.gz	AUTDTGVASYOEOM-JTQLQIEISA-N	0	0	190.286	3.478	10	0		AGAERN
CCc1cccc(C(=O)[C@H](C)CC)c1	167996848	344318648	/nfs/dbraw/zinc/31/86/48/344318648.db2.gz	AUTDTGVASYOEOM-SNVBAGLBSA-N	0	0	190.286	3.478	10	0		AGAERN
CCc1cccc(C(=O)C2CCC2)c1	167998825	344318689	/nfs/dbraw/zinc/31/86/89/344318689.db2.gz	JUQMIQKAEDORAE-UHFFFAOYSA-N	0	0	188.270	3.232	10	0		AGAERN
CCc1cccc(C(=O)C2(C)CC2)c1	168014108	344319108	/nfs/dbraw/zinc/31/91/08/344319108.db2.gz	DGXVXIXMQLNWMI-UHFFFAOYSA-N	0	0	188.270	3.232	10	0		AGAERN
CCc1cccc([C@H](O)C2(C)CC2)c1	168054189	344319960	/nfs/dbraw/zinc/31/99/60/344319960.db2.gz	OCQOVHMQPKWCMS-LBPRGKRZSA-N	0	0	190.286	3.083	10	0		AGAERN
CCc1cccc([C@@H](O)C2(C)CC2)c1	168054278	344320051	/nfs/dbraw/zinc/32/00/51/344320051.db2.gz	OCQOVHMQPKWCMS-GFCCVEGCSA-N	0	0	190.286	3.083	10	0		AGAERN
CCCNc1ccc2ncsc2c1	168077528	344320291	/nfs/dbraw/zinc/32/02/91/344320291.db2.gz	TZNXBJMIOVIVNU-UHFFFAOYSA-N	0	0	192.287	3.118	10	0		AGAERN
CC(C)(C)C(=O)C1(C)CCCC1	168161465	344322557	/nfs/dbraw/zinc/32/25/57/344322557.db2.gz	FFGNYUCPSVRRKE-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1sccc1-c1ccccc1O	168166189	344322633	/nfs/dbraw/zinc/32/26/33/344322633.db2.gz	NIBCKBBWSFZXNI-UHFFFAOYSA-N	0	0	190.267	3.429	10	0		AGAERN
CC1(C(=O)c2ccoc2)CCCC1	168179988	344323490	/nfs/dbraw/zinc/32/34/90/344323490.db2.gz	PHWDPPYKEJFDCJ-UHFFFAOYSA-N	0	0	178.231	3.043	10	0		AGAERN
CCC[C@@H](O)c1cccc2[nH]ccc12	168208680	344324753	/nfs/dbraw/zinc/32/47/53/344324753.db2.gz	ICAYFLWKYMUKDH-GFCCVEGCSA-N	0	0	189.258	3.001	10	0		AGAERN
CCC[C@H](O)c1cccc2[nH]ccc12	168208574	344324955	/nfs/dbraw/zinc/32/49/55/344324955.db2.gz	ICAYFLWKYMUKDH-LBPRGKRZSA-N	0	0	189.258	3.001	10	0		AGAERN
CCc1cccc([C@@H]2CCCC2=O)c1	168268340	344327094	/nfs/dbraw/zinc/32/70/94/344327094.db2.gz	JIGGRZWULZSZCU-LBPRGKRZSA-N	0	0	188.270	3.086	10	0		AGAERN
CCC[C@H](C)n1cnc2ccccc21	168295886	344327324	/nfs/dbraw/zinc/32/73/24/344327324.db2.gz	YYUCCLCUWPTDOC-JTQLQIEISA-N	0	0	188.274	3.397	10	0		AGAERN
CCC[C@@H](C)n1cnc2ccccc21	168295776	344327666	/nfs/dbraw/zinc/32/76/66/344327666.db2.gz	YYUCCLCUWPTDOC-SNVBAGLBSA-N	0	0	188.274	3.397	10	0		AGAERN
CCC(=O)[C@H]1CCCc2sccc21	168341800	344328847	/nfs/dbraw/zinc/32/88/47/344328847.db2.gz	KWMBMPYNCUMIEM-QMMMGPOBSA-N	0	0	194.299	3.147	10	0		AGAERN
CC1(C(=O)CC2CCC2)CCCC1	168348156	344328854	/nfs/dbraw/zinc/32/88/54/344328854.db2.gz	VXKWZXNVTBVAPF-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
CCC(=O)[C@@H]1CCCc2sccc21	168341708	344329120	/nfs/dbraw/zinc/32/91/20/344329120.db2.gz	KWMBMPYNCUMIEM-MRVPVSSYSA-N	0	0	194.299	3.147	10	0		AGAERN
Cc1oc(C)c(C(=O)CC2CC2)c1C	168379495	344329805	/nfs/dbraw/zinc/32/98/05/344329805.db2.gz	CEGHCCUGZAOSMQ-UHFFFAOYSA-N	0	0	192.258	3.188	10	0		AGAERN
CC(C)[C@@H](C)C(=O)c1ccsc1	168428911	344330714	/nfs/dbraw/zinc/33/07/14/344330714.db2.gz	KWQJNGVZWJJOGK-MRVPVSSYSA-N	0	0	182.288	3.223	10	0		AGAERN
C[C@H]1C[C@]1(O)CC1CCCCCC1	168435922	344330761	/nfs/dbraw/zinc/33/07/61/344330761.db2.gz	OPCYFEYGSCRRDY-JQWIXIFHSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(C)[C@H](C)C(=O)c1ccsc1	168428999	344330841	/nfs/dbraw/zinc/33/08/41/344330841.db2.gz	KWQJNGVZWJJOGK-QMMMGPOBSA-N	0	0	182.288	3.223	10	0		AGAERN
C[C@@H]1C[C@@]1(O)CC1CCCCCC1	168435989	344330847	/nfs/dbraw/zinc/33/08/47/344330847.db2.gz	OPCYFEYGSCRRDY-ZYHUDNBSSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@H]1C[C@@]1(O)CC1CCCCCC1	168436052	344330917	/nfs/dbraw/zinc/33/09/17/344330917.db2.gz	OPCYFEYGSCRRDY-CMPLNLGQSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@@H]1C[C@]1(O)CC1CCCCCC1	168435828	344330934	/nfs/dbraw/zinc/33/09/34/344330934.db2.gz	OPCYFEYGSCRRDY-PWSUYJOCSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@H](C(=O)[C@H]1CCC[C@@H](C)C1)C1CC1	168499691	344331864	/nfs/dbraw/zinc/33/18/64/344331864.db2.gz	HPJALGLUCZZKHN-SCVCMEIPSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@H](C(=O)[C@@H]1CCC[C@@H](C)C1)C1CC1	168499874	344331975	/nfs/dbraw/zinc/33/19/75/344331975.db2.gz	HPJALGLUCZZKHN-JFGNBEQYSA-N	0	0	194.318	3.428	10	0		AGAERN
Cc1ccc([C@H](O)CC(C)C)c(F)c1	168478181	344331976	/nfs/dbraw/zinc/33/19/76/344331976.db2.gz	XUDDBXCFIDHLHR-GFCCVEGCSA-N	0	0	196.265	3.214	10	0		AGAERN
Cc1ccc([C@@H](O)CC(C)C)c(F)c1	168478283	344332043	/nfs/dbraw/zinc/33/20/43/344332043.db2.gz	XUDDBXCFIDHLHR-LBPRGKRZSA-N	0	0	196.265	3.214	10	0		AGAERN
CCCC[C@]1(O)C=CCCCC1	168623172	344333799	/nfs/dbraw/zinc/33/37/99/344333799.db2.gz	IGSFFTXAXBMUBW-NSHDSACASA-N	0	0	168.280	3.038	10	0		AGAERN
CCCC[C@@]1(O)C=CCCCC1	168623265	344334041	/nfs/dbraw/zinc/33/40/41/344334041.db2.gz	IGSFFTXAXBMUBW-LLVKDONJSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1cc(Cl)cc(C(=O)C2CC2)c1	168628249	344334193	/nfs/dbraw/zinc/33/41/93/344334193.db2.gz	NWBXPKXFOGGVPE-UHFFFAOYSA-N	0	0	194.661	3.241	10	0		AGAERN
Cc1cccc([C@@H](O)[C@@H](C)C2CC2)c1	168689746	344335018	/nfs/dbraw/zinc/33/50/18/344335018.db2.gz	CQVBIYCVLRCFSP-GWCFXTLKSA-N	0	0	190.286	3.075	10	0		AGAERN
Cc1ccc(C2CCC(=O)CC2)s1	168713441	344335033	/nfs/dbraw/zinc/33/50/33/344335033.db2.gz	UCTRJSUIKSPLEN-UHFFFAOYSA-N	0	0	194.299	3.283	10	0		AGAERN
Cc1cccc([C@H](O)[C@H](C)C2CC2)c1	168689841	344335060	/nfs/dbraw/zinc/33/50/60/344335060.db2.gz	CQVBIYCVLRCFSP-ZWNOBZJWSA-N	0	0	190.286	3.075	10	0		AGAERN
Cc1cccc([C@H](O)[C@@H](C)C2CC2)c1	168689650	344335077	/nfs/dbraw/zinc/33/50/77/344335077.db2.gz	CQVBIYCVLRCFSP-GXFFZTMASA-N	0	0	190.286	3.075	10	0		AGAERN
Cc1cccc([C@@H](O)[C@H](C)C2CC2)c1	168689948	344335125	/nfs/dbraw/zinc/33/51/25/344335125.db2.gz	CQVBIYCVLRCFSP-MFKMUULPSA-N	0	0	190.286	3.075	10	0		AGAERN
Cc1ccsc1C1CCC(=O)CC1	168722382	344335722	/nfs/dbraw/zinc/33/57/22/344335722.db2.gz	PZIOPQIVKKFNLQ-UHFFFAOYSA-N	0	0	194.299	3.283	10	0		AGAERN
COc1cc(F)c2c(c1)CCC2(C)C	168753485	344335985	/nfs/dbraw/zinc/33/59/85/344335985.db2.gz	ZZZRVNQLSGWTHV-UHFFFAOYSA-N	0	0	194.249	3.058	10	0		AGAERN
CC(C)[C@@H](C)[C@H](O)c1cccc(F)c1	168742733	344336004	/nfs/dbraw/zinc/33/60/04/344336004.db2.gz	BCVRMZZKAQFPEM-SKDRFNHKSA-N	0	0	196.265	3.151	10	0		AGAERN
Cc1cc(C2CCC(=O)CC2)cs1	168739839	344336109	/nfs/dbraw/zinc/33/61/09/344336109.db2.gz	QZXNVQFQEHPHMZ-UHFFFAOYSA-N	0	0	194.299	3.283	10	0		AGAERN
CC(C)[C@@H](C)[C@@H](O)c1cccc(F)c1	168742918	344336171	/nfs/dbraw/zinc/33/61/71/344336171.db2.gz	BCVRMZZKAQFPEM-BXKDBHETSA-N	0	0	196.265	3.151	10	0		AGAERN
CC(C)[C@H](C)[C@@H](O)c1cccc(F)c1	168743004	344336189	/nfs/dbraw/zinc/33/61/89/344336189.db2.gz	BCVRMZZKAQFPEM-JOYOIKCWSA-N	0	0	196.265	3.151	10	0		AGAERN
CC(C)[C@H](C)[C@H](O)c1cccc(F)c1	168742818	344336211	/nfs/dbraw/zinc/33/62/11/344336211.db2.gz	BCVRMZZKAQFPEM-CABZTGNLSA-N	0	0	196.265	3.151	10	0		AGAERN
CCC[C@@H](P)Cc1ccccc1	168841164	344338587	/nfs/dbraw/zinc/33/85/87/344338587.db2.gz	UKKIIUAYSAQGKX-LLVKDONJSA-N	0	0	180.231	3.273	10	0		AGAERN
CCC[C@H](P)Cc1ccccc1	168841257	344338788	/nfs/dbraw/zinc/33/87/88/344338788.db2.gz	UKKIIUAYSAQGKX-NSHDSACASA-N	0	0	180.231	3.273	10	0		AGAERN
Cc1csc(Oc2ccccc2)n1	168917311	344339573	/nfs/dbraw/zinc/33/95/73/344339573.db2.gz	YMIXGSNTPPVIKF-UHFFFAOYSA-N	0	0	191.255	3.244	10	0		AGAERN
Cc1cc(Cl)cc(F)c1C	169030135	344342904	/nfs/dbraw/zinc/34/29/04/344342904.db2.gz	CHZVDIDRULODIZ-UHFFFAOYSA-N	0	0	158.603	3.096	10	0		AGAERN
Cc1noc(-c2ccccc2)c1Cl	169068577	344343527	/nfs/dbraw/zinc/34/35/27/344343527.db2.gz	BPBSMCWLDCPIIJ-UHFFFAOYSA-N	0	0	193.633	3.303	10	0		AGAERN
Cc1cc2c(Cl)ccnc2cc1F	169108547	344345704	/nfs/dbraw/zinc/34/57/04/344345704.db2.gz	MHWJMZVHVHPCLQ-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
CC1(C)CNc2cc(F)c(Cl)cc21	169121813	344345753	/nfs/dbraw/zinc/34/57/53/344345753.db2.gz	BUWTYPPUVRKGCR-UHFFFAOYSA-N	0	0	199.656	3.182	10	0		AGAERN
CC[C@@H](O)c1cccc(C)c1Cl	169109788	344345956	/nfs/dbraw/zinc/34/59/56/344345956.db2.gz	FXAVLPYMOBZLPP-SECBINFHSA-N	0	0	184.666	3.092	10	0		AGAERN
CC[C@H](O)c1cccc(C)c1Cl	169109703	344345982	/nfs/dbraw/zinc/34/59/82/344345982.db2.gz	FXAVLPYMOBZLPP-VIFPVBQESA-N	0	0	184.666	3.092	10	0		AGAERN
C[C@H]1CNc2cc(F)c(Cl)cc2C1	169143015	344346735	/nfs/dbraw/zinc/34/67/35/344346735.db2.gz	FOCZCTRDYQCYFG-ZCFIWIBFSA-N	0	0	199.656	3.083	10	0		AGAERN
C[C@@H]1CNc2cc(F)c(Cl)cc2C1	169143099	344346850	/nfs/dbraw/zinc/34/68/50/344346850.db2.gz	FOCZCTRDYQCYFG-LURJTMIESA-N	0	0	199.656	3.083	10	0		AGAERN
Fc1cccc2c1ccn2CC(F)F	169150767	344346884	/nfs/dbraw/zinc/34/68/84/344346884.db2.gz	KQEFNOGRYKJODJ-UHFFFAOYSA-N	0	0	199.175	3.046	10	0		AGAERN
CCCn1ccc2c(F)cccc21	169150108	344346963	/nfs/dbraw/zinc/34/69/63/344346963.db2.gz	COHHQLDWRWBMBT-UHFFFAOYSA-N	0	0	177.222	3.190	10	0		AGAERN
CCC(C)(C)C(=O)c1cnccc1C	169215965	344348813	/nfs/dbraw/zinc/34/88/13/344348813.db2.gz	MFJYDVQWUOASPI-UHFFFAOYSA-N	0	0	191.274	3.009	10	0		AGAERN
CC1(C)C=C[C@](C)(c2ccccc2)O1	169344279	344350500	/nfs/dbraw/zinc/35/05/00/344350500.db2.gz	UQWWUPKHKVGJSN-CYBMUJFWSA-N	0	0	188.270	3.267	10	0		AGAERN
Cc1cccc(Nc2ccccn2)c1C	169387920	344350898	/nfs/dbraw/zinc/35/08/98/344350898.db2.gz	XRIANNKZRHOIEJ-UHFFFAOYSA-N	0	0	198.269	3.442	10	0		AGAERN
S=c1cccc(-c2ccccc2)[nH]1	169395139	344351001	/nfs/dbraw/zinc/35/10/01/344351001.db2.gz	JAMBBWWMXURVQC-UHFFFAOYSA-N	0	0	187.267	3.411	10	0		AGAERN
CC[C@H]1Cc2ccc(C(C)=O)cc2C1	196069210	344355392	/nfs/dbraw/zinc/35/53/92/344355392.db2.gz	XUKUPWITRKAJAV-JTQLQIEISA-N	0	0	188.270	3.014	10	0		AGAERN
CC[C@@H]1Cc2ccc(C(C)=O)cc2C1	196069200	344355419	/nfs/dbraw/zinc/35/54/19/344355419.db2.gz	XUKUPWITRKAJAV-SNVBAGLBSA-N	0	0	188.270	3.014	10	0		AGAERN
C=C=C(SCC)SCC	196192278	344356082	/nfs/dbraw/zinc/35/60/82/344356082.db2.gz	JPOCQMORJSUXME-UHFFFAOYSA-N	0	0	160.307	3.119	10	0		AGAERN
CC[C@@H]1SCc2ccccc21	196253556	344356404	/nfs/dbraw/zinc/35/64/04/344356404.db2.gz	XOPSBRNCQDWGPN-JTQLQIEISA-N	0	0	164.273	3.385	10	0		AGAERN
CCCCCC=C=CCC(=O)OCC	196258524	344356372	/nfs/dbraw/zinc/35/63/72/344356372.db2.gz	KTQKFMPNYQEGLJ-UHFFFAOYSA-N	0	0	196.290	3.231	10	0		AGAERN
CC[C@H]1SCc2ccccc21	196253547	344356396	/nfs/dbraw/zinc/35/63/96/344356396.db2.gz	XOPSBRNCQDWGPN-SNVBAGLBSA-N	0	0	164.273	3.385	10	0		AGAERN
C/C=C/c1ccccc1SC	196259402	344356521	/nfs/dbraw/zinc/35/65/21/344356521.db2.gz	WSPVKXDEEAGDLF-ZZXKWVIFSA-N	0	0	164.273	3.442	10	0		AGAERN
c1ccc2c(c1)CCCC21CC1	196238204	344356601	/nfs/dbraw/zinc/35/66/01/344356601.db2.gz	BJDMQBMUWCQLMF-UHFFFAOYSA-N	0	0	158.244	3.055	10	0		AGAERN
Oc1ccc2ccc3c(c2c1)CCCC3	196413904	344357301	/nfs/dbraw/zinc/35/73/01/344357301.db2.gz	HJZMTEBQODMGLW-UHFFFAOYSA-N	0	0	198.265	3.424	10	0		AGAERN
CCCCc1ccncc1Cl	196421473	344357305	/nfs/dbraw/zinc/35/73/05/344357305.db2.gz	LCKSXNUTGKPODM-UHFFFAOYSA-N	0	0	169.655	3.078	10	0		AGAERN
CC1[C@H]2CCCCCC[C@H]12	196527601	344357660	/nfs/dbraw/zinc/35/76/60/344357660.db2.gz	JWNUSGIHDNWRIQ-NXEZZACHSA-N	0	0	138.254	3.223	10	0		AGAERN
CC1[C@@H]2CCCCCC[C@@H]12	196527629	344357705	/nfs/dbraw/zinc/35/77/05/344357705.db2.gz	JWNUSGIHDNWRIQ-UWVGGRQHSA-N	0	0	138.254	3.223	10	0		AGAERN
CCC(=O)[Si](CC)(CC)CC	196597306	344357954	/nfs/dbraw/zinc/35/79/54/344357954.db2.gz	QUWXIGYETGYQEL-UHFFFAOYSA-N	0	0	172.344	3.013	10	0		AGAERN
CC(C)[C@@]12CC[C@@H](C)[C@@H]1C2	196582907	344357982	/nfs/dbraw/zinc/35/79/82/344357982.db2.gz	GCTNBVHDRFKLLK-UTLUCORTSA-N	0	0	138.254	3.079	10	0	in-vitro	AGAERN
C1=CCO[C@@H](c2ccccc2)CC1	196645086	344358390	/nfs/dbraw/zinc/35/83/90/344358390.db2.gz	TYPPHQSZBAHCJN-GFCCVEGCSA-N	0	0	174.243	3.094	10	0		AGAERN
C1=CCO[C@H](c2ccccc2)CC1	196645079	344358391	/nfs/dbraw/zinc/35/83/91/344358391.db2.gz	TYPPHQSZBAHCJN-LBPRGKRZSA-N	0	0	174.243	3.094	10	0		AGAERN
C[C@H]1CC[C@@H](Sc2ccccc2)O1	196710258	344358743	/nfs/dbraw/zinc/35/87/43/344358743.db2.gz	VONXCPDVTDBMGG-GXSJLCMTSA-N	0	0	194.299	3.304	10	0		AGAERN
CC1(C)C2=CC=CC[C@@]2(C)CC[C@@H]1O	196748083	344358764	/nfs/dbraw/zinc/35/87/64/344358764.db2.gz	RCKNFKFIBLUEEH-AAEUAGOBSA-N	0	0	192.302	3.060	10	0		AGAERN
Cc1ccccc1C(=O)[Si](C)(C)C	196731897	344358773	/nfs/dbraw/zinc/35/87/73/344358773.db2.gz	SBSPEHXKDSJRMW-UHFFFAOYSA-N	0	0	192.334	3.055	10	0		AGAERN
CC1(C)C2=CC=CC[C@]2(C)CC[C@H]1O	196748053	344358897	/nfs/dbraw/zinc/35/88/97/344358897.db2.gz	RCKNFKFIBLUEEH-DGCLKSJQSA-N	0	0	192.302	3.060	10	0		AGAERN
C=C[Si](C)(C)CCCC	196714527	344358918	/nfs/dbraw/zinc/35/89/18/344358918.db2.gz	NPJQENAXXJVCJT-UHFFFAOYSA-N	0	0	142.318	3.220	10	0		AGAERN
CC1(C)C2=CC=CC[C@]2(C)CC[C@@H]1O	196748063	344358922	/nfs/dbraw/zinc/35/89/22/344358922.db2.gz	RCKNFKFIBLUEEH-WCQYABFASA-N	0	0	192.302	3.060	10	0		AGAERN
COc1ccc(C=C(C)C)cc1OC	196722429	344358929	/nfs/dbraw/zinc/35/89/29/344358929.db2.gz	BALIRGPBBQYUCG-UHFFFAOYSA-N	0	0	192.258	3.127	10	0		AGAERN
CC1(C)C2=CC=CC[C@@]2(C)CC[C@H]1O	196748071	344358939	/nfs/dbraw/zinc/35/89/39/344358939.db2.gz	RCKNFKFIBLUEEH-YPMHNXCESA-N	0	0	192.302	3.060	10	0		AGAERN
CCCS[C@@H](C)CCC	198975216	344360650	/nfs/dbraw/zinc/36/06/50/344360650.db2.gz	FOCKILKVSRPYRA-QMMMGPOBSA-N	0	0	146.299	3.318	10	0		AGAERN
CC(=O)C1CCCC(C)(C)C1	198877780	344360705	/nfs/dbraw/zinc/36/07/05/344360705.db2.gz	WWTDMQHJRBCBPU-HJWRWDBZSA-N	0	0	154.253	3.419	10	0		AGAERN
CCCS[C@H](C)CCC	198975202	344360795	/nfs/dbraw/zinc/36/07/95/344360795.db2.gz	FOCKILKVSRPYRA-MRVPVSSYSA-N	0	0	146.299	3.318	10	0		AGAERN
CC/C=C(\OC(C)=O)c1ccccc1	198805855	344360802	/nfs/dbraw/zinc/36/08/02/344360802.db2.gz	VOJBDKYPYQVARX-GHXNOFRVSA-N	0	0	190.242	3.001	10	0		AGAERN
CC1=Nc2ccccc2N[C@H]1C(C)C	199986179	344362316	/nfs/dbraw/zinc/36/23/16/344362316.db2.gz	UYVJVJANCNUQFN-LBPRGKRZSA-N	0	0	188.274	3.229	10	0		AGAERN
CC1=Nc2ccccc2N[C@@H]1C(C)C	199986149	344362484	/nfs/dbraw/zinc/36/24/84/344362484.db2.gz	UYVJVJANCNUQFN-GFCCVEGCSA-N	0	0	188.274	3.229	10	0		AGAERN
C=CCc1cccc(C(=O)C2CC2)c1	200773016	344363436	/nfs/dbraw/zinc/36/34/36/344363436.db2.gz	GXJKIUHCRVBCPU-UHFFFAOYSA-N	0	0	186.254	3.008	10	0		AGAERN
CCSCc1ccc(COC)cc1	200904463	344363851	/nfs/dbraw/zinc/36/38/51/344363851.db2.gz	AZSDQEAZEZBVNT-UHFFFAOYSA-N	0	0	196.315	3.086	10	0		AGAERN
CC[C@H](C)c1cnc2ccccc2n1	201498576	344365502	/nfs/dbraw/zinc/36/55/02/344365502.db2.gz	XFVMLVNXKBSTCQ-VIFPVBQESA-N	0	0	186.258	3.143	10	0		AGAERN
CC[C@@H](C)c1cnc2ccccc2n1	201498543	344365627	/nfs/dbraw/zinc/36/56/27/344365627.db2.gz	XFVMLVNXKBSTCQ-SECBINFHSA-N	0	0	186.258	3.143	10	0		AGAERN
OCCCCCC1=CCCCC1	201794040	344366176	/nfs/dbraw/zinc/36/61/76/344366176.db2.gz	VSSRLHDGDSQINA-UHFFFAOYSA-N	0	0	168.280	3.040	10	0		AGAERN
Cc1ccc(-c2ccc(C=O)o2)s1	201991276	344366250	/nfs/dbraw/zinc/36/62/50/344366250.db2.gz	FOPHUJYDTNHJBN-UHFFFAOYSA-N	0	0	192.239	3.129	10	0		AGAERN
C=C(OC)[Si](C)(C)C(C)(C)C	201928439	344366343	/nfs/dbraw/zinc/36/63/43/344366343.db2.gz	WHERIEPQIWAJRH-UHFFFAOYSA-N	0	0	172.344	3.194	10	0		AGAERN
CC(C)OC(=O)C(C)(C)C(C)(C)C	202048042	344366590	/nfs/dbraw/zinc/36/65/90/344366590.db2.gz	RSMWDDVOLYKKCD-UHFFFAOYSA-N	0	0	186.295	3.010	10	0		AGAERN
CSCCCC(C)(C)C	202929749	344367693	/nfs/dbraw/zinc/36/76/93/344367693.db2.gz	HMMDCPHRCZVDSM-UHFFFAOYSA-N	0	0	146.299	3.176	10	0		AGAERN
Cc1ccc([C@H]2C=CCCC2)o1	204002409	344368708	/nfs/dbraw/zinc/36/87/08/344368708.db2.gz	DMVPOZOQHADMGT-JTQLQIEISA-N	0	0	162.232	3.412	10	0		AGAERN
CC[C@@](C)(F)c1ccccc1	204121066	344369173	/nfs/dbraw/zinc/36/91/73/344369173.db2.gz	ZNTBEHWETCTGEH-SNVBAGLBSA-N	0	0	152.212	3.281	10	0		AGAERN
CC[C@](C)(F)c1ccccc1	204121055	344369354	/nfs/dbraw/zinc/36/93/54/344369354.db2.gz	ZNTBEHWETCTGEH-JTQLQIEISA-N	0	0	152.212	3.281	10	0		AGAERN
CCCCCSCC1CC1	204410757	344369581	/nfs/dbraw/zinc/36/95/81/344369581.db2.gz	CTPOYPQEHTYBSL-UHFFFAOYSA-N	0	0	158.310	3.320	10	0		AGAERN
CCCC[C@H]1CC(C)=C(C)CO1	204448810	344369697	/nfs/dbraw/zinc/36/96/97/344369697.db2.gz	HBJJCCMFJNRZQU-NSHDSACASA-N	0	0	168.280	3.302	10	0		AGAERN
CCCC[C@@H]1CC(C)=C(C)CO1	204448794	344369700	/nfs/dbraw/zinc/36/97/00/344369700.db2.gz	HBJJCCMFJNRZQU-LLVKDONJSA-N	0	0	168.280	3.302	10	0		AGAERN
C/C=C\CSCc1ccccc1	205396991	344371386	/nfs/dbraw/zinc/37/13/86/344371386.db2.gz	OVOKYVFJXJKBOS-IHWYPQMZSA-N	0	0	178.300	3.496	10	0		AGAERN
Cc1ccc2c(c1)pcn2C	205375165	344371546	/nfs/dbraw/zinc/37/15/46/344371546.db2.gz	BSHCVXUSLIAZIV-UHFFFAOYSA-N	0	0	163.160	3.067	10	0		AGAERN
CC/C=C/CCCCCCC(=O)OC	205459348	344372734	/nfs/dbraw/zinc/37/27/34/344372734.db2.gz	AZADXTURMQEOQH-SNAWJCMRSA-N	0	0	198.306	3.466	10	0		AGAERN
CC[C@@H](/C=C/c1ccccc1)OC	205463899	344373160	/nfs/dbraw/zinc/37/31/60/344373160.db2.gz	DQBRFHQAFIYBMG-VMPCVLLUSA-N	0	0	176.259	3.125	10	0		AGAERN
CC[C@H](/C=C/c1ccccc1)OC	205463929	344373212	/nfs/dbraw/zinc/37/32/12/344373212.db2.gz	DQBRFHQAFIYBMG-BZYZDCJZSA-N	0	0	176.259	3.125	10	0		AGAERN
CCCCC/C=C\CC[C@@H]1CC(=O)O1	205491792	344373738	/nfs/dbraw/zinc/37/37/38/344373738.db2.gz	VKCZZKMSKYKKQB-JMEBYUIHSA-N	0	0	196.290	3.219	10	0		AGAERN
CCCCC/C=C/c1cccc(=O)o1	205596239	344374066	/nfs/dbraw/zinc/37/40/66/344374066.db2.gz	QWKPOUXRDIJRMG-SOFGYWHQSA-N	0	0	192.258	3.233	10	0		AGAERN
FC/C=C/CCc1ccccc1	205779469	344374793	/nfs/dbraw/zinc/37/47/93/344374793.db2.gz	FPCCXZKYSYNVIO-QHHAFSJGSA-N	0	0	164.223	3.145	10	0		AGAERN
C/C=C(\C)[C@@]1(C)CCCC(=O)C1	205930635	344375146	/nfs/dbraw/zinc/37/51/46/344375146.db2.gz	LQKJHJPOECGBBE-VKJYCEFSSA-N	0	0	166.264	3.102	10	0		AGAERN
C/C=C(\C)[C@]1(C)CCCC(=O)C1	205930621	344375175	/nfs/dbraw/zinc/37/51/75/344375175.db2.gz	LQKJHJPOECGBBE-VCFDLTMXSA-N	0	0	166.264	3.102	10	0		AGAERN
CCCCC[C@@H](C)SC(C)=O	206792365	344375547	/nfs/dbraw/zinc/37/55/47/344375547.db2.gz	PDRWRNLWASQTHN-MRVPVSSYSA-N	0	0	174.309	3.235	10	0		AGAERN
CCCCC[C@H](C)SC(C)=O	206792410	344375729	/nfs/dbraw/zinc/37/57/29/344375729.db2.gz	PDRWRNLWASQTHN-QMMMGPOBSA-N	0	0	174.309	3.235	10	0		AGAERN
CC(C)[C@H](C)C1SCCCS1	207299818	344375929	/nfs/dbraw/zinc/37/59/29/344375929.db2.gz	FXTYJPAEPDXNMT-QMMMGPOBSA-N	0	0	190.377	3.475	10	0		AGAERN
c1ccc([C@H]2C[C@H]2c2ccccn2)cc1	207473483	344376131	/nfs/dbraw/zinc/37/61/31/344376131.db2.gz	SKXABQXFQNUUEN-CHWSQXEVSA-N	0	0	195.265	3.353	10	0		AGAERN
c1ccc([C@@H]2C[C@@H]2c2ccccn2)cc1	207473437	344376184	/nfs/dbraw/zinc/37/61/84/344376184.db2.gz	SKXABQXFQNUUEN-STQMWFEESA-N	0	0	195.265	3.353	10	0		AGAERN
CCCC/C=C/C=C\CCCO	209012232	344376500	/nfs/dbraw/zinc/37/65/00/344376500.db2.gz	YFKOGZCPDXKVHD-MDAAKZFYSA-N	0	0	168.280	3.062	10	0		AGAERN
C=CC[C@H](C)C(=O)C1CCCCC1	208886183	344376578	/nfs/dbraw/zinc/37/65/78/344376578.db2.gz	VEVZVINYCVJKAY-JTQLQIEISA-N	0	0	180.291	3.348	10	0		AGAERN
C/C=C/c1cc2ccccc2n1C	210790167	344377288	/nfs/dbraw/zinc/37/72/88/344377288.db2.gz	AEWOIGLHVVQJAF-ZZXKWVIFSA-N	0	0	171.243	3.211	10	0		AGAERN
Cc1ncsc1[C@@H]1C[C@@H]2C=C[C@H]1C2	211715473	344378597	/nfs/dbraw/zinc/37/85/97/344378597.db2.gz	CTOANQDLQDVWSC-KXUCPTDWSA-N	0	0	191.299	3.131	10	0		AGAERN
CC(C)c1ccc2[nH]c(C=O)cc2c1	212085966	344379614	/nfs/dbraw/zinc/37/96/14/344379614.db2.gz	YYIZTLJYLQRDLM-UHFFFAOYSA-N	0	0	187.242	3.104	10	0		AGAERN
Cc1ccc(/C=C/CCCCO)cc1	212593671	344380394	/nfs/dbraw/zinc/38/03/94/344380394.db2.gz	PKCHVAQGRBCHCY-GQCTYLIASA-N	0	0	190.286	3.171	10	0		AGAERN
CCC[C@@H](C)C(O)[C@H](C)CCC	212842965	344380463	/nfs/dbraw/zinc/38/04/63/344380463.db2.gz	BMQHYGGEHXVXPT-NXEZZACHSA-N	0	0	172.312	3.220	10	0		AGAERN
Cc1cc2c(ccn2C)cc1Cl	212842550	344380467	/nfs/dbraw/zinc/38/04/67/344380467.db2.gz	IBFCZFQDIPRLAG-UHFFFAOYSA-N	0	0	179.650	3.140	10	0		AGAERN
C/C=C\CSCCCCC	213516072	344381157	/nfs/dbraw/zinc/38/11/57/344381157.db2.gz	FCJQINLCBVYNOG-XQRVVYSFSA-N	0	0	158.310	3.486	10	0		AGAERN
C/C=C(/C)[C@]1(C)CCCC(=O)C1	213904105	344381895	/nfs/dbraw/zinc/38/18/95/344381895.db2.gz	LQKJHJPOECGBBE-KSHIFHCESA-N	0	0	166.264	3.102	10	0		AGAERN
C/C=C(/C)[C@@]1(C)CCCC(=O)C1	213904161	344382093	/nfs/dbraw/zinc/38/20/93/344382093.db2.gz	LQKJHJPOECGBBE-NJHLSQGMSA-N	0	0	166.264	3.102	10	0		AGAERN
CC(=O)O[C@@H]1C[C@@H](C(C)C)CC[C@H]1C	214184340	344382290	/nfs/dbraw/zinc/38/22/90/344382290.db2.gz	JAKFDYGDDRCJLY-ADEWGFFLSA-N	0	0	198.306	3.010	10	0		AGAERN
Fc1ccc(/C=C\C(F)(F)F)cc1	214661700	344382672	/nfs/dbraw/zinc/38/26/72/344382672.db2.gz	MQMWIJGWLZLYOO-WAYWQWQTSA-N	0	0	190.139	3.401	10	0		AGAERN
CC1(C)C(=O)CC[C@@H]2CCCC[C@@H]21	214820910	344383320	/nfs/dbraw/zinc/38/33/20/344383320.db2.gz	BESSZDPONXXKDR-UWVGGRQHSA-N	0	0	180.291	3.182	10	0		AGAERN
CCCNc1c(F)ccc(C)c1F	214839803	344383591	/nfs/dbraw/zinc/38/35/91/344383591.db2.gz	CVTHYDYPAFEXKJ-UHFFFAOYSA-N	0	0	185.217	3.095	10	0		AGAERN
CC(=O)c1ccc(C2=CCCC2)cc1	214884969	344383669	/nfs/dbraw/zinc/38/36/69/344383669.db2.gz	JNVOCLKTSMFQNL-UHFFFAOYSA-N	0	0	186.254	3.457	10	0		AGAERN
Cc1ccc(F)c(NC(C)C)c1F	214831470	344383733	/nfs/dbraw/zinc/38/37/33/344383733.db2.gz	GBYGMTDWDFCUNM-UHFFFAOYSA-N	0	0	185.217	3.094	10	0		AGAERN
Cc1ccc(Oc2cnccc2C)cc1	214960030	344384414	/nfs/dbraw/zinc/38/44/14/344384414.db2.gz	LWFDYUPEFVQBFY-UHFFFAOYSA-N	0	0	199.253	3.491	10	0		AGAERN
Cc1ccc(F)c(NCC2CC2)c1F	215076336	344385413	/nfs/dbraw/zinc/38/54/13/344385413.db2.gz	QGRKWJGVMVFPLM-UHFFFAOYSA-N	0	0	197.228	3.095	10	0		AGAERN
Cc1ccc(F)c(NC2CCC2)c1F	215070457	344385486	/nfs/dbraw/zinc/38/54/86/344385486.db2.gz	ZPYJTNJQOONLPO-UHFFFAOYSA-N	0	0	197.228	3.238	10	0		AGAERN
C/C(=C\Br)C(C)(C)C	215184277	344386712	/nfs/dbraw/zinc/38/67/12/344386712.db2.gz	NEURMCREFABFGU-AATRIKPKSA-N	0	0	177.085	3.331	10	0		AGAERN
Cc1ccc([C@@H]2CC[C@H](C)O2)cc1	215760363	344391855	/nfs/dbraw/zinc/39/18/55/344391855.db2.gz	BOZLMAXPGAFHAO-JQWIXIFHSA-N	0	0	176.259	3.235	10	0		AGAERN
Nc1ccc(C2=CCCCC2)cc1F	215758543	344392004	/nfs/dbraw/zinc/39/20/04/344392004.db2.gz	WBVBEBVURULVRP-UHFFFAOYSA-N	0	0	191.249	3.365	10	0		AGAERN
Cc1ccc([C@H]2CC[C@@H](C)O2)cc1	215760459	344392033	/nfs/dbraw/zinc/39/20/33/344392033.db2.gz	BOZLMAXPGAFHAO-ZYHUDNBSSA-N	0	0	176.259	3.235	10	0		AGAERN
Cc1ccc([C@H]2CC[C@H](C)O2)cc1	215760410	344392104	/nfs/dbraw/zinc/39/21/04/344392104.db2.gz	BOZLMAXPGAFHAO-CMPLNLGQSA-N	0	0	176.259	3.235	10	0		AGAERN
CC(C)Cc1ccc(C=O)cc1Cl	217046886	344400379	/nfs/dbraw/zinc/40/03/79/344400379.db2.gz	HTUBEAQKSZEVLS-UHFFFAOYSA-N	0	0	196.677	3.351	10	0		AGAERN
CC1=CCC[C@@]2(C)CCC(=O)C[C@H]12	218010261	344408822	/nfs/dbraw/zinc/40/88/22/344408822.db2.gz	ATQYMLVXJVFWDZ-NEPJUHHUSA-N	0	0	178.275	3.102	10	0		AGAERN
OCc1c(C2CC2)ccc2ccccc12	218148628	344409693	/nfs/dbraw/zinc/40/96/93/344409693.db2.gz	GSFFTRKDJCOREU-UHFFFAOYSA-N	0	0	198.265	3.210	10	0		AGAERN
CC(C)CC[C@@H](CCO)C(C)C	218447285	344412350	/nfs/dbraw/zinc/41/23/50/344412350.db2.gz	MFAYHRPMRFWSLG-NSHDSACASA-N	0	0	172.312	3.077	10	0		AGAERN
CC(C)CC[C@H](CCO)C(C)C	218447358	344412278	/nfs/dbraw/zinc/41/22/78/344412278.db2.gz	MFAYHRPMRFWSLG-LLVKDONJSA-N	0	0	172.312	3.077	10	0		AGAERN
C=C[C@@H](C)CC[C@@H](C(=C)C)C(C)=O	218491010	344412805	/nfs/dbraw/zinc/41/28/05/344412805.db2.gz	AHDUFOUGTKONPD-PWSUYJOCSA-N	0	0	180.291	3.370	10	0		AGAERN
C=C[C@H](C)CC[C@@H](C(=C)C)C(C)=O	218491098	344412818	/nfs/dbraw/zinc/41/28/18/344412818.db2.gz	AHDUFOUGTKONPD-JQWIXIFHSA-N	0	0	180.291	3.370	10	0		AGAERN
C=C[C@@H](C)CC[C@H](C(=C)C)C(C)=O	218491182	344412864	/nfs/dbraw/zinc/41/28/64/344412864.db2.gz	AHDUFOUGTKONPD-ZYHUDNBSSA-N	0	0	180.291	3.370	10	0		AGAERN
C=C[C@H](C)CC[C@H](C(=C)C)C(C)=O	218491245	344412920	/nfs/dbraw/zinc/41/29/20/344412920.db2.gz	AHDUFOUGTKONPD-CMPLNLGQSA-N	0	0	180.291	3.370	10	0		AGAERN
CC[C@H](CC(C)=O)c1ccc(C)cc1	218731523	344415224	/nfs/dbraw/zinc/41/52/24/344415224.db2.gz	KGTSQRPUCPRLBS-GFCCVEGCSA-N	0	0	190.286	3.468	10	0		AGAERN
CCC[C@@]1(C)CNc2ccccc21	218916074	344417773	/nfs/dbraw/zinc/41/77/73/344417773.db2.gz	QTKKJQAWLMPBCC-LBPRGKRZSA-N	0	0	175.275	3.170	10	0		AGAERN
CC(C)[C@@]1(C)CNc2ccccc21	218915907	344417807	/nfs/dbraw/zinc/41/78/07/344417807.db2.gz	KQPVGZAXVGDYNO-GFCCVEGCSA-N	0	0	175.275	3.026	10	0		AGAERN
CC(C)[C@]1(C)CNc2ccccc21	218915847	344417893	/nfs/dbraw/zinc/41/78/93/344417893.db2.gz	KQPVGZAXVGDYNO-LBPRGKRZSA-N	0	0	175.275	3.026	10	0		AGAERN
CCC[C@]1(C)CNc2ccccc21	218916004	344417909	/nfs/dbraw/zinc/41/79/09/344417909.db2.gz	QTKKJQAWLMPBCC-GFCCVEGCSA-N	0	0	175.275	3.170	10	0		AGAERN
Clc1ncccc1-c1ccsc1	218913220	344418146	/nfs/dbraw/zinc/41/81/46/344418146.db2.gz	JHBIKYYSLFCTCS-UHFFFAOYSA-N	0	0	195.674	3.464	10	0		AGAERN
Cc1cc(F)c(C(F)F)cc1C	218931294	344418276	/nfs/dbraw/zinc/41/82/76/344418276.db2.gz	WMUZBPLDQMYUQG-UHFFFAOYSA-N	0	0	174.165	3.380	10	0		AGAERN
COc1cc(C(F)F)c(F)cc1C	219031248	344419138	/nfs/dbraw/zinc/41/91/38/344419138.db2.gz	NPOQMVPBLCRFJN-UHFFFAOYSA-N	0	0	190.164	3.080	10	0		AGAERN
CCCNc1nsc2ccccc12	219107206	344420148	/nfs/dbraw/zinc/42/01/48/344420148.db2.gz	PBBIEQRRJOXFFC-UHFFFAOYSA-N	0	0	192.287	3.118	10	0		AGAERN
CC1(C)CCC[C@@H](c2ccncn2)C1	219175831	344421037	/nfs/dbraw/zinc/42/10/37/344421037.db2.gz	BDUZETXEWPSTRH-SNVBAGLBSA-N	0	0	190.290	3.160	10	0		AGAERN
CC1(C)CCC[C@H](c2ccncn2)C1	219175747	344421167	/nfs/dbraw/zinc/42/11/67/344421167.db2.gz	BDUZETXEWPSTRH-JTQLQIEISA-N	0	0	190.290	3.160	10	0		AGAERN
CCC[C@H](O)[C@@H]1C[C@@H](C)CC[C@@H]1C	219285300	344422001	/nfs/dbraw/zinc/42/20/01/344422001.db2.gz	PXDXJXXERVZFCN-YFKTTZPYSA-N	0	0	184.323	3.220	10	0		AGAERN
COc1cc(C)c(C(F)F)c(C)c1	219365244	344423137	/nfs/dbraw/zinc/42/31/37/344423137.db2.gz	OJOJMJAJVRBFMQ-UHFFFAOYSA-N	0	0	186.201	3.250	10	0		AGAERN
Cc1ccc(-c2cc(C)c[nH]2)cc1	219414860	344423464	/nfs/dbraw/zinc/42/34/64/344423464.db2.gz	ZZXXARUPVAGHLZ-UHFFFAOYSA-N	0	0	171.243	3.299	10	0		AGAERN
CCCCC1=C[C@@H](O)CCCC1	219517365	344424670	/nfs/dbraw/zinc/42/46/70/344424670.db2.gz	POAODQNLXOQZRK-NSHDSACASA-N	0	0	168.280	3.038	10	0		AGAERN
CCCCC1=C[C@H](O)CCCC1	219517454	344424646	/nfs/dbraw/zinc/42/46/46/344424646.db2.gz	POAODQNLXOQZRK-LLVKDONJSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1ccc(-c2ccc(F)cn2)cc1	219873010	344428718	/nfs/dbraw/zinc/42/87/18/344428718.db2.gz	MHVWWSBVGCYSFP-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
CC(C)=C[C@]1(O)CC[C@H](C)C[C@@H]1C	219897133	344428765	/nfs/dbraw/zinc/42/87/65/344428765.db2.gz	DQVULLYTXBEGIV-SDDRHHMPSA-N	0	0	182.307	3.140	10	0		AGAERN
CC(C)=C[C@]1(O)CC[C@@H](C)C[C@@H]1C	219897064	344428837	/nfs/dbraw/zinc/42/88/37/344428837.db2.gz	DQVULLYTXBEGIV-GRYCIOLGSA-N	0	0	182.307	3.140	10	0		AGAERN
CC(C)=C[C@]1(O)CCC[C@@H](C)[C@@H]1C	219896787	344428887	/nfs/dbraw/zinc/42/88/87/344428887.db2.gz	UKUHRTUBVXJQQL-GRYCIOLGSA-N	0	0	182.307	3.140	10	0		AGAERN
CC(C)=C[C@]1(O)CCC[C@H](C)[C@@H]1C	219896854	344429010	/nfs/dbraw/zinc/42/90/10/344429010.db2.gz	UKUHRTUBVXJQQL-SDDRHHMPSA-N	0	0	182.307	3.140	10	0		AGAERN
CC(C)=C[C@H](O)[C@H]1CCC[C@@H](C)C1	219897577	344429246	/nfs/dbraw/zinc/42/92/46/344429246.db2.gz	ZLJQTBFUEBTLOU-WOPDTQHZSA-N	0	0	182.307	3.140	10	0		AGAERN
CC(C)=C[C@H](O)[C@@H]1CCC[C@@H](C)C1	219897535	344429335	/nfs/dbraw/zinc/42/93/35/344429335.db2.gz	ZLJQTBFUEBTLOU-UTUOFQBUSA-N	0	0	182.307	3.140	10	0		AGAERN
C=Cc1ccc(COC)cc1Cl	220019844	344429822	/nfs/dbraw/zinc/42/98/22/344429822.db2.gz	CQFNLUYRLOGIKT-UHFFFAOYSA-N	0	0	182.650	3.129	10	0		AGAERN
C/C=C/CNc1cccc(CC)c1	220128347	344430667	/nfs/dbraw/zinc/43/06/67/344430667.db2.gz	NSWZVTADWSELLV-HWKANZROSA-N	0	0	175.275	3.237	10	0		AGAERN
C/C=C/CNc1cccc(Cl)c1	220119960	344430483	/nfs/dbraw/zinc/43/04/83/344430483.db2.gz	RKSPHMWUESEBGG-NSCUHMNNSA-N	0	0	181.666	3.328	10	0		AGAERN
C/C=C/CNc1ccc(C)cc1C	220134245	344430513	/nfs/dbraw/zinc/43/05/13/344430513.db2.gz	NBUVLFLXIAJHLB-SNAWJCMRSA-N	0	0	175.275	3.291	10	0		AGAERN
C/C=C/CNc1cccc(C)c1C	220134056	344430530	/nfs/dbraw/zinc/43/05/30/344430530.db2.gz	HMXXXWVRJPOIKU-SNAWJCMRSA-N	0	0	175.275	3.291	10	0		AGAERN
C/C=C/CNc1ccc(C)c(C)c1	220119169	344430544	/nfs/dbraw/zinc/43/05/44/344430544.db2.gz	YSRFNEMJQZJXNI-SNAWJCMRSA-N	0	0	175.275	3.291	10	0		AGAERN
C/C=C/CNc1ccc(F)c(Cl)c1	220124648	344430590	/nfs/dbraw/zinc/43/05/90/344430590.db2.gz	MMYHMHKZRFXSRF-NSCUHMNNSA-N	0	0	199.656	3.467	10	0		AGAERN
C/C=C/CNc1cc(C)cc(C)c1	220124922	344430594	/nfs/dbraw/zinc/43/05/94/344430594.db2.gz	CLSDTGGIPHIIBH-SNAWJCMRSA-N	0	0	175.275	3.291	10	0		AGAERN
C/C=C/CNc1ccc(C)c(F)c1	220125747	344430642	/nfs/dbraw/zinc/43/06/42/344430642.db2.gz	UADDPUDTGUJLAY-ONEGZZNKSA-N	0	0	179.238	3.122	10	0		AGAERN
C/C=C/CNc1ccccc1Cl	220134730	344430658	/nfs/dbraw/zinc/43/06/58/344430658.db2.gz	ZAJFLWDTZLAWMQ-NSCUHMNNSA-N	0	0	181.666	3.328	10	0		AGAERN
C/C=C/CNc1cc(C)ccc1C	220133441	344430663	/nfs/dbraw/zinc/43/06/63/344430663.db2.gz	IKZBCADCJHOYJD-SNAWJCMRSA-N	0	0	175.275	3.291	10	0		AGAERN
CC(C)(CO)C/C=C/c1ccccc1	220223930	344430939	/nfs/dbraw/zinc/43/09/39/344430939.db2.gz	GEIUFRZQLBIHPD-RMKNXTFCSA-N	0	0	190.286	3.108	10	0		AGAERN
C/C=C/CNc1ccc(F)cc1C	220143394	344430990	/nfs/dbraw/zinc/43/09/90/344430990.db2.gz	YZPPGZYFNYJHIY-ONEGZZNKSA-N	0	0	179.238	3.122	10	0		AGAERN
CC[C@@H]1Cc2c(N)cccc2C1(C)C	220173644	344431149	/nfs/dbraw/zinc/43/11/49/344431149.db2.gz	DYCXGNLXDIJHHV-SECBINFHSA-N	0	0	189.302	3.129	10	0		AGAERN
CC[C@@H](C)OCc1ccc(OC)cc1	220647986	344433867	/nfs/dbraw/zinc/43/38/67/344433867.db2.gz	MMBYDMOTAUJPNO-SNVBAGLBSA-N	0	0	194.274	3.010	10	0		AGAERN
CC[C@H](C)OCc1ccc(OC)cc1	220648057	344433924	/nfs/dbraw/zinc/43/39/24/344433924.db2.gz	MMBYDMOTAUJPNO-JTQLQIEISA-N	0	0	194.274	3.010	10	0		AGAERN
Fc1ccc(NC2CC2)c(Cl)c1	220691151	344434469	/nfs/dbraw/zinc/43/44/69/344434469.db2.gz	UDEHQVQNLYVWOU-UHFFFAOYSA-N	0	0	185.629	3.053	10	0		AGAERN
CCc1ccncc1Oc1ccccc1	220711035	344434654	/nfs/dbraw/zinc/43/46/54/344434654.db2.gz	YCIMKGBGTDXPNV-UHFFFAOYSA-N	0	0	199.253	3.436	10	0		AGAERN
CC(C)C(=O)[C@H]1CC[C@@H](C)C[C@@H]1C	220833332	344435732	/nfs/dbraw/zinc/43/57/32/344435732.db2.gz	CZVCCEQFIVUNCG-VWYCJHECSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)C(=O)[C@H]1C[C@H](C)CC[C@@H]1C	220833785	344435740	/nfs/dbraw/zinc/43/57/40/344435740.db2.gz	RNHQVOBVVYUQRC-VWYCJHECSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)C(=O)[C@@H]1CCC[C@@H](C)[C@@H]1C	220832979	344435744	/nfs/dbraw/zinc/43/57/44/344435744.db2.gz	PYYROBLWICTNJP-OUAUKWLOSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)C(=O)[C@@H]1CCC[C@H](C)[C@@H]1C	220833108	344435867	/nfs/dbraw/zinc/43/58/67/344435867.db2.gz	PYYROBLWICTNJP-GARJFASQSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)C(=O)[C@@H]1CC[C@@H](C)C[C@@H]1C	220833266	344435890	/nfs/dbraw/zinc/43/58/90/344435890.db2.gz	CZVCCEQFIVUNCG-OUAUKWLOSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)[C@H](O)[C@@H]1C[C@@H](C)CC(C)(C)C1	220859989	344436397	/nfs/dbraw/zinc/43/63/97/344436397.db2.gz	UDJINLCOCOTEIG-UTUOFQBUSA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)[C@H](O)[C@H]1C[C@@H](C)CC(C)(C)C1	220860051	344436424	/nfs/dbraw/zinc/43/64/24/344436424.db2.gz	UDJINLCOCOTEIG-WOPDTQHZSA-N	0	0	198.350	3.466	10	0		AGAERN
C[C@H]1C[C@@H]([C@@](C)(O)C2CC2)CC[C@H]1C	221094695	344438122	/nfs/dbraw/zinc/43/81/22/344438122.db2.gz	FONSQUCKDOEZKL-URBCHYCLSA-N	0	0	196.334	3.220	10	0		AGAERN
CC[C@H](C)[C@H](O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	221120304	344438199	/nfs/dbraw/zinc/43/81/99/344438199.db2.gz	HULYWNDVLZJCFO-OFTGVCEQSA-N	0	0	198.350	3.466	10	0		AGAERN
CCSCCCCC(F)(F)F	221242517	344440770	/nfs/dbraw/zinc/44/07/70/344440770.db2.gz	HJIRCIAVGUYYAE-UHFFFAOYSA-N	0	0	186.242	3.472	10	0		AGAERN
CC[C@H]1CCN(CC)c2ccccc21	221416930	344442654	/nfs/dbraw/zinc/44/26/54/344442654.db2.gz	ISYJRMMBYRYORB-NSHDSACASA-N	0	0	189.302	3.410	10	0		AGAERN
CC/C=C\CCSCC	221387367	344442962	/nfs/dbraw/zinc/44/29/62/344442962.db2.gz	FYTYJZANQGJLSH-WAYWQWQTSA-N	0	0	144.283	3.096	10	0		AGAERN
CC[C@@H]1CCN(CC)c2ccccc21	221416877	344442981	/nfs/dbraw/zinc/44/29/81/344442981.db2.gz	ISYJRMMBYRYORB-LLVKDONJSA-N	0	0	189.302	3.410	10	0		AGAERN
Cl/C=C1/CCc2ccccc21	221576527	344444407	/nfs/dbraw/zinc/44/44/07/344444407.db2.gz	NOWHIYZBVIXDPJ-CLFYSBASSA-N	0	0	164.635	3.213	10	0		AGAERN
CC[C@@H]1CC[C@@H](O)[C@@H](CC(C)C)C1	221608067	344444939	/nfs/dbraw/zinc/44/49/39/344444939.db2.gz	UEVHSOHSFQLEQE-GRYCIOLGSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@@H]1CC[C@H](O)[C@@H](CC(C)C)C1	221608187	344445084	/nfs/dbraw/zinc/44/50/84/344445084.db2.gz	UEVHSOHSFQLEQE-WOPDTQHZSA-N	0	0	184.323	3.220	10	0		AGAERN
CS[C@H](C)c1ccc(F)cc1	221663257	344445114	/nfs/dbraw/zinc/44/51/14/344445114.db2.gz	BGAZAVMHHYQIEF-SSDOTTSWSA-N	0	0	170.252	3.250	10	0		AGAERN
CCc1c(O)ccc(Cl)c1Cl	222035978	344448359	/nfs/dbraw/zinc/44/83/59/344448359.db2.gz	CMFJSXATYDIMDZ-UHFFFAOYSA-N	0	0	191.057	3.261	10	0		AGAERN
CC(C)n1ccc2cnc(Cl)cc21	222092035	344449005	/nfs/dbraw/zinc/44/90/05/344449005.db2.gz	YPUAHUOXYQUYHG-UHFFFAOYSA-N	0	0	194.665	3.271	10	0		AGAERN
CCSc1cc(F)ccc1F	222251945	344450820	/nfs/dbraw/zinc/45/08/20/344450820.db2.gz	FTUNRANBRRFTJW-UHFFFAOYSA-N	0	0	174.215	3.077	10	0		AGAERN
C/C=C/[C@@H](C)Nc1cccc(F)c1	222276283	344451117	/nfs/dbraw/zinc/45/11/17/344451117.db2.gz	YJJXCEXNKRLWBX-HYYFJVDXSA-N	0	0	179.238	3.202	10	0		AGAERN
C/C=C/[C@H](C)Nc1cccc(F)c1	222276395	344451164	/nfs/dbraw/zinc/45/11/64/344451164.db2.gz	YJJXCEXNKRLWBX-SGRBOOSSSA-N	0	0	179.238	3.202	10	0		AGAERN
CC[C@@H](C)c1ccccc1C(C)=O	222351972	344451403	/nfs/dbraw/zinc/45/14/03/344451403.db2.gz	PVAIPUJTVFIUMO-SECBINFHSA-N	0	0	176.259	3.403	10	0		AGAERN
CC[C@H](C)[C@H]1C[C@@H](C)CCC1=O	222366071	344451471	/nfs/dbraw/zinc/45/14/71/344451471.db2.gz	WSHHDKVWDXSSTN-LPEHRKFASA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@@H](C)c1ccc(C)c(C)n1	222345647	344451477	/nfs/dbraw/zinc/45/14/77/344451477.db2.gz	HECCRAYGUVSBGU-MRVPVSSYSA-N	0	0	163.264	3.212	10	0		AGAERN
CC[C@H](C)c1ccccc1C(C)=O	222352019	344451497	/nfs/dbraw/zinc/45/14/97/344451497.db2.gz	PVAIPUJTVFIUMO-VIFPVBQESA-N	0	0	176.259	3.403	10	0		AGAERN
C[C@H]1C[C@H](C)CC[C@@]1(O)C1CCCC1	222343437	344451536	/nfs/dbraw/zinc/45/15/36/344451536.db2.gz	YYPMLBQDHYFJDJ-MDZLAQPJSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@H]1C[C@H](C)CC[C@]1(O)C1CCCC1	222343541	344451567	/nfs/dbraw/zinc/45/15/67/344451567.db2.gz	YYPMLBQDHYFJDJ-NTZNESFSSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@H](C)c1ccc(C)c(C)n1	222345708	344451583	/nfs/dbraw/zinc/45/15/83/344451583.db2.gz	HECCRAYGUVSBGU-QMMMGPOBSA-N	0	0	163.264	3.212	10	0		AGAERN
CC[C@H](C)[C@@H]1C[C@@H](C)CCC1=O	222365969	344451597	/nfs/dbraw/zinc/45/15/97/344451597.db2.gz	WSHHDKVWDXSSTN-GUBZILKMSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@H]1C[C@H]([C@@H](C)[C@H](C)O)CC[C@H]1C	222402857	344451913	/nfs/dbraw/zinc/45/19/13/344451913.db2.gz	GGMDBTDWGKMPAG-WTPMCQDGSA-N	0	0	184.323	3.076	10	0		AGAERN
CC(C)[C@H](O)C[C@@H]1CC[C@@H](C)[C@@H](C)C1	222400970	344452063	/nfs/dbraw/zinc/45/20/63/344452063.db2.gz	DGHKNPRWYXQWOS-YVECIDJPSA-N	0	0	198.350	3.466	10	0		AGAERN
C/C=C/C(=O)O[C@@H](C(C)C)[C@H](C)CC	222545256	344452932	/nfs/dbraw/zinc/45/29/32/344452932.db2.gz	REJRSPRNZIROCS-LXIAQJANSA-N	0	0	198.306	3.176	10	0		AGAERN
C/C=C/C(=O)O[C@H](C(C)C)[C@@H](C)CC	222545208	344452963	/nfs/dbraw/zinc/45/29/63/344452963.db2.gz	REJRSPRNZIROCS-YPRPKKHFSA-N	0	0	198.306	3.176	10	0		AGAERN
C/C=C/C(=O)O[C@@H](C(C)C)[C@@H](C)CC	222545323	344453130	/nfs/dbraw/zinc/45/31/30/344453130.db2.gz	REJRSPRNZIROCS-HFBQQIDPSA-N	0	0	198.306	3.176	10	0		AGAERN
C[C@H]1CC(C[C@@H](O)C2CC2)C[C@H](C)C1	222503420	344453189	/nfs/dbraw/zinc/45/31/89/344453189.db2.gz	WHGHMZUCRFEPHZ-GIPNMCIBSA-N	0	0	196.334	3.220	10	0		AGAERN
C/C=C/C(=O)O[C@H](C(C)C)[C@H](C)CC	222545143	344453216	/nfs/dbraw/zinc/45/32/16/344453216.db2.gz	REJRSPRNZIROCS-HSHKGWJESA-N	0	0	198.306	3.176	10	0		AGAERN
CC[C@@H]1CCC[C@@](O)([C@H](C)CC)C1	222596994	344453429	/nfs/dbraw/zinc/45/34/29/344453429.db2.gz	WOBGRLIGPIHPPF-UTUOFQBUSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)[C@]1(O)CC[C@@H](C)[C@@H](C)C1	222598126	344453453	/nfs/dbraw/zinc/45/34/53/344453453.db2.gz	CRCSYORGHQODQR-RHYQMDGZSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@@H]1CCC[C@](O)([C@H](C)CC)C1	222596925	344453620	/nfs/dbraw/zinc/45/36/20/344453620.db2.gz	WOBGRLIGPIHPPF-IJLUTSLNSA-N	0	0	184.323	3.364	10	0		AGAERN
Fc1cc(Cl)c2cccnc2c1	222805521	344454330	/nfs/dbraw/zinc/45/43/30/344454330.db2.gz	UHSOCSIKQRMRLP-UHFFFAOYSA-N	0	0	181.597	3.027	10	0		AGAERN
Cc1cc2ccsc2c(Cl)n1	222962363	344455677	/nfs/dbraw/zinc/45/56/77/344455677.db2.gz	IHMQUOUNCWZAAL-UHFFFAOYSA-N	0	0	183.663	3.258	10	0		AGAERN
C[C@H](c1cccc(C=O)c1)C1CC1	222955954	344455730	/nfs/dbraw/zinc/45/57/30/344455730.db2.gz	XHYIFDWIQSEGEH-VIFPVBQESA-N	0	0	174.243	3.013	10	0		AGAERN
C/C=C/COc1cccc(C)c1C	223010886	344455945	/nfs/dbraw/zinc/45/59/45/344455945.db2.gz	QGIMHRRDVPMTLA-SNAWJCMRSA-N	0	0	176.259	3.258	10	0		AGAERN
CS[C@@H](C)c1ccc(F)cc1	223031463	344455960	/nfs/dbraw/zinc/45/59/60/344455960.db2.gz	BGAZAVMHHYQIEF-ZETCQYMHSA-N	0	0	170.252	3.250	10	0		AGAERN
CSCC/C=C\c1ccccc1	223112024	344456763	/nfs/dbraw/zinc/45/67/63/344456763.db2.gz	VLPRSFPOPZQCIV-UITAMQMPSA-N	0	0	178.300	3.453	10	0		AGAERN
C=C(/C=C/c1ccccc1)OCC	223103026	344456856	/nfs/dbraw/zinc/45/68/56/344456856.db2.gz	OTMGWWSNCUTXDW-MDZDMXLPSA-N	0	0	174.243	3.250	10	0		AGAERN
CCN(CC)c1ccc(SC)cc1	223135966	344457424	/nfs/dbraw/zinc/45/74/24/344457424.db2.gz	WMOQFVWOWSIWEM-UHFFFAOYSA-N	0	0	195.331	3.255	10	0		AGAERN
CC1(C)CCC[C@]2(C)C[C@]12/C=C/CO	223350758	344460133	/nfs/dbraw/zinc/46/01/33/344460133.db2.gz	RGVKHZUADRDKPD-IURQOMBCSA-N	0	0	194.318	3.141	10	0		AGAERN
CCCCCCSN(C)CC	223365047	344460179	/nfs/dbraw/zinc/46/01/79/344460179.db2.gz	ZDRFLMSWIIXYPI-UHFFFAOYSA-N	0	0	175.341	3.167	10	0		AGAERN
CC(C)C(=O)C1CCC2(CC1)CC2	223597619	344460769	/nfs/dbraw/zinc/46/07/69/344460769.db2.gz	MFXKJFYCKSWRHU-UHFFFAOYSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1ccc(C(=O)C2(C)CC2)cc1F	223778322	344463781	/nfs/dbraw/zinc/46/37/81/344463781.db2.gz	RKNBVSVEOPUYEO-UHFFFAOYSA-N	0	0	192.233	3.117	10	0		AGAERN
CCc1cc(F)c(C)cc1C	223902740	344464297	/nfs/dbraw/zinc/46/42/97/344464297.db2.gz	RJQSPZMCIYJRIJ-UHFFFAOYSA-N	0	0	152.212	3.005	10	0		AGAERN
CCc1cc(F)c(Cl)cc1C	223906036	344464423	/nfs/dbraw/zinc/46/44/23/344464423.db2.gz	USJLTHYHHSVGQR-UHFFFAOYSA-N	0	0	172.630	3.350	10	0		AGAERN
CC(C)[C@H]1CC[C@@H](C)C[C@H]1[C@H](C)O	224027463	344465322	/nfs/dbraw/zinc/46/53/22/344465322.db2.gz	IRZHCQPTRXBMPW-KXNHARMFSA-N	0	0	184.323	3.076	10	0		AGAERN
COc1cccc(C)c1C(F)(F)F	224101073	344465601	/nfs/dbraw/zinc/46/56/01/344465601.db2.gz	XTINOONQABFXRH-UHFFFAOYSA-N	0	0	190.164	3.022	10	0		AGAERN
CC1(C)CCC(C)(C)[C@@H](C=O)C1	224065257	344465897	/nfs/dbraw/zinc/46/58/97/344465897.db2.gz	KHVZOFAHIWHYJF-SECBINFHSA-N	0	0	168.280	3.038	10	0		AGAERN
CC1(C)CCC(C)(C)[C@H](C=O)C1	224065204	344466011	/nfs/dbraw/zinc/46/60/11/344466011.db2.gz	KHVZOFAHIWHYJF-VIFPVBQESA-N	0	0	168.280	3.038	10	0		AGAERN
CCc1scnc1C(C)(C)C	224130996	344466277	/nfs/dbraw/zinc/46/62/77/344466277.db2.gz	LWBJWIKPORAGFE-UHFFFAOYSA-N	0	0	169.293	3.003	10	0		AGAERN
Cc1cc(C)c(O)c(-c2ccoc2)c1	224260947	344467373	/nfs/dbraw/zinc/46/73/73/344467373.db2.gz	ISPUENCDHQTPNU-UHFFFAOYSA-N	0	0	188.226	3.269	10	0		AGAERN
Cc1cc(-c2ccoc2)cc(C)c1O	224236435	344467606	/nfs/dbraw/zinc/46/76/06/344467606.db2.gz	BTODDHHYEXAUQK-UHFFFAOYSA-N	0	0	188.226	3.269	10	0		AGAERN
CC[C@H](C)C[C@H]1C[C@@H](C)CCC1=O	224521547	344470142	/nfs/dbraw/zinc/47/01/42/344470142.db2.gz	IRPYAAXFSPDSEU-DCAQKATOSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H](C)C[C@@H]1C[C@@H](C)CCC1=O	224521454	344470203	/nfs/dbraw/zinc/47/02/03/344470203.db2.gz	IRPYAAXFSPDSEU-GARJFASQSA-N	0	0	182.307	3.428	10	0		AGAERN
CC/C(=C/OC)c1ccccc1	224704447	344472744	/nfs/dbraw/zinc/47/27/44/344472744.db2.gz	NHPUVJVMZGEGAU-KTKRTIGZSA-N	0	0	162.232	3.084	10	0		AGAERN
CCOc1ccc(C)c(Cl)c1F	224805983	344473457	/nfs/dbraw/zinc/47/34/57/344473457.db2.gz	VOIIAGXJTIZMFE-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
CCC(=O)C(C)(C)C(C)(C)C	224869524	344474240	/nfs/dbraw/zinc/47/42/40/344474240.db2.gz	UFEIVGLFXJQANT-UHFFFAOYSA-N	0	0	156.269	3.038	10	0		AGAERN
C[C@H]1[C@@H](CCC(C)(C)C)CC[C@H]1O	224992111	344475632	/nfs/dbraw/zinc/47/56/32/344475632.db2.gz	COZARAVSJPNLOF-HBNTYKKESA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@@]1(C)[C@@H](c2cccs2)C[C@H]1O	225045946	344475750	/nfs/dbraw/zinc/47/57/50/344475750.db2.gz	VCUZNXRTZJGGMY-IEBDPFPHSA-N	0	0	196.315	3.013	10	0		AGAERN
CCc1c(C)ccc(Cl)c1F	224990047	344475849	/nfs/dbraw/zinc/47/58/49/344475849.db2.gz	SDRUCSAJENBYBK-UHFFFAOYSA-N	0	0	172.630	3.350	10	0		AGAERN
CC(=O)[C@@H](C)CC1CCC(C)CC1	225091977	344476155	/nfs/dbraw/zinc/47/61/55/344476155.db2.gz	WRQPWVGWOHWVIE-YZRBJQDESA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)[C@H](C)CC1CCC(C)CC1	225091942	344476166	/nfs/dbraw/zinc/47/61/66/344476166.db2.gz	WRQPWVGWOHWVIE-SQLBVSGCSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1[C@@](C)(O)C1CC1	225071977	344476360	/nfs/dbraw/zinc/47/63/60/344476360.db2.gz	GIMYBWCSPMSUFV-WXHSDQCUSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@H]1CCCC[C@H]1[C@@](C)(O)C1CC1	225072055	344476384	/nfs/dbraw/zinc/47/63/84/344476384.db2.gz	GIMYBWCSPMSUFV-RTXFEEFZSA-N	0	0	196.334	3.364	10	0		AGAERN
S=C=Nc1csc(Cl)c1	225071949	344476395	/nfs/dbraw/zinc/47/63/95/344476395.db2.gz	XXAGFHKIEVJRQK-UHFFFAOYSA-N	0	0	175.665	3.136	10	0		AGAERN
COc1ccc(Cl)c(C)c1Cl	225107435	344476835	/nfs/dbraw/zinc/47/68/35/344476835.db2.gz	WFHMDGOKTUPHLS-UHFFFAOYSA-N	0	0	191.057	3.310	10	0		AGAERN
CC[C@@H]1C(=O)[C@H](C)[C@@H]1c1cccs1	225147458	344477317	/nfs/dbraw/zinc/47/73/17/344477317.db2.gz	NADZTHXKHDOPIN-WEDXCCLWSA-N	0	0	194.299	3.077	10	0		AGAERN
CC[C@@H]1C(=O)[C@@H]2CCCCCC[C@@H]12	225148825	344477639	/nfs/dbraw/zinc/47/76/39/344477639.db2.gz	PJGZNFQIPSBEDD-GARJFASQSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@]1(C)C(=O)[C@@H]2CCCCC[C@@H]21	225150515	344477642	/nfs/dbraw/zinc/47/76/42/344477642.db2.gz	RLVTUBMLAPTPKJ-SCVCMEIPSA-N	0	0	180.291	3.182	10	0		AGAERN
CCc1cc(Cl)cc(F)c1C	225757016	344486505	/nfs/dbraw/zinc/48/65/05/344486505.db2.gz	QTLUREFBXDGHGO-UHFFFAOYSA-N	0	0	172.630	3.350	10	0		AGAERN
c1ccc(-c2ccn3ccccc23)nc1	225785212	344486898	/nfs/dbraw/zinc/48/68/98/344486898.db2.gz	FMOYRHJJAZCTRB-UHFFFAOYSA-N	0	0	194.237	3.001	10	0		AGAERN
CSCc1ccc(Cl)s1	225947635	344489415	/nfs/dbraw/zinc/48/94/15/344489415.db2.gz	GYTHIKBNGQCGMD-UHFFFAOYSA-N	0	0	178.709	3.265	10	0		AGAERN
CCC(=O)c1ccc(C)cc1Cl	226170637	344493901	/nfs/dbraw/zinc/49/39/01/344493901.db2.gz	IRNFOUGFDQSATN-UHFFFAOYSA-N	0	0	182.650	3.241	10	0		AGAERN
CCCSCC=C(C)C	226242582	344496168	/nfs/dbraw/zinc/49/61/68/344496168.db2.gz	BXLAKDIBEYDEQD-UHFFFAOYSA-N	0	0	144.283	3.096	10	0		AGAERN
COc1c(C)cccc1C(F)(F)F	226249261	344496214	/nfs/dbraw/zinc/49/62/14/344496214.db2.gz	VAUMVOWDZGLCPY-UHFFFAOYSA-N	0	0	190.164	3.022	10	0		AGAERN
C[C@@H]1C[C@H]1[C@@H](O)c1ccc(Cl)cc1	226409755	344502162	/nfs/dbraw/zinc/50/21/62/344502162.db2.gz	NEWKNFNSLACBIT-ONOSFVFSSA-N	0	0	196.677	3.029	10	0		AGAERN
C[C@@H]1C[C@@H]1[C@@H](O)c1ccc(Cl)cc1	226409746	344502319	/nfs/dbraw/zinc/50/23/19/344502319.db2.gz	NEWKNFNSLACBIT-GGVZMXCHSA-N	0	0	196.677	3.029	10	0		AGAERN
C/C=C/COc1ccc(C)c(F)c1	226439741	344503423	/nfs/dbraw/zinc/50/34/23/344503423.db2.gz	QMBYEPFFWSPLEO-ONEGZZNKSA-N	0	0	180.222	3.089	10	0		AGAERN
CC(C)OC(=O)[C@H]1CCCCC1(C)C	226623339	344509195	/nfs/dbraw/zinc/50/91/95/344509195.db2.gz	ZPEOAPPVODYBIX-SNVBAGLBSA-N	0	0	198.306	3.154	10	0		AGAERN
C[C@@H]1CCC[C@H]1[C@@H](O)c1cccs1	226654234	344509571	/nfs/dbraw/zinc/50/95/71/344509571.db2.gz	PDIDHLXFZBAYOQ-FXPVBKGRSA-N	0	0	196.315	3.218	10	0		AGAERN
C[C@@H]1CCC[C@@H]1[C@@H](O)c1cccs1	226654225	344509641	/nfs/dbraw/zinc/50/96/41/344509641.db2.gz	PDIDHLXFZBAYOQ-WCABBAIRSA-N	0	0	196.315	3.218	10	0		AGAERN
C[C@@H]1CCC[C@@H]1[C@@H](O)C1=CCCCC1	226658623	344509663	/nfs/dbraw/zinc/50/96/63/344509663.db2.gz	WYXLRXFJBJMHRE-WXHSDQCUSA-N	0	0	194.318	3.284	10	0		AGAERN
CCC(=O)c1cc(C)c(Cl)s1	226659346	344509668	/nfs/dbraw/zinc/50/96/68/344509668.db2.gz	LGTLEFVPSYYCJY-UHFFFAOYSA-N	0	0	188.679	3.303	10	0		AGAERN
C[C@@H]1CCC[C@H]1[C@@H](O)C1=CCCCC1	226658640	344509697	/nfs/dbraw/zinc/50/96/97/344509697.db2.gz	WYXLRXFJBJMHRE-RTXFEEFZSA-N	0	0	194.318	3.284	10	0		AGAERN
CCC[C@@H]1C[C@]1(O)[C@@H]1CCCC1(C)C	226703170	344510826	/nfs/dbraw/zinc/51/08/26/344510826.db2.gz	PDPVNUFLIYDJQC-NQBHXWOUSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC[C@@H]1C[C@@]1(O)[C@@H]1CCCC1(C)C	226703155	344510905	/nfs/dbraw/zinc/51/09/05/344510905.db2.gz	PDPVNUFLIYDJQC-WZRBSPASSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1(C)CCC[C@@H]1c1csc(N)n1	226775562	344513255	/nfs/dbraw/zinc/51/32/55/344513255.db2.gz	NOKUHKXYQMDBJC-SSDOTTSWSA-N	0	0	196.319	3.019	10	0		AGAERN
CC1(C)CCC[C@H]1c1csc(N)n1	226775567	344513264	/nfs/dbraw/zinc/51/32/64/344513264.db2.gz	NOKUHKXYQMDBJC-ZETCQYMHSA-N	0	0	196.319	3.019	10	0		AGAERN
C[C@@H]1CCC[C@@H]1C(=O)C1CCCC1	226778787	344513472	/nfs/dbraw/zinc/51/34/72/344513472.db2.gz	PRMLFLRZDHMKOS-KOLCDFICSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@H]1CCC[C@@H]1C(=O)CC1CCC1	226786837	344513476	/nfs/dbraw/zinc/51/34/76/344513476.db2.gz	KHFCCONNNCSXRU-ONGXEEELSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1CCC[C@H]1C(=O)C1CCCC1	226778802	344513576	/nfs/dbraw/zinc/51/35/76/344513576.db2.gz	PRMLFLRZDHMKOS-MWLCHTKSSA-N	0	0	180.291	3.182	10	0		AGAERN
CC(C)(C)C(=O)[C@H]1CCCC1(C)C	226785446	344513592	/nfs/dbraw/zinc/51/35/92/344513592.db2.gz	QUNFWFMOALNJFI-SECBINFHSA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@H]1CCC[C@@H]1C(=O)C1CCCC1	226778797	344513603	/nfs/dbraw/zinc/51/36/03/344513603.db2.gz	PRMLFLRZDHMKOS-ONGXEEELSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@H]1CCC[C@@H]1C(=O)C(C)(C)C	226785419	344513666	/nfs/dbraw/zinc/51/36/66/344513666.db2.gz	ZWWWMXRGOFDRCD-IUCAKERBSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@@H]1CCC[C@@H]1C(=O)CC1CCC1	226786831	344513745	/nfs/dbraw/zinc/51/37/45/344513745.db2.gz	KHFCCONNNCSXRU-KOLCDFICSA-N	0	0	180.291	3.182	10	0		AGAERN
CC(C)(C)C(=O)[C@@H]1CCCC1(C)C	226785439	344513702	/nfs/dbraw/zinc/51/37/02/344513702.db2.gz	QUNFWFMOALNJFI-VIFPVBQESA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@H]1CCC[C@H]1C(=O)C(C)(C)C	226785431	344513715	/nfs/dbraw/zinc/51/37/15/344513715.db2.gz	ZWWWMXRGOFDRCD-DTWKUNHWSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@@H]1CCC[C@@H]1C(=O)C(C)(C)C	226785410	344513731	/nfs/dbraw/zinc/51/37/31/344513731.db2.gz	ZWWWMXRGOFDRCD-BDAKNGLRSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@H]1CCC[C@H]1C(=O)C1CCCC1	226778807	344513783	/nfs/dbraw/zinc/51/37/83/344513783.db2.gz	PRMLFLRZDHMKOS-GXSJLCMTSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1CCC[C@@H]1C(=O)c1ccsc1	226787740	344513884	/nfs/dbraw/zinc/51/38/84/344513884.db2.gz	ASSSPBKSBMYNPL-SCZZXKLOSA-N	0	0	194.299	3.367	10	0		AGAERN
C[C@@H]1CCC[C@H]1C(=O)CC1CCC1	226786842	344513912	/nfs/dbraw/zinc/51/39/12/344513912.db2.gz	KHFCCONNNCSXRU-MWLCHTKSSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@H]1CCC[C@@H]1C(=O)c1ccsc1	226787747	344513921	/nfs/dbraw/zinc/51/39/21/344513921.db2.gz	ASSSPBKSBMYNPL-WPRPVWTQSA-N	0	0	194.299	3.367	10	0		AGAERN
C[C@H]1CCC[C@H]1C(=O)c1ccsc1	226787762	344513995	/nfs/dbraw/zinc/51/39/95/344513995.db2.gz	ASSSPBKSBMYNPL-WCBMZHEXSA-N	0	0	194.299	3.367	10	0		AGAERN
CC1(C)CCCC[C@H]1C(=O)C1CC1	226789176	344514085	/nfs/dbraw/zinc/51/40/85/344514085.db2.gz	ILUXCHUUPWGTMS-JTQLQIEISA-N	0	0	180.291	3.182	10	0		AGAERN
CC1(C)CCCC[C@@H]1C(=O)C1CC1	226789172	344514140	/nfs/dbraw/zinc/51/41/40/344514140.db2.gz	ILUXCHUUPWGTMS-SNVBAGLBSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1CCC[C@H]1C(=O)c1ccsc1	226787755	344514188	/nfs/dbraw/zinc/51/41/88/344514188.db2.gz	ASSSPBKSBMYNPL-PSASIEDQSA-N	0	0	194.299	3.367	10	0		AGAERN
CC1(C)CCC[C@@H]1C(=O)C1CCC1	226800400	344514342	/nfs/dbraw/zinc/51/43/42/344514342.db2.gz	KPIQXHQPGNBLPK-SNVBAGLBSA-N	0	0	180.291	3.182	10	0		AGAERN
CC1(C)CCC[C@H]1C(=O)C1CCC1	226800407	344514521	/nfs/dbraw/zinc/51/45/21/344514521.db2.gz	KPIQXHQPGNBLPK-JTQLQIEISA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@H](C)C(=O)[C@H]1CCC[C@@H](C)C1	226989822	344518819	/nfs/dbraw/zinc/51/88/19/344518819.db2.gz	IPNDAWINRUJCQE-VWYCJHECSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H](C)C(=O)[C@@H]1CCC[C@@H](C)C1	226989802	344518831	/nfs/dbraw/zinc/51/88/31/344518831.db2.gz	IPNDAWINRUJCQE-OUAUKWLOSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H](C)[C@H](O)[C@@H]1CCC[C@@H](C)C1	226984417	344518891	/nfs/dbraw/zinc/51/88/91/344518891.db2.gz	NTHZQKBGXGEZDQ-KXNHARMFSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@H]1CC[C@@H](C)C/C1=C\[C@H](C)O	227176363	344524633	/nfs/dbraw/zinc/52/46/33/344524633.db2.gz	KLNNGPBGTMDKBF-VHTPYLAGSA-N	0	0	196.334	3.386	10	0		AGAERN
C1=C[C@@H]2[C@H](C1)C[C@H]2Nc1ccsc1	227281430	344527139	/nfs/dbraw/zinc/52/71/39/344527139.db2.gz	OPWUHWRLBSEMMN-FBIMIBRVSA-N	0	0	191.299	3.125	10	0		AGAERN
C1=C[C@@H]2[C@@H](C1)C[C@H]2Nc1ccsc1	227281423	344527417	/nfs/dbraw/zinc/52/74/17/344527417.db2.gz	OPWUHWRLBSEMMN-JMJZKYOTSA-N	0	0	191.299	3.125	10	0		AGAERN
C[C@@H]1CC[C@H]([C@@H](O)c2ccsc2)C1	227386391	344529989	/nfs/dbraw/zinc/52/99/89/344529989.db2.gz	XOROAEZMRPZRBD-WCABBAIRSA-N	0	0	196.315	3.218	10	0		AGAERN
C[C@@H]1CC[C@@H]([C@@H](O)c2ccsc2)C1	227386379	344529979	/nfs/dbraw/zinc/52/99/79/344529979.db2.gz	XOROAEZMRPZRBD-FXPVBKGRSA-N	0	0	196.315	3.218	10	0		AGAERN
CC/C(=C/[C@@H]1CCC[C@@H](C)C1)CO	227379176	344530124	/nfs/dbraw/zinc/53/01/24/344530124.db2.gz	SETNHOMLNIXFNL-ANRSTRNGSA-N	0	0	182.307	3.141	10	0		AGAERN
CCc1c[nH]c2c(C)cc(C)cc12	227558212	344534889	/nfs/dbraw/zinc/53/48/89/344534889.db2.gz	NHKPNBWEFHBBDS-UHFFFAOYSA-N	0	0	173.259	3.347	10	0		AGAERN
CC(C)=C[C@H](O)[C@@H]1CCC[C@H](C)C1	227566355	344535363	/nfs/dbraw/zinc/53/53/63/344535363.db2.gz	ZLJQTBFUEBTLOU-TUAOUCFPSA-N	0	0	182.307	3.140	10	0		AGAERN
CC(C)=C[C@H](O)[C@H]1CCC[C@H](C)C1	227566345	344535433	/nfs/dbraw/zinc/53/54/33/344535433.db2.gz	ZLJQTBFUEBTLOU-SRVKXCTJSA-N	0	0	182.307	3.140	10	0		AGAERN
CC(=O)[C@@H]1C[C@@H]1[C@@H]1CCC[C@@H](C)C1	227569185	344535436	/nfs/dbraw/zinc/53/54/36/344535436.db2.gz	ANUAIWOQICBDLB-KXGXSXBTSA-N	0	0	180.291	3.038	10	0		AGAERN
Fc1cc(Oc2ccccc2)ccn1	227638271	344540897	/nfs/dbraw/zinc/54/08/97/344540897.db2.gz	ZIRLHLSAWWEQAK-UHFFFAOYSA-N	0	0	189.189	3.013	10	0		AGAERN
CC[C@@H](Nc1ccnc(F)c1)C(C)C	227641827	344541315	/nfs/dbraw/zinc/54/13/15/344541315.db2.gz	LIFAYVQMQMVVEL-SNVBAGLBSA-N	0	0	196.269	3.067	10	0		AGAERN
CC(C)C[C@H](C)Nc1ccnc(F)c1	227640389	344541438	/nfs/dbraw/zinc/54/14/38/344541438.db2.gz	NQKNDNURESBLGL-VIFPVBQESA-N	0	0	196.269	3.067	10	0		AGAERN
CC(C)C[C@@H](C)Nc1ccnc(F)c1	227640384	344541465	/nfs/dbraw/zinc/54/14/65/344541465.db2.gz	NQKNDNURESBLGL-SECBINFHSA-N	0	0	196.269	3.067	10	0		AGAERN
CC[C@H](Nc1ccnc(F)c1)C(C)C	227641830	344541470	/nfs/dbraw/zinc/54/14/70/344541470.db2.gz	LIFAYVQMQMVVEL-JTQLQIEISA-N	0	0	196.269	3.067	10	0		AGAERN
Fc1cc(SC2CCCC2)ccn1	227647227	344541663	/nfs/dbraw/zinc/54/16/63/344541663.db2.gz	WHWPIHOUZRZNBS-UHFFFAOYSA-N	0	0	197.278	3.255	10	0		AGAERN
CC(C)(C)Sc1ccnc(F)c1	227646860	344541701	/nfs/dbraw/zinc/54/17/01/344541701.db2.gz	RFGRSVVIWYICEZ-UHFFFAOYSA-N	0	0	185.267	3.111	10	0		AGAERN
Fc1cc(Nc2ccsc2)ccn1	227645459	344541710	/nfs/dbraw/zinc/54/17/10/344541710.db2.gz	YQVOJGMBTKVBDR-UHFFFAOYSA-N	0	0	194.234	3.026	10	0		AGAERN
CCNc1cc(SC(C)C)ccn1	227673791	344543880	/nfs/dbraw/zinc/54/38/80/344543880.db2.gz	ZKCIOCGOLFPUIE-UHFFFAOYSA-N	0	0	196.319	3.014	10	0		AGAERN
CC1(Nc2ccnc(Cl)c2)CCC1	227688962	344544686	/nfs/dbraw/zinc/54/46/86/344544686.db2.gz	AFSHTXKKAAZOJV-UHFFFAOYSA-N	0	0	196.681	3.090	10	0		AGAERN
Cc1ccc(-c2cc(F)ccn2)s1	227689727	344544849	/nfs/dbraw/zinc/54/48/49/344544849.db2.gz	BNYSFORVNZERTB-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
CCC(C)(C)Nc1ccnc(Cl)c1	227685138	344545049	/nfs/dbraw/zinc/54/50/49/344545049.db2.gz	PIWLILLHXOBBKM-UHFFFAOYSA-N	0	0	198.697	3.336	10	0		AGAERN
CC[C@@](O)(c1ccsc1C)C(C)C	227746017	344545996	/nfs/dbraw/zinc/54/59/96/344545996.db2.gz	LGQOOSKEIMCMAW-NSHDSACASA-N	0	0	198.331	3.310	10	0		AGAERN
Cc1sccc1[C@](C)(O)C(C)(C)C	227751111	344546466	/nfs/dbraw/zinc/54/64/66/344546466.db2.gz	DQRLATWOLAEPKS-NSHDSACASA-N	0	0	198.331	3.310	10	0		AGAERN
Cc1sccc1[C@@](C)(O)C(C)(C)C	227751105	344546610	/nfs/dbraw/zinc/54/66/10/344546610.db2.gz	DQRLATWOLAEPKS-LLVKDONJSA-N	0	0	198.331	3.310	10	0		AGAERN
Cc1sccc1C(=O)C1(C)CC1	227774788	344547054	/nfs/dbraw/zinc/54/70/54/344547054.db2.gz	PAAFLZMUZZKUQR-UHFFFAOYSA-N	0	0	180.272	3.039	10	0		AGAERN
Cc1sccc1C(=O)C1CCCC1	227771477	344547072	/nfs/dbraw/zinc/54/70/72/344547072.db2.gz	BGDJTPPKGZMINM-UHFFFAOYSA-N	0	0	194.299	3.429	10	0		AGAERN
Cc1sccc1C(=O)C1CCC1	227772846	344547095	/nfs/dbraw/zinc/54/70/95/344547095.db2.gz	LDXTZXQRRROJSG-UHFFFAOYSA-N	0	0	180.272	3.039	10	0		AGAERN
Cc1sccc1C(=O)CC1CC1	227774816	344547239	/nfs/dbraw/zinc/54/72/39/344547239.db2.gz	AFHNUUDSOBWTIG-UHFFFAOYSA-N	0	0	180.272	3.039	10	0		AGAERN
Cc1sccc1C(=O)C(C)(C)C	227771390	344547274	/nfs/dbraw/zinc/54/72/74/344547274.db2.gz	NHGLKIIJIKGLJZ-UHFFFAOYSA-N	0	0	182.288	3.285	10	0		AGAERN
Cc1sccc1C(=O)CC(C)C	227771162	344547286	/nfs/dbraw/zinc/54/72/86/344547286.db2.gz	BCHVFCPLAMPPJB-UHFFFAOYSA-N	0	0	182.288	3.285	10	0		AGAERN
Cc1sccc1-c1ccccc1N	227808846	344548184	/nfs/dbraw/zinc/54/81/84/344548184.db2.gz	YCIIYKMCHXQBTR-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
Cc1sccc1-c1ccc(N)cc1	227808831	344548299	/nfs/dbraw/zinc/54/82/99/344548299.db2.gz	CYPSTDLITWMTHD-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
Cc1sccc1[C@H]1CCC(=O)[C@H]1C	227854490	344548763	/nfs/dbraw/zinc/54/87/63/344548763.db2.gz	YMLFYCKZAMHHES-CBAPKCEASA-N	0	0	194.299	3.139	10	0		AGAERN
Cc1sccc1[C@H]1CCCCC1=O	227851044	344548788	/nfs/dbraw/zinc/54/87/88/344548788.db2.gz	RTAVLLLATGKSAR-SNVBAGLBSA-N	0	0	194.299	3.283	10	0		AGAERN
Cc1sccc1[C@@H]1CCCC(=O)C1	227854217	344548806	/nfs/dbraw/zinc/54/88/06/344548806.db2.gz	VBKFZAXSHLMEJO-SECBINFHSA-N	0	0	194.299	3.283	10	0		AGAERN
Cc1sccc1[C@@H]1CCC(=O)[C@H]1C	227854484	344548841	/nfs/dbraw/zinc/54/88/41/344548841.db2.gz	YMLFYCKZAMHHES-IONNQARKSA-N	0	0	194.299	3.139	10	0		AGAERN
Cc1sccc1[C@H]1CCC(=O)[C@@H]1C	227854478	344548848	/nfs/dbraw/zinc/54/88/48/344548848.db2.gz	YMLFYCKZAMHHES-APPZFPTMSA-N	0	0	194.299	3.139	10	0		AGAERN
Cc1sccc1[C@@H]1CCCCC1=O	227851041	344548918	/nfs/dbraw/zinc/54/89/18/344548918.db2.gz	RTAVLLLATGKSAR-JTQLQIEISA-N	0	0	194.299	3.283	10	0		AGAERN
Cc1sccc1[C@@]1(C)CCC(=O)C1	227854555	344549001	/nfs/dbraw/zinc/54/90/01/344549001.db2.gz	NLBAZVPANWAXQH-NSHDSACASA-N	0	0	194.299	3.067	10	0		AGAERN
Cc1sccc1[C@]1(C)CCC(=O)C1	227854558	344549028	/nfs/dbraw/zinc/54/90/28/344549028.db2.gz	NLBAZVPANWAXQH-LLVKDONJSA-N	0	0	194.299	3.067	10	0		AGAERN
Cc1sccc1[C@@H]1CCC(=O)[C@@H]1C	227854474	344549057	/nfs/dbraw/zinc/54/90/57/344549057.db2.gz	YMLFYCKZAMHHES-VXNVDRBHSA-N	0	0	194.299	3.139	10	0		AGAERN
OC1([C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	227890022	344549956	/nfs/dbraw/zinc/54/99/56/344549956.db2.gz	BIBJEPRMVVERJQ-IJLUTSLNSA-N	0	0	194.318	3.118	10	0		AGAERN
CC(C)(C)[C@](C)(O)Cc1ccsc1	227976733	344553972	/nfs/dbraw/zinc/55/39/72/344553972.db2.gz	IBBWDFWNVGSHQD-LLVKDONJSA-N	0	0	198.331	3.088	10	0		AGAERN
CC(C)(C)[C@@](C)(O)C1CCCCC1	227979953	344554001	/nfs/dbraw/zinc/55/40/01/344554001.db2.gz	HMLXOMADHSXFKT-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)(C)[C@](C)(O)C1CCCCC1	227979962	344554151	/nfs/dbraw/zinc/55/41/51/344554151.db2.gz	HMLXOMADHSXFKT-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)(C)[C@@](C)(O)CC1CCCC1	227979494	344554177	/nfs/dbraw/zinc/55/41/77/344554177.db2.gz	FUZKGDCLYOKJTJ-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)(C)[C@@](C)(O)Cc1ccsc1	227976722	344554189	/nfs/dbraw/zinc/55/41/89/344554189.db2.gz	IBBWDFWNVGSHQD-NSHDSACASA-N	0	0	198.331	3.088	10	0		AGAERN
CC(C)(C)[C@](C)(O)CC1CCCC1	227979503	344554232	/nfs/dbraw/zinc/55/42/32/344554232.db2.gz	FUZKGDCLYOKJTJ-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
c1cn2cc(C3CCCC3)nc2s1	228004078	344554387	/nfs/dbraw/zinc/55/43/87/344554387.db2.gz	LDIJEGJNKLRQTQ-UHFFFAOYSA-N	0	0	192.287	3.053	10	0		AGAERN
Cc1csc2ncc(C(C)(C)C)n12	228005269	344554473	/nfs/dbraw/zinc/55/44/73/344554473.db2.gz	PACFEUCOPBVCEG-UHFFFAOYSA-N	0	0	194.303	3.002	10	0		AGAERN
Cc1ccc2nc(C(C)C)c(C)n2c1	228010565	344555054	/nfs/dbraw/zinc/55/50/54/344555054.db2.gz	UKBUFGGHFLKAOX-UHFFFAOYSA-N	0	0	188.274	3.075	10	0		AGAERN
CC[C@@H](C)c1cn2ccc(C)cc2n1	228016317	344555179	/nfs/dbraw/zinc/55/51/79/344555179.db2.gz	MZYULWONAUUHJE-SNVBAGLBSA-N	0	0	188.274	3.156	10	0		AGAERN
CC[C@H](C)c1cn2cc(C)ccc2n1	228010421	344555214	/nfs/dbraw/zinc/55/52/14/344555214.db2.gz	GVQHKVHFMFERSP-JTQLQIEISA-N	0	0	188.274	3.156	10	0		AGAERN
CC[C@H](C)c1cn2cccc(C)c2n1	228017692	344555232	/nfs/dbraw/zinc/55/52/32/344555232.db2.gz	VEPVNZKVGIMMBD-VIFPVBQESA-N	0	0	188.274	3.156	10	0		AGAERN
CC[C@H](C)c1cn2ccc(C)cc2n1	228016328	344555338	/nfs/dbraw/zinc/55/53/38/344555338.db2.gz	MZYULWONAUUHJE-JTQLQIEISA-N	0	0	188.274	3.156	10	0		AGAERN
CC[C@@H](C)c1cn2cccc(C)c2n1	228017681	344555369	/nfs/dbraw/zinc/55/53/69/344555369.db2.gz	VEPVNZKVGIMMBD-SECBINFHSA-N	0	0	188.274	3.156	10	0		AGAERN
CC[C@@H](C)c1cn2cc(C)ccc2n1	228010412	344555381	/nfs/dbraw/zinc/55/53/81/344555381.db2.gz	GVQHKVHFMFERSP-SNVBAGLBSA-N	0	0	188.274	3.156	10	0		AGAERN
CC[C@@H](C)c1cn2c(C)cccc2n1	228012940	344555509	/nfs/dbraw/zinc/55/55/09/344555509.db2.gz	WWHKKIUMDJYAKG-SECBINFHSA-N	0	0	188.274	3.156	10	0		AGAERN
CC[C@H](C)c1cn2c(C)cccc2n1	228012953	344555659	/nfs/dbraw/zinc/55/56/59/344555659.db2.gz	WWHKKIUMDJYAKG-VIFPVBQESA-N	0	0	188.274	3.156	10	0		AGAERN
Cc1nc(Cl)ccc1NC1CCC1	228093612	344557036	/nfs/dbraw/zinc/55/70/36/344557036.db2.gz	VQWXECXOPKXOQC-UHFFFAOYSA-N	0	0	196.681	3.008	10	0		AGAERN
CC(C)(C)Nc1cc(Cl)ccc1N	228405672	344561850	/nfs/dbraw/zinc/56/18/50/344561850.db2.gz	NAAFGRBVKGIHGZ-UHFFFAOYSA-N	0	0	198.697	3.133	10	0		AGAERN
CCc1ccc(N[C@@H](C)C(F)F)cc1	228481292	344562455	/nfs/dbraw/zinc/56/24/55/344562455.db2.gz	SMFATHJRBLMNLT-QMMMGPOBSA-N	0	0	199.244	3.315	10	0		AGAERN
Cc1ccc(N[C@H](C)C(F)F)cc1	228481725	344562421	/nfs/dbraw/zinc/56/24/21/344562421.db2.gz	CCAFVAGFYMIOCW-MRVPVSSYSA-N	0	0	185.217	3.061	10	0		AGAERN
Cc1ccccc1N[C@H](C)C(F)F	228481874	344562445	/nfs/dbraw/zinc/56/24/45/344562445.db2.gz	HVMOFPLDROUBSY-MRVPVSSYSA-N	0	0	185.217	3.061	10	0		AGAERN
Cc1ccc(N[C@@H](C)C(F)F)cc1	228481719	344562517	/nfs/dbraw/zinc/56/25/17/344562517.db2.gz	CCAFVAGFYMIOCW-QMMMGPOBSA-N	0	0	185.217	3.061	10	0		AGAERN
Cc1cccc(N[C@H](C)C(F)F)c1C	228481698	344562549	/nfs/dbraw/zinc/56/25/49/344562549.db2.gz	LEPWRNLFBAAFGR-SECBINFHSA-N	0	0	199.244	3.369	10	0		AGAERN
CCc1ccc(N[C@H](C)C(F)F)cc1	228481299	344562580	/nfs/dbraw/zinc/56/25/80/344562580.db2.gz	SMFATHJRBLMNLT-MRVPVSSYSA-N	0	0	199.244	3.315	10	0		AGAERN
Cc1cc([C@@H](O)CC2CCC2)c(C)o1	228686296	344565994	/nfs/dbraw/zinc/56/59/94/344565994.db2.gz	IWHSETCEPDJXIU-LBPRGKRZSA-N	0	0	194.274	3.120	10	0		AGAERN
CC1([C@@H](O)c2ccsc2)CCCC1	228725793	344566752	/nfs/dbraw/zinc/56/67/52/344566752.db2.gz	LDOAJYRWEPFVRS-JTQLQIEISA-N	0	0	196.315	3.362	10	0		AGAERN
CC1([C@H](O)c2ccsc2)CCCC1	228725805	344566989	/nfs/dbraw/zinc/56/69/89/344566989.db2.gz	LDOAJYRWEPFVRS-SNVBAGLBSA-N	0	0	196.315	3.362	10	0		AGAERN
Cc1cncn1[C@@H]1CCC[C@@H](C)[C@H]1C	228729836	344567330	/nfs/dbraw/zinc/56/73/30/344567330.db2.gz	LRSYHDPFOCRGJI-YUSALJHKSA-N	0	0	192.306	3.189	10	0		AGAERN
Cc1cncn1[C@@H]1CCC[C@H](C)[C@H]1C	228729846	344567446	/nfs/dbraw/zinc/56/74/46/344567446.db2.gz	LRSYHDPFOCRGJI-MVWJERBFSA-N	0	0	192.306	3.189	10	0		AGAERN
Cc1nc(NC2(C)CCC2)sc1C	228889172	344573448	/nfs/dbraw/zinc/57/34/48/344573448.db2.gz	GNTMBDFBSTVJGN-UHFFFAOYSA-N	0	0	196.319	3.114	10	0		AGAERN
CC1(Nc2ncccc2Cl)CCC1	228888235	344573483	/nfs/dbraw/zinc/57/34/83/344573483.db2.gz	HZNQSZQTOLDOPL-UHFFFAOYSA-N	0	0	196.681	3.090	10	0		AGAERN
CC1(Nc2ccc(Cl)cn2)CCC1	228890141	344573731	/nfs/dbraw/zinc/57/37/31/344573731.db2.gz	DARLIOIPOOQKSS-UHFFFAOYSA-N	0	0	196.681	3.090	10	0		AGAERN
CC1(Nc2ccncc2Cl)CCC1	228890745	344574160	/nfs/dbraw/zinc/57/41/60/344574160.db2.gz	URYGZYVMKFNWSL-UHFFFAOYSA-N	0	0	196.681	3.090	10	0		AGAERN
CC1(Nc2cccc(Cl)n2)CCC1	228911133	344575045	/nfs/dbraw/zinc/57/50/45/344575045.db2.gz	DWCQCKFDMHXDGQ-UHFFFAOYSA-N	0	0	196.681	3.090	10	0		AGAERN
Cc1ccc(C)n1CCC1CCC1	229132479	344583213	/nfs/dbraw/zinc/58/32/13/344583213.db2.gz	CZKFAOJNUPRQJW-UHFFFAOYSA-N	0	0	177.291	3.295	10	0		AGAERN
C[C@@H]1CCC[C@H]([C@]2(O)C=CCCC2)C1	229164241	344584574	/nfs/dbraw/zinc/58/45/74/344584574.db2.gz	SHHJYEVSBIJHND-AGIUHOORSA-N	0	0	194.318	3.284	10	0		AGAERN
C[C@@H]1CCC[C@@H]([C@]2(O)C=CCCC2)C1	229164271	344584662	/nfs/dbraw/zinc/58/46/62/344584662.db2.gz	SHHJYEVSBIJHND-UPJWGTAASA-N	0	0	194.318	3.284	10	0		AGAERN
C[C@@H]1CCC[C@H](C(=O)[C@H](C)C2CC2)C1	229200121	344585696	/nfs/dbraw/zinc/58/56/96/344585696.db2.gz	HPJALGLUCZZKHN-FOGDFJRCSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@@H]1CCC[C@@H](C(=O)[C@H](C)C2CC2)C1	229200102	344585889	/nfs/dbraw/zinc/58/58/89/344585889.db2.gz	HPJALGLUCZZKHN-CKYFFXLPSA-N	0	0	194.318	3.428	10	0		AGAERN
CC[C@H](C)C(=O)C1(C)CCCC1	229248958	344587792	/nfs/dbraw/zinc/58/77/92/344587792.db2.gz	IVILQAXZTFKIAC-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H](C)C(=O)c1ccc(C)cc1F	229250199	344587821	/nfs/dbraw/zinc/58/78/21/344587821.db2.gz	FVIHMWCEPQWIIK-SECBINFHSA-N	0	0	194.249	3.363	10	0		AGAERN
CC[C@@H](C)C(=O)C1(C)CCCC1	229248948	344587826	/nfs/dbraw/zinc/58/78/26/344587826.db2.gz	IVILQAXZTFKIAC-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
CCc1ccccc1C(=O)[C@H](C)CC	229248712	344587879	/nfs/dbraw/zinc/58/78/79/344587879.db2.gz	QIWNDXHXPGLASB-SNVBAGLBSA-N	0	0	190.286	3.478	10	0		AGAERN
CC[C@H](C)C(=O)c1ccc(C)cc1F	229250210	344588003	/nfs/dbraw/zinc/58/80/03/344588003.db2.gz	FVIHMWCEPQWIIK-VIFPVBQESA-N	0	0	194.249	3.363	10	0		AGAERN
CCc1ccccc1C(=O)[C@@H](C)CC	229248723	344588109	/nfs/dbraw/zinc/58/81/09/344588109.db2.gz	QIWNDXHXPGLASB-JTQLQIEISA-N	0	0	190.286	3.478	10	0		AGAERN
Cc1ccoc1CNc1ccsc1	229478569	344597375	/nfs/dbraw/zinc/59/73/75/344597375.db2.gz	CPCANWQVFFEEIA-UHFFFAOYSA-N	0	0	193.271	3.262	10	0		AGAERN
CCC1(Nc2nc(C)cs2)CCC1	229512433	344599383	/nfs/dbraw/zinc/59/93/83/344599383.db2.gz	ZOAKMPORZUSIEB-UHFFFAOYSA-N	0	0	196.319	3.196	10	0		AGAERN
C1=C[C@H]2[C@@H](Nc3ccsc3)C[C@H]2C1	229513451	344599927	/nfs/dbraw/zinc/59/99/27/344599927.db2.gz	OPWUHWRLBSEMMN-IEBDPFPHSA-N	0	0	191.299	3.125	10	0		AGAERN
C1=C[C@@H]2[C@@H](C1)C[C@@H]2Nc1ccsc1	229513475	344600024	/nfs/dbraw/zinc/60/00/24/344600024.db2.gz	OPWUHWRLBSEMMN-GDPRMGEGSA-N	0	0	191.299	3.125	10	0		AGAERN
CCNc1nc2c(s1)CC[C@@H]2CC	229645728	344608567	/nfs/dbraw/zinc/60/85/67/344608567.db2.gz	SIILUOSBZARFHU-ZETCQYMHSA-N	0	0	196.319	3.015	10	0		AGAERN
CCNc1nc2c(s1)CC[C@H]2CC	229645737	344608789	/nfs/dbraw/zinc/60/87/89/344608789.db2.gz	SIILUOSBZARFHU-SSDOTTSWSA-N	0	0	196.319	3.015	10	0		AGAERN
C[C@@H](CC1CC1)Nc1ccsc1	229698614	344612238	/nfs/dbraw/zinc/61/22/38/344612238.db2.gz	MONGHWGJRBNCRD-QMMMGPOBSA-N	0	0	181.304	3.349	10	0		AGAERN
C[C@H](CC1CC1)Nc1ccsc1	229698619	344612318	/nfs/dbraw/zinc/61/23/18/344612318.db2.gz	MONGHWGJRBNCRD-MRVPVSSYSA-N	0	0	181.304	3.349	10	0		AGAERN
CC1CCC([C@@](C)(O)CC2CC2)CC1	229746685	344613547	/nfs/dbraw/zinc/61/35/47/344613547.db2.gz	AOJQSFGXBOXUBV-GDKBPFBDSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1CCC([C@](C)(O)CC2CC2)CC1	229746689	344613646	/nfs/dbraw/zinc/61/36/46/344613646.db2.gz	AOJQSFGXBOXUBV-KGPNIALWSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1ccc([C@](C)(O)CC2CC2)cc1	229745593	344613656	/nfs/dbraw/zinc/61/36/56/344613656.db2.gz	IVVFKQBWZKTWSP-CYBMUJFWSA-N	0	0	190.286	3.003	10	0		AGAERN
Cc1ccc([C@@](C)(O)CC2CC2)cc1	229745587	344613677	/nfs/dbraw/zinc/61/36/77/344613677.db2.gz	IVVFKQBWZKTWSP-ZDUSSCGKSA-N	0	0	190.286	3.003	10	0		AGAERN
CCCCc1cccc2c1CCC2=O	229825210	344617362	/nfs/dbraw/zinc/61/73/62/344617362.db2.gz	BVMVCECUKMAHBD-UHFFFAOYSA-N	0	0	188.270	3.158	10	0		AGAERN
CC(C)c1c([C@@H](C)C(C)C)noc1N	229848740	344618234	/nfs/dbraw/zinc/61/82/34/344618234.db2.gz	KZHLMHLFMBCANF-QMMMGPOBSA-N	0	0	196.294	3.140	10	0		AGAERN
CC(C)c1c(N)noc1[C@H](C)C(C)C	229860640	344618273	/nfs/dbraw/zinc/61/82/73/344618273.db2.gz	NWKKABMZMXLCTO-MRVPVSSYSA-N	0	0	196.294	3.140	10	0		AGAERN
CC(C)c1c([C@H](C)C(C)C)noc1N	229848735	344618280	/nfs/dbraw/zinc/61/82/80/344618280.db2.gz	KZHLMHLFMBCANF-MRVPVSSYSA-N	0	0	196.294	3.140	10	0		AGAERN
CC(C)c1c(N)noc1[C@@H](C)C(C)C	229860646	344618314	/nfs/dbraw/zinc/61/83/14/344618314.db2.gz	NWKKABMZMXLCTO-QMMMGPOBSA-N	0	0	196.294	3.140	10	0		AGAERN
CC[C@](C)(O)c1sccc1Cl	229922879	344620777	/nfs/dbraw/zinc/62/07/77/344620777.db2.gz	SNDDWLHDKUTALN-QMMMGPOBSA-N	0	0	190.695	3.019	10	0		AGAERN
CC[C@@](C)(O)c1sccc1Cl	229922875	344620874	/nfs/dbraw/zinc/62/08/74/344620874.db2.gz	SNDDWLHDKUTALN-MRVPVSSYSA-N	0	0	190.695	3.019	10	0		AGAERN
CCCNc1cc(F)cc(Cl)c1	229994767	344622383	/nfs/dbraw/zinc/62/23/83/344622383.db2.gz	JDUFKOORMADIRZ-UHFFFAOYSA-N	0	0	187.645	3.301	10	0		AGAERN
Fc1cc(Cl)cc(NC2CC2)c1	229995321	344622496	/nfs/dbraw/zinc/62/24/96/344622496.db2.gz	MRNXDIWKAJZKQB-UHFFFAOYSA-N	0	0	185.629	3.053	10	0		AGAERN
CCC[C@@H](C)c1nc(Cl)ns1	230113965	344626523	/nfs/dbraw/zinc/62/65/23/344626523.db2.gz	ACEPOQHEUVAREY-RXMQYKEDSA-N	0	0	190.699	3.095	10	0		AGAERN
CCC(CC)c1nc(Cl)ns1	230113400	344626639	/nfs/dbraw/zinc/62/66/39/344626639.db2.gz	REILQZHCEPYBIE-UHFFFAOYSA-N	0	0	190.699	3.095	10	0		AGAERN
CCC[C@H](C)c1nc(Cl)ns1	230113970	344626743	/nfs/dbraw/zinc/62/67/43/344626743.db2.gz	ACEPOQHEUVAREY-YFKPBYRVSA-N	0	0	190.699	3.095	10	0		AGAERN
Fc1ccc2[nH]cc(C3CC3)c2c1	230278970	344630377	/nfs/dbraw/zinc/63/03/77/344630377.db2.gz	OSUKYPSBCXLFBC-UHFFFAOYSA-N	0	0	175.206	3.184	10	0		AGAERN
COc1cccc2c(C3CC3)c[nH]c12	230278955	344630499	/nfs/dbraw/zinc/63/04/99/344630499.db2.gz	WDJCFYAEOBWEHL-UHFFFAOYSA-N	0	0	187.242	3.054	10	0		AGAERN
CCC[C@@H](C)Oc1cccc(Cl)n1	230441634	344636766	/nfs/dbraw/zinc/63/67/66/344636766.db2.gz	QXUVBNRVILUFFP-MRVPVSSYSA-N	0	0	199.681	3.302	10	0		AGAERN
CC(C)=CCC/C(C)=C(/C)CO	230519765	344636967	/nfs/dbraw/zinc/63/69/67/344636967.db2.gz	QVCKBQDDEUWNIT-KHPPLWFESA-N	0	0	168.280	3.062	10	0		AGAERN
Fc1cc(Cl)cc2ncccc12	230589302	344637658	/nfs/dbraw/zinc/63/76/58/344637658.db2.gz	KXIBSUCJTVPEML-UHFFFAOYSA-N	0	0	181.597	3.027	10	0		AGAERN
C/C=C/COc1cc(F)ccc1C	230693942	344639456	/nfs/dbraw/zinc/63/94/56/344639456.db2.gz	KFNJQPBIBKSKQB-ONEGZZNKSA-N	0	0	180.222	3.089	10	0		AGAERN
CC[C@H](C)Oc1cc(F)ccc1C	230692372	344639579	/nfs/dbraw/zinc/63/95/79/344639579.db2.gz	WRWGKIACPDCGBH-VIFPVBQESA-N	0	0	182.238	3.311	10	0		AGAERN
CC[C@@H](C)Oc1cc(F)ccc1C	230692369	344639635	/nfs/dbraw/zinc/63/96/35/344639635.db2.gz	WRWGKIACPDCGBH-SECBINFHSA-N	0	0	182.238	3.311	10	0		AGAERN
CC(=O)[C@H]1CCC[C@@H](CC(C)C)C1	230793749	344643056	/nfs/dbraw/zinc/64/30/56/344643056.db2.gz	KRTWADSDWAITQO-RYUDHWBXSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)[C@@H]1CCC[C@H](CC(C)C)C1	230793751	344643242	/nfs/dbraw/zinc/64/32/42/344643242.db2.gz	KRTWADSDWAITQO-VXGBXAGGSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)[C@@H]1CCC[C@@H](CC(C)C)C1	230793746	344643264	/nfs/dbraw/zinc/64/32/64/344643264.db2.gz	KRTWADSDWAITQO-NWDGAFQWSA-N	0	0	182.307	3.428	10	0		AGAERN
C=Cc1ccc(C(C)=O)c(Cl)c1	230790541	344643345	/nfs/dbraw/zinc/64/33/45/344643345.db2.gz	YRAYAPZTDZHFKI-UHFFFAOYSA-N	0	0	180.634	3.186	10	0		AGAERN
CC(=O)[C@H]1CCC[C@H](CC(C)C)C1	230793753	344643360	/nfs/dbraw/zinc/64/33/60/344643360.db2.gz	KRTWADSDWAITQO-NEPJUHHUSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(C)(CC)Nc1cccc(N)c1	230954199	344646132	/nfs/dbraw/zinc/64/61/32/344646132.db2.gz	GMCKXOVMQNQDPQ-UHFFFAOYSA-N	0	0	192.306	3.259	10	0		AGAERN
CCC(C)(CC)Nc1cccc(C)n1	230962497	344646200	/nfs/dbraw/zinc/64/62/00/344646200.db2.gz	ZGFLHWCTMDSFGR-UHFFFAOYSA-N	0	0	192.306	3.381	10	0		AGAERN
CCC(C)(CC)Nc1ncccc1C	230962121	344646230	/nfs/dbraw/zinc/64/62/30/344646230.db2.gz	AHULNHCUKHIXSR-UHFFFAOYSA-N	0	0	192.306	3.381	10	0		AGAERN
CCC(C)(CC)Nc1ccccc1N	230954010	344646312	/nfs/dbraw/zinc/64/63/12/344646312.db2.gz	CJNMYBMPFLKQNZ-UHFFFAOYSA-N	0	0	192.306	3.259	10	0		AGAERN
CCC(C)(CC)Nc1ccc(C)cn1	230961912	344646335	/nfs/dbraw/zinc/64/63/35/344646335.db2.gz	JJUMMNSQMJBFCZ-UHFFFAOYSA-N	0	0	192.306	3.381	10	0		AGAERN
CCC(C)(CC)Nc1ncccc1F	230962327	344646389	/nfs/dbraw/zinc/64/63/89/344646389.db2.gz	DHOCLRHRKUFDRD-UHFFFAOYSA-N	0	0	196.269	3.211	10	0		AGAERN
CCC[C@@]1(O)CCC[C@H](C(C)C)C1	231010335	344647210	/nfs/dbraw/zinc/64/72/10/344647210.db2.gz	MRZYTQUGZAKGAY-NWDGAFQWSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(=O)[C@@H]1CCC[C@H](C(C)C)C1	231019644	344647617	/nfs/dbraw/zinc/64/76/17/344647617.db2.gz	UEKPNYZIXFJPDC-WDEREUQCSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(=O)[C@@H]1CCC[C@@H](C(C)C)C1	231019639	344647622	/nfs/dbraw/zinc/64/76/22/344647622.db2.gz	UEKPNYZIXFJPDC-GHMZBOCLSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)[C@H](O)[C@H]1CCC[C@@H](C(C)C)C1	231019951	344647649	/nfs/dbraw/zinc/64/76/49/344647649.db2.gz	RWCGYUCKPJIVBD-AGIUHOORSA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)[C@@H]1CCC[C@H]([C@H](O)C(C)C)C1	231019949	344647695	/nfs/dbraw/zinc/64/76/95/344647695.db2.gz	RWCGYUCKPJIVBD-FRRDWIJNSA-N	0	0	198.350	3.466	10	0		AGAERN
CCC(=O)[C@H]1CCC[C@H](C(C)C)C1	231019647	344647732	/nfs/dbraw/zinc/64/77/32/344647732.db2.gz	UEKPNYZIXFJPDC-QWRGUYRKSA-N	0	0	182.307	3.428	10	0		AGAERN
CCSCCC=C(C)C	231205420	344649875	/nfs/dbraw/zinc/64/98/75/344649875.db2.gz	ABXWKFQDWFJUJF-UHFFFAOYSA-N	0	0	144.283	3.096	10	0		AGAERN
FC(F)Oc1ccc2occc2c1	231286563	344649972	/nfs/dbraw/zinc/64/99/72/344649972.db2.gz	YCMJLUUYXJCWCM-UHFFFAOYSA-N	0	0	184.141	3.034	10	0		AGAERN
CCS[C@H]1CCc2ccccc21	231377634	344652308	/nfs/dbraw/zinc/65/23/08/344652308.db2.gz	QNKZTYPSWIRXRD-NSHDSACASA-N	0	0	178.300	3.427	10	0		AGAERN
CCS[C@@H]1CCc2ccccc21	231377603	344652319	/nfs/dbraw/zinc/65/23/19/344652319.db2.gz	QNKZTYPSWIRXRD-LLVKDONJSA-N	0	0	178.300	3.427	10	0		AGAERN
S=c1sccn1-c1ccccc1	231431984	344653504	/nfs/dbraw/zinc/65/35/04/344653504.db2.gz	SRMMSILOGUCWCR-UHFFFAOYSA-N	0	0	193.296	3.268	10	0		AGAERN
CCc1ccc(/C=C(/C)[C@H](C)O)cc1	231748848	344658983	/nfs/dbraw/zinc/65/89/83/344658983.db2.gz	LFWUQFAXNXVDQV-JUDLJHIGSA-N	0	0	190.286	3.033	10	0		AGAERN
CCc1ccc(/C=C(/C)[C@@H](C)O)cc1	231748843	344659001	/nfs/dbraw/zinc/65/90/01/344659001.db2.gz	LFWUQFAXNXVDQV-DWOQACPDSA-N	0	0	190.286	3.033	10	0		AGAERN
Cc1ccc(NC2CC(C)C2)c(F)c1	231789986	344661092	/nfs/dbraw/zinc/66/10/92/344661092.db2.gz	CKYDNIWYRDESOY-UHFFFAOYSA-N	0	0	193.265	3.345	10	0		AGAERN
Fc1ccc(Cl)c(NC2CC2)c1	231813744	344661468	/nfs/dbraw/zinc/66/14/68/344661468.db2.gz	VHXULRWBGVEDPE-UHFFFAOYSA-N	0	0	185.629	3.053	10	0		AGAERN
Fc1ccc(Cl)c(NC2CCC2)c1	231813998	344661511	/nfs/dbraw/zinc/66/15/11/344661511.db2.gz	YAGMFMPPHLWCMZ-UHFFFAOYSA-N	0	0	199.656	3.444	10	0		AGAERN
Cc1ccc(C2(O)CCC2)cc1Cl	231981671	344668650	/nfs/dbraw/zinc/66/86/50/344668650.db2.gz	WDKQYGCOYCYUKJ-UHFFFAOYSA-N	0	0	196.677	3.020	10	0		AGAERN
C/C(=C/Cl)CNc1ccc(F)cc1	231997522	344669116	/nfs/dbraw/zinc/66/91/16/344669116.db2.gz	GIKKQDVDKAAWNO-VURMDHGXSA-N	0	0	199.656	3.380	10	0		AGAERN
C/C(=C/Cl)CNc1cccc(F)c1	231997495	344669131	/nfs/dbraw/zinc/66/91/31/344669131.db2.gz	VCSDSADFIFRUJS-VURMDHGXSA-N	0	0	199.656	3.380	10	0		AGAERN
C/C(=C/Cl)CNc1ccccc1	231997038	344669266	/nfs/dbraw/zinc/66/92/66/344669266.db2.gz	LJXJBNIGSULINF-CLFYSBASSA-N	0	0	181.666	3.241	10	0		AGAERN
Cc1cc(N)cc(-c2ccsc2)c1	232055003	344670555	/nfs/dbraw/zinc/67/05/55/344670555.db2.gz	CRMLOEUREFVJFZ-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
Nc1c(F)cccc1-c1ccsc1	232138120	344672570	/nfs/dbraw/zinc/67/25/70/344672570.db2.gz	DTPGGQYYACKYEX-UHFFFAOYSA-N	0	0	193.246	3.136	10	0		AGAERN
Nc1c(F)cccc1-c1cccs1	232137989	344672573	/nfs/dbraw/zinc/67/25/73/344672573.db2.gz	OHFAULNZQLXLEW-UHFFFAOYSA-N	0	0	193.246	3.136	10	0		AGAERN
Nc1ccc(-c2ccoc2)cc1Cl	232153785	344672665	/nfs/dbraw/zinc/67/26/65/344672665.db2.gz	AUHMLHUTXFCEEU-UHFFFAOYSA-N	0	0	193.633	3.182	10	0		AGAERN
Nc1ccc(-c2ccoc2)c(Cl)c1	232181840	344673031	/nfs/dbraw/zinc/67/30/31/344673031.db2.gz	RZYOWOLINBNPRA-UHFFFAOYSA-N	0	0	193.633	3.182	10	0		AGAERN
CC(C)c1cc(F)cc(Cl)c1N	232181823	344673071	/nfs/dbraw/zinc/67/30/71/344673071.db2.gz	DSXDHTHPVUFXBQ-UHFFFAOYSA-N	0	0	187.645	3.185	10	0		AGAERN
Nc1cc(F)ccc1-c1ccsc1	232215795	344673483	/nfs/dbraw/zinc/67/34/83/344673483.db2.gz	MMOBKCCQCGUDPC-UHFFFAOYSA-N	0	0	193.246	3.136	10	0		AGAERN
CC[C@H](C)c1ccc2c(c1)NCCO2	232354857	344675751	/nfs/dbraw/zinc/67/57/51/344675751.db2.gz	OAKTWVSQIJSAHN-VIFPVBQESA-N	0	0	191.274	3.004	10	0		AGAERN
CCc1cc(OC)c2occ(C)c2c1	232362444	344675769	/nfs/dbraw/zinc/67/57/69/344675769.db2.gz	FHPBBVMGRAZXCP-UHFFFAOYSA-N	0	0	190.242	3.312	10	0		AGAERN
CC[C@@H](C)c1ccc2c(c1)NCCO2	232354855	344675960	/nfs/dbraw/zinc/67/59/60/344675960.db2.gz	OAKTWVSQIJSAHN-SECBINFHSA-N	0	0	191.274	3.004	10	0		AGAERN
Cc1cc(O)cc(OC2CCCC2)c1	232398522	344676271	/nfs/dbraw/zinc/67/62/71/344676271.db2.gz	AMHUBPBJHIXQCI-UHFFFAOYSA-N	0	0	192.258	3.022	10	0		AGAERN
CC[C@@H](C)Nc1ccc(O)c(Cl)c1	232393173	344676400	/nfs/dbraw/zinc/67/64/00/344676400.db2.gz	KUASDZMJZVQUPK-SSDOTTSWSA-N	0	0	199.681	3.256	10	0		AGAERN
Oc1ccc(NC2CCC2)cc1Cl	232392140	344676420	/nfs/dbraw/zinc/67/64/20/344676420.db2.gz	CKDUWOIRVFPZRM-UHFFFAOYSA-N	0	0	197.665	3.010	10	0		AGAERN
CC(C)CNc1ccc(O)c(Cl)c1	232391620	344676466	/nfs/dbraw/zinc/67/64/66/344676466.db2.gz	WLBPTWALCDESMZ-UHFFFAOYSA-N	0	0	199.681	3.114	10	0		AGAERN
CC[C@H](C)Nc1ccc(O)c(Cl)c1	232393174	344676483	/nfs/dbraw/zinc/67/64/83/344676483.db2.gz	KUASDZMJZVQUPK-ZETCQYMHSA-N	0	0	199.681	3.256	10	0		AGAERN
C/C=C/CNc1cccc(Cl)c1F	232470979	344679341	/nfs/dbraw/zinc/67/93/41/344679341.db2.gz	VEMIRWIRAMWHHR-NSCUHMNNSA-N	0	0	199.656	3.467	10	0		AGAERN
C/C=C/CNc1ccc(C)cc1F	232470546	344679344	/nfs/dbraw/zinc/67/93/44/344679344.db2.gz	ZLNSXVHXBYNWAB-ONEGZZNKSA-N	0	0	179.238	3.122	10	0		AGAERN
C/C=C/CNc1cc(C)ccc1F	232470048	344679366	/nfs/dbraw/zinc/67/93/66/344679366.db2.gz	ZKPMADLELLFDFP-ONEGZZNKSA-N	0	0	179.238	3.122	10	0		AGAERN
C/C=C/CNc1cc(F)cc(Cl)c1	232470221	344679400	/nfs/dbraw/zinc/67/94/00/344679400.db2.gz	QJFOCNYWTRZGBZ-NSCUHMNNSA-N	0	0	199.656	3.467	10	0		AGAERN
C/C=C/CNc1ccc(F)c(C)c1	232470695	344679409	/nfs/dbraw/zinc/67/94/09/344679409.db2.gz	QMNHNRJROBVODY-ONEGZZNKSA-N	0	0	179.238	3.122	10	0		AGAERN
C/C=C/CNc1cccc(F)c1C	232470993	344679415	/nfs/dbraw/zinc/67/94/15/344679415.db2.gz	PQJHEEQNHDWDGW-ONEGZZNKSA-N	0	0	179.238	3.122	10	0		AGAERN
C/C=C/CNc1cc(F)c(C)cc1F	232470181	344679416	/nfs/dbraw/zinc/67/94/16/344679416.db2.gz	NJWAFVGYBLRBQT-ONEGZZNKSA-N	0	0	197.228	3.261	10	0		AGAERN
c1ccc2c(c1)NCC[C@@H]2CC1CC1	232469686	344679418	/nfs/dbraw/zinc/67/94/18/344679418.db2.gz	IOISTOGRDBTKAX-LLVKDONJSA-N	0	0	187.286	3.386	10	0		AGAERN
C/C=C/CNc1cc(Cl)ccc1F	232470152	344679433	/nfs/dbraw/zinc/67/94/33/344679433.db2.gz	PEQAFCIGQUDSMM-NSCUHMNNSA-N	0	0	199.656	3.467	10	0		AGAERN
C/C=C/CNc1c(F)cccc1Cl	232469779	344679435	/nfs/dbraw/zinc/67/94/35/344679435.db2.gz	GNMGFBPEZWPWOB-NSCUHMNNSA-N	0	0	199.656	3.467	10	0		AGAERN
C/C=C/CNc1cc(F)ccc1Cl	232470259	344679467	/nfs/dbraw/zinc/67/94/67/344679467.db2.gz	XUJUXULSGYYPMO-NSCUHMNNSA-N	0	0	199.656	3.467	10	0		AGAERN
C/C=C/CNc1cc(C)cc(F)c1	232470017	344679471	/nfs/dbraw/zinc/67/94/71/344679471.db2.gz	JAPOZBGEIOLVKB-ONEGZZNKSA-N	0	0	179.238	3.122	10	0		AGAERN
C/C=C/CNc1c(F)ccc(C)c1F	232469752	344679499	/nfs/dbraw/zinc/67/94/99/344679499.db2.gz	IZJORAWGDMUUBQ-ONEGZZNKSA-N	0	0	197.228	3.261	10	0		AGAERN
c1cc2c(cc1C1CCC1)NCCC2	232479000	344680027	/nfs/dbraw/zinc/68/00/27/344680027.db2.gz	MAXVLSQVCWAGRN-UHFFFAOYSA-N	0	0	187.286	3.312	10	0		AGAERN
CC(C)(C)[C@@](C)(O)C1=CCCCC1	232501007	344680391	/nfs/dbraw/zinc/68/03/91/344680391.db2.gz	RFOXKHJBVXTDBB-LBPRGKRZSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)(C)[C@@H]1CNc2ccc(F)cc21	232512659	344680469	/nfs/dbraw/zinc/68/04/69/344680469.db2.gz	KVQYAJDPWMLMAV-SNVBAGLBSA-N	0	0	193.265	3.381	10	0		AGAERN
CC(C)(C)[C@](C)(O)C1=CCCCC1	232510747	344680573	/nfs/dbraw/zinc/68/05/73/344680573.db2.gz	RFOXKHJBVXTDBB-GFCCVEGCSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)(C)[C@H]1CNc2ccc(F)cc21	232520837	344680758	/nfs/dbraw/zinc/68/07/58/344680758.db2.gz	KVQYAJDPWMLMAV-JTQLQIEISA-N	0	0	193.265	3.381	10	0		AGAERN
CC(C)C(=O)[C@H]1CC(C)(C)C[C@@H]1C	232556596	344682451	/nfs/dbraw/zinc/68/24/51/344682451.db2.gz	QLAXVDRKHIDQLZ-UWVGGRQHSA-N	0	0	182.307	3.284	10	0		AGAERN
C1=C[C@H](Nc2ccsc2)CCC1	232562464	344683019	/nfs/dbraw/zinc/68/30/19/344683019.db2.gz	MSHAEOIEKKXZCA-VIFPVBQESA-N	0	0	179.288	3.269	10	0		AGAERN
C1=C[C@@H](Nc2ccsc2)CCC1	232561524	344683086	/nfs/dbraw/zinc/68/30/86/344683086.db2.gz	MSHAEOIEKKXZCA-SECBINFHSA-N	0	0	179.288	3.269	10	0		AGAERN
CC(C)(C)C(=O)c1ccoc1Cl	232565032	344683245	/nfs/dbraw/zinc/68/32/45/344683245.db2.gz	HPULTNYHMUKMHI-UHFFFAOYSA-N	0	0	186.638	3.162	10	0		AGAERN
c1ccc2c(C3CCC3)c[nH]c2c1	232573479	344683929	/nfs/dbraw/zinc/68/39/29/344683929.db2.gz	WLIZNZUBNBCADB-UHFFFAOYSA-N	0	0	171.243	3.435	10	0		AGAERN
c1ccc2c(c1)NCC[C@H]2CC1CC1	232579192	344684491	/nfs/dbraw/zinc/68/44/91/344684491.db2.gz	IOISTOGRDBTKAX-NSHDSACASA-N	0	0	187.286	3.386	10	0		AGAERN
CCCC(=O)Oc1cc(C)ccc1C	232586394	344684828	/nfs/dbraw/zinc/68/48/28/344684828.db2.gz	CXRHAYZJMHECRH-UHFFFAOYSA-N	0	0	192.258	3.009	10	0		AGAERN
Cc1cnc(Cl)c(NCC(C)C)c1	232600565	344685186	/nfs/dbraw/zinc/68/51/86/344685186.db2.gz	UZOXJNZGRXSEPK-UHFFFAOYSA-N	0	0	198.697	3.111	10	0		AGAERN
CC(C)C[C@@]1(O)CC(C)(C)C[C@H]1C	232634117	344686570	/nfs/dbraw/zinc/68/65/70/344686570.db2.gz	ZTZHLIDABFSLMU-ZYHUDNBSSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@]1(O)CC(C)(C)C[C@H]1C	232637578	344686589	/nfs/dbraw/zinc/68/65/89/344686589.db2.gz	ZTZHLIDABFSLMU-PWSUYJOCSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@]1(O)CC(C)(C)C[C@@H]1C	232637534	344686785	/nfs/dbraw/zinc/68/67/85/344686785.db2.gz	ZTZHLIDABFSLMU-JQWIXIFHSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)=CCNc1ccsc1	232644541	344687027	/nfs/dbraw/zinc/68/70/27/344687027.db2.gz	GGZCAOQXJQWNMW-UHFFFAOYSA-N	0	0	167.277	3.126	10	0		AGAERN
Cc1cc(F)c(NC(C)C)cc1F	232669830	344687417	/nfs/dbraw/zinc/68/74/17/344687417.db2.gz	AFAAHRXXECPTEZ-UHFFFAOYSA-N	0	0	185.217	3.094	10	0		AGAERN
CC(C)Sc1cc(F)cc(C=O)c1	232675267	344687425	/nfs/dbraw/zinc/68/74/25/344687425.db2.gz	LQMBVKDTYFXECL-UHFFFAOYSA-N	0	0	198.262	3.139	10	0		AGAERN
Cc1cc(SC(C)C)c(N)cc1F	232674971	344687429	/nfs/dbraw/zinc/68/74/29/344687429.db2.gz	RFRMXQFWAOMESX-UHFFFAOYSA-N	0	0	199.294	3.217	10	0		AGAERN
CC(C)[C@@H]1CNc2c(F)cc(F)cc21	232702492	344688136	/nfs/dbraw/zinc/68/81/36/344688136.db2.gz	BLIARXDGZOJNGQ-VIFPVBQESA-N	0	0	197.228	3.130	10	0		AGAERN
Cc1cc(C)c([C@H](O)C(C)C)c(F)c1	232725488	344688486	/nfs/dbraw/zinc/68/84/86/344688486.db2.gz	PJSQEMZCAUDQJA-GFCCVEGCSA-N	0	0	196.265	3.132	10	0		AGAERN
CC(C)c1cc(Cl)c(F)cc1O	232726628	344688495	/nfs/dbraw/zinc/68/84/95/344688495.db2.gz	SWCRBZVNKNPRHC-UHFFFAOYSA-N	0	0	188.629	3.308	10	0		AGAERN
CC(=O)c1ccc(F)cc1C(C)C	232726968	344688682	/nfs/dbraw/zinc/68/86/82/344688682.db2.gz	UPPIEQKYXFFKAR-UHFFFAOYSA-N	0	0	180.222	3.152	10	0		AGAERN
CC(C)[C@H]1CNc2c(F)cc(F)cc21	232720769	344688736	/nfs/dbraw/zinc/68/87/36/344688736.db2.gz	BLIARXDGZOJNGQ-SECBINFHSA-N	0	0	197.228	3.130	10	0		AGAERN
CC(C)c1nc[nH]c(=S)c1C(C)C	232751580	344689172	/nfs/dbraw/zinc/68/91/72/344689172.db2.gz	RIAWRZJAKJWRKU-UHFFFAOYSA-N	0	0	196.319	3.012	10	0		AGAERN
Cc1cc(C)c([C@@H](O)C(C)C)c(F)c1	232763391	344689660	/nfs/dbraw/zinc/68/96/60/344689660.db2.gz	PJSQEMZCAUDQJA-LBPRGKRZSA-N	0	0	196.265	3.132	10	0		AGAERN
CC(C)[C@H](C)Sc1cccc(F)n1	232767233	344689708	/nfs/dbraw/zinc/68/97/08/344689708.db2.gz	PITFSUMHSIKJFJ-QMMMGPOBSA-N	0	0	199.294	3.357	10	0		AGAERN
CC1(C)C[C@@H]1C(=O)C1CCCCC1	232792303	344690738	/nfs/dbraw/zinc/69/07/38/344690738.db2.gz	MZWJSDMNSPQPFX-SNVBAGLBSA-N	0	0	180.291	3.182	10	0		AGAERN
CC1(C)C[C@@H]1C(=O)CC1CCCC1	232792785	344690862	/nfs/dbraw/zinc/69/08/62/344690862.db2.gz	YZTMFOJTQZCCNA-SNVBAGLBSA-N	0	0	180.291	3.182	10	0		AGAERN
CC1(C)C[C@H]1[C@H](O)CC1CCCCC1	232804205	344691898	/nfs/dbraw/zinc/69/18/98/344691898.db2.gz	UNXKPOZRUQINSI-NWDGAFQWSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1(C(=O)CC2CC2)CCCCC1	232810204	344692212	/nfs/dbraw/zinc/69/22/12/344692212.db2.gz	FQXYBCJVYHWEIU-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
CC1(C(=O)C2CCC2)CCCCC1	232809941	344692373	/nfs/dbraw/zinc/69/23/73/344692373.db2.gz	GEWIGINIMJBPQJ-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
CC1(C)C[C@@H]1[C@@H](O)CC1CCCCC1	232819931	344692718	/nfs/dbraw/zinc/69/27/18/344692718.db2.gz	UNXKPOZRUQINSI-NEPJUHHUSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1(C)CC[C@](O)(CCC2CC2)C1	232820447	344692740	/nfs/dbraw/zinc/69/27/40/344692740.db2.gz	WESPXZUEFVAPLC-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(C)[C@@H](C)Sc1ccc(N)cc1	232825646	344693166	/nfs/dbraw/zinc/69/31/66/344693166.db2.gz	FQVCPXGURBJMGI-SECBINFHSA-N	0	0	195.331	3.405	10	0		AGAERN
CC(C)[C@@H](C)Sc1cccc(F)n1	232829947	344693662	/nfs/dbraw/zinc/69/36/62/344693662.db2.gz	PITFSUMHSIKJFJ-MRVPVSSYSA-N	0	0	199.294	3.357	10	0		AGAERN
CC1CCC(O)(CCC2CC2)CC1	232827924	344693752	/nfs/dbraw/zinc/69/37/52/344693752.db2.gz	NQJBCBFMXDWGHX-UHFFFAOYSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(C)[C@@H](C)Sc1ccnc(F)c1	232831553	344694006	/nfs/dbraw/zinc/69/40/06/344694006.db2.gz	VFCFEVJLDWWDOI-MRVPVSSYSA-N	0	0	199.294	3.357	10	0		AGAERN
CCC(=O)[C@@H]1CC(C)(C)C[C@H]1C	232840137	344694441	/nfs/dbraw/zinc/69/44/41/344694441.db2.gz	QKQVLHHMZBOSSN-RKDXNWHRSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(=O)[C@@H]1CC(C)(C)C[C@@H]1C	232840091	344694453	/nfs/dbraw/zinc/69/44/53/344694453.db2.gz	QKQVLHHMZBOSSN-DTWKUNHWSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(=O)[C@H]1CC(C)(C)C[C@@H]1C	232854631	344694759	/nfs/dbraw/zinc/69/47/59/344694759.db2.gz	QKQVLHHMZBOSSN-IUCAKERBSA-N	0	0	168.280	3.038	10	0		AGAERN
CC1CC(Nc2cccc(F)c2F)C1	232854758	344694823	/nfs/dbraw/zinc/69/48/23/344694823.db2.gz	QUXPWCYOEASJQS-UHFFFAOYSA-N	0	0	197.228	3.175	10	0		AGAERN
CCC(=O)c1c(C)cc(C)cc1F	232855561	344694846	/nfs/dbraw/zinc/69/48/46/344694846.db2.gz	RZIPRYQAKJEALB-UHFFFAOYSA-N	0	0	180.222	3.035	10	0		AGAERN
CC1(C)C[C@@H]1[C@H](O)CC1CCCCC1	232850647	344694980	/nfs/dbraw/zinc/69/49/80/344694980.db2.gz	UNXKPOZRUQINSI-VXGBXAGGSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC(=O)c1c(C)cc(F)cc1C	232855622	344695038	/nfs/dbraw/zinc/69/50/38/344695038.db2.gz	XBQXKVUAPNEKLD-UHFFFAOYSA-N	0	0	180.222	3.035	10	0		AGAERN
CCC(=O)c1scc(C)c1Cl	232850731	344695063	/nfs/dbraw/zinc/69/50/63/344695063.db2.gz	FKCBJZZYAQPWSN-UHFFFAOYSA-N	0	0	188.679	3.303	10	0		AGAERN
CCC(=O)[C@H]1CC(C)(C)C[C@H]1C	232854670	344695079	/nfs/dbraw/zinc/69/50/79/344695079.db2.gz	QKQVLHHMZBOSSN-BDAKNGLRSA-N	0	0	168.280	3.038	10	0		AGAERN
CC1CC(O)(C2C[C@H](C)C[C@@H](C)C2)C1	232862670	344695350	/nfs/dbraw/zinc/69/53/50/344695350.db2.gz	CVEVLRHXOMQELG-IXYVEGFRSA-N	0	0	196.334	3.220	10	0		AGAERN
CC1CC(O)(C2C[C@@H](C)C[C@H](C)C2)C1	232862630	344695404	/nfs/dbraw/zinc/69/54/04/344695404.db2.gz	CVEVLRHXOMQELG-QKIYJJFGSA-N	0	0	196.334	3.220	10	0		AGAERN
CC1([C@H](O)CC2CC2)CCCCC1	232874859	344696253	/nfs/dbraw/zinc/69/62/53/344696253.db2.gz	XQYFPJFVXBWZKL-LLVKDONJSA-N	0	0	182.307	3.118	10	0		AGAERN
CC1(C)C[C@H]1C(=O)CC1CCCC1	232898865	344696652	/nfs/dbraw/zinc/69/66/52/344696652.db2.gz	YZTMFOJTQZCCNA-JTQLQIEISA-N	0	0	180.291	3.182	10	0		AGAERN
CCCC(=O)[C@@H]1CC(C)(C)C[C@H]1C	232908628	344696869	/nfs/dbraw/zinc/69/68/69/344696869.db2.gz	LSJGOCBBYGPRLV-NXEZZACHSA-N	0	0	182.307	3.428	10	0		AGAERN
CCCC(=O)c1c(C)cccc1C	232913289	344697088	/nfs/dbraw/zinc/69/70/88/344697088.db2.gz	YLZOQJNDZRKYTB-UHFFFAOYSA-N	0	0	176.259	3.286	10	0		AGAERN
CCCC(=O)[C@H]1CC(C)(C)C[C@@H]1C	232911754	344697091	/nfs/dbraw/zinc/69/70/91/344697091.db2.gz	LSJGOCBBYGPRLV-UWVGGRQHSA-N	0	0	182.307	3.428	10	0		AGAERN
CCCC(=O)[C@H]1CC(C)(C)C[C@H]1C	232911796	344697093	/nfs/dbraw/zinc/69/70/93/344697093.db2.gz	LSJGOCBBYGPRLV-ZJUUUORDSA-N	0	0	182.307	3.428	10	0		AGAERN
CCCC(=O)[C@@H]1CC(C)(C)C[C@@H]1C	232908589	344697110	/nfs/dbraw/zinc/69/71/10/344697110.db2.gz	LSJGOCBBYGPRLV-VHSXEESVSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(=O)c1cccc(-c2ccc[nH]2)c1	232949955	344697650	/nfs/dbraw/zinc/69/76/50/344697650.db2.gz	LRCYWRSAMJFSAY-UHFFFAOYSA-N	0	0	199.253	3.274	10	0		AGAERN
CCCCc1ccc2c(c1)NCCC2	233016370	344698619	/nfs/dbraw/zinc/69/86/19/344698619.db2.gz	FOPYZUFONSIYMY-UHFFFAOYSA-N	0	0	189.302	3.387	10	0		AGAERN
CCCCc1cc(=S)cc[nH]1	233008329	344698626	/nfs/dbraw/zinc/69/86/26/344698626.db2.gz	KYTMMONXBGNHIO-UHFFFAOYSA-N	0	0	167.277	3.087	10	0		AGAERN
CC1(C)C[C@H]1[C@@H](O)CC1CCCCC1	233001234	344698880	/nfs/dbraw/zinc/69/88/80/344698880.db2.gz	UNXKPOZRUQINSI-RYUDHWBXSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC(C)(C)CNc1ncccc1C	233045080	344699304	/nfs/dbraw/zinc/69/93/04/344699304.db2.gz	LYEJZBHKEOTWOI-UHFFFAOYSA-N	0	0	192.306	3.238	10	0		AGAERN
CCC1(Cn2cccc2)CCC1	233036662	344699332	/nfs/dbraw/zinc/69/93/32/344699332.db2.gz	MNXDVBUCMPRKMY-UHFFFAOYSA-N	0	0	163.264	3.068	10	0		AGAERN
CCC1(Cn2cccc2)CCCC1	233036694	344699449	/nfs/dbraw/zinc/69/94/49/344699449.db2.gz	MNWNLXKPLFZBMZ-UHFFFAOYSA-N	0	0	177.291	3.459	10	0		AGAERN
CCC[C@@H](C)Nc1ccc(F)c(N)c1	233280282	344699673	/nfs/dbraw/zinc/69/96/73/344699673.db2.gz	BDTVKYSHRWWJJK-MRVPVSSYSA-N	0	0	196.269	3.008	10	0		AGAERN
CCCNc1cc(F)c(C)cc1F	233195431	344699814	/nfs/dbraw/zinc/69/98/14/344699814.db2.gz	CFEOACIHXGBVDA-UHFFFAOYSA-N	0	0	185.217	3.095	10	0		AGAERN
CCC[C@@H](C)[C@]1(O)CCC(C)(C)C1	233284544	344700278	/nfs/dbraw/zinc/70/02/78/344700278.db2.gz	DKBLQSGYAJLSRX-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@@]1(C)CNc2ccc(C)cc21	233318615	344700656	/nfs/dbraw/zinc/70/06/56/344700656.db2.gz	FIESSAKPNOPUEW-ZDUSSCGKSA-N	0	0	189.302	3.478	10	0		AGAERN
CCC[C@H](C)[C@]1(O)CCC(C)(C)C1	233340622	344700799	/nfs/dbraw/zinc/70/07/99/344700799.db2.gz	DKBLQSGYAJLSRX-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC[C@H](C)Nc1ccc(F)c(N)c1	233340078	344700829	/nfs/dbraw/zinc/70/08/29/344700829.db2.gz	BDTVKYSHRWWJJK-QMMMGPOBSA-N	0	0	196.269	3.008	10	0		AGAERN
CCC[C@](C)(O)C1=CCCCCC1	233361873	344701287	/nfs/dbraw/zinc/70/12/87/344701287.db2.gz	UAPAKZXJEVNKNB-LBPRGKRZSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC[C@H](O)[C@H]1CC(C)=C[C@@H](C)C1	233382806	344701662	/nfs/dbraw/zinc/70/16/62/344701662.db2.gz	RNGUSTFWJQILBZ-JLLWLGSASA-N	0	0	182.307	3.140	10	0		AGAERN
CCC[C@]1(C)CNc2c(C)cccc21	233373881	344701698	/nfs/dbraw/zinc/70/16/98/344701698.db2.gz	NYQZPOHNCPESAZ-CYBMUJFWSA-N	0	0	189.302	3.478	10	0		AGAERN
CCC[C@H](O)[C@@H]1CC(C)=C[C@@H](C)C1	233391904	344701701	/nfs/dbraw/zinc/70/17/01/344701701.db2.gz	RNGUSTFWJQILBZ-USWWRNFRSA-N	0	0	182.307	3.140	10	0		AGAERN
CCOC(=N)c1ccc(Cl)cc1C	233642964	344703593	/nfs/dbraw/zinc/70/35/93/344703593.db2.gz	GYAJUODUTYBZFL-UHFFFAOYSA-N	0	0	197.665	3.010	10	0		AGAERN
CC[C@@H](C)CNc1cccc(C)c1N	233836582	344704703	/nfs/dbraw/zinc/70/47/03/344704703.db2.gz	OJHWIZLJTZLZBI-SECBINFHSA-N	0	0	192.306	3.035	10	0		AGAERN
CCSc1ccccc1NC1CC1	233819965	344704775	/nfs/dbraw/zinc/70/47/75/344704775.db2.gz	MBALBHKMVCUJBL-UHFFFAOYSA-N	0	0	193.315	3.373	10	0		AGAERN
CC[C@@H](C)Nc1cc(C)cnc1Cl	233860855	344705305	/nfs/dbraw/zinc/70/53/05/344705305.db2.gz	RWBZXMKGVABHRY-MRVPVSSYSA-N	0	0	198.697	3.254	10	0		AGAERN
CC[C@@H](C)[C@@H]1CNc2ccc(F)cc21	233848638	344705367	/nfs/dbraw/zinc/70/53/67/344705367.db2.gz	GQALLEHVPRJIDM-KCJUWKMLSA-N	0	0	193.265	3.381	10	0		AGAERN
CC[C@@H](C)[C@H]1CNc2ccccc21	233873230	344705409	/nfs/dbraw/zinc/70/54/09/344705409.db2.gz	AFPDZEXLSURQEB-MWLCHTKSSA-N	0	0	175.275	3.242	10	0		AGAERN
CC[C@@H](C)Nc1cnc(Cl)c(C)c1	233864176	344705412	/nfs/dbraw/zinc/70/54/12/344705412.db2.gz	VUTMGEUNFRGLRY-MRVPVSSYSA-N	0	0	198.697	3.254	10	0		AGAERN
CC[C@@H](C)[C@H]1CNc2ccc(F)cc21	233873208	344705441	/nfs/dbraw/zinc/70/54/41/344705441.db2.gz	GQALLEHVPRJIDM-LDYMZIIASA-N	0	0	193.265	3.381	10	0		AGAERN
CC[C@@H](C)[C@@H]1CNc2ccccc21	233848702	344705468	/nfs/dbraw/zinc/70/54/68/344705468.db2.gz	AFPDZEXLSURQEB-KOLCDFICSA-N	0	0	175.275	3.242	10	0		AGAERN
CC[C@@H](C)Nc1ccc(Cl)nc1C	233862305	344705481	/nfs/dbraw/zinc/70/54/81/344705481.db2.gz	OTJWLWPXZWWVSK-SSDOTTSWSA-N	0	0	198.697	3.254	10	0		AGAERN
CC[C@@H](O)C1=CCCCCCC1	233895709	344705805	/nfs/dbraw/zinc/70/58/05/344705805.db2.gz	LJOWWDYBTWTYFL-LLVKDONJSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@H](C)CNc1cccc(C)c1N	233975702	344708981	/nfs/dbraw/zinc/70/89/81/344708981.db2.gz	OJHWIZLJTZLZBI-VIFPVBQESA-N	0	0	192.306	3.035	10	0		AGAERN
CC[C@](O)(C1=CCCCC1)C1CC1	233974214	344709044	/nfs/dbraw/zinc/70/90/44/344709044.db2.gz	MNAMRRPRVPGNFP-LBPRGKRZSA-N	0	0	180.291	3.038	10	0		AGAERN
CC[C@@](C)(O)C1=CCCCCC1	233961843	344709050	/nfs/dbraw/zinc/70/90/50/344709050.db2.gz	HLJKMUZTPBCTIL-LLVKDONJSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@](O)(C1=CCCCC1)C(C)C	233972179	344709137	/nfs/dbraw/zinc/70/91/37/344709137.db2.gz	JLGXEJNOFPNEKX-GFCCVEGCSA-N	0	0	182.307	3.284	10	0		AGAERN
CC[C@H](C)Nc1cc(C)cnc1Cl	233993901	344709749	/nfs/dbraw/zinc/70/97/49/344709749.db2.gz	RWBZXMKGVABHRY-QMMMGPOBSA-N	0	0	198.697	3.254	10	0		AGAERN
CC[C@H](C)Nc1cnc(Cl)c(C)c1	233998141	344709796	/nfs/dbraw/zinc/70/97/96/344709796.db2.gz	VUTMGEUNFRGLRY-QMMMGPOBSA-N	0	0	198.697	3.254	10	0		AGAERN
CC[C@H](C)Nc1ccc(Cl)nc1C	233996137	344709878	/nfs/dbraw/zinc/70/98/78/344709878.db2.gz	OTJWLWPXZWWVSK-ZETCQYMHSA-N	0	0	198.697	3.254	10	0		AGAERN
CC[C@H](C)[C@@H]1CNc2ccccc21	234016105	344710236	/nfs/dbraw/zinc/71/02/36/344710236.db2.gz	AFPDZEXLSURQEB-ONGXEEELSA-N	0	0	175.275	3.242	10	0		AGAERN
CC[C@H](C)[C@@H]1CNc2ccc(F)cc21	234016060	344710345	/nfs/dbraw/zinc/71/03/45/344710345.db2.gz	GQALLEHVPRJIDM-KWQFWETISA-N	0	0	193.265	3.381	10	0		AGAERN
CC[C@@](O)(C1=CCCCC1)C(C)C	234087408	344712004	/nfs/dbraw/zinc/71/20/04/344712004.db2.gz	JLGXEJNOFPNEKX-LBPRGKRZSA-N	0	0	182.307	3.284	10	0		AGAERN
CC[C@@](O)(C1=CCCCC1)C1CC1	234089698	344712024	/nfs/dbraw/zinc/71/20/24/344712024.db2.gz	MNAMRRPRVPGNFP-GFCCVEGCSA-N	0	0	180.291	3.038	10	0		AGAERN
CC[C@](C)(O)C1=CCCCCCC1	234085235	344712060	/nfs/dbraw/zinc/71/20/60/344712060.db2.gz	GVXNFFAVAMXVJD-LBPRGKRZSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@](C)(O)C1=CCCCCC1	234085208	344712192	/nfs/dbraw/zinc/71/21/92/344712192.db2.gz	HLJKMUZTPBCTIL-NSHDSACASA-N	0	0	168.280	3.038	10	0		AGAERN
CCc1occc1C(=O)C(C)(C)C	234164067	344714295	/nfs/dbraw/zinc/71/42/95/344714295.db2.gz	PPFWLAACPYXZMK-UHFFFAOYSA-N	0	0	180.247	3.071	10	0		AGAERN
CCc1ccc2cc(Cl)ncc2c1	234163056	344714338	/nfs/dbraw/zinc/71/43/38/344714338.db2.gz	IUUSMEJDXZBUQV-UHFFFAOYSA-N	0	0	191.661	3.451	10	0		AGAERN
CCc1cnc([C@H]2CC2(C)C)s1	234183667	344714344	/nfs/dbraw/zinc/71/43/44/344714344.db2.gz	MUOGOCVDBSMIEY-MRVPVSSYSA-N	0	0	181.304	3.219	10	0		AGAERN
CCc1cnc([C@@H]2CC2(C)C)s1	234170885	344714439	/nfs/dbraw/zinc/71/44/39/344714439.db2.gz	MUOGOCVDBSMIEY-QMMMGPOBSA-N	0	0	181.304	3.219	10	0		AGAERN
CCc1csc([C@@H]2CC2(C)C)n1	234198419	344714860	/nfs/dbraw/zinc/71/48/60/344714860.db2.gz	RQIMZQWZIHHLOI-QMMMGPOBSA-N	0	0	181.304	3.219	10	0		AGAERN
CCc1csc([C@H]2CC2(C)C)n1	234198656	344715054	/nfs/dbraw/zinc/71/50/54/344715054.db2.gz	RQIMZQWZIHHLOI-MRVPVSSYSA-N	0	0	181.304	3.219	10	0		AGAERN
C[C@@H](C(=O)c1ccc[nH]1)c1ccccc1	235144610	344734482	/nfs/dbraw/zinc/73/44/82/344734482.db2.gz	FWZNFNCPNJWYEC-SNVBAGLBSA-N	0	0	199.253	3.001	10	0		AGAERN
Cc1cc(Cl)ccc1/C=C/[C@@H](C)O	235231817	344736532	/nfs/dbraw/zinc/73/65/32/344736532.db2.gz	YZHJGAIKLPGZJC-CDAZIORVSA-N	0	0	196.677	3.042	10	0		AGAERN
C[C@@H]1CCCC[C@@]1(O)C1=CCCCC1	235265362	344738998	/nfs/dbraw/zinc/73/89/98/344738998.db2.gz	WGOBWPOMVNORGC-YPMHNXCESA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@@H]1CCCC[C@]1(O)C1=CCCCC1	235265179	344739147	/nfs/dbraw/zinc/73/91/47/344739147.db2.gz	WGOBWPOMVNORGC-DGCLKSJQSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@@H]1C[C@]12CNc1ccc(Cl)cc12	235281450	344740257	/nfs/dbraw/zinc/74/02/57/344740257.db2.gz	DLYPDBPXHBQSBK-HQJQHLMTSA-N	0	0	193.677	3.043	10	0		AGAERN
C[C@@H]1C[C@]12CNc1c(Cl)cccc12	235281061	344740497	/nfs/dbraw/zinc/74/04/97/344740497.db2.gz	UVGJBSOADQFDRL-HQJQHLMTSA-N	0	0	193.677	3.043	10	0		AGAERN
C[C@@H]1C[C@@]12CNc1ccc(Cl)cc12	235297478	344741729	/nfs/dbraw/zinc/74/17/29/344741729.db2.gz	DLYPDBPXHBQSBK-RDDDGLTNSA-N	0	0	193.677	3.043	10	0		AGAERN
C[C@@H]1C[C@@]12CNc1c(Cl)cccc12	235297162	344741850	/nfs/dbraw/zinc/74/18/50/344741850.db2.gz	UVGJBSOADQFDRL-RDDDGLTNSA-N	0	0	193.677	3.043	10	0		AGAERN
C[C@@H]1SCC[C@@H]1Nc1ccsc1	235325444	344743216	/nfs/dbraw/zinc/74/32/16/344743216.db2.gz	BGXXIAKTJFGNAT-CBAPKCEASA-N	0	0	199.344	3.054	10	0		AGAERN
Cc1cc2c(cc1F)NC[C@@H](C)S2	235329578	344743751	/nfs/dbraw/zinc/74/37/51/344743751.db2.gz	QVAHMGGBNMRHAX-SSDOTTSWSA-N	0	0	197.278	3.040	10	0		AGAERN
Cc1cccc2c1NC[C@@H](C)CS2	235327940	344743983	/nfs/dbraw/zinc/74/39/83/344743983.db2.gz	QZFTZYDQVDUZGY-MRVPVSSYSA-N	0	0	193.315	3.149	10	0		AGAERN
Cc1cccc2c1NCC[C@@H](C)S2	235332909	344744025	/nfs/dbraw/zinc/74/40/25/344744025.db2.gz	LOGRYIQJTLEANW-SECBINFHSA-N	0	0	193.315	3.291	10	0		AGAERN
C[C@@H]1CC(C)(C)c2scc(N)c21	235357487	344745605	/nfs/dbraw/zinc/74/56/05/344745605.db2.gz	OUNPEKPLPYCBGX-ZCFIWIBFSA-N	0	0	181.304	3.115	10	0		AGAERN
C[C@@H]1CCC(=O)[C@@H](C/C=C/Cl)C1	235376563	344746812	/nfs/dbraw/zinc/74/68/12/344746812.db2.gz	SOYAHWPIWBUCJZ-OLYQCDQKSA-N	0	0	186.682	3.134	10	0		AGAERN
C[C@@H]1CCC(=O)[C@H](C/C=C/Cl)C1	235376759	344746843	/nfs/dbraw/zinc/74/68/43/344746843.db2.gz	SOYAHWPIWBUCJZ-DNBSWFBXSA-N	0	0	186.682	3.134	10	0		AGAERN
C[C@H](C(=O)c1ccc[nH]1)c1ccccc1	235418876	344748831	/nfs/dbraw/zinc/74/88/31/344748831.db2.gz	FWZNFNCPNJWYEC-JTQLQIEISA-N	0	0	199.253	3.001	10	0		AGAERN
C[C@@](O)(CC1CC1)C1=CCCCCC1	235420048	344748907	/nfs/dbraw/zinc/74/89/07/344748907.db2.gz	CEMZBMHCHPSAOK-CYBMUJFWSA-N	0	0	194.318	3.428	10	0		AGAERN
Cc1cc(Cl)ccc1/C=C/[C@H](C)O	235536358	344753185	/nfs/dbraw/zinc/75/31/85/344753185.db2.gz	YZHJGAIKLPGZJC-NWALNABHSA-N	0	0	196.677	3.042	10	0		AGAERN
C[C@H]1CCC(=O)[C@@H](C/C=C/Cl)C1	235546644	344753951	/nfs/dbraw/zinc/75/39/51/344753951.db2.gz	SOYAHWPIWBUCJZ-PCBOLFQESA-N	0	0	186.682	3.134	10	0		AGAERN
C[C@H]1CCC(=O)[C@H](C/C=C/Cl)C1	235546913	344754168	/nfs/dbraw/zinc/75/41/68/344754168.db2.gz	SOYAHWPIWBUCJZ-NKLAAFKVSA-N	0	0	186.682	3.134	10	0		AGAERN
C[C@H]1CCCC[C@@]1(O)C1=CCCCC1	235567926	344755767	/nfs/dbraw/zinc/75/57/67/344755767.db2.gz	WGOBWPOMVNORGC-AAEUAGOBSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@H]1CCCC[C@]1(O)C1=CCCCC1	235576433	344756356	/nfs/dbraw/zinc/75/63/56/344756356.db2.gz	WGOBWPOMVNORGC-WCQYABFASA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@H]1C[C@@]12CNc1ccc(Cl)cc12	235580972	344756970	/nfs/dbraw/zinc/75/69/70/344756970.db2.gz	DLYPDBPXHBQSBK-WRWORJQWSA-N	0	0	193.677	3.043	10	0		AGAERN
C[C@H]1C[C@@]12CNc1c(Cl)cccc12	235580831	344757045	/nfs/dbraw/zinc/75/70/45/344757045.db2.gz	UVGJBSOADQFDRL-WRWORJQWSA-N	0	0	193.677	3.043	10	0		AGAERN
C[C@H]1C[C@]12CNc1c(Cl)cccc12	235591297	344757885	/nfs/dbraw/zinc/75/78/85/344757885.db2.gz	UVGJBSOADQFDRL-CPCISQLKSA-N	0	0	193.677	3.043	10	0		AGAERN
C[C@H]1C[C@]12CNc1ccc(Cl)cc12	235591502	344757983	/nfs/dbraw/zinc/75/79/83/344757983.db2.gz	DLYPDBPXHBQSBK-CPCISQLKSA-N	0	0	193.677	3.043	10	0		AGAERN
C[C@H]1CC(C)(C)c2scc(N)c21	235629579	344760721	/nfs/dbraw/zinc/76/07/21/344760721.db2.gz	OUNPEKPLPYCBGX-LURJTMIESA-N	0	0	181.304	3.115	10	0		AGAERN
Cc1cc(Cl)cc2c1C[C@H](C)C2=O	235691667	344763231	/nfs/dbraw/zinc/76/32/31/344763231.db2.gz	QADPVTCPLNDUKZ-ZETCQYMHSA-N	0	0	194.661	3.023	10	0		AGAERN
Cc1cc2c(cc1F)NC[C@H](C)S2	235701019	344763492	/nfs/dbraw/zinc/76/34/92/344763492.db2.gz	QVAHMGGBNMRHAX-ZETCQYMHSA-N	0	0	197.278	3.040	10	0		AGAERN
Cc1cccc2c1NC[C@H](C)CS2	235699757	344763587	/nfs/dbraw/zinc/76/35/87/344763587.db2.gz	QZFTZYDQVDUZGY-QMMMGPOBSA-N	0	0	193.315	3.149	10	0		AGAERN
C[C@](O)(CC1CC1)C1=CCCCCC1	235717119	344764301	/nfs/dbraw/zinc/76/43/01/344764301.db2.gz	CEMZBMHCHPSAOK-ZDUSSCGKSA-N	0	0	194.318	3.428	10	0		AGAERN
Cc1cc(F)cc(C)c1C(=O)C1CC1	235738159	344764842	/nfs/dbraw/zinc/76/48/42/344764842.db2.gz	QMULONGQAZUQNS-UHFFFAOYSA-N	0	0	192.233	3.035	10	0		AGAERN
Cc1ccsc1-c1ccoc1C=O	235779350	344766262	/nfs/dbraw/zinc/76/62/62/344766262.db2.gz	LOTFVCJPJACYAG-UHFFFAOYSA-N	0	0	192.239	3.129	10	0		AGAERN
Cc1ccsc1-c1ccc(C=O)o1	235778531	344766314	/nfs/dbraw/zinc/76/63/14/344766314.db2.gz	QEHHJGLJAQNEPI-UHFFFAOYSA-N	0	0	192.239	3.129	10	0		AGAERN
Cc1ccsc1C1=NC(=S)OC1	235779739	344766494	/nfs/dbraw/zinc/76/64/94/344766494.db2.gz	LPJLZCGWFDQGMJ-UHFFFAOYSA-N	0	0	197.284	3.000	10	0		AGAERN
Cc1cccc(NCC(C)(C)C)c1N	235781747	344766506	/nfs/dbraw/zinc/76/65/06/344766506.db2.gz	MCVABQWBISUGOU-UHFFFAOYSA-N	0	0	192.306	3.035	10	0		AGAERN
Cc1ccccc1C(=O)[C@H]1CC1(C)C	235789010	344766619	/nfs/dbraw/zinc/76/66/19/344766619.db2.gz	PAGLBDPTKHOLRW-LLVKDONJSA-N	0	0	188.270	3.224	10	0		AGAERN
Cc1ccsc1[C@@H](O)[C@H]1CC1(C)C	235796544	344766777	/nfs/dbraw/zinc/76/67/77/344766777.db2.gz	MSKXOSKVVLYSIE-BDAKNGLRSA-N	0	0	196.315	3.136	10	0		AGAERN
Cc1ccccc1-c1ccoc1C=O	235803605	344767121	/nfs/dbraw/zinc/76/71/21/344767121.db2.gz	HOFJLGJGVDRYKJ-UHFFFAOYSA-N	0	0	186.210	3.068	10	0		AGAERN
Cc1cccc(SC(C)(C)C)c1N	235800726	344767136	/nfs/dbraw/zinc/76/71/36/344767136.db2.gz	ZABDYZBLCFIVGW-UHFFFAOYSA-N	0	0	195.331	3.468	10	0		AGAERN
Cc1sccc1C(=O)[C@H]1CC1(C)C	235809244	344767387	/nfs/dbraw/zinc/76/73/87/344767387.db2.gz	HEAARMSSLDCPIA-SECBINFHSA-N	0	0	194.299	3.285	10	0		AGAERN
Cc1sccc1C(=O)[C@@H]1CC1(C)C	235808829	344767402	/nfs/dbraw/zinc/76/74/02/344767402.db2.gz	HEAARMSSLDCPIA-VIFPVBQESA-N	0	0	194.299	3.285	10	0		AGAERN
Cc1ccsc1[C@H](O)[C@H]1CC1(C)C	235813579	344767634	/nfs/dbraw/zinc/76/76/34/344767634.db2.gz	MSKXOSKVVLYSIE-RKDXNWHRSA-N	0	0	196.315	3.136	10	0		AGAERN
Cc1cc(C(=O)[C@H]2CC2(C)C)cs1	235813943	344767709	/nfs/dbraw/zinc/76/77/09/344767709.db2.gz	HWEGIFFZSWKINL-SECBINFHSA-N	0	0	194.299	3.285	10	0		AGAERN
Cc1cc(C(=O)[C@@H]2CC2(C)C)cs1	235811441	344767738	/nfs/dbraw/zinc/76/77/38/344767738.db2.gz	HWEGIFFZSWKINL-VIFPVBQESA-N	0	0	194.299	3.285	10	0		AGAERN
Cc1cc(C)c(C(=O)C2CC2)c(F)c1	235818983	344767825	/nfs/dbraw/zinc/76/78/25/344767825.db2.gz	OJZOYJLXHSRXQE-UHFFFAOYSA-N	0	0	192.233	3.035	10	0		AGAERN
Cc1ccsc1[C@H](O)[C@@H]1CC1(C)C	235813211	344767853	/nfs/dbraw/zinc/76/78/53/344767853.db2.gz	MSKXOSKVVLYSIE-DTWKUNHWSA-N	0	0	196.315	3.136	10	0		AGAERN
Cc1sccc1-c1ccoc1C=O	235825351	344768128	/nfs/dbraw/zinc/76/81/28/344768128.db2.gz	OXYNOPNINDQMTM-UHFFFAOYSA-N	0	0	192.239	3.129	10	0		AGAERN
Cc1ccc(C(=O)[C@H]2CC2(C)C)s1	235843465	344768757	/nfs/dbraw/zinc/76/87/57/344768757.db2.gz	TXDMRJYLHQPXAQ-MRVPVSSYSA-N	0	0	194.299	3.285	10	0		AGAERN
CC1OC(=S)N=C1c1cccs1	235850880	344768880	/nfs/dbraw/zinc/76/88/80/344768880.db2.gz	MQSMTMCEBIGKPR-UHFFFAOYSA-N	0	0	197.284	3.000	10	0		AGAERN
Cc1cc(-c2ccc(C=O)o2)cs1	235859434	344769207	/nfs/dbraw/zinc/76/92/07/344769207.db2.gz	ZVPAAXBXBIKTCQ-UHFFFAOYSA-N	0	0	192.239	3.129	10	0		AGAERN
Cc1cc(Cl)ccc1[C@@H](O)C1CC1	235853694	344769297	/nfs/dbraw/zinc/76/92/97/344769297.db2.gz	OOELQRXLDDLLRY-NSHDSACASA-N	0	0	196.677	3.092	10	0		AGAERN
Cc1ccc([C@H](O)[C@H]2CC2(C)C)s1	235922457	344769598	/nfs/dbraw/zinc/76/95/98/344769598.db2.gz	RYSMZDRNYSGNOX-PSASIEDQSA-N	0	0	196.315	3.136	10	0		AGAERN
Cc1ccc(-c2ccoc2C=O)s1	235900091	344769613	/nfs/dbraw/zinc/76/96/13/344769613.db2.gz	QHDDVQQBWPEGOD-UHFFFAOYSA-N	0	0	192.239	3.129	10	0		AGAERN
Cc1ccc([C@H](O)[C@@H]2CC2(C)C)cc1	235920458	344769626	/nfs/dbraw/zinc/76/96/26/344769626.db2.gz	CSYQVAOIRUUXFZ-RYUDHWBXSA-N	0	0	190.286	3.075	10	0		AGAERN
Cc1ccc([C@@H](O)[C@H]2CC2(C)C)s1	235918019	344769628	/nfs/dbraw/zinc/76/96/28/344769628.db2.gz	RYSMZDRNYSGNOX-SCZZXKLOSA-N	0	0	196.315	3.136	10	0		AGAERN
Cc1ccc([C@@H](O)[C@H]2CC2(C)C)cc1	235917987	344769669	/nfs/dbraw/zinc/76/96/69/344769669.db2.gz	CSYQVAOIRUUXFZ-VXGBXAGGSA-N	0	0	190.286	3.075	10	0		AGAERN
Cc1ccc([C@@H](O)[C@@H]2CC2(C)C)cc1	235916222	344769679	/nfs/dbraw/zinc/76/96/79/344769679.db2.gz	CSYQVAOIRUUXFZ-NWDGAFQWSA-N	0	0	190.286	3.075	10	0		AGAERN
Cc1ccc(C2=NC(=S)OC2)s1	235903380	344769684	/nfs/dbraw/zinc/76/96/84/344769684.db2.gz	UIWKUFSTHVRTQB-UHFFFAOYSA-N	0	0	197.284	3.000	10	0		AGAERN
Cc1cnc(Cl)c(NC2CCC2)c1	235948847	344770362	/nfs/dbraw/zinc/77/03/62/344770362.db2.gz	DRGQWZGDYXKOJJ-UHFFFAOYSA-N	0	0	196.681	3.008	10	0		AGAERN
Cc1csc(NC(C)(C)C2CC2)n1	235952084	344770364	/nfs/dbraw/zinc/77/03/64/344770364.db2.gz	XJFSLTNXOAAXMD-UHFFFAOYSA-N	0	0	196.319	3.052	10	0		AGAERN
Cc1csc(NCC2(C)CCC2)n1	235952284	344770367	/nfs/dbraw/zinc/77/03/67/344770367.db2.gz	SDJRDIAKCVTXCK-UHFFFAOYSA-N	0	0	196.319	3.054	10	0		AGAERN
Cc1cc(C)c2c(c1)[C@@H](C1CC1)CN2	235983561	344771419	/nfs/dbraw/zinc/77/14/19/344771419.db2.gz	GMEOZMMUSBBHBR-GFCCVEGCSA-N	0	0	187.286	3.223	10	0		AGAERN
Cc1cc(C)c2c(c1)[C@H](C1CC1)CN2	235983417	344771510	/nfs/dbraw/zinc/77/15/10/344771510.db2.gz	GMEOZMMUSBBHBR-LBPRGKRZSA-N	0	0	187.286	3.223	10	0		AGAERN
C=Cc1csc(Cl)c1	236035912	344771865	/nfs/dbraw/zinc/77/18/65/344771865.db2.gz	NRCZDHBDCWGRSW-UHFFFAOYSA-N	0	0	144.626	3.045	10	0		AGAERN
Clc1cc([C@@H]2CO2)c(Cl)s1	236070483	344772002	/nfs/dbraw/zinc/77/20/02/344772002.db2.gz	UMYMCBILRZJAMO-BYPYZUCNSA-N	0	0	195.070	3.126	10	0		AGAERN
Clc1cccc2c1NC[C@@H]2C1CC1	236068614	344772013	/nfs/dbraw/zinc/77/20/13/344772013.db2.gz	YVPIZRJOWCWERZ-SECBINFHSA-N	0	0	193.677	3.259	10	0		AGAERN
Clc1cccc2c1NC[C@H]2C1CC1	236068891	344772035	/nfs/dbraw/zinc/77/20/35/344772035.db2.gz	YVPIZRJOWCWERZ-VIFPVBQESA-N	0	0	193.677	3.259	10	0		AGAERN
Clc1cc([C@H]2CO2)c(Cl)s1	236072501	344772167	/nfs/dbraw/zinc/77/21/67/344772167.db2.gz	UMYMCBILRZJAMO-SCSAIBSYSA-N	0	0	195.070	3.126	10	0		AGAERN
Clc1ccc2c(c1)[C@@H](C1CC1)CN2	236068988	344772217	/nfs/dbraw/zinc/77/22/17/344772217.db2.gz	QCTGDCDHLOLSNZ-SNVBAGLBSA-N	0	0	193.677	3.259	10	0		AGAERN
O=C(c1ccc(Cl)o1)C1CCCC1	236055805	344772222	/nfs/dbraw/zinc/77/22/22/344772222.db2.gz	ADMLSFIVMKOKQD-UHFFFAOYSA-N	0	0	198.649	3.306	10	0		AGAERN
Clc1ccc2c(c1)[C@H](C1CC1)CN2	236068741	344772234	/nfs/dbraw/zinc/77/22/34/344772234.db2.gz	QCTGDCDHLOLSNZ-JTQLQIEISA-N	0	0	193.677	3.259	10	0		AGAERN
Fc1cccc(Cl)c1NC1CC1	236148644	344775536	/nfs/dbraw/zinc/77/55/36/344775536.db2.gz	XLODHXLTSCEPSK-UHFFFAOYSA-N	0	0	185.629	3.053	10	0		AGAERN
Fc1c(Cl)cccc1NC1CC1	236160067	344775881	/nfs/dbraw/zinc/77/58/81/344775881.db2.gz	KXMHWCRIAYENNS-UHFFFAOYSA-N	0	0	185.629	3.053	10	0		AGAERN
Fc1cccc(N[C@H]2C=CCCC2)c1	236159232	344775908	/nfs/dbraw/zinc/77/59/08/344775908.db2.gz	CMPXCYWLWPVUQH-NSHDSACASA-N	0	0	191.249	3.346	10	0		AGAERN
Fc1cccc(N[C@@H]2C=CCCC2)c1	236160641	344775926	/nfs/dbraw/zinc/77/59/26/344775926.db2.gz	CMPXCYWLWPVUQH-LLVKDONJSA-N	0	0	191.249	3.346	10	0		AGAERN
O=C1CCc2cc(-c3ccoc3)ccc21	236414760	344785365	/nfs/dbraw/zinc/78/53/65/344785365.db2.gz	HKFAVZDFXMDBKH-UHFFFAOYSA-N	0	0	198.221	3.076	10	0		AGAERN
OC1(C2=CCCCCCC2)CCC1	236478325	344786652	/nfs/dbraw/zinc/78/66/52/344786652.db2.gz	CYAPQUSRTOQBOO-UHFFFAOYSA-N	0	0	180.291	3.182	10	0		AGAERN
O[C@H](C1=CCCCC1)[C@H]1CC=CCC1	236544097	344788246	/nfs/dbraw/zinc/78/82/46/344788246.db2.gz	PXZXXUVUHPDRSB-AAEUAGOBSA-N	0	0	192.302	3.204	10	0		AGAERN
O[C@H](C1=CCCCC1)[C@@H]1CC=CCC1	236540973	344788492	/nfs/dbraw/zinc/78/84/92/344788492.db2.gz	PXZXXUVUHPDRSB-YPMHNXCESA-N	0	0	192.302	3.204	10	0		AGAERN
O[C@@H](C1=CCCCC1)[C@@H]1CC=CCC1	236539326	344788526	/nfs/dbraw/zinc/78/85/26/344788526.db2.gz	PXZXXUVUHPDRSB-DGCLKSJQSA-N	0	0	192.302	3.204	10	0		AGAERN
O[C@@H](C1=CCCCC1)[C@H]1CC=CCC1	236544008	344788561	/nfs/dbraw/zinc/78/85/61/344788561.db2.gz	PXZXXUVUHPDRSB-WCQYABFASA-N	0	0	192.302	3.204	10	0		AGAERN
Oc1ccc(Cl)cc1-c1ccc[nH]1	236554434	344788867	/nfs/dbraw/zinc/78/88/67/344788867.db2.gz	HMQDZDWARFYSPJ-UHFFFAOYSA-N	0	0	193.633	3.041	10	0		AGAERN
S=c1[nH]c(C2CCCCC2)co1	236566083	344789225	/nfs/dbraw/zinc/78/92/25/344789225.db2.gz	NFWJDKUBPBEJQY-UHFFFAOYSA-N	0	0	183.276	3.011	10	0		AGAERN
S=c1cc[nH]c(-c2ccsc2)c1	236603305	344790229	/nfs/dbraw/zinc/79/02/29/344790229.db2.gz	RQPRWJSYQGNYON-UHFFFAOYSA-N	0	0	193.296	3.473	10	0		AGAERN
Oc1cc(-c2ccc[nH]2)ccc1Cl	236620940	344790318	/nfs/dbraw/zinc/79/03/18/344790318.db2.gz	BXAMWBREVLXIPC-UHFFFAOYSA-N	0	0	193.633	3.041	10	0		AGAERN
S=c1cc[nH]c(-c2ccco2)c1	236603136	344790404	/nfs/dbraw/zinc/79/04/04/344790404.db2.gz	JUIXWBOBKXZDEG-UHFFFAOYSA-N	0	0	177.228	3.004	10	0		AGAERN
S=c1cc[nH]c(-c2ccoc2)c1	236603262	344790450	/nfs/dbraw/zinc/79/04/50/344790450.db2.gz	ZRMFSFNLFTYTJJ-UHFFFAOYSA-N	0	0	177.228	3.004	10	0		AGAERN
Oc1ccc(-c2ccc[nH]2)cc1Cl	236602216	344790503	/nfs/dbraw/zinc/79/05/03/344790503.db2.gz	PMLAGUDFWUSSMD-UHFFFAOYSA-N	0	0	193.633	3.041	10	0		AGAERN
S=c1cc[nH]c(-c2cccs2)c1	236603171	344790635	/nfs/dbraw/zinc/79/06/35/344790635.db2.gz	OOWWVNREELYFQV-UHFFFAOYSA-N	0	0	193.296	3.473	10	0		AGAERN
S=c1cccc(-c2ccsc2)[nH]1	236707481	344790951	/nfs/dbraw/zinc/79/09/51/344790951.db2.gz	SKZVXRBHUJHJKR-UHFFFAOYSA-N	0	0	193.296	3.099	10	0		AGAERN
S=c1cccc(-c2cccs2)[nH]1	236707341	344791000	/nfs/dbraw/zinc/79/10/00/344791000.db2.gz	JOPGEOZPZCTSSC-UHFFFAOYSA-N	0	0	193.296	3.099	10	0		AGAERN
C/C=C/CCCCCC[C@H](C)O	238009858	344791416	/nfs/dbraw/zinc/79/14/16/344791416.db2.gz	DKFDHHJPJAXXEE-UFFNRZRYSA-N	0	0	170.296	3.284	10	0		AGAERN
C/C=C/CCCCCC[C@@H](C)O	238009825	344791653	/nfs/dbraw/zinc/79/16/53/344791653.db2.gz	DKFDHHJPJAXXEE-PGLGOXFNSA-N	0	0	170.296	3.284	10	0		AGAERN
C/C=C/c1cccc(/C=C/C)c1N	238067912	344792432	/nfs/dbraw/zinc/79/24/32/344792432.db2.gz	PKPOHHSWWAEVMN-XOKGJFMYSA-N	0	0	173.259	3.335	10	0		AGAERN
CC(=O)C1CCCCCCCC1	238068328	344792457	/nfs/dbraw/zinc/79/24/57/344792457.db2.gz	DDNGPDSZNUOFRW-UHFFFAOYSA-N	0	0	168.280	3.326	10	0		AGAERN
CC(=O)CCC1(C)CCCCC1	238093276	344793061	/nfs/dbraw/zinc/79/30/61/344793061.db2.gz	NOAZLOZZMPKVKL-UHFFFAOYSA-N	0	0	168.280	3.326	10	0		AGAERN
c1cc(C2CC2)c2cc[nH]c2c1	238096078	344793263	/nfs/dbraw/zinc/79/32/63/344793263.db2.gz	GBPNQKBICOHYFA-UHFFFAOYSA-N	0	0	157.216	3.045	10	0		AGAERN
CC(C)C1([C@H](O)c2ccccc2)CC1	238114857	344793456	/nfs/dbraw/zinc/79/34/56/344793456.db2.gz	QIGBJXOJMYKYIH-GFCCVEGCSA-N	0	0	190.286	3.156	10	0		AGAERN
CC(C)C1([C@@H](O)c2ccccc2)CC1	238114824	344793716	/nfs/dbraw/zinc/79/37/16/344793716.db2.gz	QIGBJXOJMYKYIH-LBPRGKRZSA-N	0	0	190.286	3.156	10	0		AGAERN
CC(C)(C)CCc1sccc1N	238150044	344794052	/nfs/dbraw/zinc/79/40/52/344794052.db2.gz	BQWHGGZUZZLUAU-UHFFFAOYSA-N	0	0	183.320	3.309	10	0		AGAERN
CC(C)c1cccc([C@@H](N)C(F)F)c1	238163998	344794327	/nfs/dbraw/zinc/79/43/27/344794327.db2.gz	RJHZIECPUAWBOW-SNVBAGLBSA-N	0	0	199.244	3.075	10	0		AGAERN
CC(C)c1cccc([C@H](N)C(F)F)c1	238164514	344794671	/nfs/dbraw/zinc/79/46/71/344794671.db2.gz	RJHZIECPUAWBOW-JTQLQIEISA-N	0	0	199.244	3.075	10	0		AGAERN
CC(C)c1cc2c(cc1O)CCCC2	238199533	344795204	/nfs/dbraw/zinc/79/52/04/344795204.db2.gz	GRFIUZQEMLATBN-UHFFFAOYSA-N	0	0	190.286	3.394	10	0		AGAERN
CCC1(C(=O)c2ccccc2)CC1	238184058	344795444	/nfs/dbraw/zinc/79/54/44/344795444.db2.gz	ADFHSEZEQYKQPF-UHFFFAOYSA-N	0	0	174.243	3.060	10	0		AGAERN
CC1(C)CCC[C@@H]2C[C@@](C)(O)CC[C@@H]21	238211575	344796188	/nfs/dbraw/zinc/79/61/88/344796188.db2.gz	ZQNQUNNLSOTEJY-MDZLAQPJSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC(CC)Cc1sccc1N	238229285	344796647	/nfs/dbraw/zinc/79/66/47/344796647.db2.gz	ZUNHHCFRYOFYBT-UHFFFAOYSA-N	0	0	183.320	3.309	10	0		AGAERN
CCCc1cc2cc(C)ccc2[nH]1	238239731	344797010	/nfs/dbraw/zinc/79/70/10/344797010.db2.gz	QQYKGOMWFTUDJL-UHFFFAOYSA-N	0	0	173.259	3.429	10	0		AGAERN
CCNc1nc(C)c(C(C)C)s1	238257046	344797354	/nfs/dbraw/zinc/79/73/54/344797354.db2.gz	GBHQFRYSCVTJTR-UHFFFAOYSA-N	0	0	184.308	3.007	10	0		AGAERN
CC[C@@H]1C[C@H](C)c2ccccc2N1	238273381	344798393	/nfs/dbraw/zinc/79/83/93/344798393.db2.gz	VNTPHCRVDJSWKG-VHSXEESVSA-N	0	0	175.275	3.384	10	0		AGAERN
CCc1ccc(NC(C)C)cc1C	238282214	344798500	/nfs/dbraw/zinc/79/85/00/344798500.db2.gz	GVYPOVLBFJKAMM-UHFFFAOYSA-N	0	0	177.291	3.378	10	0		AGAERN
CC[C@@H]1C[C@@H](C)c2ccccc2N1	238272848	344798522	/nfs/dbraw/zinc/79/85/22/344798522.db2.gz	VNTPHCRVDJSWKG-NXEZZACHSA-N	0	0	175.275	3.384	10	0		AGAERN
CCc1ccc(F)c(F)c1Cl	238276501	344798569	/nfs/dbraw/zinc/79/85/69/344798569.db2.gz	GPHLFZVFUGJIGX-UHFFFAOYSA-N	0	0	176.593	3.181	10	0		AGAERN
CC[C@H]1CCCCC[C@@H]1C(C)=O	238290507	344798864	/nfs/dbraw/zinc/79/88/64/344798864.db2.gz	VYUXQLUHZPIOSO-WDEREUQCSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@H]1CCCCC[C@H]1C(C)=O	238290533	344799005	/nfs/dbraw/zinc/79/90/05/344799005.db2.gz	VYUXQLUHZPIOSO-QWRGUYRKSA-N	0	0	168.280	3.182	10	0		AGAERN
CCc1cccc(NCC(C)(F)F)c1	238301683	344799835	/nfs/dbraw/zinc/79/98/35/344799835.db2.gz	LDTWHWINKKZXPT-UHFFFAOYSA-N	0	0	199.244	3.316	10	0		AGAERN
CC[C@@H](c1sccc1N)C(C)C	238302450	344799913	/nfs/dbraw/zinc/79/99/13/344799913.db2.gz	LULCOTCEVRJWHF-MRVPVSSYSA-N	0	0	183.320	3.480	10	0		AGAERN
CCc1ccccc1[C@@H]1CCCC1=O	238314558	344800050	/nfs/dbraw/zinc/80/00/50/344800050.db2.gz	HTUGITUIDXYPJT-LBPRGKRZSA-N	0	0	188.270	3.086	10	0		AGAERN
CC[C@H]1C[C@@H](C)c2ccccc2N1	238314349	344800176	/nfs/dbraw/zinc/80/01/76/344800176.db2.gz	VNTPHCRVDJSWKG-ZJUUUORDSA-N	0	0	175.275	3.384	10	0		AGAERN
CC[C@H]1C[C@H](C)c2ccccc2N1	238314725	344800329	/nfs/dbraw/zinc/80/03/29/344800329.db2.gz	VNTPHCRVDJSWKG-UWVGGRQHSA-N	0	0	175.275	3.384	10	0		AGAERN
CC[C@H](c1sccc1N)C(C)C	238317517	344800207	/nfs/dbraw/zinc/80/02/07/344800207.db2.gz	LULCOTCEVRJWHF-QMMMGPOBSA-N	0	0	183.320	3.480	10	0		AGAERN
CCc1cc2ccccc2c2c1OCC2	238318464	344800222	/nfs/dbraw/zinc/80/02/22/344800222.db2.gz	FXGWUKIYPBQWFQ-UHFFFAOYSA-N	0	0	198.265	3.337	10	0		AGAERN
CCc1ccccc1[C@H]1CCC(=O)C1	238315793	344800226	/nfs/dbraw/zinc/80/02/26/344800226.db2.gz	LWYUDUACXNPSME-NSHDSACASA-N	0	0	188.270	3.086	10	0		AGAERN
CCc1ccccc1[C@@H]1CCC(=O)C1	238314525	344800235	/nfs/dbraw/zinc/80/02/35/344800235.db2.gz	LWYUDUACXNPSME-LLVKDONJSA-N	0	0	188.270	3.086	10	0		AGAERN
CCc1cc(F)c(F)c(Cl)c1	238328799	344800961	/nfs/dbraw/zinc/80/09/61/344800961.db2.gz	CJMOXXVZAWNDHL-UHFFFAOYSA-N	0	0	176.593	3.181	10	0		AGAERN
COc1ccc(Cl)c(C(F)F)c1	238335424	344801579	/nfs/dbraw/zinc/80/15/79/344801579.db2.gz	BMAPIGUSUTVBGC-UHFFFAOYSA-N	0	0	192.592	3.286	10	0		AGAERN
COc1cc(Cl)ccc1C(F)F	238335754	344801881	/nfs/dbraw/zinc/80/18/81/344801881.db2.gz	RPAGHZLZQNRDNC-UHFFFAOYSA-N	0	0	192.592	3.286	10	0		AGAERN
COc1ccc(C2CC2)c(Cl)c1	238357119	344802724	/nfs/dbraw/zinc/80/27/24/344802724.db2.gz	BBSDDHTXYYXSFP-UHFFFAOYSA-N	0	0	182.650	3.226	10	0		AGAERN
COc1cccc(Cl)c1C(F)F	238373677	344803984	/nfs/dbraw/zinc/80/39/84/344803984.db2.gz	MFNWZWVLPNQZMZ-UHFFFAOYSA-N	0	0	192.592	3.286	10	0		AGAERN
Cc1cccc2c1[C@H](C)CCC2=O	238436203	344806656	/nfs/dbraw/zinc/80/66/56/344806656.db2.gz	NDBMEDPNRKVXGF-SECBINFHSA-N	0	0	174.243	3.075	10	0		AGAERN
Cc1cc(C=O)cc(Cl)c1Cl	238463168	344807957	/nfs/dbraw/zinc/80/79/57/344807957.db2.gz	RUCYWWKRFVUOQA-UHFFFAOYSA-N	0	0	189.041	3.114	10	0		AGAERN
Cc1sc(=S)[nH]c1C(C)(C)C	238467892	344808057	/nfs/dbraw/zinc/80/80/57/344808057.db2.gz	YLGJDSBVCUVIDF-UHFFFAOYSA-N	0	0	187.333	3.412	10	0		AGAERN
Cc1c(Cl)ccc2ccoc12	238467900	344808083	/nfs/dbraw/zinc/80/80/83/344808083.db2.gz	IIWRSMMEXFITLT-UHFFFAOYSA-N	0	0	166.607	3.395	10	0		AGAERN
Cc1ccc(C2=CCCC2)c(N)c1	238476853	344808321	/nfs/dbraw/zinc/80/83/21/344808321.db2.gz	BQXSLSPIEYZVCX-UHFFFAOYSA-N	0	0	173.259	3.145	10	0		AGAERN
Cc1cccc2c1[C@@H](C)CCC2=O	238477798	344808552	/nfs/dbraw/zinc/80/85/52/344808552.db2.gz	NDBMEDPNRKVXGF-VIFPVBQESA-N	0	0	174.243	3.075	10	0		AGAERN
Cc1[nH]c2cccc(Cl)c2c1C	238484912	344809091	/nfs/dbraw/zinc/80/90/91/344809091.db2.gz	XYZJEGBDTNCSPW-UHFFFAOYSA-N	0	0	179.650	3.438	10	0		AGAERN
Cc1cc(Cl)c(C=O)cc1Cl	238496536	344809264	/nfs/dbraw/zinc/80/92/64/344809264.db2.gz	GXOKKWBMVZYDOS-UHFFFAOYSA-N	0	0	189.041	3.114	10	0		AGAERN
Clc1ncccc1C1CCCC1	238523367	344810769	/nfs/dbraw/zinc/81/07/69/344810769.db2.gz	HTZIZWXEFKURKK-UHFFFAOYSA-N	0	0	181.666	3.393	10	0		AGAERN
Cc1ccc2cc[nH]c2c1Cl	238527007	344810850	/nfs/dbraw/zinc/81/08/50/344810850.db2.gz	BDJVJGJTXZDJQR-UHFFFAOYSA-N	0	0	165.623	3.130	10	0		AGAERN
Cc1ccc(Nc2cccc(C)n2)cc1	238525117	344810853	/nfs/dbraw/zinc/81/08/53/344810853.db2.gz	NJZBCNWQHGNTLP-UHFFFAOYSA-N	0	0	198.269	3.442	10	0		AGAERN
Clc1ncccc1C1CCC1	238523350	344810881	/nfs/dbraw/zinc/81/08/81/344810881.db2.gz	LXUKXDRDYRKDRI-UHFFFAOYSA-N	0	0	167.639	3.003	10	0		AGAERN
FC(F)Oc1coc2ccccc12	238532208	344811059	/nfs/dbraw/zinc/81/10/59/344811059.db2.gz	LKXUNJFPDQJHLL-UHFFFAOYSA-N	0	0	184.141	3.034	10	0		AGAERN
Cc1cccc(NCC(C)(F)F)c1	238534042	344811512	/nfs/dbraw/zinc/81/15/12/344811512.db2.gz	LRAURYDMEHKZGG-UHFFFAOYSA-N	0	0	185.217	3.062	10	0		AGAERN
O=Cc1ccc2ccc(Cl)cc2c1	238536523	344811559	/nfs/dbraw/zinc/81/15/59/344811559.db2.gz	FVSNVUINGWGCCE-UHFFFAOYSA-N	0	0	190.629	3.306	10	0		AGAERN
Cc1cc(C(F)F)c2ncccc2c1	238541295	344811947	/nfs/dbraw/zinc/81/19/47/344811947.db2.gz	MTAMKYJXHJGKQS-UHFFFAOYSA-N	0	0	193.196	3.481	10	0		AGAERN
Fc1cc2sncc2cc1Cl	238547602	344812632	/nfs/dbraw/zinc/81/26/32/344812632.db2.gz	NPRKJFZSINQMHV-UHFFFAOYSA-N	0	0	187.626	3.089	10	0		AGAERN
FC(F)c1coc2ccccc12	238560796	344812786	/nfs/dbraw/zinc/81/27/86/344812786.db2.gz	CKBRQLOCWWITCU-UHFFFAOYSA-N	0	0	168.142	3.370	10	0		AGAERN
Cc1cc(N)c(NC(C)(C)C)cc1C	238560452	344812853	/nfs/dbraw/zinc/81/28/53/344812853.db2.gz	IHOGBIATOGPQOX-UHFFFAOYSA-N	0	0	192.306	3.096	10	0		AGAERN
Clc1cnc(Cl)c(C2CC2)c1	238555608	344812896	/nfs/dbraw/zinc/81/28/96/344812896.db2.gz	WGQTYSILYXLDKI-UHFFFAOYSA-N	0	0	188.057	3.266	10	0		AGAERN
Fc1ccc2c(c1)Cc1ccccc1N2	238567099	344813291	/nfs/dbraw/zinc/81/32/91/344813291.db2.gz	VYKPBOHCOSBOJP-UHFFFAOYSA-N	0	0	199.228	3.474	10	0		AGAERN
Clc1ncc(C2CCC2)s1	238569277	344813387	/nfs/dbraw/zinc/81/33/87/344813387.db2.gz	PNUUQHCGYBEYST-UHFFFAOYSA-N	0	0	173.668	3.064	10	0		AGAERN
Nc1ccc(C(F)F)c2ccccc12	238582267	344814271	/nfs/dbraw/zinc/81/42/71/344814271.db2.gz	LUFNMIGVTDUBMI-UHFFFAOYSA-N	0	0	193.196	3.360	10	0		AGAERN
Nc1cc(C(F)F)c2ccccc2c1	238589565	344814640	/nfs/dbraw/zinc/81/46/40/344814640.db2.gz	IQFZMOXXQJPQMO-UHFFFAOYSA-N	0	0	193.196	3.360	10	0		AGAERN
Fc1ccc([C@@H]2CCCS2)cc1	238591381	344814696	/nfs/dbraw/zinc/81/46/96/344814696.db2.gz	GUZJAHBKSTWQAG-JTQLQIEISA-N	0	0	182.263	3.394	10	0		AGAERN
Nc1ccc2cccc(C(F)F)c2c1	238620683	344815931	/nfs/dbraw/zinc/81/59/31/344815931.db2.gz	QWJAVOZDCQBOKL-UHFFFAOYSA-N	0	0	193.196	3.360	10	0		AGAERN
Nc1ccc2c(C(F)F)cccc2c1	238617259	344816083	/nfs/dbraw/zinc/81/60/83/344816083.db2.gz	KSDDUWRJGNZEAK-UHFFFAOYSA-N	0	0	193.196	3.360	10	0		AGAERN
Nc1ccc2cc(C(F)F)ccc2c1	238619239	344816091	/nfs/dbraw/zinc/81/60/91/344816091.db2.gz	XJKYDYCSMCGLMN-UHFFFAOYSA-N	0	0	193.196	3.360	10	0		AGAERN
Nc1ccc2ccc(C(F)F)cc2c1	238620104	344816161	/nfs/dbraw/zinc/81/61/61/344816161.db2.gz	WQKMXLMIIXYNIT-UHFFFAOYSA-N	0	0	193.196	3.360	10	0		AGAERN
Nc1cc2ccccc2cc1C(F)F	238629370	344816259	/nfs/dbraw/zinc/81/62/59/344816259.db2.gz	BNSYJTWLZJCIQS-UHFFFAOYSA-N	0	0	193.196	3.360	10	0		AGAERN
Nc1cccc2c(C(F)F)cccc12	238633531	344816402	/nfs/dbraw/zinc/81/64/02/344816402.db2.gz	AIOHINJVDDYQIJ-UHFFFAOYSA-N	0	0	193.196	3.360	10	0		AGAERN
Nc1cccc2cccc(C(F)F)c12	238635682	344816670	/nfs/dbraw/zinc/81/66/70/344816670.db2.gz	AVYWILPWROJHLE-UHFFFAOYSA-N	0	0	193.196	3.360	10	0		AGAERN
Nc1cc(C(F)F)cc2ccccc12	238635246	344816792	/nfs/dbraw/zinc/81/67/92/344816792.db2.gz	GZRIMRPIXVAZTE-UHFFFAOYSA-N	0	0	193.196	3.360	10	0		AGAERN
Nc1c(C(F)F)ccc2ccccc12	238647363	344817126	/nfs/dbraw/zinc/81/71/26/344817126.db2.gz	YFOMSLUTENSIOO-UHFFFAOYSA-N	0	0	193.196	3.360	10	0		AGAERN
C=C=CCCCCCCCCO	238655404	344817564	/nfs/dbraw/zinc/81/75/64/344817564.db2.gz	JYDLGBCDWXRFLI-UHFFFAOYSA-N	0	0	168.280	3.051	10	0		AGAERN
Oc1ccc2cc(C(F)F)ccc2c1	238668662	344817744	/nfs/dbraw/zinc/81/77/44/344817744.db2.gz	GBSLVWWLCKERID-UHFFFAOYSA-N	0	0	194.180	3.483	10	0		AGAERN
Oc1ccc2c(C(F)F)cccc2c1	238666501	344817863	/nfs/dbraw/zinc/81/78/63/344817863.db2.gz	NMBFRNWPPZWVGC-UHFFFAOYSA-N	0	0	194.180	3.483	10	0		AGAERN
Oc1ccc2cccc(C(F)F)c2c1	238670840	344818198	/nfs/dbraw/zinc/81/81/98/344818198.db2.gz	HTGOSGMVLZYAFX-UHFFFAOYSA-N	0	0	194.180	3.483	10	0		AGAERN
Oc1ccc2ccc(C(F)F)cc2c1	238670061	344818228	/nfs/dbraw/zinc/81/82/28/344818228.db2.gz	HRQXGWOJWZYFRF-UHFFFAOYSA-N	0	0	194.180	3.483	10	0		AGAERN
FC(F)c1cccc2ncccc12	238703294	344820592	/nfs/dbraw/zinc/82/05/92/344820592.db2.gz	KALRYBBNKSRVMN-UHFFFAOYSA-N	0	0	179.169	3.172	10	0		AGAERN
Oc1ccc(C(F)F)c2ccccc12	238713753	344821117	/nfs/dbraw/zinc/82/11/17/344821117.db2.gz	BJNULWXQBXDFDA-UHFFFAOYSA-N	0	0	194.180	3.483	10	0		AGAERN
Oc1cc(C(F)F)c2ccccc2c1	238717209	344821148	/nfs/dbraw/zinc/82/11/48/344821148.db2.gz	QZJUFSZUQMYRKX-UHFFFAOYSA-N	0	0	194.180	3.483	10	0		AGAERN
Oc1c(C(F)F)ccc2ccccc12	238714417	344821237	/nfs/dbraw/zinc/82/12/37/344821237.db2.gz	RMXONWFBZONEDO-UHFFFAOYSA-N	0	0	194.180	3.483	10	0		AGAERN
Oc1cccc2cccc(C(F)F)c12	238726538	344822033	/nfs/dbraw/zinc/82/20/33/344822033.db2.gz	JFXGQPUJKXPUDE-UHFFFAOYSA-N	0	0	194.180	3.483	10	0		AGAERN
Oc1cccc2ccc(C(F)F)cc12	238726484	344822103	/nfs/dbraw/zinc/82/21/03/344822103.db2.gz	WCRWKAFBJNCOKB-UHFFFAOYSA-N	0	0	194.180	3.483	10	0		AGAERN
Oc1cc2ccccc2cc1C(F)F	238724937	344822195	/nfs/dbraw/zinc/82/21/95/344822195.db2.gz	OVMCNVXZBOBYKB-UHFFFAOYSA-N	0	0	194.180	3.483	10	0		AGAERN
Oc1cccc2cc(C(F)F)ccc12	238726395	344822207	/nfs/dbraw/zinc/82/22/07/344822207.db2.gz	KXOBJDGYTMPNEV-UHFFFAOYSA-N	0	0	194.180	3.483	10	0		AGAERN
Oc1cccc2c(C(F)F)cccc12	238726106	344822209	/nfs/dbraw/zinc/82/22/09/344822209.db2.gz	JIXOQNDVTIKSRN-UHFFFAOYSA-N	0	0	194.180	3.483	10	0		AGAERN
CCCCCC[C@@H]1O[C@@H](C)[C@@H](C)O1	242554685	344825058	/nfs/dbraw/zinc/82/50/58/344825058.db2.gz	MTNLKAOONWIMIT-URLYPYJESA-N	0	0	186.295	3.107	10	0	endogenous,in-man	AGAERN
CC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	250522857	344835721	/nfs/dbraw/zinc/83/57/21/344835721.db2.gz	MTQKTLLGMHGZKL-UTUOFQBUSA-N	0	0	180.291	3.182	10	0		AGAERN
CC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	250522856	344835862	/nfs/dbraw/zinc/83/58/62/344835862.db2.gz	MTQKTLLGMHGZKL-TUAOUCFPSA-N	0	0	180.291	3.182	10	0		AGAERN
OC1([C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1	250800472	344841433	/nfs/dbraw/zinc/84/14/33/344841433.db2.gz	BIBJEPRMVVERJQ-GRYCIOLGSA-N	0	0	194.318	3.118	10	0		AGAERN
Cc1nccn1[C@@H]1C[C@@H](C)C[C@@H](C)C1	250843995	344842527	/nfs/dbraw/zinc/84/25/27/344842527.db2.gz	ZUYJJLOTVATBEZ-IAZYJMLFSA-N	0	0	192.306	3.189	10	0		AGAERN
Cc1ccn([C@@H]2C[C@@H](C)C[C@@H](C)C2)n1	250974259	344843616	/nfs/dbraw/zinc/84/36/16/344843616.db2.gz	AEWIYBZXZCGFIO-IAZYJMLFSA-N	0	0	192.306	3.189	10	0		AGAERN
CCC[C@@H]1C[C@@H](C(C)C)CC[C@H]1O	251109196	344847442	/nfs/dbraw/zinc/84/74/42/344847442.db2.gz	FZRVSYYGUBVPOW-QJPTWQEYSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC[C@@H]1C[C@H](C(C)C)CC[C@H]1O	251109193	344847651	/nfs/dbraw/zinc/84/76/51/344847651.db2.gz	FZRVSYYGUBVPOW-IJLUTSLNSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	251230058	344850227	/nfs/dbraw/zinc/85/02/27/344850227.db2.gz	PWVPDRJOQNCHFD-MYJAWHEDSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@H](O)[C@@H]1CCC(C)(C)C[C@H]1C	251319577	344851754	/nfs/dbraw/zinc/85/17/54/344851754.db2.gz	GLHOZXHHXZVQKX-MXWKQRLJSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@]1(C)[C@H](O)C[C@H]1c1cccs1	251310370	344851796	/nfs/dbraw/zinc/85/17/96/344851796.db2.gz	VCUZNXRTZJGGMY-GDPRMGEGSA-N	0	0	196.315	3.013	10	0		AGAERN
CCCC(=O)[C@@H]1C[C@H](C)CC[C@H]1C	251305240	344851827	/nfs/dbraw/zinc/85/18/27/344851827.db2.gz	JOUWESZJWXJYTA-GMTAPVOTSA-N	0	0	182.307	3.428	10	0		AGAERN
CCCC(=O)[C@@H]1C[C@@H](C)CC[C@H]1C	251305245	344851916	/nfs/dbraw/zinc/85/19/16/344851916.db2.gz	JOUWESZJWXJYTA-HBNTYKKESA-N	0	0	182.307	3.428	10	0		AGAERN
CCCC[C@]1(O)C[C@@H](C)C[C@@H](C)C1	251306442	344851953	/nfs/dbraw/zinc/85/19/53/344851953.db2.gz	IICDTEZFYJRQAL-ZSBIGDGJSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](O)[C@H]1CCC(C)(C)C[C@H]1C	251319579	344851990	/nfs/dbraw/zinc/85/19/90/344851990.db2.gz	GLHOZXHHXZVQKX-VWYCJHECSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC[C@@H]1CCC[C@@]2(CC1)C[C@H]2CO	251370853	344852653	/nfs/dbraw/zinc/85/26/53/344852653.db2.gz	QLRLGBZZUQXBBE-FRRDWIJNSA-N	0	0	196.334	3.365	10	0		AGAERN
CCC[C@@H]1CCC[C@]2(CC1)C[C@H]2CO	251370849	344852704	/nfs/dbraw/zinc/85/27/04/344852704.db2.gz	QLRLGBZZUQXBBE-AGIUHOORSA-N	0	0	196.334	3.365	10	0		AGAERN
CCC[C@H](O)[C@@H]1C[C@H](C)CC[C@H]1C	251347260	344852782	/nfs/dbraw/zinc/85/27/82/344852782.db2.gz	PXDXJXXERVZFCN-KKOKHZNYSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC[C@H](O)[C@@H]1C[C@@H](C)CC[C@H]1C	251347262	344852829	/nfs/dbraw/zinc/85/28/29/344852829.db2.gz	PXDXJXXERVZFCN-QCNOEVLYSA-N	0	0	184.323	3.220	10	0		AGAERN
CCCC(=O)[C@@H]1[C@@H](C)CCC[C@H]1C	251383347	344853339	/nfs/dbraw/zinc/85/33/39/344853339.db2.gz	WMIWGQNLISAQOH-IAZYJMLFSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)[C@@H]1C[C@@H]1[C@H]1CCC[C@H](C)C1	251538660	344856425	/nfs/dbraw/zinc/85/64/25/344856425.db2.gz	ANUAIWOQICBDLB-PDEGPIFNSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(=O)[C@@H]1C[C@@H]1[C@H]1CCC[C@@H](C)C1	251538657	344856484	/nfs/dbraw/zinc/85/64/84/344856484.db2.gz	ANUAIWOQICBDLB-NUGNTBJXSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(=O)[C@@H]1C[C@@H]1[C@@H]1CCC[C@H](C)C1	251538668	344856689	/nfs/dbraw/zinc/85/66/89/344856689.db2.gz	ANUAIWOQICBDLB-ZDDJMSTPSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(C)C[C@]1(O)CC[C@@H](C)[C@H](C)C1	251557254	344857692	/nfs/dbraw/zinc/85/76/92/344857692.db2.gz	BFKOHZPZGZNSFC-IJLUTSLNSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@]1(O)CC[C@H](C)[C@H](C)C1	251557265	344857745	/nfs/dbraw/zinc/85/77/45/344857745.db2.gz	BFKOHZPZGZNSFC-QJPTWQEYSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@@H]1CCC[C@@H]([C@H]2CCCC2=O)C1	251606045	344860628	/nfs/dbraw/zinc/86/06/28/344860628.db2.gz	CVTRMXMPFRVDCM-GMTAPVOTSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1CCC[C@H]([C@H]2CCCC2=O)C1	251606048	344860813	/nfs/dbraw/zinc/86/08/13/344860813.db2.gz	CVTRMXMPFRVDCM-OUAUKWLOSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1CC[C@H]([C@@](C)(O)C2CC2)C[C@H]1C	251650949	344863573	/nfs/dbraw/zinc/86/35/73/344863573.db2.gz	FONSQUCKDOEZKL-AAXDQBDMSA-N	0	0	196.334	3.220	10	0		AGAERN
C[C@@H]1CC[C@H]([C@](C)(O)C2CC2)C[C@H]1C	251650954	344863676	/nfs/dbraw/zinc/86/36/76/344863676.db2.gz	FONSQUCKDOEZKL-VCDKRKBESA-N	0	0	196.334	3.220	10	0		AGAERN
C[C@@H]1CC[C@H]([C@H]2CCC(=O)C2)C[C@H]1C	251676658	344865117	/nfs/dbraw/zinc/86/51/17/344865117.db2.gz	GRARZLYGSYPPBH-WYUUTHIRSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@H]1C[C@@H]([C@H]2CCC(=O)C2)CC[C@H]1C	251676655	344865184	/nfs/dbraw/zinc/86/51/84/344865184.db2.gz	GRARZLYGSYPPBH-RHYQMDGZSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@@H]1CC[C@H]([C@@H]2CCC(=O)C2)C[C@H]1C	251676656	344865212	/nfs/dbraw/zinc/86/52/12/344865212.db2.gz	GRARZLYGSYPPBH-WISYIIOYSA-N	0	0	194.318	3.428	10	0		AGAERN
CC[C@@H]1C(=O)[C@@H]2CCCCCC[C@H]12	251682084	344865983	/nfs/dbraw/zinc/86/59/83/344865983.db2.gz	PJGZNFQIPSBEDD-HBNTYKKESA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O	251728882	344869443	/nfs/dbraw/zinc/86/94/43/344869443.db2.gz	KHXTTYXNQIGOMX-MROQNXINSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1[C@H]1CCC[C@H]1O	251728890	344869483	/nfs/dbraw/zinc/86/94/83/344869483.db2.gz	KHXTTYXNQIGOMX-YVECIDJPSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@@H]1CCC[C@H]([C@H]2CCC(=O)[C@@H]2C)C1	251737968	344869959	/nfs/dbraw/zinc/86/99/59/344869959.db2.gz	JEOIPTWZRHUWEB-WYUUTHIRSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@@H]1C(=O)CC[C@H]1[C@H]1CCC[C@@H](C)C1	251737962	344870013	/nfs/dbraw/zinc/87/00/13/344870013.db2.gz	JEOIPTWZRHUWEB-NOOOWODRSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@@H]1C(=O)CC[C@@H]1[C@H]1CCC[C@@H](C)C1	251737965	344870112	/nfs/dbraw/zinc/87/01/12/344870112.db2.gz	JEOIPTWZRHUWEB-RHYQMDGZSA-N	0	0	194.318	3.428	10	0		AGAERN
CC[C@H](C)[C@H](O)[C@@H]1CC[C@H](C)[C@@H](C)C1	251764010	344871271	/nfs/dbraw/zinc/87/12/71/344871271.db2.gz	HULYWNDVLZJCFO-NWBUJAPZSA-N	0	0	198.350	3.466	10	0		AGAERN
CC[C@H](C)[C@H](O)[C@@H]1CC[C@@H](C)[C@H](C)C1	251764006	344871461	/nfs/dbraw/zinc/87/14/61/344871461.db2.gz	HULYWNDVLZJCFO-CLPYTZEMSA-N	0	0	198.350	3.466	10	0		AGAERN
C[C@H]1[C@H](C)CCC[C@@]1(O)C1CCCC1	251792834	344873181	/nfs/dbraw/zinc/87/31/81/344873181.db2.gz	LQVXJOAQWGJKSW-MDZLAQPJSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@H]1[C@H](C)CCC[C@]1(O)C1CCCC1	251792836	344873374	/nfs/dbraw/zinc/87/33/74/344873374.db2.gz	LQVXJOAQWGJKSW-NTZNESFSSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@@H]1CC[C@H](C(=O)C2CC2)C[C@H]1C	251829001	344875139	/nfs/dbraw/zinc/87/51/39/344875139.db2.gz	NHXGWTRXPBAYAC-KKZNHRDASA-N	0	0	180.291	3.038	10	0		AGAERN
C[C@@H]1CC[C@@H](C(=O)C2CC2)C[C@H]1C	251828996	344875306	/nfs/dbraw/zinc/87/53/06/344875306.db2.gz	NHXGWTRXPBAYAC-FXPVBKGRSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(C)C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1	251843893	344876400	/nfs/dbraw/zinc/87/64/00/344876400.db2.gz	OKLQRXNUHFSIOC-GMTAPVOTSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1	251843895	344876580	/nfs/dbraw/zinc/87/65/80/344876580.db2.gz	OKLQRXNUHFSIOC-HBNTYKKESA-N	0	0	182.307	3.284	10	0		AGAERN
CC[C@H](C)[C@H](O)[C@H]1CCC[C@H](C)C1	251856024	344877416	/nfs/dbraw/zinc/87/74/16/344877416.db2.gz	NTHZQKBGXGEZDQ-BJDJZHNGSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H](C)[C@H](O)[C@H]1CCC[C@@H](C)C1	251856025	344877447	/nfs/dbraw/zinc/87/74/47/344877447.db2.gz	NTHZQKBGXGEZDQ-RHYQMDGZSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@@H]1CCC[C@H](C(=O)[C@@H]2C[C@H]2C)C1	251923315	344880486	/nfs/dbraw/zinc/88/04/86/344880486.db2.gz	UTTBJYMJWJQTHW-CHWFTXMASA-N	0	0	180.291	3.038	10	0		AGAERN
C[C@@H]1CCC[C@H](C(=O)[C@H]2C[C@H]2C)C1	251923319	344880497	/nfs/dbraw/zinc/88/04/97/344880497.db2.gz	UTTBJYMJWJQTHW-ZNSHCXBVSA-N	0	0	180.291	3.038	10	0		AGAERN
C[C@H]1C[C@@H]1C(=O)[C@H]1CCC[C@@H](C)C1	251923318	344880762	/nfs/dbraw/zinc/88/07/62/344880762.db2.gz	UTTBJYMJWJQTHW-RCWTZXSCSA-N	0	0	180.291	3.038	10	0		AGAERN
C[C@@H]1CCC[C@H]([C@H]2CCC(=O)C2)C1	251935244	344881185	/nfs/dbraw/zinc/88/11/85/344881185.db2.gz	VPVDXNJDCXQMHT-VWYCJHECSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1CCC[C@@H]([C@H]2CCC(=O)C2)C1	251935240	344881757	/nfs/dbraw/zinc/88/17/57/344881757.db2.gz	VPVDXNJDCXQMHT-MXWKQRLJSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1CC[C@](O)(C2CCCC2)C[C@H]1C	251948480	344882108	/nfs/dbraw/zinc/88/21/08/344882108.db2.gz	WOWQSNKLLOUOIK-NQBHXWOUSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@H](C)C[C@@H]1CCC(=O)[C@H]1C	252026180	344883297	/nfs/dbraw/zinc/88/32/97/344883297.db2.gz	YHNUZCRCTODLAE-GUBZILKMSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@H](C)C[C@H]1CCC(=O)[C@H]1C	252026183	344883513	/nfs/dbraw/zinc/88/35/13/344883513.db2.gz	YHNUZCRCTODLAE-LPEHRKFASA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	252096546	344884625	/nfs/dbraw/zinc/88/46/25/344884625.db2.gz	HVXFAOVHJAJSAQ-URLYPYJESA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[C@H](C)O	252103973	344885139	/nfs/dbraw/zinc/88/51/39/344885139.db2.gz	IRZHCQPTRXBMPW-WRWGMCAJSA-N	0	0	184.323	3.076	10	0		AGAERN
C[C@H]1C[C@@H](C)C[C@H](C2(O)CCCC2)C1	252137715	344887713	/nfs/dbraw/zinc/88/77/13/344887713.db2.gz	MTGDDVGOGVXURD-GDNZZTSVSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@H]1C[C@@H](C)C[C@H]([C@@H]2CCCC2=O)C1	252149233	344888333	/nfs/dbraw/zinc/88/83/33/344888333.db2.gz	OIXRZXUUYORMNX-QCNOEVLYSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@H]1CC([C@H]2CCCC2=O)C[C@H](C)C1	252149230	344888354	/nfs/dbraw/zinc/88/83/54/344888354.db2.gz	OIXRZXUUYORMNX-CKYFFXLPSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@H]1C[C@@H](C)C[C@H]([C@H]2CCCC2=O)C1	252149231	344888387	/nfs/dbraw/zinc/88/83/87/344888387.db2.gz	OIXRZXUUYORMNX-NOOOWODRSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@H]1C[C@@H](C)C[C@H](C(=O)[C@H]2C[C@H]2C)C1	252197514	344890981	/nfs/dbraw/zinc/89/09/81/344890981.db2.gz	VSNDGFCQJHKAQO-LVEVGFFFSA-N	0	0	194.318	3.284	10	0		AGAERN
C[C@H]1C[C@@H](C)C[C@H](C(=O)[C@@H]2C[C@H]2C)C1	252197513	344891046	/nfs/dbraw/zinc/89/10/46/344891046.db2.gz	VSNDGFCQJHKAQO-CSYMLDBXSA-N	0	0	194.318	3.284	10	0		AGAERN
C[C@H]1C[C@@H](C)C[C@H](C(=O)[C@H]2C[C@@H]2C)C1	252197515	344891150	/nfs/dbraw/zinc/89/11/50/344891150.db2.gz	VSNDGFCQJHKAQO-MJDLHHQISA-N	0	0	194.318	3.284	10	0		AGAERN
C[C@H]1C[C@@H](C)C[C@](O)(C2CCCC2)C1	252204313	344891424	/nfs/dbraw/zinc/89/14/24/344891424.db2.gz	WWOVJMPURICPDW-PTEHBNRSSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)[C@H]1CC[C@@H](C)C[C@]1(O)C(C)C	252424276	344895564	/nfs/dbraw/zinc/89/55/64/344895564.db2.gz	GGJJMAGZRDEKKB-UPJWGTAASA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)[C@@H]1CC[C@@H](C)C[C@]1(O)C(C)C	252424275	344895583	/nfs/dbraw/zinc/89/55/83/344895583.db2.gz	GGJJMAGZRDEKKB-AGIUHOORSA-N	0	0	198.350	3.466	10	0		AGAERN
C[C@@H]1[C@H](O)CC[C@H]1CCC(C)(C)C	252467854	344898504	/nfs/dbraw/zinc/89/85/04/344898504.db2.gz	COZARAVSJPNLOF-GARJFASQSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC(=O)[C@@H]1CCC[C@H](C)[C@H]1C	252573055	344902200	/nfs/dbraw/zinc/90/22/00/344902200.db2.gz	DHTQEJOUCFQSHD-IVZWLZJFSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(=O)[C@@H]1CCC[C@@H](C)[C@H]1C	252573056	344902242	/nfs/dbraw/zinc/90/22/42/344902242.db2.gz	DHTQEJOUCFQSHD-OPRDCNLKSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(=O)[C@@H]1[C@@H](C)CCC[C@H]1C	252579722	344902702	/nfs/dbraw/zinc/90/27/02/344902702.db2.gz	OLSKLQKLUKRTCC-JZYVYDRUSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(=O)[C@@H]1CC[C@H](C)C[C@H]1C	252582671	344902999	/nfs/dbraw/zinc/90/29/99/344902999.db2.gz	VXHFQZUJCDQABC-IVZWLZJFSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(=O)[C@@H]1CC[C@@H](C)C[C@H]1C	252582672	344903082	/nfs/dbraw/zinc/90/30/82/344903082.db2.gz	VXHFQZUJCDQABC-OPRDCNLKSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(=O)[C@@H]1C[C@H](C)CC[C@H]1C	252582802	344903087	/nfs/dbraw/zinc/90/30/87/344903087.db2.gz	WFBSTOBVVDHROT-OPRDCNLKSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(=O)[C@@H]1C[C@@H](C)CC[C@H]1C	252582801	344903096	/nfs/dbraw/zinc/90/30/96/344903096.db2.gz	WFBSTOBVVDHROT-IVZWLZJFSA-N	0	0	168.280	3.038	10	0		AGAERN
CC/C(=C/[C@@H]1CCC[C@H](C)C1)CO	252581215	344903099	/nfs/dbraw/zinc/90/30/99/344903099.db2.gz	SETNHOMLNIXFNL-ZCTNLYAYSA-N	0	0	182.307	3.141	10	0		AGAERN
CC(C)C(=O)[C@H]1C[C@H](C)CC[C@H]1C	252580977	344903187	/nfs/dbraw/zinc/90/31/87/344903187.db2.gz	RNHQVOBVVYUQRC-MXWKQRLJSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)[C@H](O)C[C@@H]1CC[C@H](C)[C@@H](C)C1	252591033	344903484	/nfs/dbraw/zinc/90/34/84/344903484.db2.gz	DGHKNPRWYXQWOS-WUHRBBMRSA-N	0	0	198.350	3.466	10	0		AGAERN
C[C@H]1CC[C@@H]([C@@H](C)[C@H](C)O)C[C@@H]1C	252594052	344903491	/nfs/dbraw/zinc/90/34/91/344903491.db2.gz	GGMDBTDWGKMPAG-UHFZAUJKSA-N	0	0	184.323	3.076	10	0		AGAERN
CC(C)[C@H](O)C[C@@H]1CC[C@H](C)[C@H](C)C1	252591032	344903538	/nfs/dbraw/zinc/90/35/38/344903538.db2.gz	DGHKNPRWYXQWOS-UMSGYPCISA-N	0	0	198.350	3.466	10	0		AGAERN
C[C@H](O)[C@H](C)[C@@H]1CC[C@@H](C)[C@H](C)C1	252594051	344903601	/nfs/dbraw/zinc/90/36/01/344903601.db2.gz	GGMDBTDWGKMPAG-LDMBFOFVSA-N	0	0	184.323	3.076	10	0		AGAERN
C[C@H]1C[C@@H](C)C[C@H](CC(=O)C2CC2)C1	252591736	344903665	/nfs/dbraw/zinc/90/36/65/344903665.db2.gz	DSAQIWHDHDQBEB-URLYPYJESA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)[C@H](O)C[C@@H]1CC[C@@H](C)[C@H](C)C1	252591031	344903654	/nfs/dbraw/zinc/90/36/54/344903654.db2.gz	DGHKNPRWYXQWOS-FDYHWXHSSA-N	0	0	198.350	3.466	10	0		AGAERN
C[C@H]1CC[C@@H]([C@@H](C)[C@H](C)O)C[C@H]1C	252594049	344903688	/nfs/dbraw/zinc/90/36/88/344903688.db2.gz	GGMDBTDWGKMPAG-KZZRWZIVSA-N	0	0	184.323	3.076	10	0		AGAERN
CC(C)C(=O)[C@@H]1[C@@H](C)CCC[C@H]1C	252583716	344903729	/nfs/dbraw/zinc/90/37/29/344903729.db2.gz	YKNXIEAYSQKCNU-URLYPYJESA-N	0	0	182.307	3.284	10	0		AGAERN
O[C@]1(C2CCCCCC2)[C@H]2CCC[C@H]21	252584374	344903832	/nfs/dbraw/zinc/90/38/32/344903832.db2.gz	ZZYACXMMKAVGES-ITGUQSILSA-N	0	0	194.318	3.118	10	0		AGAERN
CC[C@@H]1CCC[C@H]([C@@H](C)[C@H](C)O)C1	252603523	344903951	/nfs/dbraw/zinc/90/39/51/344903951.db2.gz	OAMVVINZQRSIHP-YFKTTZPYSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(=O)C[C@@H]1CC[C@H](C)[C@H](C)C1	252596652	344904132	/nfs/dbraw/zinc/90/41/32/344904132.db2.gz	ILOKNXWVWWIMJV-IQJOONFLSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)C[C@@H]1CC[C@@H](C)[C@H](C)C1	252596651	344904146	/nfs/dbraw/zinc/90/41/46/344904146.db2.gz	ILOKNXWVWWIMJV-FXPVBKGRSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	252600561	344904207	/nfs/dbraw/zinc/90/42/07/344904207.db2.gz	LRWBUXGQBDWVSU-JZYVYDRUSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@@H]1CCC[C@H]([C@H](C)[C@H](C)O)C1	252603522	344904288	/nfs/dbraw/zinc/90/42/88/344904288.db2.gz	OAMVVINZQRSIHP-KXNHARMFSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@@H]1CCC[C@H]([C@H](C)[C@@H](C)O)C1	252603521	344904304	/nfs/dbraw/zinc/90/43/04/344904304.db2.gz	OAMVVINZQRSIHP-KKOKHZNYSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(=O)[C@H](C)[C@@H]1CC[C@@H](C)[C@H](C)C1	252609456	344904666	/nfs/dbraw/zinc/90/46/66/344904666.db2.gz	TXSUHMKSKXVTHS-MWGHHZFTSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(=O)[C@@H](C)[C@@H]1C[C@@H](C)C[C@@H](C)C1	252609457	344904797	/nfs/dbraw/zinc/90/47/97/344904797.db2.gz	TXTDENQVDOKZOW-KLBPJQLPSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(=O)[C@H](C)[C@@H]1CC[C@H](C)[C@H](C)C1	252609455	344904853	/nfs/dbraw/zinc/90/48/53/344904853.db2.gz	TXSUHMKSKXVTHS-MIZYBKAJSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(=O)[C@H](C)[C@@H]1C[C@@H](C)C[C@@H](C)C1	252609458	344904889	/nfs/dbraw/zinc/90/48/89/344904889.db2.gz	TXTDENQVDOKZOW-MIZYBKAJSA-N	0	0	182.307	3.284	10	0		AGAERN
C[C@H]1C[C@@H](C)C[C@H](C[C@H](O)C2CC2)C1	252612349	344904917	/nfs/dbraw/zinc/90/49/17/344904917.db2.gz	WHGHMZUCRFEPHZ-WGBDABJCSA-N	0	0	196.334	3.220	10	0		AGAERN
C[C@H]1C[C@@H](C)C[C@H](C[C@@H](O)C2CC2)C1	252612348	344904926	/nfs/dbraw/zinc/90/49/26/344904926.db2.gz	WHGHMZUCRFEPHZ-MPPDQPJWSA-N	0	0	196.334	3.220	10	0		AGAERN
CC[C@H]([C@@H](C)O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	252615333	344905170	/nfs/dbraw/zinc/90/51/70/344905170.db2.gz	YXQALNGRVBKHCR-RXGFPQBGSA-N	0	0	198.350	3.466	10	0		AGAERN
CC[C@@H](C1C[C@@H](C)C[C@H](C)C1)[C@H](C)O	252615329	344905401	/nfs/dbraw/zinc/90/54/01/344905401.db2.gz	YXQALNGRVBKHCR-MRBYEJRBSA-N	0	0	198.350	3.466	10	0		AGAERN
CC[C@@H](C1C[C@H](C)C[C@@H](C)C1)[C@H](C)O	252615327	344905455	/nfs/dbraw/zinc/90/54/55/344905455.db2.gz	YXQALNGRVBKHCR-HNCHTBHHSA-N	0	0	198.350	3.466	10	0		AGAERN
CC[C@H](C)[C@]1(O)CC[C@@H](C)[C@H](C)C1	252617993	344905472	/nfs/dbraw/zinc/90/54/72/344905472.db2.gz	CRCSYORGHQODQR-WYUUTHIRSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H]([C@H](C)O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	252615331	344905508	/nfs/dbraw/zinc/90/55/08/344905508.db2.gz	YXQALNGRVBKHCR-OBPIAQAESA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)=C[C@]1(O)CC[C@H](C)[C@H](C)C1	252642982	344905676	/nfs/dbraw/zinc/90/56/76/344905676.db2.gz	NHSCYDPUAXUHNC-QJPTWQEYSA-N	0	0	182.307	3.140	10	0		AGAERN
CC(C)=C[C@]1(O)CC[C@@H](C)[C@H](C)C1	252642981	344905690	/nfs/dbraw/zinc/90/56/90/344905690.db2.gz	NHSCYDPUAXUHNC-IJLUTSLNSA-N	0	0	182.307	3.140	10	0		AGAERN
CC(C)[C@@H]1CC[C@@H](C)C/C1=C\[C@H](C)O	252776326	344914282	/nfs/dbraw/zinc/91/42/82/344914282.db2.gz	KLNNGPBGTMDKBF-KOUSERIFSA-N	0	0	196.334	3.386	10	0		AGAERN
CC(C)(C)C(=O)[C@@H]1[C@H]2CCCC[C@H]21	253184072	344930151	/nfs/dbraw/zinc/93/01/51/344930151.db2.gz	HBQQBARIAUUARJ-MYJAWHEDSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(C)SCc1nccn1C(C)C	257954601	344943681	/nfs/dbraw/zinc/94/36/81/344943681.db2.gz	XMHGFHXAHGIXBN-UHFFFAOYSA-N	0	0	198.335	3.106	10	0		AGAERN
CC(=O)c1ccc2scc(C)c2c1	258189766	344944359	/nfs/dbraw/zinc/94/43/59/344944359.db2.gz	TXVGUQUMZOPWBN-UHFFFAOYSA-N	0	0	190.267	3.412	10	0	in-vitro	AGAERN
CCOC(=O)C[C@H]1CCCC(C)(C)C1	259799152	344951055	/nfs/dbraw/zinc/95/10/55/344951055.db2.gz	JSHAGNWYNXXAEC-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
CCOC(=O)C[C@@H]1CCCC(C)(C)C1	259799149	344951117	/nfs/dbraw/zinc/95/11/17/344951117.db2.gz	JSHAGNWYNXXAEC-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
CC[C@@H]1[C@@H](C)CCC[C@H]1C	261522915	344956757	/nfs/dbraw/zinc/95/67/57/344956757.db2.gz	QZUJWESVOYGMQY-MYJAWHEDSA-N	0	0	140.270	3.469	10	0		AGAERN
CCC[C@H](O)[C@@H]1CC(C)=C[C@H](C)C1	300012601	344962786	/nfs/dbraw/zinc/96/27/86/344962786.db2.gz	RNGUSTFWJQILBZ-DLOVCJGASA-N	0	0	182.307	3.140	10	0		AGAERN
CCC[C@H](O)[C@H]1CC(C)=C[C@H](C)C1	300012602	344962817	/nfs/dbraw/zinc/96/28/17/344962817.db2.gz	RNGUSTFWJQILBZ-WCQGTBRESA-N	0	0	182.307	3.140	10	0		AGAERN
CC1CC(O)([C@@H]2C[C@@H](C)C[C@@H](C)C2)C1	300047139	344966102	/nfs/dbraw/zinc/96/61/02/344966102.db2.gz	CVEVLRHXOMQELG-ZMFKDXALSA-N	0	0	196.334	3.220	10	0		AGAERN
CC1(C)CC[C@@](O)(CCC2CC2)C1	300058230	344968614	/nfs/dbraw/zinc/96/86/14/344968614.db2.gz	WESPXZUEFVAPLC-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@H](C)[C@H]1CNc2ccccc21	300212580	344971042	/nfs/dbraw/zinc/97/10/42/344971042.db2.gz	AFPDZEXLSURQEB-GXSJLCMTSA-N	0	0	175.275	3.242	10	0		AGAERN
CC[C@H](C)[C@H]1CNc2ccc(F)cc21	300223738	344971889	/nfs/dbraw/zinc/97/18/89/344971889.db2.gz	GQALLEHVPRJIDM-GZMMTYOYSA-N	0	0	193.265	3.381	10	0		AGAERN
CCC[C@@H]1C[C@]1(O)[C@H]1CCCC1(C)C	300234813	344972205	/nfs/dbraw/zinc/97/22/05/344972205.db2.gz	PDPVNUFLIYDJQC-NTZNESFSSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@@H]1CCC[C@H]1[C@H](O)c1cccs1	300234808	344972358	/nfs/dbraw/zinc/97/23/58/344972358.db2.gz	PDIDHLXFZBAYOQ-KKZNHRDASA-N	0	0	196.315	3.218	10	0		AGAERN
CCC[C@@H]1C[C@@]1(O)[C@H]1CCCC1(C)C	300234812	344972380	/nfs/dbraw/zinc/97/23/80/344972380.db2.gz	PDPVNUFLIYDJQC-MDZLAQPJSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@@H]1CCC[C@@H]1[C@H](O)c1cccs1	300234809	344972394	/nfs/dbraw/zinc/97/23/94/344972394.db2.gz	PDIDHLXFZBAYOQ-YWVKMMECSA-N	0	0	196.315	3.218	10	0		AGAERN
C[C@@H]1CCC[C@H]1[C@H](O)C1=CCCCC1	300236890	344972399	/nfs/dbraw/zinc/97/23/99/344972399.db2.gz	WYXLRXFJBJMHRE-RAIGVLPGSA-N	0	0	194.318	3.284	10	0		AGAERN
C[C@@H]1CCC[C@@H]1[C@H](O)C1=CCCCC1	300236889	344972471	/nfs/dbraw/zinc/97/24/71/344972471.db2.gz	WYXLRXFJBJMHRE-KGYLQXTDSA-N	0	0	194.318	3.284	10	0		AGAERN
CCC[C@H](C)[C@@H]1CCC(=O)[C@H]1C	300332453	344973583	/nfs/dbraw/zinc/97/35/83/344973583.db2.gz	AXHNWRMMUDJRLA-GUBZILKMSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC[C@H](C)[C@@H](O)[C@H](C)CCC	300332878	344973731	/nfs/dbraw/zinc/97/37/31/344973731.db2.gz	BMQHYGGEHXVXPT-URLYPYJESA-N	0	0	172.312	3.220	10	0		AGAERN
CCC[C@H](C)[C@H]1CCC(=O)[C@H]1C	300332454	344973785	/nfs/dbraw/zinc/97/37/85/344973785.db2.gz	AXHNWRMMUDJRLA-LPEHRKFASA-N	0	0	168.280	3.038	10	0		AGAERN
CCC[C@@H](C)[C@@]1(O)CCC(C)(C)C1	300344595	344975015	/nfs/dbraw/zinc/97/50/15/344975015.db2.gz	DKBLQSGYAJLSRX-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1cccc(NCC2CC2)c1Cl	300767990	344993911	/nfs/dbraw/zinc/99/39/11/344993911.db2.gz	WDRZTEPYRZWATF-UHFFFAOYSA-N	0	0	195.693	3.470	10	0		AGAERN
Cc1csc(CCC(C)(C)C)n1	300778552	344995995	/nfs/dbraw/zinc/99/59/95/344995995.db2.gz	UDDJZDIBIIBKGA-UHFFFAOYSA-N	0	0	183.320	3.430	10	0		AGAERN
O=[N+]([O-])/C=C/C1CCCCCCC1	300787386	344997562	/nfs/dbraw/zinc/99/75/62/344997562.db2.gz	BDDKWBXPCPMTFE-CMDGGOBGSA-N	0	0	183.251	3.137	10	0		AGAERN
OC1(CCC2CCCCC2)CCC1	300798636	345000110	/nfs/dbraw/zinc/00/01/10/345000110.db2.gz	VBYWBSCPFYUQQO-UHFFFAOYSA-N	0	0	182.307	3.262	10	0		AGAERN
CC1CC(O)(CCC2CCCC2)C1	300799530	345000113	/nfs/dbraw/zinc/00/01/13/345000113.db2.gz	VFHNOFOIAHURDZ-UHFFFAOYSA-N	0	0	182.307	3.118	10	0		AGAERN
O[C@H]1C=C(CCC2CCCC2)CC1	300818545	345001561	/nfs/dbraw/zinc/00/15/61/345001561.db2.gz	YTCDDQGQZRPLBR-GFCCVEGCSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(C)C[C@H](C)c1cc(Cl)on1	300819985	345001656	/nfs/dbraw/zinc/00/16/56/345001656.db2.gz	AYERRAOZBKPOFJ-ZETCQYMHSA-N	0	0	187.670	3.478	10	0		AGAERN
CC(C)C[C@@H](C)c1cc(Cl)on1	300819982	345001981	/nfs/dbraw/zinc/00/19/81/345001981.db2.gz	AYERRAOZBKPOFJ-SSDOTTSWSA-N	0	0	187.670	3.478	10	0		AGAERN
O[C@@H]1C=C(CCC2CCCC2)CC1	300818547	345002001	/nfs/dbraw/zinc/00/20/01/345002001.db2.gz	YTCDDQGQZRPLBR-LBPRGKRZSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(C)C(=O)[C@@H]1CCCC(F)(F)C1	300834413	345003750	/nfs/dbraw/zinc/00/37/50/345003750.db2.gz	FSDFCMJLYHWEHD-MRVPVSSYSA-N	0	0	190.233	3.037	10	0		AGAERN
CC(C)C(=O)[C@H]1CCCC(F)(F)C1	300834416	345004334	/nfs/dbraw/zinc/00/43/34/345004334.db2.gz	FSDFCMJLYHWEHD-QMMMGPOBSA-N	0	0	190.233	3.037	10	0		AGAERN
Cc1cc(C(=O)[C@@H](C)C(C)C)oc1C	300862097	345006482	/nfs/dbraw/zinc/00/64/82/345006482.db2.gz	JCZCSGJOMNYVOB-VIFPVBQESA-N	0	0	194.274	3.371	10	0		AGAERN
Cc1cc(C(=O)CC(C)C)oc1C	300862100	345006501	/nfs/dbraw/zinc/00/65/01/345006501.db2.gz	JDBAGNKXSDEYQQ-UHFFFAOYSA-N	0	0	180.247	3.125	10	0		AGAERN
Cc1cc(C(=O)[C@H](C)C(C)C)oc1C	300862094	345006557	/nfs/dbraw/zinc/00/65/57/345006557.db2.gz	JCZCSGJOMNYVOB-SECBINFHSA-N	0	0	194.274	3.371	10	0		AGAERN
CCc1ccc(NC2CC2)cc1C	300860705	345006686	/nfs/dbraw/zinc/00/66/86/345006686.db2.gz	IYLDAOFBOCKDCO-UHFFFAOYSA-N	0	0	175.275	3.132	10	0		AGAERN
CC(C)(C)CCc1nccc(Cl)n1	300857392	345006701	/nfs/dbraw/zinc/00/67/01/345006701.db2.gz	LTSKJPAKDKQOOG-UHFFFAOYSA-N	0	0	198.697	3.109	10	0		AGAERN
CC1(C)CCNc2c(F)ccc(F)c21	300868245	345007483	/nfs/dbraw/zinc/00/74/83/345007483.db2.gz	WUDINKKEDOFHBY-UHFFFAOYSA-N	0	0	197.228	3.058	10	0		AGAERN
CCc1cc(NC2CC2)ccc1C	300867050	345007550	/nfs/dbraw/zinc/00/75/50/345007550.db2.gz	JZRCZCRDLPYQFT-UHFFFAOYSA-N	0	0	175.275	3.132	10	0		AGAERN
CC1(C)CCNc2cc(F)c(F)cc21	300874039	345008141	/nfs/dbraw/zinc/00/81/41/345008141.db2.gz	XVQPOWXKDKJABM-UHFFFAOYSA-N	0	0	197.228	3.058	10	0		AGAERN
Cc1cccc(NCCF)c1Cl	300873981	345008187	/nfs/dbraw/zinc/00/81/87/345008187.db2.gz	LKKKFGGBIRBDTK-UHFFFAOYSA-N	0	0	187.645	3.030	10	0		AGAERN
Cc1cccc(NC2CC2)c1Cl	300883941	345009155	/nfs/dbraw/zinc/00/91/55/345009155.db2.gz	NHEPSCZRVZOKKA-UHFFFAOYSA-N	0	0	181.666	3.223	10	0		AGAERN
CCCNc1cccc(C)c1Cl	300888133	345009292	/nfs/dbraw/zinc/00/92/92/345009292.db2.gz	OANOKOVTIKXSOZ-UHFFFAOYSA-N	0	0	183.682	3.470	10	0		AGAERN
Cc1ccc2ccc(Cl)nc2c1F	300892791	345009725	/nfs/dbraw/zinc/00/97/25/345009725.db2.gz	BTMGCZZCQYNWKC-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
CCc1ccc(NCC(F)F)cc1C	300892152	345009744	/nfs/dbraw/zinc/00/97/44/345009744.db2.gz	OQTOVVYQWPDYLL-UHFFFAOYSA-N	0	0	199.244	3.234	10	0		AGAERN
C[C@@H]1CC(C)(C)C[C@@]12[C@@H](CO)C2(C)C	300900917	345010663	/nfs/dbraw/zinc/01/06/63/345010663.db2.gz	CGEXBCFRACYLJX-NRUUGDAUSA-N	0	0	196.334	3.077	10	0		AGAERN
C[C@@H]1CC(C)(C)C[C@]12[C@@H](CO)C2(C)C	300900912	345010757	/nfs/dbraw/zinc/01/07/57/345010757.db2.gz	CGEXBCFRACYLJX-GBIKHYSHSA-N	0	0	196.334	3.077	10	0		AGAERN
C[C@@H]1CC(C)(C)C[C@]12[C@H](CO)C2(C)C	300900915	345010819	/nfs/dbraw/zinc/01/08/19/345010819.db2.gz	CGEXBCFRACYLJX-GIPNMCIBSA-N	0	0	196.334	3.077	10	0		AGAERN
CC[C@H](C)C(=O)c1cc(C)c(C)o1	300911396	345012550	/nfs/dbraw/zinc/01/25/50/345012550.db2.gz	RUMDDPCWBGDZFL-ZETCQYMHSA-N	0	0	180.247	3.125	10	0		AGAERN
CC[C@@H](C)C(=O)c1cc(C)c(C)o1	300911394	345012665	/nfs/dbraw/zinc/01/26/65/345012665.db2.gz	RUMDDPCWBGDZFL-SSDOTTSWSA-N	0	0	180.247	3.125	10	0		AGAERN
Cc1cc(Cl)ccc1NCCF	300926103	345013690	/nfs/dbraw/zinc/01/36/90/345013690.db2.gz	HOKHKOFKOPKMOE-UHFFFAOYSA-N	0	0	187.645	3.030	10	0		AGAERN
Cc1cc(C(=O)C2CCCC2)oc1C	300940581	345016126	/nfs/dbraw/zinc/01/61/26/345016126.db2.gz	XRVSTJCGMKEZLK-UHFFFAOYSA-N	0	0	192.258	3.269	10	0		AGAERN
CC(=O)CC[C@@H]1CCCC(F)(F)C1	300957930	345018170	/nfs/dbraw/zinc/01/81/70/345018170.db2.gz	PBWDKTRNJQZLNG-VIFPVBQESA-N	0	0	190.233	3.181	10	0		AGAERN
CC(=O)CC[C@H]1CCCC(F)(F)C1	300957927	345018261	/nfs/dbraw/zinc/01/82/61/345018261.db2.gz	PBWDKTRNJQZLNG-SECBINFHSA-N	0	0	190.233	3.181	10	0		AGAERN
CC(C)(C)CCNc1cncc(F)c1	300954554	345018332	/nfs/dbraw/zinc/01/83/32/345018332.db2.gz	MHOCQAJSDZAHBO-UHFFFAOYSA-N	0	0	196.269	3.069	10	0		AGAERN
CC1(C)[C@@H](C2CCCCCC2)[C@H]1CO	300962901	345019268	/nfs/dbraw/zinc/01/92/68/345019268.db2.gz	ILGPRFVTGGQHLQ-NEPJUHHUSA-N	0	0	196.334	3.221	10	0		AGAERN
CC1(C)[C@@H](CO)[C@H]1C1CCCCCC1	300962905	345019303	/nfs/dbraw/zinc/01/93/03/345019303.db2.gz	ILGPRFVTGGQHLQ-NWDGAFQWSA-N	0	0	196.334	3.221	10	0		AGAERN
CC1(C)[C@@H](CO)[C@@H]1C1CCCCCC1	300962908	345019307	/nfs/dbraw/zinc/01/93/07/345019307.db2.gz	ILGPRFVTGGQHLQ-RYUDHWBXSA-N	0	0	196.334	3.221	10	0		AGAERN
Cc1cc(Cl)ncc1NCC(C)C	300965650	345019320	/nfs/dbraw/zinc/01/93/20/345019320.db2.gz	ONLJVKVFCXWGNK-UHFFFAOYSA-N	0	0	198.697	3.111	10	0		AGAERN
CC1(C)[C@H](CO)[C@H]1C1CCCCCC1	300962911	345019410	/nfs/dbraw/zinc/01/94/10/345019410.db2.gz	ILGPRFVTGGQHLQ-VXGBXAGGSA-N	0	0	196.334	3.221	10	0		AGAERN
CC[C@@H](C)Nc1cnc(Cl)cc1C	300963055	345019449	/nfs/dbraw/zinc/01/94/49/345019449.db2.gz	OANCITJDUZVWBD-MRVPVSSYSA-N	0	0	198.697	3.254	10	0		AGAERN
CC[C@H](C)Nc1cnc(Cl)cc1C	300963057	345019475	/nfs/dbraw/zinc/01/94/75/345019475.db2.gz	OANCITJDUZVWBD-QMMMGPOBSA-N	0	0	198.697	3.254	10	0		AGAERN
Cc1ccc2c(Cl)ccnc2c1F	300964801	345019479	/nfs/dbraw/zinc/01/94/79/345019479.db2.gz	OKGURTBTGWSXOY-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
CC(C)C(=O)C[C@@H]1CCC(F)(F)C1	300967396	345019826	/nfs/dbraw/zinc/01/98/26/345019826.db2.gz	QHCZTRCIXXYMJC-QMMMGPOBSA-N	0	0	190.233	3.037	10	0		AGAERN
CC(C)C(=O)C[C@H]1CCC(F)(F)C1	300967395	345019862	/nfs/dbraw/zinc/01/98/62/345019862.db2.gz	QHCZTRCIXXYMJC-MRVPVSSYSA-N	0	0	190.233	3.037	10	0		AGAERN
C/C=C/CNc1cccc(C)c1F	300967241	345019902	/nfs/dbraw/zinc/01/99/02/345019902.db2.gz	OVHLBFINJAGPRS-ONEGZZNKSA-N	0	0	179.238	3.122	10	0		AGAERN
Cc1cc(Cl)ncc1NC1CCC1	300993359	345023118	/nfs/dbraw/zinc/02/31/18/345023118.db2.gz	VRNONSQJUSDBIX-UHFFFAOYSA-N	0	0	196.681	3.008	10	0		AGAERN
C[C@@H]1C[C@@H](C)CC2(C1)[C@H](CO)C2(C)C	301030692	345029626	/nfs/dbraw/zinc/02/96/26/345029626.db2.gz	URBFASOYRVAEJS-GMTAPVOTSA-N	0	0	196.334	3.077	10	0		AGAERN
C[C@H]1C[C@@H](C)C[C@]2(C1)[C@@H](CO)C2(C)C	301030694	345029669	/nfs/dbraw/zinc/02/96/69/345029669.db2.gz	URBFASOYRVAEJS-SRRSOLGSSA-N	0	0	196.334	3.077	10	0		AGAERN
C[C@H]1C[C@@H](C)C[C@]2(C1)[C@H](CO)C2(C)C	301030695	345029712	/nfs/dbraw/zinc/02/97/12/345029712.db2.gz	URBFASOYRVAEJS-XZUYRWCXSA-N	0	0	196.334	3.077	10	0		AGAERN
C[C@@H]1C[C@@H](C)CC2(C1)[C@@H](CO)C2(C)C	301030693	345029758	/nfs/dbraw/zinc/02/97/58/345029758.db2.gz	URBFASOYRVAEJS-MXWKQRLJSA-N	0	0	196.334	3.077	10	0		AGAERN
Cc1ccc(F)cc1C(=O)C(C)(C)F	306147930	345036311	/nfs/dbraw/zinc/03/63/11/345036311.db2.gz	AHXDZSDRPMVBDE-UHFFFAOYSA-N	0	0	198.212	3.065	10	0		AGAERN
CC(C)[C@@H](C)c1cc(Cl)on1	306148276	345036895	/nfs/dbraw/zinc/03/68/95/345036895.db2.gz	AOYSUVJZJZJFMG-ZCFIWIBFSA-N	0	0	173.643	3.088	10	0		AGAERN
CC(C)[C@H](C)c1cc(Cl)on1	306148275	345036936	/nfs/dbraw/zinc/03/69/36/345036936.db2.gz	AOYSUVJZJZJFMG-LURJTMIESA-N	0	0	173.643	3.088	10	0		AGAERN
Cc1ccc(SCCF)c(C)c1	306149955	345038871	/nfs/dbraw/zinc/03/88/71/345038871.db2.gz	FKRMYZHGWNYJNJ-UHFFFAOYSA-N	0	0	184.279	3.365	10	0		AGAERN
CCc1ccccc1C(=O)C(C)(F)F	306152399	345042820	/nfs/dbraw/zinc/04/28/20/345042820.db2.gz	AKCWEGKVANHBSQ-UHFFFAOYSA-N	0	0	198.212	3.087	10	0		AGAERN
C[C@@H]1CCNc2c(Cl)ccc(F)c21	306154240	345044920	/nfs/dbraw/zinc/04/49/20/345044920.db2.gz	JQZBACXNNHDXIE-ZCFIWIBFSA-N	0	0	199.656	3.398	10	0		AGAERN
C[C@H]1CCNc2c(Cl)ccc(F)c21	306154239	345044990	/nfs/dbraw/zinc/04/49/90/345044990.db2.gz	JQZBACXNNHDXIE-LURJTMIESA-N	0	0	199.656	3.398	10	0		AGAERN
CC(C)(C)[C@H]1CCc2c(N)cccc21	306157431	345047650	/nfs/dbraw/zinc/04/76/50/345047650.db2.gz	JAFHMAMXGUVYNT-NSHDSACASA-N	0	0	189.302	3.345	10	0		AGAERN
CCC1(C(=O)[C@]2(C)CCCS2)CC1	306157257	345047742	/nfs/dbraw/zinc/04/77/42/345047742.db2.gz	JSCLUYDEGZGSPV-JTQLQIEISA-N	0	0	198.331	3.031	10	0		AGAERN
CCC1(C(=O)[C@@]2(C)CCCS2)CC1	306157259	345047939	/nfs/dbraw/zinc/04/79/39/345047939.db2.gz	JSCLUYDEGZGSPV-SNVBAGLBSA-N	0	0	198.331	3.031	10	0		AGAERN
CC(C)(C)[C@@H]1CCc2c(N)cccc21	306157430	345047985	/nfs/dbraw/zinc/04/79/85/345047985.db2.gz	JAFHMAMXGUVYNT-LLVKDONJSA-N	0	0	189.302	3.345	10	0		AGAERN
CC1(C[C@H]2CCC(=O)C2)CCCC1	306158962	345048759	/nfs/dbraw/zinc/04/87/59/345048759.db2.gz	OTWULFVHIYHALZ-JTQLQIEISA-N	0	0	180.291	3.326	10	0		AGAERN
CC1(C[C@@H]2CC[C@H](O)C2)CCCC1	306158610	345048779	/nfs/dbraw/zinc/04/87/79/345048779.db2.gz	NZJARZDDHCKPQW-MNOVXSKESA-N	0	0	182.307	3.118	10	0		AGAERN
CC1(C[C@@H]2CC[C@@H](O)C2)CCCC1	306158608	345048796	/nfs/dbraw/zinc/04/87/96/345048796.db2.gz	NZJARZDDHCKPQW-GHMZBOCLSA-N	0	0	182.307	3.118	10	0		AGAERN
CC1(C[C@H]2CC[C@H](O)C2)CCCC1	306158613	345048875	/nfs/dbraw/zinc/04/88/75/345048875.db2.gz	NZJARZDDHCKPQW-QWRGUYRKSA-N	0	0	182.307	3.118	10	0		AGAERN
CC1(C[C@H]2CC[C@@H](O)C2)CCCC1	306158615	345048916	/nfs/dbraw/zinc/04/89/16/345048916.db2.gz	NZJARZDDHCKPQW-WDEREUQCSA-N	0	0	182.307	3.118	10	0		AGAERN
CC1(C[C@@H]2CCC(=O)C2)CCCC1	306158990	345049179	/nfs/dbraw/zinc/04/91/79/345049179.db2.gz	OTWULFVHIYHALZ-SNVBAGLBSA-N	0	0	180.291	3.326	10	0		AGAERN
C[C@H](Nc1ccccc1)[C@H]1C[C@H]1C	306159549	345049898	/nfs/dbraw/zinc/04/98/98/345049898.db2.gz	KSPCGIUQGSJBES-SCVCMEIPSA-N	0	0	175.275	3.143	10	0		AGAERN
C[C@@H]1C[C@H]1[C@@H](C)Nc1ccccc1	306159525	345049994	/nfs/dbraw/zinc/04/99/94/345049994.db2.gz	KSPCGIUQGSJBES-CKYFFXLPSA-N	0	0	175.275	3.143	10	0		AGAERN
C[C@@H]1C[C@@H]1[C@@H](C)Nc1ccccc1	306159534	345050116	/nfs/dbraw/zinc/05/01/16/345050116.db2.gz	KSPCGIUQGSJBES-FOGDFJRCSA-N	0	0	175.275	3.143	10	0		AGAERN
C[C@H](Nc1ccccc1)[C@@H]1C[C@H]1C	306159542	345050134	/nfs/dbraw/zinc/05/01/34/345050134.db2.gz	KSPCGIUQGSJBES-JFGNBEQYSA-N	0	0	175.275	3.143	10	0		AGAERN
CC(C)[C@@H](C)[C@@H]1CCCCCC1=O	306165910	345056989	/nfs/dbraw/zinc/05/69/89/345056989.db2.gz	PKKSXWATQJUFIO-MNOVXSKESA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)[C@@H](C)[C@H]1CCCCCC1=O	306165907	345057013	/nfs/dbraw/zinc/05/70/13/345057013.db2.gz	PKKSXWATQJUFIO-GHMZBOCLSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)[C@H](C)[C@H]1CCCCCC1=O	306165915	345057312	/nfs/dbraw/zinc/05/73/12/345057312.db2.gz	PKKSXWATQJUFIO-WDEREUQCSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)[C@H](C)[C@@H]1CCCCCC1=O	306165913	345057467	/nfs/dbraw/zinc/05/74/67/345057467.db2.gz	PKKSXWATQJUFIO-QWRGUYRKSA-N	0	0	182.307	3.428	10	0		AGAERN
Cc1c(N)cccc1C1=CCCC1	306167498	345058915	/nfs/dbraw/zinc/05/89/15/345058915.db2.gz	DBZWMOABBQYUAO-UHFFFAOYSA-N	0	0	173.259	3.145	10	0		AGAERN
CC(C)=CCNc1ccc(Cl)nc1	306169201	345060573	/nfs/dbraw/zinc/06/05/73/345060573.db2.gz	AFBAYZWFYPSCID-UHFFFAOYSA-N	0	0	196.681	3.113	10	0		AGAERN
Cc1cc(F)cc2c1[C@@H](C)CCN2	306174586	345065361	/nfs/dbraw/zinc/06/53/61/345065361.db2.gz	HAUGZPYPXUFEOK-ZETCQYMHSA-N	0	0	179.238	3.053	10	0		AGAERN
CCC(C)(C)CNc1cnccc1C	306174886	345065365	/nfs/dbraw/zinc/06/53/65/345065365.db2.gz	MHRQPDNHRBRGJN-UHFFFAOYSA-N	0	0	192.306	3.238	10	0		AGAERN
CC1(C2=NC(=O)CS2)CCCCC1	306174397	345065412	/nfs/dbraw/zinc/06/54/12/345065412.db2.gz	VOMSEAQRVHDDMS-UHFFFAOYSA-N	0	0	197.303	3.071	10	0		AGAERN
Cc1cc(F)cc2c1[C@H](C)CCN2	306174583	345065627	/nfs/dbraw/zinc/06/56/27/345065627.db2.gz	HAUGZPYPXUFEOK-SSDOTTSWSA-N	0	0	179.238	3.053	10	0		AGAERN
CCc1nc2c(C)c(Cl)ccc2[nH]1	306177295	345067793	/nfs/dbraw/zinc/06/77/93/345067793.db2.gz	XMSXPIPBJYPRJB-UHFFFAOYSA-N	0	0	194.665	3.087	10	0		AGAERN
CCC1(C(=O)c2ccccc2F)CC1	306178207	345068734	/nfs/dbraw/zinc/06/87/34/345068734.db2.gz	HEHWLTWXJZLEJI-UHFFFAOYSA-N	0	0	192.233	3.199	10	0		AGAERN
CCC(C)(C)CNc1ccc(O)cc1	306178215	345068847	/nfs/dbraw/zinc/06/88/47/345068847.db2.gz	PIQCETJYBHGEMQ-UHFFFAOYSA-N	0	0	193.290	3.240	10	0		AGAERN
CC(C)(C)Sc1c(N)cccc1F	306179066	345070155	/nfs/dbraw/zinc/07/01/55/345070155.db2.gz	UJTMLQOYPLMULE-UHFFFAOYSA-N	0	0	199.294	3.299	10	0		AGAERN
CCc1[nH]c(=S)[nH]c1C1CCCC1	306179091	345070263	/nfs/dbraw/zinc/07/02/63/345070263.db2.gz	QPVVGQFVICDGJY-UHFFFAOYSA-N	0	0	196.319	3.292	10	0		AGAERN
CCc1ccccc1NCC1(F)CC1	306179149	345070784	/nfs/dbraw/zinc/07/07/84/345070784.db2.gz	QUEKWZLTORIKLI-UHFFFAOYSA-N	0	0	193.265	3.163	10	0		AGAERN
CC[C@H](F)CNc1c(C)cccc1C	306183466	345074832	/nfs/dbraw/zinc/07/48/32/345074832.db2.gz	YYZMFLWYCMYFIQ-NSHDSACASA-N	0	0	195.281	3.463	10	0		AGAERN
CC[C@@H](F)CNc1c(C)cccc1C	306183244	345074838	/nfs/dbraw/zinc/07/48/38/345074838.db2.gz	YYZMFLWYCMYFIQ-LLVKDONJSA-N	0	0	195.281	3.463	10	0		AGAERN
CCc1cnc(NC2CCCC2)s1	306185377	345075729	/nfs/dbraw/zinc/07/57/29/345075729.db2.gz	RKPUYJPZFQJGCC-UHFFFAOYSA-N	0	0	196.319	3.060	10	0		AGAERN
FCCSc1cc(F)ccc1F	306187169	345077427	/nfs/dbraw/zinc/07/74/27/345077427.db2.gz	AVCARBKPIFMUEB-UHFFFAOYSA-N	0	0	192.205	3.026	10	0		AGAERN
CC1(CNc2ccsc2)CCC1	306189817	345080218	/nfs/dbraw/zinc/08/02/18/345080218.db2.gz	FKANNCHOOQRHCN-UHFFFAOYSA-N	0	0	181.304	3.350	10	0		AGAERN
FC1(CNc2ccc(Cl)cc2)CC1	306190845	345080853	/nfs/dbraw/zinc/08/08/53/345080853.db2.gz	GPRCVPGJINNGFH-UHFFFAOYSA-N	0	0	199.656	3.254	10	0		AGAERN
CC(C)C[C@@H](C)[C@@H]1CCCCC1=O	306193400	345083534	/nfs/dbraw/zinc/08/35/34/345083534.db2.gz	KQYLQTUUMLWSJI-MNOVXSKESA-N	0	0	182.307	3.428	10	0		AGAERN
CNc1cccc(Cl)c1SC	306194605	345083839	/nfs/dbraw/zinc/08/38/39/345083839.db2.gz	ULFXHYFJHLHHGQ-UHFFFAOYSA-N	0	0	187.695	3.104	10	0		AGAERN
C/C=C(/C)CNc1ccc(C)cc1	306197825	345086752	/nfs/dbraw/zinc/08/67/52/345086752.db2.gz	XTLCOKRLUNVRAD-WMZJFQQLSA-N	0	0	175.275	3.373	10	0		AGAERN
CC(C)[C@H](C)[C@H]1CCCC(=O)C1	306200118	345089054	/nfs/dbraw/zinc/08/90/54/345089054.db2.gz	TYMKHJCYMGDYNH-UWVGGRQHSA-N	0	0	168.280	3.038	10	0		AGAERN
CCSc1nc2cc(F)ccc2o1	306200680	345089181	/nfs/dbraw/zinc/08/91/81/345089181.db2.gz	JWUIVQDVXMCJQV-UHFFFAOYSA-N	0	0	197.234	3.079	10	0		AGAERN
CC(C)[C@H](C)[C@@H]1CCCC(=O)C1	306200119	345089403	/nfs/dbraw/zinc/08/94/03/345089403.db2.gz	TYMKHJCYMGDYNH-VHSXEESVSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)[C@@H](C)[C@@H]1CCCC(=O)C1	306200117	345089471	/nfs/dbraw/zinc/08/94/71/345089471.db2.gz	TYMKHJCYMGDYNH-NXEZZACHSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)[C@@H](C)[C@H]1CCCC(=O)C1	306200120	345089485	/nfs/dbraw/zinc/08/94/85/345089485.db2.gz	TYMKHJCYMGDYNH-ZJUUUORDSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1ccc(C2=CCCC2)cc1N	306200838	345090011	/nfs/dbraw/zinc/09/00/11/345090011.db2.gz	PJGZBUXISJHQIA-UHFFFAOYSA-N	0	0	173.259	3.145	10	0		AGAERN
CC1CCC(C(=O)C(C)(F)F)CC1	306205852	345095314	/nfs/dbraw/zinc/09/53/14/345095314.db2.gz	HACXOYWNHYPYAI-UHFFFAOYSA-N	0	0	190.233	3.037	10	0		AGAERN
CCC1(C(=O)C2CCCCC2)CC1	306208450	345097503	/nfs/dbraw/zinc/09/75/03/345097503.db2.gz	HNAYOLYDRKWWBG-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
CCC(C)(C)C(=O)c1cc(C)ns1	306211979	345101780	/nfs/dbraw/zinc/10/17/80/345101780.db2.gz	VFMWTBCYOXUCQC-UHFFFAOYSA-N	0	0	197.303	3.070	10	0		AGAERN
CCNc1nc([C@H]2C[C@@H]2C)c(C)s1	306213219	345103266	/nfs/dbraw/zinc/10/32/66/345103266.db2.gz	LLLAVXZOWZJZNZ-XPUUQOCRSA-N	0	0	196.319	3.007	10	0		AGAERN
CCNc1nc([C@@H]2C[C@@H]2C)c(C)s1	306213217	345103396	/nfs/dbraw/zinc/10/33/96/345103396.db2.gz	LLLAVXZOWZJZNZ-POYBYMJQSA-N	0	0	196.319	3.007	10	0		AGAERN
CCNc1nc([C@@H]2C[C@H]2C)c(C)s1	306213216	345103416	/nfs/dbraw/zinc/10/34/16/345103416.db2.gz	LLLAVXZOWZJZNZ-HTRCEHHLSA-N	0	0	196.319	3.007	10	0		AGAERN
Nc1csc2c1C1(CCCC1)CC2	306213163	345103424	/nfs/dbraw/zinc/10/34/24/345103424.db2.gz	LDJWVXNRUHEQCU-UHFFFAOYSA-N	0	0	193.315	3.088	10	0		AGAERN
CCNc1nc([C@H]2C[C@H]2C)c(C)s1	306213218	345103431	/nfs/dbraw/zinc/10/34/31/345103431.db2.gz	LLLAVXZOWZJZNZ-SVRRBLITSA-N	0	0	196.319	3.007	10	0		AGAERN
CCC(=O)[C@@H]1CCCC12CCCC2	306214085	345104652	/nfs/dbraw/zinc/10/46/52/345104652.db2.gz	YDDATSSTFXPJLM-JTQLQIEISA-N	0	0	180.291	3.326	10	0		AGAERN
CCC(=O)[C@H]1CCCC12CCCC2	306214086	345104781	/nfs/dbraw/zinc/10/47/81/345104781.db2.gz	YDDATSSTFXPJLM-SNVBAGLBSA-N	0	0	180.291	3.326	10	0		AGAERN
CC(C)(F)c1csc(CC2CC2)n1	306215490	345106357	/nfs/dbraw/zinc/10/63/57/345106357.db2.gz	HZECCPLPVVZVSR-UHFFFAOYSA-N	0	0	199.294	3.300	10	0		AGAERN
Cc1csc(C2(C)CCCC2)n1	306217550	345109489	/nfs/dbraw/zinc/10/94/89/345109489.db2.gz	DHXQPVLZMOARED-UHFFFAOYSA-N	0	0	181.304	3.283	10	0		AGAERN
S=c1cnc(C2=CCCCC2)c[nH]1	306218778	345110746	/nfs/dbraw/zinc/11/07/46/345110746.db2.gz	RTFIHPFQPTUDCD-UHFFFAOYSA-N	0	0	192.287	3.097	10	0		AGAERN
CCCCNc1c(C)ccc(O)c1C	306220897	345113704	/nfs/dbraw/zinc/11/37/04/345113704.db2.gz	IOPJEZZNCJDMIM-UHFFFAOYSA-N	0	0	193.290	3.221	10	0		AGAERN
CC1(C[C@@H]2CCCC2=O)CCCC1	306222373	345115255	/nfs/dbraw/zinc/11/52/55/345115255.db2.gz	WPJFNENKOFWEJN-JTQLQIEISA-N	0	0	180.291	3.326	10	0		AGAERN
CC[C@@H](F)CNc1ccc(C)cc1C	306224553	345117581	/nfs/dbraw/zinc/11/75/81/345117581.db2.gz	UHKYEIOIGHVRDX-LLVKDONJSA-N	0	0	195.281	3.463	10	0		AGAERN
CC[C@H](F)CNc1ccc(C)cc1C	306224555	345117714	/nfs/dbraw/zinc/11/77/14/345117714.db2.gz	UHKYEIOIGHVRDX-NSHDSACASA-N	0	0	195.281	3.463	10	0		AGAERN
CC[C@@H](C)Oc1cc(F)ccc1F	306227493	345120567	/nfs/dbraw/zinc/12/05/67/345120567.db2.gz	HLWBWEUGLKYCAF-SSDOTTSWSA-N	0	0	186.201	3.142	10	0		AGAERN
Cc1cscc1-c1cscn1	306227468	345120581	/nfs/dbraw/zinc/12/05/81/345120581.db2.gz	WSUWENMITCZRJW-UHFFFAOYSA-N	0	0	181.285	3.180	10	0		AGAERN
CC1(c2nccs2)CCCCC1	306236341	345129420	/nfs/dbraw/zinc/12/94/20/345129420.db2.gz	OCULXLSWNSEXFB-UHFFFAOYSA-N	0	0	181.304	3.365	10	0		AGAERN
Cc1c(C2=CCCC2)nc[nH]c1=S	306237625	345130636	/nfs/dbraw/zinc/13/06/36/345130636.db2.gz	QKRZTUOYUHQOFJ-UHFFFAOYSA-N	0	0	192.287	3.015	10	0		AGAERN
c1cc(N[C@@H]2CCC[C@@H]3C[C@@H]32)cs1	306238303	345130984	/nfs/dbraw/zinc/13/09/84/345130984.db2.gz	IPFRESHFLONGBS-DVVUODLYSA-N	0	0	193.315	3.349	10	0		AGAERN
c1cc(N[C@@H]2CCC[C@H]3C[C@H]32)cs1	306238308	345131203	/nfs/dbraw/zinc/13/12/03/345131203.db2.gz	IPFRESHFLONGBS-JMJZKYOTSA-N	0	0	193.315	3.349	10	0		AGAERN
C[C@@H]1OCC[C@H]1S[C@@H]1C=CCCC1	306243137	345134744	/nfs/dbraw/zinc/13/47/44/345134744.db2.gz	AMPAJOLCPDTTHU-HBNTYKKESA-N	0	0	198.331	3.006	10	0		AGAERN
C[C@@H]1OCC[C@@H]1S[C@@H]1C=CCCC1	306243133	345134955	/nfs/dbraw/zinc/13/49/55/345134955.db2.gz	AMPAJOLCPDTTHU-AXFHLTTASA-N	0	0	198.331	3.006	10	0		AGAERN
C[C@@H]1OCC[C@H]1S[C@H]1C=CCCC1	306243135	345134972	/nfs/dbraw/zinc/13/49/72/345134972.db2.gz	AMPAJOLCPDTTHU-GARJFASQSA-N	0	0	198.331	3.006	10	0		AGAERN
C[C@@H]1OCC[C@@H]1S[C@H]1C=CCCC1	306243134	345135071	/nfs/dbraw/zinc/13/50/71/345135071.db2.gz	AMPAJOLCPDTTHU-DCAQKATOSA-N	0	0	198.331	3.006	10	0		AGAERN
CC[C@@H](C)Oc1ccc(F)c(F)c1	306246171	345138267	/nfs/dbraw/zinc/13/82/67/345138267.db2.gz	VLESQBZQKKLBNU-SSDOTTSWSA-N	0	0	186.201	3.142	10	0		AGAERN
CC[C@H](C)Oc1ccc(F)c(F)c1	306246174	345138320	/nfs/dbraw/zinc/13/83/20/345138320.db2.gz	VLESQBZQKKLBNU-ZETCQYMHSA-N	0	0	186.201	3.142	10	0		AGAERN
C/C=C/c1ccc(NCC)cc1	306247241	345138929	/nfs/dbraw/zinc/13/89/29/345138929.db2.gz	BXRBKYYQBKNPDO-HWKANZROSA-N	0	0	161.248	3.152	10	0		AGAERN
CC(C)[C@@H](C)[C@](C)(O)C1CCCC1	306250698	345142319	/nfs/dbraw/zinc/14/23/19/345142319.db2.gz	YRRMXLJHOATODC-PWSUYJOCSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@H](C)[C@](C)(O)C1CCCC1	306250696	345142454	/nfs/dbraw/zinc/14/24/54/345142454.db2.gz	YRRMXLJHOATODC-JQWIXIFHSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@@H](C)[C@@](C)(O)C1CCCC1	306250699	345142662	/nfs/dbraw/zinc/14/26/62/345142662.db2.gz	YRRMXLJHOATODC-ZYHUDNBSSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@H](C)[C@@](C)(O)C1CCCC1	306250695	345142692	/nfs/dbraw/zinc/14/26/92/345142692.db2.gz	YRRMXLJHOATODC-CMPLNLGQSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@H](C)Oc1ccc(Cl)nc1	306251342	345143033	/nfs/dbraw/zinc/14/30/33/345143033.db2.gz	ZZHDINMEWFFHHI-QMMMGPOBSA-N	0	0	199.681	3.158	10	0		AGAERN
CC(C)[C@@H](C)Oc1ccc(Cl)nc1	306251336	345143102	/nfs/dbraw/zinc/14/31/02/345143102.db2.gz	ZZHDINMEWFFHHI-MRVPVSSYSA-N	0	0	199.681	3.158	10	0		AGAERN
O=Cc1cc2c(F)ccc(Cl)c2o1	306251948	345143832	/nfs/dbraw/zinc/14/38/32/345143832.db2.gz	LWWPYMJRIWUEMH-UHFFFAOYSA-N	0	0	198.580	3.038	10	0		AGAERN
Cc1nc([C@H](C)C(C)(C)C)c(N)s1	306252867	345144155	/nfs/dbraw/zinc/14/41/55/345144155.db2.gz	SHFXQHNRRIUGBG-LURJTMIESA-N	0	0	198.335	3.183	10	0		AGAERN
Cc1nc([C@@H](C)C(C)(C)C)c(N)s1	306252868	345144299	/nfs/dbraw/zinc/14/42/99/345144299.db2.gz	SHFXQHNRRIUGBG-ZCFIWIBFSA-N	0	0	198.335	3.183	10	0		AGAERN
C/C=C/CSC1CCCC1	306252357	345144347	/nfs/dbraw/zinc/14/43/47/345144347.db2.gz	ADLLUQIVBCVIOO-NSCUHMNNSA-N	0	0	156.294	3.238	10	0		AGAERN
Cc1csc(C(=O)C2CCC2)c1	306254342	345146024	/nfs/dbraw/zinc/14/60/24/345146024.db2.gz	LNXBZHNJPXLIOC-UHFFFAOYSA-N	0	0	180.272	3.039	10	0		AGAERN
Nc1cc(Cl)ccc1C1=CCCC1	306256848	345148090	/nfs/dbraw/zinc/14/80/90/345148090.db2.gz	ZRLZYCOJCIWFSC-UHFFFAOYSA-N	0	0	193.677	3.490	10	0		AGAERN
Nc1ccc(C2=CCCC2)c(Cl)c1	306258608	345149255	/nfs/dbraw/zinc/14/92/55/345149255.db2.gz	SBGIFPACTDKGCT-UHFFFAOYSA-N	0	0	193.677	3.490	10	0		AGAERN
CC(C)[C@H](C)c1cc(Cl)cnc1N	306262060	345152456	/nfs/dbraw/zinc/15/24/56/345152456.db2.gz	XXVKTCAGWQGUSC-ZETCQYMHSA-N	0	0	198.697	3.077	10	0		AGAERN
CC(C)[C@@H](C)c1cc(Cl)cnc1N	306262057	345152482	/nfs/dbraw/zinc/15/24/82/345152482.db2.gz	XXVKTCAGWQGUSC-SSDOTTSWSA-N	0	0	198.697	3.077	10	0		AGAERN
Cc1cc(C)c(NC(C)C)c(F)c1	306262913	345153299	/nfs/dbraw/zinc/15/32/99/345153299.db2.gz	MPBVYVAFBHYBSY-UHFFFAOYSA-N	0	0	181.254	3.263	10	0		AGAERN
Cc1cccc(Cl)c1C(=O)C1CC1	306268497	345157253	/nfs/dbraw/zinc/15/72/53/345157253.db2.gz	JTASRFHGSOQDAL-UHFFFAOYSA-N	0	0	194.661	3.241	10	0		AGAERN
CC(C)=CCSC1CCC1	306280138	345165838	/nfs/dbraw/zinc/16/58/38/345165838.db2.gz	AWPHTTUUONPRLS-UHFFFAOYSA-N	0	0	156.294	3.238	10	0		AGAERN
Cc1cc(O)ccc1C1=CCCC1	306281516	345167183	/nfs/dbraw/zinc/16/71/83/345167183.db2.gz	JROBREQVLSPXTE-UHFFFAOYSA-N	0	0	174.243	3.268	10	0		AGAERN
S=c1[nH]ccnc1C1=CCCCC1	306284772	345168689	/nfs/dbraw/zinc/16/86/89/345168689.db2.gz	CABAONVMIQLLNH-UHFFFAOYSA-N	0	0	192.287	3.097	10	0		AGAERN
CC(C)c1cnc(N[C@H]2C[C@@H]2C)s1	306285816	345169620	/nfs/dbraw/zinc/16/96/20/345169620.db2.gz	KGAVLDYTVCEAOA-YUMQZZPRSA-N	0	0	196.319	3.087	10	0		AGAERN
CC(C)c1cnc(N[C@H]2C[C@H]2C)s1	306285815	345169723	/nfs/dbraw/zinc/16/97/23/345169723.db2.gz	KGAVLDYTVCEAOA-SFYZADRCSA-N	0	0	196.319	3.087	10	0		AGAERN
CC(C)c1cnc(N[C@@H]2C[C@@H]2C)s1	306285814	345169900	/nfs/dbraw/zinc/16/99/00/345169900.db2.gz	KGAVLDYTVCEAOA-JGVFFNPUSA-N	0	0	196.319	3.087	10	0		AGAERN
CC(C)c1cnc(N[C@@H]2C[C@H]2C)s1	306285813	345169902	/nfs/dbraw/zinc/16/99/02/345169902.db2.gz	KGAVLDYTVCEAOA-HTQZYQBOSA-N	0	0	196.319	3.087	10	0		AGAERN
C[C@@H]1CCNc2c(F)ccc(Cl)c21	306294393	345176028	/nfs/dbraw/zinc/17/60/28/345176028.db2.gz	VXYGGBFLWUBLAH-ZCFIWIBFSA-N	0	0	199.656	3.398	10	0		AGAERN
CC(C)[C@H](C)[C@@]1(C)CCC(=O)C1	306297561	345178401	/nfs/dbraw/zinc/17/84/01/345178401.db2.gz	CQFKXYQZRQDZEP-ONGXEEELSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)[C@@H](C)[C@@]1(C)CCC(=O)C1	306297541	345178604	/nfs/dbraw/zinc/17/86/04/345178604.db2.gz	CQFKXYQZRQDZEP-KOLCDFICSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)[C@H](C)[C@]1(C)CCC(=O)C1	306297531	345178626	/nfs/dbraw/zinc/17/86/26/345178626.db2.gz	CQFKXYQZRQDZEP-GXSJLCMTSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)[C@@H](C)[C@]1(C)CCC(=O)C1	306297551	345178667	/nfs/dbraw/zinc/17/86/67/345178667.db2.gz	CQFKXYQZRQDZEP-MWLCHTKSSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCc1cc(Cl)c(N)cc1C	306299408	345179510	/nfs/dbraw/zinc/17/95/10/345179510.db2.gz	RDWMENXYQSWKIM-UHFFFAOYSA-N	0	0	183.682	3.183	10	0		AGAERN
CC(C)(C)CSCC1CC1	306302379	345182230	/nfs/dbraw/zinc/18/22/30/345182230.db2.gz	BYCGBMWJWCWLEE-UHFFFAOYSA-N	0	0	158.310	3.176	10	0		AGAERN
c1cc2ccc(NCC3CC3)cc2o1	306304102	345184261	/nfs/dbraw/zinc/18/42/61/345184261.db2.gz	HVIXCMHJIUOVIA-UHFFFAOYSA-N	0	0	187.242	3.255	10	0		AGAERN
CCc1nc(-c2ccco2)sc1C	306305583	345185491	/nfs/dbraw/zinc/18/54/91/345185491.db2.gz	DTSRRQPSRRZEPP-UHFFFAOYSA-N	0	0	193.271	3.274	10	0		AGAERN
CC[C@](C)(O)c1ccsc1Cl	306309944	345189443	/nfs/dbraw/zinc/18/94/43/345189443.db2.gz	LVHUYGCBMOPVIE-QMMMGPOBSA-N	0	0	190.695	3.019	10	0		AGAERN
CC[C@@](C)(O)c1ccsc1Cl	306309943	345189629	/nfs/dbraw/zinc/18/96/29/345189629.db2.gz	LVHUYGCBMOPVIE-MRVPVSSYSA-N	0	0	190.695	3.019	10	0		AGAERN
Cc1ccnc(CSC(C)(C)C)c1	306318024	345196475	/nfs/dbraw/zinc/19/64/75/345196475.db2.gz	RXYAWRAWXWUXRH-UHFFFAOYSA-N	0	0	195.331	3.422	10	0		AGAERN
CCC(C)(C)C(=O)c1[nH]cc(C)c1C	306319997	345197766	/nfs/dbraw/zinc/19/77/66/345197766.db2.gz	BMJZSMVANPSEEM-UHFFFAOYSA-N	0	0	193.290	3.250	10	0		AGAERN
CSc1c(C)cc(F)cc1C	306324972	345202024	/nfs/dbraw/zinc/20/20/24/345202024.db2.gz	PJPWLFFSDPCVQC-UHFFFAOYSA-N	0	0	170.252	3.164	10	0		AGAERN
Oc1cc(F)cc(C2=CCCC2)c1	306325809	345203489	/nfs/dbraw/zinc/20/34/89/345203489.db2.gz	SBDNSHWVHZMMKL-UHFFFAOYSA-N	0	0	178.206	3.099	10	0		AGAERN
CC[C@H](Nc1cccnc1)C(C)(C)C	306327501	345204580	/nfs/dbraw/zinc/20/45/80/345204580.db2.gz	XTUCSWCOHYJZKV-NSHDSACASA-N	0	0	192.306	3.318	10	0		AGAERN
CC[C@@H](Nc1cccnc1)C(C)(C)C	306327498	345204963	/nfs/dbraw/zinc/20/49/63/345204963.db2.gz	XTUCSWCOHYJZKV-LLVKDONJSA-N	0	0	192.306	3.318	10	0		AGAERN
Cc1ccc(CSC(C)(C)C)nc1	306328921	345206200	/nfs/dbraw/zinc/20/62/00/345206200.db2.gz	YQMWKPAPWXABAS-UHFFFAOYSA-N	0	0	195.331	3.422	10	0		AGAERN
C[C@H]1CCNc2cccc(F)c2S1	306328624	345206242	/nfs/dbraw/zinc/20/62/42/345206242.db2.gz	LSOMHPMFLJHACK-ZETCQYMHSA-N	0	0	197.278	3.122	10	0		AGAERN
CC[C@@H](F)CNc1cc(C)ccc1C	306331557	345208516	/nfs/dbraw/zinc/20/85/16/345208516.db2.gz	FYJANRZYFSKDPI-LLVKDONJSA-N	0	0	195.281	3.463	10	0		AGAERN
Cc1ccc(NCC2(F)CC2)cc1F	306332484	345209322	/nfs/dbraw/zinc/20/93/22/345209322.db2.gz	HELONMOJLIFZIT-UHFFFAOYSA-N	0	0	197.228	3.048	10	0		AGAERN
C[C@H]([C@H](O)C1CCCC1)C(C)(C)C	306335251	345211076	/nfs/dbraw/zinc/21/10/76/345211076.db2.gz	GJQCZXMYSHEKLE-KOLCDFICSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@H]([C@@H](O)C1CCCC1)C(C)(C)C	306335257	345211252	/nfs/dbraw/zinc/21/12/52/345211252.db2.gz	GJQCZXMYSHEKLE-MWLCHTKSSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@@H]([C@H](O)C1CCCC1)C(C)(C)C	306335259	345211325	/nfs/dbraw/zinc/21/13/25/345211325.db2.gz	GJQCZXMYSHEKLE-ONGXEEELSA-N	0	0	184.323	3.220	10	0		AGAERN
CNc1ccc(Cl)c(C(F)F)c1	306340693	345215427	/nfs/dbraw/zinc/21/54/27/345215427.db2.gz	WRLITSRJUVVAFK-UHFFFAOYSA-N	0	0	191.608	3.319	10	0		AGAERN
CC1(C)CCC[C@H]1Sc1ncc[nH]1	306346305	345220072	/nfs/dbraw/zinc/22/00/72/345220072.db2.gz	FNPJHHCHVJOHTI-MRVPVSSYSA-N	0	0	196.319	3.081	10	0		AGAERN
CC1(C)CCC[C@@H]1Sc1ncc[nH]1	306346306	345220329	/nfs/dbraw/zinc/22/03/29/345220329.db2.gz	FNPJHHCHVJOHTI-QMMMGPOBSA-N	0	0	196.319	3.081	10	0		AGAERN
CCNc1ccc(F)c(C2CC2)c1	306349217	345223039	/nfs/dbraw/zinc/22/30/39/345223039.db2.gz	UTWXIFJUWNXIRN-UHFFFAOYSA-N	0	0	179.238	3.135	10	0		AGAERN
CC(=O)[C@H]1CCCC12CCCCC2	306355850	345227543	/nfs/dbraw/zinc/22/75/43/345227543.db2.gz	SFJJIFFJWHSIOG-LLVKDONJSA-N	0	0	180.291	3.326	10	0		AGAERN
CC(=O)[C@@H]1CCCC12CCCCC2	306355851	345227609	/nfs/dbraw/zinc/22/76/09/345227609.db2.gz	SFJJIFFJWHSIOG-NSHDSACASA-N	0	0	180.291	3.326	10	0		AGAERN
Fc1ccccc1NCC=C1CCC1	306357757	345228983	/nfs/dbraw/zinc/22/89/83/345228983.db2.gz	WLNIWCSXOOJROQ-UHFFFAOYSA-N	0	0	191.249	3.348	10	0		AGAERN
CCNc1ccc(C2CC2)c(C)c1	306358738	345229955	/nfs/dbraw/zinc/22/99/55/345229955.db2.gz	KQTVXFXJODYPIR-UHFFFAOYSA-N	0	0	175.275	3.304	10	0		AGAERN
CCNc1nc(C2CCC2)c(C)s1	306364677	345235030	/nfs/dbraw/zinc/23/50/30/345235030.db2.gz	AOWCGJQIMVDCIR-UHFFFAOYSA-N	0	0	196.319	3.151	10	0		AGAERN
Cc1ccc([C@@]2(O)CCC2(C)C)cc1	306365860	345235464	/nfs/dbraw/zinc/23/54/64/345235464.db2.gz	ATUZBDUPCKZBGN-ZDUSSCGKSA-N	0	0	190.286	3.003	10	0		AGAERN
Cc1ccc([C@]2(O)CCC2(C)C)cc1	306365858	345235657	/nfs/dbraw/zinc/23/56/57/345235657.db2.gz	ATUZBDUPCKZBGN-CYBMUJFWSA-N	0	0	190.286	3.003	10	0		AGAERN
CC1(CNc2ccccc2)CCC1	306367560	345236873	/nfs/dbraw/zinc/23/68/73/345236873.db2.gz	HGRYNKQFIOHVTR-UHFFFAOYSA-N	0	0	175.275	3.289	10	0		AGAERN
CCCNc1cccc(Cl)c1OC	306369914	345238475	/nfs/dbraw/zinc/23/84/75/345238475.db2.gz	BZHRMHQAYIMKBM-UHFFFAOYSA-N	0	0	199.681	3.171	10	0		AGAERN
CC(C)C(=O)c1ccsc1Cl	306377585	345244403	/nfs/dbraw/zinc/24/44/03/345244403.db2.gz	XEVUVCAYQYYODO-UHFFFAOYSA-N	0	0	188.679	3.240	10	0		AGAERN
Cc1c(Cl)ccc(N)c1NC(C)C	306379775	345246085	/nfs/dbraw/zinc/24/60/85/345246085.db2.gz	IGJWXMCPAWWZOP-UHFFFAOYSA-N	0	0	198.697	3.051	10	0		AGAERN
CC(=O)c1cccc(/C=C/Cl)c1	306385877	345250902	/nfs/dbraw/zinc/25/09/02/345250902.db2.gz	XKAUOCPADNNYSJ-AATRIKPKSA-N	0	0	180.634	3.099	10	0		AGAERN
CCCC(=O)c1ccsc1Cl	306388110	345252141	/nfs/dbraw/zinc/25/21/41/345252141.db2.gz	NFFDHUJKLDYJMH-UHFFFAOYSA-N	0	0	188.679	3.384	10	0		AGAERN
Nc1ccc(Cl)cc1C1=CCCC1	306389009	345252430	/nfs/dbraw/zinc/25/24/30/345252430.db2.gz	PTOQCDJLDUTJTM-UHFFFAOYSA-N	0	0	193.677	3.490	10	0		AGAERN
CC[C@@H]1CNc2cccc(F)c2S1	306390847	345254084	/nfs/dbraw/zinc/25/40/84/345254084.db2.gz	XQXQIVQXURNLRE-SSDOTTSWSA-N	0	0	197.278	3.122	10	0		AGAERN
CC[C@H]1CNc2cccc(F)c2S1	306390848	345254129	/nfs/dbraw/zinc/25/41/29/345254129.db2.gz	XQXQIVQXURNLRE-ZETCQYMHSA-N	0	0	197.278	3.122	10	0		AGAERN
Cc1cccc(S[C@@H]2CCCO2)c1	306392447	345255226	/nfs/dbraw/zinc/25/52/26/345255226.db2.gz	DOMQPMIARVRVPC-LLVKDONJSA-N	0	0	194.299	3.224	10	0		AGAERN
Cc1cccc(S[C@H]2CCCO2)c1	306392450	345255321	/nfs/dbraw/zinc/25/53/21/345255321.db2.gz	DOMQPMIARVRVPC-NSHDSACASA-N	0	0	194.299	3.224	10	0		AGAERN
CC1CCC(C2=NC(=O)CS2)CC1	306397325	345258797	/nfs/dbraw/zinc/25/87/97/345258797.db2.gz	VVRSDXJWCSUICK-UHFFFAOYSA-N	0	0	197.303	3.142	10	0		AGAERN
Cc1nnc(Cl)cc1CC(C)(C)C	306402459	345262798	/nfs/dbraw/zinc/26/27/98/345262798.db2.gz	RCPVQSDSYDLDNX-UHFFFAOYSA-N	0	0	198.697	3.027	10	0		AGAERN
Fc1ccc(S[C@H]2CCCO2)cc1	306415450	345273684	/nfs/dbraw/zinc/27/36/84/345273684.db2.gz	PTYBZNLVNIROTO-JTQLQIEISA-N	0	0	198.262	3.054	10	0		AGAERN
Fc1ccc(S[C@@H]2CCCO2)cc1	306415451	345274044	/nfs/dbraw/zinc/27/40/44/345274044.db2.gz	PTYBZNLVNIROTO-SNVBAGLBSA-N	0	0	198.262	3.054	10	0		AGAERN
Cc1ccc(Cl)c(C(=O)C(C)C)c1	306421314	345278604	/nfs/dbraw/zinc/27/86/04/345278604.db2.gz	ZBDZQNYSDAYVOJ-UHFFFAOYSA-N	0	0	196.677	3.487	10	0		AGAERN
CCc1ccccc1[C@H](O)C1(C)CC1	306424832	345281695	/nfs/dbraw/zinc/28/16/95/345281695.db2.gz	GNPITMJWVGADMD-LBPRGKRZSA-N	0	0	190.286	3.083	10	0		AGAERN
CCc1ccccc1[C@@H](O)C1(C)CC1	306424831	345281894	/nfs/dbraw/zinc/28/18/94/345281894.db2.gz	GNPITMJWVGADMD-GFCCVEGCSA-N	0	0	190.286	3.083	10	0		AGAERN
C(CSC1CCOCC1)=C1CCC1	306427548	345284638	/nfs/dbraw/zinc/28/46/38/345284638.db2.gz	LCRKWGDQVIRQEZ-UHFFFAOYSA-N	0	0	198.331	3.009	10	0		AGAERN
Fc1cccc(NCC=C2CCC2)c1	306432777	345292260	/nfs/dbraw/zinc/29/22/60/345292260.db2.gz	UPIXSOPGRWSHQZ-UHFFFAOYSA-N	0	0	191.249	3.348	10	0		AGAERN
C(COc1ccccc1)=C1CCC1	306433830	345293272	/nfs/dbraw/zinc/29/32/72/345293272.db2.gz	YAOQHILWWJSROO-UHFFFAOYSA-N	0	0	174.243	3.176	10	0		AGAERN
CC[C@@H](C)CSCCCF	306435406	345295667	/nfs/dbraw/zinc/29/56/67/345295667.db2.gz	CWAKUMYIKAYOLN-MRVPVSSYSA-N	0	0	164.289	3.125	10	0		AGAERN
CC[C@H](C)CSCCCF	306435408	345295803	/nfs/dbraw/zinc/29/58/03/345295803.db2.gz	CWAKUMYIKAYOLN-QMMMGPOBSA-N	0	0	164.289	3.125	10	0		AGAERN
FC(F)(F)CSC1CCCC1	306439267	345299611	/nfs/dbraw/zinc/29/96/11/345299611.db2.gz	HATHUVBSMQKNTR-UHFFFAOYSA-N	0	0	184.226	3.225	10	0		AGAERN
C[C@@H]1C[C@H](Nc2ccccc2)[C@@H]1C	306440315	345300371	/nfs/dbraw/zinc/30/03/71/345300371.db2.gz	HRSLHDZZVVKAIJ-FOGDFJRCSA-N	0	0	175.275	3.143	10	0		AGAERN
CC1(C)CC[C@@H]1Nc1ccsc1	306440121	345300395	/nfs/dbraw/zinc/30/03/95/345300395.db2.gz	KDLZADFXTBYCJF-VIFPVBQESA-N	0	0	181.304	3.349	10	0		AGAERN
CC1(C)CC[C@H]1Nc1ccsc1	306440119	345300413	/nfs/dbraw/zinc/30/04/13/345300413.db2.gz	KDLZADFXTBYCJF-SECBINFHSA-N	0	0	181.304	3.349	10	0		AGAERN
C[C@H]1[C@H](C)C[C@H]1Nc1ccccc1	306440317	345300427	/nfs/dbraw/zinc/30/04/27/345300427.db2.gz	HRSLHDZZVVKAIJ-JFGNBEQYSA-N	0	0	175.275	3.143	10	0		AGAERN
C[C@@H]1C[C@@H](Nc2ccccc2)[C@@H]1C	306440313	345300581	/nfs/dbraw/zinc/30/05/81/345300581.db2.gz	HRSLHDZZVVKAIJ-CKYFFXLPSA-N	0	0	175.275	3.143	10	0		AGAERN
C[C@@H]1[C@@H](Nc2ccccc2)C[C@H]1C	306440318	345300688	/nfs/dbraw/zinc/30/06/88/345300688.db2.gz	HRSLHDZZVVKAIJ-SCVCMEIPSA-N	0	0	175.275	3.143	10	0		AGAERN
CCCc1nc(C2CC2)c(C)s1	306447939	345307905	/nfs/dbraw/zinc/30/79/05/345307905.db2.gz	GQIQNRCZAVWNEA-UHFFFAOYSA-N	0	0	181.304	3.281	10	0		AGAERN
FC1(CNc2ccccc2Cl)CC1	306450636	345311071	/nfs/dbraw/zinc/31/10/71/345311071.db2.gz	ZHKKFUSTOXKLDG-UHFFFAOYSA-N	0	0	199.656	3.254	10	0		AGAERN
CCC1(C(=O)[C@H]2CCCCS2)CC1	306451542	345312110	/nfs/dbraw/zinc/31/21/10/345312110.db2.gz	CCCUVWVTUGWICE-SECBINFHSA-N	0	0	198.331	3.031	10	0		AGAERN
CCC1(C(=O)[C@@H]2CCCCS2)CC1	306451543	345312275	/nfs/dbraw/zinc/31/22/75/345312275.db2.gz	CCCUVWVTUGWICE-VIFPVBQESA-N	0	0	198.331	3.031	10	0		AGAERN
Cc1cc([C@@H](O)C2(C)CC2)c(C)s1	306454922	345314421	/nfs/dbraw/zinc/31/44/21/345314421.db2.gz	MZKMPESZCHXMMN-SNVBAGLBSA-N	0	0	196.315	3.198	10	0		AGAERN
Cc1cc([C@H](O)C2(C)CC2)c(C)s1	306454920	345314641	/nfs/dbraw/zinc/31/46/41/345314641.db2.gz	MZKMPESZCHXMMN-JTQLQIEISA-N	0	0	196.315	3.198	10	0		AGAERN
Cc1ccc(CCC(C)C)cc1N	306455830	345315262	/nfs/dbraw/zinc/31/52/62/345315262.db2.gz	PMGKHPUAWLOIIR-UHFFFAOYSA-N	0	0	177.291	3.166	10	0		AGAERN
FCCSc1ccc(F)cc1F	306457630	345317478	/nfs/dbraw/zinc/31/74/78/345317478.db2.gz	BGXNRFFZQCCBLH-UHFFFAOYSA-N	0	0	192.205	3.026	10	0		AGAERN
CSC[C@@H](C)CC(C)C	306463198	345323227	/nfs/dbraw/zinc/32/32/27/345323227.db2.gz	IFNARWFRZXFQSC-QMMMGPOBSA-N	0	0	146.299	3.032	10	0		AGAERN
CSC[C@H](C)CC(C)C	306463197	345323391	/nfs/dbraw/zinc/32/33/91/345323391.db2.gz	IFNARWFRZXFQSC-MRVPVSSYSA-N	0	0	146.299	3.032	10	0		AGAERN
Cc1cc(-c2cscn2)cs1	306466634	345327398	/nfs/dbraw/zinc/32/73/98/345327398.db2.gz	PMNBNDHDJUWBSR-UHFFFAOYSA-N	0	0	181.285	3.180	10	0		AGAERN
Cc1nc(C2=CCCC2)cc(=S)[nH]1	306469359	345331629	/nfs/dbraw/zinc/33/16/29/345331629.db2.gz	PLRLKLZLBKYHIU-UHFFFAOYSA-N	0	0	192.287	3.015	10	0		AGAERN
Cc1ccccc1S[C@@H]1CCCO1	306469870	345332985	/nfs/dbraw/zinc/33/29/85/345332985.db2.gz	PXKFBBPVQPJNEN-LLVKDONJSA-N	0	0	194.299	3.224	10	0		AGAERN
C[C@H]1CCC[C@H](C2=NC(=O)CS2)C1	306476061	345341320	/nfs/dbraw/zinc/34/13/20/345341320.db2.gz	YIUPLYWZKFMGDX-YUMQZZPRSA-N	0	0	197.303	3.142	10	0		AGAERN
C[C@H]1CCC[C@@H](C2=NC(=O)CS2)C1	306476059	345341608	/nfs/dbraw/zinc/34/16/08/345341608.db2.gz	YIUPLYWZKFMGDX-JGVFFNPUSA-N	0	0	197.303	3.142	10	0		AGAERN
C[C@@H]1CCC[C@@H](C2=NC(=O)CS2)C1	306476058	345341708	/nfs/dbraw/zinc/34/17/08/345341708.db2.gz	YIUPLYWZKFMGDX-HTQZYQBOSA-N	0	0	197.303	3.142	10	0		AGAERN
C[C@@H]1CCC[C@H](C2=NC(=O)CS2)C1	306476060	345341739	/nfs/dbraw/zinc/34/17/39/345341739.db2.gz	YIUPLYWZKFMGDX-SFYZADRCSA-N	0	0	197.303	3.142	10	0		AGAERN
Cc1ccc([C@@H](O)CC2(C)CCC2)o1	306476533	345342153	/nfs/dbraw/zinc/34/21/53/345342153.db2.gz	YGJDUZKYBDFERY-JTQLQIEISA-N	0	0	194.274	3.202	10	0		AGAERN
Cc1ccc([C@H](O)CC2(C)CCC2)o1	306476534	345342357	/nfs/dbraw/zinc/34/23/57/345342357.db2.gz	YGJDUZKYBDFERY-SNVBAGLBSA-N	0	0	194.274	3.202	10	0		AGAERN
CC1(C[C@@H](O)C(C)(C)C)CCCC1	306478757	345345414	/nfs/dbraw/zinc/34/54/14/345345414.db2.gz	LORKYAOUTQFBJQ-SNVBAGLBSA-N	0	0	184.323	3.364	10	0		AGAERN
C=Cc1cscc1Br	306478922	345345592	/nfs/dbraw/zinc/34/55/92/345345592.db2.gz	DRLTYPCQVIMNMY-UHFFFAOYSA-N	0	0	189.077	3.154	10	0		AGAERN
CC1(C[C@H](O)C(C)(C)C)CCCC1	306478755	345345660	/nfs/dbraw/zinc/34/56/60/345345660.db2.gz	LORKYAOUTQFBJQ-JTQLQIEISA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(CC)SCCSC	306480561	345348816	/nfs/dbraw/zinc/34/88/16/345348816.db2.gz	IWQDJVVJNWMYIU-UHFFFAOYSA-N	0	0	178.366	3.271	10	0		AGAERN
CCCCNc1csc(Cl)n1	306482119	345350905	/nfs/dbraw/zinc/35/09/05/345350905.db2.gz	GFIBWHPSFQEGHW-UHFFFAOYSA-N	0	0	190.699	3.009	10	0		AGAERN
CC(C)Nc1nc([C@H]2C[C@@H]2C)cs1	306484239	345352714	/nfs/dbraw/zinc/35/27/14/345352714.db2.gz	MISDNPXVJVHULH-YUMQZZPRSA-N	0	0	196.319	3.087	10	0		AGAERN
CC(C)Nc1nc([C@@H]2C[C@@H]2C)cs1	306484237	345352822	/nfs/dbraw/zinc/35/28/22/345352822.db2.gz	MISDNPXVJVHULH-JGVFFNPUSA-N	0	0	196.319	3.087	10	0		AGAERN
CC(C)Nc1nc([C@H]2C[C@H]2C)cs1	306484238	345352884	/nfs/dbraw/zinc/35/28/84/345352884.db2.gz	MISDNPXVJVHULH-SFYZADRCSA-N	0	0	196.319	3.087	10	0		AGAERN
CC(C)Nc1nc([C@@H]2C[C@H]2C)cs1	306484235	345352949	/nfs/dbraw/zinc/35/29/49/345352949.db2.gz	MISDNPXVJVHULH-HTQZYQBOSA-N	0	0	196.319	3.087	10	0		AGAERN
CC1(CC(=O)C2CCC2)CCCC1	306484345	345353352	/nfs/dbraw/zinc/35/33/52/345353352.db2.gz	PXDYRAYHHYFOOS-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
CCON[C@H]1CCCCC12CCCC2	306488237	345358920	/nfs/dbraw/zinc/35/89/20/345358920.db2.gz	JUXCODIQUFARBJ-NSHDSACASA-N	0	0	197.322	3.031	10	0		AGAERN
CCON[C@@H]1CCCCC12CCCC2	306488235	345359214	/nfs/dbraw/zinc/35/92/14/345359214.db2.gz	JUXCODIQUFARBJ-LLVKDONJSA-N	0	0	197.322	3.031	10	0		AGAERN
C=Cc1cc(O)cc(C(F)(F)F)c1	306488525	345359295	/nfs/dbraw/zinc/35/92/95/345359295.db2.gz	VLFMDYHTOHPUDI-UHFFFAOYSA-N	0	0	188.148	3.054	10	0		AGAERN
C[C@@H]1C[C@H]1c1csc(Cl)c1N	306488814	345359366	/nfs/dbraw/zinc/35/93/66/345359366.db2.gz	SGTWEQOCVDUBRC-RFZPGFLSSA-N	0	0	187.695	3.107	10	0		AGAERN
C[C@@H]1C[C@@H]1c1csc(Cl)c1N	306488815	345359560	/nfs/dbraw/zinc/35/95/60/345359560.db2.gz	SGTWEQOCVDUBRC-UHNVWZDZSA-N	0	0	187.695	3.107	10	0		AGAERN
C[C@H]1C[C@@H]1c1csc(Cl)c1N	306488816	345359619	/nfs/dbraw/zinc/35/96/19/345359619.db2.gz	SGTWEQOCVDUBRC-WHFBIAKZSA-N	0	0	187.695	3.107	10	0		AGAERN
Cc1sc(=S)[nH]c1C1CCC1	306489213	345360092	/nfs/dbraw/zinc/36/00/92/345360092.db2.gz	LGNYAULPIICUBG-UHFFFAOYSA-N	0	0	185.317	3.008	10	0		AGAERN
CC(C)(C1CCC1)[C@H](O)c1ccco1	306489441	345360758	/nfs/dbraw/zinc/36/07/58/345360758.db2.gz	LLBSJALMTIHESY-LLVKDONJSA-N	0	0	194.274	3.139	10	0		AGAERN
CC(C)(C1CCC1)[C@@H](O)c1ccco1	306489442	345360766	/nfs/dbraw/zinc/36/07/66/345360766.db2.gz	LLBSJALMTIHESY-NSHDSACASA-N	0	0	194.274	3.139	10	0		AGAERN
CCC1CC(Nc2ccccc2)C1	306491167	345363738	/nfs/dbraw/zinc/36/37/38/345363738.db2.gz	NHPHFVSXDUYSOS-UHFFFAOYSA-N	0	0	175.275	3.287	10	0		AGAERN
Cc1cnc(CSC(C)(C)C)o1	306493153	345366070	/nfs/dbraw/zinc/36/60/70/345366070.db2.gz	SNRJEAZMMFEVDW-UHFFFAOYSA-N	0	0	185.292	3.015	10	0		AGAERN
C[C@H]1CC(C2CCCC2)C[C@H](C)O1	306493343	345366584	/nfs/dbraw/zinc/36/65/84/345366584.db2.gz	YXELTAKVDACSNF-UWVGGRQHSA-N	0	0	182.307	3.380	10	0		AGAERN
C[C@H]1C[C@H](C2CCCC2)C[C@@H](C)O1	306493342	345366602	/nfs/dbraw/zinc/36/66/02/345366602.db2.gz	YXELTAKVDACSNF-PEGIJTEDSA-N	0	0	182.307	3.380	10	0		AGAERN
C[C@@H]1CC(C2CCCC2)C[C@@H](C)O1	306493341	345366727	/nfs/dbraw/zinc/36/67/27/345366727.db2.gz	YXELTAKVDACSNF-NXEZZACHSA-N	0	0	182.307	3.380	10	0		AGAERN
CC1CCC(C[C@H]2CC[C@H](O)C2)CC1	306493852	345367240	/nfs/dbraw/zinc/36/72/40/345367240.db2.gz	SOFHMQNIEYNZCB-TUUUFIMRSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1CCC(C[C@H]2CC[C@@H](O)C2)CC1	306493850	345367257	/nfs/dbraw/zinc/36/72/57/345367257.db2.gz	SOFHMQNIEYNZCB-FIYWTHMPSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1CCC(C[C@@H]2CC[C@@H](O)C2)CC1	306493851	345367348	/nfs/dbraw/zinc/36/73/48/345367348.db2.gz	SOFHMQNIEYNZCB-IFWUJCSASA-N	0	0	196.334	3.364	10	0		AGAERN
CC1CCC(C[C@@H]2CC[C@H](O)C2)CC1	306493854	345367395	/nfs/dbraw/zinc/36/73/95/345367395.db2.gz	SOFHMQNIEYNZCB-TYUFSLCMSA-N	0	0	196.334	3.364	10	0		AGAERN
CSC[C@H]1CCc2ccccc2C1	306495542	345368899	/nfs/dbraw/zinc/36/88/99/345368899.db2.gz	BYLFDCXVORCDPI-JTQLQIEISA-N	0	0	192.327	3.155	10	0		AGAERN
CSC[C@@H]1CCc2ccccc2C1	306495543	345369071	/nfs/dbraw/zinc/36/90/71/345369071.db2.gz	BYLFDCXVORCDPI-SNVBAGLBSA-N	0	0	192.327	3.155	10	0		AGAERN
Cc1ccc(F)c(C(=O)C(C)(C)F)c1	306497262	345371057	/nfs/dbraw/zinc/37/10/57/345371057.db2.gz	AQGHJYNFBDKTJH-UHFFFAOYSA-N	0	0	198.212	3.065	10	0		AGAERN
C[C@@H]1CC[C@@]1(O)CC1(C)CCCC1	306497526	345371570	/nfs/dbraw/zinc/37/15/70/345371570.db2.gz	RWOIFHSOTCGZGX-ZYHUDNBSSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@H]1CC[C@]1(O)CC1(C)CCCC1	306497521	345371633	/nfs/dbraw/zinc/37/16/33/345371633.db2.gz	RWOIFHSOTCGZGX-JQWIXIFHSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@@H]1CC[C@]1(O)CC1(C)CCCC1	306497524	345371776	/nfs/dbraw/zinc/37/17/76/345371776.db2.gz	RWOIFHSOTCGZGX-PWSUYJOCSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1cc(C)cc(C(=O)C(C)(C)F)c1	306503328	345377453	/nfs/dbraw/zinc/37/74/53/345377453.db2.gz	VZKRBVCAAVEHTA-UHFFFAOYSA-N	0	0	194.249	3.234	10	0		AGAERN
CC1(C)CC=C(c2cn[nH]c2)CC1	306508354	345381085	/nfs/dbraw/zinc/38/10/85/345381085.db2.gz	AQKYQJPVFFLFAQ-UHFFFAOYSA-N	0	0	176.263	3.003	10	0		AGAERN
Fc1cccc(S[C@@H]2CCCO2)c1	306513121	345384363	/nfs/dbraw/zinc/38/43/63/345384363.db2.gz	RTMODDRXMVTVQT-SNVBAGLBSA-N	0	0	198.262	3.054	10	0		AGAERN
Fc1cccc(S[C@H]2CCCO2)c1	306513120	345384389	/nfs/dbraw/zinc/38/43/89/345384389.db2.gz	RTMODDRXMVTVQT-JTQLQIEISA-N	0	0	198.262	3.054	10	0		AGAERN
Cc1cn2c(C(C)(C)C)csc2n1	306513554	345384914	/nfs/dbraw/zinc/38/49/14/345384914.db2.gz	SHRQPWVNIOZGSU-UHFFFAOYSA-N	0	0	194.303	3.002	10	0		AGAERN
CCc1ccc(O)c(Cl)c1Cl	306514912	345385699	/nfs/dbraw/zinc/38/56/99/345385699.db2.gz	BNVZMJYPHVZZAS-UHFFFAOYSA-N	0	0	191.057	3.261	10	0		AGAERN
Cc1cc(F)c(Cl)c(OCF)c1	306516051	345387163	/nfs/dbraw/zinc/38/71/63/345387163.db2.gz	ALYPTERSKMJCJK-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
Cc1cc(F)cc(CF)c1Cl	306516193	345387629	/nfs/dbraw/zinc/38/76/29/345387629.db2.gz	BDYHEGXTNWICCQ-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
CCc1scc(N)c1C(C)(C)C	306517262	345387908	/nfs/dbraw/zinc/38/79/08/345387908.db2.gz	FPBMOBMKMTVLAX-UHFFFAOYSA-N	0	0	183.320	3.190	10	0		AGAERN
Cc1cocc1-c1cc(N)ccc1C	306517827	345388629	/nfs/dbraw/zinc/38/86/29/345388629.db2.gz	GFYSJGXWTFWYDT-UHFFFAOYSA-N	0	0	187.242	3.146	10	0		AGAERN
CCC[C@H]1CCc2nc(C)sc2C1	306517342	345388711	/nfs/dbraw/zinc/38/87/11/345388711.db2.gz	AFICAGJVYLIRLS-VIFPVBQESA-N	0	0	195.331	3.357	10	0		AGAERN
CCC[C@@H]1CCc2nc(C)sc2C1	306517336	345388900	/nfs/dbraw/zinc/38/89/00/345388900.db2.gz	AFICAGJVYLIRLS-SECBINFHSA-N	0	0	195.331	3.357	10	0		AGAERN
C/C=C/CSCCCCF	306518377	345390120	/nfs/dbraw/zinc/39/01/20/345390120.db2.gz	DCLUDALFHKCEQT-NSCUHMNNSA-N	0	0	162.273	3.045	10	0		AGAERN
Oc1ccc(C2=CCCC2)c(F)c1	306519326	345390460	/nfs/dbraw/zinc/39/04/60/345390460.db2.gz	CIEKIPQEUNRGOO-UHFFFAOYSA-N	0	0	178.206	3.099	10	0		AGAERN
Cc1csc(-c2ccnc(C)c2)c1	306523687	345395932	/nfs/dbraw/zinc/39/59/32/345395932.db2.gz	UNPFUROTCLQAGS-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
Cc1cc(C)nc(SC2CCC2)c1	306528465	345399902	/nfs/dbraw/zinc/39/99/02/345399902.db2.gz	DUQLKILJROJFLT-UHFFFAOYSA-N	0	0	193.315	3.343	10	0		AGAERN
C[C@@H]1CCNc2cc(F)c(Cl)cc21	306528622	345400075	/nfs/dbraw/zinc/40/00/75/345400075.db2.gz	HHMUENGTGZHIKI-ZCFIWIBFSA-N	0	0	199.656	3.398	10	0		AGAERN
C[C@H]1CCNc2cc(F)c(Cl)cc21	306528614	345400079	/nfs/dbraw/zinc/40/00/79/345400079.db2.gz	HHMUENGTGZHIKI-LURJTMIESA-N	0	0	199.656	3.398	10	0		AGAERN
Cc1cc(F)c2c(c1)[C@H](C)CCN2	306529070	345400239	/nfs/dbraw/zinc/40/02/39/345400239.db2.gz	HUEUVTOHBAEHED-MRVPVSSYSA-N	0	0	179.238	3.053	10	0		AGAERN
Cc1cc(F)c2c(c1)[C@@H](C)CCN2	306529072	345400321	/nfs/dbraw/zinc/40/03/21/345400321.db2.gz	HUEUVTOHBAEHED-QMMMGPOBSA-N	0	0	179.238	3.053	10	0		AGAERN
CC[C@H](C(C)=O)c1cccc(C)c1	306530599	345401979	/nfs/dbraw/zinc/40/19/79/345401979.db2.gz	JRGSWUCDDBSGTI-GFCCVEGCSA-N	0	0	176.259	3.078	10	0		AGAERN
CC[C@@H](C(C)=O)c1cccc(C)c1	306530600	345402085	/nfs/dbraw/zinc/40/20/85/345402085.db2.gz	JRGSWUCDDBSGTI-LBPRGKRZSA-N	0	0	176.259	3.078	10	0		AGAERN
CC1(c2csc(C3CCC3)n2)CC1	306532002	345403976	/nfs/dbraw/zinc/40/39/76/345403976.db2.gz	GCINDGTUAGAUOZ-UHFFFAOYSA-N	0	0	193.315	3.462	10	0		AGAERN
S=c1[nH]cc(C2CCCCCC2)o1	306532653	345404458	/nfs/dbraw/zinc/40/44/58/345404458.db2.gz	BXYNDBGBWHEOOS-UHFFFAOYSA-N	0	0	197.303	3.401	10	0		AGAERN
CCCCc1cc(F)c(N)cc1C	306535507	345408506	/nfs/dbraw/zinc/40/85/06/345408506.db2.gz	PMVFJALKCNOGKP-UHFFFAOYSA-N	0	0	181.254	3.059	10	0		AGAERN
Cc1ccc(CSC(C)C)c(C)n1	306536325	345409032	/nfs/dbraw/zinc/40/90/32/345409032.db2.gz	KIBFNYWJNCRMPF-UHFFFAOYSA-N	0	0	195.331	3.340	10	0		AGAERN
Cc1ccc(N)c(C2=CCCC2)c1	306536790	345409377	/nfs/dbraw/zinc/40/93/77/345409377.db2.gz	QVNYZEWSJBZUSM-UHFFFAOYSA-N	0	0	173.259	3.145	10	0		AGAERN
C[C@@H]1CCCC[C@H]1C(=O)CC1CC1	306537408	345410446	/nfs/dbraw/zinc/41/04/46/345410446.db2.gz	INNCZXNOMDTWNR-MWLCHTKSSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@H]1CCCC[C@@H]1C(=O)CC1CC1	306537409	345410468	/nfs/dbraw/zinc/41/04/68/345410468.db2.gz	INNCZXNOMDTWNR-ONGXEEELSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1ccoc1C(=O)[C@H](C)C(C)C	306537537	345410471	/nfs/dbraw/zinc/41/04/71/345410471.db2.gz	LKZZXEWLDGGNRJ-SECBINFHSA-N	0	0	180.247	3.063	10	0		AGAERN
Cc1ccoc1C(=O)[C@@H](C)C(C)C	306537539	345410493	/nfs/dbraw/zinc/41/04/93/345410493.db2.gz	LKZZXEWLDGGNRJ-VIFPVBQESA-N	0	0	180.247	3.063	10	0		AGAERN
C[C@H]1CCCC[C@H]1C(=O)CC1CC1	306537406	345410591	/nfs/dbraw/zinc/41/05/91/345410591.db2.gz	INNCZXNOMDTWNR-GXSJLCMTSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1C(=O)CC1CC1	306537407	345410699	/nfs/dbraw/zinc/41/06/99/345410699.db2.gz	INNCZXNOMDTWNR-KOLCDFICSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H](O)[C@H]1CCCCC12CCCC2	306537806	345410933	/nfs/dbraw/zinc/41/09/33/345410933.db2.gz	OJZQDFHZCHGBHI-GHMZBOCLSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@@H](O)[C@@H]1CCCCC12CCCC2	306537807	345410948	/nfs/dbraw/zinc/41/09/48/345410948.db2.gz	OJZQDFHZCHGBHI-MNOVXSKESA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@H](O)[C@H]1CCCCC12CCCC2	306537809	345411157	/nfs/dbraw/zinc/41/11/57/345411157.db2.gz	OJZQDFHZCHGBHI-WDEREUQCSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(C)[C@@H](C)[C@H]1CCCCC(=O)C1	306537949	345411358	/nfs/dbraw/zinc/41/13/58/345411358.db2.gz	LSNSBBIZPYQVRT-MNOVXSKESA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)[C@H](C)[C@@H]1CCCCC(=O)C1	306537951	345411379	/nfs/dbraw/zinc/41/13/79/345411379.db2.gz	LSNSBBIZPYQVRT-WDEREUQCSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC[C@@H]1CCc2cc(N)ccc21	306538120	345411437	/nfs/dbraw/zinc/41/14/37/345411437.db2.gz	SKTHERZGKNCPJP-SECBINFHSA-N	0	0	175.275	3.099	10	0		AGAERN
CC(C)[C@@H](C)[C@@H]1CCCCC(=O)C1	306537948	345411559	/nfs/dbraw/zinc/41/15/59/345411559.db2.gz	LSNSBBIZPYQVRT-GHMZBOCLSA-N	0	0	182.307	3.428	10	0		AGAERN
Cc1cc(NC(C)C)c(C)cc1F	306538042	345411596	/nfs/dbraw/zinc/41/15/96/345411596.db2.gz	MANGMKQAOIGXAR-UHFFFAOYSA-N	0	0	181.254	3.263	10	0		AGAERN
CC(C)[C@H](C)[C@H]1CCCCC(=O)C1	306537950	345411621	/nfs/dbraw/zinc/41/16/21/345411621.db2.gz	LSNSBBIZPYQVRT-QWRGUYRKSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC[C@H]1CCc2cc(N)ccc21	306538121	345411720	/nfs/dbraw/zinc/41/17/20/345411720.db2.gz	SKTHERZGKNCPJP-VIFPVBQESA-N	0	0	175.275	3.099	10	0		AGAERN
C[C@@H]1CCNc2c(Cl)cc(F)cc21	306538484	345412377	/nfs/dbraw/zinc/41/23/77/345412377.db2.gz	SSAZGRWXCBMEAK-ZCFIWIBFSA-N	0	0	199.656	3.398	10	0		AGAERN
CC(C)[C@H](C)[C@@H]1C[C@H](C)CCC1=O	306540578	345414749	/nfs/dbraw/zinc/41/47/49/345414749.db2.gz	OYWUGFKMBMJYHW-VWYCJHECSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)[C@@H](C)[C@H]1C[C@H](C)CCC1=O	306540575	345414800	/nfs/dbraw/zinc/41/48/00/345414800.db2.gz	OYWUGFKMBMJYHW-GMTAPVOTSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)[C@@H](C)[C@@H]1C[C@H](C)CCC1=O	306540576	345414885	/nfs/dbraw/zinc/41/48/85/345414885.db2.gz	OYWUGFKMBMJYHW-MXWKQRLJSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)[C@H](C)[C@H]1C[C@H](C)CCC1=O	306540577	345414915	/nfs/dbraw/zinc/41/49/15/345414915.db2.gz	OYWUGFKMBMJYHW-OUAUKWLOSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)[C@@H](C)C(=O)[C@@H]1CC[C@@H](C)C1	306541559	345415482	/nfs/dbraw/zinc/41/54/82/345415482.db2.gz	PWXNCSKYSHEHNG-GMTAPVOTSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)[C@H](C)C(=O)[C@H]1CC[C@@H](C)C1	306541565	345415563	/nfs/dbraw/zinc/41/55/63/345415563.db2.gz	PWXNCSKYSHEHNG-VWYCJHECSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)[C@H](C)C(=O)[C@@H]1CC[C@@H](C)C1	306541563	345415655	/nfs/dbraw/zinc/41/56/55/345415655.db2.gz	PWXNCSKYSHEHNG-OUAUKWLOSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)[C@@H](C)C(=O)[C@H]1CC[C@@H](C)C1	306541561	345415670	/nfs/dbraw/zinc/41/56/70/345415670.db2.gz	PWXNCSKYSHEHNG-MXWKQRLJSA-N	0	0	182.307	3.284	10	0		AGAERN
C[C@@H]1CC[C@@]1(O)C1CCCCCC1	306542162	345416002	/nfs/dbraw/zinc/41/60/02/345416002.db2.gz	YRWZRCIMILAGPS-PWSUYJOCSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@@H]1CC[C@]1(O)C1CCCCCC1	306542163	345416007	/nfs/dbraw/zinc/41/60/07/345416007.db2.gz	YRWZRCIMILAGPS-ZYHUDNBSSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@H]1CC[C@@]1(O)C1CCCCCC1	306542161	345416064	/nfs/dbraw/zinc/41/60/64/345416064.db2.gz	YRWZRCIMILAGPS-JQWIXIFHSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@H]1CC[C@]1(O)C1CCCCCC1	306542160	345416250	/nfs/dbraw/zinc/41/62/50/345416250.db2.gz	YRWZRCIMILAGPS-CMPLNLGQSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@@H](C)[C@@H](C)n1cnc(C)c1C	306543171	345417096	/nfs/dbraw/zinc/41/70/96/345417096.db2.gz	RSWWRNBBBKXGGK-PSASIEDQSA-N	0	0	180.295	3.107	10	0		AGAERN
CC[C@H](C)[C@@H](C)n1cnc(C)c1C	306543173	345417141	/nfs/dbraw/zinc/41/71/41/345417141.db2.gz	RSWWRNBBBKXGGK-WCBMZHEXSA-N	0	0	180.295	3.107	10	0		AGAERN
CC[C@H](C)[C@H](C)n1cnc(C)c1C	306543174	345417293	/nfs/dbraw/zinc/41/72/93/345417293.db2.gz	RSWWRNBBBKXGGK-WPRPVWTQSA-N	0	0	180.295	3.107	10	0		AGAERN
CC[C@@H](C)[C@H](C)n1cnc(C)c1C	306543172	345417349	/nfs/dbraw/zinc/41/73/49/345417349.db2.gz	RSWWRNBBBKXGGK-SCZZXKLOSA-N	0	0	180.295	3.107	10	0		AGAERN
CC1(C)CC=C(c2cc[nH]n2)CC1	306549657	345424666	/nfs/dbraw/zinc/42/46/66/345424666.db2.gz	GQBDKLDFWBZWPB-UHFFFAOYSA-N	0	0	176.263	3.003	10	0		AGAERN
CC1(C)CCC[C@@H]1n1ccc(Cl)n1	306550070	345425166	/nfs/dbraw/zinc/42/51/66/345425166.db2.gz	HDAGVXXHWVKKQL-QMMMGPOBSA-N	0	0	198.697	3.288	10	0		AGAERN
CC1(C)CCC[C@H]1n1ccc(Cl)n1	306550069	345425506	/nfs/dbraw/zinc/42/55/06/345425506.db2.gz	HDAGVXXHWVKKQL-MRVPVSSYSA-N	0	0	198.697	3.288	10	0		AGAERN
Cc1cc(C(=O)C2(C)CC2)c(C)s1	306552070	345427527	/nfs/dbraw/zinc/42/75/27/345427527.db2.gz	AQEWVFLNZSHRHS-UHFFFAOYSA-N	0	0	194.299	3.348	10	0		AGAERN
Cc1occc1[C@H](O)CC1=CCCC1	306551935	345427529	/nfs/dbraw/zinc/42/75/29/345427529.db2.gz	CZMZPLICRXWOEW-GFCCVEGCSA-N	0	0	192.258	3.122	10	0		AGAERN
Cc1occc1[C@@H](O)CC1=CCCC1	306551936	345427653	/nfs/dbraw/zinc/42/76/53/345427653.db2.gz	CZMZPLICRXWOEW-LBPRGKRZSA-N	0	0	192.258	3.122	10	0		AGAERN
CC[C@H](C)c1cc(N)c(Cl)s1	306553733	345428990	/nfs/dbraw/zinc/42/89/90/345428990.db2.gz	GSOZWLVWCVLVIQ-YFKPBYRVSA-N	0	0	189.711	3.497	10	0		AGAERN
CC[C@@H](C)c1cc(N)c(Cl)s1	306553732	345429097	/nfs/dbraw/zinc/42/90/97/345429097.db2.gz	GSOZWLVWCVLVIQ-RXMQYKEDSA-N	0	0	189.711	3.497	10	0		AGAERN
Cc1ccc(F)c(NCC2(F)CC2)c1	306558411	345433839	/nfs/dbraw/zinc/43/38/39/345433839.db2.gz	PDTADGFQYXKBPX-UHFFFAOYSA-N	0	0	197.228	3.048	10	0		AGAERN
Cc1ccc(C)c(C(=O)C(C)(C)F)c1	306562876	345438442	/nfs/dbraw/zinc/43/84/42/345438442.db2.gz	UYIQMYNOEMQUAP-UHFFFAOYSA-N	0	0	194.249	3.234	10	0		AGAERN
C/C=C/CSC[C@H](C)CC	306567632	345444003	/nfs/dbraw/zinc/44/40/03/345444003.db2.gz	IDDNLPIPPWQOHD-OTQAPUNGSA-N	0	0	158.310	3.342	10	0		AGAERN
C/C=C/CSC[C@@H](C)CC	306567628	345444274	/nfs/dbraw/zinc/44/42/74/345444274.db2.gz	IDDNLPIPPWQOHD-DNQSNQRASA-N	0	0	158.310	3.342	10	0		AGAERN
CC(C)c1ccccc1C(=O)C(F)F	306567988	345444814	/nfs/dbraw/zinc/44/48/14/345444814.db2.gz	TYDTZNQFIPFZCU-UHFFFAOYSA-N	0	0	198.212	3.258	10	0		AGAERN
O=C(CC1CC1)[C@H]1CC2CCC1CC2	306570930	345448472	/nfs/dbraw/zinc/44/84/72/345448472.db2.gz	ZSPQTGDWCLOSCC-NHNAUAITSA-N	0	0	192.302	3.182	10	0		AGAERN
O=C(CC1CC1)[C@@H]1CC2CCC1CC2	306570931	345448490	/nfs/dbraw/zinc/44/84/90/345448490.db2.gz	ZSPQTGDWCLOSCC-QEWOUOOISA-N	0	0	192.302	3.182	10	0		AGAERN
CC1([C@@H](O)CC2=CCCC2)CCCC1	306571245	345448497	/nfs/dbraw/zinc/44/84/97/345448497.db2.gz	FWGWEIOSKWGWIK-LBPRGKRZSA-N	0	0	194.318	3.428	10	0		AGAERN
Cc1cn(CC2=CCCC2)cc1C	306571831	345449204	/nfs/dbraw/zinc/44/92/04/345449204.db2.gz	HDUSKJDPMBDUPB-UHFFFAOYSA-N	0	0	175.275	3.215	10	0		AGAERN
C[C@H]([C@H]1CC1(C)C)n1cccc1	306575041	345452323	/nfs/dbraw/zinc/45/23/23/345452323.db2.gz	JBXNCRBRWVDCFA-NXEZZACHSA-N	0	0	163.264	3.095	10	0		AGAERN
C[C@@H]([C@H]1CC1(C)C)n1cccc1	306575043	345452356	/nfs/dbraw/zinc/45/23/56/345452356.db2.gz	JBXNCRBRWVDCFA-VHSXEESVSA-N	0	0	163.264	3.095	10	0		AGAERN
C[C@H]([C@@H]1CC1(C)C)n1cccc1	306575044	345452583	/nfs/dbraw/zinc/45/25/83/345452583.db2.gz	JBXNCRBRWVDCFA-ZJUUUORDSA-N	0	0	163.264	3.095	10	0		AGAERN
S=c1[nH]cc(CC2CCCCC2)o1	306575193	345452600	/nfs/dbraw/zinc/45/26/00/345452600.db2.gz	IZGHFEGJKGTXAH-UHFFFAOYSA-N	0	0	197.303	3.086	10	0		AGAERN
C[C@@H]([C@@H]1CC1(C)C)n1cccc1	306575042	345452656	/nfs/dbraw/zinc/45/26/56/345452656.db2.gz	JBXNCRBRWVDCFA-UWVGGRQHSA-N	0	0	163.264	3.095	10	0		AGAERN
C[C@]1(O)CCC[C@]1(C)CC1=CCCC1	306577073	345454050	/nfs/dbraw/zinc/45/40/50/345454050.db2.gz	KZQRHHGEGLEGED-OLZOCXBDSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@@]1(O)CCC[C@]1(C)CC1=CCCC1	306577072	345454094	/nfs/dbraw/zinc/45/40/94/345454094.db2.gz	KZQRHHGEGLEGED-CHWSQXEVSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@@]1(CC2=CCCC2)CCC[C@@]1(C)O	306577074	345454228	/nfs/dbraw/zinc/45/42/28/345454228.db2.gz	KZQRHHGEGLEGED-QWHCGFSZSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@]1(O)CCC[C@@]1(C)CC1=CCCC1	306577075	345454292	/nfs/dbraw/zinc/45/42/92/345454292.db2.gz	KZQRHHGEGLEGED-STQMWFEESA-N	0	0	194.318	3.428	10	0		AGAERN
Cc1ccc(F)c2c1[C@H](C)CCN2	306578018	345455210	/nfs/dbraw/zinc/45/52/10/345455210.db2.gz	VSNLBVDFMALSEO-MRVPVSSYSA-N	0	0	179.238	3.053	10	0		AGAERN
Cc1ccc(F)c2c1[C@@H](C)CCN2	306578019	345455306	/nfs/dbraw/zinc/45/53/06/345455306.db2.gz	VSNLBVDFMALSEO-QMMMGPOBSA-N	0	0	179.238	3.053	10	0		AGAERN
C[C@H]1CC(CC2=CCCC2)=C[C@H](O)C1	306578995	345456211	/nfs/dbraw/zinc/45/62/11/345456211.db2.gz	MXTQQQYOIPHUBQ-GXFFZTMASA-N	0	0	192.302	3.204	10	0		AGAERN
C[C@@H]1CC(CC2=CCCC2)=C[C@@H](O)C1	306578997	345456472	/nfs/dbraw/zinc/45/64/72/345456472.db2.gz	MXTQQQYOIPHUBQ-MFKMUULPSA-N	0	0	192.302	3.204	10	0		AGAERN
C[C@@H]1CC(CC2=CCCC2)=C[C@H](O)C1	306578999	345456574	/nfs/dbraw/zinc/45/65/74/345456574.db2.gz	MXTQQQYOIPHUBQ-ZWNOBZJWSA-N	0	0	192.302	3.204	10	0		AGAERN
C[C@H]1CC(CC2=CCCC2)=C[C@@H](O)C1	306578993	345456616	/nfs/dbraw/zinc/45/66/16/345456616.db2.gz	MXTQQQYOIPHUBQ-GWCFXTLKSA-N	0	0	192.302	3.204	10	0		AGAERN
Cc1scc(N)c1[C@H]1CC1(C)C	306582282	345459258	/nfs/dbraw/zinc/45/92/58/345459258.db2.gz	PCDFOJHGRJRJRR-SSDOTTSWSA-N	0	0	181.304	3.152	10	0		AGAERN
Cc1scc(N)c1[C@@H]1CC1(C)C	306582284	345459413	/nfs/dbraw/zinc/45/94/13/345459413.db2.gz	PCDFOJHGRJRJRR-ZETCQYMHSA-N	0	0	181.304	3.152	10	0		AGAERN
Cc1cc(-c2c[nH]c(=S)[nH]2)cs1	306582021	345459513	/nfs/dbraw/zinc/45/95/13/345459513.db2.gz	CQIVLQKTFMKIOA-UHFFFAOYSA-N	0	0	196.300	3.109	10	0		AGAERN
Cc1c(Cl)ccc(OCF)c1F	306582669	345460124	/nfs/dbraw/zinc/46/01/24/345460124.db2.gz	CRJZCHZZGWDGOB-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
CCc1nc([C@@H]2CC2(C)C)cs1	306584755	345461450	/nfs/dbraw/zinc/46/14/50/345461450.db2.gz	SCEFXVQLIOMSJZ-ZETCQYMHSA-N	0	0	181.304	3.219	10	0		AGAERN
CCc1nc([C@H]2CC2(C)C)cs1	306584754	345461468	/nfs/dbraw/zinc/46/14/68/345461468.db2.gz	SCEFXVQLIOMSJZ-SSDOTTSWSA-N	0	0	181.304	3.219	10	0		AGAERN
CCc1cc(C(F)F)c(F)cc1F	306584399	345461531	/nfs/dbraw/zinc/46/15/31/345461531.db2.gz	GHLFUBIQAZNULV-UHFFFAOYSA-N	0	0	192.155	3.465	10	0		AGAERN
C[C@@H]1CCC[C@@H](C(=O)C(C)(C)F)C1	306585502	345461939	/nfs/dbraw/zinc/46/19/39/345461939.db2.gz	KFGSMDKNFYDRIV-RKDXNWHRSA-N	0	0	186.270	3.130	10	0		AGAERN
C[C@H]1CCC[C@H](C(=O)C(C)(C)F)C1	306585500	345461999	/nfs/dbraw/zinc/46/19/99/345461999.db2.gz	KFGSMDKNFYDRIV-IUCAKERBSA-N	0	0	186.270	3.130	10	0		AGAERN
C[C@H]1CCC[C@@H](C(=O)C(C)(C)F)C1	306585499	345462004	/nfs/dbraw/zinc/46/20/04/345462004.db2.gz	KFGSMDKNFYDRIV-DTWKUNHWSA-N	0	0	186.270	3.130	10	0		AGAERN
C[C@@H]1CCC[C@H](C(=O)C(C)(C)F)C1	306585497	345462254	/nfs/dbraw/zinc/46/22/54/345462254.db2.gz	KFGSMDKNFYDRIV-BDAKNGLRSA-N	0	0	186.270	3.130	10	0		AGAERN
CCc1scc(N)c1[C@@H]1CC1(C)C	306585016	345462261	/nfs/dbraw/zinc/46/22/61/345462261.db2.gz	QOBUAIIHRGYTFD-ZETCQYMHSA-N	0	0	195.331	3.406	10	0		AGAERN
C[C@@H]1CC[C@H]([C@@H](O)CC2=CCCC2)C1	306585634	345462544	/nfs/dbraw/zinc/46/25/44/345462544.db2.gz	SQUZASNPDCGJFN-WXHSDQCUSA-N	0	0	194.318	3.284	10	0		AGAERN
C[C@@H]1CC[C@@H]([C@@H](O)CC2=CCCC2)C1	306585633	345462659	/nfs/dbraw/zinc/46/26/59/345462659.db2.gz	SQUZASNPDCGJFN-RTXFEEFZSA-N	0	0	194.318	3.284	10	0		AGAERN
C[C@@H]1CC[C@@H]([C@H](O)CC2=CCCC2)C1	306585632	345462694	/nfs/dbraw/zinc/46/26/94/345462694.db2.gz	SQUZASNPDCGJFN-RAIGVLPGSA-N	0	0	194.318	3.284	10	0		AGAERN
C[C@@H]1CC[C@H]([C@H](O)CC2=CCCC2)C1	306585631	345462711	/nfs/dbraw/zinc/46/27/11/345462711.db2.gz	SQUZASNPDCGJFN-KGYLQXTDSA-N	0	0	194.318	3.284	10	0		AGAERN
COc1ccc(C)c(C)c1SC	306586283	345463059	/nfs/dbraw/zinc/46/30/59/345463059.db2.gz	TZYMTPMOJYZBFK-UHFFFAOYSA-N	0	0	182.288	3.034	10	0		AGAERN
CCc1cc(F)cc(C(F)F)c1F	306588265	345465222	/nfs/dbraw/zinc/46/52/22/345465222.db2.gz	SVCQCKMKUIAJSI-UHFFFAOYSA-N	0	0	192.155	3.465	10	0		AGAERN
CCc1c(C)cc(F)cc1C	306589809	345466947	/nfs/dbraw/zinc/46/69/47/345466947.db2.gz	XJJTUODTZVZLFK-UHFFFAOYSA-N	0	0	152.212	3.005	10	0		AGAERN
CSc1cc(F)c(F)cc1Cl	306590421	345467716	/nfs/dbraw/zinc/46/77/16/345467716.db2.gz	XSXUMOQSQLISLS-UHFFFAOYSA-N	0	0	194.633	3.340	10	0		AGAERN
OCC1(CC2=CCCC2)CCCC1	306591323	345468864	/nfs/dbraw/zinc/46/88/64/345468864.db2.gz	YNVJVIDVGWKVDI-UHFFFAOYSA-N	0	0	180.291	3.040	10	0		AGAERN
Cc1ccc(F)c(OC(F)F)c1C	306591313	345468883	/nfs/dbraw/zinc/46/88/83/345468883.db2.gz	YNKWJTACLQBHQU-UHFFFAOYSA-N	0	0	190.164	3.044	10	0		AGAERN
CCc1ccc(F)c(C(F)F)c1F	306592701	345469603	/nfs/dbraw/zinc/46/96/03/345469603.db2.gz	IIEYLGQXYAHBOC-UHFFFAOYSA-N	0	0	192.155	3.465	10	0		AGAERN
CCNc1cc(Cl)cc(F)c1F	306593503	345470866	/nfs/dbraw/zinc/47/08/66/345470866.db2.gz	DGRRSIOVNHALOT-UHFFFAOYSA-N	0	0	191.608	3.050	10	0		AGAERN
CC[C@@H]1C[C@H]1[C@H](O)C1=CCCCCC1	306594316	345471325	/nfs/dbraw/zinc/47/13/25/345471325.db2.gz	FOEHDSUFKKQVHE-RAIGVLPGSA-N	0	0	194.318	3.284	10	0		AGAERN
CC[C@@H]1C[C@@H]1[C@@H](O)C1=CCCCCC1	306594318	345471427	/nfs/dbraw/zinc/47/14/27/345471427.db2.gz	FOEHDSUFKKQVHE-WXHSDQCUSA-N	0	0	194.318	3.284	10	0		AGAERN
CC[C@@H]1C[C@@H]1[C@H](O)C1=CCCCCC1	306594315	345471447	/nfs/dbraw/zinc/47/14/47/345471447.db2.gz	FOEHDSUFKKQVHE-KGYLQXTDSA-N	0	0	194.318	3.284	10	0		AGAERN
CCc1cc(F)c(F)cc1C(F)F	306596875	345473510	/nfs/dbraw/zinc/47/35/10/345473510.db2.gz	NFGVNHYZSABLBL-UHFFFAOYSA-N	0	0	192.155	3.465	10	0		AGAERN
CCc1c(Cl)ccc(F)c1C	306598547	345474765	/nfs/dbraw/zinc/47/47/65/345474765.db2.gz	GFFMKYLMCFOAGJ-UHFFFAOYSA-N	0	0	172.630	3.350	10	0		AGAERN
CCc1c(C)cc(Cl)cc1F	306600034	345476275	/nfs/dbraw/zinc/47/62/75/345476275.db2.gz	IKQHOSJBRGXZKC-UHFFFAOYSA-N	0	0	172.630	3.350	10	0		AGAERN
CCc1ccc(F)c(C)c1Cl	306599723	345476406	/nfs/dbraw/zinc/47/64/06/345476406.db2.gz	HXIVYAQZSLZIHL-UHFFFAOYSA-N	0	0	172.630	3.350	10	0		AGAERN
CCc1cc(Cl)cc(C)c1F	306599738	345476506	/nfs/dbraw/zinc/47/65/06/345476506.db2.gz	HYQZSAOOBJZHOB-UHFFFAOYSA-N	0	0	172.630	3.350	10	0		AGAERN
CCc1cc(C)c(Cl)c(F)c1	306602301	345478053	/nfs/dbraw/zinc/47/80/53/345478053.db2.gz	KWYCJELDANJCIN-UHFFFAOYSA-N	0	0	172.630	3.350	10	0		AGAERN
FCc1c(F)cc(Cl)cc1F	306602607	345478601	/nfs/dbraw/zinc/47/86/01/345478601.db2.gz	LRYOWDCGVQZIRD-UHFFFAOYSA-N	0	0	180.556	3.088	10	0		AGAERN
Cc1cc(F)c(CF)cc1Cl	306603391	345479020	/nfs/dbraw/zinc/47/90/20/345479020.db2.gz	MMMFQJPLRORINL-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
CCOc1cc(C)c(F)c(Cl)c1	306603346	345479095	/nfs/dbraw/zinc/47/90/95/345479095.db2.gz	MITHGCJAILPDTL-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
CCc1ccc(C(F)F)c(F)c1F	306604281	345479766	/nfs/dbraw/zinc/47/97/66/345479766.db2.gz	YTOUBCXZHROBRE-UHFFFAOYSA-N	0	0	192.155	3.465	10	0		AGAERN
Cc1c(F)cc(Cl)cc1OCF	306604595	345480277	/nfs/dbraw/zinc/48/02/77/345480277.db2.gz	OJBXBEWFKKUCBN-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
CCc1ccc(Cl)c(C)c1F	306605412	345480714	/nfs/dbraw/zinc/48/07/14/345480714.db2.gz	PPCQCUKYAYQSTQ-UHFFFAOYSA-N	0	0	172.630	3.350	10	0		AGAERN
Cc1ccc(OCF)c(F)c1Cl	306606833	345481457	/nfs/dbraw/zinc/48/14/57/345481457.db2.gz	SHFJHBRKAHBPFJ-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
Cc1cc(F)cc(OCF)c1Cl	306606813	345481555	/nfs/dbraw/zinc/48/15/55/345481555.db2.gz	SETMRQGPQKXKQI-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
CCOc1cc(C)c(F)cc1Cl	306608764	345482986	/nfs/dbraw/zinc/48/29/86/345482986.db2.gz	XBCXJQXGFAOTOP-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
Cc1cc(F)c(OCF)cc1Cl	306608979	345483345	/nfs/dbraw/zinc/48/33/45/345483345.db2.gz	XOWUPVVQORWTMA-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
CCc1cc(F)c(C)c(Cl)c1	306609524	345483824	/nfs/dbraw/zinc/48/38/24/345483824.db2.gz	YMOZCEZMTXJIHU-UHFFFAOYSA-N	0	0	172.630	3.350	10	0		AGAERN
Cc1cc(Cl)c(OCF)cc1F	306609566	345483868	/nfs/dbraw/zinc/48/38/68/345483868.db2.gz	YRPANJPSLDYJTQ-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
CSc1cc(F)cc(F)c1Cl	306611107	345485026	/nfs/dbraw/zinc/48/50/26/345485026.db2.gz	FUYQPGCERYRVKG-UHFFFAOYSA-N	0	0	194.633	3.340	10	0		AGAERN
Cc1nc2n(c1C(C)C)[C@H](C)CCC2	306611030	345485190	/nfs/dbraw/zinc/48/51/90/345485190.db2.gz	LKAMRBVJYYMXTC-SECBINFHSA-N	0	0	192.306	3.212	10	0		AGAERN
CSc1c(Cl)ccc(F)c1F	306610782	345485230	/nfs/dbraw/zinc/48/52/30/345485230.db2.gz	FLJNDFOIZHYYIY-UHFFFAOYSA-N	0	0	194.633	3.340	10	0		AGAERN
Cc1nc2n(c1C(C)C)[C@@H](C)CCC2	306611032	345485261	/nfs/dbraw/zinc/48/52/61/345485261.db2.gz	LKAMRBVJYYMXTC-VIFPVBQESA-N	0	0	192.306	3.212	10	0		AGAERN
CC[C@@H](Nc1ccccn1)C(C)(C)C	306614307	345487415	/nfs/dbraw/zinc/48/74/15/345487415.db2.gz	LVQMPAYHIUDNIA-SNVBAGLBSA-N	0	0	192.306	3.318	10	0		AGAERN
CC[C@H](Nc1ccccn1)C(C)(C)C	306614306	345487476	/nfs/dbraw/zinc/48/74/76/345487476.db2.gz	LVQMPAYHIUDNIA-JTQLQIEISA-N	0	0	192.306	3.318	10	0		AGAERN
O=C1CCC[C@@H](CC2=CCCC2)C1	306616494	345489776	/nfs/dbraw/zinc/48/97/76/345489776.db2.gz	QEEJKIGYLVRAMU-NSHDSACASA-N	0	0	178.275	3.246	10	0		AGAERN
O=C1CCC[C@H](CC2=CCCC2)C1	306616493	345490017	/nfs/dbraw/zinc/49/00/17/345490017.db2.gz	QEEJKIGYLVRAMU-LLVKDONJSA-N	0	0	178.275	3.246	10	0		AGAERN
O=C(CC1=CCCCC1)c1ccc[nH]1	306618686	345491708	/nfs/dbraw/zinc/49/17/08/345491708.db2.gz	TTWWHGFSTYPTMN-UHFFFAOYSA-N	0	0	189.258	3.088	10	0		AGAERN
CC1OC(=S)N=C1c1ccsc1	306621991	345494108	/nfs/dbraw/zinc/49/41/08/345494108.db2.gz	ADUSTWGXJHIPQI-UHFFFAOYSA-N	0	0	197.284	3.000	10	0		AGAERN
Cc1cc(C)c(C(F)(F)F)cc1O	306628088	345499187	/nfs/dbraw/zinc/49/91/87/345499187.db2.gz	JGKYSTJVMSHFKZ-UHFFFAOYSA-N	0	0	190.164	3.028	10	0		AGAERN
CC1CCC(C(=O)C(C)(C)F)CC1	306632039	345501985	/nfs/dbraw/zinc/50/19/85/345501985.db2.gz	ONWLNBOYPOWNEA-UHFFFAOYSA-N	0	0	186.270	3.130	10	0		AGAERN
Cc1ccc(C2(O)CC(C)(C)C2)s1	306637913	345505990	/nfs/dbraw/zinc/50/59/90/345505990.db2.gz	BWAGSJQLJVEBIN-UHFFFAOYSA-N	0	0	196.315	3.064	10	0		AGAERN
Cc1cc(OC(F)F)c(C)cc1F	306638618	345506418	/nfs/dbraw/zinc/50/64/18/345506418.db2.gz	GKZFHJAATAUWSR-UHFFFAOYSA-N	0	0	190.164	3.044	10	0		AGAERN
c1c[nH]c(-c2csc(C3CC3)n2)c1	306638374	345506540	/nfs/dbraw/zinc/50/65/40/345506540.db2.gz	BVBLRUSKFJKWFF-UHFFFAOYSA-N	0	0	190.271	3.016	10	0		AGAERN
Cc1cc(C(F)(F)F)cc(O)c1C	306642704	345511211	/nfs/dbraw/zinc/51/12/11/345511211.db2.gz	UMKCOGMIEDGNLD-UHFFFAOYSA-N	0	0	190.164	3.028	10	0		AGAERN
Cc1cc(O)cc(C)c1C(F)(F)F	306643618	345512315	/nfs/dbraw/zinc/51/23/15/345512315.db2.gz	XFJUOXOKTRAETR-UHFFFAOYSA-N	0	0	190.164	3.028	10	0		AGAERN
CC(C)(C)C(C)(C)C(=O)c1ccc[nH]1	306646482	345514830	/nfs/dbraw/zinc/51/48/30/345514830.db2.gz	CTGNEMGCUNKAFQ-UHFFFAOYSA-N	0	0	193.290	3.270	10	0		AGAERN
CNc1ccc(Cl)c2ccoc12	306646194	345514877	/nfs/dbraw/zinc/51/48/77/345514877.db2.gz	BJIBRSZWVOVWNI-UHFFFAOYSA-N	0	0	181.622	3.128	10	0		AGAERN
COCSC1CCC(C)(C)CC1	306646896	345515554	/nfs/dbraw/zinc/51/55/54/345515554.db2.gz	BEHVHCOEPPNXPO-UHFFFAOYSA-N	0	0	188.336	3.292	10	0		AGAERN
Cc1cscc1[C@H](O)[C@@H](C)C(C)C	306648430	345516541	/nfs/dbraw/zinc/51/65/41/345516541.db2.gz	DSOSZYSNXSKLNP-GXSJLCMTSA-N	0	0	198.331	3.382	10	0		AGAERN
Cc1cscc1[C@@H](O)[C@@H](C)C(C)C	306648447	345516552	/nfs/dbraw/zinc/51/65/52/345516552.db2.gz	DSOSZYSNXSKLNP-ONGXEEELSA-N	0	0	198.331	3.382	10	0		AGAERN
Cc1cscc1[C@@H](O)[C@H](C)C(C)C	306648436	345516594	/nfs/dbraw/zinc/51/65/94/345516594.db2.gz	DSOSZYSNXSKLNP-KOLCDFICSA-N	0	0	198.331	3.382	10	0		AGAERN
CCc1c(F)cc(C(F)F)cc1F	306648902	345516606	/nfs/dbraw/zinc/51/66/06/345516606.db2.gz	QHFPPDFUBMNBIW-UHFFFAOYSA-N	0	0	192.155	3.465	10	0		AGAERN
Cc1cscc1[C@H](O)[C@H](C)C(C)C	306648441	345516639	/nfs/dbraw/zinc/51/66/39/345516639.db2.gz	DSOSZYSNXSKLNP-MWLCHTKSSA-N	0	0	198.331	3.382	10	0		AGAERN
Cc1ccc(Cl)c(F)c1CF	306651414	345518452	/nfs/dbraw/zinc/51/84/52/345518452.db2.gz	SCDADRNXNZEYTK-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
C[C@H](Sc1ncc[nH]1)C1CCCC1	306651514	345518551	/nfs/dbraw/zinc/51/85/51/345518551.db2.gz	FZPYBXTYHWBRPR-QMMMGPOBSA-N	0	0	196.319	3.081	10	0		AGAERN
C[C@@H](Sc1ncc[nH]1)C1CCCC1	306651513	345518653	/nfs/dbraw/zinc/51/86/53/345518653.db2.gz	FZPYBXTYHWBRPR-MRVPVSSYSA-N	0	0	196.319	3.081	10	0		AGAERN
CCc1c(C)ccc(F)c1C	306652837	345519094	/nfs/dbraw/zinc/51/90/94/345519094.db2.gz	UPTMIXQQEKBKKK-UHFFFAOYSA-N	0	0	152.212	3.005	10	0		AGAERN
CCc1c(F)ccc(C)c1C	306653256	345519613	/nfs/dbraw/zinc/51/96/13/345519613.db2.gz	UVQTVUADWVVIOA-UHFFFAOYSA-N	0	0	152.212	3.005	10	0		AGAERN
Cc1cc(F)c(Cl)cc1CF	306655812	345521037	/nfs/dbraw/zinc/52/10/37/345521037.db2.gz	YWPFHXQKICMYCB-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
Cc1ccc(C)n1[C@@H]1CCS[C@@H]1C	306656074	345521790	/nfs/dbraw/zinc/52/17/90/345521790.db2.gz	ZDURXJWDHLMGLB-GHMZBOCLSA-N	0	0	195.331	3.171	10	0		AGAERN
Cc1ccc(C)n1[C@@H]1CCS[C@H]1C	306656077	345521937	/nfs/dbraw/zinc/52/19/37/345521937.db2.gz	ZDURXJWDHLMGLB-WDEREUQCSA-N	0	0	195.331	3.171	10	0		AGAERN
Cc1ccc(C)n1[C@H]1CCS[C@@H]1C	306656075	345522021	/nfs/dbraw/zinc/52/20/21/345522021.db2.gz	ZDURXJWDHLMGLB-MNOVXSKESA-N	0	0	195.331	3.171	10	0		AGAERN
Cc1c(CF)ccc(F)c1Cl	306656942	345522685	/nfs/dbraw/zinc/52/26/85/345522685.db2.gz	MDFYWTLOWITESC-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
C/C=C/CSCCC1CC1	306656770	345522689	/nfs/dbraw/zinc/52/26/89/345522689.db2.gz	CNMVWIJMRMNWSJ-NSCUHMNNSA-N	0	0	156.294	3.096	10	0		AGAERN
Cc1c(F)cc(Cl)c(N)c1Cl	306657828	345523408	/nfs/dbraw/zinc/52/34/08/345523408.db2.gz	IFLWHAQSWQIKEV-UHFFFAOYSA-N	0	0	194.036	3.023	10	0		AGAERN
Cc1ccc(OCF)c(Cl)c1F	306665774	345529001	/nfs/dbraw/zinc/52/90/01/345529001.db2.gz	YMVVSWHEJIAJOQ-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
CC(C)[C@H](C)[C@@H](O)C1(C)CCCC1	306668555	345531253	/nfs/dbraw/zinc/53/12/53/345531253.db2.gz	KLGQRHISYWUGGQ-WDEREUQCSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@H](C)[C@H](O)C1(C)CCCC1	306668554	345531255	/nfs/dbraw/zinc/53/12/55/345531255.db2.gz	KLGQRHISYWUGGQ-QWRGUYRKSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@H](C)[C@H](O)[C@H]1CCCC1(C)C	306668575	345531311	/nfs/dbraw/zinc/53/13/11/345531311.db2.gz	KMTSRHJAJNEWSI-TUAOUCFPSA-N	0	0	198.350	3.466	10	0		AGAERN
Cc1nc(Cl)sc1CC(C)C	306668523	345531337	/nfs/dbraw/zinc/53/13/37/345531337.db2.gz	KINBVEZFWDAZDA-UHFFFAOYSA-N	0	0	189.711	3.303	10	0		AGAERN
CC(C)[C@H](C)[C@@H](O)[C@@H]1CCCC1(C)C	306668572	345531341	/nfs/dbraw/zinc/53/13/41/345531341.db2.gz	KMTSRHJAJNEWSI-SDDRHHMPSA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)[C@H](C)[C@@H](O)[C@H]1CCCC1(C)C	306668571	345531346	/nfs/dbraw/zinc/53/13/46/345531346.db2.gz	KMTSRHJAJNEWSI-QJPTWQEYSA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)[C@@H](C)[C@H](O)C1(C)CCCC1	306668553	345531420	/nfs/dbraw/zinc/53/14/20/345531420.db2.gz	KLGQRHISYWUGGQ-MNOVXSKESA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@@H](C)[C@@H](O)C1(C)CCCC1	306668552	345531452	/nfs/dbraw/zinc/53/14/52/345531452.db2.gz	KLGQRHISYWUGGQ-GHMZBOCLSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@H](C)[C@H](O)[C@@H]1CCCC1(C)C	306668574	345531461	/nfs/dbraw/zinc/53/14/61/345531461.db2.gz	KMTSRHJAJNEWSI-SRVKXCTJSA-N	0	0	198.350	3.466	10	0		AGAERN
C[C@@H]1CCC[C@H](c2csc(N)n2)C1	306671130	345533128	/nfs/dbraw/zinc/53/31/28/345533128.db2.gz	YJSFXFNOMBNAFR-SFYZADRCSA-N	0	0	196.319	3.019	10	0		AGAERN
C[C@H]1CCC[C@H](c2csc(N)n2)C1	306671131	345533103	/nfs/dbraw/zinc/53/31/03/345533103.db2.gz	YJSFXFNOMBNAFR-YUMQZZPRSA-N	0	0	196.319	3.019	10	0		AGAERN
C[C@@H]1CCC[C@@H](c2csc(N)n2)C1	306671128	345533158	/nfs/dbraw/zinc/53/31/58/345533158.db2.gz	YJSFXFNOMBNAFR-HTQZYQBOSA-N	0	0	196.319	3.019	10	0		AGAERN
C[C@H]1CCC[C@@H](c2csc(N)n2)C1	306671129	345533304	/nfs/dbraw/zinc/53/33/04/345533304.db2.gz	YJSFXFNOMBNAFR-JGVFFNPUSA-N	0	0	196.319	3.019	10	0		AGAERN
CC[C@H](C)[C@H](C)[C@]1(O)CCC1(C)C	306672510	345533714	/nfs/dbraw/zinc/53/37/14/345533714.db2.gz	MEBNCMSVJXRGHU-JBLDHEPKSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H](C)[C@H](C)[C@@]1(O)CCC1(C)C	306672511	345533847	/nfs/dbraw/zinc/53/38/47/345533847.db2.gz	MEBNCMSVJXRGHU-NHCYSSNCSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H](C)[C@@H](C)[C@]1(O)CCC1(C)C	306672509	345533861	/nfs/dbraw/zinc/53/38/61/345533861.db2.gz	MEBNCMSVJXRGHU-HOSYDEDBSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H](C)[C@@H](C)[C@@]1(O)CCC1(C)C	306672512	345533957	/nfs/dbraw/zinc/53/39/57/345533957.db2.gz	MEBNCMSVJXRGHU-UMNHJUIQSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)(C)C(C)(C)[C@H](O)c1cc[nH]c1	306673664	345534964	/nfs/dbraw/zinc/53/49/64/345534964.db2.gz	OELZTIBXOZFANK-SNVBAGLBSA-N	0	0	195.306	3.120	10	0		AGAERN
CC(C)(C)C(C)(C)[C@@H](O)c1cc[nH]c1	306673663	345535160	/nfs/dbraw/zinc/53/51/60/345535160.db2.gz	OELZTIBXOZFANK-JTQLQIEISA-N	0	0	195.306	3.120	10	0		AGAERN
CC(C)[C@@H](C)[C@]1(O)CCCC12CCC2	306673938	345535363	/nfs/dbraw/zinc/53/53/63/345535363.db2.gz	OWJSVCMFLJCOMV-DGCLKSJQSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)[C@H](C)[C@]1(O)CCCC12CCC2	306673939	345535474	/nfs/dbraw/zinc/53/54/74/345535474.db2.gz	OWJSVCMFLJCOMV-WCQYABFASA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)[C@H](C)[C@@]1(O)CCCC12CCC2	306673937	345535623	/nfs/dbraw/zinc/53/56/23/345535623.db2.gz	OWJSVCMFLJCOMV-AAEUAGOBSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)[C@H](C)[C@@H](O)[C@H]1CC[C@@H](C)C1	306674205	345535690	/nfs/dbraw/zinc/53/56/90/345535690.db2.gz	PUGGUSUNTMMSIP-NOOOWODRSA-N	0	0	184.323	3.076	10	0		AGAERN
CC(C)[C@@H](C)[C@@]1(O)CCCC12CCC2	306673940	345535809	/nfs/dbraw/zinc/53/58/09/345535809.db2.gz	OWJSVCMFLJCOMV-YPMHNXCESA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)[C@@H](C)[C@@H](O)[C@H]1CC[C@@H](C)C1	306674207	345536040	/nfs/dbraw/zinc/53/60/40/345536040.db2.gz	PUGGUSUNTMMSIP-WISYIIOYSA-N	0	0	184.323	3.076	10	0		AGAERN
CC(C)[C@@H](C)[C@H](O)[C@H]1CC[C@@H](C)C1	306674208	345536383	/nfs/dbraw/zinc/53/63/83/345536383.db2.gz	PUGGUSUNTMMSIP-WYUUTHIRSA-N	0	0	184.323	3.076	10	0		AGAERN
CC(C)[C@H](C)[C@H](O)[C@H]1CC[C@@H](C)C1	306674206	345536504	/nfs/dbraw/zinc/53/65/04/345536504.db2.gz	PUGGUSUNTMMSIP-RHYQMDGZSA-N	0	0	184.323	3.076	10	0		AGAERN
C[C@H]1CCCc2[nH]c(C(C)(C)F)nc21	306677973	345539896	/nfs/dbraw/zinc/53/98/96/345539896.db2.gz	AULJHANDAIIGOG-ZETCQYMHSA-N	0	0	196.269	3.054	10	0		AGAERN
C[C@@H]1CCCc2[nH]c(C(C)(C)F)nc21	306677970	345540084	/nfs/dbraw/zinc/54/00/84/345540084.db2.gz	AULJHANDAIIGOG-SSDOTTSWSA-N	0	0	196.269	3.054	10	0		AGAERN
CC1CC(O)(CC2(C)CCCC2)C1	306678312	345540500	/nfs/dbraw/zinc/54/05/00/345540500.db2.gz	HQCQUKJXNAIVAG-UHFFFAOYSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@@](O)(c1ccsc1)C1CCC1	306681011	345542931	/nfs/dbraw/zinc/54/29/31/345542931.db2.gz	MUWYGPMESKWNJN-NSHDSACASA-N	0	0	196.315	3.146	10	0		AGAERN
C[C@](O)(c1ccsc1)C1CCCC1	306681305	345543012	/nfs/dbraw/zinc/54/30/12/345543012.db2.gz	NSCXWNZXLBYVDU-LLVKDONJSA-N	0	0	196.315	3.146	10	0		AGAERN
CC[C@](O)(c1ccsc1)C1CCC1	306681010	345543026	/nfs/dbraw/zinc/54/30/26/345543026.db2.gz	MUWYGPMESKWNJN-LLVKDONJSA-N	0	0	196.315	3.146	10	0		AGAERN
C[C@@](O)(c1ccsc1)C1CCCC1	306681306	345543029	/nfs/dbraw/zinc/54/30/29/345543029.db2.gz	NSCXWNZXLBYVDU-NSHDSACASA-N	0	0	196.315	3.146	10	0		AGAERN
S=C1N=C2C3CCC(CC3)C2S1	306681675	345543465	/nfs/dbraw/zinc/54/34/65/345543465.db2.gz	OSMYUWAGRJPWJY-UHFFFAOYSA-N	0	0	197.328	3.187	10	0		AGAERN
CCC[C@H](C)[C@]1(O)CC2CCC1CC2	306682270	345543664	/nfs/dbraw/zinc/54/36/64/345543664.db2.gz	QQOAXMLNFANZLS-YWPUVAFDSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC[C@@H](C)[C@@]1(O)CC2CCC1CC2	306682269	345543712	/nfs/dbraw/zinc/54/37/12/345543712.db2.gz	QQOAXMLNFANZLS-XVSSEFHLSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC[C@@H](C)[C@]1(O)CC2CCC1CC2	306682267	345544001	/nfs/dbraw/zinc/54/40/01/345544001.db2.gz	QQOAXMLNFANZLS-IKWCTNDRSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC[C@H](C)[C@@]1(O)CC2CCC1CC2	306682268	345544122	/nfs/dbraw/zinc/54/41/22/345544122.db2.gz	QQOAXMLNFANZLS-WTIISPKJSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1ccc(CSC(C)C)nc1	306685929	345546933	/nfs/dbraw/zinc/54/69/33/345546933.db2.gz	FMHYSECOVZKUMN-UHFFFAOYSA-N	0	0	181.304	3.032	10	0		AGAERN
Cc1cc(CF)c(F)cc1Cl	306689927	345549102	/nfs/dbraw/zinc/54/91/02/345549102.db2.gz	AEGUOIHRVCGMLO-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
Cc1ccc(F)c2c1NCC[C@H]2C	306692125	345550111	/nfs/dbraw/zinc/55/01/11/345550111.db2.gz	PDJGQNAUSZITKN-SSDOTTSWSA-N	0	0	179.238	3.053	10	0		AGAERN
Cc1ccc(F)c2c1NCC[C@@H]2C	306692126	345550167	/nfs/dbraw/zinc/55/01/67/345550167.db2.gz	PDJGQNAUSZITKN-ZETCQYMHSA-N	0	0	179.238	3.053	10	0		AGAERN
S=c1ccc(C2=CCCCC2)n[nH]1	306696865	345552884	/nfs/dbraw/zinc/55/28/84/345552884.db2.gz	YFXOPPHNAHNSKH-UHFFFAOYSA-N	0	0	192.287	3.097	10	0		AGAERN
COc1c(C)ccc(SC)c1C	306698108	345553731	/nfs/dbraw/zinc/55/37/31/345553731.db2.gz	GUKDMZCRKZDCML-UHFFFAOYSA-N	0	0	182.288	3.034	10	0		AGAERN
CC[C@@H](Nc1ccccn1)C1CCC1	306700553	345555360	/nfs/dbraw/zinc/55/53/60/345555360.db2.gz	FRGMLKNAXACLOY-LLVKDONJSA-N	0	0	190.290	3.072	10	0		AGAERN
CC[C@H](Nc1ccccn1)C1CCC1	306700554	345555395	/nfs/dbraw/zinc/55/53/95/345555395.db2.gz	FRGMLKNAXACLOY-NSHDSACASA-N	0	0	190.290	3.072	10	0		AGAERN
CCSCc1cc(F)ccc1C	306703180	345556953	/nfs/dbraw/zinc/55/69/53/345556953.db2.gz	GOQIPNAJWDJMLR-UHFFFAOYSA-N	0	0	184.279	3.387	10	0		AGAERN
CCc1sc(NC)nc1C1CCC1	306703080	345557128	/nfs/dbraw/zinc/55/71/28/345557128.db2.gz	AUXFLTGNKLIMSA-UHFFFAOYSA-N	0	0	196.319	3.015	10	0		AGAERN
Cc1ccc(OC(F)F)c(F)c1C	306704126	345557851	/nfs/dbraw/zinc/55/78/51/345557851.db2.gz	NFRHERKSLYGHCW-UHFFFAOYSA-N	0	0	190.164	3.044	10	0		AGAERN
CCOc1ccc(Cl)c(F)c1C	306704575	345558631	/nfs/dbraw/zinc/55/86/31/345558631.db2.gz	NRCAVTWJUJUHRK-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
CC1(C[C@@H](O)c2ccoc2)CCCC1	306706098	345559390	/nfs/dbraw/zinc/55/93/90/345559390.db2.gz	LIJDSARSENDEPK-LLVKDONJSA-N	0	0	194.274	3.283	10	0		AGAERN
CC1(C[C@H](O)c2ccoc2)CCCC1	306706100	345559523	/nfs/dbraw/zinc/55/95/23/345559523.db2.gz	LIJDSARSENDEPK-NSHDSACASA-N	0	0	194.274	3.283	10	0		AGAERN
CCc1c(Cl)ccc(F)c1F	306707403	345561174	/nfs/dbraw/zinc/56/11/74/345561174.db2.gz	RMKRROQUZXMBLZ-UHFFFAOYSA-N	0	0	176.593	3.181	10	0		AGAERN
c1ccc2c(OC3CC3)cccc2c1	306708103	345561972	/nfs/dbraw/zinc/56/19/72/345561972.db2.gz	NTASRAANQFWYKY-UHFFFAOYSA-N	0	0	184.238	3.381	10	0		AGAERN
CCNc1ccc(C2CC2)c(F)c1	306709005	345562386	/nfs/dbraw/zinc/56/23/86/345562386.db2.gz	OPPDDXWPJXPHLG-UHFFFAOYSA-N	0	0	179.238	3.135	10	0		AGAERN
CC(C)=C[C@]1(O)CCCC12CCCC2	306711799	345564495	/nfs/dbraw/zinc/56/44/95/345564495.db2.gz	SMSIDQLDDMTHTP-CYBMUJFWSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)=C[C@@]1(O)CCCC12CCCC2	306711801	345564586	/nfs/dbraw/zinc/56/45/86/345564586.db2.gz	SMSIDQLDDMTHTP-ZDUSSCGKSA-N	0	0	194.318	3.428	10	0		AGAERN
Cc1ccc(F)c(C)c1C(F)(F)F	306713088	345565862	/nfs/dbraw/zinc/56/58/62/345565862.db2.gz	ZYLKVWYOGNTLRN-UHFFFAOYSA-N	0	0	192.155	3.461	10	0		AGAERN
CC[C@H](C)Nc1nc(C)ccc1Cl	306714943	345567328	/nfs/dbraw/zinc/56/73/28/345567328.db2.gz	RLINYFXIDCNVSO-ZETCQYMHSA-N	0	0	198.697	3.254	10	0		AGAERN
CC[C@@H](C)Nc1nc(C)ccc1Cl	306714942	345567533	/nfs/dbraw/zinc/56/75/33/345567533.db2.gz	RLINYFXIDCNVSO-SSDOTTSWSA-N	0	0	198.697	3.254	10	0		AGAERN
Cc1scc(C(=O)C2CCC2)c1C	306716540	345568964	/nfs/dbraw/zinc/56/89/64/345568964.db2.gz	FYPLOBHUDUKQSY-UHFFFAOYSA-N	0	0	194.299	3.348	10	0		AGAERN
Cc1ccc(F)c(OCF)c1Cl	306719771	345571105	/nfs/dbraw/zinc/57/11/05/345571105.db2.gz	LVBKKQNNQMWORR-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
Cc1ncn([C@@H](C)CC(C)C)c1C	306721623	345572403	/nfs/dbraw/zinc/57/24/03/345572403.db2.gz	DVQQTHHZJCCREM-VIFPVBQESA-N	0	0	180.295	3.107	10	0		AGAERN
Cc1ncn([C@H](C)CC(C)C)c1C	306721622	345572510	/nfs/dbraw/zinc/57/25/10/345572510.db2.gz	DVQQTHHZJCCREM-SECBINFHSA-N	0	0	180.295	3.107	10	0		AGAERN
CCc1nc2c(s1)[C@H](C)C[C@H](C)C2	306723743	345573694	/nfs/dbraw/zinc/57/36/94/345573694.db2.gz	HOIODHYOSKYHIA-JGVFFNPUSA-N	0	0	195.331	3.391	10	0		AGAERN
CCc1nc2c(s1)[C@@H](C)C[C@@H](C)C2	306723744	345573744	/nfs/dbraw/zinc/57/37/44/345573744.db2.gz	HOIODHYOSKYHIA-SFYZADRCSA-N	0	0	195.331	3.391	10	0		AGAERN
CCc1nc2c(s1)[C@@H](C)C[C@H](C)C2	306723745	345573829	/nfs/dbraw/zinc/57/38/29/345573829.db2.gz	HOIODHYOSKYHIA-YUMQZZPRSA-N	0	0	195.331	3.391	10	0		AGAERN
FCc1ccc(F)c(Cl)c1F	306723812	345574090	/nfs/dbraw/zinc/57/40/90/345574090.db2.gz	STLHMRKUXUNGHV-UHFFFAOYSA-N	0	0	180.556	3.088	10	0		AGAERN
CCc1nc2c(s1)[C@H](C)C[C@@H](C)C2	306723742	345574104	/nfs/dbraw/zinc/57/41/04/345574104.db2.gz	HOIODHYOSKYHIA-HTQZYQBOSA-N	0	0	195.331	3.391	10	0		AGAERN
Nc1ccc(F)cc1C1=CCCCC1	306723725	345574145	/nfs/dbraw/zinc/57/41/45/345574145.db2.gz	HLXNXXSVZWZPSX-UHFFFAOYSA-N	0	0	191.249	3.365	10	0		AGAERN
Cc1cc(C(F)F)cc(F)c1C	306724454	345574490	/nfs/dbraw/zinc/57/44/90/345574490.db2.gz	UWQIGMSPWJFBMS-UHFFFAOYSA-N	0	0	174.165	3.380	10	0		AGAERN
CC1(C)CCc2sc(C3CC3)nc21	306724133	345574982	/nfs/dbraw/zinc/57/49/82/345574982.db2.gz	IBYORSFGEYULEH-UHFFFAOYSA-N	0	0	193.315	3.244	10	0		AGAERN
Nc1ccc2c(c1)CC[C@@H]2CC1CC1	306724827	345575136	/nfs/dbraw/zinc/57/51/36/345575136.db2.gz	JLPIOROSHNDWGV-SNVBAGLBSA-N	0	0	187.286	3.099	10	0		AGAERN
C[C@@H]1C[C@@](O)(CC2(C)CCCC2)[C@@H]1C	306725179	345575203	/nfs/dbraw/zinc/57/52/03/345575203.db2.gz	JYMXEKKGPHCZKC-NQBHXWOUSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@H]1[C@H](C)C[C@]1(O)CC1(C)CCCC1	306725046	345575309	/nfs/dbraw/zinc/57/53/09/345575309.db2.gz	JYMXEKKGPHCZKC-MDZLAQPJSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@@H]1C[C@](O)(CC2(C)CCCC2)[C@@H]1C	306725181	345575387	/nfs/dbraw/zinc/57/53/87/345575387.db2.gz	JYMXEKKGPHCZKC-WZRBSPASSA-N	0	0	196.334	3.364	10	0		AGAERN
Nc1ccc2c(c1)CC[C@H]2CC1CC1	306724826	345575436	/nfs/dbraw/zinc/57/54/36/345575436.db2.gz	JLPIOROSHNDWGV-JTQLQIEISA-N	0	0	187.286	3.099	10	0		AGAERN
C[C@H]1[C@H](C)C[C@@]1(O)CC1(C)CCCC1	306725180	345575468	/nfs/dbraw/zinc/57/54/68/345575468.db2.gz	JYMXEKKGPHCZKC-NTZNESFSSA-N	0	0	196.334	3.364	10	0		AGAERN
FCc1c(F)cc(F)cc1Cl	306729191	345578651	/nfs/dbraw/zinc/57/86/51/345578651.db2.gz	CTCRKCNFBYSHHH-UHFFFAOYSA-N	0	0	180.556	3.088	10	0		AGAERN
Nc1ccc(C2=CCCCCC2)nc1	306730427	345579200	/nfs/dbraw/zinc/57/92/00/345579200.db2.gz	PIEGRYUXLLBBMD-UHFFFAOYSA-N	0	0	188.274	3.011	10	0		AGAERN
C[Si](C)(C)C[C@@]1(CO)CC=CCC1	306731077	345579474	/nfs/dbraw/zinc/57/94/74/345579474.db2.gz	QGZZQDFYZYQFRB-NSHDSACASA-N	0	0	198.382	3.043	10	0		AGAERN
C[Si](C)(C)C[C@]1(CO)CC=CCC1	306731076	345579483	/nfs/dbraw/zinc/57/94/83/345579483.db2.gz	QGZZQDFYZYQFRB-LLVKDONJSA-N	0	0	198.382	3.043	10	0		AGAERN
Cc1ccc(C(=O)CC2(C)CCC2)o1	306734143	345581728	/nfs/dbraw/zinc/58/17/28/345581728.db2.gz	UKNYVFZNSAFAOX-UHFFFAOYSA-N	0	0	192.258	3.351	10	0		AGAERN
Cc1cc(F)c(F)c2c(C)coc12	306736557	345583694	/nfs/dbraw/zinc/58/36/94/345583694.db2.gz	XPNLYVCJCMBHKF-UHFFFAOYSA-N	0	0	182.169	3.328	10	0		AGAERN
CC(C)[C@H](C)CNc1ccc(O)cc1	306737214	345584071	/nfs/dbraw/zinc/58/40/71/345584071.db2.gz	YOQFUZJYRNSSCI-SNVBAGLBSA-N	0	0	193.290	3.096	10	0		AGAERN
Nc1cc(C2=CCCCCC2)ccn1	306737476	345584075	/nfs/dbraw/zinc/58/40/75/345584075.db2.gz	ZATVQFNHVZEIRI-UHFFFAOYSA-N	0	0	188.274	3.011	10	0		AGAERN
CC(C)[C@@H](C)CNc1ccc(O)cc1	306737213	345584340	/nfs/dbraw/zinc/58/43/40/345584340.db2.gz	YOQFUZJYRNSSCI-JTQLQIEISA-N	0	0	193.290	3.096	10	0		AGAERN
CC(C)C[C@H](C)[C@@H]1C[C@@H](C)CC[C@@H]1O	306738033	345584585	/nfs/dbraw/zinc/58/45/85/345584585.db2.gz	AFEFFXIVBYITCU-CYDGBPFRSA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)C[C@H](C)[C@@H]1C[C@H](C)CC[C@@H]1O	306738047	345584757	/nfs/dbraw/zinc/58/47/57/345584757.db2.gz	AFEFFXIVBYITCU-VOAKCMCISA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)C[C@H](C)[C@@H]1C[C@@H](C)CC[C@H]1O	306738053	345584910	/nfs/dbraw/zinc/58/49/10/345584910.db2.gz	AFEFFXIVBYITCU-ZDEQEGDKSA-N	0	0	198.350	3.466	10	0		AGAERN
CC(C)C[C@H](C)[C@@H]1C[C@H](C)CC[C@H]1O	306738041	345584927	/nfs/dbraw/zinc/58/49/27/345584927.db2.gz	AFEFFXIVBYITCU-MROQNXINSA-N	0	0	198.350	3.466	10	0		AGAERN
Cc1cccc(-c2ccc[nH]2)c1F	306745494	345588609	/nfs/dbraw/zinc/58/86/09/345588609.db2.gz	DEAVWLTWSVJKKC-UHFFFAOYSA-N	0	0	175.206	3.129	10	0		AGAERN
S=c1cncc(C2=CCCCC2)[nH]1	306754483	345592869	/nfs/dbraw/zinc/59/28/69/345592869.db2.gz	KFBSENGIZIDAKN-UHFFFAOYSA-N	0	0	192.287	3.097	10	0		AGAERN
C[C@@H]1CCNc2c(F)cc(Cl)cc21	306760146	345596730	/nfs/dbraw/zinc/59/67/30/345596730.db2.gz	QKECQCTYKPLABM-ZCFIWIBFSA-N	0	0	199.656	3.398	10	0		AGAERN
C[C@H]1CCNc2c(F)cc(Cl)cc21	306760145	345596753	/nfs/dbraw/zinc/59/67/53/345596753.db2.gz	QKECQCTYKPLABM-LURJTMIESA-N	0	0	199.656	3.398	10	0		AGAERN
Cc1cc(C)c(F)c(OC(F)F)c1	306762215	345597991	/nfs/dbraw/zinc/59/79/91/345597991.db2.gz	DLCLVKUKFRCECY-UHFFFAOYSA-N	0	0	190.164	3.044	10	0		AGAERN
Cc1cc(OC(F)F)cc(F)c1C	306762229	345598031	/nfs/dbraw/zinc/59/80/31/345598031.db2.gz	DMNKUOFMXZIVOX-UHFFFAOYSA-N	0	0	190.164	3.044	10	0		AGAERN
Cc1cc(C(F)F)c(C)cc1F	306762709	345598540	/nfs/dbraw/zinc/59/85/40/345598540.db2.gz	DZTXAOLCJCKCPG-UHFFFAOYSA-N	0	0	174.165	3.380	10	0		AGAERN
Cc1ccc(O)cc1C1=CCCC1	306765247	345600479	/nfs/dbraw/zinc/60/04/79/345600479.db2.gz	ZTUGKMMMPADSPS-UHFFFAOYSA-N	0	0	174.243	3.268	10	0		AGAERN
CCCNc1ccsc1Cl	306769765	345603411	/nfs/dbraw/zinc/60/34/11/345603411.db2.gz	AMAJLBJPPLDZQS-UHFFFAOYSA-N	0	0	175.684	3.223	10	0		AGAERN
C[C@@]1(Nc2nccs2)CC=CCC1	306773335	345605566	/nfs/dbraw/zinc/60/55/66/345605566.db2.gz	AGQJPIAIKZIZOF-SNVBAGLBSA-N	0	0	194.303	3.054	10	0		AGAERN
CSc1cc(C)c(C)cc1F	306774214	345606249	/nfs/dbraw/zinc/60/62/49/345606249.db2.gz	JQKAWRHWISGNRR-UHFFFAOYSA-N	0	0	170.252	3.164	10	0		AGAERN
C[C@@H]1CCC[C@H](C(=O)c2ccc[nH]2)C1	306780009	345608883	/nfs/dbraw/zinc/60/88/83/345608883.db2.gz	BPTFAOQXMYKJNP-ZJUUUORDSA-N	0	0	191.274	3.024	10	0		AGAERN
C[C@H]1CCC[C@H](C(=O)c2ccc[nH]2)C1	306780000	345608944	/nfs/dbraw/zinc/60/89/44/345608944.db2.gz	BPTFAOQXMYKJNP-UWVGGRQHSA-N	0	0	191.274	3.024	10	0		AGAERN
C[C@@H]1CCC[C@@H](C(=O)c2ccc[nH]2)C1	306779998	345608958	/nfs/dbraw/zinc/60/89/58/345608958.db2.gz	BPTFAOQXMYKJNP-NXEZZACHSA-N	0	0	191.274	3.024	10	0		AGAERN
C[C@H]1CCC[C@@H](C(=O)c2ccc[nH]2)C1	306780005	345609054	/nfs/dbraw/zinc/60/90/54/345609054.db2.gz	BPTFAOQXMYKJNP-VHSXEESVSA-N	0	0	191.274	3.024	10	0		AGAERN
Cc1ccc(C(F)F)c(C)c1F	306780576	345609624	/nfs/dbraw/zinc/60/96/24/345609624.db2.gz	IZKUFEXBFMYFQE-UHFFFAOYSA-N	0	0	174.165	3.380	10	0		AGAERN
Cc1c(F)ccc(C(F)F)c1C	306780252	345609829	/nfs/dbraw/zinc/60/98/29/345609829.db2.gz	IQPOKLOADQVLNR-UHFFFAOYSA-N	0	0	174.165	3.380	10	0		AGAERN
Cc1cscc1N[C@@H](C)C(F)F	306782637	345611438	/nfs/dbraw/zinc/61/14/38/345611438.db2.gz	FVZIIIVEOSXBFG-LURJTMIESA-N	0	0	191.246	3.122	10	0		AGAERN
Cc1cc(C)c(C(F)(F)F)cc1F	306784091	345612019	/nfs/dbraw/zinc/61/20/19/345612019.db2.gz	LQBGLEXIGFBXSM-UHFFFAOYSA-N	0	0	192.155	3.461	10	0		AGAERN
CSc1c(C)ccc(F)c1C	306784135	345612047	/nfs/dbraw/zinc/61/20/47/345612047.db2.gz	LVNNXVOCRAIEFQ-UHFFFAOYSA-N	0	0	170.252	3.164	10	0		AGAERN
Cc1cc(C2(O)CC(C)(C)C2)cs1	306784754	345612736	/nfs/dbraw/zinc/61/27/36/345612736.db2.gz	MPIDJDBWIJQBSF-UHFFFAOYSA-N	0	0	196.315	3.064	10	0		AGAERN
CCC(C)(C)c1cc(Cl)on1	306787207	345614133	/nfs/dbraw/zinc/61/41/33/345614133.db2.gz	QHVLTYKRXCLEJJ-UHFFFAOYSA-N	0	0	173.643	3.016	10	0		AGAERN
Cc1csc(NC2CC(C)(C)C2)n1	306787098	345614262	/nfs/dbraw/zinc/61/42/62/345614262.db2.gz	PWTCTDWGHGJVAN-UHFFFAOYSA-N	0	0	196.319	3.052	10	0		AGAERN
CSc1cc(C)c(F)cc1C	306790018	345616152	/nfs/dbraw/zinc/61/61/52/345616152.db2.gz	UVHSMUFOXLEIJM-UHFFFAOYSA-N	0	0	170.252	3.164	10	0		AGAERN
Cc1ccc(OC(F)F)c(C)c1F	306791214	345616961	/nfs/dbraw/zinc/61/69/61/345616961.db2.gz	WUYHYNIQGYTCCR-UHFFFAOYSA-N	0	0	190.164	3.044	10	0		AGAERN
Cc1cc(C(F)F)cc(C)c1F	306791964	345618136	/nfs/dbraw/zinc/61/81/36/345618136.db2.gz	ZOMLDJIJPHDPAB-UHFFFAOYSA-N	0	0	174.165	3.380	10	0		AGAERN
Cc1cocc1C(=O)C1(C)CCCC1	306793691	345619284	/nfs/dbraw/zinc/61/92/84/345619284.db2.gz	FGJAQZPNQSNWMD-UHFFFAOYSA-N	0	0	192.258	3.351	10	0		AGAERN
C[C@H]1CC[C@]1(O)CC1CCCCC1	306795614	345620300	/nfs/dbraw/zinc/62/03/00/345620300.db2.gz	VHFFBDBTXWDYJW-JQWIXIFHSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@@H]1CC[C@@]1(O)CC1CCCCC1	306795616	345620393	/nfs/dbraw/zinc/62/03/93/345620393.db2.gz	VHFFBDBTXWDYJW-ZYHUDNBSSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@@H]1CC[C@]1(O)CC1CCCCC1	306795615	345620426	/nfs/dbraw/zinc/62/04/26/345620426.db2.gz	VHFFBDBTXWDYJW-PWSUYJOCSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@H]1CC[C@@]1(O)CC1CCCCC1	306795613	345620437	/nfs/dbraw/zinc/62/04/37/345620437.db2.gz	VHFFBDBTXWDYJW-CMPLNLGQSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1cc([C@@H]2CC(=O)C2(C)C)cs1	306805146	345626052	/nfs/dbraw/zinc/62/60/52/345626052.db2.gz	ZNQRRSYLJBMUIZ-VIFPVBQESA-N	0	0	194.299	3.139	10	0		AGAERN
Cc1cocc1[C@H](O)CC(C)(C)C	306806197	345626055	/nfs/dbraw/zinc/62/60/55/345626055.db2.gz	IZPJPKZLVHVJCP-SNVBAGLBSA-N	0	0	182.263	3.058	10	0		AGAERN
Cc1cc([C@H]2CC(=O)C2(C)C)cs1	306805145	345626132	/nfs/dbraw/zinc/62/61/32/345626132.db2.gz	ZNQRRSYLJBMUIZ-SECBINFHSA-N	0	0	194.299	3.139	10	0		AGAERN
Cc1cocc1[C@@H](O)CC(C)(C)C	306806196	345626157	/nfs/dbraw/zinc/62/61/57/345626157.db2.gz	IZPJPKZLVHVJCP-JTQLQIEISA-N	0	0	182.263	3.058	10	0		AGAERN
Cc1cocc1[C@@H](O)C1CCCCC1	306808379	345627850	/nfs/dbraw/zinc/62/78/50/345627850.db2.gz	OWWDVPGLDYOUBI-LBPRGKRZSA-N	0	0	194.274	3.202	10	0		AGAERN
Cc1cocc1[C@H](O)C1CCCCC1	306808378	345627939	/nfs/dbraw/zinc/62/79/39/345627939.db2.gz	OWWDVPGLDYOUBI-GFCCVEGCSA-N	0	0	194.274	3.202	10	0		AGAERN
Cc1cocc1-c1cccc(C=O)c1	306808902	345628599	/nfs/dbraw/zinc/62/85/99/345628599.db2.gz	QKKYHEASFDZFIS-UHFFFAOYSA-N	0	0	186.210	3.068	10	0		AGAERN
Cc1cocc1C(=O)[C@@H]1CC[C@@H](C)C1	306810653	345629512	/nfs/dbraw/zinc/62/95/12/345629512.db2.gz	UZILCLGWBKONLM-PSASIEDQSA-N	0	0	192.258	3.207	10	0		AGAERN
Cc1cocc1C(=O)[C@H]1CC[C@H](C)C1	306810656	345629541	/nfs/dbraw/zinc/62/95/41/345629541.db2.gz	UZILCLGWBKONLM-WPRPVWTQSA-N	0	0	192.258	3.207	10	0		AGAERN
Cc1cocc1C(=O)[C@@H]1CC[C@H](C)C1	306810655	345629824	/nfs/dbraw/zinc/62/98/24/345629824.db2.gz	UZILCLGWBKONLM-WCBMZHEXSA-N	0	0	192.258	3.207	10	0		AGAERN
Cc1cocc1C(=O)[C@H]1CC[C@@H](C)C1	306810654	345629864	/nfs/dbraw/zinc/62/98/64/345629864.db2.gz	UZILCLGWBKONLM-SCZZXKLOSA-N	0	0	192.258	3.207	10	0		AGAERN
CCOc1ccc(F)c(F)c1Cl	306813388	345631330	/nfs/dbraw/zinc/63/13/30/345631330.db2.gz	BGNRGOHEOUDISZ-UHFFFAOYSA-N	0	0	192.592	3.017	10	0		AGAERN
CCC(CC)SCC1CC1	306814583	345631710	/nfs/dbraw/zinc/63/17/10/345631710.db2.gz	CQZBMVJKVPVAGG-UHFFFAOYSA-N	0	0	158.310	3.318	10	0		AGAERN
CC1(C)CC(Nc2ccsc2)C1	306816480	345632797	/nfs/dbraw/zinc/63/27/97/345632797.db2.gz	DLCLFIOIOCRSQO-UHFFFAOYSA-N	0	0	181.304	3.349	10	0		AGAERN
CCc1sc(NC)nc1C(C)(C)C	306819657	345635118	/nfs/dbraw/zinc/63/51/18/345635118.db2.gz	CXYSLBCSRIEPGH-UHFFFAOYSA-N	0	0	198.335	3.045	10	0		AGAERN
Fc1ccccc1N[C@@H]1CC[C@H]2C[C@H]21	306824087	345638879	/nfs/dbraw/zinc/63/88/79/345638879.db2.gz	SHHWZJOOJKUKED-IQJOONFLSA-N	0	0	191.249	3.036	10	0		AGAERN
CCc1cc(F)c(Cl)cc1F	306829086	345643279	/nfs/dbraw/zinc/64/32/79/345643279.db2.gz	GUOYFWZTTJIFBS-UHFFFAOYSA-N	0	0	176.593	3.181	10	0		AGAERN
CCC1(Nc2cccc(Cl)n2)CC1	306832091	345645280	/nfs/dbraw/zinc/64/52/80/345645280.db2.gz	NQWVNBDZKNHLAJ-UHFFFAOYSA-N	0	0	196.681	3.090	10	0		AGAERN
Cc1cc(C(F)(F)F)c(C)cc1O	306834833	345646986	/nfs/dbraw/zinc/64/69/86/345646986.db2.gz	QHQCPKPQLWGMQW-UHFFFAOYSA-N	0	0	190.164	3.028	10	0		AGAERN
CCc1cc(O)c(Cl)cc1Cl	306837587	345648390	/nfs/dbraw/zinc/64/83/90/345648390.db2.gz	VSEGHTVIHMIIRG-UHFFFAOYSA-N	0	0	191.057	3.261	10	0		AGAERN
Cc1csc(NC2(C(C)C)CC2)n1	306837918	345648758	/nfs/dbraw/zinc/64/87/58/345648758.db2.gz	WQXOHEGGPVBQBF-UHFFFAOYSA-N	0	0	196.319	3.052	10	0		AGAERN
Cc1cc(C)c(OC(F)F)cc1F	306839578	345649277	/nfs/dbraw/zinc/64/92/77/345649277.db2.gz	ZHGFTQLQMJDWPM-UHFFFAOYSA-N	0	0	190.164	3.044	10	0		AGAERN
O=C(c1sccc1F)C1CCCC1	306839497	345649280	/nfs/dbraw/zinc/64/92/80/345649280.db2.gz	YPSIURLOIGLRAY-UHFFFAOYSA-N	0	0	198.262	3.260	10	0		AGAERN
CCC(C)(C)c1csc(=S)[nH]1	306841653	345651270	/nfs/dbraw/zinc/65/12/70/345651270.db2.gz	ANJPSLVFHDBDHT-UHFFFAOYSA-N	0	0	187.333	3.119	10	0		AGAERN
Cc1ccc(F)c(Cl)c1OCF	306845789	345653535	/nfs/dbraw/zinc/65/35/35/345653535.db2.gz	HKAYPOOXIPBGFP-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
CC(=O)[C@@H]1C[C@@H]1[C@@H]1CCCC[C@H]1C	306848403	345655297	/nfs/dbraw/zinc/65/52/97/345655297.db2.gz	MLQPUZIVAJRNFF-KXGXSXBTSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(=O)[C@@H]1C[C@@H]1[C@@H]1CCCC[C@@H]1C	306848406	345655399	/nfs/dbraw/zinc/65/53/99/345655399.db2.gz	MLQPUZIVAJRNFF-ZDDJMSTPSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(=O)[C@@H]1C[C@@H]1[C@H]1CCCC[C@@H]1C	306848405	345655547	/nfs/dbraw/zinc/65/55/47/345655547.db2.gz	MLQPUZIVAJRNFF-PDEGPIFNSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(=O)[C@@H]1C[C@@H]1[C@H]1CCCC[C@H]1C	306848404	345655746	/nfs/dbraw/zinc/65/57/46/345655746.db2.gz	MLQPUZIVAJRNFF-NUGNTBJXSA-N	0	0	180.291	3.038	10	0		AGAERN
FCc1c(Cl)ccc(F)c1F	306850150	345656639	/nfs/dbraw/zinc/65/66/39/345656639.db2.gz	OULHSPGOYBHIBJ-UHFFFAOYSA-N	0	0	180.556	3.088	10	0		AGAERN
CCc1cc(F)cc(Cl)c1C	306850708	345657285	/nfs/dbraw/zinc/65/72/85/345657285.db2.gz	PUZQUIMFLIYKHA-UHFFFAOYSA-N	0	0	172.630	3.350	10	0		AGAERN
Cc1c[nH]c(-c2ccc(Cl)s2)n1	306852821	345658467	/nfs/dbraw/zinc/65/84/67/345658467.db2.gz	SLJYXYZLZAZFSC-UHFFFAOYSA-N	0	0	198.678	3.100	10	0		AGAERN
Cc1[nH+]ccc(NC2(C)CC2)c1Cl	306854773	345659102	/nfs/dbraw/zinc/65/91/02/345659102.db2.gz	AUNYRWINHFNEED-UHFFFAOYSA-N	0	0	196.681	3.008	10	0		AGAERN
CCc1ccc(C(=O)C(C)(C)F)cc1	306857338	345660878	/nfs/dbraw/zinc/66/08/78/345660878.db2.gz	YHXFXOSOSRPCDW-UHFFFAOYSA-N	0	0	194.249	3.180	10	0		AGAERN
Cc1sc(Cl)nc1C(C)(C)C	306856596	345660480	/nfs/dbraw/zinc/66/04/80/345660480.db2.gz	XGEAMQZPZGETDF-UHFFFAOYSA-N	0	0	189.711	3.402	10	0		AGAERN
Cc1sc(=S)[nH]c1[C@@H]1CC1(C)C	306856746	345660761	/nfs/dbraw/zinc/66/07/61/345660761.db2.gz	YNSUXDVZPPURAZ-LURJTMIESA-N	0	0	199.344	3.254	10	0		AGAERN
Clc1cnc(C2=CCCCC2)cn1	306859260	345662919	/nfs/dbraw/zinc/66/29/19/345662919.db2.gz	FAWOWEIFAUFLLZ-UHFFFAOYSA-N	0	0	194.665	3.087	10	0		AGAERN
CC(C)(C)C(=O)c1sccc1F	306861919	345665249	/nfs/dbraw/zinc/66/52/49/345665249.db2.gz	HMXLWEUIBWQOAN-UHFFFAOYSA-N	0	0	186.251	3.116	10	0		AGAERN
Cc1scc(C(=O)C(C)C)c1C	306862421	345666029	/nfs/dbraw/zinc/66/60/29/345666029.db2.gz	IMWHIGHHROOKBH-UHFFFAOYSA-N	0	0	182.288	3.204	10	0		AGAERN
CC(F)(F)C(=O)C1CCCCCC1	306870104	345670040	/nfs/dbraw/zinc/67/00/40/345670040.db2.gz	UYGALWJJNRYJKY-UHFFFAOYSA-N	0	0	190.233	3.181	10	0		AGAERN
O=C1CSC(C2CCCCCC2)=N1	306876782	345673901	/nfs/dbraw/zinc/67/39/01/345673901.db2.gz	CAIHGXFVOGFAQS-UHFFFAOYSA-N	0	0	197.303	3.287	10	0		AGAERN
Cc1nc(Cl)sc1C(C)C	306878134	345674911	/nfs/dbraw/zinc/67/49/11/345674911.db2.gz	CWQWCPCXBWHDQI-UHFFFAOYSA-N	0	0	175.684	3.228	10	0		AGAERN
CCC[C@@H](O)c1cc(C)c(F)cc1C	306879907	345676152	/nfs/dbraw/zinc/67/61/52/345676152.db2.gz	KBZWTZOBZMEOFH-GFCCVEGCSA-N	0	0	196.265	3.276	10	0		AGAERN
CSc1cc(F)cc(C)c1C	306879469	345676343	/nfs/dbraw/zinc/67/63/43/345676343.db2.gz	GHYYJEMFUOPFEX-UHFFFAOYSA-N	0	0	170.252	3.164	10	0		AGAERN
CCC[C@H](O)c1cc(C)c(F)cc1C	306879908	345676359	/nfs/dbraw/zinc/67/63/59/345676359.db2.gz	KBZWTZOBZMEOFH-LBPRGKRZSA-N	0	0	196.265	3.276	10	0		AGAERN
CCCNc1ccc(C(F)F)cc1	306882136	345678884	/nfs/dbraw/zinc/67/88/84/345678884.db2.gz	MVMLCCZBVKZIPD-UHFFFAOYSA-N	0	0	185.217	3.446	10	0		AGAERN
CCOc1cc(F)c(Cl)cc1C	306892716	345688106	/nfs/dbraw/zinc/68/81/06/345688106.db2.gz	HLSFXOUDGJLLEZ-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
CCc1c(Cl)ccc(Cl)c1O	306892736	345688147	/nfs/dbraw/zinc/68/81/47/345688147.db2.gz	HMSAAYKAVOEETH-UHFFFAOYSA-N	0	0	191.057	3.261	10	0		AGAERN
Cc1cc(F)c(Cl)cc1OCF	306893002	345688157	/nfs/dbraw/zinc/68/81/57/345688157.db2.gz	HVLMTQZFBCJFQR-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
COc1ccc(C)c(SC)c1C	306894885	345689058	/nfs/dbraw/zinc/68/90/58/345689058.db2.gz	LNOLUIUUCLUDMA-UHFFFAOYSA-N	0	0	182.288	3.034	10	0		AGAERN
Cc1cc(OC(F)F)cc(C)c1F	306896440	345689734	/nfs/dbraw/zinc/68/97/34/345689734.db2.gz	PTZVUJJNPQJWFI-UHFFFAOYSA-N	0	0	190.164	3.044	10	0		AGAERN
CCc1ccc(C(=O)C(C)(F)F)cc1	306899163	345690741	/nfs/dbraw/zinc/69/07/41/345690741.db2.gz	ZLBOXIXWQICUIC-UHFFFAOYSA-N	0	0	198.212	3.087	10	0		AGAERN
CSc1cc(Cl)cc(F)c1F	306899538	345690869	/nfs/dbraw/zinc/69/08/69/345690869.db2.gz	JXRYGJVCWNOVLS-UHFFFAOYSA-N	0	0	194.633	3.340	10	0		AGAERN
CCOc1cc(F)c(C)c(Cl)c1	306902188	345691851	/nfs/dbraw/zinc/69/18/51/345691851.db2.gz	PUKAGWCZQZGEIJ-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
Cc1ccc(C(F)F)c(F)c1C	306902404	345691977	/nfs/dbraw/zinc/69/19/77/345691977.db2.gz	QEZQZZIZOUMGLY-UHFFFAOYSA-N	0	0	174.165	3.380	10	0		AGAERN
Cc1cc(Cl)c(F)c(OCF)c1	306902632	345692449	/nfs/dbraw/zinc/69/24/49/345692449.db2.gz	QYPSYDJDZMSPKW-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
Cc1cc(F)cc(Cl)c1CF	306905971	345693923	/nfs/dbraw/zinc/69/39/23/345693923.db2.gz	YADFZTCMKKFMLL-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
CSCCc1ccccc1Cl	306909781	345694786	/nfs/dbraw/zinc/69/47/86/345694786.db2.gz	HMRFCZRTNATWCZ-UHFFFAOYSA-N	0	0	186.707	3.246	10	0		AGAERN
CSc1cc(C)cc(C)c1F	306914496	345696433	/nfs/dbraw/zinc/69/64/33/345696433.db2.gz	RRJHKCNVBXIHOP-UHFFFAOYSA-N	0	0	170.252	3.164	10	0		AGAERN
COc1cc(C)cc(SC)c1C	306916451	345696974	/nfs/dbraw/zinc/69/69/74/345696974.db2.gz	XDBIABBJGKTBBZ-UHFFFAOYSA-N	0	0	182.288	3.034	10	0		AGAERN
CSc1c(F)ccc(C)c1C	306917612	345697359	/nfs/dbraw/zinc/69/73/59/345697359.db2.gz	ZSQDUASHSPHDSQ-UHFFFAOYSA-N	0	0	170.252	3.164	10	0		AGAERN
CSc1cc(F)c(C)cc1C	306919176	345698691	/nfs/dbraw/zinc/69/86/91/345698691.db2.gz	JUDOEFQOYQFANV-UHFFFAOYSA-N	0	0	170.252	3.164	10	0		AGAERN
CC(C)c1cccc(C(=O)C2CC2)c1	306920319	345698978	/nfs/dbraw/zinc/69/89/78/345698978.db2.gz	LZHVCKFCNOJNNB-UHFFFAOYSA-N	0	0	188.270	3.403	10	0		AGAERN
Cc1cc(OCF)cc(Cl)c1F	306920692	345699519	/nfs/dbraw/zinc/69/95/19/345699519.db2.gz	NLGMMJWUNHTMSL-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
FCc1c(F)ccc(Cl)c1F	306921618	345699623	/nfs/dbraw/zinc/69/96/23/345699623.db2.gz	RAGGLDIULYHXBV-UHFFFAOYSA-N	0	0	180.556	3.088	10	0		AGAERN
CC(=O)[C@@H]1CCCCC12CCCC2	306922726	345700037	/nfs/dbraw/zinc/70/00/37/345700037.db2.gz	WRDAKQADTKQDNU-NSHDSACASA-N	0	0	180.291	3.326	10	0		AGAERN
CC(=O)[C@H]1CCCCC12CCCC2	306922725	345700310	/nfs/dbraw/zinc/70/03/10/345700310.db2.gz	WRDAKQADTKQDNU-LLVKDONJSA-N	0	0	180.291	3.326	10	0		AGAERN
FCc1cc(F)cc(F)c1Cl	307032727	345767218	/nfs/dbraw/zinc/76/72/18/345767218.db2.gz	RWPNBVMJZREMLP-UHFFFAOYSA-N	0	0	180.556	3.088	10	0		AGAERN
CCc1cc(Cl)c(C)cc1F	306930347	345704523	/nfs/dbraw/zinc/70/45/23/345704523.db2.gz	BRGSJMSHIXNTOT-UHFFFAOYSA-N	0	0	172.630	3.350	10	0		AGAERN
Cc1nccn1CCC1=CCCCC1	306930559	345704526	/nfs/dbraw/zinc/70/45/26/345704526.db2.gz	DCLRBHQSZIFQTP-UHFFFAOYSA-N	0	0	190.290	3.082	10	0		AGAERN
CCc1ccc(Cl)c(F)c1F	306933618	345706255	/nfs/dbraw/zinc/70/62/55/345706255.db2.gz	GCZIVWVTYBFRSC-UHFFFAOYSA-N	0	0	176.593	3.181	10	0		AGAERN
Cc1cc(F)c(OC(F)F)cc1C	306935189	345706606	/nfs/dbraw/zinc/70/66/06/345706606.db2.gz	IAVUIHQAPBKAST-UHFFFAOYSA-N	0	0	190.164	3.044	10	0		AGAERN
Cc1cc(F)cc(C)c1C(F)F	306935619	345707499	/nfs/dbraw/zinc/70/74/99/345707499.db2.gz	INEBMCWSMZVOTI-UHFFFAOYSA-N	0	0	174.165	3.380	10	0		AGAERN
CNc1cc(C(F)F)ccc1Cl	306937909	345708401	/nfs/dbraw/zinc/70/84/01/345708401.db2.gz	GDJQIFAIHBHUFZ-UHFFFAOYSA-N	0	0	191.608	3.319	10	0		AGAERN
Cc1c(Cl)ccc(F)c1CF	306941852	345710154	/nfs/dbraw/zinc/71/01/54/345710154.db2.gz	RLUIQIDANKGTLZ-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
Cc1c(F)cccc1C(=O)C1CCC1	306943211	345710523	/nfs/dbraw/zinc/71/05/23/345710523.db2.gz	VAYRECDTHYWLCM-UHFFFAOYSA-N	0	0	192.233	3.117	10	0		AGAERN
Cc1cc(CF)c(Cl)cc1F	306948239	345713655	/nfs/dbraw/zinc/71/36/55/345713655.db2.gz	SDSILMGYDMKUNN-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
CCC(=O)c1csc2c1CCCC2	306950924	345715632	/nfs/dbraw/zinc/71/56/32/345715632.db2.gz	CBRRQXMGCAPJIN-UHFFFAOYSA-N	0	0	194.299	3.220	10	0		AGAERN
CCc1cc(F)c(C(F)F)cc1F	306960027	345719399	/nfs/dbraw/zinc/71/93/99/345719399.db2.gz	AVWIGXKBMPBFII-UHFFFAOYSA-N	0	0	192.155	3.465	10	0		AGAERN
Nc1cc(C2=CCCC2)ccc1Cl	306963616	345722159	/nfs/dbraw/zinc/72/21/59/345722159.db2.gz	IARGDYONMSZXPZ-UHFFFAOYSA-N	0	0	193.677	3.490	10	0		AGAERN
CCOc1c(Cl)ccc(C)c1F	306967369	345724328	/nfs/dbraw/zinc/72/43/28/345724328.db2.gz	GOLWVNQVQGRQDY-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
Cc1cc(Cl)c(F)cc1OCF	306970500	345725549	/nfs/dbraw/zinc/72/55/49/345725549.db2.gz	JBKGOCNLCJUZIM-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
Cc1nc(NC2CC2)sc1C(C)C	306972943	345727339	/nfs/dbraw/zinc/72/73/39/345727339.db2.gz	UWEGCTLNCLQACI-UHFFFAOYSA-N	0	0	196.319	3.149	10	0		AGAERN
O=C1CCCC[C@H]1CC1=CCCC1	306974020	345727666	/nfs/dbraw/zinc/72/76/66/345727666.db2.gz	WEBIFBROTORGPG-NSHDSACASA-N	0	0	178.275	3.246	10	0		AGAERN
O=C1CCCC[C@@H]1CC1=CCCC1	306974019	345727699	/nfs/dbraw/zinc/72/76/99/345727699.db2.gz	WEBIFBROTORGPG-LLVKDONJSA-N	0	0	178.275	3.246	10	0		AGAERN
CCCc1c(N)ccc(Cl)c1C	306978175	345730794	/nfs/dbraw/zinc/73/07/94/345730794.db2.gz	ZUGNRAFBSFLZPO-UHFFFAOYSA-N	0	0	183.682	3.183	10	0		AGAERN
Cc1cc(Cl)c(F)c(CF)c1	306980938	345732217	/nfs/dbraw/zinc/73/22/17/345732217.db2.gz	PZAVBYPMYDOFLY-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
CCOc1ccc(F)c(Cl)c1C	306984390	345734043	/nfs/dbraw/zinc/73/40/43/345734043.db2.gz	VDTQMTJCOGEQSC-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
C/C=C/CNc1ccsc1Cl	306984873	345734632	/nfs/dbraw/zinc/73/46/32/345734632.db2.gz	VSTIDCXQPRXFSS-NSCUHMNNSA-N	0	0	187.695	3.390	10	0		AGAERN
COc1ccc(Cl)c(Cl)c1C	306990687	345737668	/nfs/dbraw/zinc/73/76/68/345737668.db2.gz	UCFZTFRJVCJWIV-UHFFFAOYSA-N	0	0	191.057	3.310	10	0		AGAERN
CC(C)CSCCCCF	306989722	345737970	/nfs/dbraw/zinc/73/79/70/345737970.db2.gz	HUYFVMRCWQCKRH-UHFFFAOYSA-N	0	0	164.289	3.125	10	0		AGAERN
CCC1(C(=O)c2cc(C)oc2C)CC1	306995410	345740578	/nfs/dbraw/zinc/74/05/78/345740578.db2.gz	QDVDRJFVOYWQPT-UHFFFAOYSA-N	0	0	192.258	3.269	10	0		AGAERN
CC[C@H](C)C(=O)c1cccc(F)c1C	306998447	345742019	/nfs/dbraw/zinc/74/20/19/345742019.db2.gz	BQJIDLCKVGVGTD-QMMMGPOBSA-N	0	0	194.249	3.363	10	0		AGAERN
CC[C@@H](C)C(=O)c1cccc(F)c1C	306998446	345742057	/nfs/dbraw/zinc/74/20/57/345742057.db2.gz	BQJIDLCKVGVGTD-MRVPVSSYSA-N	0	0	194.249	3.363	10	0		AGAERN
C[C@H]1CC[C@@H](C)c2cnc(Cl)nc21	306998943	345742514	/nfs/dbraw/zinc/74/25/14/345742514.db2.gz	YQWAKKUTIIDQNH-RQJHMYQMSA-N	0	0	196.681	3.131	10	0		AGAERN
C[C@H]1CC[C@H](C)c2nc(Cl)ncc21	306998940	345742533	/nfs/dbraw/zinc/74/25/33/345742533.db2.gz	YQWAKKUTIIDQNH-BQBZGAKWSA-N	0	0	196.681	3.131	10	0		AGAERN
C[C@@H]1CC[C@@H](C)c2nc(Cl)ncc21	306998942	345742827	/nfs/dbraw/zinc/74/28/27/345742827.db2.gz	YQWAKKUTIIDQNH-RNFRBKRXSA-N	0	0	196.681	3.131	10	0		AGAERN
C[C@H]1CC[C@@H](C)c2nc(Cl)ncc21	306998941	345742858	/nfs/dbraw/zinc/74/28/58/345742858.db2.gz	YQWAKKUTIIDQNH-NKWVEPMBSA-N	0	0	196.681	3.131	10	0		AGAERN
C[C@H]1CCCC[C@@H]1C(=O)C1CCC1	306999740	345743145	/nfs/dbraw/zinc/74/31/45/345743145.db2.gz	ATJRXCFUWLEUQY-ONGXEEELSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1[C@@H](Nc2ccsc2)C[C@H]1C	306999720	345743157	/nfs/dbraw/zinc/74/31/57/345743157.db2.gz	ABRPXGLTUPPZQP-WEDXCCLWSA-N	0	0	181.304	3.205	10	0		AGAERN
C[C@@H]1CCCC[C@H]1C(=O)C1CCC1	306999737	345743191	/nfs/dbraw/zinc/74/31/91/345743191.db2.gz	ATJRXCFUWLEUQY-MWLCHTKSSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1C[C@H](Nc2ccsc2)[C@@H]1C	306999692	345743259	/nfs/dbraw/zinc/74/32/59/345743259.db2.gz	ABRPXGLTUPPZQP-MRTMQBJTSA-N	0	0	181.304	3.205	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1C(=O)C1CCC1	306999729	345743283	/nfs/dbraw/zinc/74/32/83/345743283.db2.gz	ATJRXCFUWLEUQY-KOLCDFICSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@H]1[C@H](C)C[C@H]1Nc1ccsc1	306999676	345743317	/nfs/dbraw/zinc/74/33/17/345743317.db2.gz	ABRPXGLTUPPZQP-KHQFGBGNSA-N	0	0	181.304	3.205	10	0		AGAERN
C[C@@H]1C[C@@H](Nc2ccsc2)[C@@H]1C	306999705	345743346	/nfs/dbraw/zinc/74/33/46/345743346.db2.gz	ABRPXGLTUPPZQP-NQMVMOMDSA-N	0	0	181.304	3.205	10	0		AGAERN
C[C@H]1CCCC[C@H]1C(=O)C1CCC1	306999722	345743374	/nfs/dbraw/zinc/74/33/74/345743374.db2.gz	ATJRXCFUWLEUQY-GXSJLCMTSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1cc([C@@]2(O)CCC2(C)C)cs1	307002857	345744886	/nfs/dbraw/zinc/74/48/86/345744886.db2.gz	COKRGUWMVXXCKT-NSHDSACASA-N	0	0	196.315	3.064	10	0		AGAERN
Cc1cc([C@]2(O)CCC2(C)C)cs1	307002856	345744980	/nfs/dbraw/zinc/74/49/80/345744980.db2.gz	COKRGUWMVXXCKT-LLVKDONJSA-N	0	0	196.315	3.064	10	0		AGAERN
CCc1c(C)cc(F)cc1Cl	307002048	345744991	/nfs/dbraw/zinc/74/49/91/345744991.db2.gz	ICEWIFJSEFOWAU-UHFFFAOYSA-N	0	0	172.630	3.350	10	0		AGAERN
CC[C@@H](C)CSCC1CC1	307006902	345747947	/nfs/dbraw/zinc/74/79/47/345747947.db2.gz	GHWYSCHQXBVDGS-MRVPVSSYSA-N	0	0	158.310	3.176	10	0		AGAERN
CC[C@H](C)CSCC1CC1	307006904	345748083	/nfs/dbraw/zinc/74/80/83/345748083.db2.gz	GHWYSCHQXBVDGS-QMMMGPOBSA-N	0	0	158.310	3.176	10	0		AGAERN
CSc1cc(F)cc(Cl)c1F	307007847	345748392	/nfs/dbraw/zinc/74/83/92/345748392.db2.gz	LWYLSFXBFVNVGK-UHFFFAOYSA-N	0	0	194.633	3.340	10	0		AGAERN
Cc1cscc1NCCC1CC1	307008262	345749027	/nfs/dbraw/zinc/74/90/27/345749027.db2.gz	HBRGROGUFWYQOD-UHFFFAOYSA-N	0	0	181.304	3.269	10	0		AGAERN
CSc1ccc(Cl)c(F)c1F	307008401	345749072	/nfs/dbraw/zinc/74/90/72/345749072.db2.gz	MIROGYUTJJTLNW-UHFFFAOYSA-N	0	0	194.633	3.340	10	0		AGAERN
Nc1cc(F)cc(-c2ccsc2)c1	307009879	345750093	/nfs/dbraw/zinc/75/00/93/345750093.db2.gz	IIUYFQVIIUJZFU-UHFFFAOYSA-N	0	0	193.246	3.136	10	0		AGAERN
Cc1cc(OCF)cc(F)c1Cl	307016127	345754584	/nfs/dbraw/zinc/75/45/84/345754584.db2.gz	UPXNDUADPRPEJQ-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
C(CSc1ccncc1)=C1CCC1	307023517	345760320	/nfs/dbraw/zinc/76/03/20/345760320.db2.gz	VLAFIUHOVSNWKX-UHFFFAOYSA-N	0	0	191.299	3.284	10	0		AGAERN
Cc1nc(NC(C)C)sc1C(C)C	307023508	345760439	/nfs/dbraw/zinc/76/04/39/345760439.db2.gz	XYHVTGFAYOUWCT-UHFFFAOYSA-N	0	0	198.335	3.395	10	0		AGAERN
Cc1ccc(F)c(C)c1OC(F)F	307025386	345761775	/nfs/dbraw/zinc/76/17/75/345761775.db2.gz	HEAAXOVCNSXCAB-UHFFFAOYSA-N	0	0	190.164	3.044	10	0		AGAERN
CCOc1cc(F)cc(F)c1Cl	307026739	345763267	/nfs/dbraw/zinc/76/32/67/345763267.db2.gz	KIXCEEYCAFCZIY-UHFFFAOYSA-N	0	0	192.592	3.017	10	0		AGAERN
Cc1cc(F)cc(OC(F)F)c1C	307027551	345764564	/nfs/dbraw/zinc/76/45/64/345764564.db2.gz	CSQUOTFSACYKER-UHFFFAOYSA-N	0	0	190.164	3.044	10	0		AGAERN
CCC1CCC([C@@]2(O)C[C@@H]2CC)CC1	307028801	345764868	/nfs/dbraw/zinc/76/48/68/345764868.db2.gz	ITSPMDTWAUTQKO-PYNQCMFNSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC1CCC([C@]2(O)C[C@H]2CC)CC1	307028798	345764917	/nfs/dbraw/zinc/76/49/17/345764917.db2.gz	ITSPMDTWAUTQKO-KPFVRQRISA-N	0	0	196.334	3.364	10	0		AGAERN
CCC1CCC([C@]2(O)C[C@@H]2CC)CC1	307028799	345765149	/nfs/dbraw/zinc/76/51/49/345765149.db2.gz	ITSPMDTWAUTQKO-MVKMKZAISA-N	0	0	196.334	3.364	10	0		AGAERN
CCC1CCC([C@@]2(O)C[C@H]2CC)CC1	307028800	345765236	/nfs/dbraw/zinc/76/52/36/345765236.db2.gz	ITSPMDTWAUTQKO-POOIEITISA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@@H]1CC[C@@H](O)[C@@H](CC2(C)CCC2)C1	307033365	345767736	/nfs/dbraw/zinc/76/77/36/345767736.db2.gz	SNSXOILVMNRKJA-IJLUTSLNSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1cc(F)cc(C)c1OC(F)F	307033438	345767811	/nfs/dbraw/zinc/76/78/11/345767811.db2.gz	SXHOYWOGUKILLH-UHFFFAOYSA-N	0	0	190.164	3.044	10	0		AGAERN
C[C@@H]1CC[C@H](O)[C@@H](CC2(C)CCC2)C1	307033366	345767882	/nfs/dbraw/zinc/76/78/82/345767882.db2.gz	SNSXOILVMNRKJA-UTUOFQBUSA-N	0	0	196.334	3.364	10	0		AGAERN
CCc1cc(C)c(Cl)cc1F	307035238	345768868	/nfs/dbraw/zinc/76/88/68/345768868.db2.gz	WOFXHHWACGMKHC-UHFFFAOYSA-N	0	0	172.630	3.350	10	0		AGAERN
CCC1(Nc2ccc(Cl)cn2)CC1	307035989	345768961	/nfs/dbraw/zinc/76/89/61/345768961.db2.gz	XZDPYGBEFMXZMB-UHFFFAOYSA-N	0	0	196.681	3.090	10	0		AGAERN
Cc1ccccc1N[C@H]1CC[C@@H]2C[C@H]12	307036989	345769391	/nfs/dbraw/zinc/76/93/91/345769391.db2.gz	YDDDDDABWMWCLX-MDZLAQPJSA-N	0	0	187.286	3.205	10	0		AGAERN
CCOc1c(F)ccc(Cl)c1C	307038077	345770628	/nfs/dbraw/zinc/77/06/28/345770628.db2.gz	GUDAMRCCMFRMJT-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
C/C(=C\C1(C)CCCCCC1)CO	307039565	345771863	/nfs/dbraw/zinc/77/18/63/345771863.db2.gz	IGBCZUHNOSFEHU-PKNBQFBNSA-N	0	0	182.307	3.286	10	0		AGAERN
Cc1c(F)ccc(CF)c1Cl	307040985	345772350	/nfs/dbraw/zinc/77/23/50/345772350.db2.gz	NEBGYRDLYNKPIA-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
CC(C)Nc1nccc2ccsc12	307040937	345772418	/nfs/dbraw/zinc/77/24/18/345772418.db2.gz	JZVLHHXILWHWNH-UHFFFAOYSA-N	0	0	192.287	3.117	10	0		AGAERN
Cc1ccc(O)c(C(F)(F)F)c1C	307047398	345776696	/nfs/dbraw/zinc/77/66/96/345776696.db2.gz	ISZZTWMVNIXULF-UHFFFAOYSA-N	0	0	190.164	3.028	10	0		AGAERN
FCc1cc(F)cc(Cl)c1F	307048839	345777792	/nfs/dbraw/zinc/77/77/92/345777792.db2.gz	KBVNEBUHODQPNR-UHFFFAOYSA-N	0	0	180.556	3.088	10	0		AGAERN
CCOc1cc(F)c(Cl)c(F)c1	307050200	345778823	/nfs/dbraw/zinc/77/88/23/345778823.db2.gz	LMGINBIVYKFFJW-UHFFFAOYSA-N	0	0	192.592	3.017	10	0		AGAERN
Cc1cc(F)cc(Cl)c1OCF	307051216	345779449	/nfs/dbraw/zinc/77/94/49/345779449.db2.gz	MTYQMSRYHJQDFG-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
COc1cc(C)cc(C)c1SC	307052946	345780524	/nfs/dbraw/zinc/78/05/24/345780524.db2.gz	PDFDLSBAYLZGLI-UHFFFAOYSA-N	0	0	182.288	3.034	10	0		AGAERN
Cc1c(Cl)cc(F)cc1OCF	307055380	345781828	/nfs/dbraw/zinc/78/18/28/345781828.db2.gz	TWDLLNQHAYLNBE-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
CCC(C)(C)c1csc(Cl)n1	307054927	345782040	/nfs/dbraw/zinc/78/20/40/345782040.db2.gz	YFYJVLSGZJJLBL-UHFFFAOYSA-N	0	0	189.711	3.484	10	0		AGAERN
Cc1csc2c1NCCC2(C)C	307058058	345783950	/nfs/dbraw/zinc/78/39/50/345783950.db2.gz	AWBASVPRXSVPLA-UHFFFAOYSA-N	0	0	181.304	3.150	10	0		AGAERN
Oc1cc(F)ccc1C1=CCCC1	307060687	345786341	/nfs/dbraw/zinc/78/63/41/345786341.db2.gz	JXRCOQBYWNVKQS-UHFFFAOYSA-N	0	0	178.206	3.099	10	0		AGAERN
CC[C@@H]1CCC[C@H]([C@H]2C[C@@H]2C(C)=O)C1	307069576	345791572	/nfs/dbraw/zinc/79/15/72/345791572.db2.gz	UBODVGXORGNOKD-YVECIDJPSA-N	0	0	194.318	3.428	10	0		AGAERN
CC[C@@H]1CCC[C@H]([C@@H]2C[C@H]2C(C)=O)C1	307069574	345791613	/nfs/dbraw/zinc/79/16/13/345791613.db2.gz	UBODVGXORGNOKD-VOAKCMCISA-N	0	0	194.318	3.428	10	0		AGAERN
CC[C@@H]1CCC[C@H]([C@@H]2C[C@@H]2C(C)=O)C1	307069575	345791708	/nfs/dbraw/zinc/79/17/08/345791708.db2.gz	UBODVGXORGNOKD-XQHKEYJVSA-N	0	0	194.318	3.428	10	0		AGAERN
CC[C@@H]1CCC[C@H]([C@H]2C[C@H]2C(C)=O)C1	307069573	345791760	/nfs/dbraw/zinc/79/17/60/345791760.db2.gz	UBODVGXORGNOKD-MROQNXINSA-N	0	0	194.318	3.428	10	0		AGAERN
Cc1c(F)cc(Cl)cc1CF	307070256	345792161	/nfs/dbraw/zinc/79/21/61/345792161.db2.gz	DYBCTDMVGFVTSF-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
C[C@@H]1CC=C(c2ccccc2N)CC1	307070743	345792214	/nfs/dbraw/zinc/79/22/14/345792214.db2.gz	VUKHIBMBNFGOEV-SNVBAGLBSA-N	0	0	187.286	3.472	10	0		AGAERN
C[C@H]1CC=C(c2ccccc2N)CC1	307070738	345792247	/nfs/dbraw/zinc/79/22/47/345792247.db2.gz	VUKHIBMBNFGOEV-JTQLQIEISA-N	0	0	187.286	3.472	10	0		AGAERN
C[C@H]1CCCC[C@H]1c1nc(N)cs1	307071138	345792800	/nfs/dbraw/zinc/79/28/00/345792800.db2.gz	GCHBZZRSAJPOPI-JGVFFNPUSA-N	0	0	196.319	3.019	10	0		AGAERN
C[C@@H]1CCCC[C@H]1c1nc(N)cs1	307071137	345792923	/nfs/dbraw/zinc/79/29/23/345792923.db2.gz	GCHBZZRSAJPOPI-HTQZYQBOSA-N	0	0	196.319	3.019	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1c1nc(N)cs1	307071139	345792934	/nfs/dbraw/zinc/79/29/34/345792934.db2.gz	GCHBZZRSAJPOPI-SFYZADRCSA-N	0	0	196.319	3.019	10	0		AGAERN
C[C@H]1CCCC[C@@H]1c1nc(N)cs1	307071140	345793009	/nfs/dbraw/zinc/79/30/09/345793009.db2.gz	GCHBZZRSAJPOPI-YUMQZZPRSA-N	0	0	196.319	3.019	10	0		AGAERN
O[C@]1(CCC2CC2)CCCC12CCC2	307072417	345793394	/nfs/dbraw/zinc/79/33/94/345793394.db2.gz	IGXXBYPAHXVZEU-ZDUSSCGKSA-N	0	0	194.318	3.262	10	0		AGAERN
Cc1cc(OCF)c(Cl)cc1F	307072151	345793460	/nfs/dbraw/zinc/79/34/60/345793460.db2.gz	HPNAMNSVSDGJKR-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
O[C@@]1(CCC2CC2)CCCC12CCC2	307072416	345793528	/nfs/dbraw/zinc/79/35/28/345793528.db2.gz	IGXXBYPAHXVZEU-CYBMUJFWSA-N	0	0	194.318	3.262	10	0		AGAERN
Cc1cscc1NCC1CCC1	307077400	345796445	/nfs/dbraw/zinc/79/64/45/345796445.db2.gz	MELLTSALWLCKQO-UHFFFAOYSA-N	0	0	181.304	3.269	10	0		AGAERN
c1ccc2oc(SC3CC3)nc2c1	307077650	345797165	/nfs/dbraw/zinc/79/71/65/345797165.db2.gz	GHXJNOXTEVBHPW-UHFFFAOYSA-N	0	0	191.255	3.082	10	0		AGAERN
CS[C@@H](C)c1cccc(F)c1	307079090	345797732	/nfs/dbraw/zinc/79/77/32/345797732.db2.gz	HQWMDYJPNJZRGM-ZETCQYMHSA-N	0	0	170.252	3.250	10	0		AGAERN
CS[C@H](C)c1cccc(F)c1	307079089	345797801	/nfs/dbraw/zinc/79/78/01/345797801.db2.gz	HQWMDYJPNJZRGM-SSDOTTSWSA-N	0	0	170.252	3.250	10	0		AGAERN
C[C@@]1(CC2=CCCC2)CCC(=O)C1	307079930	345798123	/nfs/dbraw/zinc/79/81/23/345798123.db2.gz	GBZXUEJEDXKQJI-LBPRGKRZSA-N	0	0	178.275	3.246	10	0		AGAERN
C[C@]1(CC2=CCCC2)CCC(=O)C1	307079929	345798250	/nfs/dbraw/zinc/79/82/50/345798250.db2.gz	GBZXUEJEDXKQJI-GFCCVEGCSA-N	0	0	178.275	3.246	10	0		AGAERN
CC(C)(F)C1=CSC2=CCCCN21	307084014	345800687	/nfs/dbraw/zinc/80/06/87/345800687.db2.gz	LDEFIBVVZDLZST-UHFFFAOYSA-N	0	0	199.294	3.260	10	0		AGAERN
CCNc1cc(F)c(F)cc1Cl	307084287	345800751	/nfs/dbraw/zinc/80/07/51/345800751.db2.gz	LGLPKFQIJPQPTL-UHFFFAOYSA-N	0	0	191.608	3.050	10	0		AGAERN
Cc1cccc(F)c1OC(F)(F)F	307087532	345802170	/nfs/dbraw/zinc/80/21/70/345802170.db2.gz	RUZAIKFSWYSMCP-UHFFFAOYSA-N	0	0	194.127	3.033	10	0		AGAERN
CCC1(Nc2ccnc(Cl)c2)CC1	307090173	345804165	/nfs/dbraw/zinc/80/41/65/345804165.db2.gz	WAQRYFJZERHLGP-UHFFFAOYSA-N	0	0	196.681	3.090	10	0		AGAERN
Cc1cc(C)c(C(F)F)cc1F	307091023	345804874	/nfs/dbraw/zinc/80/48/74/345804874.db2.gz	QLMCFVQDXDAYCY-UHFFFAOYSA-N	0	0	174.165	3.380	10	0		AGAERN
COc1cc(Cl)cc(C)c1Cl	307092532	345805918	/nfs/dbraw/zinc/80/59/18/345805918.db2.gz	RYGNKGZOEOVZNW-UHFFFAOYSA-N	0	0	191.057	3.310	10	0		AGAERN
Cc1cc(CF)cc(F)c1Cl	307092756	345805961	/nfs/dbraw/zinc/80/59/61/345805961.db2.gz	BSMHGMYXFDKGSS-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
Cc1ccc(Cl)c(CF)c1F	307093260	345805966	/nfs/dbraw/zinc/80/59/66/345805966.db2.gz	CPUKAZRDNOBGIY-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
CCOc1cc(Cl)cc(F)c1F	307095047	345806950	/nfs/dbraw/zinc/80/69/50/345806950.db2.gz	FYQZYZLDWYUDSB-UHFFFAOYSA-N	0	0	192.592	3.017	10	0		AGAERN
CCc1cc(F)cc(Cl)c1F	307095638	345807071	/nfs/dbraw/zinc/80/70/71/345807071.db2.gz	CUDJURFQAHJURW-UHFFFAOYSA-N	0	0	176.593	3.181	10	0		AGAERN
Cc1cc(Cl)c(F)cc1CF	307096034	345807560	/nfs/dbraw/zinc/80/75/60/345807560.db2.gz	DEJQFJHBGPYHFA-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
CCc1ccc(F)c(C)c1C	307098450	345808608	/nfs/dbraw/zinc/80/86/08/345808608.db2.gz	GXNMCRRXFAIRTC-UHFFFAOYSA-N	0	0	152.212	3.005	10	0		AGAERN
CC(C)C(O)(c1ccsc1)C(C)C	307101654	345810270	/nfs/dbraw/zinc/81/02/70/345810270.db2.gz	ACTUWJMRMYNEEH-UHFFFAOYSA-N	0	0	198.331	3.248	10	0		AGAERN
CCc1cc(F)cc(F)c1Cl	307102274	345810647	/nfs/dbraw/zinc/81/06/47/345810647.db2.gz	BWKCLISTKGSMCL-UHFFFAOYSA-N	0	0	176.593	3.181	10	0		AGAERN
COc1cc(C)c(C)c(SC)c1	307107964	345813591	/nfs/dbraw/zinc/81/35/91/345813591.db2.gz	LOZBZUDCHSJIAX-UHFFFAOYSA-N	0	0	182.288	3.034	10	0		AGAERN
CC(C)(C)ON[C@H]1CCCC12CCC2	307108576	345814460	/nfs/dbraw/zinc/81/44/60/345814460.db2.gz	AYHDUJOXJZTREG-JTQLQIEISA-N	0	0	197.322	3.029	10	0		AGAERN
CC[C@@H]1C[C@H]1C(=O)c1cccc(F)c1	307108223	345814490	/nfs/dbraw/zinc/81/44/90/345814490.db2.gz	JWCKDFQNMVXIFU-LDYMZIIASA-N	0	0	192.233	3.055	10	0		AGAERN
CC(C)(C)ON[C@@H]1CCCC12CCC2	307108584	345814538	/nfs/dbraw/zinc/81/45/38/345814538.db2.gz	AYHDUJOXJZTREG-SNVBAGLBSA-N	0	0	197.322	3.029	10	0		AGAERN
C/C=C/CSc1ccccc1F	307109966	345815642	/nfs/dbraw/zinc/81/56/42/345815642.db2.gz	BLFLHINVSZIZLZ-NSCUHMNNSA-N	0	0	182.263	3.494	10	0		AGAERN
Cc1cc(O)cc(C(F)(F)F)c1C	307114541	345817857	/nfs/dbraw/zinc/81/78/57/345817857.db2.gz	SLPHOCPTWXJGAK-UHFFFAOYSA-N	0	0	190.164	3.028	10	0		AGAERN
CCc1cc(C)sc1[C@H](O)CC	307115273	345818005	/nfs/dbraw/zinc/81/80/05/345818005.db2.gz	NXFGEYSDVZXZQZ-SECBINFHSA-N	0	0	184.304	3.062	10	0		AGAERN
C[C@H](CNc1ccccc1)C(C)(F)F	307115489	345818513	/nfs/dbraw/zinc/81/85/13/345818513.db2.gz	WEBCAHXXFXZPDN-SECBINFHSA-N	0	0	199.244	3.390	10	0		AGAERN
O=Cc1ccc(C2=CCCC2)c(F)c1	307115503	345818555	/nfs/dbraw/zinc/81/85/55/345818555.db2.gz	WFFZYAOKCYBFSX-UHFFFAOYSA-N	0	0	190.217	3.206	10	0		AGAERN
C[C@@H](CNc1ccccc1)C(C)(F)F	307115490	345818601	/nfs/dbraw/zinc/81/86/01/345818601.db2.gz	WEBCAHXXFXZPDN-VIFPVBQESA-N	0	0	199.244	3.390	10	0		AGAERN
CSc1ccc(C)c(F)c1C	307119358	345820171	/nfs/dbraw/zinc/82/01/71/345820171.db2.gz	ZANJUSJZLDFBSO-UHFFFAOYSA-N	0	0	170.252	3.164	10	0		AGAERN
CC(C)(F)C(=O)CC1CCCCC1	307119269	345820208	/nfs/dbraw/zinc/82/02/08/345820208.db2.gz	RTSFMGDNRMVUOZ-UHFFFAOYSA-N	0	0	186.270	3.274	10	0		AGAERN
Cc1sc(=S)[nH]c1C1CCCC1	307122910	345822197	/nfs/dbraw/zinc/82/21/97/345822197.db2.gz	WQGDUIWWZFPHAE-UHFFFAOYSA-N	0	0	199.344	3.398	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1[C@H](O)CC1CCC1	307126297	345824004	/nfs/dbraw/zinc/82/40/04/345824004.db2.gz	ALZPOQNXNOZEOM-KGYLQXTDSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@@H]1CCCC[C@H]1[C@@H](O)CC1CCC1	307126302	345824367	/nfs/dbraw/zinc/82/43/67/345824367.db2.gz	ALZPOQNXNOZEOM-RTXFEEFZSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1[C@@H](O)CC1CCC1	307126304	345824383	/nfs/dbraw/zinc/82/43/83/345824383.db2.gz	ALZPOQNXNOZEOM-WXHSDQCUSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@@H]1CCCC[C@H]1[C@H](O)CC1CCC1	307126299	345824389	/nfs/dbraw/zinc/82/43/89/345824389.db2.gz	ALZPOQNXNOZEOM-RAIGVLPGSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)=CCNc1cscc1C	307130318	345827638	/nfs/dbraw/zinc/82/76/38/345827638.db2.gz	FQPKXULVAOJBQX-UHFFFAOYSA-N	0	0	181.304	3.435	10	0		AGAERN
CC[C@@H](O)CC1CCC(C)(C)CC1	307133097	345829173	/nfs/dbraw/zinc/82/91/73/345829173.db2.gz	MNALKOJAXOFGDJ-LLVKDONJSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](O)CC1CCC(C)(C)CC1	307133098	345829215	/nfs/dbraw/zinc/82/92/15/345829215.db2.gz	MNALKOJAXOFGDJ-NSHDSACASA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1nc2c(s1)C[C@@H](C(C)C)CC2	307133345	345829263	/nfs/dbraw/zinc/82/92/63/345829263.db2.gz	MRSCYSCYMUMZNV-VIFPVBQESA-N	0	0	195.331	3.212	10	0		AGAERN
Cc1nc2c(s1)C[C@H](C(C)C)CC2	307133344	345829546	/nfs/dbraw/zinc/82/95/46/345829546.db2.gz	MRSCYSCYMUMZNV-SECBINFHSA-N	0	0	195.331	3.212	10	0		AGAERN
C[C@@H]1CC[C@@H]([C@@H](O)CC2(C)CCC2)C1	307141475	345834443	/nfs/dbraw/zinc/83/44/43/345834443.db2.gz	ITIKIRNYDULGOM-UTUOFQBUSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@@H]1CC[C@H]([C@H](O)CC2(C)CCC2)C1	307141472	345834644	/nfs/dbraw/zinc/83/46/44/345834644.db2.gz	ITIKIRNYDULGOM-GRYCIOLGSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@@H]1CC[C@@H]([C@H](O)CC2(C)CCC2)C1	307141473	345834681	/nfs/dbraw/zinc/83/46/81/345834681.db2.gz	ITIKIRNYDULGOM-IJLUTSLNSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1cc(Cl)nnc1C1CCCC1	307141774	345835096	/nfs/dbraw/zinc/83/50/96/345835096.db2.gz	DQVKBYVMHBJNLG-UHFFFAOYSA-N	0	0	196.681	3.096	10	0		AGAERN
C[C@@H]1CC[C@H]([C@@H](O)CC2(C)CCC2)C1	307141476	345835185	/nfs/dbraw/zinc/83/51/85/345835185.db2.gz	ITIKIRNYDULGOM-WOPDTQHZSA-N	0	0	196.334	3.364	10	0		AGAERN
FC(F)c1ccc(NC2CC2)cc1	307142527	345835844	/nfs/dbraw/zinc/83/58/44/345835844.db2.gz	FHSVPTXBQZZLJI-UHFFFAOYSA-N	0	0	183.201	3.199	10	0		AGAERN
Cc1cscc1NCC(F)(F)F	307142365	345835899	/nfs/dbraw/zinc/83/58/99/345835899.db2.gz	JNKDOOIKLWKEGQ-UHFFFAOYSA-N	0	0	195.209	3.031	10	0		AGAERN
S=c1[nH]cncc1C1=CCCCC1	307143563	345837226	/nfs/dbraw/zinc/83/72/26/345837226.db2.gz	GRNPOUHMBBVJGM-UHFFFAOYSA-N	0	0	192.287	3.097	10	0		AGAERN
CCCc1sc(Cl)c(N)c1C	307144357	345837533	/nfs/dbraw/zinc/83/75/33/345837533.db2.gz	LUJJHDMTSORWST-UHFFFAOYSA-N	0	0	189.711	3.245	10	0		AGAERN
CC(C)C[C@H](C)[C@]1(O)CC[C@@H](C)C1	307146517	345839320	/nfs/dbraw/zinc/83/93/20/345839320.db2.gz	HCZLLEHHYWDGNL-WOPDTQHZSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@H](C)[C@]1(O)CC[C@H](C)C1	307146514	345839279	/nfs/dbraw/zinc/83/92/79/345839279.db2.gz	HCZLLEHHYWDGNL-SRVKXCTJSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@H](C)[C@@]1(O)CC[C@H](C)C1	307146513	345839532	/nfs/dbraw/zinc/83/95/32/345839532.db2.gz	HCZLLEHHYWDGNL-SDDRHHMPSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)C[C@H](C)[C@@]1(O)CC[C@@H](C)C1	307146511	345839538	/nfs/dbraw/zinc/83/95/38/345839538.db2.gz	HCZLLEHHYWDGNL-GRYCIOLGSA-N	0	0	184.323	3.220	10	0		AGAERN
Cc1coc(S[C@@H]2C=CCCC2)n1	307147019	345839832	/nfs/dbraw/zinc/83/98/32/345839832.db2.gz	HNQFSTADIDIIJV-SECBINFHSA-N	0	0	195.287	3.184	10	0		AGAERN
CC[C@H](C)[C@@]1(O)CCCC12CCC2	307146607	345840011	/nfs/dbraw/zinc/84/00/11/345840011.db2.gz	HGKZUSXTXBBYBU-JQWIXIFHSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@H](C)[C@]1(O)CCCC12CCC2	307146606	345840116	/nfs/dbraw/zinc/84/01/16/345840116.db2.gz	HGKZUSXTXBBYBU-CMPLNLGQSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@@H](C)[C@]1(O)CCCC12CCC2	307146610	345840177	/nfs/dbraw/zinc/84/01/77/345840177.db2.gz	HGKZUSXTXBBYBU-ZYHUDNBSSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1coc(S[C@H]2C=CCCC2)n1	307147020	345840183	/nfs/dbraw/zinc/84/01/83/345840183.db2.gz	HNQFSTADIDIIJV-VIFPVBQESA-N	0	0	195.287	3.184	10	0		AGAERN
CC[C@@H](C)[C@@]1(O)CCCC12CCC2	307146609	345840227	/nfs/dbraw/zinc/84/02/27/345840227.db2.gz	HGKZUSXTXBBYBU-PWSUYJOCSA-N	0	0	182.307	3.118	10	0		AGAERN
CCOc1cccc2c1NCC[C@H]2C	307150619	345842746	/nfs/dbraw/zinc/84/27/46/345842746.db2.gz	ULAYUFVQPNVBCT-SECBINFHSA-N	0	0	191.274	3.004	10	0		AGAERN
CC(C)c1nc(-c2ccc[nH]2)cs1	307151900	345845229	/nfs/dbraw/zinc/84/52/29/345845229.db2.gz	FVOXXMQKSQDCGB-UHFFFAOYSA-N	0	0	192.287	3.262	10	0		AGAERN
Cc1cc(F)c(Cl)c(CF)c1	307152895	345845790	/nfs/dbraw/zinc/84/57/90/345845790.db2.gz	AZWRMHOVDQWESD-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
Cc1cc(C)c(C(F)(F)F)c(O)c1	307158352	345850357	/nfs/dbraw/zinc/85/03/57/345850357.db2.gz	ATVROMFWHRXGHR-UHFFFAOYSA-N	0	0	190.164	3.028	10	0		AGAERN
CCc1ccc(F)c(Cl)c1C	307159217	345851015	/nfs/dbraw/zinc/85/10/15/345851015.db2.gz	UDMBCMHYRPGHFN-UHFFFAOYSA-N	0	0	172.630	3.350	10	0		AGAERN
CC[C@](O)(C1CCCC1)C1CCC1	307164675	345856498	/nfs/dbraw/zinc/85/64/98/345856498.db2.gz	MOHZDSCQKXXPRH-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@@](O)(C1CCCC1)C1CCC1	307164666	345856530	/nfs/dbraw/zinc/85/65/30/345856530.db2.gz	MOHZDSCQKXXPRH-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
CCCC(=O)c1csc(Cl)c1	307165381	345857112	/nfs/dbraw/zinc/85/71/12/345857112.db2.gz	NDFXYPWYNRPVSD-UHFFFAOYSA-N	0	0	188.679	3.384	10	0		AGAERN
CC(C)C(=O)[C@H]1CCCC12CCC2	307168778	345861018	/nfs/dbraw/zinc/86/10/18/345861018.db2.gz	VYAHPBNGRJKYNF-SNVBAGLBSA-N	0	0	180.291	3.182	10	0		AGAERN
FC(F)CNc1ccsc1Cl	307168614	345861037	/nfs/dbraw/zinc/86/10/37/345861037.db2.gz	VQWXKOYSINSLKL-UHFFFAOYSA-N	0	0	197.637	3.079	10	0		AGAERN
Cc1nc(Cl)ncc1CC(C)(C)C	307168672	345861196	/nfs/dbraw/zinc/86/11/96/345861196.db2.gz	VWTRFMZWOHKKEA-UHFFFAOYSA-N	0	0	198.697	3.027	10	0		AGAERN
CC(C)C(=O)[C@@H]1CCCC12CCC2	307168777	345861272	/nfs/dbraw/zinc/86/12/72/345861272.db2.gz	VYAHPBNGRJKYNF-JTQLQIEISA-N	0	0	180.291	3.182	10	0		AGAERN
CC(C)=C[C@H](O)c1csc(C)c1	307169431	345862257	/nfs/dbraw/zinc/86/22/57/345862257.db2.gz	YFFGMLWUKMTHJO-JTQLQIEISA-N	0	0	182.288	3.056	10	0		AGAERN
CC(C)=C[C@@H](O)c1csc(C)c1	307169432	345862421	/nfs/dbraw/zinc/86/24/21/345862421.db2.gz	YFFGMLWUKMTHJO-SNVBAGLBSA-N	0	0	182.288	3.056	10	0		AGAERN
COC(=O)C1CC(C)(C)CC(C)(C)C1	307170293	345863067	/nfs/dbraw/zinc/86/30/67/345863067.db2.gz	AJJPCBPYDDXREH-UHFFFAOYSA-N	0	0	198.306	3.012	10	0		AGAERN
Cc1c(F)cc(F)cc1C(F)(F)F	307176601	345866686	/nfs/dbraw/zinc/86/66/86/345866686.db2.gz	YLMJVOFBEFVCIF-UHFFFAOYSA-N	0	0	196.118	3.292	10	0		AGAERN
Cc1c(F)cc(CF)cc1Cl	307177258	345867187	/nfs/dbraw/zinc/86/71/87/345867187.db2.gz	HYRTZNSWEAGMSC-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
CCc1ccc(C)c(F)c1C	307177145	345867425	/nfs/dbraw/zinc/86/74/25/345867425.db2.gz	WBDYISVJMNUCLY-UHFFFAOYSA-N	0	0	152.212	3.005	10	0		AGAERN
CCCc1ccc(C(F)F)cc1N	307178314	345868563	/nfs/dbraw/zinc/86/85/63/345868563.db2.gz	KCNKFWCUZKOKOE-UHFFFAOYSA-N	0	0	185.217	3.159	10	0		AGAERN
Cc1cc(F)cc(C(=O)C(C)(C)F)c1	307178600	345868622	/nfs/dbraw/zinc/86/86/22/345868622.db2.gz	KKKBUILDKPIVHY-UHFFFAOYSA-N	0	0	198.212	3.065	10	0		AGAERN
C[C@@H]1C[C@H]1[C@@H](C)Nc1ccsc1	307179410	345868868	/nfs/dbraw/zinc/86/88/68/345868868.db2.gz	LWRCEVLZXUGRIV-NQMVMOMDSA-N	0	0	181.304	3.205	10	0		AGAERN
CCc1cc(C)cc(C)c1F	307179443	345868920	/nfs/dbraw/zinc/86/89/20/345868920.db2.gz	MCBRHLGOJLJVKE-UHFFFAOYSA-N	0	0	152.212	3.005	10	0		AGAERN
C[C@H](Nc1ccsc1)[C@@H]1C[C@H]1C	307179408	345869058	/nfs/dbraw/zinc/86/90/58/345869058.db2.gz	LWRCEVLZXUGRIV-KHQFGBGNSA-N	0	0	181.304	3.205	10	0		AGAERN
C[C@@H]1C[C@@H]1[C@@H](C)Nc1ccsc1	307179409	345869224	/nfs/dbraw/zinc/86/92/24/345869224.db2.gz	LWRCEVLZXUGRIV-MRTMQBJTSA-N	0	0	181.304	3.205	10	0		AGAERN
C[C@H](Nc1ccsc1)[C@H]1C[C@H]1C	307179411	345869280	/nfs/dbraw/zinc/86/92/80/345869280.db2.gz	LWRCEVLZXUGRIV-WEDXCCLWSA-N	0	0	181.304	3.205	10	0		AGAERN
C=Cc1ccc(C(=O)C2CCC2)cc1	307181026	345870340	/nfs/dbraw/zinc/87/03/40/345870340.db2.gz	QJZAZLDOTNGCGZ-UHFFFAOYSA-N	0	0	186.254	3.312	10	0		AGAERN
CC(C)/C(=C/[C@@H]1CCCC[C@@H]1C)CO	307185164	345873619	/nfs/dbraw/zinc/87/36/19/345873619.db2.gz	ROLWRTKFNAXOHB-VKXYGBLQSA-N	0	0	196.334	3.387	10	0		AGAERN
C[C@H]1CCc2sc(C(C)(C)C)nc21	307185874	345873697	/nfs/dbraw/zinc/87/36/97/345873697.db2.gz	KEJPXLZKIXTLSZ-ZETCQYMHSA-N	0	0	195.331	3.490	10	0		AGAERN
CC(C)/C(=C/[C@@H]1CCCC[C@H]1C)CO	307185163	345873915	/nfs/dbraw/zinc/87/39/15/345873915.db2.gz	ROLWRTKFNAXOHB-DQSXNGOJSA-N	0	0	196.334	3.387	10	0		AGAERN
C[C@@H]1CCc2sc(C(C)(C)C)nc21	307185872	345873911	/nfs/dbraw/zinc/87/39/11/345873911.db2.gz	KEJPXLZKIXTLSZ-SSDOTTSWSA-N	0	0	195.331	3.490	10	0		AGAERN
O[C@@H](C1=CCCC1)c1sccc1F	307206063	345889685	/nfs/dbraw/zinc/88/96/85/345889685.db2.gz	KHTRNGCUPNDNPL-VIFPVBQESA-N	0	0	198.262	3.031	10	0		AGAERN
O[C@H](C1=CCCC1)c1sccc1F	307206062	345889863	/nfs/dbraw/zinc/88/98/63/345889863.db2.gz	KHTRNGCUPNDNPL-SECBINFHSA-N	0	0	198.262	3.031	10	0		AGAERN
C(CNc1ccccc1)=C1CCC1	307210998	345893866	/nfs/dbraw/zinc/89/38/66/345893866.db2.gz	RWPILKKXMLYYNC-UHFFFAOYSA-N	0	0	173.259	3.209	10	0		AGAERN
CCNc1ccsc1C(F)(F)F	307211484	345895050	/nfs/dbraw/zinc/89/50/50/345895050.db2.gz	STYNRTGABROGKL-UHFFFAOYSA-N	0	0	195.209	3.199	10	0		AGAERN
CSCc1ccc(C)c(C)c1	307215451	345896657	/nfs/dbraw/zinc/89/66/57/345896657.db2.gz	DWDFDMGAUOSCSM-UHFFFAOYSA-N	0	0	166.289	3.166	10	0		AGAERN
CCOc1cc(F)cc(C)c1Cl	307215881	345897088	/nfs/dbraw/zinc/89/70/88/345897088.db2.gz	SUJSCILTPAFSSA-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
CC[C@H](C)Nc1cccc(N)c1Cl	307226253	345904185	/nfs/dbraw/zinc/90/41/85/345904185.db2.gz	VMQAQBTTYISMHG-ZETCQYMHSA-N	0	0	198.697	3.133	10	0		AGAERN
CCSCc1csc(Cl)n1	307226872	345904053	/nfs/dbraw/zinc/90/40/53/345904053.db2.gz	GMIGJWOVTVWAAY-UHFFFAOYSA-N	0	0	193.724	3.050	10	0		AGAERN
CC[C@@H](C)Nc1cccc(N)c1Cl	307226252	345904131	/nfs/dbraw/zinc/90/41/31/345904131.db2.gz	VMQAQBTTYISMHG-SSDOTTSWSA-N	0	0	198.697	3.133	10	0		AGAERN
CCNc1cc(Cl)c(C)cc1F	307232083	345909142	/nfs/dbraw/zinc/90/91/42/345909142.db2.gz	BRGNOFXMBZDZOT-UHFFFAOYSA-N	0	0	187.645	3.219	10	0		AGAERN
Cc1cccc([C@@H](C)[C@H](O)C(C)C)c1	307233718	345910719	/nfs/dbraw/zinc/91/07/19/345910719.db2.gz	QSCPOHWIZQPQLM-DGCLKSJQSA-N	0	0	192.302	3.115	10	0		AGAERN
Cc1cccc([C@H](C)[C@H](O)C(C)C)c1	307233723	345910736	/nfs/dbraw/zinc/91/07/36/345910736.db2.gz	QSCPOHWIZQPQLM-WCQYABFASA-N	0	0	192.302	3.115	10	0		AGAERN
Cc1cccc([C@H](C)[C@@H](O)C(C)C)c1	307233716	345910838	/nfs/dbraw/zinc/91/08/38/345910838.db2.gz	QSCPOHWIZQPQLM-AAEUAGOBSA-N	0	0	192.302	3.115	10	0		AGAERN
Cc1cccc([C@@H](C)[C@@H](O)C(C)C)c1	307233729	345911068	/nfs/dbraw/zinc/91/10/68/345911068.db2.gz	QSCPOHWIZQPQLM-YPMHNXCESA-N	0	0	192.302	3.115	10	0		AGAERN
CCc1cc(C)c(C)c(F)c1	307235015	345911457	/nfs/dbraw/zinc/91/14/57/345911457.db2.gz	MWLCISYOCLHBDR-UHFFFAOYSA-N	0	0	152.212	3.005	10	0		AGAERN
Cc1cc(NC2CC2)c(Cl)cc1F	307234436	345911502	/nfs/dbraw/zinc/91/15/02/345911502.db2.gz	DVXDPISXSRMARC-UHFFFAOYSA-N	0	0	199.656	3.362	10	0		AGAERN
CC[C@@H]1C(=O)C[C@H]1c1csc(C)c1	307236870	345913032	/nfs/dbraw/zinc/91/30/32/345913032.db2.gz	OAOKSMHCHRHHSQ-UWVGGRQHSA-N	0	0	194.299	3.139	10	0		AGAERN
CC[C@H]1C(=O)C[C@@H]1c1csc(C)c1	307236869	345913088	/nfs/dbraw/zinc/91/30/88/345913088.db2.gz	OAOKSMHCHRHHSQ-NXEZZACHSA-N	0	0	194.299	3.139	10	0		AGAERN
CC[C@H]1C(=O)C[C@H]1c1csc(C)c1	307236872	345913198	/nfs/dbraw/zinc/91/31/98/345913198.db2.gz	OAOKSMHCHRHHSQ-ZJUUUORDSA-N	0	0	194.299	3.139	10	0		AGAERN
Cc1cc(-c2csc(C)n2)c(C)o1	307236780	345913199	/nfs/dbraw/zinc/91/31/99/345913199.db2.gz	WAEKKKASZPJFDT-UHFFFAOYSA-N	0	0	193.271	3.328	10	0		AGAERN
CCCc1cc(Cl)c(F)cc1N	307237206	345913209	/nfs/dbraw/zinc/91/32/09/345913209.db2.gz	WNEJYVCVZKVYJJ-UHFFFAOYSA-N	0	0	187.645	3.014	10	0		AGAERN
CC[C@@H]1C(=O)C[C@@H]1c1csc(C)c1	307236871	345913210	/nfs/dbraw/zinc/91/32/10/345913210.db2.gz	OAOKSMHCHRHHSQ-VHSXEESVSA-N	0	0	194.299	3.139	10	0		AGAERN
CC[C@@]1(C)C[C@H]1Nc1nc(C)cs1	307237833	345913489	/nfs/dbraw/zinc/91/34/89/345913489.db2.gz	FMAQCKIPROGBTR-SCZZXKLOSA-N	0	0	196.319	3.052	10	0		AGAERN
CC[C@]1(C)C[C@@H]1Nc1nc(C)cs1	307237835	345913659	/nfs/dbraw/zinc/91/36/59/345913659.db2.gz	FMAQCKIPROGBTR-WCBMZHEXSA-N	0	0	196.319	3.052	10	0		AGAERN
CC[C@]1(C)C[C@H]1Nc1nc(C)cs1	307237832	345913720	/nfs/dbraw/zinc/91/37/20/345913720.db2.gz	FMAQCKIPROGBTR-PSASIEDQSA-N	0	0	196.319	3.052	10	0		AGAERN
CC[C@@]1(C)C[C@@H]1Nc1nc(C)cs1	307238232	345913997	/nfs/dbraw/zinc/91/39/97/345913997.db2.gz	FMAQCKIPROGBTR-WPRPVWTQSA-N	0	0	196.319	3.052	10	0		AGAERN
C[C@H]1CCCC[C@H]1C(=O)C(C)(C)C	307242771	345916945	/nfs/dbraw/zinc/91/69/45/345916945.db2.gz	JNGFOEZHVSLTNY-VHSXEESVSA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1C(=O)C(C)(C)C	307242772	345917062	/nfs/dbraw/zinc/91/70/62/345917062.db2.gz	JNGFOEZHVSLTNY-ZJUUUORDSA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@H]1CCCC[C@@H]1C(=O)C(C)(C)C	307242769	345917243	/nfs/dbraw/zinc/91/72/43/345917243.db2.gz	JNGFOEZHVSLTNY-UWVGGRQHSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)(Nc1nccs1)C1CCC1	307242909	345917299	/nfs/dbraw/zinc/91/72/99/345917299.db2.gz	IUAKSZMBYXTRDJ-UHFFFAOYSA-N	0	0	196.319	3.134	10	0		AGAERN
C[C@@H]1CCCC[C@H]1C(=O)C(C)(C)C	307242767	345917352	/nfs/dbraw/zinc/91/73/52/345917352.db2.gz	JNGFOEZHVSLTNY-NXEZZACHSA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@@H]1CCC[C@@H]1c1nccc(=S)[nH]1	307243625	345917763	/nfs/dbraw/zinc/91/77/63/345917763.db2.gz	KEHOAKSXVFUWDR-SFYZADRCSA-N	0	0	194.303	3.043	10	0		AGAERN
C[C@@H]1CCC[C@H]1c1nccc(=S)[nH]1	307243623	345917767	/nfs/dbraw/zinc/91/77/67/345917767.db2.gz	KEHOAKSXVFUWDR-HTQZYQBOSA-N	0	0	194.303	3.043	10	0		AGAERN
C[C@H]1CCC[C@H]1c1nccc(=S)[nH]1	307243624	345917779	/nfs/dbraw/zinc/91/77/79/345917779.db2.gz	KEHOAKSXVFUWDR-JGVFFNPUSA-N	0	0	194.303	3.043	10	0		AGAERN
C[C@H]1CCC[C@@H]1c1nccc(=S)[nH]1	307243626	345917806	/nfs/dbraw/zinc/91/78/06/345917806.db2.gz	KEHOAKSXVFUWDR-YUMQZZPRSA-N	0	0	194.303	3.043	10	0		AGAERN
CC(C)(Cn1cccc1)C1CCC1	307243642	345917831	/nfs/dbraw/zinc/91/78/31/345917831.db2.gz	KHEOTYOEIIUQFV-UHFFFAOYSA-N	0	0	177.291	3.314	10	0		AGAERN
Clc1sccc1NCC1CC1	307246779	345919728	/nfs/dbraw/zinc/91/97/28/345919728.db2.gz	YUDMIMNYOBUDHW-UHFFFAOYSA-N	0	0	187.695	3.223	10	0		AGAERN
Cc1cn(CC2CC(F)(F)C2)cc1C	307248870	345920779	/nfs/dbraw/zinc/92/07/79/345920779.db2.gz	NNEOHNAFWUNNAY-UHFFFAOYSA-N	0	0	199.244	3.150	10	0		AGAERN
Cc1ccc2c(Cl)nccc2c1F	307248599	345920797	/nfs/dbraw/zinc/92/07/97/345920797.db2.gz	NLURUQXSVACWAE-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
Cc1ccc(N[C@@H]2C[C@H](C)[C@H]2C)cc1	307248805	345921035	/nfs/dbraw/zinc/92/10/35/345921035.db2.gz	IIOHMCKOJWDNDP-DMDPSCGWSA-N	0	0	189.302	3.451	10	0		AGAERN
Cc1ccc(N[C@@H]2C[C@@H](C)[C@@H]2C)cc1	307248808	345921158	/nfs/dbraw/zinc/92/11/58/345921158.db2.gz	IIOHMCKOJWDNDP-NTZNESFSSA-N	0	0	189.302	3.451	10	0		AGAERN
CCc1c(C)ccc(F)c1Cl	307248998	345921429	/nfs/dbraw/zinc/92/14/29/345921429.db2.gz	ISASRAWQGSUZSY-UHFFFAOYSA-N	0	0	172.630	3.350	10	0		AGAERN
Cc1cscc1N[C@@H]1CC[C@@H]2C[C@@H]21	307250698	345922661	/nfs/dbraw/zinc/92/26/61/345922661.db2.gz	MKHNNKCPRZWKEL-KXUCPTDWSA-N	0	0	193.315	3.267	10	0		AGAERN
Cc1cscc1N[C@@H]1CC[C@H]2C[C@H]21	307250697	345922836	/nfs/dbraw/zinc/92/28/36/345922836.db2.gz	MKHNNKCPRZWKEL-IVZWLZJFSA-N	0	0	193.315	3.267	10	0		AGAERN
CC(C)(C)C[C@](C)(O)c1cccs1	307252532	345924133	/nfs/dbraw/zinc/92/41/33/345924133.db2.gz	SKOMUHQZSUAQGU-NSHDSACASA-N	0	0	198.331	3.392	10	0		AGAERN
CC(C)(C)C[C@@](C)(O)c1cccs1	307252531	345924292	/nfs/dbraw/zinc/92/42/92/345924292.db2.gz	SKOMUHQZSUAQGU-LLVKDONJSA-N	0	0	198.331	3.392	10	0		AGAERN
C[C@H]1CCC[C@@H]1c1nccc(Cl)n1	307253302	345924493	/nfs/dbraw/zinc/92/44/93/345924493.db2.gz	UZVOBKQDHVUUHB-YUMQZZPRSA-N	0	0	196.681	3.034	10	0		AGAERN
C[C@@H]1CCC[C@H]1c1nccc(Cl)n1	307253299	345924572	/nfs/dbraw/zinc/92/45/72/345924572.db2.gz	UZVOBKQDHVUUHB-HTQZYQBOSA-N	0	0	196.681	3.034	10	0		AGAERN
C[C@@H]1CCC[C@@H]1c1nccc(Cl)n1	307253301	345924710	/nfs/dbraw/zinc/92/47/10/345924710.db2.gz	UZVOBKQDHVUUHB-SFYZADRCSA-N	0	0	196.681	3.034	10	0		AGAERN
CC(C)(C)C[C@]1(C)[C@H](CO)C1(C)C	307253748	345924968	/nfs/dbraw/zinc/92/49/68/345924968.db2.gz	WBRZTRYMISPSKA-BXKDBHETSA-N	0	0	184.323	3.077	10	0		AGAERN
CC(C)(C)C[C@@]1(C)[C@H](CO)C1(C)C	307253751	345925018	/nfs/dbraw/zinc/92/50/18/345925018.db2.gz	WBRZTRYMISPSKA-SKDRFNHKSA-N	0	0	184.323	3.077	10	0		AGAERN
CC(C)(C)C[C@@]1(C)[C@@H](CO)C1(C)C	307253749	345925217	/nfs/dbraw/zinc/92/52/17/345925217.db2.gz	WBRZTRYMISPSKA-CABZTGNLSA-N	0	0	184.323	3.077	10	0		AGAERN
CC(C)(C)C[C@]1(C)[C@@H](CO)C1(C)C	307253750	345925292	/nfs/dbraw/zinc/92/52/92/345925292.db2.gz	WBRZTRYMISPSKA-JOYOIKCWSA-N	0	0	184.323	3.077	10	0		AGAERN
C=Cc1nc([C@@H]2CCCC[C@@H]2C)no1	307254617	345926138	/nfs/dbraw/zinc/92/61/38/345926138.db2.gz	YDMAHGWEFDYMBL-DTWKUNHWSA-N	0	0	192.262	3.006	10	0		AGAERN
C=Cc1nc([C@@H]2CCCC[C@H]2C)no1	307254619	345926165	/nfs/dbraw/zinc/92/61/65/345926165.db2.gz	YDMAHGWEFDYMBL-RKDXNWHRSA-N	0	0	192.262	3.006	10	0		AGAERN
C=Cc1nc([C@H]2CCCC[C@@H]2C)no1	307254618	345926186	/nfs/dbraw/zinc/92/61/86/345926186.db2.gz	YDMAHGWEFDYMBL-IUCAKERBSA-N	0	0	192.262	3.006	10	0		AGAERN
C=Cc1nc([C@H]2CCCC[C@H]2C)no1	307254616	345926201	/nfs/dbraw/zinc/92/62/01/345926201.db2.gz	YDMAHGWEFDYMBL-BDAKNGLRSA-N	0	0	192.262	3.006	10	0		AGAERN
CCCc1ccccc1C1(O)CCC1	307254341	345926230	/nfs/dbraw/zinc/92/62/30/345926230.db2.gz	XNQDKAMOMJCUGA-UHFFFAOYSA-N	0	0	190.286	3.011	10	0		AGAERN
C[C@H]1CCC[C@H]1c1nccs1	307255198	345926795	/nfs/dbraw/zinc/92/67/95/345926795.db2.gz	ZDUJRFGEYZVUQB-JGVFFNPUSA-N	0	0	167.277	3.047	10	0		AGAERN
C[C@@H]1CCC[C@H]1c1nccs1	307255197	345926677	/nfs/dbraw/zinc/92/66/77/345926677.db2.gz	ZDUJRFGEYZVUQB-HTQZYQBOSA-N	0	0	167.277	3.047	10	0		AGAERN
C[C@H]1CCC[C@@H]1c1nccs1	307255200	345926783	/nfs/dbraw/zinc/92/67/83/345926783.db2.gz	ZDUJRFGEYZVUQB-YUMQZZPRSA-N	0	0	167.277	3.047	10	0		AGAERN
FCCSc1ccccc1Cl	307255979	345927237	/nfs/dbraw/zinc/92/72/37/345927237.db2.gz	DLXXTPKTQUOWHI-UHFFFAOYSA-N	0	0	190.670	3.402	10	0		AGAERN
Cc1ccoc1Cn1c(C)ccc1C	307261281	345931649	/nfs/dbraw/zinc/93/16/49/345931649.db2.gz	PEFFTBLRTVEVHB-UHFFFAOYSA-N	0	0	189.258	3.055	10	0		AGAERN
Cc1cocc1C(O)(C(C)C)C(C)C	307261833	345931816	/nfs/dbraw/zinc/93/18/16/345931816.db2.gz	QRHMAQFCTJAKGF-UHFFFAOYSA-N	0	0	196.290	3.088	10	0		AGAERN
CCOc1cc(Cl)cc(F)c1C	307262382	345932553	/nfs/dbraw/zinc/93/25/53/345932553.db2.gz	WRRXABCJWKADHM-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
C[C@H]1CCCC[C@H]1c1ncsc1N	307263405	345933091	/nfs/dbraw/zinc/93/30/91/345933091.db2.gz	YKKBXYBMOQABQJ-JGVFFNPUSA-N	0	0	196.319	3.019	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1c1ncsc1N	307263406	345933226	/nfs/dbraw/zinc/93/32/26/345933226.db2.gz	YKKBXYBMOQABQJ-SFYZADRCSA-N	0	0	196.319	3.019	10	0		AGAERN
C[C@@H]1CCCC[C@H]1c1ncsc1N	307263404	345933363	/nfs/dbraw/zinc/93/33/63/345933363.db2.gz	YKKBXYBMOQABQJ-HTQZYQBOSA-N	0	0	196.319	3.019	10	0		AGAERN
C[C@H]1CCCC[C@@H]1c1ncsc1N	307263407	345933436	/nfs/dbraw/zinc/93/34/36/345933436.db2.gz	YKKBXYBMOQABQJ-YUMQZZPRSA-N	0	0	196.319	3.019	10	0		AGAERN
Nc1ncc(C2=CCCCCC2)s1	307267925	345936624	/nfs/dbraw/zinc/93/66/24/345936624.db2.gz	JKMYGZPJJAKWRS-UHFFFAOYSA-N	0	0	194.303	3.073	10	0		AGAERN
CCC(CC)Nc1c(C)ccnc1C	307267996	345936640	/nfs/dbraw/zinc/93/66/40/345936640.db2.gz	JSFNRSBRVYNXLE-UHFFFAOYSA-N	0	0	192.306	3.299	10	0		AGAERN
Cc1cscc1NC1CC(C)C1	307269476	345936991	/nfs/dbraw/zinc/93/69/91/345936991.db2.gz	GWVZQDYFQTZRIR-UHFFFAOYSA-N	0	0	181.304	3.267	10	0		AGAERN
Cc1cc(Cl)cc(OCF)c1F	307269634	345937148	/nfs/dbraw/zinc/93/71/48/345937148.db2.gz	NGFMBWYDCHIVAC-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
COc1cc(SC)c(C)cc1C	307269837	345937839	/nfs/dbraw/zinc/93/78/39/345937839.db2.gz	OGFHYBVPOKEHTL-UHFFFAOYSA-N	0	0	182.288	3.034	10	0		AGAERN
Cc1c(F)ccc(OC(F)F)c1C	307271930	345938389	/nfs/dbraw/zinc/93/83/89/345938389.db2.gz	CZPMVMROULVGIE-UHFFFAOYSA-N	0	0	190.164	3.044	10	0		AGAERN
Cc1ccc(Cl)c(OCF)c1F	307271533	345938420	/nfs/dbraw/zinc/93/84/20/345938420.db2.gz	CCBGKCXKHXBPTO-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
Cc1ccc(F)c(C(F)(F)F)c1C	307274719	345941159	/nfs/dbraw/zinc/94/11/59/345941159.db2.gz	OBCMOIJNWRRQSP-UHFFFAOYSA-N	0	0	192.155	3.461	10	0		AGAERN
Cc1cc(Cl)c(CF)cc1F	307274771	345941206	/nfs/dbraw/zinc/94/12/06/345941206.db2.gz	OODSRYMYANXEBB-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
CCNc1nc(C(C)(C)C)c(C)s1	307278138	345943046	/nfs/dbraw/zinc/94/30/46/345943046.db2.gz	TTWWEBXSXZNHOK-UHFFFAOYSA-N	0	0	198.335	3.181	10	0		AGAERN
CCNc1ccc(C)c(Cl)c1F	307281480	345945163	/nfs/dbraw/zinc/94/51/63/345945163.db2.gz	JZMRKEOSUANVSJ-UHFFFAOYSA-N	0	0	187.645	3.219	10	0		AGAERN
Cc1cscc1N[C@H]1CC[C@@H]2C[C@H]12	307283769	345946541	/nfs/dbraw/zinc/94/65/41/345946541.db2.gz	MKHNNKCPRZWKEL-UTLUCORTSA-N	0	0	193.315	3.267	10	0		AGAERN
Cc1cnc(=S)[nH]c1C1=CCCC1	307283760	345946572	/nfs/dbraw/zinc/94/65/72/345946572.db2.gz	MJFHPMFRUGKDHF-UHFFFAOYSA-N	0	0	192.287	3.015	10	0		AGAERN
CCNc1c(Cl)ccc(C)c1C	307286751	345948268	/nfs/dbraw/zinc/94/82/68/345948268.db2.gz	RYIIVHVSBAEXCH-UHFFFAOYSA-N	0	0	183.682	3.389	10	0		AGAERN
CC[C@@H]1C(=O)[C@H](C)[C@@H]1c1ccsc1	307289571	345949696	/nfs/dbraw/zinc/94/96/96/345949696.db2.gz	YSLGSXBZVFOEPP-FKTZTGRPSA-N	0	0	194.299	3.077	10	0		AGAERN
CCc1oc(=S)[nH]c1[C@@H]1CC1(C)C	307289459	345949792	/nfs/dbraw/zinc/94/97/92/345949792.db2.gz	GPHAHMNFEKPDPS-LURJTMIESA-N	0	0	197.303	3.039	10	0		AGAERN
CC[C@@H]1C(=O)[C@@H](C)[C@H]1c1ccsc1	307289572	345949827	/nfs/dbraw/zinc/94/98/27/345949827.db2.gz	YSLGSXBZVFOEPP-HGNGGELXSA-N	0	0	194.299	3.077	10	0		AGAERN
CC[C@@H]1C(=O)[C@H](C)[C@H]1c1ccsc1	307289573	345949898	/nfs/dbraw/zinc/94/98/98/345949898.db2.gz	YSLGSXBZVFOEPP-JEZHCXPESA-N	0	0	194.299	3.077	10	0		AGAERN
CCc1oc(=S)[nH]c1[C@H]1CC1(C)C	307289460	345949914	/nfs/dbraw/zinc/94/99/14/345949914.db2.gz	GPHAHMNFEKPDPS-ZCFIWIBFSA-N	0	0	197.303	3.039	10	0		AGAERN
Cc1ccc(O)cc1-c1ccsc1	307289139	345949926	/nfs/dbraw/zinc/94/99/26/345949926.db2.gz	YBDXDEQRNRBGSY-UHFFFAOYSA-N	0	0	190.267	3.429	10	0		AGAERN
CC[C@@H]1C(=O)[C@@H](C)[C@@H]1c1ccsc1	307289574	345949944	/nfs/dbraw/zinc/94/99/44/345949944.db2.gz	YSLGSXBZVFOEPP-UJNFCWOMSA-N	0	0	194.299	3.077	10	0		AGAERN
CCOc1c(C)cc(F)cc1Cl	307290406	345950483	/nfs/dbraw/zinc/95/04/83/345950483.db2.gz	AOMZNHSEUNHNMJ-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
CCC1([C@@H](O)C2CCCCC2)CC1	307292633	345951398	/nfs/dbraw/zinc/95/13/98/345951398.db2.gz	MCAKLORTQWCGDX-NSHDSACASA-N	0	0	182.307	3.118	10	0		AGAERN
CCC1([C@H](O)C2CCCCC2)CC1	307292632	345951461	/nfs/dbraw/zinc/95/14/61/345951461.db2.gz	MCAKLORTQWCGDX-LLVKDONJSA-N	0	0	182.307	3.118	10	0		AGAERN
CC/C=C(\C)c1sccc1N	307294188	345952285	/nfs/dbraw/zinc/95/22/85/345952285.db2.gz	MYRTUVHBRAEBAU-QPJJXVBHSA-N	0	0	167.277	3.144	10	0		AGAERN
C[C@H]1CCNc2cc(F)cc(Cl)c21	307295566	345952764	/nfs/dbraw/zinc/95/27/64/345952764.db2.gz	CZWNWZRKALIXNT-LURJTMIESA-N	0	0	199.656	3.398	10	0		AGAERN
C[C@@H]1CCNc2cc(F)cc(Cl)c21	307295568	345953073	/nfs/dbraw/zinc/95/30/73/345953073.db2.gz	CZWNWZRKALIXNT-ZCFIWIBFSA-N	0	0	199.656	3.398	10	0		AGAERN
CC(C)c1cccc(C(=O)C(F)F)c1	307296905	345953598	/nfs/dbraw/zinc/95/35/98/345953598.db2.gz	RKIFAEMPTQIKTB-UHFFFAOYSA-N	0	0	198.212	3.258	10	0		AGAERN
Cc1ccc(Cl)c(F)c1OCF	307300935	345955854	/nfs/dbraw/zinc/95/58/54/345955854.db2.gz	JNTXJQUULKIHQF-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
Cc1c(F)cc(OCF)cc1Cl	307303146	345957476	/nfs/dbraw/zinc/95/74/76/345957476.db2.gz	OOLHTIUWFCAYLV-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
CNc1ncc([C@H](C)C(C)(C)C)s1	307303137	345957542	/nfs/dbraw/zinc/95/75/42/345957542.db2.gz	OLXDBDYSRGNBMQ-ZETCQYMHSA-N	0	0	198.335	3.334	10	0		AGAERN
CNc1ncc([C@@H](C)C(C)(C)C)s1	307303135	345957757	/nfs/dbraw/zinc/95/77/57/345957757.db2.gz	OLXDBDYSRGNBMQ-SSDOTTSWSA-N	0	0	198.335	3.334	10	0		AGAERN
CCCc1cc(F)c(Cl)cc1N	307304165	345958286	/nfs/dbraw/zinc/95/82/86/345958286.db2.gz	WHOQCWFEESRPOH-UHFFFAOYSA-N	0	0	187.645	3.014	10	0		AGAERN
CCOc1cc(F)c(F)c(Cl)c1	307307581	345960440	/nfs/dbraw/zinc/96/04/40/345960440.db2.gz	MMWCCCKFVOQPLG-UHFFFAOYSA-N	0	0	192.592	3.017	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1c1cnc(N)s1	307308306	345961162	/nfs/dbraw/zinc/96/11/62/345961162.db2.gz	HJMRFUUKYSZUAO-SFYZADRCSA-N	0	0	196.319	3.019	10	0		AGAERN
C[C@H](c1nccnc1Cl)C(C)(C)C	307308717	345961190	/nfs/dbraw/zinc/96/11/90/345961190.db2.gz	OLAAWMCIHSGMGK-SSDOTTSWSA-N	0	0	198.697	3.280	10	0		AGAERN
C[C@H]1CCCC[C@@H]1c1cnc(N)s1	307308314	345961261	/nfs/dbraw/zinc/96/12/61/345961261.db2.gz	HJMRFUUKYSZUAO-YUMQZZPRSA-N	0	0	196.319	3.019	10	0		AGAERN
C[C@@H](c1nccnc1Cl)C(C)(C)C	307308718	345961310	/nfs/dbraw/zinc/96/13/10/345961310.db2.gz	OLAAWMCIHSGMGK-ZETCQYMHSA-N	0	0	198.697	3.280	10	0		AGAERN
CC[C@](O)(c1ccoc1)C1CCCC1	307310233	345962288	/nfs/dbraw/zinc/96/22/88/345962288.db2.gz	IOBJNDYNNZUXKB-GFCCVEGCSA-N	0	0	194.274	3.067	10	0		AGAERN
CCC1(Nc2ccncc2Cl)CC1	307316419	345966512	/nfs/dbraw/zinc/96/65/12/345966512.db2.gz	AXGOGFIOZXQVCH-UHFFFAOYSA-N	0	0	196.681	3.090	10	0		AGAERN
C/C=C(\c1sccc1N)C(C)C	307317015	345966785	/nfs/dbraw/zinc/96/67/85/345966785.db2.gz	OCZXSKFOGHKJRK-YWEYNIOJSA-N	0	0	181.304	3.390	10	0		AGAERN
CC(C)CNc1ccsc1Cl	307320329	345969050	/nfs/dbraw/zinc/96/90/50/345969050.db2.gz	OTNWYYKRCSYGKB-UHFFFAOYSA-N	0	0	189.711	3.469	10	0		AGAERN
Cc1cscc1NC/C=C/Cl	307322996	345970434	/nfs/dbraw/zinc/97/04/34/345970434.db2.gz	HBOXWMSNEFQNEC-NSCUHMNNSA-N	0	0	187.695	3.221	10	0		AGAERN
Cc1ccc(CF)c(Cl)c1F	307325152	345972300	/nfs/dbraw/zinc/97/23/00/345972300.db2.gz	IFHLRNMIOWSKLC-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
CCOc1cc(F)c(F)cc1Cl	307324944	345972364	/nfs/dbraw/zinc/97/23/64/345972364.db2.gz	FNOAPTBGRSSZPZ-UHFFFAOYSA-N	0	0	192.592	3.017	10	0		AGAERN
CCC[C@H](C)C1=C[C@H](O)C[C@@H](C)C1	307326237	345972719	/nfs/dbraw/zinc/97/27/19/345972719.db2.gz	IVLPDEQVEOATQS-JBLDHEPKSA-N	0	0	182.307	3.140	10	0		AGAERN
CCC[C@H](C)C1=C[C@@H](O)C[C@H](C)C1	307326245	345972807	/nfs/dbraw/zinc/97/28/07/345972807.db2.gz	IVLPDEQVEOATQS-SCVCMEIPSA-N	0	0	182.307	3.140	10	0		AGAERN
CCC[C@H](C)C1=C[C@@H](O)C[C@@H](C)C1	307326242	345972835	/nfs/dbraw/zinc/97/28/35/345972835.db2.gz	IVLPDEQVEOATQS-NHCYSSNCSA-N	0	0	182.307	3.140	10	0		AGAERN
CCC[C@H](C)C1=C[C@H](O)C[C@H](C)C1	307326240	345972978	/nfs/dbraw/zinc/97/29/78/345972978.db2.gz	IVLPDEQVEOATQS-JFGNBEQYSA-N	0	0	182.307	3.140	10	0		AGAERN
CCc1cc(Cl)c(F)cc1F	307326555	345973005	/nfs/dbraw/zinc/97/30/05/345973005.db2.gz	IWTRUUOVFXPVFL-UHFFFAOYSA-N	0	0	176.593	3.181	10	0		AGAERN
Clc1sccc1NC1CCC1	307328149	345974378	/nfs/dbraw/zinc/97/43/78/345974378.db2.gz	JWAOBCBAXHDQPB-UHFFFAOYSA-N	0	0	187.695	3.366	10	0		AGAERN
CCc1cc(C)cc(Cl)c1F	307332602	345976767	/nfs/dbraw/zinc/97/67/67/345976767.db2.gz	PXHRMZGBQPBXQT-UHFFFAOYSA-N	0	0	172.630	3.350	10	0		AGAERN
Cc1cc(Cl)cc(CF)c1F	307333835	345977192	/nfs/dbraw/zinc/97/71/92/345977192.db2.gz	LLABHKXCIDIYJO-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
CCCNc1c(N)ccc(Cl)c1C	307335378	345978391	/nfs/dbraw/zinc/97/83/91/345978391.db2.gz	MRHBNMOYXAJPJR-UHFFFAOYSA-N	0	0	198.697	3.053	10	0		AGAERN
C[C@@H](Nc1ccsc1)C1CCC1	307335649	345978510	/nfs/dbraw/zinc/97/85/10/345978510.db2.gz	GUXLWKZHDPWAMG-MRVPVSSYSA-N	0	0	181.304	3.349	10	0		AGAERN
C[C@H](Nc1ccsc1)C1CCC1	307335652	345978546	/nfs/dbraw/zinc/97/85/46/345978546.db2.gz	GUXLWKZHDPWAMG-QMMMGPOBSA-N	0	0	181.304	3.349	10	0		AGAERN
CCc1cc(Cl)cc(F)c1F	307339113	345981131	/nfs/dbraw/zinc/98/11/31/345981131.db2.gz	RFZAKLLLBCBNTO-UHFFFAOYSA-N	0	0	176.593	3.181	10	0		AGAERN
Cc1cc(C2=NC(=S)OC2)cs1	307341777	345982673	/nfs/dbraw/zinc/98/26/73/345982673.db2.gz	VCWWJLUWMDELIB-UHFFFAOYSA-N	0	0	197.284	3.000	10	0		AGAERN
CC(C)(C)C(C)(C)Nc1ccccn1	307345699	345984794	/nfs/dbraw/zinc/98/47/94/345984794.db2.gz	WGRLOFPMLFOXRH-UHFFFAOYSA-N	0	0	192.306	3.318	10	0		AGAERN
C1CCc2nc(C3CC3)sc2CC1	307346644	345985425	/nfs/dbraw/zinc/98/54/25/345985425.db2.gz	WTMXXVPJNOKUCZ-UHFFFAOYSA-N	0	0	193.315	3.289	10	0		AGAERN
CCc1c(F)ccc(Cl)c1C	307346624	345985575	/nfs/dbraw/zinc/98/55/75/345985575.db2.gz	WRNAQCJVBFBKFG-UHFFFAOYSA-N	0	0	172.630	3.350	10	0		AGAERN
Cc1[nH]c(=S)[nH]c1-c1ccsc1	307347080	345985899	/nfs/dbraw/zinc/98/58/99/345985899.db2.gz	MRYCOYSTDWADTA-UHFFFAOYSA-N	0	0	196.300	3.109	10	0		AGAERN
S=c1cc[nH]c(C2=CCCC2)c1	307349613	345986944	/nfs/dbraw/zinc/98/69/44/345986944.db2.gz	SLNVDVSBHGUSCU-UHFFFAOYSA-N	0	0	177.272	3.311	10	0		AGAERN
CC/C(=C/[C@@H](C)O)c1cccc(C)c1	307350040	345987454	/nfs/dbraw/zinc/98/74/54/345987454.db2.gz	ZEGWJMMHYKWVID-ZGSOTFDTSA-N	0	0	190.286	3.169	10	0		AGAERN
CC/C(=C/[C@H](C)O)c1cccc(C)c1	307350039	345987518	/nfs/dbraw/zinc/98/75/18/345987518.db2.gz	ZEGWJMMHYKWVID-AWPPVZKDSA-N	0	0	190.286	3.169	10	0		AGAERN
Cc1cc(SC(C)C)c(F)cc1N	307355885	345991263	/nfs/dbraw/zinc/99/12/63/345991263.db2.gz	UQACMGFBVPYAOR-UHFFFAOYSA-N	0	0	199.294	3.217	10	0		AGAERN
Cc1cc(Cl)cc(F)c1OCF	307356571	345991746	/nfs/dbraw/zinc/99/17/46/345991746.db2.gz	YVWMXBQZTDGAIX-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
Cc1c(Cl)cc(F)cc1CF	307447736	346046169	/nfs/dbraw/zinc/04/61/69/346046169.db2.gz	JMKIYLMNBDGVND-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
Clc1cnccc1C1CCCC1	307358259	345993015	/nfs/dbraw/zinc/99/30/15/345993015.db2.gz	YIQOPTUZRJVKOX-UHFFFAOYSA-N	0	0	181.666	3.393	10	0		AGAERN
CC1(C)CC[C@@]1(O)C1=CCCCCC1	307358256	345993018	/nfs/dbraw/zinc/99/30/18/345993018.db2.gz	YIHRAVABEDKBTG-CYBMUJFWSA-N	0	0	194.318	3.428	10	0		AGAERN
CC1(C)CC[C@]1(O)C1=CCCCCC1	307358257	345993050	/nfs/dbraw/zinc/99/30/50/345993050.db2.gz	YIHRAVABEDKBTG-ZDUSSCGKSA-N	0	0	194.318	3.428	10	0		AGAERN
CC[C@H]1C[C@H]1C(=O)c1cccc(F)c1	307363416	345995619	/nfs/dbraw/zinc/99/56/19/345995619.db2.gz	JWCKDFQNMVXIFU-GZMMTYOYSA-N	0	0	192.233	3.055	10	0		AGAERN
CC[C@@H]1C[C@@H]1C(=O)c1cccc(F)c1	307363417	345995659	/nfs/dbraw/zinc/99/56/59/345995659.db2.gz	JWCKDFQNMVXIFU-KCJUWKMLSA-N	0	0	192.233	3.055	10	0		AGAERN
CC[C@H]1C[C@@H]1C(=O)c1cccc(F)c1	307363418	345995682	/nfs/dbraw/zinc/99/56/82/345995682.db2.gz	JWCKDFQNMVXIFU-KWQFWETISA-N	0	0	192.233	3.055	10	0		AGAERN
CSc1c(C)ccc(C)c1F	307364520	345996364	/nfs/dbraw/zinc/99/63/64/345996364.db2.gz	KHGUYMITAJTMCI-UHFFFAOYSA-N	0	0	170.252	3.164	10	0		AGAERN
CC(C)C(=O)c1csc(Cl)c1	307478681	346065118	/nfs/dbraw/zinc/06/51/18/346065118.db2.gz	FHLHABCJIACZIK-UHFFFAOYSA-N	0	0	188.679	3.240	10	0		AGAERN
CNc1nc(C2CCCC2)c(C)s1	307370621	346000507	/nfs/dbraw/zinc/00/05/07/346000507.db2.gz	SFZKPSKMNHOVKZ-UHFFFAOYSA-N	0	0	196.319	3.151	10	0		AGAERN
CC(C)(C)C(C)(C)Nc1nccs1	307371622	346000874	/nfs/dbraw/zinc/00/08/74/346000874.db2.gz	QDPUBKNCUJXUCV-UHFFFAOYSA-N	0	0	198.335	3.380	10	0		AGAERN
CSc1c(C)cc(C)cc1F	307375694	346003126	/nfs/dbraw/zinc/00/31/26/346003126.db2.gz	UVEKOKSUVXIUGV-UHFFFAOYSA-N	0	0	170.252	3.164	10	0		AGAERN
Cc1cc(F)cc(C(F)F)c1C	307378449	346004544	/nfs/dbraw/zinc/00/45/44/346004544.db2.gz	WWSQFARWVOWMIE-UHFFFAOYSA-N	0	0	174.165	3.380	10	0		AGAERN
Cc1ccccc1SCCF	307379531	346005430	/nfs/dbraw/zinc/00/54/30/346005430.db2.gz	DHUMUCXLTCVNKX-UHFFFAOYSA-N	0	0	170.252	3.057	10	0		AGAERN
CC1(CC(=O)C(F)(F)F)CCCC1	307379808	346005786	/nfs/dbraw/zinc/00/57/86/346005786.db2.gz	FCZMDAHNBBTMJQ-UHFFFAOYSA-N	0	0	194.196	3.088	10	0		AGAERN
CCc1cc(F)cc(C)c1Cl	307381303	346006425	/nfs/dbraw/zinc/00/64/25/346006425.db2.gz	GOTOYTVJFVIYAO-UHFFFAOYSA-N	0	0	172.630	3.350	10	0		AGAERN
CCC1(C(=O)c2cccs2)CC1	307387706	346010148	/nfs/dbraw/zinc/01/01/48/346010148.db2.gz	DUNHXYRSLWRPFR-UHFFFAOYSA-N	0	0	180.272	3.121	10	0		AGAERN
Cc1cocc1-c1cccc(=S)[nH]1	307387512	346010223	/nfs/dbraw/zinc/01/02/23/346010223.db2.gz	MTHWHGXHCYNYJW-UHFFFAOYSA-N	0	0	191.255	3.313	10	0		AGAERN
CCc1ccc(C)c(Cl)c1F	307395132	346014758	/nfs/dbraw/zinc/01/47/58/346014758.db2.gz	GHVKFQIOYNYGTM-UHFFFAOYSA-N	0	0	172.630	3.350	10	0		AGAERN
CCC1(Nc2ncccc2Cl)CC1	307395857	346015197	/nfs/dbraw/zinc/01/51/97/346015197.db2.gz	AGMFVGHRZTZPTR-UHFFFAOYSA-N	0	0	196.681	3.090	10	0		AGAERN
CC(=O)[C@H](C)[C@@H]1CC2CCC1CC2	307399640	346017867	/nfs/dbraw/zinc/01/78/67/346017867.db2.gz	XQRSKULJRNRJBY-CJIVVXGISA-N	0	0	180.291	3.038	10	0		AGAERN
CC(=O)[C@@H](C)[C@H]1CC2CCC1CC2	307399746	346018030	/nfs/dbraw/zinc/01/80/30/346018030.db2.gz	XQRSKULJRNRJBY-OZOYIQBDSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(=O)[C@@H](C)[C@@H]1CC2CCC1CC2	307399747	346018436	/nfs/dbraw/zinc/01/84/36/346018436.db2.gz	XQRSKULJRNRJBY-RVHAWEMESA-N	0	0	180.291	3.038	10	0		AGAERN
COc1c(SC)ccc(C)c1C	307404799	346021932	/nfs/dbraw/zinc/02/19/32/346021932.db2.gz	CGFUVCZAEQLDEX-UHFFFAOYSA-N	0	0	182.288	3.034	10	0		AGAERN
COc1c(C)ccc(C)c1SC	307404979	346022031	/nfs/dbraw/zinc/02/20/31/346022031.db2.gz	COJNPMSIHNVFQY-UHFFFAOYSA-N	0	0	182.288	3.034	10	0		AGAERN
Nc1cccc(-c2ccco2)c1Cl	307408579	346024831	/nfs/dbraw/zinc/02/48/31/346024831.db2.gz	CZOICZWFKLKWBK-UHFFFAOYSA-N	0	0	193.633	3.182	10	0		AGAERN
CC(C)c1ccccc1[C@@H](O)C1CC1	307409526	346026172	/nfs/dbraw/zinc/02/61/72/346026172.db2.gz	PWFWSSBPRLWDON-ZDUSSCGKSA-N	0	0	190.286	3.253	10	0		AGAERN
CC(C)c1ccccc1[C@H](O)C1CC1	307409525	346026315	/nfs/dbraw/zinc/02/63/15/346026315.db2.gz	PWFWSSBPRLWDON-CYBMUJFWSA-N	0	0	190.286	3.253	10	0		AGAERN
Cc1cscc1NC(=O)OC(C)C	307416360	346029299	/nfs/dbraw/zinc/02/92/99/346029299.db2.gz	LFXJXWADAKZXCR-UHFFFAOYSA-N	0	0	199.275	3.013	10	0		AGAERN
S=c1cccc(C2=CCCC2)[nH]1	307419960	346031132	/nfs/dbraw/zinc/03/11/32/346031132.db2.gz	YKBOOULZFUKUDU-UHFFFAOYSA-N	0	0	177.272	3.311	10	0		AGAERN
CCc1cc(C(F)F)cc(F)c1F	307426308	346034151	/nfs/dbraw/zinc/03/41/51/346034151.db2.gz	FSBWYZRFWDSBBN-UHFFFAOYSA-N	0	0	192.155	3.465	10	0		AGAERN
Cc1cc(F)c(CF)c(Cl)c1	307428473	346035055	/nfs/dbraw/zinc/03/50/55/346035055.db2.gz	SPUPEXOOQAOXNP-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
CCNc1ccnc2c(C)csc12	307428645	346035058	/nfs/dbraw/zinc/03/50/58/346035058.db2.gz	ULLXSJMYHVNZBF-UHFFFAOYSA-N	0	0	192.287	3.037	10	0		AGAERN
CC(C)Nc1ccc(C2CC2)cc1	307428143	346035384	/nfs/dbraw/zinc/03/53/84/346035384.db2.gz	AAUHIFNPHXDBII-UHFFFAOYSA-N	0	0	175.275	3.384	10	0		AGAERN
Cc1c(F)ccc(OCF)c1Cl	307429428	346035753	/nfs/dbraw/zinc/03/57/53/346035753.db2.gz	ULSADYQRMASUHC-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
Cc1ccc(CF)c(F)c1Cl	307433061	346037576	/nfs/dbraw/zinc/03/75/76/346037576.db2.gz	NQXXJILBJBXGJH-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
Cc1c(F)ccc(C(F)(F)F)c1C	307434299	346037911	/nfs/dbraw/zinc/03/79/11/346037911.db2.gz	OZLANPFSHZQJRT-UHFFFAOYSA-N	0	0	192.155	3.461	10	0		AGAERN
CCC(CC)c1nsc(Cl)n1	307435187	346038636	/nfs/dbraw/zinc/03/86/36/346038636.db2.gz	PTWVUJZEWLMCNB-UHFFFAOYSA-N	0	0	190.699	3.095	10	0		AGAERN
CCc1cc(F)c(F)c(C(F)F)c1	307436339	346039095	/nfs/dbraw/zinc/03/90/95/346039095.db2.gz	QWSKDWUPURLFOS-UHFFFAOYSA-N	0	0	192.155	3.465	10	0		AGAERN
C[C@H]1CC=C(c2ccoc2C=O)CC1	307438653	346040243	/nfs/dbraw/zinc/04/02/43/346040243.db2.gz	WADDPUBXZWNECP-VIFPVBQESA-N	0	0	190.242	3.296	10	0		AGAERN
C[C@@H]1CC=C(c2ccoc2C=O)CC1	307438652	346040247	/nfs/dbraw/zinc/04/02/47/346040247.db2.gz	WADDPUBXZWNECP-SECBINFHSA-N	0	0	190.242	3.296	10	0		AGAERN
CCc1ccc(NC(C)C)cc1F	307440787	346041968	/nfs/dbraw/zinc/04/19/68/346041968.db2.gz	ZAHZVODQWRHZTR-UHFFFAOYSA-N	0	0	181.254	3.208	10	0		AGAERN
FCc1ccc(Cl)c(F)c1F	307441819	346042270	/nfs/dbraw/zinc/04/22/70/346042270.db2.gz	ZUEKZAXGZLUFRZ-UHFFFAOYSA-N	0	0	180.556	3.088	10	0		AGAERN
Clc1ccn(CC2CCCCC2)n1	307442704	346042868	/nfs/dbraw/zinc/04/28/68/346042868.db2.gz	AYWYQPJOVLPYOG-UHFFFAOYSA-N	0	0	198.697	3.117	10	0		AGAERN
Cc1ccoc1[C@H](O)CC1(C)CCC1	307442810	346042895	/nfs/dbraw/zinc/04/28/95/346042895.db2.gz	ASANMAOEDDTIDY-SNVBAGLBSA-N	0	0	194.274	3.202	10	0		AGAERN
CCc1ccc(F)c(F)c1C(F)F	307442728	346043078	/nfs/dbraw/zinc/04/30/78/346043078.db2.gz	AKMZSWJZOAKVQT-UHFFFAOYSA-N	0	0	192.155	3.465	10	0		AGAERN
Cc1ccoc1[C@@H](O)CC1(C)CCC1	307442809	346043166	/nfs/dbraw/zinc/04/31/66/346043166.db2.gz	ASANMAOEDDTIDY-JTQLQIEISA-N	0	0	194.274	3.202	10	0		AGAERN
CNc1nc([C@@H]2CC2(C)C)c(C)s1	307443825	346043814	/nfs/dbraw/zinc/04/38/14/346043814.db2.gz	CTVOKRXKFHZCNN-ZETCQYMHSA-N	0	0	196.319	3.007	10	0		AGAERN
CNc1nc([C@H]2CC2(C)C)c(C)s1	307443824	346043844	/nfs/dbraw/zinc/04/38/44/346043844.db2.gz	CTVOKRXKFHZCNN-SSDOTTSWSA-N	0	0	196.319	3.007	10	0		AGAERN
CCc1c(C(F)F)ccc(F)c1F	307444888	346044512	/nfs/dbraw/zinc/04/45/12/346044512.db2.gz	DQEMOJVMPAPFDQ-UHFFFAOYSA-N	0	0	192.155	3.465	10	0		AGAERN
Cc1cc(CF)cc(Cl)c1F	307446719	346045364	/nfs/dbraw/zinc/04/53/64/346045364.db2.gz	XACLPGCMAZLIKQ-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
C[C@H]1CCC[C@H](C(=O)C(C)(F)F)C1	307448133	346046424	/nfs/dbraw/zinc/04/64/24/346046424.db2.gz	KHNIAHCGIAXLLE-YUMQZZPRSA-N	0	0	190.233	3.037	10	0		AGAERN
C[C@@H]1CCC[C@H](C(=O)C(C)(F)F)C1	307448131	346046495	/nfs/dbraw/zinc/04/64/95/346046495.db2.gz	KHNIAHCGIAXLLE-SFYZADRCSA-N	0	0	190.233	3.037	10	0		AGAERN
C[C@@H]1CCC[C@@H](C(=O)C(C)(F)F)C1	307448127	346046533	/nfs/dbraw/zinc/04/65/33/346046533.db2.gz	KHNIAHCGIAXLLE-HTQZYQBOSA-N	0	0	190.233	3.037	10	0		AGAERN
C[C@H]1CCC[C@@H](C(=O)C(C)(F)F)C1	307448129	346046732	/nfs/dbraw/zinc/04/67/32/346046732.db2.gz	KHNIAHCGIAXLLE-JGVFFNPUSA-N	0	0	190.233	3.037	10	0		AGAERN
FCCCNc1ccsc1Cl	307459293	346053309	/nfs/dbraw/zinc/05/33/09/346053309.db2.gz	FDNMCYUJVGLHHZ-UHFFFAOYSA-N	0	0	193.674	3.173	10	0		AGAERN
CSc1ccc(F)c(Cl)c1F	307459101	346053475	/nfs/dbraw/zinc/05/34/75/346053475.db2.gz	HOGYTCWZWPJXEW-UHFFFAOYSA-N	0	0	194.633	3.340	10	0		AGAERN
Cc1ccc(F)c(CF)c1Cl	307459964	346053905	/nfs/dbraw/zinc/05/39/05/346053905.db2.gz	AVIJKYUMJBLOQM-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
C[C@H]1C(=O)CC[C@@H]1CC1=CCCC1	307467544	346058124	/nfs/dbraw/zinc/05/81/24/346058124.db2.gz	LHXXZODYNCMCLS-MWLCHTKSSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@H]1C(=O)CC[C@H]1CC1=CCCC1	307467543	346058176	/nfs/dbraw/zinc/05/81/76/346058176.db2.gz	LHXXZODYNCMCLS-KOLCDFICSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@@H]1C(=O)CC[C@@H]1CC1=CCCC1	307467542	346058179	/nfs/dbraw/zinc/05/81/79/346058179.db2.gz	LHXXZODYNCMCLS-GXSJLCMTSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@@H]1C(=O)CC[C@H]1CC1=CCCC1	307467545	346058335	/nfs/dbraw/zinc/05/83/35/346058335.db2.gz	LHXXZODYNCMCLS-ONGXEEELSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1cc(=S)n([C@H](C)C(C)(C)C)[nH]1	307467951	346058358	/nfs/dbraw/zinc/05/83/58/346058358.db2.gz	LTXPKZQTAQGEOZ-MRVPVSSYSA-N	0	0	198.335	3.087	10	0		AGAERN
CCOc1ccc(Cl)c(C)c1F	307471727	346060438	/nfs/dbraw/zinc/06/04/38/346060438.db2.gz	YACHVLKBMAGDID-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
C[C@@H]1C[C@H](Nc2cccc(F)c2)[C@@H]1C	307472692	346060862	/nfs/dbraw/zinc/06/08/62/346060862.db2.gz	GBJIWQIMYFYIDR-LNLATYFQSA-N	0	0	193.265	3.282	10	0		AGAERN
C[C@@H]1C[C@@H](Nc2cccc(F)c2)[C@@H]1C	307472691	346060903	/nfs/dbraw/zinc/06/09/03/346060903.db2.gz	GBJIWQIMYFYIDR-KBVBSXBZSA-N	0	0	193.265	3.282	10	0		AGAERN
C[C@@H]1[C@@H](Nc2cccc(F)c2)C[C@H]1C	307472693	346060950	/nfs/dbraw/zinc/06/09/50/346060950.db2.gz	GBJIWQIMYFYIDR-PTRXPTGYSA-N	0	0	193.265	3.282	10	0		AGAERN
Cc1cc(Cl)nc([C@@H](C)C(C)C)n1	307475753	346063255	/nfs/dbraw/zinc/06/32/55/346063255.db2.gz	UHPZMZAIVMNRED-QMMMGPOBSA-N	0	0	198.697	3.198	10	0		AGAERN
Cc1cc(Cl)nc([C@H](C)C(C)C)n1	307475752	346063285	/nfs/dbraw/zinc/06/32/85/346063285.db2.gz	UHPZMZAIVMNRED-MRVPVSSYSA-N	0	0	198.697	3.198	10	0		AGAERN
CCC(CC)C1=C[C@H](O)C[C@@H](C)C1	307480457	346065696	/nfs/dbraw/zinc/06/56/96/346065696.db2.gz	OXMAXFDWBXBCLO-JOYOIKCWSA-N	0	0	182.307	3.140	10	0		AGAERN
CCC(CC)C1=C[C@@H](O)C[C@@H](C)C1	307480456	346065706	/nfs/dbraw/zinc/06/57/06/346065706.db2.gz	OXMAXFDWBXBCLO-CABZTGNLSA-N	0	0	182.307	3.140	10	0		AGAERN
CCC(CC)C1=C[C@H](O)C[C@H](C)C1	307480455	346065796	/nfs/dbraw/zinc/06/57/96/346065796.db2.gz	OXMAXFDWBXBCLO-BXKDBHETSA-N	0	0	182.307	3.140	10	0		AGAERN
CCC(CC)C1=C[C@@H](O)C[C@H](C)C1	307480458	346066237	/nfs/dbraw/zinc/06/62/37/346066237.db2.gz	OXMAXFDWBXBCLO-SKDRFNHKSA-N	0	0	182.307	3.140	10	0		AGAERN
Cc1cscc1N[C@@H]1CC[C@@H]1C	307483314	346067680	/nfs/dbraw/zinc/06/76/80/346067680.db2.gz	ACBATMNRUKUQIJ-IONNQARKSA-N	0	0	181.304	3.267	10	0		AGAERN
Cc1cscc1N[C@H]1CC[C@@H]1C	307483305	346067683	/nfs/dbraw/zinc/06/76/83/346067683.db2.gz	ACBATMNRUKUQIJ-CBAPKCEASA-N	0	0	181.304	3.267	10	0		AGAERN
Cc1cscc1N[C@@H]1CC[C@H]1C	307483323	346067979	/nfs/dbraw/zinc/06/79/79/346067979.db2.gz	ACBATMNRUKUQIJ-VXNVDRBHSA-N	0	0	181.304	3.267	10	0		AGAERN
Cc1ccc(C=O)cc1C1=CCCC1	307485202	346069002	/nfs/dbraw/zinc/06/90/02/346069002.db2.gz	ADPFAFBDVCTMFZ-UHFFFAOYSA-N	0	0	186.254	3.375	10	0		AGAERN
C[C@@H]1[C@H](O)CC[C@@H]1CC1(C)CCCC1	307487079	346069704	/nfs/dbraw/zinc/06/97/04/346069704.db2.gz	CNNJWIFRPDPWJA-QJPTWQEYSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1cc(OC(C)C)c(Cl)cc1N	307492264	346072322	/nfs/dbraw/zinc/07/23/22/346072322.db2.gz	HCIQTCFLVCFCLD-UHFFFAOYSA-N	0	0	199.681	3.018	10	0		AGAERN
CSc1cc(C)cc(F)c1C	307492353	346072416	/nfs/dbraw/zinc/07/24/16/346072416.db2.gz	JBJWNLGGTIZZNF-UHFFFAOYSA-N	0	0	170.252	3.164	10	0		AGAERN
CC1(COc2ccccc2)CCC1	307493113	346072969	/nfs/dbraw/zinc/07/29/69/346072969.db2.gz	KFODQQGGOLEAPS-UHFFFAOYSA-N	0	0	176.259	3.256	10	0		AGAERN
CSc1ccc(C)c(C)c1F	307497243	346075423	/nfs/dbraw/zinc/07/54/23/346075423.db2.gz	OGKIWSMXULHYLJ-UHFFFAOYSA-N	0	0	170.252	3.164	10	0		AGAERN
COc1c(C)cc(C)cc1SC	307499685	346076561	/nfs/dbraw/zinc/07/65/61/346076561.db2.gz	LITZHLZRTGICHP-UHFFFAOYSA-N	0	0	182.288	3.034	10	0		AGAERN
CCC1(C(=O)c2ccccc2C)CC1	307504787	346079443	/nfs/dbraw/zinc/07/94/43/346079443.db2.gz	XBHUZXPQNYUTBL-UHFFFAOYSA-N	0	0	188.270	3.368	10	0		AGAERN
Cc1ccc([Si](C)(C)C)cc1Cl	307507772	346080948	/nfs/dbraw/zinc/08/09/48/346080948.db2.gz	ZSUUITDYDFIMIL-UHFFFAOYSA-N	0	0	198.769	3.194	10	0		AGAERN
CCNc1ccc2scc(C)c2n1	307509720	346082030	/nfs/dbraw/zinc/08/20/30/346082030.db2.gz	BJXDLXGXVVJPFY-UHFFFAOYSA-N	0	0	192.287	3.037	10	0		AGAERN
CC(C)Nc1ccc2sncc2c1	307513022	346083922	/nfs/dbraw/zinc/08/39/22/346083922.db2.gz	NEGHNBFAQSPSFZ-UHFFFAOYSA-N	0	0	192.287	3.117	10	0		AGAERN
CC(C)Nc1ccsc1Cl	307515607	346085604	/nfs/dbraw/zinc/08/56/04/346085604.db2.gz	PIZSAJKRIOJTSQ-UHFFFAOYSA-N	0	0	175.684	3.222	10	0		AGAERN
C1=C(CNc2ccsc2)CCC1	307516334	346086198	/nfs/dbraw/zinc/08/61/98/346086198.db2.gz	VKGHUAHQSHDFKE-UHFFFAOYSA-N	0	0	179.288	3.270	10	0		AGAERN
CSc1cc(Cl)c(F)cc1F	307518642	346087835	/nfs/dbraw/zinc/08/78/35/346087835.db2.gz	VHILHDORUNYFRG-UHFFFAOYSA-N	0	0	194.633	3.340	10	0		AGAERN
CCOc1cc(Cl)c(F)cc1C	307518328	346087953	/nfs/dbraw/zinc/08/79/53/346087953.db2.gz	VBYSJIIBZVYRQY-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
CCCSc1ccc(F)c(F)c1	307523019	346090450	/nfs/dbraw/zinc/09/04/50/346090450.db2.gz	YRECZDYDLQVYTO-UHFFFAOYSA-N	0	0	188.242	3.467	10	0		AGAERN
FCc1cc(F)c(Cl)cc1F	307527174	346092645	/nfs/dbraw/zinc/09/26/45/346092645.db2.gz	JBXOJYGOGXFPOS-UHFFFAOYSA-N	0	0	180.556	3.088	10	0		AGAERN
CSc1c(F)cc(F)cc1Cl	307527671	346093119	/nfs/dbraw/zinc/09/31/19/346093119.db2.gz	LBFNUNSAVNNPRN-UHFFFAOYSA-N	0	0	194.633	3.340	10	0		AGAERN
CC(C)Nc1ccc2ccoc2c1	307527957	346093178	/nfs/dbraw/zinc/09/31/78/346093178.db2.gz	SIZXDQOTWRKPAX-UHFFFAOYSA-N	0	0	175.231	3.253	10	0		AGAERN
FCc1cc(Cl)cc(F)c1F	307528287	346093198	/nfs/dbraw/zinc/09/31/98/346093198.db2.gz	KCNZXTXSUNIXNN-UHFFFAOYSA-N	0	0	180.556	3.088	10	0		AGAERN
CCOc1c(C)ccc(F)c1Cl	307529588	346094321	/nfs/dbraw/zinc/09/43/21/346094321.db2.gz	LZXKNIKYETZGNK-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
CSc1ccc(F)c(C)c1C	307530607	346094659	/nfs/dbraw/zinc/09/46/59/346094659.db2.gz	RELBGCAHPLSYHH-UHFFFAOYSA-N	0	0	170.252	3.164	10	0		AGAERN
C1CCC(CSCC2CC2)C1	307535041	346097555	/nfs/dbraw/zinc/09/75/55/346097555.db2.gz	BHKBXLBCCLTKER-UHFFFAOYSA-N	0	0	170.321	3.320	10	0		AGAERN
Cc1ccn(C[C@H]2CCC[C@H](C)C2)n1	307536151	346098160	/nfs/dbraw/zinc/09/81/60/346098160.db2.gz	PPYPMKFGMVNXAZ-JQWIXIFHSA-N	0	0	192.306	3.018	10	0		AGAERN
CC(C)C(c1ncsc1N)C(C)C	307537288	346098531	/nfs/dbraw/zinc/09/85/31/346098531.db2.gz	UTSRPDXOADUFGF-UHFFFAOYSA-N	0	0	198.335	3.121	10	0		AGAERN
Cc1c(Cl)ccc2c1SCCN2	307538290	346099040	/nfs/dbraw/zinc/09/90/40/346099040.db2.gz	KCQNXFJCPNNWJJ-UHFFFAOYSA-N	0	0	199.706	3.166	10	0		AGAERN
Cc1c(Cl)ccc(CF)c1F	307624728	346154606	/nfs/dbraw/zinc/15/46/06/346154606.db2.gz	OFUCLNYXGKHDMT-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
CSc1cc(F)c(Cl)c(F)c1	307539696	346100172	/nfs/dbraw/zinc/10/01/72/346100172.db2.gz	YTXCAXSIVDCRKK-UHFFFAOYSA-N	0	0	194.633	3.340	10	0		AGAERN
FCc1c(F)ccc(F)c1Cl	307539450	346100449	/nfs/dbraw/zinc/10/04/49/346100449.db2.gz	YCXXTPLIAVUAJV-UHFFFAOYSA-N	0	0	180.556	3.088	10	0		AGAERN
Cc1c(F)ccc(Cl)c1OCF	307539478	346100507	/nfs/dbraw/zinc/10/05/07/346100507.db2.gz	YGPMGMIIRDWIFF-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
O=C(CC1CCC1)c1sccc1F	307540580	346100978	/nfs/dbraw/zinc/10/09/78/346100978.db2.gz	WJMLEAVPKPXLLQ-UHFFFAOYSA-N	0	0	198.262	3.260	10	0		AGAERN
CC[C@H]1CC[C@H](C2=NC(=O)CS2)C1	307541436	346101295	/nfs/dbraw/zinc/10/12/95/346101295.db2.gz	RWKFZPGDVPQTSM-YUMQZZPRSA-N	0	0	197.303	3.142	10	0		AGAERN
CC[C@@H]1CC[C@H](C2=NC(=O)CS2)C1	307541435	346101338	/nfs/dbraw/zinc/10/13/38/346101338.db2.gz	RWKFZPGDVPQTSM-SFYZADRCSA-N	0	0	197.303	3.142	10	0		AGAERN
COc1ccc(SC)c(C)c1C	307541386	346101618	/nfs/dbraw/zinc/10/16/18/346101618.db2.gz	XRKBFAJASPPTNG-UHFFFAOYSA-N	0	0	182.288	3.034	10	0		AGAERN
CC(=O)[C@H](C)C[C@@H]1CCC[C@@H](C)C1	307542317	346102344	/nfs/dbraw/zinc/10/23/44/346102344.db2.gz	TXFSHDTWHUWLJN-CKYFFXLPSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)[C@H](C)C[C@H]1CCC[C@H](C)C1	307542320	346102352	/nfs/dbraw/zinc/10/23/52/346102352.db2.gz	TXFSHDTWHUWLJN-UMNHJUIQSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)[C@H](C)C[C@@H]1CCC[C@H](C)C1	307542319	346102611	/nfs/dbraw/zinc/10/26/11/346102611.db2.gz	TXFSHDTWHUWLJN-HOSYDEDBSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)[C@H](C)C[C@H]1CCC[C@@H](C)C1	307542318	346102645	/nfs/dbraw/zinc/10/26/45/346102645.db2.gz	TXFSHDTWHUWLJN-FOGDFJRCSA-N	0	0	182.307	3.428	10	0		AGAERN
CCOc1cc(C)cc(F)c1Cl	307544171	346103110	/nfs/dbraw/zinc/10/31/10/346103110.db2.gz	GOADGPANTTXHRF-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
Cc1cc(C2=CCCC2)[nH]c(=S)n1	307548811	346106180	/nfs/dbraw/zinc/10/61/80/346106180.db2.gz	VLUCZAIOVHKXAH-UHFFFAOYSA-N	0	0	192.287	3.015	10	0		AGAERN
CCOc1ccc(F)c(C)c1Cl	307549589	346106895	/nfs/dbraw/zinc/10/68/95/346106895.db2.gz	PYIVKBXLLQHDEU-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
Nc1c(C2CCC2)csc1Cl	307553174	346108932	/nfs/dbraw/zinc/10/89/32/346108932.db2.gz	LFAVXGPFCNFGTB-UHFFFAOYSA-N	0	0	187.695	3.251	10	0		AGAERN
O[C@@]1(C2CC2)CCCCC12CCCC2	307554895	346109954	/nfs/dbraw/zinc/10/99/54/346109954.db2.gz	MWJVRFVEXCQBBJ-CYBMUJFWSA-N	0	0	194.318	3.262	10	0		AGAERN
O[C@]1(C2CC2)CCCCC12CCCC2	307554897	346110157	/nfs/dbraw/zinc/11/01/57/346110157.db2.gz	MWJVRFVEXCQBBJ-ZDUSSCGKSA-N	0	0	194.318	3.262	10	0		AGAERN
C[C@H]1CCNc2c1ccc(Cl)c2F	307556981	346111242	/nfs/dbraw/zinc/11/12/42/346111242.db2.gz	UVMUOXBPYIKRJL-LURJTMIESA-N	0	0	199.656	3.398	10	0		AGAERN
CCCSCc1cnc(C)s1	307557798	346111587	/nfs/dbraw/zinc/11/15/87/346111587.db2.gz	CDHTUSQQUZCVBU-UHFFFAOYSA-N	0	0	187.333	3.095	10	0		AGAERN
CCNc1nc([C@@H]2CC2(C)C)cs1	307564949	346115443	/nfs/dbraw/zinc/11/54/43/346115443.db2.gz	DUEUELVWXGVCTO-ZETCQYMHSA-N	0	0	196.319	3.088	10	0		AGAERN
CCNc1nc([C@H]2CC2(C)C)cs1	307564948	346115725	/nfs/dbraw/zinc/11/57/25/346115725.db2.gz	DUEUELVWXGVCTO-SSDOTTSWSA-N	0	0	196.319	3.088	10	0		AGAERN
C/C=C/CSCC=C(C)C	307565661	346116093	/nfs/dbraw/zinc/11/60/93/346116093.db2.gz	CMMFOFQJEYLJPZ-SNAWJCMRSA-N	0	0	156.294	3.262	10	0		AGAERN
Cc1ccc(Cl)c(NC2CCC2)n1	307566663	346116840	/nfs/dbraw/zinc/11/68/40/346116840.db2.gz	STJNBVQQGPGVPD-UHFFFAOYSA-N	0	0	196.681	3.008	10	0		AGAERN
Cc1occc1CNc1ccsc1	307568146	346118223	/nfs/dbraw/zinc/11/82/23/346118223.db2.gz	SGBJWBNONJNVCD-UHFFFAOYSA-N	0	0	193.271	3.262	10	0		AGAERN
CCNc1ccc(C(C)C)c(F)c1	307571845	346120753	/nfs/dbraw/zinc/12/07/53/346120753.db2.gz	FFQAUQANQJTQEQ-UHFFFAOYSA-N	0	0	181.254	3.381	10	0		AGAERN
CNc1c(C)cc(C(C)C)cc1C	307574513	346122573	/nfs/dbraw/zinc/12/25/73/346122573.db2.gz	HKRRZUFNPWZOAH-UHFFFAOYSA-N	0	0	177.291	3.469	10	0		AGAERN
Cc1cc(F)cc2c1NCC[C@@H]2C	307578663	346125154	/nfs/dbraw/zinc/12/51/54/346125154.db2.gz	OBPVJMBQDHEZIL-ZETCQYMHSA-N	0	0	179.238	3.053	10	0		AGAERN
Cc1cc(F)cc2c1NCC[C@H]2C	307578662	346125220	/nfs/dbraw/zinc/12/52/20/346125220.db2.gz	OBPVJMBQDHEZIL-SSDOTTSWSA-N	0	0	179.238	3.053	10	0		AGAERN
CCC(=O)[C@@H]1C[C@H](C)c2ccccc21	307579518	346125852	/nfs/dbraw/zinc/12/58/52/346125852.db2.gz	VIHYIVQRISRHEL-JOYOIKCWSA-N	0	0	188.270	3.257	10	0		AGAERN
CCC(=O)[C@H]1C[C@H](C)c2ccccc21	307579517	346125872	/nfs/dbraw/zinc/12/58/72/346125872.db2.gz	VIHYIVQRISRHEL-CABZTGNLSA-N	0	0	188.270	3.257	10	0		AGAERN
CCC(=O)[C@H]1C[C@@H](C)c2ccccc21	307579519	346125884	/nfs/dbraw/zinc/12/58/84/346125884.db2.gz	VIHYIVQRISRHEL-SKDRFNHKSA-N	0	0	188.270	3.257	10	0		AGAERN
S=c1[nH]cc(C2CCCCC2)o1	307584695	346129137	/nfs/dbraw/zinc/12/91/37/346129137.db2.gz	JGQQXPOIODTSRO-UHFFFAOYSA-N	0	0	183.276	3.011	10	0		AGAERN
C/C=C/CNc1cscc1C	307587835	346131335	/nfs/dbraw/zinc/13/13/35/346131335.db2.gz	VKEGKYDESRQRLC-ONEGZZNKSA-N	0	0	167.277	3.045	10	0		AGAERN
FC(F)c1cccc(NC2CC2)c1	307590327	346132994	/nfs/dbraw/zinc/13/29/94/346132994.db2.gz	CBTBZBJMFMCZCW-UHFFFAOYSA-N	0	0	183.201	3.199	10	0		AGAERN
CCc1cc(C)sc1[C@@H](O)CC	307597623	346137370	/nfs/dbraw/zinc/13/73/70/346137370.db2.gz	NXFGEYSDVZXZQZ-VIFPVBQESA-N	0	0	184.304	3.062	10	0		AGAERN
CC(C)Cc1cc(N)c(Cl)s1	307597993	346138079	/nfs/dbraw/zinc/13/80/79/346138079.db2.gz	OQPGJZKOTSGLDT-UHFFFAOYSA-N	0	0	189.711	3.182	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1C1=NC(=O)CS1	307599134	346138467	/nfs/dbraw/zinc/13/84/67/346138467.db2.gz	QLDUESOAOKRMHE-SFYZADRCSA-N	0	0	197.303	3.142	10	0		AGAERN
C[C@@H]1CCCC[C@H]1C1=NC(=O)CS1	307599132	346138530	/nfs/dbraw/zinc/13/85/30/346138530.db2.gz	QLDUESOAOKRMHE-HTQZYQBOSA-N	0	0	197.303	3.142	10	0		AGAERN
C[C@H]1CCCC[C@@H]1C1=NC(=O)CS1	307599136	346138576	/nfs/dbraw/zinc/13/85/76/346138576.db2.gz	QLDUESOAOKRMHE-YUMQZZPRSA-N	0	0	197.303	3.142	10	0		AGAERN
C[C@H]1CCCC[C@H]1C1=NC(=O)CS1	307599133	346138680	/nfs/dbraw/zinc/13/86/80/346138680.db2.gz	QLDUESOAOKRMHE-JGVFFNPUSA-N	0	0	197.303	3.142	10	0		AGAERN
CCCCNc1cscc1C	307601512	346139986	/nfs/dbraw/zinc/13/99/86/346139986.db2.gz	SDLXGWSKJUHFLR-UHFFFAOYSA-N	0	0	169.293	3.269	10	0		AGAERN
Cc1cnc(Cl)nc1C1CCCC1	307605251	346142414	/nfs/dbraw/zinc/14/24/14/346142414.db2.gz	XYGCOOPYNSZFRB-UHFFFAOYSA-N	0	0	196.681	3.096	10	0		AGAERN
CCc1c(Cl)cc(N)cc1Cl	307607983	346143847	/nfs/dbraw/zinc/14/38/47/346143847.db2.gz	DBTYJCKTUYGWHQ-UHFFFAOYSA-N	0	0	190.073	3.138	10	0		AGAERN
Cc1cc(C)c(C(=O)C2(C)CC2)s1	307610595	346145653	/nfs/dbraw/zinc/14/56/53/346145653.db2.gz	HNZIFMDEHKACCJ-UHFFFAOYSA-N	0	0	194.299	3.348	10	0		AGAERN
CC1(C)CC[C@@H]1Nc1ccccc1	307616562	346149691	/nfs/dbraw/zinc/14/96/91/346149691.db2.gz	QJPTXLOEHZXGOX-NSHDSACASA-N	0	0	175.275	3.287	10	0		AGAERN
CC1(C)CC[C@H]1Nc1ccccc1	307616561	346149693	/nfs/dbraw/zinc/14/96/93/346149693.db2.gz	QJPTXLOEHZXGOX-LLVKDONJSA-N	0	0	175.275	3.287	10	0		AGAERN
CCCNc1nccc2ccsc12	307622800	346153656	/nfs/dbraw/zinc/15/36/56/346153656.db2.gz	LQFYVWILMFHGDI-UHFFFAOYSA-N	0	0	192.287	3.118	10	0		AGAERN
FCc1cc(Cl)c(F)cc1F	307627934	346156358	/nfs/dbraw/zinc/15/63/58/346156358.db2.gz	JQOABRLVTFZPCK-UHFFFAOYSA-N	0	0	180.556	3.088	10	0		AGAERN
Cc1c(OCF)ccc(F)c1Cl	307628746	346156930	/nfs/dbraw/zinc/15/69/30/346156930.db2.gz	UMIFXECMPATZHF-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
CCc1nc([C@H](C)C(C)C)c(N)s1	307629966	346157318	/nfs/dbraw/zinc/15/73/18/346157318.db2.gz	WADLPWBMSFRTSS-SSDOTTSWSA-N	0	0	198.335	3.047	10	0		AGAERN
CCc1nc([C@@H](C)C(C)C)c(N)s1	307629973	346157684	/nfs/dbraw/zinc/15/76/84/346157684.db2.gz	WADLPWBMSFRTSS-ZETCQYMHSA-N	0	0	198.335	3.047	10	0		AGAERN
Cc1ccc(C(F)(F)F)c(C)c1F	307630941	346157955	/nfs/dbraw/zinc/15/79/55/346157955.db2.gz	XCIZZDFHRIKRBN-UHFFFAOYSA-N	0	0	192.155	3.461	10	0		AGAERN
Cc1cc(Cl)cc(F)c1CF	307630978	346158074	/nfs/dbraw/zinc/15/80/74/346158074.db2.gz	XJJWXTQYLIYYHV-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
CCc1scc(N)c1C1CCC1	307631087	346158631	/nfs/dbraw/zinc/15/86/31/346158631.db2.gz	OPWBPRAASKQYKM-UHFFFAOYSA-N	0	0	181.304	3.160	10	0		AGAERN
S=c1nccc(C2=CCCCC2)[nH]1	307635151	346160613	/nfs/dbraw/zinc/16/06/13/346160613.db2.gz	UTRKCIXBLLSPNK-UHFFFAOYSA-N	0	0	192.287	3.097	10	0		AGAERN
C=COc1ccc(Cl)cc1F	307636163	346161005	/nfs/dbraw/zinc/16/10/05/346161005.db2.gz	UFKJNXNXPOZJBR-UHFFFAOYSA-N	0	0	172.586	3.001	10	0		AGAERN
CCOc1c(C)ccc(Cl)c1F	307636372	346161020	/nfs/dbraw/zinc/16/10/20/346161020.db2.gz	UKNJPTVBQWJQHA-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
CSc1cc(F)c(F)c(Cl)c1	307635746	346161207	/nfs/dbraw/zinc/16/12/07/346161207.db2.gz	SMDWIYBNCLZALJ-UHFFFAOYSA-N	0	0	194.633	3.340	10	0		AGAERN
CSc1cccc(C(=O)C2CC2)c1	307635887	346161268	/nfs/dbraw/zinc/16/12/68/346161268.db2.gz	SQXGSIWZOVPFAS-UHFFFAOYSA-N	0	0	192.283	3.001	10	0		AGAERN
CCCc1ncc2ccccc2c1F	307635497	346161283	/nfs/dbraw/zinc/16/12/83/346161283.db2.gz	RUQAUVHHZSZPDP-UHFFFAOYSA-N	0	0	189.233	3.326	10	0		AGAERN
CCOc1cc(C)c(Cl)cc1F	307637210	346161704	/nfs/dbraw/zinc/16/17/04/346161704.db2.gz	WGNXICSIAPKPBS-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
CC1(C)CCC(CC2(CO)CC2)CC1	307639257	346162751	/nfs/dbraw/zinc/16/27/51/346162751.db2.gz	FFWHWXXRMALMQB-UHFFFAOYSA-N	0	0	196.334	3.365	10	0		AGAERN
Cc1ccc(F)c(Cl)c1CF	307641967	346163827	/nfs/dbraw/zinc/16/38/27/346163827.db2.gz	KLWIYGFAYGLQAL-UHFFFAOYSA-N	0	0	176.593	3.257	10	0		AGAERN
COc1cc(SC)cc(C)c1C	307642577	346164324	/nfs/dbraw/zinc/16/43/24/346164324.db2.gz	MAJJVGQYRKCJBV-UHFFFAOYSA-N	0	0	182.288	3.034	10	0		AGAERN
CSc1c(F)cc(Cl)cc1F	307647017	346165820	/nfs/dbraw/zinc/16/58/20/346165820.db2.gz	DCVHZMVTQUONCG-UHFFFAOYSA-N	0	0	194.633	3.340	10	0		AGAERN
CCc1c(F)ccc(F)c1C(F)F	307650499	346166855	/nfs/dbraw/zinc/16/68/55/346166855.db2.gz	KCEVASMDQATHSM-UHFFFAOYSA-N	0	0	192.155	3.465	10	0		AGAERN
CCc1c(F)cc(F)cc1C(F)F	307653388	346167097	/nfs/dbraw/zinc/16/70/97/346167097.db2.gz	PKSARXQHVHLDGD-UHFFFAOYSA-N	0	0	192.155	3.465	10	0		AGAERN
CSCCCCC(F)(F)F	307657713	346168615	/nfs/dbraw/zinc/16/86/15/346168615.db2.gz	ACQJCEDLHNNRBF-UHFFFAOYSA-N	0	0	172.215	3.082	10	0		AGAERN
FCCSc1ccc(F)c(F)c1	307658320	346169393	/nfs/dbraw/zinc/16/93/93/346169393.db2.gz	DDVVNMCNGDPYCR-UHFFFAOYSA-N	0	0	192.205	3.026	10	0		AGAERN
Cc1cscc1NC[C@@H]1C[C@@H]1C	307659229	346169767	/nfs/dbraw/zinc/16/97/67/346169767.db2.gz	BVWDTEJOBRQESF-CBAPKCEASA-N	0	0	181.304	3.124	10	0		AGAERN
Cc1cscc1NC[C@H]1C[C@@H]1C	307659230	346169774	/nfs/dbraw/zinc/16/97/74/346169774.db2.gz	BVWDTEJOBRQESF-IONNQARKSA-N	0	0	181.304	3.124	10	0		AGAERN
Cc1cscc1NC[C@@H]1C[C@H]1C	307659228	346169799	/nfs/dbraw/zinc/16/97/99/346169799.db2.gz	BVWDTEJOBRQESF-APPZFPTMSA-N	0	0	181.304	3.124	10	0		AGAERN
Cc1cscc1NC[C@H]1C[C@H]1C	307659231	346169909	/nfs/dbraw/zinc/16/99/09/346169909.db2.gz	BVWDTEJOBRQESF-VXNVDRBHSA-N	0	0	181.304	3.124	10	0		AGAERN
CCC1([C@H](O)c2ccccc2F)CC1	307663036	346170699	/nfs/dbraw/zinc/17/06/99/346170699.db2.gz	IHQNRSPWAYZBNT-LLVKDONJSA-N	0	0	194.249	3.049	10	0		AGAERN
CCC1([C@@H](O)c2ccccc2F)CC1	307663038	346170788	/nfs/dbraw/zinc/17/07/88/346170788.db2.gz	IHQNRSPWAYZBNT-NSHDSACASA-N	0	0	194.249	3.049	10	0		AGAERN
CC(C)C[C@@H]1CCc2c(N)cccc21	307666099	346172538	/nfs/dbraw/zinc/17/25/38/346172538.db2.gz	CSFLKWYJPHZBEC-JTQLQIEISA-N	0	0	189.302	3.345	10	0		AGAERN
CC(C)C[C@H]1CCc2c(N)cccc21	307666100	346172550	/nfs/dbraw/zinc/17/25/50/346172550.db2.gz	CSFLKWYJPHZBEC-SNVBAGLBSA-N	0	0	189.302	3.345	10	0		AGAERN
CC(C)[C@H](C)SCC(F)(F)F	307667238	346172735	/nfs/dbraw/zinc/17/27/35/346172735.db2.gz	GXLLAIXECICKBY-LURJTMIESA-N	0	0	186.242	3.326	10	0		AGAERN
Oc1ccc(C2=CCCC2)cc1F	307667717	346172670	/nfs/dbraw/zinc/17/26/70/346172670.db2.gz	IAOPNSSTXVDOSE-UHFFFAOYSA-N	0	0	178.206	3.099	10	0		AGAERN
C[C@@H](O)c1ccc2ccccc2c1F	307666801	346172777	/nfs/dbraw/zinc/17/27/77/346172777.db2.gz	NJMGVUQELJTXQP-MRVPVSSYSA-N	0	0	190.217	3.032	10	0		AGAERN
C[C@H](O)c1ccc2ccccc2c1F	307666802	346172913	/nfs/dbraw/zinc/17/29/13/346172913.db2.gz	NJMGVUQELJTXQP-QMMMGPOBSA-N	0	0	190.217	3.032	10	0		AGAERN
CC(C)[C@@H](C)SCC(F)(F)F	307667240	346172923	/nfs/dbraw/zinc/17/29/23/346172923.db2.gz	GXLLAIXECICKBY-ZCFIWIBFSA-N	0	0	186.242	3.326	10	0		AGAERN
CCCSCc1scnc1C	307667462	346172969	/nfs/dbraw/zinc/17/29/69/346172969.db2.gz	HQVQATQZSCCJDJ-UHFFFAOYSA-N	0	0	187.333	3.095	10	0		AGAERN
CCc1ccc(N)cc1N[C@@H](C)CC	307668862	346173718	/nfs/dbraw/zinc/17/37/18/346173718.db2.gz	REISCZALGOGQPX-VIFPVBQESA-N	0	0	192.306	3.042	10	0		AGAERN
CCc1ccc(N)cc1N[C@H](C)CC	307668861	346174051	/nfs/dbraw/zinc/17/40/51/346174051.db2.gz	REISCZALGOGQPX-SECBINFHSA-N	0	0	192.306	3.042	10	0		AGAERN
Cc1cc2c(cc1F)NCC[C@@H]2C	307671914	346175257	/nfs/dbraw/zinc/17/52/57/346175257.db2.gz	XRALNBFOAWIVRI-ZETCQYMHSA-N	0	0	179.238	3.053	10	0		AGAERN
Cc1cc2c(cc1F)NCC[C@H]2C	307671912	346175551	/nfs/dbraw/zinc/17/55/51/346175551.db2.gz	XRALNBFOAWIVRI-SSDOTTSWSA-N	0	0	179.238	3.053	10	0		AGAERN
Cc1cc(N)c(SC(C)C)cc1C	307675185	346176446	/nfs/dbraw/zinc/17/64/46/346176446.db2.gz	FJUFLJHBUNHVSJ-UHFFFAOYSA-N	0	0	195.331	3.386	10	0		AGAERN
CC(C)(C)C(C)(C)c1csc(N)n1	307678214	346178341	/nfs/dbraw/zinc/17/83/41/346178341.db2.gz	NUFYQZZXLBQHNE-UHFFFAOYSA-N	0	0	198.335	3.049	10	0		AGAERN
C[C@H](c1nccc(Cl)n1)C(C)(C)C	307681164	346179668	/nfs/dbraw/zinc/17/96/68/346179668.db2.gz	WVLVMGXNVDHVOZ-SSDOTTSWSA-N	0	0	198.697	3.280	10	0		AGAERN
C[C@@H](c1nccc(Cl)n1)C(C)(C)C	307681165	346179797	/nfs/dbraw/zinc/17/97/97/346179797.db2.gz	WVLVMGXNVDHVOZ-ZETCQYMHSA-N	0	0	198.697	3.280	10	0		AGAERN
S=c1cc(C2=CCCCC2)nc[nH]1	307683986	346181295	/nfs/dbraw/zinc/18/12/95/346181295.db2.gz	ICOJYUAJMBYELY-UHFFFAOYSA-N	0	0	192.287	3.097	10	0		AGAERN
Fc1cccc(SC2CCC2)c1	307683988	346181377	/nfs/dbraw/zinc/18/13/77/346181377.db2.gz	ICUKZSNDZLRNJE-UHFFFAOYSA-N	0	0	182.263	3.470	10	0		AGAERN
Cc1csc(N[C@H]2CCC2(C)C)n1	307685970	346182915	/nfs/dbraw/zinc/18/29/15/346182915.db2.gz	AKGLUEFWWLVCAU-QMMMGPOBSA-N	0	0	196.319	3.052	10	0		AGAERN
Cc1csc(N[C@@H]2CCC2(C)C)n1	307685966	346182962	/nfs/dbraw/zinc/18/29/62/346182962.db2.gz	AKGLUEFWWLVCAU-MRVPVSSYSA-N	0	0	196.319	3.052	10	0		AGAERN
CC[C@H](C)Nc1csc(Cl)n1	307688727	346184955	/nfs/dbraw/zinc/18/49/55/346184955.db2.gz	MEWCGCVPOVEBIN-YFKPBYRVSA-N	0	0	190.699	3.007	10	0		AGAERN
CC[C@@H](C)Nc1csc(Cl)n1	307688724	346185007	/nfs/dbraw/zinc/18/50/07/346185007.db2.gz	MEWCGCVPOVEBIN-RXMQYKEDSA-N	0	0	190.699	3.007	10	0		AGAERN
Cc1cccc(N)c1CCC(C)C	307691489	346186569	/nfs/dbraw/zinc/18/65/69/346186569.db2.gz	IWWOQCFFMGSECV-UHFFFAOYSA-N	0	0	177.291	3.166	10	0		AGAERN
CCCc1nc2c(s1)CCC2(C)C	307693906	346187805	/nfs/dbraw/zinc/18/78/05/346187805.db2.gz	YKBNAFFMSYOHKF-UHFFFAOYSA-N	0	0	195.331	3.319	10	0		AGAERN
Cc1ncc(N[C@H](C)C(C)(C)C)s1	307695168	346188980	/nfs/dbraw/zinc/18/89/80/346188980.db2.gz	ZQULFTPAUSULFZ-SSDOTTSWSA-N	0	0	198.335	3.298	10	0		AGAERN
Cc1ncc(N[C@@H](C)C(C)(C)C)s1	307695169	346189080	/nfs/dbraw/zinc/18/90/80/346189080.db2.gz	ZQULFTPAUSULFZ-ZETCQYMHSA-N	0	0	198.335	3.298	10	0		AGAERN
FCCSCC1CCCCC1	307696229	346189393	/nfs/dbraw/zinc/18/93/93/346189393.db2.gz	CTCDZGZVTULOIX-UHFFFAOYSA-N	0	0	176.300	3.269	10	0		AGAERN
CC/C=C/CCSCC	307695927	346189530	/nfs/dbraw/zinc/18/95/30/346189530.db2.gz	FYTYJZANQGJLSH-AATRIKPKSA-N	0	0	144.283	3.096	10	0		AGAERN
CCCSc1cc(C)c(C)cc1N	307696809	346190096	/nfs/dbraw/zinc/19/00/96/346190096.db2.gz	LAYKTCWXCSVXMT-UHFFFAOYSA-N	0	0	195.331	3.388	10	0		AGAERN
CC1(C[C@H]2CCCCC2=O)CCC1	307702030	346192991	/nfs/dbraw/zinc/19/29/91/346192991.db2.gz	OIJRPCJYBPRIFW-SNVBAGLBSA-N	0	0	180.291	3.326	10	0		AGAERN
CC1(C[C@@H]2CCCCC2=O)CCC1	307702028	346193081	/nfs/dbraw/zinc/19/30/81/346193081.db2.gz	OIJRPCJYBPRIFW-JTQLQIEISA-N	0	0	180.291	3.326	10	0		AGAERN
CC1CCC(CC2(O)CCC2)CC1	307703423	346193715	/nfs/dbraw/zinc/19/37/15/346193715.db2.gz	RGWVGDPSJCSXTO-UHFFFAOYSA-N	0	0	182.307	3.118	10	0		AGAERN
CCc1cccc(C(=O)C(C)(C)F)c1	307712047	346197851	/nfs/dbraw/zinc/19/78/51/346197851.db2.gz	VZQOBYHBLNNIKW-UHFFFAOYSA-N	0	0	194.249	3.180	10	0		AGAERN
CC(C)(C)CSC1CCC1	307713305	346198990	/nfs/dbraw/zinc/19/89/90/346198990.db2.gz	BISIFIAZFZKGER-UHFFFAOYSA-N	0	0	158.310	3.318	10	0		AGAERN
Cc1cscc1-c1ccccc1N	307713648	346199004	/nfs/dbraw/zinc/19/90/04/346199004.db2.gz	CESCTUPVHGYCNP-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
CSCSc1ccccc1C	307716113	346199961	/nfs/dbraw/zinc/19/99/61/346199961.db2.gz	HBPSROWRSUGBPN-UHFFFAOYSA-N	0	0	184.329	3.408	10	0		AGAERN
CC(C)(F)C(=O)C1CCCCCC1	307719469	346201383	/nfs/dbraw/zinc/20/13/83/346201383.db2.gz	RPKDKFRHZZUUER-UHFFFAOYSA-N	0	0	186.270	3.274	10	0		AGAERN
COc1cccc([C@@H](C)SC)c1	307720777	346201891	/nfs/dbraw/zinc/20/18/91/346201891.db2.gz	PKHSQPSMAYRWTB-MRVPVSSYSA-N	0	0	182.288	3.119	10	0		AGAERN
COc1cccc([C@H](C)SC)c1	307720778	346202202	/nfs/dbraw/zinc/20/22/02/346202202.db2.gz	PKHSQPSMAYRWTB-QMMMGPOBSA-N	0	0	182.288	3.119	10	0		AGAERN
Cc1ccc(Cl)c(NCC(C)C)n1	307725375	346204649	/nfs/dbraw/zinc/20/46/49/346204649.db2.gz	AXYRXNBVTJOBNV-UHFFFAOYSA-N	0	0	198.697	3.111	10	0		AGAERN
Cc1csc(C(=O)C2CCCC2)c1	307725304	346204784	/nfs/dbraw/zinc/20/47/84/346204784.db2.gz	BQJSBPKRHNQGCV-UHFFFAOYSA-N	0	0	194.299	3.429	10	0		AGAERN
Cc1cnc(NCC2(C)CCC2)s1	307726753	346205851	/nfs/dbraw/zinc/20/58/51/346205851.db2.gz	DDZNHWBFRYQUPE-UHFFFAOYSA-N	0	0	196.319	3.054	10	0		AGAERN
CC(C)Sc1ccc(F)c(F)c1	307728778	346206832	/nfs/dbraw/zinc/20/68/32/346206832.db2.gz	GLRUDVCAVHZWKX-UHFFFAOYSA-N	0	0	188.242	3.465	10	0		AGAERN
c1cc(N[C@H]2CCC[C@H]3C[C@H]32)cs1	307730746	346208227	/nfs/dbraw/zinc/20/82/27/346208227.db2.gz	IPFRESHFLONGBS-GDPRMGEGSA-N	0	0	193.315	3.349	10	0		AGAERN
CCC(C)(C)C(=O)c1csc(C)n1	307731239	346208259	/nfs/dbraw/zinc/20/82/59/346208259.db2.gz	JRHIFEWMKGEVNO-UHFFFAOYSA-N	0	0	197.303	3.070	10	0		AGAERN
Cc1ccc(Cl)c(Cl)c1C=O	307734267	346209864	/nfs/dbraw/zinc/20/98/64/346209864.db2.gz	VHVYDWUZWITQTA-UHFFFAOYSA-N	0	0	189.041	3.114	10	0		AGAERN
C/C=C/COc1ccc(C)c(C)c1	307738051	346211683	/nfs/dbraw/zinc/21/16/83/346211683.db2.gz	VZFISOYUTUVQHU-SNAWJCMRSA-N	0	0	176.259	3.258	10	0		AGAERN
CCSc1nc2cc(C)ccc2o1	307736972	346211687	/nfs/dbraw/zinc/21/16/87/346211687.db2.gz	TVKJROTYYDAKSY-UHFFFAOYSA-N	0	0	193.271	3.248	10	0		AGAERN
CC[C@H]1CC[C@H]([C@H](O)C(C)C)CC1	307738376	346212062	/nfs/dbraw/zinc/21/20/62/346212062.db2.gz	WQJAVGFZZIYRHM-IJLUTSLNSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H]1CC[C@H]([C@@H](O)C(C)C)CC1	307738377	346212103	/nfs/dbraw/zinc/21/21/03/346212103.db2.gz	WQJAVGFZZIYRHM-SRVKXCTJSA-N	0	0	184.323	3.220	10	0		AGAERN
CSCc1ccc(Cl)c(F)c1	307740625	346212935	/nfs/dbraw/zinc/21/29/35/346212935.db2.gz	HVGCJOLSTSMUIX-UHFFFAOYSA-N	0	0	190.670	3.342	10	0		AGAERN
CCC[C@H](CC)SCCOCC	307967442	346243707	/nfs/dbraw/zinc/24/37/07/346243707.db2.gz	DEOJGVZAPJJLPW-JTQLQIEISA-N	0	0	190.352	3.335	10	0		AGAERN
CC(C)[C@](C)(O)CC1(C)CCCC1	307753711	346223051	/nfs/dbraw/zinc/22/30/51/346223051.db2.gz	WUUNLXQLPXIYEA-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)[C@@](C)(O)CC1(C)CCCC1	307753712	346223156	/nfs/dbraw/zinc/22/31/56/346223156.db2.gz	WUUNLXQLPXIYEA-LBPRGKRZSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1c(F)cccc1C(=O)C(C)(C)C	307754222	346223153	/nfs/dbraw/zinc/22/31/53/346223153.db2.gz	YMSNLZXCNFJELE-UHFFFAOYSA-N	0	0	194.249	3.363	10	0		AGAERN
FCCCSC1CCCCC1	307754855	346223813	/nfs/dbraw/zinc/22/38/13/346223813.db2.gz	BNHJEXHDZQQVRU-UHFFFAOYSA-N	0	0	176.300	3.412	10	0		AGAERN
CCN(c1cccc(C)c1)C(C)C	307758461	346225711	/nfs/dbraw/zinc/22/57/11/346225711.db2.gz	OTGMPZDZENMZOD-UHFFFAOYSA-N	0	0	177.291	3.230	10	0		AGAERN
C[C@@H]1C(=O)C(C)(C)[C@@H]1c1ccsc1	307759332	346226307	/nfs/dbraw/zinc/22/63/07/346226307.db2.gz	RGKGOOGWDJNVKU-CBAPKCEASA-N	0	0	194.299	3.077	10	0		AGAERN
C[C@@H]1C(=O)C(C)(C)[C@H]1c1ccsc1	307759333	346226365	/nfs/dbraw/zinc/22/63/65/346226365.db2.gz	RGKGOOGWDJNVKU-IONNQARKSA-N	0	0	194.299	3.077	10	0		AGAERN
C[C@H]1C(=O)C(C)(C)[C@@H]1c1ccsc1	307759331	346226381	/nfs/dbraw/zinc/22/63/81/346226381.db2.gz	RGKGOOGWDJNVKU-APPZFPTMSA-N	0	0	194.299	3.077	10	0		AGAERN
C[C@H]1C(=O)C(C)(C)[C@H]1c1ccsc1	307759334	346226700	/nfs/dbraw/zinc/22/67/00/346226700.db2.gz	RGKGOOGWDJNVKU-VXNVDRBHSA-N	0	0	194.299	3.077	10	0		AGAERN
C/C=C\CSC1CCCC1	307784600	346228352	/nfs/dbraw/zinc/22/83/52/346228352.db2.gz	ADLLUQIVBCVIOO-IHWYPQMZSA-N	0	0	156.294	3.238	10	0		AGAERN
C/C=C\CSC[C@H](C)CC	307776883	346228435	/nfs/dbraw/zinc/22/84/35/346228435.db2.gz	IDDNLPIPPWQOHD-XTULLQBASA-N	0	0	158.310	3.342	10	0		AGAERN
C/C=C\CSC[C@@H](C)CC	307776880	346228615	/nfs/dbraw/zinc/22/86/15/346228615.db2.gz	IDDNLPIPPWQOHD-RNEXMXFGSA-N	0	0	158.310	3.342	10	0		AGAERN
CC[C@H](C)SCCC(F)(F)F	307853303	346230554	/nfs/dbraw/zinc/23/05/54/346230554.db2.gz	BKYQSKVLUPVMLF-LURJTMIESA-N	0	0	186.242	3.471	10	0		AGAERN
CC/C=C\CCSCC1CC1	307858637	346230617	/nfs/dbraw/zinc/23/06/17/346230617.db2.gz	FSZHQWFPGBCZIT-ARJAWSKDSA-N	0	0	170.321	3.486	10	0		AGAERN
CC[C@@H](C)SCCC(F)(F)F	307853304	346230790	/nfs/dbraw/zinc/23/07/90/346230790.db2.gz	BKYQSKVLUPVMLF-ZCFIWIBFSA-N	0	0	186.242	3.471	10	0		AGAERN
CC/C=C/CCSCC1CC1	307858640	346230858	/nfs/dbraw/zinc/23/08/58/346230858.db2.gz	FSZHQWFPGBCZIT-ONEGZZNKSA-N	0	0	170.321	3.486	10	0		AGAERN
CC(C)=CCSCCCCF	307862616	346231540	/nfs/dbraw/zinc/23/15/40/346231540.db2.gz	HRMRNIPYARNSKE-UHFFFAOYSA-N	0	0	176.300	3.436	10	0		AGAERN
C/C(=C\Cl)CNc1ccsc1	307875542	346231879	/nfs/dbraw/zinc/23/18/79/346231879.db2.gz	MKJMMFNIMQOZND-QPJJXVBHSA-N	0	0	187.695	3.303	10	0		AGAERN
C1CC(CSCCC2CC2)C1	307894499	346233111	/nfs/dbraw/zinc/23/31/11/346233111.db2.gz	HEXIOAGODCETFJ-UHFFFAOYSA-N	0	0	170.321	3.320	10	0		AGAERN
CSCCCSCCC1CC1	307918852	346235346	/nfs/dbraw/zinc/23/53/46/346235346.db2.gz	FNCZEICDRSILGA-UHFFFAOYSA-N	0	0	190.377	3.273	10	0		AGAERN
CC/C=C\CCCCC[C@H](C)O	307936393	346237066	/nfs/dbraw/zinc/23/70/66/346237066.db2.gz	NBQHIXOGTONWQJ-WYGGZMRJSA-N	0	0	170.296	3.284	10	0		AGAERN
CC/C=C\CCCCC[C@@H](C)O	307936392	346237103	/nfs/dbraw/zinc/23/71/03/346237103.db2.gz	NBQHIXOGTONWQJ-DOGVGXBMSA-N	0	0	170.296	3.284	10	0		AGAERN
C/C=C/CSCc1nc(C)cs1	307939650	346237612	/nfs/dbraw/zinc/23/76/12/346237612.db2.gz	BDMOOFQPJGMLIG-ONEGZZNKSA-N	0	0	199.344	3.261	10	0		AGAERN
C/C=C\CSCc1nc(C)cs1	307939649	346237817	/nfs/dbraw/zinc/23/78/17/346237817.db2.gz	BDMOOFQPJGMLIG-ARJAWSKDSA-N	0	0	199.344	3.261	10	0		AGAERN
CC[C@H](C)CSCCCCOC	307942809	346238280	/nfs/dbraw/zinc/23/82/80/346238280.db2.gz	DOKZCBDORVGFED-JTQLQIEISA-N	0	0	190.352	3.192	10	0		AGAERN
CC[C@@H](C)CSCCCCOC	307942811	346238348	/nfs/dbraw/zinc/23/83/48/346238348.db2.gz	DOKZCBDORVGFED-SNVBAGLBSA-N	0	0	190.352	3.192	10	0		AGAERN
CCC(C)(C)CCSCCOC	307943389	346239008	/nfs/dbraw/zinc/23/90/08/346239008.db2.gz	FMEAMFSVYMCSMU-UHFFFAOYSA-N	0	0	190.352	3.192	10	0		AGAERN
C[C@H](CSCC1CC1)C(F)(F)F	307948468	346240195	/nfs/dbraw/zinc/24/01/95/346240195.db2.gz	LWFKIDOXANPRNU-ZCFIWIBFSA-N	0	0	198.253	3.328	10	0		AGAERN
CC(C)=CCSCCOC(C)C	307955194	346240831	/nfs/dbraw/zinc/24/08/31/346240831.db2.gz	DYPXPCFIRFAUKO-UHFFFAOYSA-N	0	0	188.336	3.111	10	0		AGAERN
CCC(CC)SCCOC(C)C	307967752	346243691	/nfs/dbraw/zinc/24/36/91/346243691.db2.gz	DKCUHVGASGLNGK-UHFFFAOYSA-N	0	0	190.352	3.333	10	0		AGAERN
CCCSCc1ccccc1F	307967979	346243699	/nfs/dbraw/zinc/24/36/99/346243699.db2.gz	DNHOVHDDCCMXRG-UHFFFAOYSA-N	0	0	184.279	3.469	10	0		AGAERN
CCC[C@@H](CC)SCCOCC	307967443	346243725	/nfs/dbraw/zinc/24/37/25/346243725.db2.gz	DEOJGVZAPJJLPW-SNVBAGLBSA-N	0	0	190.352	3.335	10	0		AGAERN
CCCCCS[C@H](C)CCOC	307969520	346244454	/nfs/dbraw/zinc/24/44/54/346244454.db2.gz	FYSPNZULTTWTPY-SNVBAGLBSA-N	0	0	190.352	3.335	10	0		AGAERN
CCCCCS[C@@H](C)CCOC	307969519	346244511	/nfs/dbraw/zinc/24/45/11/346244511.db2.gz	FYSPNZULTTWTPY-JTQLQIEISA-N	0	0	190.352	3.335	10	0		AGAERN
COCCSCCCC(C)(C)C	307969912	346244517	/nfs/dbraw/zinc/24/45/17/346244517.db2.gz	GGLFAOWUGAGIFE-UHFFFAOYSA-N	0	0	190.352	3.192	10	0		AGAERN
CCCSCc1cccnc1C	307971185	346244992	/nfs/dbraw/zinc/24/49/92/346244992.db2.gz	HEWICEIFAWRVQX-UHFFFAOYSA-N	0	0	181.304	3.033	10	0		AGAERN
CC(=O)C[C@H]1C=CCCCCC1	307973246	346245414	/nfs/dbraw/zinc/24/54/14/346245414.db2.gz	BMVOLVXNMVJLJM-NSHDSACASA-N	0	0	166.264	3.102	10	0		AGAERN
CC(=O)C[C@@H]1C=CCCCCC1	307973245	346245537	/nfs/dbraw/zinc/24/55/37/346245537.db2.gz	BMVOLVXNMVJLJM-LLVKDONJSA-N	0	0	166.264	3.102	10	0		AGAERN
CCC(CC)SC1CCOCC1	307982378	346246921	/nfs/dbraw/zinc/24/69/21/346246921.db2.gz	PLKCYLKNXWLZSJ-UHFFFAOYSA-N	0	0	188.336	3.087	10	0		AGAERN
CC[C@H](C)CSCCOC(C)C	308008323	346250180	/nfs/dbraw/zinc/25/01/80/346250180.db2.gz	DZXMXEMHTDQMJG-JTQLQIEISA-N	0	0	190.352	3.191	10	0		AGAERN
CC[C@@H](C)CSCCOC(C)C	308008327	346250264	/nfs/dbraw/zinc/25/02/64/346250264.db2.gz	DZXMXEMHTDQMJG-SNVBAGLBSA-N	0	0	190.352	3.191	10	0		AGAERN
CCCCSCc1cc(C)on1	308040705	346251694	/nfs/dbraw/zinc/25/16/94/346251694.db2.gz	NEPOWCUDHINZFJ-UHFFFAOYSA-N	0	0	185.292	3.016	10	0		AGAERN
CCCCSCCC(C)(C)OC	308034808	346251845	/nfs/dbraw/zinc/25/18/45/346251845.db2.gz	KDJDPPIVISMJPU-UHFFFAOYSA-N	0	0	190.352	3.335	10	0		AGAERN
CCOCCCSCC=C(C)C	308073753	346253936	/nfs/dbraw/zinc/25/39/36/346253936.db2.gz	BZMSVXXRFNPZGH-UHFFFAOYSA-N	0	0	188.336	3.112	10	0		AGAERN
c1csc(CSCCC2CC2)n1	308073771	346254170	/nfs/dbraw/zinc/25/41/70/346254170.db2.gz	CMPDXSFEZWWVQQ-UHFFFAOYSA-N	0	0	199.344	3.176	10	0		AGAERN
FC(F)(F)CCSCC1CCC1	308080031	346254461	/nfs/dbraw/zinc/25/44/61/346254461.db2.gz	IEMBOLYFAOCKSF-UHFFFAOYSA-N	0	0	198.253	3.472	10	0		AGAERN
CCC[C@H](NO)c1ccccc1Cl	308085887	346255083	/nfs/dbraw/zinc/25/50/83/346255083.db2.gz	AOSFRYKWCPAVIB-JTQLQIEISA-N	0	0	199.681	3.160	10	0		AGAERN
CCC[C@H](NO)c1cccc(Cl)c1	308092912	346255825	/nfs/dbraw/zinc/25/58/25/346255825.db2.gz	PIPOTDRJBOEWBN-JTQLQIEISA-N	0	0	199.681	3.160	10	0		AGAERN
CCC[C@@H](NO)c1cccc(Cl)c1	308092914	346255984	/nfs/dbraw/zinc/25/59/84/346255984.db2.gz	PIPOTDRJBOEWBN-SNVBAGLBSA-N	0	0	199.681	3.160	10	0		AGAERN
C/C=C\COc1cc(F)ccc1C	308105468	346256428	/nfs/dbraw/zinc/25/64/28/346256428.db2.gz	KFNJQPBIBKSKQB-ARJAWSKDSA-N	0	0	180.222	3.089	10	0		AGAERN
CC(=O)[C@H](C)[C@H]1C=CCCCCC1	308125842	346257599	/nfs/dbraw/zinc/25/75/99/346257599.db2.gz	ATRHBXWPZCFXKT-JQWIXIFHSA-N	0	0	180.291	3.348	10	0		AGAERN
CC(=O)[C@@H](C)[C@@H]1C=CCCCCC1	308125850	346257578	/nfs/dbraw/zinc/25/75/78/346257578.db2.gz	ATRHBXWPZCFXKT-ZYHUDNBSSA-N	0	0	180.291	3.348	10	0		AGAERN
CC(=O)[C@H](C)[C@@H]1C=CCCCCC1	308125839	346257609	/nfs/dbraw/zinc/25/76/09/346257609.db2.gz	ATRHBXWPZCFXKT-CMPLNLGQSA-N	0	0	180.291	3.348	10	0		AGAERN
CC(=O)[C@@H](C)[C@H]1C=CCCCCC1	308125847	346257629	/nfs/dbraw/zinc/25/76/29/346257629.db2.gz	ATRHBXWPZCFXKT-PWSUYJOCSA-N	0	0	180.291	3.348	10	0		AGAERN
CC(C)SCCOc1ccccc1	308125446	346257701	/nfs/dbraw/zinc/25/77/01/346257701.db2.gz	ARULBNVURIDFAW-UHFFFAOYSA-N	0	0	196.315	3.207	10	0		AGAERN
CC(C)CCCSCc1ccno1	308131357	346258460	/nfs/dbraw/zinc/25/84/60/346258460.db2.gz	BBYIWELJUKCMHQ-UHFFFAOYSA-N	0	0	199.319	3.344	10	0		AGAERN
Cc1cccc(CSCC(C)C)n1	308131310	346258511	/nfs/dbraw/zinc/25/85/11/346258511.db2.gz	AYXDSMSLILMCJR-UHFFFAOYSA-N	0	0	195.331	3.279	10	0		AGAERN
CC(C)(C)CCSCc1ccon1	308136586	346258734	/nfs/dbraw/zinc/25/87/34/346258734.db2.gz	FQRGWPGMYBNPTH-UHFFFAOYSA-N	0	0	199.319	3.344	10	0		AGAERN
CC(C)OC(=O)[C@@H](C)CC(C)(C)C	308133135	346258884	/nfs/dbraw/zinc/25/88/84/346258884.db2.gz	CKPHPYXTWUJCQI-VIFPVBQESA-N	0	0	186.295	3.010	10	0		AGAERN
CC(C)CSCCc1cccnc1	308132782	346258959	/nfs/dbraw/zinc/25/89/59/346258959.db2.gz	CCTNOWWQSGFTNJ-UHFFFAOYSA-N	0	0	195.331	3.013	10	0		AGAERN
CC(C)OC(=O)[C@H](C)CC(C)(C)C	308133134	346259068	/nfs/dbraw/zinc/25/90/68/346259068.db2.gz	CKPHPYXTWUJCQI-SECBINFHSA-N	0	0	186.295	3.010	10	0		AGAERN
CC(C)=CCSCc1cc(C)no1	308138189	346259313	/nfs/dbraw/zinc/25/93/13/346259313.db2.gz	AAYYWRZWOOCKMP-UHFFFAOYSA-N	0	0	197.303	3.182	10	0		AGAERN
CCOCCCSC[C@H](C)CC	308137521	346259432	/nfs/dbraw/zinc/25/94/32/346259432.db2.gz	FFLLGJILRSDATM-SNVBAGLBSA-N	0	0	190.352	3.192	10	0		AGAERN
CCOCCCSC[C@@H](C)CC	308137518	346259451	/nfs/dbraw/zinc/25/94/51/346259451.db2.gz	FFLLGJILRSDATM-JTQLQIEISA-N	0	0	190.352	3.192	10	0		AGAERN
Cc1ccccc1CSCCF	308140006	346259909	/nfs/dbraw/zinc/25/99/09/346259909.db2.gz	GSFZDKKSMLEBED-UHFFFAOYSA-N	0	0	184.279	3.198	10	0		AGAERN
CCC(=O)C[C@H]1C=CCCCCC1	308159558	346263611	/nfs/dbraw/zinc/26/36/11/346263611.db2.gz	WSFBDVPQPUSHHU-NSHDSACASA-N	0	0	180.291	3.492	10	0		AGAERN
CCC(=O)C[C@@H]1C=CCCCCC1	308159557	346263666	/nfs/dbraw/zinc/26/36/66/346263666.db2.gz	WSFBDVPQPUSHHU-LLVKDONJSA-N	0	0	180.291	3.492	10	0		AGAERN
C/C=C\COc1cccc(C)c1C	308165053	346264664	/nfs/dbraw/zinc/26/46/64/346264664.db2.gz	QGIMHRRDVPMTLA-PLNGDYQASA-N	0	0	176.259	3.258	10	0		AGAERN
CCCCCN(CCC)CC(F)F	308173280	346266648	/nfs/dbraw/zinc/26/66/48/346266648.db2.gz	CEFPVQLZRLAMJM-UHFFFAOYSA-N	0	0	193.281	3.154	10	0		AGAERN
CCC[C@@H](NO)c1ccccc1Cl	308175577	346266657	/nfs/dbraw/zinc/26/66/57/346266657.db2.gz	AOSFRYKWCPAVIB-SNVBAGLBSA-N	0	0	199.681	3.160	10	0		AGAERN
CCCSCc1cccc(OC)c1	308209904	346269596	/nfs/dbraw/zinc/26/95/96/346269596.db2.gz	FWBCRBNWSQAXKL-UHFFFAOYSA-N	0	0	196.315	3.338	10	0		AGAERN
Cc1sccc1/C=C(/CO)C(C)C	308206018	346269732	/nfs/dbraw/zinc/26/97/32/346269732.db2.gz	SYFXCQHJHGUCLL-WDZFZDKYSA-N	0	0	196.315	3.088	10	0		AGAERN
CCCSCc1c(CC)noc1C	308209931	346269765	/nfs/dbraw/zinc/26/97/65/346269765.db2.gz	FXFOZYXMBDNVRU-UHFFFAOYSA-N	0	0	199.319	3.189	10	0		AGAERN
CCCCSCCc1cccnc1	308212477	346270188	/nfs/dbraw/zinc/27/01/88/346270188.db2.gz	HBUADSPAHQFJSF-UHFFFAOYSA-N	0	0	195.331	3.157	10	0		AGAERN
CCCSCc1nccn1C(C)C	308223810	346272438	/nfs/dbraw/zinc/27/24/38/346272438.db2.gz	MGQILDNYSHFKOT-UHFFFAOYSA-N	0	0	198.335	3.107	10	0		AGAERN
CCCCC[C@@H]1C[C@@H]1C/C=C\CO	308239099	346273782	/nfs/dbraw/zinc/27/37/82/346273782.db2.gz	XHYRDXCRUCFCAR-DUVUQDDDSA-N	0	0	182.307	3.141	10	0		AGAERN
C[C@H](SCCCF)c1cccnc1	308250989	346275841	/nfs/dbraw/zinc/27/58/41/346275841.db2.gz	AZNULPZBCWTNFZ-VIFPVBQESA-N	0	0	199.294	3.235	10	0		AGAERN
C[C@@H](SCCCF)c1cccnc1	308250988	346275876	/nfs/dbraw/zinc/27/58/76/346275876.db2.gz	AZNULPZBCWTNFZ-SECBINFHSA-N	0	0	199.294	3.235	10	0		AGAERN
c1ccc(CCSCC2CC2)cc1	308252624	346276523	/nfs/dbraw/zinc/27/65/23/346276523.db2.gz	GPZLFSJWGBGUNG-UHFFFAOYSA-N	0	0	192.327	3.372	10	0		AGAERN
c1ccc(CSCCC2CC2)nc1	308272793	346279632	/nfs/dbraw/zinc/27/96/32/346279632.db2.gz	SZUCKDCGKXFWBX-UHFFFAOYSA-N	0	0	193.315	3.115	10	0		AGAERN
CC/C(=C\c1c(C)cccc1C)CO	308333744	346291164	/nfs/dbraw/zinc/29/11/64/346291164.db2.gz	ISTUQEPRGCHXAM-XYOKQWHBSA-N	0	0	190.286	3.089	10	0		AGAERN
CCC[C@H](NO)c1ccc(C)cc1C	308360610	346292356	/nfs/dbraw/zinc/29/23/56/346292356.db2.gz	DPWRGAXQUODWRM-LBPRGKRZSA-N	0	0	193.290	3.123	10	0		AGAERN
CC[C@H](NO)c1ccc(C(C)C)cc1	308362176	346292778	/nfs/dbraw/zinc/29/27/78/346292778.db2.gz	HEWWYWSFLQLWDA-LBPRGKRZSA-N	0	0	193.290	3.240	10	0		AGAERN
CCC[C@H](NO)c1cc(C)ccc1C	308365430	346293053	/nfs/dbraw/zinc/29/30/53/346293053.db2.gz	MZBQFNSIZAFCAU-LBPRGKRZSA-N	0	0	193.290	3.123	10	0		AGAERN
CCC[C@@H](NO)c1ccc(C)cc1C	308371918	346293928	/nfs/dbraw/zinc/29/39/28/346293928.db2.gz	DPWRGAXQUODWRM-GFCCVEGCSA-N	0	0	193.290	3.123	10	0		AGAERN
CCCC[C@H](NO)c1cccc(F)c1	308370248	346293963	/nfs/dbraw/zinc/29/39/63/346293963.db2.gz	XDRKTMCABYDYEZ-NSHDSACASA-N	0	0	197.253	3.036	10	0		AGAERN
CCCC[C@H](NO)c1ccccc1C	308371271	346294200	/nfs/dbraw/zinc/29/42/00/346294200.db2.gz	ZXNJRTJECQDQJN-LBPRGKRZSA-N	0	0	193.290	3.205	10	0		AGAERN
CCCC[C@H](NO)c1ccc(C)cc1	308378300	346294505	/nfs/dbraw/zinc/29/45/05/346294505.db2.gz	PNMCSXZNLYHDLB-LBPRGKRZSA-N	0	0	193.290	3.205	10	0		AGAERN
CCCC[C@@H](NO)c1ccc(C)cc1	308377822	346294797	/nfs/dbraw/zinc/29/47/97/346294797.db2.gz	PNMCSXZNLYHDLB-GFCCVEGCSA-N	0	0	193.290	3.205	10	0		AGAERN
CCCC[C@H](NO)c1ccccc1F	308382424	346295191	/nfs/dbraw/zinc/29/51/91/346295191.db2.gz	XPTFECVPXHNVCY-NSHDSACASA-N	0	0	197.253	3.036	10	0		AGAERN
CCCC[C@@H](NO)c1cccc(F)c1	308382362	346295275	/nfs/dbraw/zinc/29/52/75/346295275.db2.gz	XDRKTMCABYDYEZ-LLVKDONJSA-N	0	0	197.253	3.036	10	0		AGAERN
Cc1ccncc1CSCC1CC1	308389074	346295925	/nfs/dbraw/zinc/29/59/25/346295925.db2.gz	WXTSLHMQGPZQPT-UHFFFAOYSA-N	0	0	193.315	3.033	10	0		AGAERN
CCC[C@@H](NO)c1ccc(CC)cc1	308386110	346296023	/nfs/dbraw/zinc/29/60/23/346296023.db2.gz	ITIANSAULQRSMM-GFCCVEGCSA-N	0	0	193.290	3.069	10	0		AGAERN
Cc1cc(CSCCC2CC2)no1	308386490	346296030	/nfs/dbraw/zinc/29/60/30/346296030.db2.gz	UWECZIGDZUDNLA-UHFFFAOYSA-N	0	0	197.303	3.016	10	0		AGAERN
CC(C)(C)C1CCC(/C=C\CO)CC1	308390500	346296792	/nfs/dbraw/zinc/29/67/92/346296792.db2.gz	KDFQMYCCASJTSR-PLNGDYQASA-N	0	0	196.334	3.387	10	0		AGAERN
C/C=C(/C)c1nc([C@H](C)CC)no1	308397160	346297369	/nfs/dbraw/zinc/29/73/69/346297369.db2.gz	DYQILIDBJXFTQN-QHRPWQPMSA-N	0	0	180.251	3.006	10	0		AGAERN
C/C=C(/C)c1nc([C@@H](C)CC)no1	308397161	346297476	/nfs/dbraw/zinc/29/74/76/346297476.db2.gz	DYQILIDBJXFTQN-VQKCLUMFSA-N	0	0	180.251	3.006	10	0		AGAERN
C/C=C\CNc1c(F)ccc(C)c1F	308400179	346298076	/nfs/dbraw/zinc/29/80/76/346298076.db2.gz	IZJORAWGDMUUBQ-ARJAWSKDSA-N	0	0	197.228	3.261	10	0		AGAERN
C/C=C\CNc1cc(F)c(C)cc1F	308405594	346298825	/nfs/dbraw/zinc/29/88/25/346298825.db2.gz	NJWAFVGYBLRBQT-ARJAWSKDSA-N	0	0	197.228	3.261	10	0		AGAERN
CCCCSCc1ncccc1C	308446142	346304064	/nfs/dbraw/zinc/30/40/64/346304064.db2.gz	BHCWBSXTFNQLPL-UHFFFAOYSA-N	0	0	195.331	3.423	10	0		AGAERN
CCCC[C@@H](NO)c1ccccc1C	308615491	346315160	/nfs/dbraw/zinc/31/51/60/346315160.db2.gz	ZXNJRTJECQDQJN-GFCCVEGCSA-N	0	0	193.290	3.205	10	0		AGAERN
c1ccc(-c2cnn3ccccc23)cc1	308802906	346318965	/nfs/dbraw/zinc/31/89/65/346318965.db2.gz	NLVHYGYQFOGNGO-UHFFFAOYSA-N	0	0	194.237	3.001	10	0		AGAERN
Cc1nc(CSC2CCC2)oc1C	334651920	346358614	/nfs/dbraw/zinc/35/86/14/346358614.db2.gz	DXNDLOGIEIIWDA-UHFFFAOYSA-N	0	0	197.303	3.077	10	0		AGAERN
C[C@H](c1noc(C2CC2)n1)C(C)(C)C	334758324	346363509	/nfs/dbraw/zinc/36/35/09/346363509.db2.gz	DKIJIPNRQWYJBG-SSDOTTSWSA-N	0	0	194.278	3.097	10	0		AGAERN
Cc1cncc(CSC2CCC2)c1	335228720	346384045	/nfs/dbraw/zinc/38/40/45/346384045.db2.gz	ALEVCFIESKWNSF-UHFFFAOYSA-N	0	0	193.315	3.176	10	0		AGAERN
CC(C)c1noc(C(F)=C2CCC2)n1	335277290	346385833	/nfs/dbraw/zinc/38/58/33/346385833.db2.gz	MUHUGKSWSWHUAN-UHFFFAOYSA-N	0	0	196.225	3.058	10	0		AGAERN
CC(C)c1noc([C@H]2CC=CCC2)n1	335809045	346420543	/nfs/dbraw/zinc/42/05/43/346420543.db2.gz	BPNWWUIKHXCCHL-VIFPVBQESA-N	0	0	192.262	3.017	10	0		AGAERN
Cc1ncn(CC2=CCCCC2)c1C	336202720	346445171	/nfs/dbraw/zinc/44/51/71/346445171.db2.gz	JUSMHCFRJSNLFZ-UHFFFAOYSA-N	0	0	190.290	3.000	10	0		AGAERN
Cc1nc(CSC2CCC2)cs1	336253952	346448590	/nfs/dbraw/zinc/44/85/90/346448590.db2.gz	AMYQRMTZYICSLA-UHFFFAOYSA-N	0	0	199.344	3.237	10	0		AGAERN
Cc1cccc(CSC2CCC2)n1	336271639	346450690	/nfs/dbraw/zinc/45/06/90/346450690.db2.gz	GNXRBWSDUYCXNG-UHFFFAOYSA-N	0	0	193.315	3.176	10	0		AGAERN
Cc1cnc([C@H](C)SC2CCC2)o1	336273382	346450698	/nfs/dbraw/zinc/45/06/98/346450698.db2.gz	GAOTVKZEKMJIBJ-QMMMGPOBSA-N	0	0	197.303	3.330	10	0		AGAERN
Cc1csc(CSC2CCC2)n1	336271629	346450766	/nfs/dbraw/zinc/45/07/66/346450766.db2.gz	FZCVIFZPCDEQNX-UHFFFAOYSA-N	0	0	199.344	3.237	10	0		AGAERN
Cc1ncsc1CSC1CCC1	336271656	346451102	/nfs/dbraw/zinc/45/11/02/346451102.db2.gz	HPZGAWHSQFIJMR-UHFFFAOYSA-N	0	0	199.344	3.237	10	0		AGAERN
Cc1cnc([C@@H](C)SC2CCC2)o1	336273381	346451145	/nfs/dbraw/zinc/45/11/45/346451145.db2.gz	GAOTVKZEKMJIBJ-MRVPVSSYSA-N	0	0	197.303	3.330	10	0		AGAERN
Cc1ccncc1CSC1CCC1	336273387	346451263	/nfs/dbraw/zinc/45/12/63/346451263.db2.gz	GKFMHLMMBMGALC-UHFFFAOYSA-N	0	0	193.315	3.176	10	0		AGAERN
CCSCCCc1ccsc1	378892596	346486118	/nfs/dbraw/zinc/48/61/18/346486118.db2.gz	AORWRZVUHQBCGH-UHFFFAOYSA-N	0	0	186.345	3.434	10	0		AGAERN
C/C=C\CSCCCCF	378974589	346487802	/nfs/dbraw/zinc/48/78/02/346487802.db2.gz	DCLUDALFHKCEQT-IHWYPQMZSA-N	0	0	162.273	3.045	10	0		AGAERN
CC(=O)/C(C)=C\C1CCCCCC1	379259510	346490877	/nfs/dbraw/zinc/49/08/77/346490877.db2.gz	SXOIJZWRQLLYDL-KTKRTIGZSA-N	0	0	180.291	3.492	10	0		AGAERN
FCCCCSCC1CCC1	379277092	346491327	/nfs/dbraw/zinc/49/13/27/346491327.db2.gz	APBSHZPPWXSWQI-UHFFFAOYSA-N	0	0	176.300	3.269	10	0		AGAERN
C=Cc1ccc(C(=O)/C=C\C)cc1	379286928	346491472	/nfs/dbraw/zinc/49/14/72/346491472.db2.gz	WBTKAWILDAYBDR-HYXAFXHYSA-N	0	0	172.227	3.088	10	0		AGAERN
CC(=O)/C(C)=C\C1CCCCC1	379311178	346491937	/nfs/dbraw/zinc/49/19/37/346491937.db2.gz	HYWXEOIHLLVHKW-HJWRWDBZSA-N	0	0	166.264	3.102	10	0		AGAERN
CC[C@H](C)C[C@H](C)C[C@H](C)CO	379311347	346491975	/nfs/dbraw/zinc/49/19/75/346491975.db2.gz	KSAQCJQZQISASG-DCAQKATOSA-N	0	0	172.312	3.077	10	0		AGAERN
CCCSCc1ccc(C)cn1	379311074	346492267	/nfs/dbraw/zinc/49/22/67/346492267.db2.gz	GDBWNXGYWNBLJM-UHFFFAOYSA-N	0	0	181.304	3.033	10	0		AGAERN
CCCCSCCOC(C)(C)C	379313315	346493427	/nfs/dbraw/zinc/49/34/27/346493427.db2.gz	GQYXMVIGTDRGPZ-UHFFFAOYSA-N	0	0	190.352	3.335	10	0		AGAERN
C/C(=C/Cl)C[C@@H]1CCCCC1=O	379315888	346493618	/nfs/dbraw/zinc/49/36/18/346493618.db2.gz	VKWWFNCVNBOMTQ-FUOZMLNRSA-N	0	0	186.682	3.278	10	0		AGAERN
CCC(C)(C)CCSCC(C)=O	379315105	346493622	/nfs/dbraw/zinc/49/36/22/346493622.db2.gz	AHNBMSSIUMYIQX-UHFFFAOYSA-N	0	0	188.336	3.135	10	0		AGAERN
C/C(=C/Cl)C[C@H]1CCCCC1=O	379315889	346493634	/nfs/dbraw/zinc/49/36/34/346493634.db2.gz	VKWWFNCVNBOMTQ-UFGYOYAJSA-N	0	0	186.682	3.278	10	0		AGAERN
CC(C)CSCCOC(C)(C)C	379317536	346494535	/nfs/dbraw/zinc/49/45/35/346494535.db2.gz	GIIGHRGLPKLITK-UHFFFAOYSA-N	0	0	190.352	3.191	10	0		AGAERN
CCC(CC)SCCCCOC	379325257	346497004	/nfs/dbraw/zinc/49/70/04/346497004.db2.gz	BMVXLPKVQADHHH-UHFFFAOYSA-N	0	0	190.352	3.335	10	0		AGAERN
COCCCCSCC=C(C)C	379332317	346500412	/nfs/dbraw/zinc/50/04/12/346500412.db2.gz	HFOLZYWWQVIIKG-UHFFFAOYSA-N	0	0	188.336	3.112	10	0		AGAERN
C/C=C/CSCCCCCOC	379332274	346500517	/nfs/dbraw/zinc/50/05/17/346500517.db2.gz	GXUHRRNMQLRRIZ-ONEGZZNKSA-N	0	0	188.336	3.112	10	0		AGAERN
C/C=C\CSCCCCCOC	379332273	346500563	/nfs/dbraw/zinc/50/05/63/346500563.db2.gz	GXUHRRNMQLRRIZ-ARJAWSKDSA-N	0	0	188.336	3.112	10	0		AGAERN
COCCCSCCCC(C)C	379332022	346500860	/nfs/dbraw/zinc/50/08/60/346500860.db2.gz	GXAAQFRQQLGNMQ-UHFFFAOYSA-N	0	0	190.352	3.192	10	0		AGAERN
C/C=C/CSCCC(C)(C)OC	379334707	346501320	/nfs/dbraw/zinc/50/13/20/346501320.db2.gz	PVXOXDWWTMAMHI-AATRIKPKSA-N	0	0	188.336	3.111	10	0		AGAERN
CC(=O)/C(C)=C/[C@@H](C)C(C)(C)C	379336099	346501581	/nfs/dbraw/zinc/50/15/81/346501581.db2.gz	ZBCJVIOXXJOIJJ-FCZSHJHJSA-N	0	0	168.280	3.204	10	0		AGAERN
CC(=O)/C(C)=C/[C@H](C)C(C)(C)C	379336100	346501692	/nfs/dbraw/zinc/50/16/92/346501692.db2.gz	ZBCJVIOXXJOIJJ-FLOXNTQESA-N	0	0	168.280	3.204	10	0		AGAERN
CC/C(=C\C(C)=O)c1ccc(F)cc1	379340762	346503675	/nfs/dbraw/zinc/50/36/75/346503675.db2.gz	AVYVFGUIJHBNIL-CSKARUKUSA-N	0	0	192.233	3.208	10	0		AGAERN
CC1(C(=O)CSC2CCCC2)CC1	379354103	346504812	/nfs/dbraw/zinc/50/48/12/346504812.db2.gz	HMEJJYJSYNDGKW-UHFFFAOYSA-N	0	0	198.331	3.031	10	0		AGAERN
FCCCSCCc1ccccc1	379358487	346505931	/nfs/dbraw/zinc/50/59/31/346505931.db2.gz	VLWYQRMUGANRQH-UHFFFAOYSA-N	0	0	198.306	3.322	10	0		AGAERN
CCOCCSc1cccc(C)c1	379360226	346506503	/nfs/dbraw/zinc/50/65/03/346506503.db2.gz	BSJWAFSXQRRWST-UHFFFAOYSA-N	0	0	196.315	3.124	10	0		AGAERN
CCCSCc1ccn(C(C)C)n1	379362575	346506877	/nfs/dbraw/zinc/50/68/77/346506877.db2.gz	HZCBFQYOLQNNIJ-UHFFFAOYSA-N	0	0	198.335	3.107	10	0		AGAERN
FCCCCSCc1ccccn1	379378050	346509993	/nfs/dbraw/zinc/50/99/93/346509993.db2.gz	ZXHDKLQGEOECLU-UHFFFAOYSA-N	0	0	199.294	3.065	10	0		AGAERN
CCCCCSCc1cc(C)on1	379378626	346510059	/nfs/dbraw/zinc/51/00/59/346510059.db2.gz	AIBWULBSTDDBGO-UHFFFAOYSA-N	0	0	199.319	3.406	10	0		AGAERN
COCCCSc1ccccc1C	379383088	346511223	/nfs/dbraw/zinc/51/12/23/346511223.db2.gz	FWJARPOKUARNML-UHFFFAOYSA-N	0	0	196.315	3.124	10	0		AGAERN
CC(C)CCSCc1ccccn1	379393605	346514954	/nfs/dbraw/zinc/51/49/54/346514954.db2.gz	VEXRFTUATYMAIX-UHFFFAOYSA-N	0	0	195.331	3.361	10	0		AGAERN
CC(C)=CCSCc1ncc(C)o1	379408550	346519783	/nfs/dbraw/zinc/51/97/83/346519783.db2.gz	BATRXUFOXRZISW-UHFFFAOYSA-N	0	0	197.303	3.182	10	0		AGAERN
CCC(CC)(CC)C(=O)OC(C)C	379409918	346520708	/nfs/dbraw/zinc/52/07/08/346520708.db2.gz	DYCDDILOIRBUFH-UHFFFAOYSA-N	0	0	186.295	3.154	10	0		AGAERN
C/C=C\C(=O)c1ccc(CCC)cc1	379489212	346523435	/nfs/dbraw/zinc/52/34/35/346523435.db2.gz	YSXLYEMPKWRKDL-XQRVVYSFSA-N	0	0	188.270	3.398	10	0		AGAERN
O=C(C[C@@H]1C=CCCCCC1)C1CC1	379534484	346525052	/nfs/dbraw/zinc/52/50/52/346525052.db2.gz	KYXNGNOMAWWRBF-LLVKDONJSA-N	0	0	192.302	3.492	10	0		AGAERN
O=C(C[C@H]1C=CCCCCC1)C1CC1	379534489	346525177	/nfs/dbraw/zinc/52/51/77/346525177.db2.gz	KYXNGNOMAWWRBF-NSHDSACASA-N	0	0	192.302	3.492	10	0		AGAERN
C/C=C\C(=O)[C@H](CC)CCCC	383825099	346537629	/nfs/dbraw/zinc/53/76/29/346537629.db2.gz	PZVVKXFLWXFMRH-DAGBOUIGSA-N	0	0	168.280	3.348	10	0		AGAERN
C/C=C\C(=O)[C@@H](CC)CCCC	383825101	346537634	/nfs/dbraw/zinc/53/76/34/346537634.db2.gz	PZVVKXFLWXFMRH-NVDWLVSRSA-N	0	0	168.280	3.348	10	0		AGAERN
CCCCC[C@H]1C[C@H]1C/C=C\CO	383822340	346537790	/nfs/dbraw/zinc/53/77/90/346537790.db2.gz	XHYRDXCRUCFCAR-ABZJQCSKSA-N	0	0	182.307	3.141	10	0		AGAERN
C/C=C\C(=O)c1cccc(F)c1Cl	385532848	346544287	/nfs/dbraw/zinc/54/42/87/346544287.db2.gz	KBSLUXTVVJLEIA-RQOWECAXSA-N	0	0	198.624	3.238	10	0		AGAERN
C/C=C\C(=O)c1cc(C)ccc1Cl	385559933	346544354	/nfs/dbraw/zinc/54/43/54/346544354.db2.gz	OSFOKACLMPITMZ-ARJAWSKDSA-N	0	0	194.661	3.407	10	0		AGAERN
FCCCSCC1CCCC1	388070837	346545835	/nfs/dbraw/zinc/54/58/35/346545835.db2.gz	DCQNOKQBUQVFTH-UHFFFAOYSA-N	0	0	176.300	3.269	10	0		AGAERN
CCCCS[C@H](C)c1cnccn1	388216949	346548217	/nfs/dbraw/zinc/54/82/17/346548217.db2.gz	GRVGJGIZBKIDRS-SECBINFHSA-N	0	0	196.319	3.071	10	0		AGAERN
CCCCS[C@@H](C)c1cnccn1	388216950	346548235	/nfs/dbraw/zinc/54/82/35/346548235.db2.gz	GRVGJGIZBKIDRS-VIFPVBQESA-N	0	0	196.319	3.071	10	0		AGAERN
CCCCSCc1c(C)noc1C	388274483	346549046	/nfs/dbraw/zinc/54/90/46/346549046.db2.gz	IDWLVSVNYVODSI-UHFFFAOYSA-N	0	0	199.319	3.325	10	0		AGAERN
CCCCSCc1cccc(C)n1	388268300	346549518	/nfs/dbraw/zinc/54/95/18/346549518.db2.gz	DQJITYKJLAPVCX-UHFFFAOYSA-N	0	0	195.331	3.423	10	0		AGAERN
CC(C)=CCSCc1nccs1	388389179	346551521	/nfs/dbraw/zinc/55/15/21/346551521.db2.gz	AVHULQKHZQSVBE-UHFFFAOYSA-N	0	0	199.344	3.343	10	0		AGAERN
CC(C)OCCS[C@H](C)C(C)C	388390564	346551532	/nfs/dbraw/zinc/55/15/32/346551532.db2.gz	BQVGSLXKMUCONL-SNVBAGLBSA-N	0	0	190.352	3.189	10	0		AGAERN
CC(C)OCCS[C@@H](C)C(C)C	388390563	346551581	/nfs/dbraw/zinc/55/15/81/346551581.db2.gz	BQVGSLXKMUCONL-JTQLQIEISA-N	0	0	190.352	3.189	10	0		AGAERN
CC[C@H](C)SCc1ccccn1	388391322	346551717	/nfs/dbraw/zinc/55/17/17/346551717.db2.gz	CHDZBOVRCJESRE-VIFPVBQESA-N	0	0	181.304	3.113	10	0		AGAERN
CC[C@@H](C)SCc1ccccn1	388391321	346551729	/nfs/dbraw/zinc/55/17/29/346551729.db2.gz	CHDZBOVRCJESRE-SECBINFHSA-N	0	0	181.304	3.113	10	0		AGAERN
C/C=C/CSCc1csc(C)n1	388392802	346552089	/nfs/dbraw/zinc/55/20/89/346552089.db2.gz	DMUHBCMIUSSEQH-ONEGZZNKSA-N	0	0	199.344	3.261	10	0		AGAERN
CCCCCSCc1ccno1	388395266	346552316	/nfs/dbraw/zinc/55/23/16/346552316.db2.gz	HLJIJVITQQCDEN-UHFFFAOYSA-N	0	0	185.292	3.098	10	0		AGAERN
C/C=C\CSCc1csc(C)n1	388392801	346552320	/nfs/dbraw/zinc/55/23/20/346552320.db2.gz	DMUHBCMIUSSEQH-ARJAWSKDSA-N	0	0	199.344	3.261	10	0		AGAERN
COC(C)(C)CCSCC(C)C	388418398	346553460	/nfs/dbraw/zinc/55/34/60/346553460.db2.gz	GIJUGESQZORJRH-UHFFFAOYSA-N	0	0	190.352	3.191	10	0		AGAERN
C/C=C\CSCCCOC(C)C	388416339	346553558	/nfs/dbraw/zinc/55/35/58/346553558.db2.gz	FEZMYFKRTUAHMD-PLNGDYQASA-N	0	0	188.336	3.111	10	0		AGAERN
C/C=C/CSCCCOC(C)C	388416340	346553713	/nfs/dbraw/zinc/55/37/13/346553713.db2.gz	FEZMYFKRTUAHMD-SNAWJCMRSA-N	0	0	188.336	3.111	10	0		AGAERN
CC(C)=CCSCc1ccccn1	388577120	346558909	/nfs/dbraw/zinc/55/89/09/346558909.db2.gz	CARXGJIIJMMNGC-UHFFFAOYSA-N	0	0	193.315	3.281	10	0		AGAERN
C/C=C/CSCc1cccnc1C	388619353	346561563	/nfs/dbraw/zinc/56/15/63/346561563.db2.gz	DWVFNRNALQOYHY-ONEGZZNKSA-N	0	0	193.315	3.199	10	0		AGAERN
C/C=C\CSCc1cccnc1C	388619351	346561704	/nfs/dbraw/zinc/56/17/04/346561704.db2.gz	DWVFNRNALQOYHY-ARJAWSKDSA-N	0	0	193.315	3.199	10	0		AGAERN
Cc1cc(CSCCC(C)C)no1	388639332	346562101	/nfs/dbraw/zinc/56/21/01/346562101.db2.gz	NWFSMMQCXACTLC-UHFFFAOYSA-N	0	0	199.319	3.262	10	0		AGAERN
c1ccc(CSCC2CCC2)nc1	388630565	346562321	/nfs/dbraw/zinc/56/23/21/346562321.db2.gz	KWVZZKCWZVZMKC-UHFFFAOYSA-N	0	0	193.315	3.115	10	0		AGAERN
CCC(C)(C)CCSc1ncc[nH]1	388669997	346563767	/nfs/dbraw/zinc/56/37/67/346563767.db2.gz	XQSYWCAZQSBXOO-UHFFFAOYSA-N	0	0	198.335	3.328	10	0		AGAERN
Cc1ccncc1CSCC(C)C	388811451	346567038	/nfs/dbraw/zinc/56/70/38/346567038.db2.gz	REPBWMTYWJWJKO-UHFFFAOYSA-N	0	0	195.331	3.279	10	0		AGAERN
FC(F)(F)CCSCCC1CC1	393336604	346576499	/nfs/dbraw/zinc/57/64/99/346576499.db2.gz	HPKJDXFFWSIULP-UHFFFAOYSA-N	0	0	198.253	3.472	10	0		AGAERN
C/C(=C\Cl)CNc1ccccc1F	393354673	346576793	/nfs/dbraw/zinc/57/67/93/346576793.db2.gz	KURWVAIQKDSEMQ-SOFGYWHQSA-N	0	0	199.656	3.380	10	0		AGAERN
C/C=C\CSCCC1CC1	393473799	346577576	/nfs/dbraw/zinc/57/75/76/346577576.db2.gz	CNMVWIJMRMNWSJ-IHWYPQMZSA-N	0	0	156.294	3.096	10	0		AGAERN
C/C=C\CSCC=C(C)C	393473754	346577756	/nfs/dbraw/zinc/57/77/56/346577756.db2.gz	CMMFOFQJEYLJPZ-PLNGDYQASA-N	0	0	156.294	3.262	10	0		AGAERN
CC/C=C/CCSCc1ccno1	393540254	346578216	/nfs/dbraw/zinc/57/82/16/346578216.db2.gz	WNAPIRHBGFXVMY-ONEGZZNKSA-N	0	0	197.303	3.264	10	0		AGAERN
CC/C=C\CCSCc1ccno1	393540253	346578235	/nfs/dbraw/zinc/57/82/35/346578235.db2.gz	WNAPIRHBGFXVMY-ARJAWSKDSA-N	0	0	197.303	3.264	10	0		AGAERN
C/C=C\C(=O)[C@@H]1CCC[C@@H](CC)C1	393562905	346578780	/nfs/dbraw/zinc/57/87/80/346578780.db2.gz	BUFDXGTVIJQRKY-KQLCGWBMSA-N	0	0	180.291	3.348	10	0		AGAERN
Cc1cccc(CSCC2CC2)n1	393551820	346578787	/nfs/dbraw/zinc/57/87/87/346578787.db2.gz	CGCGNGPEPOATSM-UHFFFAOYSA-N	0	0	193.315	3.033	10	0		AGAERN
C/C=C\COc1ccc(C)c(F)c1	393557052	346578793	/nfs/dbraw/zinc/57/87/93/346578793.db2.gz	QMBYEPFFWSPLEO-ARJAWSKDSA-N	0	0	180.222	3.089	10	0		AGAERN
C/C=C\C(=O)[C@@H]1CCC[C@H](CC)C1	393562908	346578979	/nfs/dbraw/zinc/57/89/79/346578979.db2.gz	BUFDXGTVIJQRKY-QUQTYHIESA-N	0	0	180.291	3.348	10	0		AGAERN
CCCCSCc1nccs1	393690706	346581047	/nfs/dbraw/zinc/58/10/47/346581047.db2.gz	FHDCQPZWCXQBSY-UHFFFAOYSA-N	0	0	187.333	3.176	10	0		AGAERN
Cc1cc(CSCCC(C)C)on1	393705208	346581535	/nfs/dbraw/zinc/58/15/35/346581535.db2.gz	BUUWQTZDXNXQGP-UHFFFAOYSA-N	0	0	199.319	3.262	10	0		AGAERN
CC(C)(C)CCSCc1ccno1	393707440	346582108	/nfs/dbraw/zinc/58/21/08/346582108.db2.gz	MEZLHIUCJUWZIT-UHFFFAOYSA-N	0	0	199.319	3.344	10	0		AGAERN
C/C(=C/C1(C)CCCCCC1)CO	394656422	346584707	/nfs/dbraw/zinc/58/47/07/346584707.db2.gz	IGBCZUHNOSFEHU-LUAWRHEFSA-N	0	0	182.307	3.286	10	0		AGAERN
CC(C)/C(=C\[C@@H]1CCCC[C@@H]1C)CO	394836684	346585375	/nfs/dbraw/zinc/58/53/75/346585375.db2.gz	ROLWRTKFNAXOHB-JTXXYJNRSA-N	0	0	196.334	3.387	10	0		AGAERN
CC(=O)/C(C)=C\C1(C)CCCC1	394750005	346585694	/nfs/dbraw/zinc/58/56/94/346585694.db2.gz	LTFZGZISQJUWLS-HJWRWDBZSA-N	0	0	166.264	3.102	10	0		AGAERN
C[Si](C)(C)CNc1ccsc1	401582116	346612525	/nfs/dbraw/zinc/61/25/25/346612525.db2.gz	KWKFJKIOEKAVRR-UHFFFAOYSA-N	0	0	185.368	3.037	10	0		AGAERN
Cc1cccc(NC[Si](C)(C)C)c1	401626134	346613574	/nfs/dbraw/zinc/61/35/74/346613574.db2.gz	AEDKFEKQABUATQ-UHFFFAOYSA-N	0	0	193.366	3.284	10	0		AGAERN
C[Si](C)(C)CNc1ccc(F)cc1	401752239	346616242	/nfs/dbraw/zinc/61/62/42/346616242.db2.gz	YJYCFJBDOXJVNM-UHFFFAOYSA-N	0	0	197.329	3.115	10	0		AGAERN
C[Si](C)(C)CNc1cccc(F)c1	401752052	346616464	/nfs/dbraw/zinc/61/64/64/346616464.db2.gz	YFKUABRVFHYJJT-UHFFFAOYSA-N	0	0	197.329	3.115	10	0		AGAERN
C[Si](C)(C)CNc1ccccc1F	401754920	346616550	/nfs/dbraw/zinc/61/65/50/346616550.db2.gz	ZEZNHIHZGZZILT-UHFFFAOYSA-N	0	0	197.329	3.115	10	0		AGAERN
Cc1ccccc1NC[Si](C)(C)C	401743109	346616655	/nfs/dbraw/zinc/61/66/55/346616655.db2.gz	UUQXMKFOAKBZMA-UHFFFAOYSA-N	0	0	193.366	3.284	10	0		AGAERN
Cc1cscc1NC[Si](C)(C)C	401982795	346625860	/nfs/dbraw/zinc/62/58/60/346625860.db2.gz	WOFFZOIYKRGIJK-UHFFFAOYSA-N	0	0	199.395	3.346	10	0		AGAERN
O=C1CC[C@H](C[C@@H]2CC=CCC2)C1	402311417	346628786	/nfs/dbraw/zinc/62/87/86/346628786.db2.gz	HUYPLEAWZRIMPB-GHMZBOCLSA-N	0	0	178.275	3.102	10	0		AGAERN
O=C1CCC[C@H]1C[C@@H]1CC=CCC1	402355296	346628797	/nfs/dbraw/zinc/62/87/97/346628797.db2.gz	WAVBSTXOYDDCDK-MNOVXSKESA-N	0	0	178.275	3.102	10	0		AGAERN
O=C1CCC[C@H]1C[C@H]1CC=CCC1	402355297	346628861	/nfs/dbraw/zinc/62/88/61/346628861.db2.gz	WAVBSTXOYDDCDK-QWRGUYRKSA-N	0	0	178.275	3.102	10	0		AGAERN
O=C1CC[C@@H](C[C@H]2CC=CCC2)C1	402311440	346628911	/nfs/dbraw/zinc/62/89/11/346628911.db2.gz	HUYPLEAWZRIMPB-QWRGUYRKSA-N	0	0	178.275	3.102	10	0		AGAERN
O=C1CCC[C@@H]1C[C@@H]1CC=CCC1	402355295	346629193	/nfs/dbraw/zinc/62/91/93/346629193.db2.gz	WAVBSTXOYDDCDK-GHMZBOCLSA-N	0	0	178.275	3.102	10	0		AGAERN
O=C1CC[C@@H](C[C@@H]2CC=CCC2)C1	402311431	346629230	/nfs/dbraw/zinc/62/92/30/346629230.db2.gz	HUYPLEAWZRIMPB-MNOVXSKESA-N	0	0	178.275	3.102	10	0		AGAERN
O=C1CCC[C@@H]1C[C@H]1CC=CCC1	402355298	346629286	/nfs/dbraw/zinc/62/92/86/346629286.db2.gz	WAVBSTXOYDDCDK-WDEREUQCSA-N	0	0	178.275	3.102	10	0		AGAERN
O=C1CC[C@H](C[C@H]2CC=CCC2)C1	402311451	346629338	/nfs/dbraw/zinc/62/93/38/346629338.db2.gz	HUYPLEAWZRIMPB-WDEREUQCSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(=O)C1(CC=C(Cl)Cl)CC1	403329319	346635368	/nfs/dbraw/zinc/63/53/68/346635368.db2.gz	BUZGNZIAGUFRKK-UHFFFAOYSA-N	0	0	193.073	3.065	10	0		AGAERN
O=C1CCC[C@H]1CC=C(Cl)Cl	403373989	346635845	/nfs/dbraw/zinc/63/58/45/346635845.db2.gz	NDKIPKCGONAWIE-LURJTMIESA-N	0	0	193.073	3.065	10	0		AGAERN
O=C1CCC[C@@H]1CC=C(Cl)Cl	403373991	346635887	/nfs/dbraw/zinc/63/58/87/346635887.db2.gz	NDKIPKCGONAWIE-ZCFIWIBFSA-N	0	0	193.073	3.065	10	0		AGAERN
CC(C)(C)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1	403772055	346638521	/nfs/dbraw/zinc/63/85/21/346638521.db2.gz	UZKGSHGKOQLCRN-AEJSXWLSSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(C)(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1	403772058	346638655	/nfs/dbraw/zinc/63/86/55/346638655.db2.gz	UZKGSHGKOQLCRN-OPRDCNLKSA-N	0	0	180.291	3.038	10	0		AGAERN
Cc1cocc1-c1ccc(C=O)s1	404878947	346654441	/nfs/dbraw/zinc/65/44/41/346654441.db2.gz	QQFBTZVIWRATKK-UHFFFAOYSA-N	0	0	192.239	3.129	10	0		AGAERN
CCC(CC)c1cc(Cl)ncn1	409427853	346686510	/nfs/dbraw/zinc/68/65/10/346686510.db2.gz	CPEJCEKMHAGXEE-UHFFFAOYSA-N	0	0	184.670	3.034	10	0		AGAERN
Cc1nc(Cl)cc(CC(C)(C)C)n1	409430140	346689975	/nfs/dbraw/zinc/68/99/75/346689975.db2.gz	LMTOXMGTEPNIJT-UHFFFAOYSA-N	0	0	198.697	3.027	10	0		AGAERN
CCC(CC)c1cc(Cl)nc(C)n1	409432059	346693306	/nfs/dbraw/zinc/69/33/06/346693306.db2.gz	STOSXCGJEZKWQG-UHFFFAOYSA-N	0	0	198.697	3.342	10	0		AGAERN
FC(F)n1nc(C2CC2)cc1C1CC1	409438276	346702465	/nfs/dbraw/zinc/70/24/65/346702465.db2.gz	CBLCZXNUYYWBNX-UHFFFAOYSA-N	0	0	198.216	3.033	10	0		AGAERN
CC(C)(C)C1CCC2(CC1)CC[C@@H]2O	409440078	346704607	/nfs/dbraw/zinc/70/46/07/346704607.db2.gz	JNZMCPFNRBXCCA-AKJDGMEZSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)(C)C1CCC2(CC1)CC[C@H]2O	409440080	346704695	/nfs/dbraw/zinc/70/46/95/346704695.db2.gz	JNZMCPFNRBXCCA-QWKFWESOSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@H](C)Oc1ccc(F)cc1F	575154717	346713660	/nfs/dbraw/zinc/71/36/60/346713660.db2.gz	GEGRXLCHCVGECQ-ZETCQYMHSA-N	0	0	185.193	3.209	10	0		AGAERN
CC[C@H](C)Oc1ccccc1C	575154893	346714255	/nfs/dbraw/zinc/71/42/55/346714255.db2.gz	ORRNDTSAPFAGOZ-JTQLQIEISA-N	0	0	163.240	3.005	10	0		AGAERN
CC(C)(C)Oc1ccc(F)cc1F	575154864	346713935	/nfs/dbraw/zinc/71/39/35/346713935.db2.gz	NGRZEZFSDDVVJC-UHFFFAOYSA-N	0	0	185.193	3.209	10	0		AGAERN
CCCCCOc1ccccc1F	575154670	346713412	/nfs/dbraw/zinc/71/34/12/346713412.db2.gz	DPUUAKFIKQCXBA-UHFFFAOYSA-N	0	0	181.230	3.303	10	0		AGAERN
Cc1ccccc1COc1ccccc1	575154796	346713420	/nfs/dbraw/zinc/71/34/20/346713420.db2.gz	KECUGEGTFJTJIU-UHFFFAOYSA-N	0	0	197.257	3.325	10	0		AGAERN
CCCCOc1ccccc1C	575154741	346713424	/nfs/dbraw/zinc/71/34/24/346713424.db2.gz	ICFBAFWUWMTOIW-UHFFFAOYSA-N	0	0	163.240	3.006	10	0		AGAERN
CCCOc1c(C)cccc1C	575154735	346713456	/nfs/dbraw/zinc/71/34/56/346713456.db2.gz	HNERSMYNVWWGOH-UHFFFAOYSA-N	0	0	163.240	3.006	10	0		AGAERN
CCCCOc1cc(C)cc(C)c1	575154579	346713470	/nfs/dbraw/zinc/71/34/70/346713470.db2.gz	AVUVSMRKWZTIIU-UHFFFAOYSA-N	0	0	177.267	3.396	10	0		AGAERN
CC[C@@H](C)Oc1ccc(F)cc1F	575154716	346713475	/nfs/dbraw/zinc/71/34/75/346713475.db2.gz	GEGRXLCHCVGECQ-SSDOTTSWSA-N	0	0	185.193	3.209	10	0		AGAERN
CC[C@H](C)Oc1c(C)cccc1C	575154739	346713478	/nfs/dbraw/zinc/71/34/78/346713478.db2.gz	HWGFOXYLTPOIRC-NSHDSACASA-N	0	0	177.267	3.395	10	0		AGAERN
CCCCCOc1cccc(F)c1	575154686	346713487	/nfs/dbraw/zinc/71/34/87/346713487.db2.gz	DUEYOAUGMKFCLN-UHFFFAOYSA-N	0	0	181.230	3.303	10	0		AGAERN
Cc1ccc(COc2ccccc2)cc1	575154743	346713500	/nfs/dbraw/zinc/71/35/00/346713500.db2.gz	IDIRCFZYXUHSHN-UHFFFAOYSA-N	0	0	197.257	3.325	10	0		AGAERN
CC(C)COc1ccc(Cl)cc1	575154793	346713522	/nfs/dbraw/zinc/71/35/22/346713522.db2.gz	JZSSVMINBAOUFK-UHFFFAOYSA-N	0	0	183.658	3.039	10	0		AGAERN
CCCCCOc1ccc(F)cc1	575154606	346713537	/nfs/dbraw/zinc/71/35/37/346713537.db2.gz	BRMBWFHFGMXEJK-UHFFFAOYSA-N	0	0	181.230	3.303	10	0		AGAERN
CC(C)CSc1ccccc1	575154732	346713539	/nfs/dbraw/zinc/71/35/39/346713539.db2.gz	HEVXBTPVOLFGTO-UHFFFAOYSA-N	0	0	165.281	3.189	10	0		AGAERN
Fc1ccc(-c2ccccc2)cc1	575154763	346713542	/nfs/dbraw/zinc/71/35/42/346713542.db2.gz	CVBIXRRRUQAUHN-UHFFFAOYSA-N	0	0	171.194	3.138	10	0		AGAERN
CC[C@H](C)Oc1cccc(C)c1	575154785	346713556	/nfs/dbraw/zinc/71/35/56/346713556.db2.gz	JJDYKNKXNXFWEC-JTQLQIEISA-N	0	0	163.240	3.005	10	0		AGAERN
Cc1ccc(OCc2ccccc2)cc1	575154707	346713568	/nfs/dbraw/zinc/71/35/68/346713568.db2.gz	GBBUCGAPYHWFAG-UHFFFAOYSA-N	0	0	197.257	3.229	10	0		AGAERN
Cc1ccccc1OC(C)(C)C	575154672	346713577	/nfs/dbraw/zinc/71/35/77/346713577.db2.gz	DQYFGJDIVQTMDM-UHFFFAOYSA-N	0	0	163.240	3.005	10	0		AGAERN
CC(C)COc1c(F)cccc1F	575154718	346713580	/nfs/dbraw/zinc/71/35/80/346713580.db2.gz	GEHVRVJXLJYIJT-UHFFFAOYSA-N	0	0	185.193	3.066	10	0		AGAERN
CC[C@@H](C)Oc1ccc(Cl)cc1	575154692	346713584	/nfs/dbraw/zinc/71/35/84/346713584.db2.gz	DZYIHQVKWYARTA-MRVPVSSYSA-N	0	0	183.658	3.181	10	0		AGAERN
CCCCCOc1cccc(C)c1	575154696	346713602	/nfs/dbraw/zinc/71/36/02/346713602.db2.gz	FFTXIOHRDNBVTA-UHFFFAOYSA-N	0	0	177.267	3.396	10	0		AGAERN
CC(C)COc1cccc(F)c1F	575154719	346713614	/nfs/dbraw/zinc/71/36/14/346713614.db2.gz	GKDAOOSXIDYMNG-UHFFFAOYSA-N	0	0	185.193	3.066	10	0		AGAERN
CC(C)(C)Oc1ccc(Cl)cc1	575154557	346713618	/nfs/dbraw/zinc/71/36/18/346713618.db2.gz	AFZXVUTYBBIACO-UHFFFAOYSA-N	0	0	183.658	3.181	10	0		AGAERN
c1ccc(COC2CCCCC2)cc1	575154642	346713627	/nfs/dbraw/zinc/71/36/27/346713627.db2.gz	CUCLTCLMPCXFJB-UHFFFAOYSA-N	0	0	189.278	3.191	10	0		AGAERN
Cc1ccccc1OCc1ccccc1	575154724	346713632	/nfs/dbraw/zinc/71/36/32/346713632.db2.gz	GRZKWCDHPUWJPO-UHFFFAOYSA-N	0	0	197.257	3.229	10	0		AGAERN
CC[C@@H](C)Oc1c(C)cccc1C	575154738	346713635	/nfs/dbraw/zinc/71/36/35/346713635.db2.gz	HWGFOXYLTPOIRC-LLVKDONJSA-N	0	0	177.267	3.395	10	0		AGAERN
CC[C@@H](C)Oc1cccc(C)c1	575154786	346713647	/nfs/dbraw/zinc/71/36/47/346713647.db2.gz	JJDYKNKXNXFWEC-SNVBAGLBSA-N	0	0	163.240	3.005	10	0		AGAERN
CC[C@H](C)Oc1ccc(Cl)cc1	575154693	346713649	/nfs/dbraw/zinc/71/36/49/346713649.db2.gz	DZYIHQVKWYARTA-QMMMGPOBSA-N	0	0	183.658	3.181	10	0		AGAERN
COc1ccc(-c2ccccc2)cc1	575154772	346713657	/nfs/dbraw/zinc/71/36/57/346713657.db2.gz	IESBSWSFJUAHQJ-UHFFFAOYSA-N	0	0	183.230	3.008	10	0		AGAERN
Cc1cccc(OC(C)(C)C)c1	575154730	346713665	/nfs/dbraw/zinc/71/36/65/346713665.db2.gz	GWFYIKXHYDVIJN-UHFFFAOYSA-N	0	0	163.240	3.005	10	0		AGAERN
CC(C)CCOc1ccc(Cl)cc1	575154784	346713688	/nfs/dbraw/zinc/71/36/88/346713688.db2.gz	JJDAZLPNYIULLQ-UHFFFAOYSA-N	0	0	197.685	3.429	10	0		AGAERN
CCCCCOc1ccccc1C	575154878	346714062	/nfs/dbraw/zinc/71/40/62/346714062.db2.gz	NXBCCNSZLPRDLV-UHFFFAOYSA-N	0	0	177.267	3.396	10	0		AGAERN
CCCCOc1cccc(F)c1F	575154828	346713918	/nfs/dbraw/zinc/71/39/18/346713918.db2.gz	LLVBSKYIHLKEAD-UHFFFAOYSA-N	0	0	185.193	3.211	10	0		AGAERN
CCCCOc1ccccc1Cl	575154901	346713929	/nfs/dbraw/zinc/71/39/29/346713929.db2.gz	OUNXSQCHJNDABV-UHFFFAOYSA-N	0	0	183.658	3.183	10	0		AGAERN
CCCCOc1cccc(C)c1	575154904	346713938	/nfs/dbraw/zinc/71/39/38/346713938.db2.gz	PGGSFSXRVIBYRI-UHFFFAOYSA-N	0	0	163.240	3.006	10	0		AGAERN
CCCCOc1ccc(F)cc1F	575154853	346713940	/nfs/dbraw/zinc/71/39/40/346713940.db2.gz	MOYIHVUGAWTSNT-UHFFFAOYSA-N	0	0	185.193	3.211	10	0		AGAERN
CCCCOc1ccccc1C	575154909	346713949	/nfs/dbraw/zinc/71/39/49/346713949.db2.gz	PSBHMVPSNNHQCS-UHFFFAOYSA-N	0	0	163.240	3.006	10	0		AGAERN
Cc1cccc(C)c1OCC(C)C	575154832	346713965	/nfs/dbraw/zinc/71/39/65/346713965.db2.gz	LWZKYLIJQKDHRM-UHFFFAOYSA-N	0	0	177.267	3.252	10	0		AGAERN
CCCCCCOCc1ccccc1	575154851	346713975	/nfs/dbraw/zinc/71/39/75/346713975.db2.gz	MKYZLDNFAIBQES-UHFFFAOYSA-N	0	0	191.294	3.439	10	0		AGAERN
CCCCCOc1ccccc1	575154922	346713984	/nfs/dbraw/zinc/71/39/84/346713984.db2.gz	ZRAVWWYTMJRUHL-UHFFFAOYSA-N	0	0	163.240	3.006	10	0		AGAERN
CC[C@@H](C)Oc1cc(C)cc(C)c1	575154907	346713991	/nfs/dbraw/zinc/71/39/91/346713991.db2.gz	PPQYQIMBJJTKNR-LLVKDONJSA-N	0	0	177.267	3.395	10	0		AGAERN
CCCCSc1ccccc1	575154818	346714002	/nfs/dbraw/zinc/71/40/02/346714002.db2.gz	KZBRMZQQYOKSLY-UHFFFAOYSA-N	0	0	165.281	3.333	10	0		AGAERN
Cc1cccc(OCCC(C)C)c1	575154877	346714018	/nfs/dbraw/zinc/71/40/18/346714018.db2.gz	NUTJPBZLSOLIGE-UHFFFAOYSA-N	0	0	177.267	3.252	10	0		AGAERN
CC(C)(C)Oc1cccc(F)c1F	575154865	346714047	/nfs/dbraw/zinc/71/40/47/346714047.db2.gz	NIBXTRXMOZBZFL-UHFFFAOYSA-N	0	0	185.193	3.209	10	0		AGAERN
CC[C@@H](C)Oc1ccc(F)c(F)c1	575154887	346714056	/nfs/dbraw/zinc/71/40/56/346714056.db2.gz	OEMOFVOQOLVFHZ-SSDOTTSWSA-N	0	0	185.193	3.209	10	0		AGAERN
CC[C@H](C)Oc1ccc(F)c(F)c1	575154888	346714067	/nfs/dbraw/zinc/71/40/67/346714067.db2.gz	OEMOFVOQOLVFHZ-ZETCQYMHSA-N	0	0	185.193	3.209	10	0		AGAERN
Cc1cc(C)cc(OCC(C)C)c1	575154845	346714084	/nfs/dbraw/zinc/71/40/84/346714084.db2.gz	MHMGSTSRLQJSJN-UHFFFAOYSA-N	0	0	177.267	3.252	10	0		AGAERN
CCCCOc1ccc(C)cc1	575154916	346714088	/nfs/dbraw/zinc/71/40/88/346714088.db2.gz	QBVXEWSITDQTBB-UHFFFAOYSA-N	0	0	163.240	3.006	10	0		AGAERN
Cc1ccc(OC(C)(C)C)cc1	575154896	346714099	/nfs/dbraw/zinc/71/40/99/346714099.db2.gz	OTKMIQWRKQQCOY-UHFFFAOYSA-N	0	0	163.240	3.005	10	0		AGAERN
Cc1cccc(C)c1OC(C)(C)C	575154856	346714103	/nfs/dbraw/zinc/71/41/03/346714103.db2.gz	MQUABPMBSUEGJL-UHFFFAOYSA-N	0	0	177.267	3.395	10	0		AGAERN
c1ccc(Cc2ccccc2)cc1	575154806	346714106	/nfs/dbraw/zinc/71/41/06/346714106.db2.gz	NMDCVVWBBLUDGZ-UHFFFAOYSA-N	0	0	167.231	3.085	10	0		AGAERN
Cc1cc(C)cc(OC(C)C)c1	575154879	346714125	/nfs/dbraw/zinc/71/41/25/346714125.db2.gz	NZLGJWTUUZCCEL-UHFFFAOYSA-N	0	0	163.240	3.005	10	0		AGAERN
CC[C@@H](C)Oc1ccccc1C	575154837	346714131	/nfs/dbraw/zinc/71/41/31/346714131.db2.gz	LZLGNUMVNCCYGW-SNVBAGLBSA-N	0	0	163.240	3.005	10	0		AGAERN
CC(C)(C)Oc1ccc(F)c(F)c1	575154798	346714167	/nfs/dbraw/zinc/71/41/67/346714167.db2.gz	KESXNXHYJBGYTJ-UHFFFAOYSA-N	0	0	185.193	3.209	10	0		AGAERN
CCCCOc1ccc(Cl)cc1	575154914	346714180	/nfs/dbraw/zinc/71/41/80/346714180.db2.gz	PWUVXBOPZQDDDK-UHFFFAOYSA-N	0	0	183.658	3.183	10	0		AGAERN
CC[C@H](C)Oc1cc(C)cc(C)c1	575154908	346714183	/nfs/dbraw/zinc/71/41/83/346714183.db2.gz	PPQYQIMBJJTKNR-NSHDSACASA-N	0	0	177.267	3.395	10	0		AGAERN
CC[C@@H](C)Oc1ccccc1C	575154895	346714193	/nfs/dbraw/zinc/71/41/93/346714193.db2.gz	ORRNDTSAPFAGOZ-SNVBAGLBSA-N	0	0	163.240	3.005	10	0		AGAERN
CCCCOc1ccc(F)c(F)c1	575154822	346714205	/nfs/dbraw/zinc/71/42/05/346714205.db2.gz	LCXVLVMNNRBGQL-UHFFFAOYSA-N	0	0	185.193	3.211	10	0		AGAERN
CC(C)COc1ccc(F)cc1F	575154880	346714244	/nfs/dbraw/zinc/71/42/44/346714244.db2.gz	OARYEQGJJOZAFJ-UHFFFAOYSA-N	0	0	185.193	3.066	10	0		AGAERN
CC[C@H](C)Oc1ccccc1C	575154836	346714260	/nfs/dbraw/zinc/71/42/60/346714260.db2.gz	LZLGNUMVNCCYGW-JTQLQIEISA-N	0	0	163.240	3.005	10	0		AGAERN
Clc1ccc(Cl)c(Cl)c1	575155036	346714555	/nfs/dbraw/zinc/71/45/55/346714555.db2.gz	YXRBFDAYRIBQAD-UHFFFAOYSA-N	0	0	180.441	3.171	10	0		AGAERN
CC(C)COc1ccc(F)c(F)c1	575154963	346714561	/nfs/dbraw/zinc/71/45/61/346714561.db2.gz	SPPBWNVQJMXOSD-UHFFFAOYSA-N	0	0	185.193	3.066	10	0		AGAERN
CCCCOc1c(C)cccc1C	575154943	346714577	/nfs/dbraw/zinc/71/45/77/346714577.db2.gz	RCUBDIJUDMXEOB-UHFFFAOYSA-N	0	0	177.267	3.396	10	0		AGAERN
CC(C)(C)Oc1ccccc1Cl	575155025	346714609	/nfs/dbraw/zinc/71/46/09/346714609.db2.gz	YFYNXZKROIKFSC-UHFFFAOYSA-N	0	0	183.658	3.181	10	0		AGAERN
CC[C@@H](C)Oc1c(F)cccc1F	575155023	346714613	/nfs/dbraw/zinc/71/46/13/346714613.db2.gz	YCPUNOUMYOSUSC-SSDOTTSWSA-N	0	0	185.193	3.209	10	0		AGAERN
CC(C)(C)Oc1c(F)cccc1F	575155026	346714628	/nfs/dbraw/zinc/71/46/28/346714628.db2.gz	YHBPZBIFHMAFSQ-UHFFFAOYSA-N	0	0	185.193	3.209	10	0		AGAERN
CC(C)COc1ccccc1Cl	575154989	346714631	/nfs/dbraw/zinc/71/46/31/346714631.db2.gz	VIBRDCAKNHHWDB-UHFFFAOYSA-N	0	0	183.658	3.039	10	0		AGAERN
CC(C)CCOc1ccccc1F	575155003	346714634	/nfs/dbraw/zinc/71/46/34/346714634.db2.gz	WLSGNZGDZUDPNL-UHFFFAOYSA-N	0	0	181.230	3.159	10	0		AGAERN
Cc1cccc(C)c1OC(C)C	575154955	346714660	/nfs/dbraw/zinc/71/46/60/346714660.db2.gz	SCNFLUGYAZECOT-UHFFFAOYSA-N	0	0	163.240	3.005	10	0		AGAERN
CCCCCOc1ccccc1F	575155010	346714662	/nfs/dbraw/zinc/71/46/62/346714662.db2.gz	XCFPISSCQPKDGO-UHFFFAOYSA-N	0	0	181.230	3.303	10	0		AGAERN
CC[C@H](C)Oc1c(F)cccc1F	575155024	346714676	/nfs/dbraw/zinc/71/46/76/346714676.db2.gz	YCPUNOUMYOSUSC-ZETCQYMHSA-N	0	0	185.193	3.209	10	0		AGAERN
Cc1ccccc1OC(C)(C)C	575155008	346714684	/nfs/dbraw/zinc/71/46/84/346714684.db2.gz	WYEANRUOEGQSMN-UHFFFAOYSA-N	0	0	163.240	3.005	10	0		AGAERN
CCCCOc1c(F)cccc1F	575155039	346714706	/nfs/dbraw/zinc/71/47/06/346714706.db2.gz	YZZCUNIQTBQKDX-UHFFFAOYSA-N	0	0	185.193	3.211	10	0		AGAERN
CC[C@H](C)Oc1cccc(F)c1F	575155035	346714740	/nfs/dbraw/zinc/71/47/40/346714740.db2.gz	YWLZSMNRQMQZRD-ZETCQYMHSA-N	0	0	185.193	3.209	10	0		AGAERN
CCCCCOc1ccc(C)cc1	575154938	346714745	/nfs/dbraw/zinc/71/47/45/346714745.db2.gz	QNIBVPDBLILJEV-UHFFFAOYSA-N	0	0	177.267	3.396	10	0		AGAERN
CC[C@H](C)Oc1ccccc1Cl	575154969	346714748	/nfs/dbraw/zinc/71/47/48/346714748.db2.gz	TUJJQQAVPUZDEX-QMMMGPOBSA-N	0	0	183.658	3.181	10	0		AGAERN
CC[C@@H](C)Oc1ccc(C)cc1	575154998	346714756	/nfs/dbraw/zinc/71/47/56/346714756.db2.gz	VZLZRFMAZAMJCG-SNVBAGLBSA-N	0	0	163.240	3.005	10	0		AGAERN
CC[C@@H](C)Oc1ccccc1Cl	575154968	346714757	/nfs/dbraw/zinc/71/47/57/346714757.db2.gz	TUJJQQAVPUZDEX-MRVPVSSYSA-N	0	0	183.658	3.181	10	0		AGAERN
Cc1cccc(OCc2ccccc2)c1	575155045	346714775	/nfs/dbraw/zinc/71/47/75/346714775.db2.gz	ZWTODTPGFCZSCP-UHFFFAOYSA-N	0	0	197.257	3.229	10	0		AGAERN
CC[C@H](C)Oc1ccc(C)cc1	575154997	346714792	/nfs/dbraw/zinc/71/47/92/346714792.db2.gz	VZLZRFMAZAMJCG-JTQLQIEISA-N	0	0	163.240	3.005	10	0		AGAERN
CCCCCOc1ccccc1C	575155011	346714794	/nfs/dbraw/zinc/71/47/94/346714794.db2.gz	XDJIJXYJONAREV-UHFFFAOYSA-N	0	0	177.267	3.396	10	0		AGAERN
CCCOc1cc(C)cc(C)c1	575154958	346714845	/nfs/dbraw/zinc/71/48/45/346714845.db2.gz	SEDVWFMEOCWVJG-UHFFFAOYSA-N	0	0	163.240	3.006	10	0		AGAERN
CC[C@@H](C)Oc1cccc(F)c1F	575155034	346714873	/nfs/dbraw/zinc/71/48/73/346714873.db2.gz	YWLZSMNRQMQZRD-SSDOTTSWSA-N	0	0	185.193	3.209	10	0		AGAERN
C[C@@H]1C=CCCc2ccccc21	584590596	346718745	/nfs/dbraw/zinc/71/87/45/346718745.db2.gz	FYBFVXIPNZFNKD-SNVBAGLBSA-N	0	0	158.244	3.293	10	0		AGAERN
C[C@H]1C=CCCc2ccccc21	584590588	346718815	/nfs/dbraw/zinc/71/88/15/346718815.db2.gz	FYBFVXIPNZFNKD-JTQLQIEISA-N	0	0	158.244	3.293	10	0		AGAERN
CCC1(c2ccc(C)cc2C=O)CC1	584591743	346719137	/nfs/dbraw/zinc/71/91/37/346719137.db2.gz	YQTIZRKXOOHHHQ-UHFFFAOYSA-N	0	0	188.270	3.249	10	0		AGAERN
CC[C@H](CN1CC1)[C@@H]1CCC[C@H](C)C1	584591845	346719289	/nfs/dbraw/zinc/71/92/89/346719289.db2.gz	VNTVUPRCIQKOKB-YNEHKIRRSA-N	0	0	195.350	3.155	10	0		AGAERN
CC1(c2cc(Cl)ccc2C=O)CC1	584592134	346719303	/nfs/dbraw/zinc/71/93/03/346719303.db2.gz	FAQRFDQAHCOHAK-UHFFFAOYSA-N	0	0	194.661	3.204	10	0		AGAERN
Cc1cc(C=O)c(C2(C)CC2)cc1C	584592626	346719339	/nfs/dbraw/zinc/71/93/39/346719339.db2.gz	VKWSVDQTTJLDLN-UHFFFAOYSA-N	0	0	188.270	3.167	10	0		AGAERN
CC[C@H](CN1CC1)[C@H]1CCC[C@H](C)C1	584591844	346719376	/nfs/dbraw/zinc/71/93/76/346719376.db2.gz	VNTVUPRCIQKOKB-XQQFMLRXSA-N	0	0	195.350	3.155	10	0		AGAERN
CCCc1c(C)cc(N)cc1Cl	584592542	346719390	/nfs/dbraw/zinc/71/93/90/346719390.db2.gz	KMBFNEHVNFSVSN-UHFFFAOYSA-N	0	0	183.682	3.183	10	0		AGAERN
CC[C@H](CN1CC1)[C@@H]1CCC[C@@H](C)C1	584591842	346719398	/nfs/dbraw/zinc/71/93/98/346719398.db2.gz	VNTVUPRCIQKOKB-JHJVBQTASA-N	0	0	195.350	3.155	10	0		AGAERN
CC[C@H](CN1CC1)[C@H]1CCC[C@@H](C)C1	584591843	346719416	/nfs/dbraw/zinc/71/94/16/346719416.db2.gz	VNTVUPRCIQKOKB-UPJWGTAASA-N	0	0	195.350	3.155	10	0		AGAERN
CC1(c2ccc(Cl)cc2C=O)CC1	584592215	346719434	/nfs/dbraw/zinc/71/94/34/346719434.db2.gz	JEMCQXNKGQRCIL-UHFFFAOYSA-N	0	0	194.661	3.204	10	0		AGAERN
C[C@@H]1Cc2c(Br)cccc21	584599660	346719698	/nfs/dbraw/zinc/71/96/98/346719698.db2.gz	GXOQCMVLRGNCLH-ZCFIWIBFSA-N	0	0	197.075	3.109	10	0		AGAERN
CC(C)(F)CC(=O)c1ccccc1	584599605	346719726	/nfs/dbraw/zinc/71/97/26/346719726.db2.gz	FDLFTOOAUVEBGF-UHFFFAOYSA-N	0	0	180.222	3.008	10	0		AGAERN
C[C@H]1Cc2c(Br)cccc21	584599656	346719742	/nfs/dbraw/zinc/71/97/42/346719742.db2.gz	GXOQCMVLRGNCLH-LURJTMIESA-N	0	0	197.075	3.109	10	0		AGAERN
FC(F)(F)S[C@H]1C=CCCC1	584600310	346720299	/nfs/dbraw/zinc/72/02/99/346720299.db2.gz	HYPOCFHENIOPJG-LURJTMIESA-N	0	0	182.210	3.348	10	0		AGAERN
FC(F)(F)S[C@@H]1C=CCCC1	584600312	346720505	/nfs/dbraw/zinc/72/05/05/346720505.db2.gz	HYPOCFHENIOPJG-ZCFIWIBFSA-N	0	0	182.210	3.348	10	0		AGAERN
C=C/C=C/CC[Si](C)(C)C	584604977	346721977	/nfs/dbraw/zinc/72/19/77/346721977.db2.gz	SMMKHZDFWPAJFW-VOTSOKGWSA-N	0	0	154.329	3.457	10	0		AGAERN
c1cc2oc(CCC3CC3)cc2cn1	584604167	346722012	/nfs/dbraw/zinc/72/20/12/346722012.db2.gz	RLDFZSHYQQSMFO-UHFFFAOYSA-N	0	0	187.242	3.170	10	0		AGAERN
CC(=O)c1ccc(Cl)c2occc12	584603665	346722211	/nfs/dbraw/zinc/72/22/11/346722211.db2.gz	MZLVHHKAGCCOAD-UHFFFAOYSA-N	0	0	194.617	3.289	10	0		AGAERN
CS[C@H]1C[C@@H]2[C@H](C[C@H]1C)C2(C)C	584607272	346723231	/nfs/dbraw/zinc/72/32/31/346723231.db2.gz	RXOPSPQLVMIOKY-RGOKHQFPSA-N	0	0	184.348	3.420	10	0		AGAERN
CC(C)[C@@H]1CC[C@@H](C)C/C1=C\[N+](=O)[O-]	584607160	346723236	/nfs/dbraw/zinc/72/32/36/346723236.db2.gz	BGGWEGZTNLPJQI-LCIINNLCSA-N	0	0	197.278	3.239	10	0		AGAERN
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1ON=O	584607186	346723456	/nfs/dbraw/zinc/72/34/56/346723456.db2.gz	FXELXWNXAQXXFT-KXUCPTDWSA-N	0	0	185.267	3.145	10	0		AGAERN
COC(=O)C1(CC(C)C)CCCCC1	584607014	346723524	/nfs/dbraw/zinc/72/35/24/346723524.db2.gz	IHOPRJAAINADTB-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CC=C=Cc1ccccc1C	584607561	346723990	/nfs/dbraw/zinc/72/39/90/346723990.db2.gz	OWWUOQMCPBANDQ-UHFFFAOYSA-N	0	0	144.217	3.183	10	0		AGAERN
CC(=O)OC[C@]1(C)CC[C@@H](C)[C@@H](C)C1	584607365	346724002	/nfs/dbraw/zinc/72/40/02/346724002.db2.gz	AFNOKCFOMKIBPP-JFGNBEQYSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(=O)OC[C@]1(C)CC[C@@H](C)[C@H](C)C1	584607361	346724044	/nfs/dbraw/zinc/72/40/44/346724044.db2.gz	AFNOKCFOMKIBPP-CKYFFXLPSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(=O)OC[C@]1(C)CC[C@H](C)[C@H](C)C1	584607362	346724060	/nfs/dbraw/zinc/72/40/60/346724060.db2.gz	AFNOKCFOMKIBPP-HOSYDEDBSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(=O)OC[C@]1(C)CC[C@H](C)[C@@H](C)C1	584607364	346724068	/nfs/dbraw/zinc/72/40/68/346724068.db2.gz	AFNOKCFOMKIBPP-JBLDHEPKSA-N	0	0	198.306	3.012	10	0		AGAERN
CC1(C2CCCCC2)C=C1	584607347	346724116	/nfs/dbraw/zinc/72/41/16/346724116.db2.gz	WQZOQJUCZCYVSF-UHFFFAOYSA-N	0	0	136.238	3.143	10	0		AGAERN
CCCCCC[C@H]1C=COC(=O)C1	584608396	346724586	/nfs/dbraw/zinc/72/45/86/346724586.db2.gz	JUVXNXNNJADHPN-JTQLQIEISA-N	0	0	182.263	3.034	10	0		AGAERN
COc1ccc(/C=C(\C)F)cc1	584609222	346724871	/nfs/dbraw/zinc/72/48/71/346724871.db2.gz	ALCLHKJTPKWJKA-BQYQJAHWSA-N	0	0	166.195	3.026	10	0		AGAERN
CSc1ccc(C(F)F)cc1	584609108	346725042	/nfs/dbraw/zinc/72/50/42/346725042.db2.gz	PLOGTMKORCHEDO-UHFFFAOYSA-N	0	0	174.215	3.346	10	0		AGAERN
C/C=C/[C@H](C)Oc1ccccc1C	584609281	346725478	/nfs/dbraw/zinc/72/54/78/346725478.db2.gz	GDLMOKMCVWYGHS-ZPMKCOPCSA-N	0	0	176.259	3.338	10	0		AGAERN
C/C=C/n1ccc2ccccc21	584609321	346725575	/nfs/dbraw/zinc/72/55/75/346725575.db2.gz	IKSBCBCQSCZTGJ-KRXBUXKQSA-N	0	0	157.216	3.132	10	0		AGAERN
C/C=C/[C@@H](C)Oc1ccccc1C	584609280	346725591	/nfs/dbraw/zinc/72/55/91/346725591.db2.gz	GDLMOKMCVWYGHS-TZOMUSMUSA-N	0	0	176.259	3.338	10	0		AGAERN
COc1ccc(/C=C/C(C)C)cc1O	584609912	346725829	/nfs/dbraw/zinc/72/58/29/346725829.db2.gz	PCSPBGDIGKLBEA-SNAWJCMRSA-N	0	0	192.258	3.070	10	0		AGAERN
C=Cc1cc(/C=C/C)cc(OC)c1O	584609884	346725959	/nfs/dbraw/zinc/72/59/59/346725959.db2.gz	LLFLOGWWVBARDH-GQCTYLIASA-N	0	0	190.242	3.077	10	0		AGAERN
OCCC/C(F)=C(\F)c1ccccc1	584609803	346726006	/nfs/dbraw/zinc/72/60/06/346726006.db2.gz	XIJMINXNBJKTAF-ZHACJKMWSA-N	0	0	198.212	3.067	10	0		AGAERN
CC/C=C/c1ccc(OC)c(F)c1	584609795	346726048	/nfs/dbraw/zinc/72/60/48/346726048.db2.gz	VKPOXIWRENAVSD-SNAWJCMRSA-N	0	0	180.222	3.258	10	0		AGAERN
Cc1cccc(/C=C/c2ccco2)n1	584609952	346726366	/nfs/dbraw/zinc/72/63/66/346726366.db2.gz	YWGXRJNNLUAOTI-BQYQJAHWSA-N	0	0	185.226	3.153	10	0		AGAERN
CCCC/C=C/OC(=O)c1ccco1	584610230	346726369	/nfs/dbraw/zinc/72/63/69/346726369.db2.gz	PYUGENPGJFEZCT-VMPITWQZSA-N	0	0	194.230	3.140	10	0		AGAERN
CCCC/C=C/OC(=O)C(C)(C)C	584610105	346726371	/nfs/dbraw/zinc/72/63/71/346726371.db2.gz	IDRJJKFWJJKWSO-CMDGGOBGSA-N	0	0	184.279	3.280	10	0		AGAERN
C[C@]1(c2cccc(F)c2)C=CCS1	584610310	346726552	/nfs/dbraw/zinc/72/65/52/346726552.db2.gz	CITFKWXMWIITLG-LLVKDONJSA-N	0	0	194.274	3.344	10	0		AGAERN
CCC(CC)C[C@]1(C)C=CCO1	584610355	346726609	/nfs/dbraw/zinc/72/66/09/346726609.db2.gz	XIKBIUAYJZNCCF-NSHDSACASA-N	0	0	168.280	3.158	10	0		AGAERN
C[C@H]1CCC(c2ccc(Cl)cc2)=N1	584610679	346727148	/nfs/dbraw/zinc/72/71/48/346727148.db2.gz	BOVZVOMACYQHOI-QMMMGPOBSA-N	0	0	193.677	3.311	10	0		AGAERN
COc1ccc(/C=C(/C)F)cc1	584610892	346727786	/nfs/dbraw/zinc/72/77/86/346727786.db2.gz	ALCLHKJTPKWJKA-FPLPWBNLSA-N	0	0	166.195	3.026	10	0		AGAERN
CC[C@H](C)Cc1cccc(F)c1	584610914	346727838	/nfs/dbraw/zinc/72/78/38/346727838.db2.gz	DGEVKDPATFZNNI-VIFPVBQESA-N	0	0	166.239	3.414	10	0		AGAERN
CCO/C=C\c1c(C)cccc1C	584611196	346727983	/nfs/dbraw/zinc/72/79/83/346727983.db2.gz	WUZXRLPHOQUGFK-HJWRWDBZSA-N	0	0	176.259	3.311	10	0		AGAERN
CC[C@@H](O)/C=C\CCC=C(C)C	584611399	346728196	/nfs/dbraw/zinc/72/81/96/346728196.db2.gz	BIFYAVSCIVSNKZ-GXMKHXEJSA-N	0	0	168.280	3.060	10	0		AGAERN
C/C=C(/C)CC(=O)c1ccc(F)cc1	584611246	346728304	/nfs/dbraw/zinc/72/83/04/346728304.db2.gz	SLXZEOSVBMYSQT-OQFOIZHKSA-N	0	0	192.233	3.365	10	0		AGAERN
CC[C@H](O)/C=C\CCC=C(C)C	584611398	346728340	/nfs/dbraw/zinc/72/83/40/346728340.db2.gz	BIFYAVSCIVSNKZ-DVBBHNHCSA-N	0	0	168.280	3.060	10	0		AGAERN
OC1(CCC=C(F)F)CCCCC1	584613340	346728483	/nfs/dbraw/zinc/72/84/83/346728483.db2.gz	HWDOPXDUGXFAQF-UHFFFAOYSA-N	0	0	190.233	3.242	10	0		AGAERN
CO/C=C(\C)c1ccccc1C	584612677	346728528	/nfs/dbraw/zinc/72/85/28/346728528.db2.gz	CCEHFGMLSADRNZ-CSKARUKUSA-N	0	0	162.232	3.002	10	0		AGAERN
Cc1ccc(-n2ccc(C)c2)cc1	584613406	346728581	/nfs/dbraw/zinc/72/85/81/346728581.db2.gz	IUEQXABUMLJGQE-UHFFFAOYSA-N	0	0	171.243	3.094	10	0		AGAERN
Cc1ccc(C2=CC2(F)F)cc1	584613532	346728657	/nfs/dbraw/zinc/72/86/57/346728657.db2.gz	PQNSLYJFCKCCCH-UHFFFAOYSA-N	0	0	166.170	3.027	10	0		AGAERN
COc1ccc(C2=CC2(F)F)c(C)c1	584613515	346728682	/nfs/dbraw/zinc/72/86/82/346728682.db2.gz	ONQJZKYSEMKZQY-UHFFFAOYSA-N	0	0	196.196	3.036	10	0		AGAERN
Cc1ccn(-c2ccccc2C)c1	584613502	346728693	/nfs/dbraw/zinc/72/86/93/346728693.db2.gz	MFHUZMBVDKBQRA-UHFFFAOYSA-N	0	0	171.243	3.094	10	0		AGAERN
CC(C)n1ccn(C(C)C)c1=S	584615301	346729347	/nfs/dbraw/zinc/72/93/47/346729347.db2.gz	WUVSDJFTWYCNNH-UHFFFAOYSA-N	0	0	184.308	3.181	10	0		AGAERN
C=CSCCCSC=C	584615307	346729443	/nfs/dbraw/zinc/72/94/43/346729443.db2.gz	YIVVHDAMGUSCEI-UHFFFAOYSA-N	0	0	160.307	3.130	10	0		AGAERN
C[C@]12CC[C@](C)(C1)c1ccccc12	584615421	346729479	/nfs/dbraw/zinc/72/94/79/346729479.db2.gz	HHKOIFXTNFPZLX-BETUJISGSA-N	0	0	172.271	3.400	10	0		AGAERN
CC[C@H]1CC(C)(C)c2cccc(N)c21	584618623	346729890	/nfs/dbraw/zinc/72/98/90/346729890.db2.gz	STSFMIVUCFOKIQ-VIFPVBQESA-N	0	0	189.302	3.444	10	0		AGAERN
CN1C[C@H]2CCC[C@H]2c2ccccc21	584617340	346729893	/nfs/dbraw/zinc/72/98/93/346729893.db2.gz	QRCGFNIMQFGZRW-GHMZBOCLSA-N	0	0	187.286	3.020	10	0		AGAERN
CC[C@@H]1CC(C)(C)c2cccc(N)c21	584618622	346729895	/nfs/dbraw/zinc/72/98/95/346729895.db2.gz	STSFMIVUCFOKIQ-SECBINFHSA-N	0	0	189.302	3.444	10	0		AGAERN
CN1C[C@@H]2CCC[C@H]2c2ccccc21	584617341	346729915	/nfs/dbraw/zinc/72/99/15/346729915.db2.gz	QRCGFNIMQFGZRW-WDEREUQCSA-N	0	0	187.286	3.020	10	0		AGAERN
O=[N+]([O-])C1=C(C2=CCCC2)CCCC1	584616662	346730102	/nfs/dbraw/zinc/73/01/02/346730102.db2.gz	VKKNLMIWUNAPMP-UHFFFAOYSA-N	0	0	193.246	3.202	10	0		AGAERN
C=C=CCCc1ccc(F)cc1	584616635	346730112	/nfs/dbraw/zinc/73/01/12/346730112.db2.gz	STVYKPOCJVUDCK-UHFFFAOYSA-N	0	0	162.207	3.099	10	0		AGAERN
C=C=CCCc1ccc(C)cc1	584619911	346730627	/nfs/dbraw/zinc/73/06/27/346730627.db2.gz	LVMXHNMBNUDLOV-UHFFFAOYSA-N	0	0	158.244	3.269	10	0		AGAERN
COC1=CC=CC=C[C@H]1[Si](C)(C)C	584619965	346730680	/nfs/dbraw/zinc/73/06/80/346730680.db2.gz	QSFRSAORWIEJSK-LLVKDONJSA-N	0	0	194.350	3.351	10	0		AGAERN
COC1=CC=CC=C[C@@H]1[Si](C)(C)C	584619966	346730732	/nfs/dbraw/zinc/73/07/32/346730732.db2.gz	QSFRSAORWIEJSK-NSHDSACASA-N	0	0	194.350	3.351	10	0		AGAERN
C=C(c1ccsc1)c1ccccn1	584621875	346731538	/nfs/dbraw/zinc/73/15/38/346731538.db2.gz	SEDQIHZZWYZYDV-UHFFFAOYSA-N	0	0	187.267	3.205	10	0		AGAERN
C(=C1CCCC1)c1ccco1	584623164	346731849	/nfs/dbraw/zinc/73/18/49/346731849.db2.gz	GFBFLIKXTBMULX-UHFFFAOYSA-N	0	0	148.205	3.237	10	0		AGAERN
Clc1ccccc1N[C@H]1C=CCC1	584624650	346732061	/nfs/dbraw/zinc/73/20/61/346732061.db2.gz	BHKGTBBDNAJJQG-VIFPVBQESA-N	0	0	193.677	3.471	10	0		AGAERN
Oc1c(Cl)ccc2c(F)cccc12	584624593	346732110	/nfs/dbraw/zinc/73/21/10/346732110.db2.gz	CMEDABMXBHNEGO-UHFFFAOYSA-N	0	0	196.608	3.338	10	0		AGAERN
Clc1ccccc1N[C@@H]1C=CCC1	584624649	346732137	/nfs/dbraw/zinc/73/21/37/346732137.db2.gz	BHKGTBBDNAJJQG-SECBINFHSA-N	0	0	193.677	3.471	10	0		AGAERN
CCO[C@H]1C=Cc2ccccc2S1	584625233	346732217	/nfs/dbraw/zinc/73/22/17/346732217.db2.gz	KSBQEJOFFHVIER-LLVKDONJSA-N	0	0	192.283	3.168	10	0		AGAERN
CC1=C(Br)C(C)(C)CC1	584624714	346732222	/nfs/dbraw/zinc/73/22/22/346732222.db2.gz	IBZSUZVQKRZEHB-UHFFFAOYSA-N	0	0	189.096	3.475	10	0		AGAERN
CCO[C@@H]1C=Cc2ccccc2S1	584625235	346732232	/nfs/dbraw/zinc/73/22/32/346732232.db2.gz	KSBQEJOFFHVIER-NSHDSACASA-N	0	0	192.283	3.168	10	0		AGAERN
CCCC[C@H]1OCc2ccccc2O1	584624512	346732261	/nfs/dbraw/zinc/73/22/61/346732261.db2.gz	QQTGMUWTZSVVBV-LBPRGKRZSA-N	0	0	192.258	3.112	10	0		AGAERN
C1CCC(C2=NCCCS2)CC1	584624816	346732272	/nfs/dbraw/zinc/73/22/72/346732272.db2.gz	ZEPGBUZHYUUMHK-UHFFFAOYSA-N	0	0	183.320	3.102	10	0		AGAERN
CC1=C(Cl)C(C)(C)CC1	584624642	346732326	/nfs/dbraw/zinc/73/23/26/346732326.db2.gz	ZTPMYWQEBHAKRJ-UHFFFAOYSA-N	0	0	144.645	3.319	10	0		AGAERN
CCCC[C@@H]1OCc2ccccc2O1	584624510	346732336	/nfs/dbraw/zinc/73/23/36/346732336.db2.gz	QQTGMUWTZSVVBV-GFCCVEGCSA-N	0	0	192.258	3.112	10	0		AGAERN
CCCCc1cc(F)c(F)cc1C=O	584624479	346732426	/nfs/dbraw/zinc/73/24/26/346732426.db2.gz	LTWJOWVVOUSLAR-UHFFFAOYSA-N	0	0	198.212	3.120	10	0		AGAERN
CCc1ccc2c(c1)OC(C)(C)C=C2	584626674	346732997	/nfs/dbraw/zinc/73/29/97/346732997.db2.gz	ZODCCRMOYOAFAS-UHFFFAOYSA-N	0	0	188.270	3.433	10	0		AGAERN
COc1cc(C)c(-c2ccccc2)o1	584626636	346733354	/nfs/dbraw/zinc/73/33/54/346733354.db2.gz	ZMDAVLCVAQGVAI-UHFFFAOYSA-N	0	0	188.226	3.264	10	0		AGAERN
CCC[C@H]1C[C@@H](C)C(C)(C)CO1	584628763	346733695	/nfs/dbraw/zinc/73/36/95/346733695.db2.gz	VBLKNKIUJFGBAV-ZJUUUORDSA-N	0	0	170.296	3.238	10	0		AGAERN
CCC[C@@H]1C[C@H](C)C(C)(C)CO1	584628762	346733701	/nfs/dbraw/zinc/73/37/01/346733701.db2.gz	VBLKNKIUJFGBAV-VHSXEESVSA-N	0	0	170.296	3.238	10	0		AGAERN
CCC[C@H]1C[C@H](C)C(C)(C)CO1	584628760	346733774	/nfs/dbraw/zinc/73/37/74/346733774.db2.gz	VBLKNKIUJFGBAV-UWVGGRQHSA-N	0	0	170.296	3.238	10	0		AGAERN
CCC[C@@H]1C[C@@H](C)C(C)(C)CO1	584628754	346733887	/nfs/dbraw/zinc/73/38/87/346733887.db2.gz	VBLKNKIUJFGBAV-NXEZZACHSA-N	0	0	170.296	3.238	10	0		AGAERN
C=C=CCCc1ccsc1	584630756	346735429	/nfs/dbraw/zinc/73/54/29/346735429.db2.gz	DPQNRNKWAMKODN-UHFFFAOYSA-N	0	0	150.246	3.022	10	0		AGAERN
CC(=O)c1c(C)oc2c1CCCCC2	584630978	346735559	/nfs/dbraw/zinc/73/55/59/346735559.db2.gz	WBIRIFIHBOLNMT-UHFFFAOYSA-N	0	0	192.258	3.060	10	0		AGAERN
C[Si](C)(C)CC1=CCCC(=O)CC1	584635818	346737178	/nfs/dbraw/zinc/73/71/78/346737178.db2.gz	ZQHLEJSZXCLIGE-UHFFFAOYSA-N	0	0	196.366	3.394	10	0		AGAERN
C=C=CCSCc1ccccc1	584635452	346737236	/nfs/dbraw/zinc/73/72/36/346737236.db2.gz	AMUCRZDUHBXSTK-UHFFFAOYSA-N	0	0	176.284	3.261	10	0		AGAERN
C[C@@H](O)c1ccc(Cl)c2occc12	584635477	346737438	/nfs/dbraw/zinc/73/74/38/346737438.db2.gz	GSTFQLDSNMPHAJ-ZCFIWIBFSA-N	0	0	196.633	3.140	10	0		AGAERN
CCCCCC[C@@H]1C=COC(=O)C1	584636344	346737922	/nfs/dbraw/zinc/73/79/22/346737922.db2.gz	JUVXNXNNJADHPN-SNVBAGLBSA-N	0	0	182.263	3.034	10	0		AGAERN
Clc1ccc(N[C@@H]2C=CCC2)cc1	584635849	346737550	/nfs/dbraw/zinc/73/75/50/346737550.db2.gz	CPQDEYVMDNQKIE-SNVBAGLBSA-N	0	0	193.677	3.471	10	0		AGAERN
CC(C)CCc1cc(F)ccc1C=O	584635892	346737562	/nfs/dbraw/zinc/73/75/62/346737562.db2.gz	MXWBJVHTUAWEHZ-UHFFFAOYSA-N	0	0	194.249	3.227	10	0		AGAERN
Clc1ccc(N[C@H]2C=CCC2)cc1	584635848	346737650	/nfs/dbraw/zinc/73/76/50/346737650.db2.gz	CPQDEYVMDNQKIE-JTQLQIEISA-N	0	0	193.677	3.471	10	0		AGAERN
CCCSc1cc(CC)ccc1O	584635917	346737664	/nfs/dbraw/zinc/73/76/64/346737664.db2.gz	QETPPLTUCXBCPJ-UHFFFAOYSA-N	0	0	196.315	3.457	10	0		AGAERN
Cc1c[nH]c(-c2ccccc2C)c1	584636190	346738036	/nfs/dbraw/zinc/73/80/36/346738036.db2.gz	QGPMIVVQQKIKPN-UHFFFAOYSA-N	0	0	171.243	3.299	10	0		AGAERN
CCCSc1cc(C)ccc1O	584636150	346738055	/nfs/dbraw/zinc/73/80/55/346738055.db2.gz	FHVYRPJZLCTELE-UHFFFAOYSA-N	0	0	182.288	3.203	10	0		AGAERN
Cc1ccc2[nH]cpc2c1	584638621	346738341	/nfs/dbraw/zinc/73/83/41/346738341.db2.gz	QCIBFJREKBWHJY-UHFFFAOYSA-N	0	0	149.133	3.056	10	0		AGAERN
c1ccc(-c2ncc(C3CC3)o2)cc1	584638412	346738359	/nfs/dbraw/zinc/73/83/59/346738359.db2.gz	ZLIYZHNFCSECAI-UHFFFAOYSA-N	0	0	185.226	3.219	10	0		AGAERN
C=Cc1c[nH]c2c(C)cccc12	584640367	346739377	/nfs/dbraw/zinc/73/93/77/346739377.db2.gz	UMWCEVOANBATSN-UHFFFAOYSA-N	0	0	157.216	3.119	10	0		AGAERN
CC(C)N(c1ccsc1)C(C)C	584643744	346739725	/nfs/dbraw/zinc/73/97/25/346739725.db2.gz	MIYLTGZHNFAMFF-UHFFFAOYSA-N	0	0	183.320	3.371	10	0		AGAERN
C[C@@H]1CC[C@@H]2CCC[C@H]2C1	584648300	346741913	/nfs/dbraw/zinc/74/19/13/346741913.db2.gz	GCHPEYBINOWUBI-UTLUCORTSA-N	0	0	138.254	3.223	10	0		AGAERN
CC1(C)C=N[C@H](c2ccccc2)S1	584642712	346739834	/nfs/dbraw/zinc/73/98/34/346739834.db2.gz	RCNAYTYEWJLUKF-JTQLQIEISA-N	0	0	191.299	3.281	10	0		AGAERN
CCc1cccc2c1N(C)CC[C@H]2C	584643275	346739839	/nfs/dbraw/zinc/73/98/39/346739839.db2.gz	HMYOWTACDJGFAK-SNVBAGLBSA-N	0	0	189.302	3.192	10	0		AGAERN
CCc1cccc2c1N(C)CC[C@@H]2C	584643274	346739921	/nfs/dbraw/zinc/73/99/21/346739921.db2.gz	HMYOWTACDJGFAK-JTQLQIEISA-N	0	0	189.302	3.192	10	0		AGAERN
CC1(C)C=N[C@@H](c2ccccc2)S1	584642714	346740050	/nfs/dbraw/zinc/74/00/50/346740050.db2.gz	RCNAYTYEWJLUKF-SNVBAGLBSA-N	0	0	191.299	3.281	10	0		AGAERN
CC[C@]1(C)C[C@@H](C)c2c(N)cccc21	584645245	346740400	/nfs/dbraw/zinc/74/04/00/346740400.db2.gz	CKTIKQGOJBUQIL-NOZJJQNGSA-N	0	0	189.302	3.444	10	0		AGAERN
CC[C@]1(C)C[C@H](C)c2c(N)cccc21	584645247	346740426	/nfs/dbraw/zinc/74/04/26/346740426.db2.gz	CKTIKQGOJBUQIL-TVQRCGJNSA-N	0	0	189.302	3.444	10	0		AGAERN
CC[C@@]1(C)C[C@@H](C)c2c(N)cccc21	584645246	346740559	/nfs/dbraw/zinc/74/05/59/346740559.db2.gz	CKTIKQGOJBUQIL-RNCFNFMXSA-N	0	0	189.302	3.444	10	0		AGAERN
C[C@H]1c2c(N)cccc2C(C)(C)[C@@H]1C	584645534	346740611	/nfs/dbraw/zinc/74/06/11/346740611.db2.gz	XQUATZHHXIQAHS-RKDXNWHRSA-N	0	0	189.302	3.300	10	0		AGAERN
Nc1cc(C(F)F)cc(C(F)F)c1	584645708	346740663	/nfs/dbraw/zinc/74/06/63/346740663.db2.gz	CQOLYOWCTVVHQV-UHFFFAOYSA-N	0	0	193.143	3.144	10	0		AGAERN
CC[C@@]1(C)C[C@H](C)c2c(N)cccc21	584645248	346740666	/nfs/dbraw/zinc/74/06/66/346740666.db2.gz	CKTIKQGOJBUQIL-ZANVPECISA-N	0	0	189.302	3.444	10	0		AGAERN
FCc1ccc(OC(F)(F)F)cc1	584647279	346741324	/nfs/dbraw/zinc/74/13/24/346741324.db2.gz	ASZONYYIFZFLNX-UHFFFAOYSA-N	0	0	194.127	3.055	10	0		AGAERN
FCc1ccc(C(F)(F)F)c(F)c1	584647698	346741288	/nfs/dbraw/zinc/74/12/88/346741288.db2.gz	RVPGZDJGAVHKEK-UHFFFAOYSA-N	0	0	196.118	3.314	10	0		AGAERN
C1=CC12CCCCCCC2	584647462	346741367	/nfs/dbraw/zinc/74/13/67/346741367.db2.gz	UGJGXOAKSFWFDN-UHFFFAOYSA-N	0	0	136.238	3.287	10	0		AGAERN
FCc1cccc(OC(F)(F)F)c1	584647386	346741406	/nfs/dbraw/zinc/74/14/06/346741406.db2.gz	GELQRNZZKRNMGJ-UHFFFAOYSA-N	0	0	194.127	3.055	10	0		AGAERN
FCc1cc(F)cc(C(F)(F)F)c1	584647675	346741532	/nfs/dbraw/zinc/74/15/32/346741532.db2.gz	RBDAGRXPQCLVFV-UHFFFAOYSA-N	0	0	196.118	3.314	10	0		AGAERN
C[C@@H]1CC[C@H]2CCC[C@H]2C1	584648299	346741816	/nfs/dbraw/zinc/74/18/16/346741816.db2.gz	GCHPEYBINOWUBI-BBBLOLIVSA-N	0	0	138.254	3.223	10	0		AGAERN
Nc1cccc2c1CC21CCCCC1	584648186	346742074	/nfs/dbraw/zinc/74/20/74/346742074.db2.gz	VXFGVKJVTVLEAA-UHFFFAOYSA-N	0	0	187.286	3.027	10	0		AGAERN
CCc1ccc2c3c(ccc2c1)OCC3	584652330	346742696	/nfs/dbraw/zinc/74/26/96/346742696.db2.gz	FUFTTWJPDCMRMR-UHFFFAOYSA-N	0	0	198.265	3.337	10	0		AGAERN
FC(F)(F)[C@@H]1C=C1Cc1ccccc1	584656751	346742707	/nfs/dbraw/zinc/74/27/07/346742707.db2.gz	DEBAAIZGIDZSQO-SNVBAGLBSA-N	0	0	198.187	3.348	10	0		AGAERN
FC(F)(F)[C@H]1C=C1Cc1ccccc1	584656750	346742834	/nfs/dbraw/zinc/74/28/34/346742834.db2.gz	DEBAAIZGIDZSQO-JTQLQIEISA-N	0	0	198.187	3.348	10	0		AGAERN
CC1=C[C@@]2(C)C=CC[C@]2(C)C1	584652407	346742850	/nfs/dbraw/zinc/74/28/50/346742850.db2.gz	IZUNWKUITIXWDG-GHMZBOCLSA-N	0	0	148.249	3.309	10	0		AGAERN
CC1=C[C@]2(C)CC=C[C@]2(C)C1	584652651	346742866	/nfs/dbraw/zinc/74/28/66/346742866.db2.gz	PAYOBZWPYAYBOI-MNOVXSKESA-N	0	0	148.249	3.309	10	0		AGAERN
CC1=C[C@]2(C)CC=C[C@@]2(C)C1	584652652	346742900	/nfs/dbraw/zinc/74/29/00/346742900.db2.gz	PAYOBZWPYAYBOI-QWRGUYRKSA-N	0	0	148.249	3.309	10	0		AGAERN
CC1=C[C@]2(C)C=CC[C@@]2(C)C1	584652409	346742971	/nfs/dbraw/zinc/74/29/71/346742971.db2.gz	IZUNWKUITIXWDG-QWRGUYRKSA-N	0	0	148.249	3.309	10	0		AGAERN
CC1=C[C@@]2(C)CC=C[C@]2(C)C1	584652650	346742989	/nfs/dbraw/zinc/74/29/89/346742989.db2.gz	PAYOBZWPYAYBOI-GHMZBOCLSA-N	0	0	148.249	3.309	10	0		AGAERN
CC1=C[C@@]2(C)CC=C[C@@]2(C)C1	584652653	346742997	/nfs/dbraw/zinc/74/29/97/346742997.db2.gz	PAYOBZWPYAYBOI-WDEREUQCSA-N	0	0	148.249	3.309	10	0		AGAERN
CC1=C[C@@]2(C)C=CC[C@@]2(C)C1	584652408	346743054	/nfs/dbraw/zinc/74/30/54/346743054.db2.gz	IZUNWKUITIXWDG-MNOVXSKESA-N	0	0	148.249	3.309	10	0		AGAERN
CC1=C[C@]2(C)C=CC[C@]2(C)C1	584652411	346743081	/nfs/dbraw/zinc/74/30/81/346743081.db2.gz	IZUNWKUITIXWDG-WDEREUQCSA-N	0	0	148.249	3.309	10	0		AGAERN
C[C@@H]1C[C@@H]2CCCC[C@H]2[C@@H](C)C1=O	584656918	346743292	/nfs/dbraw/zinc/74/32/92/346743292.db2.gz	HJYDQHSSKCIHDA-ZNSHCXBVSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(C)C=C(C1CC1)C1CC1	584656919	346743344	/nfs/dbraw/zinc/74/33/44/346743344.db2.gz	HJYDQLGSIGOHSV-UHFFFAOYSA-N	0	0	150.265	3.389	10	0		AGAERN
CCCCCCO[C@@H]1CC1(C)C	584656968	346743347	/nfs/dbraw/zinc/74/33/47/346743347.db2.gz	NKDKZWJYOCGDIL-SNVBAGLBSA-N	0	0	170.296	3.382	10	0		AGAERN
CCCCCCO[C@H]1CC1(C)C	584656967	346743350	/nfs/dbraw/zinc/74/33/50/346743350.db2.gz	NKDKZWJYOCGDIL-JTQLQIEISA-N	0	0	170.296	3.382	10	0		AGAERN
C[C@@H]1C[C@@H]2CCCC[C@@H]2[C@@H](C)C1=O	584656911	346743353	/nfs/dbraw/zinc/74/33/53/346743353.db2.gz	HJYDQHSSKCIHDA-CHWFTXMASA-N	0	0	180.291	3.038	10	0		AGAERN
C[C@@H]1C(=O)[C@H](C)C[C@@H]2CCCC[C@@H]21	584656916	346743369	/nfs/dbraw/zinc/74/33/69/346743369.db2.gz	HJYDQHSSKCIHDA-VPOLOUISSA-N	0	0	180.291	3.038	10	0		AGAERN
S=c1ccn2c3c1CC[C@H]3CCC2	584657063	346743452	/nfs/dbraw/zinc/74/34/52/346743452.db2.gz	ZTBPNKXLKTXKFG-MRVPVSSYSA-N	0	0	191.299	3.041	10	0		AGAERN
C[C@@H]1C(=O)[C@H](C)C[C@@H]2CCCC[C@H]21	584656913	346743468	/nfs/dbraw/zinc/74/34/68/346743468.db2.gz	HJYDQHSSKCIHDA-RCWTZXSCSA-N	0	0	180.291	3.038	10	0		AGAERN
FC1(F)Cc2cccc3cccc1c23	584657041	346743471	/nfs/dbraw/zinc/74/34/71/346743471.db2.gz	VUIICGHGWPOYBW-UHFFFAOYSA-N	0	0	190.192	3.488	10	0		AGAERN
CC1(C)C/C1=C\c1ccccc1	584656819	346743485	/nfs/dbraw/zinc/74/34/85/346743485.db2.gz	HDXCILZBUFBCDU-DHZHZOJOSA-N	0	0	158.244	3.500	10	0		AGAERN
S=c1ccn2c3c1CC[C@@H]3CCC2	584657064	346743581	/nfs/dbraw/zinc/74/35/81/346743581.db2.gz	ZTBPNKXLKTXKFG-QMMMGPOBSA-N	0	0	191.299	3.041	10	0		AGAERN
c1ccc([C@@H]2[C@H]3CCC[C@H]32)cc1	584657360	346743875	/nfs/dbraw/zinc/74/38/75/346743875.db2.gz	ITWNLZAGIUPXAK-GDNZZTSVSA-N	0	0	158.244	3.200	10	0		AGAERN
CCCCCCO[C@@H]1[C@H]2CCC[C@H]21	584657387	346743883	/nfs/dbraw/zinc/74/38/83/346743883.db2.gz	PWQFMQIBSHYNRS-GDNZZTSVSA-N	0	0	182.307	3.382	10	0		AGAERN
C[C@H]1[C@@H]2CCCCCC[C@H]12	584657366	346743886	/nfs/dbraw/zinc/74/38/86/346743886.db2.gz	JWNUSGIHDNWRIQ-OWUUHHOZSA-N	0	0	138.254	3.223	10	0		AGAERN
CO/C=C/[C@@]1(C)N=Nc2ccccc21	584657172	346743967	/nfs/dbraw/zinc/74/39/67/346743967.db2.gz	XTGDBNGSGYJHLQ-WSKFYRRCSA-N	0	0	188.230	3.159	10	0		AGAERN
CO/C(=C(/C)Cl)c1ccccc1	584657092	346744012	/nfs/dbraw/zinc/74/40/12/346744012.db2.gz	HPTCKEHHCJODIW-NTMALXAHSA-N	0	0	182.650	3.260	10	0		AGAERN
CO/C=C/[C@]1(C)N=Nc2ccccc21	584657171	346744091	/nfs/dbraw/zinc/74/40/91/346744091.db2.gz	XTGDBNGSGYJHLQ-AEZGRPFRSA-N	0	0	188.230	3.159	10	0		AGAERN
CC1(C)[C@@H]2CC[C@]13CSCC=C3C2	584657623	346744517	/nfs/dbraw/zinc/74/45/17/346744517.db2.gz	ZBTVIFCKNUCCMU-BXKDBHETSA-N	0	0	194.343	3.486	10	0		AGAERN
C[C@]12CCCC[C@H]1[C@]2(F)Cl	584657462	346744548	/nfs/dbraw/zinc/74/45/48/346744548.db2.gz	JDPWXKLKGJDIPM-GJMOJQLCSA-N	0	0	162.635	3.101	10	0		AGAERN
C=Cc1c(-c2ccccc2)noc1C	584657541	346744551	/nfs/dbraw/zinc/74/45/51/346744551.db2.gz	ZTUJPDWVJNHFMH-UHFFFAOYSA-N	0	0	185.226	3.293	10	0		AGAERN
O=C1C[C@@H]2C[C@H](C1)c1ccccc12	584657958	346744966	/nfs/dbraw/zinc/74/49/66/346744966.db2.gz	FTCRHURPVOZDBO-BDAKNGLRSA-N	0	0	172.227	3.103	10	0		AGAERN
C/C=C/[C@@H]1[C@@H](C)[C@]1(CCCC)OC	584658269	346745479	/nfs/dbraw/zinc/74/54/79/346745479.db2.gz	SNGWFYPZADAHPK-FWSSAOSUSA-N	0	0	182.307	3.404	10	0		AGAERN
CCCC[C@@H]1C[C@]1(F)Cl	584658165	346745498	/nfs/dbraw/zinc/74/54/98/346745498.db2.gz	LFDAPTBYVOHCKK-RNFRBKRXSA-N	0	0	150.624	3.101	10	0		AGAERN
CCCC[C@H]1C[C@@]1(F)Cl	584658163	346745513	/nfs/dbraw/zinc/74/55/13/346745513.db2.gz	LFDAPTBYVOHCKK-BQBZGAKWSA-N	0	0	150.624	3.101	10	0		AGAERN
CCCC[C@H]1C[C@]1(F)Cl	584658164	346745544	/nfs/dbraw/zinc/74/55/44/346745544.db2.gz	LFDAPTBYVOHCKK-NKWVEPMBSA-N	0	0	150.624	3.101	10	0		AGAERN
CCCC[C@@H]1C[C@@]1(F)Cl	584658166	346745595	/nfs/dbraw/zinc/74/55/95/346745595.db2.gz	LFDAPTBYVOHCKK-RQJHMYQMSA-N	0	0	150.624	3.101	10	0		AGAERN
CC1(C)[C@@]2(C)N=N[C@]1(C)[C@@H]1C=CC[C@@H]12	584659623	346745797	/nfs/dbraw/zinc/74/57/97/346745797.db2.gz	MLECMIQATWLSMU-DMWPJOQESA-N	0	0	190.290	3.202	10	0		AGAERN
CC/C(F)=C(\Cl)CC	584659632	346745918	/nfs/dbraw/zinc/74/59/18/346745918.db2.gz	ZQYBRUBUYGQVMX-AATRIKPKSA-N	0	0	136.597	3.226	10	0		AGAERN
CC(C)=CC(Cl)(Cl)Cl	584659229	346745966	/nfs/dbraw/zinc/74/59/66/346745966.db2.gz	PUUSWADPTDUPDH-UHFFFAOYSA-N	0	0	173.470	3.323	10	0		AGAERN
C=COC1=C[C@H]2C[C@@H]([C@H]1C)C2(C)C	584659254	346746029	/nfs/dbraw/zinc/74/60/29/346746029.db2.gz	WJWQGZPLSYNEEL-BBBLOLIVSA-N	0	0	178.275	3.342	10	0		AGAERN
C1C[C@@H]2C[C@H]1[C@@H]1[C@H]2[C@H]2CC[C@@H]1C2	584659777	346746079	/nfs/dbraw/zinc/74/60/79/346746079.db2.gz	VSHDEZHNJCSDFY-KUDAMMAASA-N	0	0	162.276	3.079	10	0		AGAERN
C=COC1=C[C@H]2C[C@@H]([C@@H]1C)C2(C)C	584659253	346746086	/nfs/dbraw/zinc/74/60/86/346746086.db2.gz	WJWQGZPLSYNEEL-AEJSXWLSSA-N	0	0	178.275	3.342	10	0		AGAERN
CCc1cc2cccc(F)c2nc1C	584880169	346747181	/nfs/dbraw/zinc/74/71/81/346747181.db2.gz	CZQMJKKFRQYHGS-UHFFFAOYSA-N	0	0	189.233	3.245	10	0		AGAERN
CCc1nc2c(F)cccc2cc1C	584880414	346747853	/nfs/dbraw/zinc/74/78/53/346747853.db2.gz	ZSVZGVUFAOEZFZ-UHFFFAOYSA-N	0	0	189.233	3.245	10	0		AGAERN
Cc1ncc(-c2ccsc2C)s1	584880780	346747912	/nfs/dbraw/zinc/74/79/12/346747912.db2.gz	FQCLRHHICLIDKA-UHFFFAOYSA-N	0	0	195.312	3.488	10	0		AGAERN
Cc1ncc(-c2ccsc2)s1	584881266	346748444	/nfs/dbraw/zinc/74/84/44/346748444.db2.gz	OECAOGZLTUBQGX-UHFFFAOYSA-N	0	0	181.285	3.180	10	0		AGAERN
Cc1cc(-c2cnc(C)s2)cs1	584881378	346748498	/nfs/dbraw/zinc/74/84/98/346748498.db2.gz	RARFMUVCBUOMNP-UHFFFAOYSA-N	0	0	195.312	3.488	10	0		AGAERN
Nc1cnc2ccc(C3CCC3)cc2c1	584882285	346749505	/nfs/dbraw/zinc/74/95/05/346749505.db2.gz	ZKCSYVAIFUOXAI-UHFFFAOYSA-N	0	0	198.269	3.085	10	0		AGAERN
C=CC1=CC=CCN1c1ccccc1C	585138983	346752956	/nfs/dbraw/zinc/75/29/56/346752956.db2.gz	JNNMMKJGUVPPDY-UHFFFAOYSA-N	0	0	197.281	3.441	10	0		AGAERN
CC(C)=CCC/C(C)=C/COCO	585138991	346753051	/nfs/dbraw/zinc/75/30/51/346753051.db2.gz	BIGOBAYEMVTBGG-YRNVUSSQSA-N	0	0	183.271	3.084	10	0		AGAERN
CC(C)=CCN(C)c1ccccc1F	589150926	346769148	/nfs/dbraw/zinc/76/91/48/346769148.db2.gz	GULSJUIAVOPMOZ-UHFFFAOYSA-N	0	0	193.265	3.228	10	0		AGAERN
CCOCCS[C@H](C)CC(C)C	590726030	346789362	/nfs/dbraw/zinc/78/93/62/346789362.db2.gz	OYYAEEQYNNMTOB-SNVBAGLBSA-N	0	0	190.352	3.191	10	0		AGAERN
CCOCCS[C@@H](C)CC(C)C	590726029	346789799	/nfs/dbraw/zinc/78/97/99/346789799.db2.gz	OYYAEEQYNNMTOB-JTQLQIEISA-N	0	0	190.352	3.191	10	0		AGAERN
CC(=O)[C@@H](C)SCC1=CCCCC1	590728666	346790285	/nfs/dbraw/zinc/79/02/85/346790285.db2.gz	LPPAHIAYXDQMDV-SNVBAGLBSA-N	0	0	198.331	3.198	10	0		AGAERN
CC(=O)[C@H](C)SCC1=CCCCC1	590728665	346790320	/nfs/dbraw/zinc/79/03/20/346790320.db2.gz	LPPAHIAYXDQMDV-JTQLQIEISA-N	0	0	198.331	3.198	10	0		AGAERN
FC1(F)CC(CSCC2CC2)C1	590738898	346790961	/nfs/dbraw/zinc/79/09/61/346790961.db2.gz	DIHWENNQTCWIGE-UHFFFAOYSA-N	0	0	192.274	3.175	10	0		AGAERN
C1CC(SCCC2CC2)C1	590740006	346791510	/nfs/dbraw/zinc/79/15/10/346791510.db2.gz	CNEIZVRKJULCJZ-UHFFFAOYSA-N	0	0	156.294	3.072	10	0		AGAERN
C[C@H](SC1CCC1)C(F)(F)F	590740009	346791582	/nfs/dbraw/zinc/79/15/82/346791582.db2.gz	DVTKTOLZQGKRSK-YFKPBYRVSA-N	0	0	184.226	3.223	10	0		AGAERN
C[C@@H](SC1CCC1)C(F)(F)F	590740008	346791608	/nfs/dbraw/zinc/79/16/08/346791608.db2.gz	DVTKTOLZQGKRSK-RXMQYKEDSA-N	0	0	184.226	3.223	10	0		AGAERN
C1=C[C@@H](SC2CCC2)CCC1	590739815	346791659	/nfs/dbraw/zinc/79/16/59/346791659.db2.gz	DQVUMACFOAYETC-SECBINFHSA-N	0	0	168.305	3.381	10	0		AGAERN
COCCCCCSC1CCC1	590740022	346791700	/nfs/dbraw/zinc/79/17/00/346791700.db2.gz	GXJTXPVBWQLJTI-UHFFFAOYSA-N	0	0	188.336	3.089	10	0		AGAERN
C1=C[C@H](SC2CCC2)CCC1	590739819	346791790	/nfs/dbraw/zinc/79/17/90/346791790.db2.gz	DQVUMACFOAYETC-VIFPVBQESA-N	0	0	168.305	3.381	10	0		AGAERN
CSC1CCC(C(F)(F)F)CC1	590742291	346792154	/nfs/dbraw/zinc/79/21/54/346792154.db2.gz	GUSDIPZKNRNBHS-UHFFFAOYSA-N	0	0	198.253	3.471	10	0		AGAERN
Cc1cccc(CSCCF)c1	590742057	346792318	/nfs/dbraw/zinc/79/23/18/346792318.db2.gz	BXWRDQSQRSHUQH-UHFFFAOYSA-N	0	0	184.279	3.198	10	0		AGAERN
C[C@H](CSC1CCC1)C(F)(F)F	590740069	346792324	/nfs/dbraw/zinc/79/23/24/346792324.db2.gz	VCDQJTQLKGEWJV-ZCFIWIBFSA-N	0	0	198.253	3.471	10	0		AGAERN
C[C@@H](CSC1CCC1)C(F)(F)F	590740068	346792515	/nfs/dbraw/zinc/79/25/15/346792515.db2.gz	VCDQJTQLKGEWJV-LURJTMIESA-N	0	0	198.253	3.471	10	0		AGAERN
CC(C)OC(=O)C1CC(C(C)(C)C)C1	590925642	346797066	/nfs/dbraw/zinc/79/70/66/346797066.db2.gz	CNMGVFQAFWHAET-UHFFFAOYSA-N	0	0	198.306	3.010	10	0		AGAERN
COC(C)(C)CCSC1CCC1	591130591	346805906	/nfs/dbraw/zinc/80/59/06/346805906.db2.gz	ZKSKFQOAOCVYOE-UHFFFAOYSA-N	0	0	188.336	3.087	10	0		AGAERN
CC[C@@H](CSCC=C(C)C)OC	591338746	346811062	/nfs/dbraw/zinc/81/10/62/346811062.db2.gz	DPGCXBMVBBQYQH-JTQLQIEISA-N	0	0	188.336	3.111	10	0		AGAERN
CC[C@H](CSCC=C(C)C)OC	591338747	346811069	/nfs/dbraw/zinc/81/10/69/346811069.db2.gz	DPGCXBMVBBQYQH-SNVBAGLBSA-N	0	0	188.336	3.111	10	0		AGAERN
CCCS[C@H]1CC[C@H](C)C1	591379867	346813089	/nfs/dbraw/zinc/81/30/89/346813089.db2.gz	VTAZHVHCUNESAT-IUCAKERBSA-N	0	0	158.310	3.318	10	0		AGAERN
CCCS[C@@H]1CC[C@@H](C)C1	591379868	346813129	/nfs/dbraw/zinc/81/31/29/346813129.db2.gz	VTAZHVHCUNESAT-RKDXNWHRSA-N	0	0	158.310	3.318	10	0		AGAERN
CCC[C@H](C)SCc1cc(C)on1	591378794	346813136	/nfs/dbraw/zinc/81/31/36/346813136.db2.gz	FQVJYQOPRTVASS-VIFPVBQESA-N	0	0	199.319	3.405	10	0		AGAERN
CCCS[C@H]1CC[C@@H](C)C1	591379861	346813269	/nfs/dbraw/zinc/81/32/69/346813269.db2.gz	VTAZHVHCUNESAT-BDAKNGLRSA-N	0	0	158.310	3.318	10	0		AGAERN
CCCS[C@@H]1CC[C@H](C)C1	591379866	346813272	/nfs/dbraw/zinc/81/32/72/346813272.db2.gz	VTAZHVHCUNESAT-DTWKUNHWSA-N	0	0	158.310	3.318	10	0		AGAERN
CCCCSC1CC(OCC)C1	591381012	346813319	/nfs/dbraw/zinc/81/33/19/346813319.db2.gz	DJKWNYNEKDVNJH-UHFFFAOYSA-N	0	0	188.336	3.087	10	0		AGAERN
CCC[C@@H](C)SCc1cc(C)on1	591378793	346813436	/nfs/dbraw/zinc/81/34/36/346813436.db2.gz	FQVJYQOPRTVASS-SECBINFHSA-N	0	0	199.319	3.405	10	0		AGAERN
CC(C)S[C@H]1CC[C@@H](C)C1	591381206	346813914	/nfs/dbraw/zinc/81/39/14/346813914.db2.gz	UFGPLSXNQSTMJN-BDAKNGLRSA-N	0	0	158.310	3.317	10	0		AGAERN
CCSCc1cc(C(C)(C)C)on1	591381062	346813990	/nfs/dbraw/zinc/81/39/90/346813990.db2.gz	JYZXAIGLBNEHDX-UHFFFAOYSA-N	0	0	199.319	3.225	10	0		AGAERN
CC(C)S[C@H]1CC[C@H](C)C1	591381208	346814069	/nfs/dbraw/zinc/81/40/69/346814069.db2.gz	UFGPLSXNQSTMJN-IUCAKERBSA-N	0	0	158.310	3.317	10	0		AGAERN
CC(C)S[C@@H]1CC[C@H](C)C1	591381207	346814101	/nfs/dbraw/zinc/81/41/01/346814101.db2.gz	UFGPLSXNQSTMJN-DTWKUNHWSA-N	0	0	158.310	3.317	10	0		AGAERN
CC(C)S[C@@H]1CC[C@@H](C)C1	591381209	346814111	/nfs/dbraw/zinc/81/41/11/346814111.db2.gz	UFGPLSXNQSTMJN-RKDXNWHRSA-N	0	0	158.310	3.317	10	0		AGAERN
CCC[C@@H](C)SCCOC(C)C	591383024	346814306	/nfs/dbraw/zinc/81/43/06/346814306.db2.gz	FSVUHMILJUTAFV-SNVBAGLBSA-N	0	0	190.352	3.333	10	0		AGAERN
CC(C)C[C@@H](C)SCc1ccon1	591385804	346814358	/nfs/dbraw/zinc/81/43/58/346814358.db2.gz	PBKSFLVHFRKZBE-SECBINFHSA-N	0	0	199.319	3.342	10	0		AGAERN
CCC[C@H](C)SCCOC(C)C	591383023	346814378	/nfs/dbraw/zinc/81/43/78/346814378.db2.gz	FSVUHMILJUTAFV-JTQLQIEISA-N	0	0	190.352	3.333	10	0		AGAERN
CC(C)C[C@H](C)SCc1ccon1	591385805	346814437	/nfs/dbraw/zinc/81/44/37/346814437.db2.gz	PBKSFLVHFRKZBE-VIFPVBQESA-N	0	0	199.319	3.342	10	0		AGAERN
COC[C@H](C)S[C@@H](C)CC(C)C	591385643	346814473	/nfs/dbraw/zinc/81/44/73/346814473.db2.gz	CSEXDDWRMGBIMC-UWVGGRQHSA-N	0	0	190.352	3.189	10	0		AGAERN
COC[C@H](C)S[C@H](C)CC(C)C	591385645	346814501	/nfs/dbraw/zinc/81/45/01/346814501.db2.gz	CSEXDDWRMGBIMC-ZJUUUORDSA-N	0	0	190.352	3.189	10	0		AGAERN
COC[C@@H](C)S[C@H](C)CC(C)C	591385642	346814605	/nfs/dbraw/zinc/81/46/05/346814605.db2.gz	CSEXDDWRMGBIMC-NXEZZACHSA-N	0	0	190.352	3.189	10	0		AGAERN
COC[C@@H](C)S[C@@H](C)CC(C)C	591385644	346814667	/nfs/dbraw/zinc/81/46/67/346814667.db2.gz	CSEXDDWRMGBIMC-VHSXEESVSA-N	0	0	190.352	3.189	10	0		AGAERN
COCCCS[C@H](C)CC(C)C	591389821	346814894	/nfs/dbraw/zinc/81/48/94/346814894.db2.gz	VVNOFJKEXJQUHW-SNVBAGLBSA-N	0	0	190.352	3.191	10	0		AGAERN
CCC[C@H](C)SCCCCOC	591391802	346814921	/nfs/dbraw/zinc/81/49/21/346814921.db2.gz	ABMXNONLCNQKKI-JTQLQIEISA-N	0	0	190.352	3.335	10	0		AGAERN
CCC[C@@H](C)SCCCCOC	591391803	346814969	/nfs/dbraw/zinc/81/49/69/346814969.db2.gz	ABMXNONLCNQKKI-SNVBAGLBSA-N	0	0	190.352	3.335	10	0		AGAERN
C[C@@H]1CC[C@@H](SCCCF)C1	591386304	346815036	/nfs/dbraw/zinc/81/50/36/346815036.db2.gz	PHBAUOAEBOETLU-RKDXNWHRSA-N	0	0	176.300	3.268	10	0		AGAERN
C[C@@H]1CC[C@H](SCCCF)C1	591386301	346815043	/nfs/dbraw/zinc/81/50/43/346815043.db2.gz	PHBAUOAEBOETLU-BDAKNGLRSA-N	0	0	176.300	3.268	10	0		AGAERN
CO[C@H](C)CS[C@H](C)CC(C)C	591388938	346815070	/nfs/dbraw/zinc/81/50/70/346815070.db2.gz	ALZNGVWQGVTFGL-NXEZZACHSA-N	0	0	190.352	3.189	10	0		AGAERN
C[C@H]1CC[C@H](SCCCF)C1	591386303	346815089	/nfs/dbraw/zinc/81/50/89/346815089.db2.gz	PHBAUOAEBOETLU-IUCAKERBSA-N	0	0	176.300	3.268	10	0		AGAERN
COCCCS[C@@H](C)CC(C)C	591389820	346815168	/nfs/dbraw/zinc/81/51/68/346815168.db2.gz	VVNOFJKEXJQUHW-JTQLQIEISA-N	0	0	190.352	3.191	10	0		AGAERN
C[C@H]1CC[C@@H](SCCCF)C1	591386302	346815193	/nfs/dbraw/zinc/81/51/93/346815193.db2.gz	PHBAUOAEBOETLU-DTWKUNHWSA-N	0	0	176.300	3.268	10	0		AGAERN
CO[C@H](C)CS[C@@H](C)CC(C)C	591388941	346815210	/nfs/dbraw/zinc/81/52/10/346815210.db2.gz	ALZNGVWQGVTFGL-ZJUUUORDSA-N	0	0	190.352	3.189	10	0		AGAERN
CO[C@@H](C)CS[C@@H](C)CC(C)C	591388939	346815238	/nfs/dbraw/zinc/81/52/38/346815238.db2.gz	ALZNGVWQGVTFGL-UWVGGRQHSA-N	0	0	190.352	3.189	10	0		AGAERN
CO[C@@H](C)CS[C@H](C)CC(C)C	591388940	346815244	/nfs/dbraw/zinc/81/52/44/346815244.db2.gz	ALZNGVWQGVTFGL-VHSXEESVSA-N	0	0	190.352	3.189	10	0		AGAERN
C[C@@H]1OCC[C@H]1SCC1=CCCC1	592348115	346828723	/nfs/dbraw/zinc/82/87/23/346828723.db2.gz	HFFCVADSPQQICP-GXSJLCMTSA-N	0	0	198.331	3.007	10	0		AGAERN
C[C@H]1OCC[C@@H]1SCC1=CCCC1	592348117	346828939	/nfs/dbraw/zinc/82/89/39/346828939.db2.gz	HFFCVADSPQQICP-KOLCDFICSA-N	0	0	198.331	3.007	10	0		AGAERN
C1=C(CSC2CCOCC2)CCC1	592348561	346829129	/nfs/dbraw/zinc/82/91/29/346829129.db2.gz	PCUBAYPKGVLZOL-UHFFFAOYSA-N	0	0	198.331	3.009	10	0		AGAERN
C[C@@H]1OCC[C@@H]1SCC1=CCCC1	592348120	346829181	/nfs/dbraw/zinc/82/91/81/346829181.db2.gz	HFFCVADSPQQICP-ONGXEEELSA-N	0	0	198.331	3.007	10	0		AGAERN
CC(C)SCC1=CCCC1	592452174	346831538	/nfs/dbraw/zinc/83/15/38/346831538.db2.gz	DXHHZZRLIAFGSK-UHFFFAOYSA-N	0	0	156.294	3.238	10	0		AGAERN
CCCSCC1=CCCC1	592452713	346832112	/nfs/dbraw/zinc/83/21/12/346832112.db2.gz	HLAMIGFARARIFZ-UHFFFAOYSA-N	0	0	156.294	3.240	10	0		AGAERN
C1=C(CSCc2ccno2)CCC1	592453059	346832165	/nfs/dbraw/zinc/83/21/65/346832165.db2.gz	VSXFPSLBXCILIB-UHFFFAOYSA-N	0	0	195.287	3.018	10	0		AGAERN
CSCCC(C)(C)C1CC1	594453235	346849067	/nfs/dbraw/zinc/84/90/67/346849067.db2.gz	NQTXDORTFIBLQX-UHFFFAOYSA-N	0	0	158.310	3.176	10	0		AGAERN
CCC[C@H](C)SCc1coc(C)n1	594569617	346849419	/nfs/dbraw/zinc/84/94/19/346849419.db2.gz	AQXNPNVYSPJDMD-QMMMGPOBSA-N	0	0	199.319	3.405	10	0		AGAERN
CC[C@H](C)CSCc1coc(C)n1	594559435	346849410	/nfs/dbraw/zinc/84/94/10/346849410.db2.gz	DYBACZUYHXCGAH-QMMMGPOBSA-N	0	0	199.319	3.262	10	0		AGAERN
Cc1nc(CSCC2CCC2)co1	594559619	346849464	/nfs/dbraw/zinc/84/94/64/346849464.db2.gz	SEAMKBBPHIISHM-UHFFFAOYSA-N	0	0	197.303	3.016	10	0		AGAERN
Cc1nc(CSCCC2CC2)co1	594559603	346849520	/nfs/dbraw/zinc/84/95/20/346849520.db2.gz	SGISZHDOPLABLW-UHFFFAOYSA-N	0	0	197.303	3.016	10	0		AGAERN
Cc1nc(CSC2CCCC2)co1	594569624	346849524	/nfs/dbraw/zinc/84/95/24/346849524.db2.gz	CGGGZRRELOHASD-UHFFFAOYSA-N	0	0	197.303	3.159	10	0		AGAERN
CCCCCSCc1coc(C)n1	594559534	346849531	/nfs/dbraw/zinc/84/95/31/346849531.db2.gz	PXNFZXMPLDDQBL-UHFFFAOYSA-N	0	0	199.319	3.406	10	0		AGAERN
CC[C@@H](C)CSCc1coc(C)n1	594559433	346849544	/nfs/dbraw/zinc/84/95/44/346849544.db2.gz	DYBACZUYHXCGAH-MRVPVSSYSA-N	0	0	199.319	3.262	10	0		AGAERN
C/C=C/CSCc1ccc(C)nc1	594556675	346849560	/nfs/dbraw/zinc/84/95/60/346849560.db2.gz	FTLXSNUGIXCDSH-ONEGZZNKSA-N	0	0	193.315	3.199	10	0		AGAERN
C/C=C\CSCc1ccc(C)nc1	594556674	346849598	/nfs/dbraw/zinc/84/95/98/346849598.db2.gz	FTLXSNUGIXCDSH-ARJAWSKDSA-N	0	0	193.315	3.199	10	0		AGAERN
CC(C)=CCSCc1coc(C)n1	594567347	346849622	/nfs/dbraw/zinc/84/96/22/346849622.db2.gz	YMJZWERUBDEMMT-UHFFFAOYSA-N	0	0	197.303	3.182	10	0		AGAERN
CCC[C@@H](C)SCc1coc(C)n1	594569615	346849653	/nfs/dbraw/zinc/84/96/53/346849653.db2.gz	AQXNPNVYSPJDMD-MRVPVSSYSA-N	0	0	199.319	3.405	10	0		AGAERN
CCCCSCc1coc(C)n1	594556586	346849656	/nfs/dbraw/zinc/84/96/56/346849656.db2.gz	RDQGVBIUMKTKFX-UHFFFAOYSA-N	0	0	185.292	3.016	10	0		AGAERN
Cc1nc(CSCCC(C)C)co1	594555525	346849665	/nfs/dbraw/zinc/84/96/65/346849665.db2.gz	GLNJIBIHLFDSCX-UHFFFAOYSA-N	0	0	199.319	3.262	10	0		AGAERN
CSCC[C@H]1CCc2ccccc21	594885219	346852145	/nfs/dbraw/zinc/85/21/45/346852145.db2.gz	BRSNOVRPQRXSNL-LLVKDONJSA-N	0	0	192.327	3.470	10	0		AGAERN
CC(C)CSCc1cncs1	594882422	346852219	/nfs/dbraw/zinc/85/22/19/346852219.db2.gz	UZPMUMXMDTZTDO-UHFFFAOYSA-N	0	0	187.333	3.032	10	0		AGAERN
CSCC[C@@H]1CCc2ccccc21	594885220	346852242	/nfs/dbraw/zinc/85/22/42/346852242.db2.gz	BRSNOVRPQRXSNL-NSHDSACASA-N	0	0	192.327	3.470	10	0		AGAERN
CSCc1ccsc1Cl	594885224	346852766	/nfs/dbraw/zinc/85/27/66/346852766.db2.gz	BYCMPGGXCKTOJZ-UHFFFAOYSA-N	0	0	178.709	3.265	10	0		AGAERN
CCC(CC)SCc1coc(C)n1	594889922	346852871	/nfs/dbraw/zinc/85/28/71/346852871.db2.gz	DDRDEOQCVNFTEL-UHFFFAOYSA-N	0	0	199.319	3.405	10	0		AGAERN
CCOCCSCCC=C(C)C	594895156	346853389	/nfs/dbraw/zinc/85/33/89/346853389.db2.gz	IFJIAKPHFRDTNQ-UHFFFAOYSA-N	0	0	188.336	3.112	10	0		AGAERN
CCOCCSCC(CC)CC	594894509	346853511	/nfs/dbraw/zinc/85/35/11/346853511.db2.gz	BAUZKXAMGBQCRA-UHFFFAOYSA-N	0	0	190.352	3.192	10	0		AGAERN
Cc1nc(CS[C@@H](C)C(C)C)co1	594894709	346853544	/nfs/dbraw/zinc/85/35/44/346853544.db2.gz	DTQSXZBYILJXDO-QMMMGPOBSA-N	0	0	199.319	3.261	10	0		AGAERN
CCc1nocc1CSC1CCC1	594899920	346853850	/nfs/dbraw/zinc/85/38/50/346853850.db2.gz	DIAMWCBKOXQWRS-UHFFFAOYSA-N	0	0	197.303	3.023	10	0		AGAERN
CC(C)=CCCSCC1CC1	594897082	346854246	/nfs/dbraw/zinc/85/42/46/346854246.db2.gz	FRDQJVLOQWMKKF-UHFFFAOYSA-N	0	0	170.321	3.486	10	0		AGAERN
CC(C)=CCSCc1cncs1	594899960	346854289	/nfs/dbraw/zinc/85/42/89/346854289.db2.gz	JTPUIHBZYTUOST-UHFFFAOYSA-N	0	0	199.344	3.343	10	0		AGAERN
CC1=CC[C@@](C)(C(=O)OC(C)C)CC1	594917083	346855358	/nfs/dbraw/zinc/85/53/58/346855358.db2.gz	GYXHLDZEICVRJF-GFCCVEGCSA-N	0	0	196.290	3.075	10	0		AGAERN
CC1=CC[C@](C)(C(=O)OC(C)C)CC1	594917084	346855401	/nfs/dbraw/zinc/85/54/01/346855401.db2.gz	GYXHLDZEICVRJF-LBPRGKRZSA-N	0	0	196.290	3.075	10	0		AGAERN
CCSCCCC1CCC1	596328433	346874858	/nfs/dbraw/zinc/87/48/58/346874858.db2.gz	BTPYWDBUWKKAIS-UHFFFAOYSA-N	0	0	158.310	3.320	10	0		AGAERN
Cc1nocc1CSCCC(C)C	596328821	346874874	/nfs/dbraw/zinc/87/48/74/346874874.db2.gz	HFNJZKFKWSCMMO-UHFFFAOYSA-N	0	0	199.319	3.262	10	0		AGAERN
CCSC[C@@H]1CC[C@@H]2C[C@@H]2C1	596328491	346875027	/nfs/dbraw/zinc/87/50/27/346875027.db2.gz	DBPCQEZJRLEOJJ-BBBLOLIVSA-N	0	0	170.321	3.176	10	0		AGAERN
CCSC[C@@H]1CC[C@H]2C[C@H]2C1	596328497	346875074	/nfs/dbraw/zinc/87/50/74/346875074.db2.gz	DBPCQEZJRLEOJJ-KXUCPTDWSA-N	0	0	170.321	3.176	10	0		AGAERN
CCCCSCc1conc1C	596331265	346875086	/nfs/dbraw/zinc/87/50/86/346875086.db2.gz	AATIVDOWDAJUQZ-UHFFFAOYSA-N	0	0	185.292	3.016	10	0		AGAERN
CC(C)SCC[C@H]1CCCCO1	596338733	346875416	/nfs/dbraw/zinc/87/54/16/346875416.db2.gz	LIGUROAMXOCJEV-SNVBAGLBSA-N	0	0	188.336	3.087	10	0		AGAERN
C/C=C\CSCC1C[C@@H]2C[C@@H]2C1	596338972	346875426	/nfs/dbraw/zinc/87/54/26/346875426.db2.gz	CUHDWHFYGPOMLL-NZPIVRBNSA-N	0	0	182.332	3.342	10	0		AGAERN
CCCCS[C@@H]1COC(C)(C)C1	596332828	346875429	/nfs/dbraw/zinc/87/54/29/346875429.db2.gz	SNSCCQRXIPSLNJ-VIFPVBQESA-N	0	0	188.336	3.087	10	0		AGAERN
C/C=C/CSCC1C[C@@H]2C[C@@H]2C1	596338973	346875532	/nfs/dbraw/zinc/87/55/32/346875532.db2.gz	CUHDWHFYGPOMLL-UUONQYDUSA-N	0	0	182.332	3.342	10	0		AGAERN
CCCSC[C@H]1C[C@@H]2C[C@@H]2C1	596331772	346875573	/nfs/dbraw/zinc/87/55/73/346875573.db2.gz	GEZJIDIRAFJGIR-ILWJIGKKSA-N	0	0	170.321	3.176	10	0		AGAERN
CC(C)SC[C@H]1C[C@@H]2C[C@@H]2C1	596338208	346875582	/nfs/dbraw/zinc/87/55/82/346875582.db2.gz	FMKBEHNRDDCFSL-ILWJIGKKSA-N	0	0	170.321	3.174	10	0		AGAERN
CC(C)SCCC1CCC1	596338217	346875594	/nfs/dbraw/zinc/87/55/94/346875594.db2.gz	FQNNGUOORPSELC-UHFFFAOYSA-N	0	0	158.310	3.318	10	0		AGAERN
CCCCSCc1cncs1	596333006	346875608	/nfs/dbraw/zinc/87/56/08/346875608.db2.gz	USAPLJJDYZOAMV-UHFFFAOYSA-N	0	0	187.333	3.176	10	0		AGAERN
CCCSCC[C@@H]1CCCCO1	596332831	346875614	/nfs/dbraw/zinc/87/56/14/346875614.db2.gz	STGIGWPAPFZZSE-JTQLQIEISA-N	0	0	188.336	3.089	10	0		AGAERN
CCCSCC[C@H]1CCCCO1	596332832	346875622	/nfs/dbraw/zinc/87/56/22/346875622.db2.gz	STGIGWPAPFZZSE-SNVBAGLBSA-N	0	0	188.336	3.089	10	0		AGAERN
CCCSCCC1CCC1	596331716	346875634	/nfs/dbraw/zinc/87/56/34/346875634.db2.gz	DVCJKCIUXJELDL-UHFFFAOYSA-N	0	0	158.310	3.320	10	0		AGAERN
CC(C)SCC[C@@H]1CCCCO1	596338732	346875679	/nfs/dbraw/zinc/87/56/79/346875679.db2.gz	LIGUROAMXOCJEV-JTQLQIEISA-N	0	0	188.336	3.087	10	0		AGAERN
CCCCS[C@H]1COC(C)(C)C1	596332827	346875689	/nfs/dbraw/zinc/87/56/89/346875689.db2.gz	SNSCCQRXIPSLNJ-SECBINFHSA-N	0	0	188.336	3.087	10	0		AGAERN
c1cc(CSCCC2CCC2)on1	596343448	346876017	/nfs/dbraw/zinc/87/60/17/346876017.db2.gz	VCTYSUHQNMCHDS-UHFFFAOYSA-N	0	0	197.303	3.098	10	0		AGAERN
c1ncc(CSCC2CCC2)s1	596342391	346876024	/nfs/dbraw/zinc/87/60/24/346876024.db2.gz	WTFNPWPKZGAXAK-UHFFFAOYSA-N	0	0	199.344	3.176	10	0		AGAERN
CCC(CC)CSCc1ccno1	596342774	346876072	/nfs/dbraw/zinc/87/60/72/346876072.db2.gz	OTMSUJZKSFLMRL-UHFFFAOYSA-N	0	0	199.319	3.344	10	0		AGAERN
FCCCSC[C@H]1C[C@@H]2C[C@@H]2C1	596344179	346876094	/nfs/dbraw/zinc/87/60/94/346876094.db2.gz	DXDAQFXPBNAYKP-ILWJIGKKSA-N	0	0	188.311	3.125	10	0		AGAERN
CC(C)=CCCSCc1ccno1	596342732	346876150	/nfs/dbraw/zinc/87/61/50/346876150.db2.gz	NQBORKGTROPNLQ-UHFFFAOYSA-N	0	0	197.303	3.264	10	0		AGAERN
FCCCSCCC1CCC1	596344522	346876195	/nfs/dbraw/zinc/87/61/95/346876195.db2.gz	HOEFRWYOKMDCDN-UHFFFAOYSA-N	0	0	176.300	3.269	10	0		AGAERN
CO[C@@H](C)CSCCC=C(C)C	596354406	346876655	/nfs/dbraw/zinc/87/66/55/346876655.db2.gz	CVSKJHPZIOWFRG-JTQLQIEISA-N	0	0	188.336	3.111	10	0		AGAERN
COCCCSCCC=C(C)C	596359862	346876812	/nfs/dbraw/zinc/87/68/12/346876812.db2.gz	DOCSUGXHRFDNNL-UHFFFAOYSA-N	0	0	188.336	3.112	10	0		AGAERN
CO[C@H](C)CSCCC=C(C)C	596354407	346876864	/nfs/dbraw/zinc/87/68/64/346876864.db2.gz	CVSKJHPZIOWFRG-SNVBAGLBSA-N	0	0	188.336	3.111	10	0		AGAERN
c1ncc(CSCCC2CC2)s1	596354954	346876939	/nfs/dbraw/zinc/87/69/39/346876939.db2.gz	BBCSNUANKUQKRU-UHFFFAOYSA-N	0	0	199.344	3.176	10	0		AGAERN
CCCCCc1nc(C(C)(C)C)no1	598612319	346899319	/nfs/dbraw/zinc/89/93/19/346899319.db2.gz	GCNGBDMRHCWPJX-UHFFFAOYSA-N	0	0	196.294	3.100	10	0		AGAERN
FCCSC[C@@H]1CC[C@H]2C[C@H]2C1	598717711	346899562	/nfs/dbraw/zinc/89/95/62/346899562.db2.gz	IDANDMPINGHAGF-KXUCPTDWSA-N	0	0	188.311	3.125	10	0		AGAERN
FCCSC[C@@H]1CC[C@@H]2C[C@@H]2C1	598717710	346899894	/nfs/dbraw/zinc/89/98/94/346899894.db2.gz	IDANDMPINGHAGF-BBBLOLIVSA-N	0	0	188.311	3.125	10	0		AGAERN
CCCCCc1nc(CC(C)C)no1	598748419	346900625	/nfs/dbraw/zinc/90/06/25/346900625.db2.gz	BJSGIWGFSKLGRA-UHFFFAOYSA-N	0	0	196.294	3.001	10	0		AGAERN
CCCCCC(=O)N(C)C[C@@H](C)CC	599592622	346904758	/nfs/dbraw/zinc/90/47/58/346904758.db2.gz	BWRLIDJDIMQHHE-NSHDSACASA-N	0	0	199.338	3.071	10	0		AGAERN
CCCCCC(=O)N(C)C[C@H](C)CC	599592621	346904789	/nfs/dbraw/zinc/90/47/89/346904789.db2.gz	BWRLIDJDIMQHHE-LLVKDONJSA-N	0	0	199.338	3.071	10	0		AGAERN
CC(C)CSC[C@H]1C[C@H]1C	600512671	346908240	/nfs/dbraw/zinc/90/82/40/346908240.db2.gz	MNORYQDAJKNTIN-RKDXNWHRSA-N	0	0	158.310	3.032	10	0		AGAERN
C[C@H]1C[C@@H]1CSCc1ccco1	600508956	346908279	/nfs/dbraw/zinc/90/82/79/346908279.db2.gz	ORCLDLVHAYJJFZ-DTWKUNHWSA-N	0	0	182.288	3.169	10	0		AGAERN
C[C@H]1C[C@H]1CSCc1ccco1	600508957	346908362	/nfs/dbraw/zinc/90/83/62/346908362.db2.gz	ORCLDLVHAYJJFZ-IUCAKERBSA-N	0	0	182.288	3.169	10	0		AGAERN
Cc1nc(CSCC(C)C)c(C)o1	600510130	346908411	/nfs/dbraw/zinc/90/84/11/346908411.db2.gz	DZHNVUVQSNAWIO-UHFFFAOYSA-N	0	0	199.319	3.181	10	0		AGAERN
C[C@@H]1C[C@H]1CSC1CCCC1	600513555	346908424	/nfs/dbraw/zinc/90/84/24/346908424.db2.gz	YVDYANDLCJFBGK-BDAKNGLRSA-N	0	0	170.321	3.318	10	0		AGAERN
CC(C)CSC[C@H]1C[C@@H]1C	600512669	346908491	/nfs/dbraw/zinc/90/84/91/346908491.db2.gz	MNORYQDAJKNTIN-DTWKUNHWSA-N	0	0	158.310	3.032	10	0		AGAERN
CC(C)CSC[C@@H]1C[C@@H]1C	600512670	346908531	/nfs/dbraw/zinc/90/85/31/346908531.db2.gz	MNORYQDAJKNTIN-IUCAKERBSA-N	0	0	158.310	3.032	10	0		AGAERN
C[C@@H]1C[C@@H]1CSC1CCCC1	600513573	346908533	/nfs/dbraw/zinc/90/85/33/346908533.db2.gz	YVDYANDLCJFBGK-RKDXNWHRSA-N	0	0	170.321	3.318	10	0		AGAERN
C[C@H]1C[C@H]1CSC1CCCC1	600513571	346908552	/nfs/dbraw/zinc/90/85/52/346908552.db2.gz	YVDYANDLCJFBGK-IUCAKERBSA-N	0	0	170.321	3.318	10	0		AGAERN
C[C@@H]1C[C@@H]1CSCc1ccco1	600508959	346908582	/nfs/dbraw/zinc/90/85/82/346908582.db2.gz	ORCLDLVHAYJJFZ-RKDXNWHRSA-N	0	0	182.288	3.169	10	0		AGAERN
C[C@H]1C[C@@H]1CSC1CCCC1	600513570	346908640	/nfs/dbraw/zinc/90/86/40/346908640.db2.gz	YVDYANDLCJFBGK-DTWKUNHWSA-N	0	0	170.321	3.318	10	0		AGAERN
C[C@@H]1C[C@H]1CSCc1ccco1	600508927	346908654	/nfs/dbraw/zinc/90/86/54/346908654.db2.gz	ORCLDLVHAYJJFZ-BDAKNGLRSA-N	0	0	182.288	3.169	10	0		AGAERN
CC(C)CSC[C@@H]1C[C@H]1C	600512659	346908662	/nfs/dbraw/zinc/90/86/62/346908662.db2.gz	MNORYQDAJKNTIN-BDAKNGLRSA-N	0	0	158.310	3.032	10	0		AGAERN
C[C@H]1C[C@@H]1CSCCC(F)(F)F	600525292	346908894	/nfs/dbraw/zinc/90/88/94/346908894.db2.gz	AJALBPNKRMGVFY-NKWVEPMBSA-N	0	0	198.253	3.328	10	0		AGAERN
CSCc1ccccc1OC1CC1	600519695	346908989	/nfs/dbraw/zinc/90/89/89/346908989.db2.gz	LQBGDGGDMZSJIG-UHFFFAOYSA-N	0	0	194.299	3.091	10	0		AGAERN
C[C@@H]1C[C@H]1CSCCC(F)(F)F	600525295	346909046	/nfs/dbraw/zinc/90/90/46/346909046.db2.gz	AJALBPNKRMGVFY-RQJHMYQMSA-N	0	0	198.253	3.328	10	0		AGAERN
C[C@@H]1C[C@@H]1CSCCC(F)(F)F	600525294	346909154	/nfs/dbraw/zinc/90/91/54/346909154.db2.gz	AJALBPNKRMGVFY-RNFRBKRXSA-N	0	0	198.253	3.328	10	0		AGAERN
C[C@H]1C[C@H]1CSCCC(F)(F)F	600525285	346909187	/nfs/dbraw/zinc/90/91/87/346909187.db2.gz	AJALBPNKRMGVFY-BQBZGAKWSA-N	0	0	198.253	3.328	10	0		AGAERN
CCC(CC)SCCc1cnoc1	600522593	346909200	/nfs/dbraw/zinc/90/92/00/346909200.db2.gz	HQSNKAQFCSEDRB-UHFFFAOYSA-N	0	0	199.319	3.139	10	0		AGAERN
CSCCCSC[C@@H]1C[C@@H]1C	600549880	346910102	/nfs/dbraw/zinc/91/01/02/346910102.db2.gz	UNEMKAHXJBXYBT-IUCAKERBSA-N	0	0	190.377	3.129	10	0		AGAERN
Cc1cnccc1CSC1CCC1	600543461	346910191	/nfs/dbraw/zinc/91/01/91/346910191.db2.gz	AQHTVKCLNRJWAF-UHFFFAOYSA-N	0	0	193.315	3.176	10	0		AGAERN
CSCCCSC[C@@H]1C[C@H]1C	600549864	346910218	/nfs/dbraw/zinc/91/02/18/346910218.db2.gz	UNEMKAHXJBXYBT-BDAKNGLRSA-N	0	0	190.377	3.129	10	0		AGAERN
CSCCCSC[C@H]1C[C@H]1C	600549881	346910222	/nfs/dbraw/zinc/91/02/22/346910222.db2.gz	UNEMKAHXJBXYBT-RKDXNWHRSA-N	0	0	190.377	3.129	10	0		AGAERN
CSCCCSC[C@H]1C[C@@H]1C	600549878	346910309	/nfs/dbraw/zinc/91/03/09/346910309.db2.gz	UNEMKAHXJBXYBT-DTWKUNHWSA-N	0	0	190.377	3.129	10	0		AGAERN
Cc1nc(CSC2CCC2)c(C)o1	600545118	346910389	/nfs/dbraw/zinc/91/03/89/346910389.db2.gz	MRZFDUXWSNZOHF-UHFFFAOYSA-N	0	0	197.303	3.077	10	0		AGAERN
Cc1cnccc1CSCC1CC1	600551727	346910420	/nfs/dbraw/zinc/91/04/20/346910420.db2.gz	FXEOKCDTOOIOHB-UHFFFAOYSA-N	0	0	193.315	3.033	10	0		AGAERN
CC[C@@H](C)S[C@H]1COC(C)(C)C1	600571845	346910704	/nfs/dbraw/zinc/91/07/04/346910704.db2.gz	SVBMIZZAPLSBTB-RKDXNWHRSA-N	0	0	188.336	3.086	10	0		AGAERN
CCCCSC[C@@H]1C[C@H]1C	600614838	346912407	/nfs/dbraw/zinc/91/24/07/346912407.db2.gz	DVQYFWZGJKKNEA-BDAKNGLRSA-N	0	0	158.310	3.176	10	0		AGAERN
CC[C@H](C)S[C@H]1COC(C)(C)C1	600571811	346910805	/nfs/dbraw/zinc/91/08/05/346910805.db2.gz	SVBMIZZAPLSBTB-DTWKUNHWSA-N	0	0	188.336	3.086	10	0		AGAERN
CC[C@H](C)S[C@@H]1COC(C)(C)C1	600571814	346910897	/nfs/dbraw/zinc/91/08/97/346910897.db2.gz	SVBMIZZAPLSBTB-IUCAKERBSA-N	0	0	188.336	3.086	10	0		AGAERN
CC[C@@H](C)S[C@@H]1COC(C)(C)C1	600571803	346911018	/nfs/dbraw/zinc/91/10/18/346911018.db2.gz	SVBMIZZAPLSBTB-BDAKNGLRSA-N	0	0	188.336	3.086	10	0		AGAERN
C[C@H](SCCF)c1ccccc1	600601990	346911388	/nfs/dbraw/zinc/91/13/88/346911388.db2.gz	KDKWIUKPGXBDEU-VIFPVBQESA-N	0	0	184.279	3.450	10	0		AGAERN
FC(F)CSC[C@H]1C[C@@H]2C[C@@H]2C1	600578263	346911504	/nfs/dbraw/zinc/91/15/04/346911504.db2.gz	LUWPSVQZZZNUFG-RNLVFQAGSA-N	0	0	192.274	3.031	10	0		AGAERN
CCCCSC[C@@H]1C[C@@H]1C	600614841	346912073	/nfs/dbraw/zinc/91/20/73/346912073.db2.gz	DVQYFWZGJKKNEA-IUCAKERBSA-N	0	0	158.310	3.176	10	0		AGAERN
C[C@@H]1C[C@@H]1CSCC1CCC1	600621649	346912097	/nfs/dbraw/zinc/91/20/97/346912097.db2.gz	BDWCGCMCMJITOD-PSASIEDQSA-N	0	0	170.321	3.176	10	0		AGAERN
CCSCC1CC(C)(C)C1	600617933	346912117	/nfs/dbraw/zinc/91/21/17/346912117.db2.gz	DHCIPPJJPIXULH-UHFFFAOYSA-N	0	0	158.310	3.176	10	0		AGAERN
C[C@H]1C[C@@H]1CSCC1CCC1	600621652	346912220	/nfs/dbraw/zinc/91/22/20/346912220.db2.gz	BDWCGCMCMJITOD-WCBMZHEXSA-N	0	0	170.321	3.176	10	0		AGAERN
C/C=C\CSCC[C@@H]1CCCC1=O	600621467	346912225	/nfs/dbraw/zinc/91/22/25/346912225.db2.gz	ACMDJCOHYKDUJQ-ZMWSMAPVSA-N	0	0	198.331	3.055	10	0		AGAERN
C/C=C\CSCC[C@H]1CCCC1=O	600621464	346912309	/nfs/dbraw/zinc/91/23/09/346912309.db2.gz	ACMDJCOHYKDUJQ-MXQLGCADSA-N	0	0	198.331	3.055	10	0		AGAERN
CCCCSC[C@H]1C[C@@H]1C	600614839	346912375	/nfs/dbraw/zinc/91/23/75/346912375.db2.gz	DVQYFWZGJKKNEA-DTWKUNHWSA-N	0	0	158.310	3.176	10	0		AGAERN
C/C=C/CSCC[C@H]1CCCC1=O	600621466	346912389	/nfs/dbraw/zinc/91/23/89/346912389.db2.gz	ACMDJCOHYKDUJQ-VMZHVLLKSA-N	0	0	198.331	3.055	10	0		AGAERN
C/C=C/CSCC[C@@H]1CCCC1=O	600621465	346912401	/nfs/dbraw/zinc/91/24/01/346912401.db2.gz	ACMDJCOHYKDUJQ-PBKGFPTLSA-N	0	0	198.331	3.055	10	0		AGAERN
C[C@H]1C[C@H]1CSCC1CCC1	600621654	346912404	/nfs/dbraw/zinc/91/24/04/346912404.db2.gz	BDWCGCMCMJITOD-WPRPVWTQSA-N	0	0	170.321	3.176	10	0		AGAERN
CCCCSC[C@H]1C[C@H]1C	600614842	346912450	/nfs/dbraw/zinc/91/24/50/346912450.db2.gz	DVQYFWZGJKKNEA-RKDXNWHRSA-N	0	0	158.310	3.176	10	0		AGAERN
C[C@@H]1C[C@H]1CSCC1CCC1	600621651	346912467	/nfs/dbraw/zinc/91/24/67/346912467.db2.gz	BDWCGCMCMJITOD-SCZZXKLOSA-N	0	0	170.321	3.176	10	0		AGAERN
C[C@@H]1C[C@@H]1CSCCC1CC1	600627336	346912771	/nfs/dbraw/zinc/91/27/71/346912771.db2.gz	NJKUFKKMEXOORT-PSASIEDQSA-N	0	0	170.321	3.176	10	0		AGAERN
C[C@H]1C[C@H]1CSCCC1CC1	600627339	346912868	/nfs/dbraw/zinc/91/28/68/346912868.db2.gz	NJKUFKKMEXOORT-WPRPVWTQSA-N	0	0	170.321	3.176	10	0		AGAERN
C[C@@H]1C[C@H]1CSCc1nccs1	600622363	346912941	/nfs/dbraw/zinc/91/29/41/346912941.db2.gz	MVAGRLWZINFPHV-SFYZADRCSA-N	0	0	199.344	3.032	10	0		AGAERN
C[C@@H]1C[C@H]1CSCCC1CC1	600627337	346912965	/nfs/dbraw/zinc/91/29/65/346912965.db2.gz	NJKUFKKMEXOORT-SCZZXKLOSA-N	0	0	170.321	3.176	10	0		AGAERN
C[C@H]1C[C@@H]1CSCCC1CC1	600627338	346913201	/nfs/dbraw/zinc/91/32/01/346913201.db2.gz	NJKUFKKMEXOORT-WCBMZHEXSA-N	0	0	170.321	3.176	10	0		AGAERN
C[C@H]1C[C@@H]1CSCc1nccs1	600622362	346913210	/nfs/dbraw/zinc/91/32/10/346913210.db2.gz	MVAGRLWZINFPHV-JGVFFNPUSA-N	0	0	199.344	3.032	10	0		AGAERN
C[C@@H]1C[C@@H]1CSCc1nccs1	600622360	346913218	/nfs/dbraw/zinc/91/32/18/346913218.db2.gz	MVAGRLWZINFPHV-HTQZYQBOSA-N	0	0	199.344	3.032	10	0		AGAERN
C[C@H]1C[C@H]1CSCc1nccs1	600622364	346913225	/nfs/dbraw/zinc/91/32/25/346913225.db2.gz	MVAGRLWZINFPHV-YUMQZZPRSA-N	0	0	199.344	3.032	10	0		AGAERN
C[C@H]1C[C@H]1CSCc1cncs1	600635343	346913529	/nfs/dbraw/zinc/91/35/29/346913529.db2.gz	BATNPHCKEKZXRM-YUMQZZPRSA-N	0	0	199.344	3.032	10	0		AGAERN
C[C@H]1C[C@H]1CSCCCCF	600632533	346913583	/nfs/dbraw/zinc/91/35/83/346913583.db2.gz	UETOMKIDQGDMDK-IUCAKERBSA-N	0	0	176.300	3.125	10	0		AGAERN
C[C@@H]1C[C@H]1CSCCCCF	600632531	346913596	/nfs/dbraw/zinc/91/35/96/346913596.db2.gz	UETOMKIDQGDMDK-BDAKNGLRSA-N	0	0	176.300	3.125	10	0		AGAERN
C[C@@H]1C[C@H]1CSCc1cncs1	600635341	346913646	/nfs/dbraw/zinc/91/36/46/346913646.db2.gz	BATNPHCKEKZXRM-SFYZADRCSA-N	0	0	199.344	3.032	10	0		AGAERN
C[C@@H]1C[C@@H]1CSCc1cncs1	600635338	346913649	/nfs/dbraw/zinc/91/36/49/346913649.db2.gz	BATNPHCKEKZXRM-HTQZYQBOSA-N	0	0	199.344	3.032	10	0		AGAERN
C[C@@H]1C[C@@H]1CSCCCCF	600632534	346913749	/nfs/dbraw/zinc/91/37/49/346913749.db2.gz	UETOMKIDQGDMDK-RKDXNWHRSA-N	0	0	176.300	3.125	10	0		AGAERN
C[C@H]1C[C@@H]1CSCc1cncs1	600635340	346913792	/nfs/dbraw/zinc/91/37/92/346913792.db2.gz	BATNPHCKEKZXRM-JGVFFNPUSA-N	0	0	199.344	3.032	10	0		AGAERN
C[C@H]1C[C@@H]1CSCCCCF	600632532	346913809	/nfs/dbraw/zinc/91/38/09/346913809.db2.gz	UETOMKIDQGDMDK-DTWKUNHWSA-N	0	0	176.300	3.125	10	0		AGAERN
C[C@H]1C[C@H]1CSCC1CC=CC1	600638386	346914089	/nfs/dbraw/zinc/91/40/89/346914089.db2.gz	PQSCHZFLJHPYBH-ONGXEEELSA-N	0	0	182.332	3.342	10	0		AGAERN
C[C@H]1C[C@@H]1CSCC1CC=CC1	600638383	346914099	/nfs/dbraw/zinc/91/40/99/346914099.db2.gz	PQSCHZFLJHPYBH-GXSJLCMTSA-N	0	0	182.332	3.342	10	0		AGAERN
C[C@@H]1C[C@H]1CSCC1CC=CC1	600638384	346914118	/nfs/dbraw/zinc/91/41/18/346914118.db2.gz	PQSCHZFLJHPYBH-KOLCDFICSA-N	0	0	182.332	3.342	10	0		AGAERN
C[C@@H]1C[C@@H]1CSC[C@H]1C[C@H]1C	600648309	346914134	/nfs/dbraw/zinc/91/41/34/346914134.db2.gz	SNWDLQYNVAJRLY-ZYUZMQFOSA-N	0	0	170.321	3.032	10	0		AGAERN
C[C@H]1C[C@@H]1CSC[C@H]1C[C@H]1C	600648307	346914280	/nfs/dbraw/zinc/91/42/80/346914280.db2.gz	SNWDLQYNVAJRLY-UTINFBMNSA-N	0	0	170.321	3.032	10	0		AGAERN
C[C@@H]1C[C@@H]1CSC[C@@H]1C[C@H]1C	600648306	346914353	/nfs/dbraw/zinc/91/43/53/346914353.db2.gz	SNWDLQYNVAJRLY-KYXWUPHJSA-N	0	0	170.321	3.032	10	0		AGAERN
C[C@@H]1C[C@@H]1CSCC1CC=CC1	600638385	346914407	/nfs/dbraw/zinc/91/44/07/346914407.db2.gz	PQSCHZFLJHPYBH-MWLCHTKSSA-N	0	0	182.332	3.342	10	0		AGAERN
C[C@H]1C[C@H]1CSC[C@H]1C[C@H]1C	600648308	346914412	/nfs/dbraw/zinc/91/44/12/346914412.db2.gz	SNWDLQYNVAJRLY-YNFQOJQRSA-N	0	0	170.321	3.032	10	0		AGAERN
CCSC[C@H]1CCC(F)(F)C1	601049235	346919857	/nfs/dbraw/zinc/91/98/57/346919857.db2.gz	UNMZFLQHAALBHQ-ZETCQYMHSA-N	0	0	180.263	3.175	10	0		AGAERN
CCSCc1c(C)cc(C)nc1C	601048917	346919977	/nfs/dbraw/zinc/91/99/77/346919977.db2.gz	MUZGJWGNTOUSJB-UHFFFAOYSA-N	0	0	195.331	3.260	10	0		AGAERN
CC1(C)CC(SCc2ccon2)C1	601049928	346920254	/nfs/dbraw/zinc/92/02/54/346920254.db2.gz	BOZUZRCRXWZVDI-UHFFFAOYSA-N	0	0	197.303	3.096	10	0		AGAERN
CCSC[C@@H]1CCC(F)(F)C1	601049234	346920264	/nfs/dbraw/zinc/92/02/64/346920264.db2.gz	UNMZFLQHAALBHQ-SSDOTTSWSA-N	0	0	180.263	3.175	10	0		AGAERN
CCNc1ccccc1CCSC	601925990	346926337	/nfs/dbraw/zinc/92/63/37/346926337.db2.gz	BIAVRTKVVUUJMF-UHFFFAOYSA-N	0	0	195.331	3.024	10	0		AGAERN
CCC[C@@H](C)C(=O)N(C(C)C)C(C)C	603089173	346950863	/nfs/dbraw/zinc/95/08/63/346950863.db2.gz	BWCQXNOTNRTDHC-LLVKDONJSA-N	0	0	199.338	3.068	10	0		AGAERN
CCC[C@H](C)C(=O)N(C(C)C)C(C)C	603089174	346950974	/nfs/dbraw/zinc/95/09/74/346950974.db2.gz	BWCQXNOTNRTDHC-NSHDSACASA-N	0	0	199.338	3.068	10	0		AGAERN
CCC[C@H](C)C(=O)NC(C)(CC)CC	603115806	346951546	/nfs/dbraw/zinc/95/15/46/346951546.db2.gz	YCRNJOHPAIZGSO-JTQLQIEISA-N	0	0	199.338	3.118	10	0		AGAERN
CCC[C@@H](C)C(=O)NC(C)(CC)CC	603115808	346951573	/nfs/dbraw/zinc/95/15/73/346951573.db2.gz	YCRNJOHPAIZGSO-SNVBAGLBSA-N	0	0	199.338	3.118	10	0		AGAERN
CCC(C)(CC)NC(=O)CC(C)(C)C	603115754	346951706	/nfs/dbraw/zinc/95/17/06/346951706.db2.gz	KWNMWXAYFIXINV-UHFFFAOYSA-N	0	0	199.338	3.118	10	0		AGAERN
CCC(C)(CC)NC(=O)CCC(C)C	603116810	346951792	/nfs/dbraw/zinc/95/17/92/346951792.db2.gz	HZVFJWPFOJUDQN-UHFFFAOYSA-N	0	0	199.338	3.118	10	0		AGAERN
CCCCCC(=O)N(C)C(C)(C)CC	603785210	346958053	/nfs/dbraw/zinc/95/80/53/346958053.db2.gz	DSUOGUIKZLMVNT-UHFFFAOYSA-N	0	0	199.338	3.214	10	0		AGAERN
CC(C)(C)/C=C\c1nc(C2CC2)no1	604838986	346965343	/nfs/dbraw/zinc/96/53/43/346965343.db2.gz	PWDGIOOPWFYRKR-SREVYHEPSA-N	0	0	192.262	3.006	10	0		AGAERN
C[C@H]1CCC[C@@H](CF)C1(C)C	606302985	346978228	/nfs/dbraw/zinc/97/82/28/346978228.db2.gz	BVFFSSAHOXQBFF-IUCAKERBSA-N	0	0	158.260	3.418	10	0		AGAERN
Cc1coc2c1C(F)(F)CCC2	606302344	346977591	/nfs/dbraw/zinc/97/75/91/346977591.db2.gz	CTFIPDUTOHOTOI-UHFFFAOYSA-N	0	0	172.174	3.016	10	0		AGAERN
CC(F)(F)c1cccc2cnccc12	606302322	346977659	/nfs/dbraw/zinc/97/76/59/346977659.db2.gz	CLDYIDMHQNRHHL-UHFFFAOYSA-N	0	0	193.196	3.347	10	0		AGAERN
Cc1cccc2nc(C(F)F)ccc12	606302404	346977683	/nfs/dbraw/zinc/97/76/83/346977683.db2.gz	FEOQTLASKLLIKC-UHFFFAOYSA-N	0	0	193.196	3.481	10	0		AGAERN
FCC1C[C@@H]2CCCC[C@H]2C1	606303016	346978048	/nfs/dbraw/zinc/97/80/48/346978048.db2.gz	BZGYXMDXKQLENF-UWVGGRQHSA-N	0	0	156.244	3.172	10	0		AGAERN
FCC1C[C@H]2CCCC[C@@H]2C1	606303010	346978074	/nfs/dbraw/zinc/97/80/74/346978074.db2.gz	BZGYXMDXKQLENF-NXEZZACHSA-N	0	0	156.244	3.172	10	0		AGAERN
C[C@@H]1CCC[C@H](CF)C1(C)C	606302986	346978098	/nfs/dbraw/zinc/97/80/98/346978098.db2.gz	BVFFSSAHOXQBFF-RKDXNWHRSA-N	0	0	158.260	3.418	10	0		AGAERN
Fc1cccc2ccc(C(F)F)nc12	606303044	346978102	/nfs/dbraw/zinc/97/81/02/346978102.db2.gz	CHJXYWZQUYTBCH-UHFFFAOYSA-N	0	0	197.159	3.312	10	0		AGAERN
CC(F)(F)c1ccc2cccnc2c1	606302969	346978119	/nfs/dbraw/zinc/97/81/19/346978119.db2.gz	BPIAVXLUDAXZDQ-UHFFFAOYSA-N	0	0	193.196	3.347	10	0		AGAERN
C[C@@H]1CCC[C@@H](CF)C1(C)C	606302982	346978142	/nfs/dbraw/zinc/97/81/42/346978142.db2.gz	BVFFSSAHOXQBFF-BDAKNGLRSA-N	0	0	158.260	3.418	10	0		AGAERN
C[C@H]1CCC[C@H](CF)C1(C)C	606302984	346978162	/nfs/dbraw/zinc/97/81/62/346978162.db2.gz	BVFFSSAHOXQBFF-DTWKUNHWSA-N	0	0	158.260	3.418	10	0		AGAERN
FC[C@H]1C[C@@H]2CCCC[C@@H]2C1	606303015	346978397	/nfs/dbraw/zinc/97/83/97/346978397.db2.gz	BZGYXMDXKQLENF-OWUUHHOZSA-N	0	0	156.244	3.172	10	0		AGAERN
Fc1cccc2nc(C(F)F)ccc12	606302853	346978411	/nfs/dbraw/zinc/97/84/11/346978411.db2.gz	AAWPTLHWUIUTDQ-UHFFFAOYSA-N	0	0	197.159	3.312	10	0		AGAERN
FC(F)c1ccoc1C(F)(F)F	606303463	346978922	/nfs/dbraw/zinc/97/89/22/346978922.db2.gz	FTWCOMWQNONSAC-UHFFFAOYSA-N	0	0	186.079	3.236	10	0		AGAERN
Fc1cc(C(F)F)cc2cccnc12	606303415	346978950	/nfs/dbraw/zinc/97/89/50/346978950.db2.gz	FFSCXBAKWBHUGY-UHFFFAOYSA-N	0	0	197.159	3.312	10	0		AGAERN
Cc1cc2nc(Cl)ccc2cc1F	606303564	346979392	/nfs/dbraw/zinc/97/93/92/346979392.db2.gz	RTQOVMQGWIMCKM-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
CC(F)(F)c1ccnc2ccccc12	606303482	346979404	/nfs/dbraw/zinc/97/94/04/346979404.db2.gz	QEOHKJCVABCBKO-UHFFFAOYSA-N	0	0	193.196	3.347	10	0		AGAERN
FCC1C[C@H]2CCC[C@@H](C1)C2	606303997	346979830	/nfs/dbraw/zinc/97/98/30/346979830.db2.gz	LCNBTQFVLZATNU-ULKQDVFKSA-N	0	0	156.244	3.172	10	0		AGAERN
CC(F)(F)c1cnc2ccccc2c1	606303810	346979980	/nfs/dbraw/zinc/97/99/80/346979980.db2.gz	WEPRHTGPURFMNS-UHFFFAOYSA-N	0	0	193.196	3.347	10	0		AGAERN
C[C@H]1CC[C@@](C)(CF)C1(C)C	606304212	346980414	/nfs/dbraw/zinc/98/04/14/346980414.db2.gz	RPMMCNSUFLDYEE-WPRPVWTQSA-N	0	0	158.260	3.418	10	0		AGAERN
CC(F)(F)c1ccc2ncccc2c1	606304198	346980441	/nfs/dbraw/zinc/98/04/41/346980441.db2.gz	RJFPFSGGOKLURU-UHFFFAOYSA-N	0	0	193.196	3.347	10	0		AGAERN
Cc1ccc([C@H]2CCCC[C@H]2F)nc1	606304233	346980445	/nfs/dbraw/zinc/98/04/45/346980445.db2.gz	SSBSCQWABIDLJZ-WDEREUQCSA-N	0	0	193.265	3.386	10	0		AGAERN
Cc1ccc([C@@H]2CCCC[C@H]2F)nc1	606304230	346980525	/nfs/dbraw/zinc/98/05/25/346980525.db2.gz	SSBSCQWABIDLJZ-GHMZBOCLSA-N	0	0	193.265	3.386	10	0		AGAERN
FCCCCCCc1ccccn1	606304123	346980581	/nfs/dbraw/zinc/98/05/81/346980581.db2.gz	PNLLGCVNMPKHRE-UHFFFAOYSA-N	0	0	181.254	3.154	10	0		AGAERN
Cc1ccc([C@@H]2CCCC[C@@H]2F)nc1	606304231	346980618	/nfs/dbraw/zinc/98/06/18/346980618.db2.gz	SSBSCQWABIDLJZ-MNOVXSKESA-N	0	0	193.265	3.386	10	0		AGAERN
Fc1ccc2ccc(C(F)F)nc2c1	606304274	346980909	/nfs/dbraw/zinc/98/09/09/346980909.db2.gz	UPQGIDUSUCVDGX-UHFFFAOYSA-N	0	0	197.159	3.312	10	0		AGAERN
CC1(C)Cc2occc2C(F)(F)C1	606304373	346980926	/nfs/dbraw/zinc/98/09/26/346980926.db2.gz	XPNPESLEYCEVOQ-UHFFFAOYSA-N	0	0	186.201	3.344	10	0		AGAERN
CC(F)(F)c1cccc2cccnc12	606304268	346980933	/nfs/dbraw/zinc/98/09/33/346980933.db2.gz	UHENWLPEKZSKGD-UHFFFAOYSA-N	0	0	193.196	3.347	10	0		AGAERN
CC(F)(F)c1cccc2ncccc12	606304440	346980938	/nfs/dbraw/zinc/98/09/38/346980938.db2.gz	ZDICBXGCHVLBOE-UHFFFAOYSA-N	0	0	193.196	3.347	10	0		AGAERN
CC(F)(F)c1ccc2ccccc2n1	606304428	346980967	/nfs/dbraw/zinc/98/09/67/346980967.db2.gz	YVOPWOHXTVYRCR-UHFFFAOYSA-N	0	0	193.196	3.347	10	0		AGAERN
CC(C)(CCF)c1ccc(O)cc1	606304338	346981034	/nfs/dbraw/zinc/98/10/34/346981034.db2.gz	WNDVQZHGTDNZJX-UHFFFAOYSA-N	0	0	182.238	3.029	10	0		AGAERN
FC(F)c1ccoc1C(F)F	606304471	346981798	/nfs/dbraw/zinc/98/17/98/346981798.db2.gz	ZZJIOALSBVWMPO-UHFFFAOYSA-N	0	0	168.089	3.155	10	0		AGAERN
CC(C)CCN(C#N)c1ccccc1	610651805	347028009	/nfs/dbraw/zinc/02/80/09/347028009.db2.gz	HXNXMYCBAZIYIE-UHFFFAOYSA-N	0	0	188.274	3.020	10	0		AGAERN
CC(C)OC(=O)C1(C)CCCCCC1	611572374	347040390	/nfs/dbraw/zinc/04/03/90/347040390.db2.gz	CTALVVDHIAPMPB-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
CC(C)=CCN(C)c1ccc(F)cc1	613490690	347060746	/nfs/dbraw/zinc/06/07/46/347060746.db2.gz	DQDHXGXJBGBKSO-UHFFFAOYSA-N	0	0	193.265	3.228	10	0		AGAERN
COC1=NCCCC[C@@H]1C1CCCC1	616569483	347097221	/nfs/dbraw/zinc/09/72/21/347097221.db2.gz	LUAKRTWMWJQCAP-LLVKDONJSA-N	0	0	195.306	3.022	10	0		AGAERN
COC1=NCCCC[C@H]1C1CCCC1	616569485	347097403	/nfs/dbraw/zinc/09/74/03/347097403.db2.gz	LUAKRTWMWJQCAP-NSHDSACASA-N	0	0	195.306	3.022	10	0		AGAERN
Cc1cccc(N[C@@H]2CCC[C@H]2F)c1	616581289	347104571	/nfs/dbraw/zinc/10/45/71/347104571.db2.gz	MDXPKOIEDBRVOB-VXGBXAGGSA-N	0	0	193.265	3.298	10	0		AGAERN
CC(C)c1nccn1[C@@H]1CCC[C@H]1F	616581432	347104606	/nfs/dbraw/zinc/10/46/06/347104606.db2.gz	QMKLAXRIRWFBIK-NXEZZACHSA-N	0	0	196.269	3.070	10	0		AGAERN
CC[C@H]1CCN(C)c2ccccc21	616591072	347105767	/nfs/dbraw/zinc/10/57/67/347105767.db2.gz	WQXOPVMONCXRLG-JTQLQIEISA-N	0	0	175.275	3.020	10	0		AGAERN
CC[C@@H]1CCN(C)c2ccccc21	616588554	347105855	/nfs/dbraw/zinc/10/58/55/347105855.db2.gz	WQXOPVMONCXRLG-SNVBAGLBSA-N	0	0	175.275	3.020	10	0		AGAERN
CC(C)N1CC[C@H](F)c2ccccc21	616589528	347106022	/nfs/dbraw/zinc/10/60/22/347106022.db2.gz	IFACJVDGGJVJID-NSHDSACASA-N	0	0	193.265	3.316	10	0		AGAERN
Cc1cc(C)c2nc(F)sc2c1	616589178	347106039	/nfs/dbraw/zinc/10/60/39/347106039.db2.gz	GSZBINBCSRTMCC-UHFFFAOYSA-N	0	0	181.235	3.052	10	0		AGAERN
Cc1cc2nc(F)sc2cc1C	616588614	347106076	/nfs/dbraw/zinc/10/60/76/347106076.db2.gz	DLXBLGYAJCSEAH-UHFFFAOYSA-N	0	0	181.235	3.052	10	0		AGAERN
CC(C)N1c2ccccc2CC[C@H]1F	616593977	347106934	/nfs/dbraw/zinc/10/69/34/347106934.db2.gz	MUYPMCFFYBFTQZ-LBPRGKRZSA-N	0	0	193.265	3.143	10	0		AGAERN
CC(C)N1c2ccccc2CC[C@@H]1F	616595636	347108174	/nfs/dbraw/zinc/10/81/74/347108174.db2.gz	MUYPMCFFYBFTQZ-GFCCVEGCSA-N	0	0	193.265	3.143	10	0		AGAERN
CC[C@@H]1Cc2ccccc2N(CC)C1	616670752	347165775	/nfs/dbraw/zinc/16/57/75/347165775.db2.gz	OXRRVVUULAGOGG-LLVKDONJSA-N	0	0	189.302	3.095	10	0		AGAERN
CC(C)N1CC[C@@H](F)c2ccccc21	616671874	347166403	/nfs/dbraw/zinc/16/64/03/347166403.db2.gz	IFACJVDGGJVJID-LLVKDONJSA-N	0	0	193.265	3.316	10	0		AGAERN
CC[C@H]1Cc2ccccc2N(CC)C1	616673166	347166724	/nfs/dbraw/zinc/16/67/24/347166724.db2.gz	OXRRVVUULAGOGG-NSHDSACASA-N	0	0	189.302	3.095	10	0		AGAERN
CCCCC(=O)N[C@H](C)C(C)(C)CC	617572354	347176738	/nfs/dbraw/zinc/17/67/38/347176738.db2.gz	GQWFVSQCPFDGFV-SNVBAGLBSA-N	0	0	199.338	3.118	10	0		AGAERN
CCCCC(=O)N[C@@H](C)C(C)(C)CC	617572353	347177026	/nfs/dbraw/zinc/17/70/26/347177026.db2.gz	GQWFVSQCPFDGFV-JTQLQIEISA-N	0	0	199.338	3.118	10	0		AGAERN
CCCC[N@@H+]1Cc2ccccc2[C@@H]1C	621398113	347229569	/nfs/dbraw/zinc/22/95/69/347229569.db2.gz	NVKCVYBYSSKMJD-NSHDSACASA-N	0	0	189.302	3.363	10	0		AGAERN
Cc1ccccc1N(C)CCCCF	622764305	347249981	/nfs/dbraw/zinc/24/99/81/347249981.db2.gz	CGILFCPYFVJOPV-UHFFFAOYSA-N	0	0	195.281	3.181	10	0		AGAERN
CC(C)c1nc(C2(C)CCCC2)no1	624753195	347281081	/nfs/dbraw/zinc/28/10/81/347281081.db2.gz	NSJAUNCPKOXJMT-UHFFFAOYSA-N	0	0	194.278	3.025	10	0		AGAERN
CCC[C@@H](C)CCCn1ccnc1C	625271455	347284373	/nfs/dbraw/zinc/28/43/73/347284373.db2.gz	VCPIVULKZMTGAH-LLVKDONJSA-N	0	0	194.322	3.408	10	0		AGAERN
CCC[C@H](C)CCCn1ccnc1	625228628	347284804	/nfs/dbraw/zinc/28/48/04/347284804.db2.gz	ZJQIAQVCUWAZRO-NSHDSACASA-N	0	0	180.295	3.100	10	0		AGAERN
CCC[C@@H](C)CCCn1ccnc1	625228625	347284862	/nfs/dbraw/zinc/28/48/62/347284862.db2.gz	ZJQIAQVCUWAZRO-LLVKDONJSA-N	0	0	180.295	3.100	10	0		AGAERN
CCC[C@H](C)CCCn1ccnc1C	625271456	347284871	/nfs/dbraw/zinc/28/48/71/347284871.db2.gz	VCPIVULKZMTGAH-NSHDSACASA-N	0	0	194.322	3.408	10	0		AGAERN
C[C@H]1C[C@H]1CSc1cccs1	629141055	347335076	/nfs/dbraw/zinc/33/50/76/347335076.db2.gz	UBIOQFLIGKQVTO-YUMQZZPRSA-N	0	0	184.329	3.496	10	0		AGAERN
Cc1nc(SC[C@@H]2C[C@H]2C)oc1C	629115650	347334499	/nfs/dbraw/zinc/33/44/99/347334499.db2.gz	KEHKBNSJLDCSAO-MUWHJKNJSA-N	0	0	197.303	3.040	10	0		AGAERN
Cc1nc(SC[C@H]2C[C@@H]2C)oc1C	629115649	347334593	/nfs/dbraw/zinc/33/45/93/347334593.db2.gz	KEHKBNSJLDCSAO-IMTBSYHQSA-N	0	0	197.303	3.040	10	0		AGAERN
Cc1nc(SC[C@H]2C[C@H]2C)oc1C	629115648	347334651	/nfs/dbraw/zinc/33/46/51/347334651.db2.gz	KEHKBNSJLDCSAO-HZGVNTEJSA-N	0	0	197.303	3.040	10	0		AGAERN
Cc1nc(SC[C@@H]2C[C@@H]2C)oc1C	629115651	347334781	/nfs/dbraw/zinc/33/47/81/347334781.db2.gz	KEHKBNSJLDCSAO-RCOVLWMOSA-N	0	0	197.303	3.040	10	0		AGAERN
C[C@H]1C[C@@H]1CSc1ccccc1O	629150403	347335052	/nfs/dbraw/zinc/33/50/52/347335052.db2.gz	QGMZPBXJEKIQLW-DTWKUNHWSA-N	0	0	194.299	3.140	10	0		AGAERN
C[C@@H]1C[C@@H]1CSc1cccs1	629141050	347335006	/nfs/dbraw/zinc/33/50/06/347335006.db2.gz	UBIOQFLIGKQVTO-HTQZYQBOSA-N	0	0	184.329	3.496	10	0		AGAERN
C[C@@H]1C[C@H]1CSc1cccs1	629141054	347335018	/nfs/dbraw/zinc/33/50/18/347335018.db2.gz	UBIOQFLIGKQVTO-SFYZADRCSA-N	0	0	184.329	3.496	10	0		AGAERN
Cc1ccc(SC[C@@H]2C[C@@H]2C)nc1	629136514	347335085	/nfs/dbraw/zinc/33/50/85/347335085.db2.gz	BCIPIMASHXWHIG-UWVGGRQHSA-N	0	0	193.315	3.138	10	0		AGAERN
C[C@H]1C[C@@H]1CSc1ccc(O)cc1	629143173	347335110	/nfs/dbraw/zinc/33/51/10/347335110.db2.gz	BBNPVJUQHFQQDY-DTWKUNHWSA-N	0	0	194.299	3.140	10	0		AGAERN
Cc1ccc(SC[C@H]2C[C@H]2C)nc1	629136513	347335168	/nfs/dbraw/zinc/33/51/68/347335168.db2.gz	BCIPIMASHXWHIG-NXEZZACHSA-N	0	0	193.315	3.138	10	0		AGAERN
C[C@@H]1C[C@H]1CSc1ccccc1O	629150401	347335197	/nfs/dbraw/zinc/33/51/97/347335197.db2.gz	QGMZPBXJEKIQLW-BDAKNGLRSA-N	0	0	194.299	3.140	10	0		AGAERN
Cc1ccc(SC[C@@H]2C[C@H]2C)nc1	629136516	347335204	/nfs/dbraw/zinc/33/52/04/347335204.db2.gz	BCIPIMASHXWHIG-ZJUUUORDSA-N	0	0	193.315	3.138	10	0		AGAERN
C[C@@H]1C[C@H]1CSc1ccc(O)cc1	629143170	347335209	/nfs/dbraw/zinc/33/52/09/347335209.db2.gz	BBNPVJUQHFQQDY-BDAKNGLRSA-N	0	0	194.299	3.140	10	0		AGAERN
C[C@H]1C[C@@H]1CSc1cccs1	629141053	347335333	/nfs/dbraw/zinc/33/53/33/347335333.db2.gz	UBIOQFLIGKQVTO-JGVFFNPUSA-N	0	0	184.329	3.496	10	0		AGAERN
C[C@H]1C[C@H]1CSc1ccc(O)cc1	629143174	347335407	/nfs/dbraw/zinc/33/54/07/347335407.db2.gz	BBNPVJUQHFQQDY-IUCAKERBSA-N	0	0	194.299	3.140	10	0		AGAERN
C[C@@H]1C[C@@H]1CSc1ccccc1O	629150406	347335421	/nfs/dbraw/zinc/33/54/21/347335421.db2.gz	QGMZPBXJEKIQLW-RKDXNWHRSA-N	0	0	194.299	3.140	10	0		AGAERN
C[C@H]1C[C@H]1CSc1ccccc1O	629150405	347335430	/nfs/dbraw/zinc/33/54/30/347335430.db2.gz	QGMZPBXJEKIQLW-IUCAKERBSA-N	0	0	194.299	3.140	10	0		AGAERN
Cc1ccc(SC[C@H]2C[C@@H]2C)nc1	629136515	347335448	/nfs/dbraw/zinc/33/54/48/347335448.db2.gz	BCIPIMASHXWHIG-VHSXEESVSA-N	0	0	193.315	3.138	10	0		AGAERN
Cc1occc1SC[C@@H]1C[C@@H]1C	629168826	347335804	/nfs/dbraw/zinc/33/58/04/347335804.db2.gz	GQTXXNKRGMIRNC-CBAPKCEASA-N	0	0	182.288	3.336	10	0		AGAERN
Cc1occc1SC[C@@H]1C[C@H]1C	629168822	347335877	/nfs/dbraw/zinc/33/58/77/347335877.db2.gz	GQTXXNKRGMIRNC-APPZFPTMSA-N	0	0	182.288	3.336	10	0		AGAERN
Cc1occc1SC[C@H]1C[C@H]1C	629168828	347336081	/nfs/dbraw/zinc/33/60/81/347336081.db2.gz	GQTXXNKRGMIRNC-VXNVDRBHSA-N	0	0	182.288	3.336	10	0		AGAERN
Cc1cnccc1SC[C@H]1C[C@H]1C	629181463	347336509	/nfs/dbraw/zinc/33/65/09/347336509.db2.gz	YZMPGMXVZZHTPR-PSASIEDQSA-N	0	0	193.315	3.138	10	0		AGAERN
Cc1cnccc1SC[C@@H]1C[C@H]1C	629181465	347336580	/nfs/dbraw/zinc/33/65/80/347336580.db2.gz	YZMPGMXVZZHTPR-SCZZXKLOSA-N	0	0	193.315	3.138	10	0		AGAERN
C[C@H]1C[C@@H]1CSc1cccc(O)c1	629174895	347336581	/nfs/dbraw/zinc/33/65/81/347336581.db2.gz	ZJIHENDSCJCTKD-DTWKUNHWSA-N	0	0	194.299	3.140	10	0		AGAERN
CC1(C)CC(CSc2ncco2)C1	629178547	347336592	/nfs/dbraw/zinc/33/65/92/347336592.db2.gz	YFWKQLFAEVHORN-UHFFFAOYSA-N	0	0	197.303	3.203	10	0		AGAERN
C[C@H]1C[C@H]1CNc1c(F)cccc1F	629180899	347336638	/nfs/dbraw/zinc/33/66/38/347336638.db2.gz	LPPJZRZWXNRNHH-YUMQZZPRSA-N	0	0	197.228	3.033	10	0		AGAERN
C[C@@H]1C[C@@H]1CNc1c(F)cccc1F	629180674	347336664	/nfs/dbraw/zinc/33/66/64/347336664.db2.gz	LPPJZRZWXNRNHH-HTQZYQBOSA-N	0	0	197.228	3.033	10	0		AGAERN
C[C@@H]1C[C@@H]1CSc1cccc(O)c1	629174899	347336673	/nfs/dbraw/zinc/33/66/73/347336673.db2.gz	ZJIHENDSCJCTKD-RKDXNWHRSA-N	0	0	194.299	3.140	10	0		AGAERN
C[C@H]1C[C@@H]1CNc1c(F)cccc1F	629180675	347336731	/nfs/dbraw/zinc/33/67/31/347336731.db2.gz	LPPJZRZWXNRNHH-JGVFFNPUSA-N	0	0	197.228	3.033	10	0		AGAERN
C[C@H]1C[C@H]1CSc1cccc(O)c1	629174897	347336733	/nfs/dbraw/zinc/33/67/33/347336733.db2.gz	ZJIHENDSCJCTKD-IUCAKERBSA-N	0	0	194.299	3.140	10	0		AGAERN
C[C@@H]1C[C@H]1CSc1cccc(O)c1	629174894	347336738	/nfs/dbraw/zinc/33/67/38/347336738.db2.gz	ZJIHENDSCJCTKD-BDAKNGLRSA-N	0	0	194.299	3.140	10	0		AGAERN
C[C@@H]1C[C@H]1CNc1c(F)cccc1F	629180676	347336762	/nfs/dbraw/zinc/33/67/62/347336762.db2.gz	LPPJZRZWXNRNHH-SFYZADRCSA-N	0	0	197.228	3.033	10	0		AGAERN
Cc1cnccc1SC[C@H]1C[C@@H]1C	629181466	347336781	/nfs/dbraw/zinc/33/67/81/347336781.db2.gz	YZMPGMXVZZHTPR-WCBMZHEXSA-N	0	0	193.315	3.138	10	0		AGAERN
Cc1cccnc1SC[C@@H]1C[C@@H]1C	629181726	347337154	/nfs/dbraw/zinc/33/71/54/347337154.db2.gz	YNBSNDGWWWJGQC-UWVGGRQHSA-N	0	0	193.315	3.138	10	0		AGAERN
Cc1cccnc1SC[C@@H]1C[C@H]1C	629181730	347337201	/nfs/dbraw/zinc/33/72/01/347337201.db2.gz	YNBSNDGWWWJGQC-ZJUUUORDSA-N	0	0	193.315	3.138	10	0		AGAERN
C[C@H]1C[C@@H]1CNc1cccc(F)c1F	629183257	347337249	/nfs/dbraw/zinc/33/72/49/347337249.db2.gz	QSUXROFANLNAQZ-JGVFFNPUSA-N	0	0	197.228	3.033	10	0		AGAERN
Cc1cccnc1SC[C@H]1C[C@@H]1C	629181728	347337286	/nfs/dbraw/zinc/33/72/86/347337286.db2.gz	YNBSNDGWWWJGQC-VHSXEESVSA-N	0	0	193.315	3.138	10	0		AGAERN
Cc1cccnc1SC[C@H]1C[C@H]1C	629181725	347337341	/nfs/dbraw/zinc/33/73/41/347337341.db2.gz	YNBSNDGWWWJGQC-NXEZZACHSA-N	0	0	193.315	3.138	10	0		AGAERN
C[C@H]1C[C@H]1CNc1cccc(F)c1F	629183259	347337378	/nfs/dbraw/zinc/33/73/78/347337378.db2.gz	QSUXROFANLNAQZ-YUMQZZPRSA-N	0	0	197.228	3.033	10	0		AGAERN
C[C@@H]1C[C@@H]1CNc1cccc(F)c1F	629183256	347337387	/nfs/dbraw/zinc/33/73/87/347337387.db2.gz	QSUXROFANLNAQZ-HTQZYQBOSA-N	0	0	197.228	3.033	10	0		AGAERN
Cc1cnccc1SC[C@@H]1C[C@@H]1C	629181479	347337470	/nfs/dbraw/zinc/33/74/70/347337470.db2.gz	YZMPGMXVZZHTPR-WPRPVWTQSA-N	0	0	193.315	3.138	10	0		AGAERN
C[C@@H]1C[C@H]1CNc1cccc(F)c1F	629183258	347337472	/nfs/dbraw/zinc/33/74/72/347337472.db2.gz	QSUXROFANLNAQZ-SFYZADRCSA-N	0	0	197.228	3.033	10	0		AGAERN
CC[C@@H](C)c1cccc(NC)c1	629203611	347337829	/nfs/dbraw/zinc/33/78/29/347337829.db2.gz	CCKNGGIMJVUGQY-SECBINFHSA-N	0	0	163.264	3.242	10	0		AGAERN
CC[C@H](C)c1cccc(NC)c1	629203614	347337886	/nfs/dbraw/zinc/33/78/86/347337886.db2.gz	CCKNGGIMJVUGQY-VIFPVBQESA-N	0	0	163.264	3.242	10	0		AGAERN
CC(C)=CCCn1ccnc1C1CC1	629258827	347338642	/nfs/dbraw/zinc/33/86/42/347338642.db2.gz	DSRMEJTYFNCUTL-UHFFFAOYSA-N	0	0	190.290	3.117	10	0		AGAERN
CCC[C@H](C)CCCn1cccn1	629358830	347339219	/nfs/dbraw/zinc/33/92/19/347339219.db2.gz	VAVNMAITYQVVHC-NSHDSACASA-N	0	0	180.295	3.100	10	0		AGAERN
CCC[C@@H](C)CCCn1cccn1	629358826	347339305	/nfs/dbraw/zinc/33/93/05/347339305.db2.gz	VAVNMAITYQVVHC-LLVKDONJSA-N	0	0	180.295	3.100	10	0		AGAERN
CC[C@H](C)n1cc(-c2ccco2)cn1	629691967	347356365	/nfs/dbraw/zinc/35/63/65/347356365.db2.gz	DUCPAZSRKDBMAK-VIFPVBQESA-N	0	0	190.246	3.114	10	0		AGAERN
CC[C@@H](C)n1cc(-c2ccco2)cn1	629691966	347356436	/nfs/dbraw/zinc/35/64/36/347356436.db2.gz	DUCPAZSRKDBMAK-SECBINFHSA-N	0	0	190.246	3.114	10	0		AGAERN
CCCc1ccccc1-c1c[nH]cn1	629764432	347357685	/nfs/dbraw/zinc/35/76/85/347357685.db2.gz	CGVIZHPEZWXFHN-UHFFFAOYSA-N	0	0	186.258	3.029	10	0		AGAERN
CCCc1ccccc1-c1ncc[nH]1	629765189	347357727	/nfs/dbraw/zinc/35/77/27/347357727.db2.gz	YYHGVNCSAUJYCR-UHFFFAOYSA-N	0	0	186.258	3.029	10	0		AGAERN
CCc1csc(-c2cocc2C)n1	629738295	347357775	/nfs/dbraw/zinc/35/77/75/347357775.db2.gz	LRXICUWWLSUSOV-UHFFFAOYSA-N	0	0	193.271	3.274	10	0		AGAERN
Cc1cocc1-c1nc(C)c(C)s1	629738834	347357887	/nfs/dbraw/zinc/35/78/87/347357887.db2.gz	RCPQJYSXKSXYQB-UHFFFAOYSA-N	0	0	193.271	3.328	10	0		AGAERN
Cc1ccc(C)c(-c2nc(C)co2)c1	630051454	347359239	/nfs/dbraw/zinc/35/92/39/347359239.db2.gz	MUEHOOALMFRHIZ-UHFFFAOYSA-N	0	0	187.242	3.267	10	0		AGAERN
CCCCc1csc([C@@H](C)OC)n1	630386705	347361778	/nfs/dbraw/zinc/36/17/78/347361778.db2.gz	UWVDDNDAEVFGLM-MRVPVSSYSA-N	0	0	199.319	3.193	10	0		AGAERN
CCCCc1csc([C@H](C)OC)n1	630386709	347361950	/nfs/dbraw/zinc/36/19/50/347361950.db2.gz	UWVDDNDAEVFGLM-QMMMGPOBSA-N	0	0	199.319	3.193	10	0		AGAERN
Cc1cn(CC2=CCCCC2)c(C)n1	631012818	347373699	/nfs/dbraw/zinc/37/36/99/347373699.db2.gz	OYPDIBMZLNSHNY-UHFFFAOYSA-N	0	0	190.290	3.000	10	0		AGAERN
CCCc1nccn1C1CC(C)(C)C1	631011789	347373938	/nfs/dbraw/zinc/37/39/38/347373938.db2.gz	DGYSUGQMXZUEBB-UHFFFAOYSA-N	0	0	192.306	3.197	10	0		AGAERN
CCC(C)(C)CCn1cc(C)nc1C	631013297	347374604	/nfs/dbraw/zinc/37/46/04/347374604.db2.gz	VENKCVIMTHLQHP-UHFFFAOYSA-N	0	0	194.322	3.326	10	0		AGAERN
Cc1coc(SC2CC(C)(C)C2)n1	631015969	347375337	/nfs/dbraw/zinc/37/53/37/347375337.db2.gz	ADRAIHQVSYBCEX-UHFFFAOYSA-N	0	0	197.303	3.264	10	0		AGAERN
CC1(C)CC(n2ccnc2C2CC2)C1	631020350	347375613	/nfs/dbraw/zinc/37/56/13/347375613.db2.gz	DITTUUITTQLRBV-UHFFFAOYSA-N	0	0	190.290	3.122	10	0		AGAERN
CCCCC(=O)NCCC(C)(C)CC	633967688	347406195	/nfs/dbraw/zinc/40/61/95/347406195.db2.gz	UAIPQOYQKOAMSM-UHFFFAOYSA-N	0	0	199.338	3.119	10	0		AGAERN
CCCCCC(=O)N(C)[C@H](C)CCC	642280204	347592679	/nfs/dbraw/zinc/59/26/79/347592679.db2.gz	CWHZAEVFHWYTHP-LLVKDONJSA-N	0	0	199.338	3.214	10	0		AGAERN
CCCCCC(=O)N(C)[C@@H](C)CCC	642280205	347592626	/nfs/dbraw/zinc/59/26/26/347592626.db2.gz	CWHZAEVFHWYTHP-NSHDSACASA-N	0	0	199.338	3.214	10	0		AGAERN
CC(C)=CCOc1ccc(F)c(F)c1	642608100	347596037	/nfs/dbraw/zinc/59/60/37/347596037.db2.gz	DBZFTAYEBVVKJJ-UHFFFAOYSA-N	0	0	198.212	3.310	10	0		AGAERN
c1ccc(Sc2ccccn2)cc1	331984	351275416	/nfs/dbraw/zinc/27/54/16/351275416.db2.gz	DWBYVHWWZMMIOT-UHFFFAOYSA-N	0	0	187.267	3.233	10	0		AGAERN
CC(C)CCCc1ccncc1	967175	351282928	/nfs/dbraw/zinc/28/29/28/351282928.db2.gz	ZPLJAHIMDRYVIX-UHFFFAOYSA-N	0	0	163.264	3.060	10	0		AGAERN
C[C@@H]1SC(=O)Nc2ccccc21	977966	351283396	/nfs/dbraw/zinc/28/33/96/351283396.db2.gz	MDXNDBMXTAJDKA-LURJTMIESA-N	0	0	179.244	3.026	10	0		AGAERN
C[C@@H]1CC[C@@H](C(C)(C)C)C(=O)C1	1577456	351288155	/nfs/dbraw/zinc/28/81/55/351288155.db2.gz	UDBHAWYOTMVZEE-RKDXNWHRSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@@H]1CC[C@H](C(C)(C)C)C(=O)C1	1577458	351288452	/nfs/dbraw/zinc/28/84/52/351288452.db2.gz	UDBHAWYOTMVZEE-BDAKNGLRSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@@H](c1ccccc1)c1ccc(N)cc1	1595307	351288820	/nfs/dbraw/zinc/28/88/20/351288820.db2.gz	VZJQSNPTVCQCLZ-NSHDSACASA-N	0	0	197.281	3.421	10	0		AGAERN
CC(C)CCC1(O)CCCCC1	1695188	351295089	/nfs/dbraw/zinc/29/50/89/351295089.db2.gz	UASJRAQYYSOYQW-UHFFFAOYSA-N	0	0	170.296	3.118	10	0		AGAERN
C[C@@H]1CCCC[C@]1(O)c1ccccc1	1695198	351295465	/nfs/dbraw/zinc/29/54/65/351295465.db2.gz	SMWRMTHIQDFNPL-DGCLKSJQSA-N	0	0	190.286	3.084	10	0		AGAERN
C[C@@H]1CCCC[C@@]1(O)c1ccccc1	1695196	351295473	/nfs/dbraw/zinc/29/54/73/351295473.db2.gz	SMWRMTHIQDFNPL-YPMHNXCESA-N	0	0	190.286	3.084	10	0		AGAERN
ONc1ccc2c(c1)Cc1ccccc1-2	2041367	351303111	/nfs/dbraw/zinc/30/31/11/351303111.db2.gz	JJCLXJPUTJMRTM-UHFFFAOYSA-N	0	0	197.237	3.059	10	0		AGAERN
C[C@@H]1CCc2c([nH]c3ccccc23)C1	2042875	351303220	/nfs/dbraw/zinc/30/32/20/351303220.db2.gz	VWYGNOPLZQAFPZ-SECBINFHSA-N	0	0	185.270	3.293	10	0		AGAERN
c1ccc([C@H]2CCCSC2)cc1	2473899	351307300	/nfs/dbraw/zinc/30/73/00/351307300.db2.gz	ISEXWPHXDCRQBE-NSHDSACASA-N	0	0	178.300	3.297	10	0		AGAERN
CC[C@@H](C)SC(=O)CC(C)C	2510281	351308241	/nfs/dbraw/zinc/30/82/41/351308241.db2.gz	MQAVHZCNCJTJJP-MRVPVSSYSA-N	0	0	174.309	3.091	10	0		AGAERN
CC(C)CCOCCc1ccccc1	2534689	351310402	/nfs/dbraw/zinc/31/04/02/351310402.db2.gz	BHQBQWOZHYUVTL-UHFFFAOYSA-N	0	0	192.302	3.292	10	0	endogenous,in-man	AGAERN
CCSc1c[nH]c2ccccc12	3640663	351318212	/nfs/dbraw/zinc/31/82/12/351318212.db2.gz	GVTSOZQVZDCGAQ-UHFFFAOYSA-N	0	0	177.272	3.280	10	0		AGAERN
CC(C)CCc1nc2ccccc2[nH]1	5114420	351337355	/nfs/dbraw/zinc/33/73/55/351337355.db2.gz	WZJCXUYUKDHVTK-UHFFFAOYSA-N	0	0	188.274	3.152	10	0		AGAERN
CC(C)=CCCC1=CCOCC1	5158698	351339820	/nfs/dbraw/zinc/33/98/20/351339820.db2.gz	MYKYXXPZMRLKPN-UHFFFAOYSA-N	0	0	166.264	3.080	10	0		AGAERN
c1ccc(NCNc2ccccc2)cc1	5162456	351339880	/nfs/dbraw/zinc/33/98/80/351339880.db2.gz	OHQOKJPHNPUMLN-UHFFFAOYSA-N	0	0	198.269	3.168	10	0		AGAERN
CCO[C@H]1C[C@H](C)CC(C)(C)C1	5861404	351347604	/nfs/dbraw/zinc/34/76/04/351347604.db2.gz	JVBNHJDWWBSWLE-UWVGGRQHSA-N	0	0	170.296	3.238	10	0		AGAERN
CCO[C@H]1C[C@@H](C)CC(C)(C)C1	5861406	351347630	/nfs/dbraw/zinc/34/76/30/351347630.db2.gz	JVBNHJDWWBSWLE-ZJUUUORDSA-N	0	0	170.296	3.238	10	0		AGAERN
c1ccc2c3c(oc2c1)CCCC3	6117827	351349826	/nfs/dbraw/zinc/34/98/26/351349826.db2.gz	LREHXNMBUBVFHA-UHFFFAOYSA-N	0	0	172.227	3.312	10	0		AGAERN
ONc1ccccc1-c1ccccc1	6116775	351349967	/nfs/dbraw/zinc/34/99/67/351349967.db2.gz	HVHPNXLNQJYDMK-UHFFFAOYSA-N	0	0	185.226	3.155	10	0		AGAERN
c1ccc2cc(-c3c[nH]cn3)ccc2c1	13674488	351370852	/nfs/dbraw/zinc/37/08/52/351370852.db2.gz	CTUKWPHHWRYGEH-UHFFFAOYSA-N	0	0	194.237	3.230	10	0	in-vivo	AGAERN
c1ccc2cc(-n3ccnc3)ccc2c1	13674480	351371124	/nfs/dbraw/zinc/37/11/24/351371124.db2.gz	LHAAPZJTEBPKBJ-UHFFFAOYSA-N	0	0	194.237	3.026	10	0	in-vivo	AGAERN
CCCCCC[C@@H]1C[C@H]1CC(=O)OC	14439090	351373353	/nfs/dbraw/zinc/37/33/53/351373353.db2.gz	VSKWTVATUAOXNT-MNOVXSKESA-N	0	0	198.306	3.156	10	0		AGAERN
CCCCCC[C@H]1C[C@H]1CC(=O)OC	14439092	351373606	/nfs/dbraw/zinc/37/36/06/351373606.db2.gz	VSKWTVATUAOXNT-QWRGUYRKSA-N	0	0	198.306	3.156	10	0		AGAERN
c1ccc2c(NC3CC3)cccc2c1	16697676	351379819	/nfs/dbraw/zinc/37/98/19/351379819.db2.gz	BUTMTLWHIJEHGC-UHFFFAOYSA-N	0	0	183.254	3.414	10	0		AGAERN
Oc1ccccc1-c1ccc(F)cc1	16948309	351381524	/nfs/dbraw/zinc/38/15/24/351381524.db2.gz	CHNMUFMIXXQSOX-UHFFFAOYSA-N	0	0	188.201	3.198	10	0		AGAERN
O=Cc1ccsc1-c1ccccc1	20032328	351399093	/nfs/dbraw/zinc/39/90/93/351399093.db2.gz	XRPQDWNLPCJCMI-UHFFFAOYSA-N	0	0	188.251	3.228	10	0		AGAERN
CC(C)CSc1ccc(N)cc1	20484026	351405974	/nfs/dbraw/zinc/40/59/74/351405974.db2.gz	QYEBJLBCPCQXQF-UHFFFAOYSA-N	0	0	181.304	3.017	10	0		AGAERN
Cc1csc(NC2CCCCC2)n1	21514525	351408398	/nfs/dbraw/zinc/40/83/98/351408398.db2.gz	YJQYCDVSVJMIGR-UHFFFAOYSA-N	0	0	196.319	3.196	10	0		AGAERN
C[C@@H]1CCC[C@@H](c2ccccc2)C1=O	21991017	351409931	/nfs/dbraw/zinc/40/99/31/351409931.db2.gz	LAFLVXLMEIBOGU-PWSUYJOCSA-N	0	0	188.270	3.159	10	0		AGAERN
CCO[C@H]1C=CC=Cc2ccccc21	21995321	351409942	/nfs/dbraw/zinc/40/99/42/351409942.db2.gz	DUZMKNIYALAIRZ-ZDUSSCGKSA-N	0	0	186.254	3.347	10	0		AGAERN
c1csc(NCC2CCCCC2)n1	22007617	351410727	/nfs/dbraw/zinc/41/07/27/351410727.db2.gz	WHHNLMUJCMLDKT-UHFFFAOYSA-N	0	0	196.319	3.135	10	0		AGAERN
c1ccc(N2CCc3ccccc32)cc1	21999297	351410896	/nfs/dbraw/zinc/41/08/96/351410896.db2.gz	GDLZIYHXVZRNOT-UHFFFAOYSA-N	0	0	195.265	3.381	10	0		AGAERN
c1ccc2c3c(ccc2c1)CCCN3	22170238	351412799	/nfs/dbraw/zinc/41/27/99/351412799.db2.gz	FXYNGXZHZGJYPD-UHFFFAOYSA-N	0	0	183.254	3.198	10	0		AGAERN
c1ccc([C@@H]2OCc3ccccc32)cc1	27232230	351420379	/nfs/dbraw/zinc/42/03/79/351420379.db2.gz	WGDHRCGWHXMLBM-AWEZNQCLSA-N	0	0	196.249	3.306	10	0		AGAERN
c1ccc([C@H]2OCc3ccccc32)cc1	27232233	351421302	/nfs/dbraw/zinc/42/13/02/351421302.db2.gz	WGDHRCGWHXMLBM-CQSZACIVSA-N	0	0	196.249	3.306	10	0		AGAERN
CC(C)C[C@H](O)c1ccc(Cl)cc1	32009703	351425425	/nfs/dbraw/zinc/42/54/25/351425425.db2.gz	AFUZQVTZYDULTC-NSHDSACASA-N	0	0	198.693	3.420	10	0		AGAERN
CC(C)C[C@@H](O)c1ccc(Cl)cc1	32009702	351425541	/nfs/dbraw/zinc/42/55/41/351425541.db2.gz	AFUZQVTZYDULTC-LLVKDONJSA-N	0	0	198.693	3.420	10	0		AGAERN
CC(C)=CCC[C@@H](C)[C@@H](O)C(C)C	33506089	351430937	/nfs/dbraw/zinc/43/09/37/351430937.db2.gz	QVHCKTZIQCDTFT-NEPJUHHUSA-N	0	0	184.323	3.386	10	0		AGAERN
CC(C)=CCC[C@H](C)[C@@H](O)C(C)C	33506087	351430966	/nfs/dbraw/zinc/43/09/66/351430966.db2.gz	QVHCKTZIQCDTFT-RYUDHWBXSA-N	0	0	184.323	3.386	10	0		AGAERN
CC(C)=CCC[C@H](C)[C@H](O)C(C)C	33506086	351430968	/nfs/dbraw/zinc/43/09/68/351430968.db2.gz	QVHCKTZIQCDTFT-NWDGAFQWSA-N	0	0	184.323	3.386	10	0		AGAERN
O=Nc1ccc(O)c(C2CCCC2)c1	33610824	351431098	/nfs/dbraw/zinc/43/10/98/351431098.db2.gz	CBCWWMWAAXQAPD-UHFFFAOYSA-N	0	0	191.230	3.448	10	0		AGAERN
CC[C@@H](C)COCCc1ccccc1	33637372	351431539	/nfs/dbraw/zinc/43/15/39/351431539.db2.gz	SEICEBVLIVBNTL-GFCCVEGCSA-N	0	0	192.302	3.292	10	0		AGAERN
CC[C@@H](C)SCCc1ccncc1	33899942	351433731	/nfs/dbraw/zinc/43/37/31/351433731.db2.gz	ZUILQCLQZCJPRW-SNVBAGLBSA-N	0	0	195.331	3.156	10	0		AGAERN
O=Cc1ccc2c(c1)oc1ccccc12	34067279	351434736	/nfs/dbraw/zinc/43/47/36/351434736.db2.gz	KNGNDRNAPDAOJU-UHFFFAOYSA-N	0	0	196.205	3.399	10	0		AGAERN
c1ccc2c(c1)ncc1sccc12	34109211	351435092	/nfs/dbraw/zinc/43/50/92/351435092.db2.gz	PKEDYUMCHWRMGV-UHFFFAOYSA-N	0	0	185.251	3.450	10	0		AGAERN
c1ccc(OCc2cccs2)cc1	34223969	351436622	/nfs/dbraw/zinc/43/66/22/351436622.db2.gz	KQFXRFWKNDKEPV-UHFFFAOYSA-N	0	0	190.267	3.327	10	0		AGAERN
c1ccc2c(c1)ccc1c[nH]cc12	34185360	351437107	/nfs/dbraw/zinc/43/71/07/351437107.db2.gz	WLXYHLHNIRJAIG-UHFFFAOYSA-N	0	0	167.211	3.321	10	0		AGAERN
CC(C)=CCc1cccc2c1NCC2	34212912	351437143	/nfs/dbraw/zinc/43/71/43/351437143.db2.gz	POTGUJHKZRBMLW-UHFFFAOYSA-N	0	0	187.286	3.163	10	0		AGAERN
c1ccc(-c2c[nH]c3ccccc23)nc1	34275764	351437699	/nfs/dbraw/zinc/43/76/99/351437699.db2.gz	GKLFEIVEQHPWJY-UHFFFAOYSA-N	0	0	194.237	3.230	10	0		AGAERN
C[C@@H]1CCCC[C@@]1(O)c1cccs1	34335760	351438893	/nfs/dbraw/zinc/43/88/93/351438893.db2.gz	CMFDNSKEDGNBAL-KOLCDFICSA-N	0	0	196.315	3.146	10	0		AGAERN
C[C@@H]1CCCC[C@]1(O)c1cccs1	34335756	351439077	/nfs/dbraw/zinc/43/90/77/351439077.db2.gz	CMFDNSKEDGNBAL-MWLCHTKSSA-N	0	0	196.315	3.146	10	0		AGAERN
COc1ccc2c(c1)C(C)=CCC2	34449235	351440413	/nfs/dbraw/zinc/44/04/13/351440413.db2.gz	XTNQDGNLXDBXQI-UHFFFAOYSA-N	0	0	174.243	3.045	10	0		AGAERN
Cc1ccccc1-c1cc(Cl)on1	34450348	351440619	/nfs/dbraw/zinc/44/06/19/351440619.db2.gz	ZBBHHRZRHNLBFN-UHFFFAOYSA-N	0	0	193.633	3.303	10	0		AGAERN
Cc1cnc(C(=O)CCC(C)C)s1	34568533	351442353	/nfs/dbraw/zinc/44/23/53/351442353.db2.gz	QRNLULLPHPFXNP-UHFFFAOYSA-N	0	0	197.303	3.070	10	0		AGAERN
c1ccc(N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1	34568122	351442660	/nfs/dbraw/zinc/44/26/60/351442660.db2.gz	SFCLMYIWOIJNAD-DMDPSCGWSA-N	0	0	187.286	3.287	10	0		AGAERN
CCC1(C(=O)OC(C)C)CCCCC1	34577047	351443108	/nfs/dbraw/zinc/44/31/08/351443108.db2.gz	HVEDKISOIOYVRT-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
CC(C)[C@H](C)C(=O)c1ccccc1	34576473	351443478	/nfs/dbraw/zinc/44/34/78/351443478.db2.gz	PTOYWCASHUHLIV-JTQLQIEISA-N	0	0	176.259	3.161	10	0		AGAERN
C[C@@H](c1ccc(O)cc1)C(F)(F)F	34623810	351444297	/nfs/dbraw/zinc/44/42/97/351444297.db2.gz	OCFXWDMWCKPFGO-LURJTMIESA-N	0	0	190.164	3.058	10	0		AGAERN
C[C@@H]1C[C@H]1C(=O)c1ccc(Cl)cc1	34976648	351446598	/nfs/dbraw/zinc/44/65/98/351446598.db2.gz	TZEYQBQVXOCALS-GMSGAONNSA-N	0	0	194.661	3.179	10	0		AGAERN
C[C@@H]1C[C@@H]1C(=O)c1ccc(Cl)cc1	34976644	351446628	/nfs/dbraw/zinc/44/66/28/351446628.db2.gz	TZEYQBQVXOCALS-XCBNKYQSSA-N	0	0	194.661	3.179	10	0		AGAERN
CC[C@@H](C)SCC(=O)C(C)(C)C	35182645	351447661	/nfs/dbraw/zinc/44/76/61/351447661.db2.gz	DSTXVYCMXGRHFA-MRVPVSSYSA-N	0	0	188.336	3.133	10	0		AGAERN
CC[C@@H](C)S[C@@H]1CCCCC1=O	35182651	351448002	/nfs/dbraw/zinc/44/80/02/351448002.db2.gz	CTRCYOPHZZHDTQ-PSASIEDQSA-N	0	0	186.320	3.030	10	0		AGAERN
CC[C@@H](C)S[C@H]1CCCCC1=O	35182653	351448391	/nfs/dbraw/zinc/44/83/91/351448391.db2.gz	CTRCYOPHZZHDTQ-SCZZXKLOSA-N	0	0	186.320	3.030	10	0		AGAERN
C[C@@H]1CCC[C@@H](n2cccc2)C1	35651156	351451554	/nfs/dbraw/zinc/45/15/54/351451554.db2.gz	HUJWICCTCPNLIP-GHMZBOCLSA-N	0	0	163.264	3.239	10	0		AGAERN
C[C@@H]1CCC[C@H](n2cccc2)C1	35651154	351452278	/nfs/dbraw/zinc/45/22/78/351452278.db2.gz	HUJWICCTCPNLIP-MNOVXSKESA-N	0	0	163.264	3.239	10	0		AGAERN
CC(C)CC(=O)c1ccccc1F	36179708	351456076	/nfs/dbraw/zinc/45/60/76/351456076.db2.gz	GQMNPRLZLBZEEG-UHFFFAOYSA-N	0	0	180.222	3.055	10	0		AGAERN
Oc1ccccc1OC1CCCCC1	36896864	351460056	/nfs/dbraw/zinc/46/00/56/351460056.db2.gz	IBOBBRLNLVKNME-UHFFFAOYSA-N	0	0	192.258	3.104	10	0		AGAERN
CC(C)=CCOc1cccc(O)c1C	36896649	351460261	/nfs/dbraw/zinc/46/02/61/351460261.db2.gz	PLYVHOPPAVPTEM-UHFFFAOYSA-N	0	0	192.258	3.046	10	0		AGAERN
CC[C@@H](C)C(=O)c1cc(F)ccc1F	36940252	351461144	/nfs/dbraw/zinc/46/11/44/351461144.db2.gz	SHALVMMHBOJVJR-SSDOTTSWSA-N	0	0	198.212	3.194	10	0		AGAERN
CC[C@@H](C)C(=O)c1ccc(F)cc1	36940561	351461240	/nfs/dbraw/zinc/46/12/40/351461240.db2.gz	ZXOUVAPVBSWUDF-MRVPVSSYSA-N	0	0	180.222	3.055	10	0		AGAERN
CC[C@@H](C)C(=O)c1ccc(C)s1	36942683	351461522	/nfs/dbraw/zinc/46/15/22/351461522.db2.gz	QWQUWGOMFKENHK-SSDOTTSWSA-N	0	0	182.288	3.285	10	0		AGAERN
S=c1[nH]ccn1C1CCCCCC1	36963099	351462080	/nfs/dbraw/zinc/46/20/80/351462080.db2.gz	IQMCVWACXXFQDA-UHFFFAOYSA-N	0	0	196.319	3.441	10	0		AGAERN
CC[C@@H](C)CNc1cccnc1Cl	36982516	351462616	/nfs/dbraw/zinc/46/26/16/351462616.db2.gz	CUXPCQGYHBSBOB-MRVPVSSYSA-N	0	0	198.697	3.193	10	0		AGAERN
CC(C)C[C@@H](C)Nc1ccc(O)cc1	37132049	351463387	/nfs/dbraw/zinc/46/33/87/351463387.db2.gz	NZUWJMQBHGQBHT-SNVBAGLBSA-N	0	0	193.290	3.239	10	0		AGAERN
CC(C)C[C@H](C)Nc1ccc(O)cc1	37132051	351463394	/nfs/dbraw/zinc/46/33/94/351463394.db2.gz	NZUWJMQBHGQBHT-JTQLQIEISA-N	0	0	193.290	3.239	10	0		AGAERN
CC[C@@H](C)Nc1ccc(C)c(O)c1C	37130482	351463574	/nfs/dbraw/zinc/46/35/74/351463574.db2.gz	ILNXEFUSQGHWSZ-SECBINFHSA-N	0	0	193.290	3.219	10	0		AGAERN
CC(C)=CCSc1ccc(N)cc1	37182578	351464628	/nfs/dbraw/zinc/46/46/28/351464628.db2.gz	AGPQEENYPCREGT-UHFFFAOYSA-N	0	0	193.315	3.327	10	0		AGAERN
C[C@@H]1CCC[C@H](n2cc[nH]c2=S)C1	37256299	351465312	/nfs/dbraw/zinc/46/53/12/351465312.db2.gz	CHCTVGPQOSWNGZ-BDAKNGLRSA-N	0	0	196.319	3.297	10	0		AGAERN
C[C@@H]1CCC[C@@H](n2cc[nH]c2=S)C1	37256303	351465507	/nfs/dbraw/zinc/46/55/07/351465507.db2.gz	CHCTVGPQOSWNGZ-RKDXNWHRSA-N	0	0	196.319	3.297	10	0		AGAERN
CC(C)C[C@@H](C)Nc1ccccc1N	37264606	351465591	/nfs/dbraw/zinc/46/55/91/351465591.db2.gz	MJWUSJMHLQXHHR-SNVBAGLBSA-N	0	0	192.306	3.115	10	0		AGAERN
S=c1[nH]ccn1CC1CCCCC1	37259893	351465749	/nfs/dbraw/zinc/46/57/49/351465749.db2.gz	VCPOCLDVLDFVAH-UHFFFAOYSA-N	0	0	196.319	3.126	10	0		AGAERN
CC[C@@H](C)Nc1ccc(OC)c(F)c1	37290282	351465776	/nfs/dbraw/zinc/46/57/76/351465776.db2.gz	UQEMPXDBADWXIN-MRVPVSSYSA-N	0	0	197.253	3.045	10	0		AGAERN
C[C@@H]1CCC[C@](O)(C2CCCC2)C1	37375456	351466672	/nfs/dbraw/zinc/46/66/72/351466672.db2.gz	RTOKFRBWUNYIBT-ZYHUDNBSSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@@](O)(c1ccccc1)C1CCCC1	37379180	351466774	/nfs/dbraw/zinc/46/67/74/351466774.db2.gz	VBSQXECZYIRHOS-CYBMUJFWSA-N	0	0	190.286	3.084	10	0		AGAERN
CC(C)C[C@](C)(O)c1cccc(F)c1	37379474	351466783	/nfs/dbraw/zinc/46/67/83/351466783.db2.gz	OHXCTYIOPIVWRA-LBPRGKRZSA-N	0	0	196.265	3.079	10	0		AGAERN
CC(C)C[C@@](C)(O)c1cccc(F)c1	37379476	351466794	/nfs/dbraw/zinc/46/67/94/351466794.db2.gz	OHXCTYIOPIVWRA-GFCCVEGCSA-N	0	0	196.265	3.079	10	0		AGAERN
C[C@@H]1CCCC[C@]1(O)C1CCCC1	37375791	351467014	/nfs/dbraw/zinc/46/70/14/351467014.db2.gz	POPGVVSTYPGFOA-ZYHUDNBSSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(C)C[C@](C)(O)c1ccc(F)cc1	37379348	351467084	/nfs/dbraw/zinc/46/70/84/351467084.db2.gz	HHSQVRWWSDYVJK-LBPRGKRZSA-N	0	0	196.265	3.079	10	0		AGAERN
O[C@@H](c1ccsc1)C1CCCCC1	37464892	351467564	/nfs/dbraw/zinc/46/75/64/351467564.db2.gz	JTXJMHRSWXDLBT-LLVKDONJSA-N	0	0	196.315	3.362	10	0		AGAERN
O[C@H](c1ccsc1)C1CCCCC1	37464894	351467748	/nfs/dbraw/zinc/46/77/48/351467748.db2.gz	JTXJMHRSWXDLBT-NSHDSACASA-N	0	0	196.315	3.362	10	0		AGAERN
CC(C)CSc1cc(N)cc(F)c1	37668183	351471047	/nfs/dbraw/zinc/47/10/47/351471047.db2.gz	DWQHOERJNVRIMP-UHFFFAOYSA-N	0	0	199.294	3.156	10	0		AGAERN
CC[C@@H](C)Sc1cc(N)cc(F)c1	37668169	351471213	/nfs/dbraw/zinc/47/12/13/351471213.db2.gz	JFKZMTPYVWQAOO-SSDOTTSWSA-N	0	0	199.294	3.299	10	0		AGAERN
CC[C@@H](C)[C@](C)(O)C1CCCCC1	37745630	351472732	/nfs/dbraw/zinc/47/27/32/351472732.db2.gz	GLXMWEBDRNYTQT-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
c1ccn(CCC2CCCC2)c1	37741642	351472792	/nfs/dbraw/zinc/47/27/92/351472792.db2.gz	DJDMTGVMXUDTIQ-UHFFFAOYSA-N	0	0	163.264	3.068	10	0		AGAERN
CC[C@@H](C)[C@](C)(O)c1ccccc1C	37745650	351472824	/nfs/dbraw/zinc/47/28/24/351472824.db2.gz	MJVYOHFXCUKCRO-YPMHNXCESA-N	0	0	192.302	3.249	10	0		AGAERN
CC[C@](O)(c1ccc(C)cc1)C(C)C	37755308	351473814	/nfs/dbraw/zinc/47/38/14/351473814.db2.gz	ACORMVJKTCSZHE-CYBMUJFWSA-N	0	0	192.302	3.249	10	0		AGAERN
CC[C@](O)(c1ccc(F)cc1)C(C)C	37755292	351473842	/nfs/dbraw/zinc/47/38/42/351473842.db2.gz	NJXSTSJHRINCNH-GFCCVEGCSA-N	0	0	196.265	3.079	10	0		AGAERN
CC(C)C(=O)c1cnc2ccccc2c1	37761572	351474010	/nfs/dbraw/zinc/47/40/10/351474010.db2.gz	ZQKVZRHIGXKDCV-UHFFFAOYSA-N	0	0	199.253	3.074	10	0		AGAERN
CC[C@](O)(c1ccccc1C)C(C)C	37755314	351474041	/nfs/dbraw/zinc/47/40/41/351474041.db2.gz	ZFBHKGBLYQRUDI-CYBMUJFWSA-N	0	0	192.302	3.249	10	0		AGAERN
CC[C@@](O)(c1ccc(F)cc1)C(C)C	37755291	351474205	/nfs/dbraw/zinc/47/42/05/351474205.db2.gz	NJXSTSJHRINCNH-LBPRGKRZSA-N	0	0	196.265	3.079	10	0		AGAERN
c1ccc(NCCC2CCCC2)nc1	37996263	351477227	/nfs/dbraw/zinc/47/72/27/351477227.db2.gz	GNWJCAFYASHCSY-UHFFFAOYSA-N	0	0	190.290	3.074	10	0		AGAERN
c1ccc(Nc2ccsc2)cc1	38844269	351483555	/nfs/dbraw/zinc/48/35/55/351483555.db2.gz	AACVIJSESUHQOI-UHFFFAOYSA-N	0	0	175.256	3.492	10	0		AGAERN
c1ccc(Cc2ccsc2)cc1	38949740	351484210	/nfs/dbraw/zinc/48/42/10/351484210.db2.gz	QNIZTJWJJFGIDS-UHFFFAOYSA-N	0	0	174.268	3.339	10	0		AGAERN
CC(C)C1(C(C)C)CN=NS1	39104616	351491133	/nfs/dbraw/zinc/49/11/33/351491133.db2.gz	LDFAKJXPASVFLA-UHFFFAOYSA-N	0	0	172.297	3.151	10	0		AGAERN
CC(C)=C1C[C@@H]1c1ccc(O)cc1	39104746	351491229	/nfs/dbraw/zinc/49/12/29/351491229.db2.gz	ANUJSXNYWRZBCK-GFCCVEGCSA-N	0	0	174.243	3.216	10	0		AGAERN
CC(C)=C1C[C@H]1c1ccc(O)cc1	39104747	351491593	/nfs/dbraw/zinc/49/15/93/351491593.db2.gz	ANUJSXNYWRZBCK-LBPRGKRZSA-N	0	0	174.243	3.216	10	0		AGAERN
CC(C)C1=CSCCCS1	39104743	351491749	/nfs/dbraw/zinc/49/17/49/351491749.db2.gz	OLAWCPAHDYNGAS-UHFFFAOYSA-N	0	0	174.334	3.354	10	0		AGAERN
CCSc1cccc(SCC)n1	39117385	351493342	/nfs/dbraw/zinc/49/33/42/351493342.db2.gz	NIKBUTMQFWPEKE-UHFFFAOYSA-N	0	0	199.344	3.306	10	0		AGAERN
CC[C@@H](C)c1ccccc1C=O	39120395	351493470	/nfs/dbraw/zinc/49/34/70/351493470.db2.gz	IXGHAHQCIKNYHY-SECBINFHSA-N	0	0	162.232	3.013	10	0		AGAERN
c1ccc([C@H]2Cc3ccccc3O2)cc1	39120154	351493585	/nfs/dbraw/zinc/49/35/85/351493585.db2.gz	QMPOHKDJNKTEHF-CQSZACIVSA-N	0	0	196.249	3.363	10	0		AGAERN
c1ccc([C@@H]2Cc3ccccc3O2)cc1	39120152	351493738	/nfs/dbraw/zinc/49/37/38/351493738.db2.gz	QMPOHKDJNKTEHF-AWEZNQCLSA-N	0	0	196.249	3.363	10	0		AGAERN
CCSc1cccnc1SCC	39117387	351493849	/nfs/dbraw/zinc/49/38/49/351493849.db2.gz	QXDRMFOIGFYGQP-UHFFFAOYSA-N	0	0	199.344	3.306	10	0		AGAERN
c1ccc(-c2ncc(C3CC3)cn2)cc1	39121272	351494719	/nfs/dbraw/zinc/49/47/19/351494719.db2.gz	GSTSUPPOWHCMRZ-UHFFFAOYSA-N	0	0	196.253	3.021	10	0		AGAERN
CC[C@@H](C)c1cccc(C)c1N	39136147	351495638	/nfs/dbraw/zinc/49/56/38/351495638.db2.gz	DQPHQOPKRDEODQ-MRVPVSSYSA-N	0	0	163.264	3.091	10	0		AGAERN
c1cc2c3c(ccc2o1)N=NC3	39136298	351495821	/nfs/dbraw/zinc/49/58/21/351495821.db2.gz	VKPWOHJGUCDMLI-UHFFFAOYSA-N	0	0	158.160	3.030	10	0		AGAERN
O[C@@H]1/C=C/CCCCCCCCC1	39238889	351498798	/nfs/dbraw/zinc/49/87/98/351498798.db2.gz	HNTAJRDNEDXPDP-ZJNQMXKESA-N	0	0	182.307	3.428	10	0		AGAERN
O[C@H]1/C=C/CCCCCCCCC1	39238888	351499036	/nfs/dbraw/zinc/49/90/36/351499036.db2.gz	HNTAJRDNEDXPDP-OANVXVOSSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)C(=O)c1ccc2ccccc2n1	39284395	351499766	/nfs/dbraw/zinc/49/97/66/351499766.db2.gz	QCXGYUPOVAWCRW-UHFFFAOYSA-N	0	0	199.253	3.074	10	0		AGAERN
C[C@@H]1CC[C@@H](C(C)(C)C)CC1=O	39259773	351499840	/nfs/dbraw/zinc/49/98/40/351499840.db2.gz	WVVALRZXBLFRSJ-RKDXNWHRSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@@H]1CCC(=O)c2c(F)ccc(F)c21	39269309	351500026	/nfs/dbraw/zinc/50/00/26/351500026.db2.gz	WGARJGIZDRDGMJ-ZCFIWIBFSA-N	0	0	196.196	3.045	10	0		AGAERN
CC(C)C(=O)[C@H]1CCCC[C@@H]1C	39402386	351501846	/nfs/dbraw/zinc/50/18/46/351501846.db2.gz	WFBWTZVNOCDOKC-UWVGGRQHSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)C(=O)[C@H]1CCCC[C@H]1C	39402385	351501923	/nfs/dbraw/zinc/50/19/23/351501923.db2.gz	WFBWTZVNOCDOKC-ZJUUUORDSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1ccc(C)c(C)c1	40241735	351505303	/nfs/dbraw/zinc/50/53/03/351505303.db2.gz	JAIXWKDLVKAKAQ-RNCFNFMXSA-N	0	0	192.302	3.383	10	0		AGAERN
OC1(c2cccs2)CCCCCC1	40237455	351505346	/nfs/dbraw/zinc/50/53/46/351505346.db2.gz	RBEKMCXGMLVZMS-UHFFFAOYSA-N	0	0	196.315	3.290	10	0		AGAERN
CC[C@@H](C)Nc1cccc(F)c1F	40229841	351505398	/nfs/dbraw/zinc/50/53/98/351505398.db2.gz	GTMAMJJOOBOBGK-SSDOTTSWSA-N	0	0	185.217	3.175	10	0		AGAERN
O[C@H](CC1CCCC1)c1cccs1	40247605	351505541	/nfs/dbraw/zinc/50/55/41/351505541.db2.gz	NUNPQLCZESBLJV-SNVBAGLBSA-N	0	0	196.315	3.362	10	0		AGAERN
C[C@@H](OC(C)(C)C)c1ccc(N)cc1	40909161	351511628	/nfs/dbraw/zinc/51/16/28/351511628.db2.gz	ABNSBZSKZQBSBG-SECBINFHSA-N	0	0	193.290	3.145	10	0		AGAERN
CC(C)C[C@@H]1CC(=O)c2ccccc21	41204242	351517297	/nfs/dbraw/zinc/51/72/97/351517297.db2.gz	RXKYZCYGUPFXAP-SNVBAGLBSA-N	0	0	188.270	3.403	10	0		AGAERN
CC(C)C[C@H]1CC(=O)c2ccccc21	41204244	351517698	/nfs/dbraw/zinc/51/76/98/351517698.db2.gz	RXKYZCYGUPFXAP-JTQLQIEISA-N	0	0	188.270	3.403	10	0		AGAERN
CCSCCNc1ccc(C)cc1	41580155	351518873	/nfs/dbraw/zinc/51/88/73/351518873.db2.gz	LVXMIYDIVKHCQG-UHFFFAOYSA-N	0	0	195.331	3.160	10	0		AGAERN
C[C@@H](c1cccc(F)c1)n1cccc1	42228296	351520277	/nfs/dbraw/zinc/52/02/77/351520277.db2.gz	YHHPRLRDDAJELE-JTQLQIEISA-N	0	0	189.233	3.237	10	0		AGAERN
CC[C@@H](C(C)C)n1cc[nH]c1=S	42591469	351524171	/nfs/dbraw/zinc/52/41/71/351524171.db2.gz	VBJUUBVIHYMYEP-QMMMGPOBSA-N	0	0	184.308	3.153	10	0		AGAERN
CC[C@@H](C)C(=O)c1sccc1C	42728576	351524461	/nfs/dbraw/zinc/52/44/61/351524461.db2.gz	VATDOAWUWQYLQW-SSDOTTSWSA-N	0	0	182.288	3.285	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1sccc1C	42731244	351524496	/nfs/dbraw/zinc/52/44/96/351524496.db2.gz	KURSPBDLTAFZMJ-APPZFPTMSA-N	0	0	184.304	3.136	10	0		AGAERN
CCCC[C@@H](CCC)C(C)=O	43502145	351529736	/nfs/dbraw/zinc/52/97/36/351529736.db2.gz	ZWNKACLCRAWPMO-SNVBAGLBSA-N	0	0	156.269	3.182	10	0		AGAERN
CCCC[C@H](CCC)C(C)=O	43502147	351529836	/nfs/dbraw/zinc/52/98/36/351529836.db2.gz	ZWNKACLCRAWPMO-JTQLQIEISA-N	0	0	156.269	3.182	10	0		AGAERN
CCCCC[C@H](C)CC(C)=O	43502122	351529905	/nfs/dbraw/zinc/52/99/05/351529905.db2.gz	JBYKHOKWOUCUDJ-VIFPVBQESA-N	0	0	156.269	3.182	10	0		AGAERN
CC(C)C[C@@H]1C[C@@H](C)CCC1=O	44468456	351538695	/nfs/dbraw/zinc/53/86/95/351538695.db2.gz	QAGUPSLYMIJOMM-VHSXEESVSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	43654049	351532981	/nfs/dbraw/zinc/53/29/81/351532981.db2.gz	LYCRAZFAMQOPDJ-BDAKNGLRSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)=CC[C@@H]1CCCCC[C@@H]1O	43658809	351533138	/nfs/dbraw/zinc/53/31/38/351533138.db2.gz	KSOOSCDCFYJUER-RYUDHWBXSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)=CC[C@@H]1CCCCC[C@H]1O	43658811	351533294	/nfs/dbraw/zinc/53/32/94/351533294.db2.gz	KSOOSCDCFYJUER-NWDGAFQWSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)=CC[C@H]1CCCCC[C@@H]1O	43658810	351533607	/nfs/dbraw/zinc/53/36/07/351533607.db2.gz	KSOOSCDCFYJUER-NEPJUHHUSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)C[C@H]1C[C@H](C)CCC1=O	44468459	351538818	/nfs/dbraw/zinc/53/88/18/351538818.db2.gz	QAGUPSLYMIJOMM-ZJUUUORDSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)CC[C@H](CCCO)C(C)C	44383010	351538866	/nfs/dbraw/zinc/53/88/66/351538866.db2.gz	DNAGHKAZJYATJE-LBPRGKRZSA-N	0	0	186.339	3.467	10	0		AGAERN
CC(C)C[C@@H]1C[C@H](C)CCC1=O	44468453	351538901	/nfs/dbraw/zinc/53/89/01/351538901.db2.gz	QAGUPSLYMIJOMM-NXEZZACHSA-N	0	0	168.280	3.038	10	0		AGAERN
CCOc1nc2cccc(C)c2s1	45237215	351543158	/nfs/dbraw/zinc/54/31/58/351543158.db2.gz	FJUFBFYPFLRCFG-UHFFFAOYSA-N	0	0	193.271	3.003	10	0		AGAERN
c1cc2c(ccc3ncsc32)o1	45237501	351543358	/nfs/dbraw/zinc/54/33/58/351543358.db2.gz	SRKOPNQADBARKW-UHFFFAOYSA-N	0	0	175.212	3.043	10	0		AGAERN
CCOc1cccc2sc(C)nc12	45237102	351543486	/nfs/dbraw/zinc/54/34/86/351543486.db2.gz	NCZZNGGTZLURCB-UHFFFAOYSA-N	0	0	193.271	3.003	10	0		AGAERN
CCOc1nc2cc(C)ccc2s1	45237208	351543736	/nfs/dbraw/zinc/54/37/36/351543736.db2.gz	LIRJJPPMKNTSOX-UHFFFAOYSA-N	0	0	193.271	3.003	10	0		AGAERN
O[C@H](C1=CCCCC1)C1CCCC1	50329030	351552759	/nfs/dbraw/zinc/55/27/59/351552759.db2.gz	ZCVGWMQFOKPRJV-GFCCVEGCSA-N	0	0	180.291	3.038	10	0		AGAERN
O[C@H](C1=CCCCC1)c1ccsc1	50328883	351553064	/nfs/dbraw/zinc/55/30/64/351553064.db2.gz	QNJCMAUVMHCZSY-LLVKDONJSA-N	0	0	194.299	3.282	10	0		AGAERN
CC[C@@H](C)Oc1ccc(N)c(Cl)c1	50470904	351554319	/nfs/dbraw/zinc/55/43/19/351554319.db2.gz	YTHTUUDROQMLMV-SSDOTTSWSA-N	0	0	199.681	3.100	10	0		AGAERN
CC[C@@H](C)C[C@H]1CCCCC1=O	50425997	351554411	/nfs/dbraw/zinc/55/44/11/351554411.db2.gz	XFLKBGDJSXWYIZ-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H](C)C[C@@H]1CCCCC1=O	50425993	351554608	/nfs/dbraw/zinc/55/46/08/351554608.db2.gz	XFLKBGDJSXWYIZ-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H](C)[C@H](C)Nc1ncccc1C	51041071	351556706	/nfs/dbraw/zinc/55/67/06/351556706.db2.gz	FAUVCOBXIXPMAN-KOLCDFICSA-N	0	0	192.306	3.237	10	0		AGAERN
CC[C@@H](C)[C@@H](C)Nc1ncccc1C	51041069	351556801	/nfs/dbraw/zinc/55/68/01/351556801.db2.gz	FAUVCOBXIXPMAN-MWLCHTKSSA-N	0	0	192.306	3.237	10	0		AGAERN
C[C@@H]1CCC[C@H](C(=O)C(C)(C)C)C1	52231663	351564653	/nfs/dbraw/zinc/56/46/53/351564653.db2.gz	MSAHPZVQOBEFJE-ZJUUUORDSA-N	0	0	182.307	3.428	10	0		AGAERN
Oc1cc(Cl)cc2ccccc12	62718973	351589532	/nfs/dbraw/zinc/58/95/32/351589532.db2.gz	QIYQXBXAXLIEQQ-UHFFFAOYSA-N	0	0	178.618	3.199	10	0		AGAERN
CC(C)C(=O)c1ccc2ncccc2c1	62801739	351589761	/nfs/dbraw/zinc/58/97/61/351589761.db2.gz	HZKDMXVRIZQMMX-UHFFFAOYSA-N	0	0	199.253	3.074	10	0		AGAERN
Oc1ccc(-c2ccsc2)c(F)c1	65340682	351591519	/nfs/dbraw/zinc/59/15/19/351591519.db2.gz	PERMPBHNLYVPTF-UHFFFAOYSA-N	0	0	194.230	3.260	10	0		AGAERN
Oc1ccc(-c2ccsc2)cc1F	65340680	351591620	/nfs/dbraw/zinc/59/16/20/351591620.db2.gz	UHKUBJCGSSPFCR-UHFFFAOYSA-N	0	0	194.230	3.260	10	0		AGAERN
Oc1ccc(-c2ccco2)cc1Cl	65343012	351591708	/nfs/dbraw/zinc/59/17/08/351591708.db2.gz	GLDREEWWKCUQAI-UHFFFAOYSA-N	0	0	194.617	3.306	10	0		AGAERN
Oc1ccc(-c2cccs2)c(F)c1	65340678	351591728	/nfs/dbraw/zinc/59/17/28/351591728.db2.gz	GQJSELTYZHTQOD-UHFFFAOYSA-N	0	0	194.230	3.260	10	0		AGAERN
Oc1cc(F)cc(-c2ccsc2)c1	65340683	351591872	/nfs/dbraw/zinc/59/18/72/351591872.db2.gz	BJAQJLIQGPNMQY-UHFFFAOYSA-N	0	0	194.230	3.260	10	0		AGAERN
Oc1ccc(-c2cccs2)cc1F	65340676	351592078	/nfs/dbraw/zinc/59/20/78/351592078.db2.gz	MAUKMGWZYKKYKB-UHFFFAOYSA-N	0	0	194.230	3.260	10	0		AGAERN
Oc1cc(F)cc(-c2cccs2)c1	65340679	351592129	/nfs/dbraw/zinc/59/21/29/351592129.db2.gz	JGZPPDBOOVHTLL-UHFFFAOYSA-N	0	0	194.230	3.260	10	0		AGAERN
C[C@@H](Cc1cccs1)n1cccc1	70852458	351607726	/nfs/dbraw/zinc/60/77/26/351607726.db2.gz	QZMPMWLGRBZPSH-JTQLQIEISA-N	0	0	191.299	3.353	10	0		AGAERN
C[C@H](Cc1cccs1)n1cccc1	70852465	351608169	/nfs/dbraw/zinc/60/81/69/351608169.db2.gz	QZMPMWLGRBZPSH-SNVBAGLBSA-N	0	0	191.299	3.353	10	0		AGAERN
C[C@@H]1CCCc2ccccc21	71253428	351609666	/nfs/dbraw/zinc/60/96/66/351609666.db2.gz	APBBTKKLSNPFDP-SECBINFHSA-N	0	0	146.233	3.126	10	0		AGAERN
C[C@@H]1CCc2cccc(Cl)c2N1	71479822	351610702	/nfs/dbraw/zinc/61/07/02/351610702.db2.gz	PYQBJECWXOUNTM-SSDOTTSWSA-N	0	0	181.666	3.087	10	0		AGAERN
CC[C@@H](C)Nc1ccc(C(C)=O)cc1	71505955	351611465	/nfs/dbraw/zinc/61/14/65/351611465.db2.gz	NGVUKQZXUBCXHW-SECBINFHSA-N	0	0	191.274	3.100	10	0		AGAERN
CC(C)C1=CC[C@@H](C)CC1	77050244	351626081	/nfs/dbraw/zinc/62/60/81/351626081.db2.gz	YYCPSEFQLGXPCO-SECBINFHSA-N	0	0	138.254	3.389	10	0	endogenous,in-man	AGAERN
CC(C)C1=CC[C@H](C)CC1	77050241	351626559	/nfs/dbraw/zinc/62/65/59/351626559.db2.gz	YYCPSEFQLGXPCO-VIFPVBQESA-N	0	0	138.254	3.389	10	0	endogenous,in-man	AGAERN
CC[C@@H](C)OC(=S)CC(C)C	87492906	351660109	/nfs/dbraw/zinc/66/01/09/351660109.db2.gz	BTJPFKNQABRTTF-MRVPVSSYSA-N	0	0	174.309	3.175	10	0		AGAERN
c1ccc(-c2cccc3ocnc23)cc1	89195183	351661689	/nfs/dbraw/zinc/66/16/89/351661689.db2.gz	JJOWJPHHDSCECU-UHFFFAOYSA-N	0	0	195.221	3.495	10	0		AGAERN
c1ccn(-c2ccc3c(c2)N=NC3)c1	89197285	351662962	/nfs/dbraw/zinc/66/29/62/351662962.db2.gz	IHRFDRQJADIGMM-UHFFFAOYSA-N	0	0	183.214	3.075	10	0		AGAERN
CCOc1ccc2sccc2c1	89195344	351663110	/nfs/dbraw/zinc/66/31/10/351663110.db2.gz	ZAPQHYHSNAVRMU-UHFFFAOYSA-N	0	0	178.256	3.300	10	0		AGAERN
CC(C)C1(c2ccccc2)CC1	95923521	351676250	/nfs/dbraw/zinc/67/62/50/351676250.db2.gz	UAZCFEANXCTOCG-UHFFFAOYSA-N	0	0	160.260	3.374	10	0		AGAERN
CC[C@@H](C)c1ccc(F)c(O)c1	96328660	351680749	/nfs/dbraw/zinc/68/07/49/351680749.db2.gz	LGXNFYPIWZDEBI-SSDOTTSWSA-N	0	0	168.211	3.045	10	0		AGAERN
CCSc1c(F)cc(F)cc1F	114570009	351723913	/nfs/dbraw/zinc/72/39/13/351723913.db2.gz	BMKWRGXYONIKRK-UHFFFAOYSA-N	0	0	192.205	3.216	10	0		AGAERN
OCc1csc2cc(Cl)ccc12	118013734	351726118	/nfs/dbraw/zinc/72/61/18/351726118.db2.gz	WDGZQLAZXNJTML-UHFFFAOYSA-N	0	0	198.674	3.047	10	0		AGAERN
C[C@@H]1C[C@H]1Nc1nccc2ccccc12	123779576	351728676	/nfs/dbraw/zinc/72/86/76/351728676.db2.gz	MGSITEZUHRHMPL-BXKDBHETSA-N	0	0	198.269	3.055	10	0		AGAERN
C[C@H]1C[C@@H]1Nc1nccc2ccccc12	123779330	351728880	/nfs/dbraw/zinc/72/88/80/351728880.db2.gz	MGSITEZUHRHMPL-CABZTGNLSA-N	0	0	198.269	3.055	10	0		AGAERN
C[C@H]1C[C@H]1Nc1nccc2ccccc12	123779826	351728939	/nfs/dbraw/zinc/72/89/39/351728939.db2.gz	MGSITEZUHRHMPL-JOYOIKCWSA-N	0	0	198.269	3.055	10	0		AGAERN
C[C@@H]1C[C@@H]1Nc1nccc2ccccc12	123779149	351728993	/nfs/dbraw/zinc/72/89/93/351728993.db2.gz	MGSITEZUHRHMPL-SKDRFNHKSA-N	0	0	198.269	3.055	10	0		AGAERN
c1c[nH]c(-c2cc3ccccc3[nH]2)c1	136872863	351741429	/nfs/dbraw/zinc/74/14/29/351741429.db2.gz	GTPLWYWCWKWMKJ-UHFFFAOYSA-N	0	0	182.226	3.163	10	0		AGAERN
C/C=C1\CCCc2ccccc21	138302679	351743014	/nfs/dbraw/zinc/74/30/14/351743014.db2.gz	ZNSSUHNPBPAUON-WTDSWWLTSA-N	0	0	158.244	3.426	10	0		AGAERN
c1cc2cc3ccoc3cc2o1	142387957	351745765	/nfs/dbraw/zinc/74/57/65/351745765.db2.gz	VRVRKRVJBOXCTA-UHFFFAOYSA-N	0	0	158.156	3.179	10	0		AGAERN
CCc1c[nH]c2c(F)cc(F)cc12	149527075	351750182	/nfs/dbraw/zinc/75/01/82/351750182.db2.gz	OAPVSYGVMFKKPZ-UHFFFAOYSA-N	0	0	181.185	3.009	10	0		AGAERN
CCOC(=O)[C@]1(C(C)C)CCC[C@H]1C	163980105	351763698	/nfs/dbraw/zinc/76/36/98/351763698.db2.gz	OITUOMZOYDNASW-PWSUYJOCSA-N	0	0	198.306	3.012	10	0		AGAERN
CCOC(=O)[C@@]1(C(C)C)CCC[C@H]1C	163980183	351763722	/nfs/dbraw/zinc/76/37/22/351763722.db2.gz	OITUOMZOYDNASW-ZYHUDNBSSA-N	0	0	198.306	3.012	10	0		AGAERN
CCOC(=O)[C@]1(C(C)C)CCC[C@@H]1C	163979936	351763761	/nfs/dbraw/zinc/76/37/61/351763761.db2.gz	OITUOMZOYDNASW-JQWIXIFHSA-N	0	0	198.306	3.012	10	0		AGAERN
CCOC(=O)[C@@]1(C(C)C)CCC[C@@H]1C	163980011	351763774	/nfs/dbraw/zinc/76/37/74/351763774.db2.gz	OITUOMZOYDNASW-CMPLNLGQSA-N	0	0	198.306	3.012	10	0		AGAERN
OCc1csc2c(Cl)cccc12	164518542	351764001	/nfs/dbraw/zinc/76/40/01/351764001.db2.gz	TZFBEHOZYXSGHL-UHFFFAOYSA-N	0	0	198.674	3.047	10	0	in-vitro	AGAERN
CC(=O)c1cc(C(C)(C)C)oc1C	164337737	351764510	/nfs/dbraw/zinc/76/45/10/351764510.db2.gz	HQYZEAKBFIFBHT-UHFFFAOYSA-N	0	0	180.247	3.088	10	0		AGAERN
C[C@@H]1CCC[C@@H]([C@@]2(O)C=CCCC2)C1	165930645	351766742	/nfs/dbraw/zinc/76/67/42/351766742.db2.gz	SHHJYEVSBIJHND-JHJVBQTASA-N	0	0	194.318	3.284	10	0		AGAERN
C[C@@H]1CCC[C@H]([C@@]2(O)C=CCCC2)C1	165930413	351767020	/nfs/dbraw/zinc/76/70/20/351767020.db2.gz	SHHJYEVSBIJHND-FRRDWIJNSA-N	0	0	194.318	3.284	10	0		AGAERN
CCC[C@@H]1CNc2ccc(F)cc21	167980778	351768947	/nfs/dbraw/zinc/76/89/47/351768947.db2.gz	AMPOIKZSFRGANF-MRVPVSSYSA-N	0	0	179.238	3.135	10	0		AGAERN
CCC[C@H]1CNc2ccc(F)cc21	167980882	351769092	/nfs/dbraw/zinc/76/90/92/351769092.db2.gz	AMPOIKZSFRGANF-QMMMGPOBSA-N	0	0	179.238	3.135	10	0		AGAERN
Cc1ccccc1[C@@H]1C=CCC1	196177365	351774985	/nfs/dbraw/zinc/77/49/85/351774985.db2.gz	SUWZXWSCHVJRMZ-LLVKDONJSA-N	0	0	158.244	3.429	10	0		AGAERN
C=C1C=C(C)C(C)(C)C(C)=C1	196327191	351775426	/nfs/dbraw/zinc/77/54/26/351775426.db2.gz	NYCDYTLWOSZCET-UHFFFAOYSA-N	0	0	148.249	3.475	10	0		AGAERN
C(=C1SCCCS1)c1ccco1	196329484	351775584	/nfs/dbraw/zinc/77/55/84/351775584.db2.gz	CGEGHNYQHOUDQD-UHFFFAOYSA-N	0	0	198.312	3.448	10	0		AGAERN
CCC(=O)[Si](C)(C)C(C)(C)C	196632671	351777127	/nfs/dbraw/zinc/77/71/27/351777127.db2.gz	GWFVOPGYICIVMN-UHFFFAOYSA-N	0	0	172.344	3.013	10	0		AGAERN
Cc1ccc2c(C)nc(C)cc2c1	196629971	351777147	/nfs/dbraw/zinc/77/71/47/351777147.db2.gz	ZRSRILFUBSWCSK-UHFFFAOYSA-N	0	0	171.243	3.160	10	0		AGAERN
CC1=C2CCCC[C@@H]2O[C@@H](C)C1	196984713	351777543	/nfs/dbraw/zinc/77/75/43/351777543.db2.gz	KSCFKODRPOOYPO-ONGXEEELSA-N	0	0	166.264	3.054	10	0		AGAERN
CC1=C2CCCC[C@H]2O[C@@H](C)C1	196984736	351777574	/nfs/dbraw/zinc/77/75/74/351777574.db2.gz	KSCFKODRPOOYPO-GXSJLCMTSA-N	0	0	166.264	3.054	10	0		AGAERN
CC1=C2CCCC[C@H]2O[C@H](C)C1	196984723	351777628	/nfs/dbraw/zinc/77/76/28/351777628.db2.gz	KSCFKODRPOOYPO-MWLCHTKSSA-N	0	0	166.264	3.054	10	0		AGAERN
CC1=C2CCCC[C@@H]2O[C@H](C)C1	196984704	351777728	/nfs/dbraw/zinc/77/77/28/351777728.db2.gz	KSCFKODRPOOYPO-KOLCDFICSA-N	0	0	166.264	3.054	10	0		AGAERN
CCCC(=O)CC[Si](C)(C)C	197042415	351777801	/nfs/dbraw/zinc/77/78/01/351777801.db2.gz	KFMWLTVUVIRTCH-UHFFFAOYSA-N	0	0	172.344	3.084	10	0		AGAERN
CCC(CC)=C1CC=CC1	197197906	351778186	/nfs/dbraw/zinc/77/81/86/351778186.db2.gz	MCCZQJPZALVERW-UHFFFAOYSA-N	0	0	136.238	3.453	10	0		AGAERN
Clc1ccc2c(c1)C=CCCN2	199920125	351780097	/nfs/dbraw/zinc/78/00/97/351780097.db2.gz	FSKMHCDLPSXAEH-UHFFFAOYSA-N	0	0	179.650	3.169	10	0		AGAERN
C/C=C\CC1=C(C)CCC1	201008797	351781248	/nfs/dbraw/zinc/78/12/48/351781248.db2.gz	QUQOZOBHIUEDSV-ARJAWSKDSA-N	0	0	136.238	3.453	10	0		AGAERN
CC/C=C/Cc1ccc(C=O)cc1	205221811	351784352	/nfs/dbraw/zinc/78/43/52/351784352.db2.gz	IGCDWFNPOUBVJD-ONEGZZNKSA-N	0	0	174.243	3.008	10	0		AGAERN
OCCC/C=C\Sc1ccccc1	205216883	351784645	/nfs/dbraw/zinc/78/46/45/351784645.db2.gz	PJZRNXUYKKIAOK-POHAHGRESA-N	0	0	194.299	3.065	10	0		AGAERN
Cc1nc2ccc(N=O)cc2s1	211679542	351785675	/nfs/dbraw/zinc/78/56/75/351785675.db2.gz	PYQNHKKSHIRCSW-UHFFFAOYSA-N	0	0	178.216	3.003	10	0		AGAERN
Cc1c(OCF)ccc(Cl)c1F	220104843	351792042	/nfs/dbraw/zinc/79/20/42/351792042.db2.gz	DRALAWFHNULACK-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
Cc1ccc(C(=O)[C@@H]2CC2(C)C)cc1	235887583	351817197	/nfs/dbraw/zinc/81/71/97/351817197.db2.gz	IKWINIBLEZZEQO-NSHDSACASA-N	0	0	188.270	3.224	10	0		AGAERN
Cc1ccc(C(=O)[C@@H]2CC2(C)C)s1	235887707	351817398	/nfs/dbraw/zinc/81/73/98/351817398.db2.gz	TXDMRJYLHQPXAQ-QMMMGPOBSA-N	0	0	194.299	3.285	10	0		AGAERN
CC(C)c1cc(C(C)C)nc(Cl)n1	238227449	351819084	/nfs/dbraw/zinc/81/90/84/351819084.db2.gz	JZDNSTZVIHGIPT-UHFFFAOYSA-N	0	0	198.697	3.377	10	0		AGAERN
CC[C@@H]1CCCCC[C@@H]1C(C)=O	238305252	351820194	/nfs/dbraw/zinc/82/01/94/351820194.db2.gz	VYUXQLUHZPIOSO-GHMZBOCLSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H]1CCCCC[C@H]1C(C)=O	238305289	351820491	/nfs/dbraw/zinc/82/04/91/351820491.db2.gz	VYUXQLUHZPIOSO-MNOVXSKESA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1ccc(CCC(C)C)c(N)c1	257811469	351850438	/nfs/dbraw/zinc/85/04/38/351850438.db2.gz	BCSNPANMJIBMPZ-UHFFFAOYSA-N	0	0	177.291	3.166	10	0		AGAERN
CCc1sc(=O)[nH]c1C1CCCC1	257893798	351854297	/nfs/dbraw/zinc/85/42/97/351854297.db2.gz	XOZRFIPDHOOCBZ-UHFFFAOYSA-N	0	0	197.303	3.069	10	0		AGAERN
Cc1cc(O)c(C(F)(F)F)cc1C	257988754	351856811	/nfs/dbraw/zinc/85/68/11/351856811.db2.gz	KMAKREGWHSTHEQ-UHFFFAOYSA-N	0	0	190.164	3.028	10	0		AGAERN
Cc1ccc(C(F)(F)F)c(O)c1C	258076463	351858896	/nfs/dbraw/zinc/85/88/96/351858896.db2.gz	VAPYIMNZTFALJR-UHFFFAOYSA-N	0	0	190.164	3.028	10	0		AGAERN
CSc1cc(C(C)=O)c(F)cc1C	258215669	351860280	/nfs/dbraw/zinc/86/02/80/351860280.db2.gz	UJCOGVKETAQXSQ-UHFFFAOYSA-N	0	0	198.262	3.059	10	0		AGAERN
CC1(C)CNc2ccccc2SC1	258430302	351861757	/nfs/dbraw/zinc/86/17/57/351861757.db2.gz	FROMOWXHEYQKPW-UHFFFAOYSA-N	0	0	193.315	3.230	10	0		AGAERN
COc1cc(C)c(C)cc1SC	259117084	351869753	/nfs/dbraw/zinc/86/97/53/351869753.db2.gz	BNWLMCMZZGJZER-UHFFFAOYSA-N	0	0	182.288	3.034	10	0		AGAERN
CCCc1nc(C(F)(F)F)cs1	259154519	351870182	/nfs/dbraw/zinc/87/01/82/351870182.db2.gz	DOLAMTSHQUAGAY-UHFFFAOYSA-N	0	0	195.209	3.114	10	0		AGAERN
CCc1cc(F)c(C)cc1Cl	259199162	351871008	/nfs/dbraw/zinc/87/10/08/351871008.db2.gz	FZFBNRIXXRJRCR-UHFFFAOYSA-N	0	0	172.630	3.350	10	0		AGAERN
CC1(C)CNc2cccc(F)c2S1	259375002	351873405	/nfs/dbraw/zinc/87/34/05/351873405.db2.gz	VTARWJCDPBMSRN-UHFFFAOYSA-N	0	0	197.278	3.122	10	0		AGAERN
CSc1ccc(N(C)C(C)C)cc1	260323131	351884960	/nfs/dbraw/zinc/88/49/60/351884960.db2.gz	ZXOYQHDDTPYTOO-UHFFFAOYSA-N	0	0	195.331	3.253	10	0		AGAERN
Cc1ccc(C)c(N(C)C(C)C)c1	260294847	351884977	/nfs/dbraw/zinc/88/49/77/351884977.db2.gz	YNTVBMSXQATARN-UHFFFAOYSA-N	0	0	177.291	3.148	10	0		AGAERN
c1cc2c(c(-c3cnco3)c1)CCCC2	299890072	351893422	/nfs/dbraw/zinc/89/34/22/351893422.db2.gz	TWCDJBJCYPSPPQ-UHFFFAOYSA-N	0	0	199.253	3.220	10	0		AGAERN
CC(C)(C)/C=C/c1sccc1N	306156805	351901789	/nfs/dbraw/zinc/90/17/89/351901789.db2.gz	LWBDRCPYXLRTBV-GQCTYLIASA-N	0	0	181.304	3.390	10	0		AGAERN
Cc1cnc(NC[C@@H](C)C(C)C)s1	306156920	351901844	/nfs/dbraw/zinc/90/18/44/351901844.db2.gz	LMZGPDGIRZBQKN-MRVPVSSYSA-N	0	0	198.335	3.156	10	0		AGAERN
Cc1c(F)ccc2c1NCC[C@H]2C	306156588	351901929	/nfs/dbraw/zinc/90/19/29/351901929.db2.gz	MCYYKOQPURCRIQ-SSDOTTSWSA-N	0	0	179.238	3.053	10	0		AGAERN
Cc1c(F)ccc2c1NCC[C@@H]2C	306156590	351901996	/nfs/dbraw/zinc/90/19/96/351901996.db2.gz	MCYYKOQPURCRIQ-ZETCQYMHSA-N	0	0	179.238	3.053	10	0		AGAERN
Cc1cnc(NC[C@H](C)C(C)C)s1	306156923	351902034	/nfs/dbraw/zinc/90/20/34/351902034.db2.gz	LMZGPDGIRZBQKN-QMMMGPOBSA-N	0	0	198.335	3.156	10	0		AGAERN
C[C@@H](c1cc(Cl)on1)C(C)(C)C	306157570	351902782	/nfs/dbraw/zinc/90/27/82/351902782.db2.gz	MWBMORBEGHOLCP-LURJTMIESA-N	0	0	187.670	3.478	10	0		AGAERN
C[C@H](c1cc(Cl)on1)C(C)(C)C	306157572	351902872	/nfs/dbraw/zinc/90/28/72/351902872.db2.gz	MWBMORBEGHOLCP-ZCFIWIBFSA-N	0	0	187.670	3.478	10	0		AGAERN
CC[C@@H](C)c1noc(C=C(C)C)n1	306226613	351910595	/nfs/dbraw/zinc/91/05/95/351910595.db2.gz	WEKJZAXKRNUMKI-MRVPVSSYSA-N	0	0	180.251	3.006	10	0		AGAERN
CCCc1nc(-c2ccoc2)cs1	306252226	351912800	/nfs/dbraw/zinc/91/28/00/351912800.db2.gz	GZYICSPBZVHNPH-UHFFFAOYSA-N	0	0	193.271	3.356	10	0		AGAERN
CNc1cccc([C@H](C)SC)c1	306286785	351916238	/nfs/dbraw/zinc/91/62/38/351916238.db2.gz	LAKPBQGZAPQTKX-QMMMGPOBSA-N	0	0	181.304	3.152	10	0		AGAERN
CNc1cccc([C@@H](C)SC)c1	306286783	351916333	/nfs/dbraw/zinc/91/63/33/351916333.db2.gz	LAKPBQGZAPQTKX-MRVPVSSYSA-N	0	0	181.304	3.152	10	0		AGAERN
CC[C@@H](NO)c1c(C)cc(C)cc1C	306287156	351916426	/nfs/dbraw/zinc/91/64/26/351916426.db2.gz	LBRKWAUCKZPTOF-LLVKDONJSA-N	0	0	193.290	3.042	10	0		AGAERN
CC[C@H](NO)c1c(C)cc(C)cc1C	306287157	351916431	/nfs/dbraw/zinc/91/64/31/351916431.db2.gz	LBRKWAUCKZPTOF-NSHDSACASA-N	0	0	193.290	3.042	10	0		AGAERN
CCC1(C[C@@H]2CCC[C@H]2O)CCC1	306492614	351937782	/nfs/dbraw/zinc/93/77/82/351937782.db2.gz	QKSSDLFBMYOSPD-WDEREUQCSA-N	0	0	182.307	3.118	10	0		AGAERN
CCOc1cc(F)cc(Cl)c1C	306908812	351973173	/nfs/dbraw/zinc/97/31/73/351973173.db2.gz	GRTJNODPUXCYIU-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
Cc1ccc(O)c(C)c1C(F)(F)F	306908215	351973266	/nfs/dbraw/zinc/97/32/66/351973266.db2.gz	DXPCYSPTGYMEGQ-UHFFFAOYSA-N	0	0	190.164	3.028	10	0		AGAERN
CCc1cc(C)c(C)cc1F	306908057	351973541	/nfs/dbraw/zinc/97/35/41/351973541.db2.gz	FMJTTXBFZYYZHZ-UHFFFAOYSA-N	0	0	152.212	3.005	10	0		AGAERN
CCc1c(C)cc(C)cc1F	306908692	351973586	/nfs/dbraw/zinc/97/35/86/351973586.db2.gz	FUCZOZYNCOONJU-UHFFFAOYSA-N	0	0	152.212	3.005	10	0		AGAERN
CCc1c(F)ccc(C(F)F)c1F	306934591	351976066	/nfs/dbraw/zinc/97/60/66/351976066.db2.gz	HBUIVFPVLHEYLI-UHFFFAOYSA-N	0	0	192.155	3.465	10	0		AGAERN
CCc1cc(C)cc(F)c1Cl	306934571	351976133	/nfs/dbraw/zinc/97/61/33/351976133.db2.gz	HBMOXLLOYWXWLI-UHFFFAOYSA-N	0	0	172.630	3.350	10	0		AGAERN
CCOc1c(C)cc(Cl)cc1F	307522601	352020236	/nfs/dbraw/zinc/02/02/36/352020236.db2.gz	CEPRLLAVSFEUPT-UHFFFAOYSA-N	0	0	188.629	3.186	10	0		AGAERN
CCCCOc1ccc(F)c(F)c1	308285596	352047657	/nfs/dbraw/zinc/04/76/57/352047657.db2.gz	ATLUKTUFBWYCQS-UHFFFAOYSA-N	0	0	186.201	3.144	10	0		AGAERN
CC/C=C(/C)c1nc([C@H]2C[C@@H]2C)no1	334693323	352079543	/nfs/dbraw/zinc/07/95/43/352079543.db2.gz	CMCOITBBLLXQJE-SISDLMPYSA-N	0	0	192.262	3.006	10	0		AGAERN
CC/C=C(/C)c1nc([C@H]2C[C@H]2C)no1	334693329	352079810	/nfs/dbraw/zinc/07/98/10/352079810.db2.gz	CMCOITBBLLXQJE-ZONUIFDKSA-N	0	0	192.262	3.006	10	0		AGAERN
CC/C=C(/C)c1nc([C@@H]2C[C@@H]2C)no1	334693317	352079821	/nfs/dbraw/zinc/07/98/21/352079821.db2.gz	CMCOITBBLLXQJE-QRJDUPJOSA-N	0	0	192.262	3.006	10	0		AGAERN
CC/C=C(/C)c1nc([C@@H]2C[C@H]2C)no1	334693326	352079981	/nfs/dbraw/zinc/07/99/81/352079981.db2.gz	CMCOITBBLLXQJE-XOPPAYCJSA-N	0	0	192.262	3.006	10	0		AGAERN
C[C@@H](c1noc(C2CC2)n1)C(C)(C)C	334758328	352081216	/nfs/dbraw/zinc/08/12/16/352081216.db2.gz	DKIJIPNRQWYJBG-ZETCQYMHSA-N	0	0	194.278	3.097	10	0		AGAERN
C[C@@H]1CC[C@H](SCc2ccon2)C1	334975287	352086984	/nfs/dbraw/zinc/08/69/84/352086984.db2.gz	QMGGPGZDRVAUBP-SCZZXKLOSA-N	0	0	197.303	3.096	10	0		AGAERN
C[C@@H]1CC[C@@H](SCc2ccon2)C1	334975286	352087196	/nfs/dbraw/zinc/08/71/96/352087196.db2.gz	QMGGPGZDRVAUBP-PSASIEDQSA-N	0	0	197.303	3.096	10	0		AGAERN
CC(C)=Cc1nc([C@H](C)C2CC2)no1	336025695	352122886	/nfs/dbraw/zinc/12/28/86/352122886.db2.gz	BKUFUCZCFJJDKR-MRVPVSSYSA-N	0	0	192.262	3.006	10	0		AGAERN
CCCCCCOc1ccccc1	575114457	352195518	/nfs/dbraw/zinc/19/55/18/352195518.db2.gz	RIBUGKZITQOESQ-UHFFFAOYSA-N	0	0	177.267	3.396	10	0		AGAERN
c1ccc(C2CCCCC2)cc1	575114451	352195521	/nfs/dbraw/zinc/19/55/21/352195521.db2.gz	MYOADAMFOVUNDA-UHFFFAOYSA-N	0	0	159.252	3.422	10	0		AGAERN
CCc1cccc(CC)c1	575114456	352195524	/nfs/dbraw/zinc/19/55/24/352195524.db2.gz	RBJTWCSESLUXNU-UHFFFAOYSA-N	0	0	133.214	3.032	10	0		AGAERN
CCCCc1ccccc1	575110638	352195733	/nfs/dbraw/zinc/19/57/33/352195733.db2.gz	FKOVWURJIJFXOW-UHFFFAOYSA-N	0	0	133.214	3.032	10	0		AGAERN
Cc1cccc(OCc2ccccc2)c1	575114460	352195560	/nfs/dbraw/zinc/19/55/60/352195560.db2.gz	SSEJUTLCIQGFNJ-UHFFFAOYSA-N	0	0	197.257	3.406	10	0		AGAERN
CC(C)CCOc1ccccc1F	575191102	352196162	/nfs/dbraw/zinc/19/61/62/352196162.db2.gz	AZDVUDPWKOQWOK-UHFFFAOYSA-N	0	0	181.230	3.159	10	0		AGAERN
Fc1cccc(OC2CCCC2)c1F	575191120	352196052	/nfs/dbraw/zinc/19/60/52/352196052.db2.gz	CSHXFJUQHXSHMO-UHFFFAOYSA-N	0	0	197.204	3.353	10	0		AGAERN
Fc1cccc(-c2ccccc2)c1	575191135	352196087	/nfs/dbraw/zinc/19/60/87/352196087.db2.gz	GFNIQOYVZCICPG-UHFFFAOYSA-N	0	0	171.194	3.138	10	0		AGAERN
CC(C)CCOc1c(F)cccc1F	575191181	352196110	/nfs/dbraw/zinc/19/61/10/352196110.db2.gz	LKLBSRMMYSKWOS-UHFFFAOYSA-N	0	0	199.220	3.457	10	0		AGAERN
Cc1cccc(OC2CCCC2)c1	575191140	352196130	/nfs/dbraw/zinc/19/61/30/352196130.db2.gz	GJJJKBGBQIGPAX-UHFFFAOYSA-N	0	0	175.251	3.149	10	0		AGAERN
c1ccc(SC2CCCC2)cc1	575191152	352196135	/nfs/dbraw/zinc/19/61/35/352196135.db2.gz	HIJFZJMRQFCIQC-UHFFFAOYSA-N	0	0	177.292	3.475	10	0		AGAERN
Cc1ccc(OC2CCCC2)cc1	575191158	352196139	/nfs/dbraw/zinc/19/61/39/352196139.db2.gz	IIUWUFYGZLKTMJ-UHFFFAOYSA-N	0	0	175.251	3.149	10	0		AGAERN
Fc1cccc(COC2CCCC2)c1	575191141	352196185	/nfs/dbraw/zinc/19/61/85/352196185.db2.gz	GMMZTTQVIJILCP-UHFFFAOYSA-N	0	0	193.241	3.098	10	0		AGAERN
CC(C)CCOc1ccccc1Cl	575191123	352196191	/nfs/dbraw/zinc/19/61/91/352196191.db2.gz	DLHIHHYYWVZQPF-UHFFFAOYSA-N	0	0	197.685	3.429	10	0		AGAERN
Fc1cccc(OC2CCCC2)c1	575191107	352196217	/nfs/dbraw/zinc/19/62/17/352196217.db2.gz	BLKNIIUCIRTTKZ-UHFFFAOYSA-N	0	0	179.214	3.056	10	0		AGAERN
Cc1ccccc1OCCC(C)C	575191185	352196235	/nfs/dbraw/zinc/19/62/35/352196235.db2.gz	LXGXPSFWMCGBPP-UHFFFAOYSA-N	0	0	177.267	3.252	10	0		AGAERN
Fc1ccc(OC2CCCCC2)cc1	575191171	352196239	/nfs/dbraw/zinc/19/62/39/352196239.db2.gz	KSDNWLHJRHAXCT-UHFFFAOYSA-N	0	0	193.241	3.446	10	0		AGAERN
Cc1ccccc1OC1CCCC1	575191121	352196253	/nfs/dbraw/zinc/19/62/53/352196253.db2.gz	CVPVQMWPFIKWJK-UHFFFAOYSA-N	0	0	175.251	3.149	10	0		AGAERN
Clc1ccc(OC2CCCC2)cc1	575191142	352196275	/nfs/dbraw/zinc/19/62/75/352196275.db2.gz	GMODGBRJZOHISF-UHFFFAOYSA-N	0	0	195.669	3.325	10	0		AGAERN
CC(C)CCOc1ccc(F)cc1F	575191103	352196282	/nfs/dbraw/zinc/19/62/82/352196282.db2.gz	AZHPNPNCIHVRKW-UHFFFAOYSA-N	0	0	199.220	3.457	10	0		AGAERN
CCCCCOCc1ccccc1	575190640	352196291	/nfs/dbraw/zinc/19/62/91/352196291.db2.gz	NOKVKXCYTLMUDD-UHFFFAOYSA-N	0	0	177.267	3.049	10	0		AGAERN
Cc1ccc(-c2ccccc2)cc1	575191166	352196299	/nfs/dbraw/zinc/19/62/99/352196299.db2.gz	JXCCDCRMLPHEOH-UHFFFAOYSA-N	0	0	167.231	3.308	10	0		AGAERN
COc1ccccc1-c1ccccc1	575191168	352196304	/nfs/dbraw/zinc/19/63/04/352196304.db2.gz	JZWLWQDRXYIYFK-UHFFFAOYSA-N	0	0	183.230	3.008	10	0		AGAERN
Cc1ccccc1OC1CCCC1	575191118	352196322	/nfs/dbraw/zinc/19/63/22/352196322.db2.gz	CGCUHPKOZMFEFD-UHFFFAOYSA-N	0	0	175.251	3.149	10	0		AGAERN
CC(C)COc1ccc2ccccc2c1	575191162	352196353	/nfs/dbraw/zinc/19/63/53/352196353.db2.gz	JJKHWHOKMOGBOR-UHFFFAOYSA-N	0	0	199.273	3.338	10	0		AGAERN
Fc1ccc(OC2CCCC2)c(F)c1	575191101	352196399	/nfs/dbraw/zinc/19/63/99/352196399.db2.gz	AJZXRXDBPDXMEO-UHFFFAOYSA-N	0	0	197.204	3.353	10	0		AGAERN
CC(C)CCOc1cccc(F)c1	575191165	352196414	/nfs/dbraw/zinc/19/64/14/352196414.db2.gz	JWQKCMLAFAWBHD-UHFFFAOYSA-N	0	0	181.230	3.159	10	0		AGAERN
Cc1cc(-c2ccccc2)ccc1F	575191126	352196417	/nfs/dbraw/zinc/19/64/17/352196417.db2.gz	DOHKGBDRLMYFLD-UHFFFAOYSA-N	0	0	185.221	3.447	10	0		AGAERN
CC(C)CCOc1ccc(F)cc1	575191207	352196780	/nfs/dbraw/zinc/19/67/80/352196780.db2.gz	PQHLQNKKNBNJGK-UHFFFAOYSA-N	0	0	181.230	3.159	10	0		AGAERN
Fc1ccc(OC2CCCC2)cc1	575191248	352196785	/nfs/dbraw/zinc/19/67/85/352196785.db2.gz	ULIGWASFNVJLDA-UHFFFAOYSA-N	0	0	179.214	3.056	10	0		AGAERN
CC[C@@H](C)Sc1ccccc1OC	575191332	352196789	/nfs/dbraw/zinc/19/67/89/352196789.db2.gz	VOGAMDFYBKKEEB-SECBINFHSA-N	0	0	195.307	3.305	10	0		AGAERN
Clc1ccccc1OC1CCCC1	575191218	352196791	/nfs/dbraw/zinc/19/67/91/352196791.db2.gz	RGVYWMMRSMQEPH-UHFFFAOYSA-N	0	0	195.669	3.325	10	0		AGAERN
Fc1ccccc1OC1CCCC1	575191255	352196795	/nfs/dbraw/zinc/19/67/95/352196795.db2.gz	UZIYTAYEKSNSML-UHFFFAOYSA-N	0	0	179.214	3.056	10	0		AGAERN
Clc1cccc(Cl)c1Cl	575191316	352196799	/nfs/dbraw/zinc/19/67/99/352196799.db2.gz	NCIGLTNPPLSUML-UHFFFAOYSA-N	0	0	180.441	3.171	10	0		AGAERN
Fc1ccccc1OC1CCCC1	575191209	352196817	/nfs/dbraw/zinc/19/68/17/352196817.db2.gz	PUDBWWAMHBPOOE-UHFFFAOYSA-N	0	0	179.214	3.056	10	0		AGAERN
CC[C@H](C)Sc1ccccc1OC	575191333	352196825	/nfs/dbraw/zinc/19/68/25/352196825.db2.gz	VOGAMDFYBKKEEB-VIFPVBQESA-N	0	0	195.307	3.305	10	0		AGAERN
Fc1ccccc1OC1CCCCC1	575191286	352196826	/nfs/dbraw/zinc/19/68/26/352196826.db2.gz	ZEBPXQJUMSCBRX-UHFFFAOYSA-N	0	0	193.241	3.446	10	0		AGAERN
Fc1cccc(F)c1OC1CCCC1	575191247	352196829	/nfs/dbraw/zinc/19/68/29/352196829.db2.gz	UJVHUUZNIQMSTB-UHFFFAOYSA-N	0	0	197.204	3.353	10	0		AGAERN
CCCOc1ccc2ccccc2c1	575191262	352196841	/nfs/dbraw/zinc/19/68/41/352196841.db2.gz	VXSBCGWEPYTKAA-UHFFFAOYSA-N	0	0	185.246	3.092	10	0		AGAERN
CC[C@H](C)Sc1ccccc1	575191339	352196852	/nfs/dbraw/zinc/19/68/52/352196852.db2.gz	WYDDKUFGEPZITO-VIFPVBQESA-N	0	0	165.281	3.331	10	0		AGAERN
Cc1cccc(C)c1OCCCCF	575191298	352196874	/nfs/dbraw/zinc/19/68/74/352196874.db2.gz	BHKTWTHUASXMSN-UHFFFAOYSA-N	0	0	195.257	3.346	10	0		AGAERN
CC[C@@H](C)Sc1ccccc1	575191338	352196879	/nfs/dbraw/zinc/19/68/79/352196879.db2.gz	WYDDKUFGEPZITO-SECBINFHSA-N	0	0	165.281	3.331	10	0		AGAERN
CCCCOc1ccc2ccccc2c1	575191211	352196898	/nfs/dbraw/zinc/19/68/98/352196898.db2.gz	QGIQKDBFPAVZOW-UHFFFAOYSA-N	0	0	199.273	3.483	10	0		AGAERN
CCCCCOCc1ccccc1F	575191198	352196912	/nfs/dbraw/zinc/19/69/12/352196912.db2.gz	NYFGMHBACCHRFZ-UHFFFAOYSA-N	0	0	195.257	3.346	10	0		AGAERN
Fc1ccccc1OC1CCCCC1	575191219	352196923	/nfs/dbraw/zinc/19/69/23/352196923.db2.gz	RMLOGWSRJDSANQ-UHFFFAOYSA-N	0	0	193.241	3.446	10	0		AGAERN
Cc1cccc(-c2ccccc2)c1	575191203	352196934	/nfs/dbraw/zinc/19/69/34/352196934.db2.gz	OZSCSYAGONJWDA-UHFFFAOYSA-N	0	0	167.231	3.308	10	0		AGAERN
CC(C)CCOc1cccc(F)c1F	575191276	352196946	/nfs/dbraw/zinc/19/69/46/352196946.db2.gz	XNPWRSDEMHNBLJ-UHFFFAOYSA-N	0	0	199.220	3.457	10	0		AGAERN
Fc1cccc(OC2CCCCC2)c1	575191213	352196948	/nfs/dbraw/zinc/19/69/48/352196948.db2.gz	QJIHEIIFGACILR-UHFFFAOYSA-N	0	0	193.241	3.446	10	0		AGAERN
Cc1cc(F)ccc1-c1ccccc1	575191251	352196956	/nfs/dbraw/zinc/19/69/56/352196956.db2.gz	UWQPUMANBVWNHB-UHFFFAOYSA-N	0	0	185.221	3.447	10	0		AGAERN
Cc1ccc(-c2ccccc2)cc1F	575191279	352196965	/nfs/dbraw/zinc/19/69/65/352196965.db2.gz	YJPITIWTUNDWBB-UHFFFAOYSA-N	0	0	185.221	3.447	10	0		AGAERN
Cc1ccc(F)cc1-c1ccccc1	575191227	352196967	/nfs/dbraw/zinc/19/69/67/352196967.db2.gz	SHZQYSALXJVMQP-UHFFFAOYSA-N	0	0	185.221	3.447	10	0		AGAERN
COc1cccc(-c2ccccc2)c1	575191224	352197021	/nfs/dbraw/zinc/19/70/21/352197021.db2.gz	SELAGFACBMEGIL-UHFFFAOYSA-N	0	0	183.230	3.008	10	0		AGAERN
Cc1ccccc1OCCC(C)C	575191204	352196980	/nfs/dbraw/zinc/19/69/80/352196980.db2.gz	PGOZBMWAIKHJAJ-UHFFFAOYSA-N	0	0	177.267	3.252	10	0		AGAERN
Fc1ccccc1COC1CCCC1	575191254	352196993	/nfs/dbraw/zinc/19/69/93/352196993.db2.gz	UZIFMMIDERHHQN-UHFFFAOYSA-N	0	0	193.241	3.098	10	0		AGAERN
CCCCCOCc1cccc(F)c1	575191222	352197003	/nfs/dbraw/zinc/19/70/03/352197003.db2.gz	RPSQJPCWOZOREI-UHFFFAOYSA-N	0	0	195.257	3.346	10	0		AGAERN
c1ccc(OC2CCCCC2)cc1	575191283	352197018	/nfs/dbraw/zinc/19/70/18/352197018.db2.gz	YRJMMLJZMBKJLB-UHFFFAOYSA-N	0	0	175.251	3.149	10	0		AGAERN
Cc1ccc(C(F)(F)F)c(Cl)c1	575356872	352197624	/nfs/dbraw/zinc/19/76/24/352197624.db2.gz	JBSMHKSUWWAKGS-UHFFFAOYSA-N	0	0	193.575	3.361	10	0		AGAERN
CC(C)(F)c1ccccc1F	575433809	352201551	/nfs/dbraw/zinc/20/15/51/352201551.db2.gz	KNERLXKNHCEZEO-UHFFFAOYSA-N	0	0	156.175	3.030	10	0		AGAERN
FC1(c2cccnc2Cl)CCC1	575433871	352201658	/nfs/dbraw/zinc/20/16/58/352201658.db2.gz	RMGUYKMFVCHKGR-UHFFFAOYSA-N	0	0	185.629	3.084	10	0		AGAERN
FC1(c2cccnc2Cl)CCCC1	575433798	352201786	/nfs/dbraw/zinc/20/17/86/352201786.db2.gz	KCWXSFVDVDKLQA-UHFFFAOYSA-N	0	0	199.656	3.474	10	0		AGAERN
FC(F)c1cccc2cnsc12	575441932	352206093	/nfs/dbraw/zinc/20/60/93/352206093.db2.gz	GGRRIGCQYQEQSN-UHFFFAOYSA-N	0	0	185.198	3.234	10	0		AGAERN
FC(F)c1ccc2cnsc2c1	575442298	352206145	/nfs/dbraw/zinc/20/61/45/352206145.db2.gz	SNKWVOLQKXBWQN-UHFFFAOYSA-N	0	0	185.198	3.234	10	0		AGAERN
C[C@@H]1CCCC[C@H]1C(=O)C(C)(C)F	575450612	352210302	/nfs/dbraw/zinc/21/03/02/352210302.db2.gz	OWMZHKXBELITCQ-RKDXNWHRSA-N	0	0	186.270	3.130	10	0		AGAERN
C[C@H]1CCCC[C@H]1C(=O)C(C)(C)F	575450609	352210443	/nfs/dbraw/zinc/21/04/43/352210443.db2.gz	OWMZHKXBELITCQ-DTWKUNHWSA-N	0	0	186.270	3.130	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1C(=O)C(C)(C)F	575450608	352210517	/nfs/dbraw/zinc/21/05/17/352210517.db2.gz	OWMZHKXBELITCQ-BDAKNGLRSA-N	0	0	186.270	3.130	10	0		AGAERN
C[C@H]1CCCC[C@@H]1C(=O)C(C)(C)F	575450611	352210542	/nfs/dbraw/zinc/21/05/42/352210542.db2.gz	OWMZHKXBELITCQ-IUCAKERBSA-N	0	0	186.270	3.130	10	0		AGAERN
Oc1ccc(NC2CCC2)c(Cl)c1	575450841	352211990	/nfs/dbraw/zinc/21/19/90/352211990.db2.gz	PCJOXZITPCOYOM-UHFFFAOYSA-N	0	0	197.665	3.010	10	0		AGAERN
c1cc(NC2CC2)cc(C2CC2)c1	575451789	352215408	/nfs/dbraw/zinc/21/54/08/352215408.db2.gz	HLXNMCHBKJMWMV-UHFFFAOYSA-N	0	0	173.259	3.138	10	0		AGAERN
CNc1cccc(SC(F)F)c1	575453441	352220798	/nfs/dbraw/zinc/22/07/98/352220798.db2.gz	MDKSRUDHAMKWPV-UHFFFAOYSA-N	0	0	189.230	3.043	10	0		AGAERN
Clc1nc2c(s1)[C@H]1CC[C@@H](C2)C1	575453630	352221123	/nfs/dbraw/zinc/22/11/23/352221123.db2.gz	HOJZHXAGHSUQPY-RITPCOANSA-N	0	0	199.706	3.236	10	0		AGAERN
Nc1cccc(C2=CCCC2)c1Cl	575455923	352227499	/nfs/dbraw/zinc/22/74/99/352227499.db2.gz	MTJMBWKQJWGSBM-UHFFFAOYSA-N	0	0	193.677	3.490	10	0		AGAERN
Cc1ccccc1NCC(C)(F)F	575456767	352231855	/nfs/dbraw/zinc/23/18/55/352231855.db2.gz	PDEQXFJEECAWNH-UHFFFAOYSA-N	0	0	185.217	3.062	10	0		AGAERN
CN1C(=S)Cc2ccc(Cl)cc21	575459094	352239109	/nfs/dbraw/zinc/23/91/09/352239109.db2.gz	FWKCELKMXBYAKC-UHFFFAOYSA-N	0	0	197.690	3.120	10	0		AGAERN
Cc1ccc(-c2cccs2)c(O)c1	575460843	352244444	/nfs/dbraw/zinc/24/44/44/352244444.db2.gz	YQDNEFSNJFIMBA-UHFFFAOYSA-N	0	0	190.267	3.429	10	0		AGAERN
Fc1cc(-c2ccsc2)cnc1F	575462826	352253239	/nfs/dbraw/zinc/25/32/39/352253239.db2.gz	CQYVBVIFTRPLGB-UHFFFAOYSA-N	0	0	197.209	3.088	10	0		AGAERN
CCc1cc(Cl)c(CC)cc1N	575464402	352259098	/nfs/dbraw/zinc/25/90/98/352259098.db2.gz	FYEFTCHRDLBTKV-UHFFFAOYSA-N	0	0	183.682	3.047	10	0		AGAERN
C1=C[C@H]2C[C@@H]1C[C@@H]2Nc1ccsc1	575465283	352262472	/nfs/dbraw/zinc/26/24/72/352262472.db2.gz	ACFKBKFMABTZBN-YWVKMMECSA-N	0	0	191.299	3.125	10	0		AGAERN
C1=C[C@H]2C[C@@H]1C[C@H]2Nc1ccsc1	575465269	352262530	/nfs/dbraw/zinc/26/25/30/352262530.db2.gz	ACFKBKFMABTZBN-WCABBAIRSA-N	0	0	191.299	3.125	10	0		AGAERN
C[C@@H](Nc1ccccc1)C1(Cl)CC1	575465892	352265109	/nfs/dbraw/zinc/26/51/09/352265109.db2.gz	CTYSZUJDFXJBEH-SECBINFHSA-N	0	0	195.693	3.258	10	0		AGAERN
C[C@H](Nc1ccccc1)C1(Cl)CC1	575465893	352265335	/nfs/dbraw/zinc/26/53/35/352265335.db2.gz	CTYSZUJDFXJBEH-VIFPVBQESA-N	0	0	195.693	3.258	10	0		AGAERN
c1cc(C2CC2)ccc1NC1CC1	575465997	352265494	/nfs/dbraw/zinc/26/54/94/352265494.db2.gz	QWADXSMJOFPINZ-UHFFFAOYSA-N	0	0	173.259	3.138	10	0		AGAERN
Cc1cscc1NCC1CC=CC1	575467994	352272438	/nfs/dbraw/zinc/27/24/38/352272438.db2.gz	JBMSWBNUVPOSGE-UHFFFAOYSA-N	0	0	193.315	3.435	10	0		AGAERN
Clc1nc(C2(Cl)CC2)cs1	575468653	352275690	/nfs/dbraw/zinc/27/56/90/352275690.db2.gz	AYRNFLAEMFAKFQ-UHFFFAOYSA-N	0	0	194.086	3.024	10	0		AGAERN
C/C=C/[C@H]([NH3+])c1cc(Cl)ccc1F	575469305	352278621	/nfs/dbraw/zinc/27/86/21/352278621.db2.gz	FKWVHLCRDNPCJK-PBKGFPTLSA-N	0	0	199.656	3.055	10	0		AGAERN
C/C=C/[C@@H]([NH3+])c1cc(Cl)ccc1F	575469310	352278850	/nfs/dbraw/zinc/27/88/50/352278850.db2.gz	FKWVHLCRDNPCJK-VMZHVLLKSA-N	0	0	199.656	3.055	10	0		AGAERN
Cc1cscc1NCC(C)(F)F	575469334	352279493	/nfs/dbraw/zinc/27/94/93/352279493.db2.gz	KIDKAEQMECTQMU-UHFFFAOYSA-N	0	0	191.246	3.124	10	0		AGAERN
Cc1c(Cl)ccc2cc(C=O)oc12	575471305	352286803	/nfs/dbraw/zinc/28/68/03/352286803.db2.gz	QCOKULRIBNPCSC-UHFFFAOYSA-N	0	0	194.617	3.207	10	0		AGAERN
O=C1CCC(C2=CCCCC2)CC1	575475445	352292532	/nfs/dbraw/zinc/29/25/32/352292532.db2.gz	OONFYDDBBRCXIB-UHFFFAOYSA-N	0	0	178.275	3.246	10	0		AGAERN
Cc1sccc1C1CCC(=O)CC1	575475389	352292570	/nfs/dbraw/zinc/29/25/70/352292570.db2.gz	CTLOJUITHIMOCP-UHFFFAOYSA-N	0	0	194.299	3.283	10	0		AGAERN
C[C@@H]1CCNc2c1ccc(F)c2Cl	575478230	352294707	/nfs/dbraw/zinc/29/47/07/352294707.db2.gz	NQDAKFCCGBFZFF-ZCFIWIBFSA-N	0	0	199.656	3.398	10	0		AGAERN
CC1(C)CNc2c1ccc(F)c2Cl	575478274	352294608	/nfs/dbraw/zinc/29/46/08/352294608.db2.gz	YVJVBUYHHMKGDS-UHFFFAOYSA-N	0	0	199.656	3.182	10	0		AGAERN
CCCNc1cccc(F)c1Cl	575478238	352294627	/nfs/dbraw/zinc/29/46/27/352294627.db2.gz	OUTQRPMWDXHQCP-UHFFFAOYSA-N	0	0	187.645	3.301	10	0		AGAERN
CCc1cc(C)cc(CC)c1NC	575478280	352294736	/nfs/dbraw/zinc/29/47/36/352294736.db2.gz	ZYGFVXAQLFTRSP-UHFFFAOYSA-N	0	0	177.291	3.162	10	0		AGAERN
C/C=C/CNc1cccc(F)c1Cl	575478197	352294778	/nfs/dbraw/zinc/29/47/78/352294778.db2.gz	FLQFVNYXRGSSPU-NSCUHMNNSA-N	0	0	199.656	3.467	10	0		AGAERN
C[C@H]1CCNc2c1ccc(F)c2Cl	575478229	352294890	/nfs/dbraw/zinc/29/48/90/352294890.db2.gz	NQDAKFCCGBFZFF-LURJTMIESA-N	0	0	199.656	3.398	10	0		AGAERN
Fc1cccc(NC2CC2)c1Cl	575478259	352294917	/nfs/dbraw/zinc/29/49/17/352294917.db2.gz	VLGPAPXTUKWFPT-UHFFFAOYSA-N	0	0	185.629	3.053	10	0		AGAERN
Fc1cccc(NC2CCC2)c1Cl	575478198	352294946	/nfs/dbraw/zinc/29/49/46/352294946.db2.gz	FNTFSVLGQYEODW-UHFFFAOYSA-N	0	0	199.656	3.444	10	0		AGAERN
Cc1cccc(-c2cccs2)c1N	575478492	352295962	/nfs/dbraw/zinc/29/59/62/352295962.db2.gz	AMYXKIVFIGCSFZ-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
Cc1cccc(-c2ccsc2)c1N	575478924	352298124	/nfs/dbraw/zinc/29/81/24/352298124.db2.gz	DETAERGBKGPGRM-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
CCc1ccc(NC2CC2)cc1Cl	575479484	352300450	/nfs/dbraw/zinc/30/04/50/352300450.db2.gz	GMZXTUKMESQVNV-UHFFFAOYSA-N	0	0	195.693	3.477	10	0		AGAERN
CC(C)Cc1cccc(N)c1Cl	575479665	352301049	/nfs/dbraw/zinc/30/10/49/352301049.db2.gz	HUBQQSLXKGOXKZ-UHFFFAOYSA-N	0	0	183.682	3.121	10	0		AGAERN
Nc1cccc(-c2ccoc2)c1Cl	575481035	352308970	/nfs/dbraw/zinc/30/89/70/352308970.db2.gz	PORNIFIYIOQZPF-UHFFFAOYSA-N	0	0	193.633	3.182	10	0		AGAERN
CC(C)Nc1cccc(C2CC2)c1	575481204	352309475	/nfs/dbraw/zinc/30/94/75/352309475.db2.gz	QFXCQSYXBHQSNU-UHFFFAOYSA-N	0	0	175.275	3.384	10	0		AGAERN
Cc1cc2c(c(C)c1Cl)CCCN2	575481414	352310924	/nfs/dbraw/zinc/31/09/24/352310924.db2.gz	RXRKSJMRSTVQPX-UHFFFAOYSA-N	0	0	195.693	3.315	10	0		AGAERN
CCc1cc2c(cc1Cl)NCCC2	575482352	352315194	/nfs/dbraw/zinc/31/51/94/352315194.db2.gz	WFMZLOGUKOXUTE-UHFFFAOYSA-N	0	0	195.693	3.261	10	0		AGAERN
C1=CCC(CNc2ccsc2)C1	575483168	352320312	/nfs/dbraw/zinc/32/03/12/352320312.db2.gz	NEVKGCFGZZHLMZ-UHFFFAOYSA-N	0	0	179.288	3.126	10	0		AGAERN
Cc1ccsc1C(=O)C1CC(C)C1	575485913	352333416	/nfs/dbraw/zinc/33/34/16/352333416.db2.gz	CNCXREGCXNOIOZ-UHFFFAOYSA-N	0	0	194.299	3.285	10	0		AGAERN
Cc1csc(NC(C)(C)C(C)C)n1	575487066	352340472	/nfs/dbraw/zinc/34/04/72/352340472.db2.gz	KKNPOXLKFXFMRJ-UHFFFAOYSA-N	0	0	198.335	3.298	10	0		AGAERN
Cc1ccc(C(=O)C2CC(C)C2)s1	575487028	352340563	/nfs/dbraw/zinc/34/05/63/352340563.db2.gz	NMMUYIBDSIUZAQ-UHFFFAOYSA-N	0	0	194.299	3.285	10	0		AGAERN
CC(C)(C)C(=O)C1CC2(CCC2)C1	575487182	352341209	/nfs/dbraw/zinc/34/12/09/352341209.db2.gz	QRNDOXCSALVTRC-UHFFFAOYSA-N	0	0	180.291	3.182	10	0		AGAERN
CC(C)[C@H](C)Nc1cncc(Cl)c1	575487242	352341825	/nfs/dbraw/zinc/34/18/25/352341825.db2.gz	ARWADMAQBCMHET-QMMMGPOBSA-N	0	0	198.697	3.191	10	0		AGAERN
CC(C)[C@@H](C)Nc1cncc(Cl)c1	575487241	352341960	/nfs/dbraw/zinc/34/19/60/352341960.db2.gz	ARWADMAQBCMHET-MRVPVSSYSA-N	0	0	198.697	3.191	10	0		AGAERN
CC(C)=CCNc1cncc(Cl)c1	575487434	352342845	/nfs/dbraw/zinc/34/28/45/352342845.db2.gz	CMTUTMOYSJJDMQ-UHFFFAOYSA-N	0	0	196.681	3.113	10	0		AGAERN
Cc1ccsc1C(=O)[C@@H]1CC12CC2	575487497	352343221	/nfs/dbraw/zinc/34/32/21/352343221.db2.gz	MOAANKZRSHOMLS-QMMMGPOBSA-N	0	0	192.283	3.039	10	0		AGAERN
Cc1ccsc1C(=O)[C@H]1CC12CC2	575487477	352343549	/nfs/dbraw/zinc/34/35/49/352343549.db2.gz	MOAANKZRSHOMLS-MRVPVSSYSA-N	0	0	192.283	3.039	10	0		AGAERN
Cc1sccc1C(=O)[C@H]1CC12CC2	575487851	352345210	/nfs/dbraw/zinc/34/52/10/352345210.db2.gz	NTUJEZJKYQUPKP-SECBINFHSA-N	0	0	192.283	3.039	10	0		AGAERN
Cc1sccc1C(=O)[C@@H]1CC12CC2	575487857	352345497	/nfs/dbraw/zinc/34/54/97/352345497.db2.gz	NTUJEZJKYQUPKP-VIFPVBQESA-N	0	0	192.283	3.039	10	0		AGAERN
Cc1ccc(C(=O)[C@@H]2CC23CC3)s1	575488219	352347471	/nfs/dbraw/zinc/34/74/71/352347471.db2.gz	QEUBTJLKLNYDPA-QMMMGPOBSA-N	0	0	192.283	3.039	10	0		AGAERN
Cc1ccc(C(=O)[C@H]2CC23CC3)s1	575488218	352347540	/nfs/dbraw/zinc/34/75/40/352347540.db2.gz	QEUBTJLKLNYDPA-MRVPVSSYSA-N	0	0	192.283	3.039	10	0		AGAERN
C/C=C/CNc1cncc(Cl)c1C	575488504	352348681	/nfs/dbraw/zinc/34/86/81/352348681.db2.gz	NDFAOXGXYJEYEJ-ONEGZZNKSA-N	0	0	196.681	3.031	10	0		AGAERN
Cc1cc(C(=O)[C@@H]2CC23CC3)cs1	575488524	352349304	/nfs/dbraw/zinc/34/93/04/352349304.db2.gz	SPVITGLGHAXQHH-VIFPVBQESA-N	0	0	192.283	3.039	10	0		AGAERN
CC(C)(C)CNc1cncc(Cl)c1	575489018	352351299	/nfs/dbraw/zinc/35/12/99/352351299.db2.gz	VRJVENYWGPTENR-UHFFFAOYSA-N	0	0	198.697	3.193	10	0		AGAERN
CC[C@H](C)Nc1cncc(Cl)c1C	575489116	352352062	/nfs/dbraw/zinc/35/20/62/352352062.db2.gz	YWYKFVKRJMWLQY-ZETCQYMHSA-N	0	0	198.697	3.254	10	0		AGAERN
CC[C@@H](C)Nc1cncc(Cl)c1C	575489115	352352087	/nfs/dbraw/zinc/35/20/87/352352087.db2.gz	YWYKFVKRJMWLQY-SSDOTTSWSA-N	0	0	198.697	3.254	10	0		AGAERN
CC(C)C(=O)[C@@H]1CCCCC[C@@H]1C	575489526	352353816	/nfs/dbraw/zinc/35/38/16/352353816.db2.gz	JTXGHPPYYMXPQV-WDEREUQCSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)C(=O)[C@H]1CCCCC[C@H]1C	575489523	352353848	/nfs/dbraw/zinc/35/38/48/352353848.db2.gz	JTXGHPPYYMXPQV-MNOVXSKESA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)C(=O)[C@@H]1CCCCC[C@H]1C	575489514	352354047	/nfs/dbraw/zinc/35/40/47/352354047.db2.gz	JTXGHPPYYMXPQV-GHMZBOCLSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(C)C(=O)[C@H]1CCCCC[C@@H]1C	575489524	352354106	/nfs/dbraw/zinc/35/41/06/352354106.db2.gz	JTXGHPPYYMXPQV-QWRGUYRKSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)[C@@H]1CCCCC[C@@H]1C(C)C	575490036	352355264	/nfs/dbraw/zinc/35/52/64/352355264.db2.gz	SCBBFWKPWCUMIS-NEPJUHHUSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)[C@H]1CCCCC[C@@H]1C(C)C	575490039	352355388	/nfs/dbraw/zinc/35/53/88/352355388.db2.gz	SCBBFWKPWCUMIS-VXGBXAGGSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)[C@H]1CCCCC[C@H]1C(C)C	575490037	352355569	/nfs/dbraw/zinc/35/55/69/352355569.db2.gz	SCBBFWKPWCUMIS-NWDGAFQWSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)[C@@H]1CCCCC[C@H]1C(C)C	575490038	352355607	/nfs/dbraw/zinc/35/56/07/352355607.db2.gz	SCBBFWKPWCUMIS-RYUDHWBXSA-N	0	0	182.307	3.428	10	0		AGAERN
CC1CC(C(=O)C2CCCCC2)C1	575490803	352358676	/nfs/dbraw/zinc/35/86/76/352358676.db2.gz	MACVGSCQSKSHIT-UHFFFAOYSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1sccc1C(=O)C1CC(C)C1	575491380	352362156	/nfs/dbraw/zinc/36/21/56/352362156.db2.gz	VAJQOWXMYNFJKS-UHFFFAOYSA-N	0	0	194.299	3.285	10	0		AGAERN
CC1(CNc2cnsc2)CCCC1	575493074	352370859	/nfs/dbraw/zinc/37/08/59/352370859.db2.gz	OCSTWXATQJQQCM-UHFFFAOYSA-N	0	0	196.319	3.135	10	0		AGAERN
c1nscc1NC1CCCCCC1	575493402	352372078	/nfs/dbraw/zinc/37/20/78/352372078.db2.gz	GSGTZCXUXAGMJR-UHFFFAOYSA-N	0	0	196.319	3.278	10	0		AGAERN
c1nscc1NCC1CCCCC1	575493424	352372968	/nfs/dbraw/zinc/37/29/68/352372968.db2.gz	HVTIETCBWKAZIP-UHFFFAOYSA-N	0	0	196.319	3.135	10	0		AGAERN
C[C@H]1CCC[C@H](Nc2cnsc2)C1	575493716	352374114	/nfs/dbraw/zinc/37/41/14/352374114.db2.gz	JCHSRQMPLFMZBK-IUCAKERBSA-N	0	0	196.319	3.134	10	0		AGAERN
C[C@@H]1CCC[C@@H](Nc2cnsc2)C1	575493717	352374176	/nfs/dbraw/zinc/37/41/76/352374176.db2.gz	JCHSRQMPLFMZBK-RKDXNWHRSA-N	0	0	196.319	3.134	10	0		AGAERN
C[C@@H]1CCC[C@H](Nc2cnsc2)C1	575493704	352374179	/nfs/dbraw/zinc/37/41/79/352374179.db2.gz	JCHSRQMPLFMZBK-BDAKNGLRSA-N	0	0	196.319	3.134	10	0		AGAERN
C[C@H]1CCC[C@@H](Nc2cnsc2)C1	575493714	352374211	/nfs/dbraw/zinc/37/42/11/352374211.db2.gz	JCHSRQMPLFMZBK-DTWKUNHWSA-N	0	0	196.319	3.134	10	0		AGAERN
C[C@@H]1CCCC[C@H]1Nc1cnsc1	575493764	352374340	/nfs/dbraw/zinc/37/43/40/352374340.db2.gz	LUCLFMGOZHGVGV-PSASIEDQSA-N	0	0	196.319	3.134	10	0		AGAERN
CC[C@H]1CC[C@H](Nc2cnsc2)C1	575493722	352374391	/nfs/dbraw/zinc/37/43/91/352374391.db2.gz	JKSPFRBKBRLJJQ-IUCAKERBSA-N	0	0	196.319	3.134	10	0		AGAERN
C[C@H]1CCCC[C@H]1Nc1cnsc1	575493770	352374405	/nfs/dbraw/zinc/37/44/05/352374405.db2.gz	LUCLFMGOZHGVGV-WCBMZHEXSA-N	0	0	196.319	3.134	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1Nc1cnsc1	575493765	352374426	/nfs/dbraw/zinc/37/44/26/352374426.db2.gz	LUCLFMGOZHGVGV-SCZZXKLOSA-N	0	0	196.319	3.134	10	0		AGAERN
CC[C@@H]1CC[C@H](Nc2cnsc2)C1	575493720	352374455	/nfs/dbraw/zinc/37/44/55/352374455.db2.gz	JKSPFRBKBRLJJQ-BDAKNGLRSA-N	0	0	196.319	3.134	10	0		AGAERN
C[C@H]1CCCC[C@@H]1Nc1cnsc1	575493772	352374484	/nfs/dbraw/zinc/37/44/84/352374484.db2.gz	LUCLFMGOZHGVGV-WPRPVWTQSA-N	0	0	196.319	3.134	10	0		AGAERN
CC[C@H]1CC[C@@H](Nc2cnsc2)C1	575493721	352374504	/nfs/dbraw/zinc/37/45/04/352374504.db2.gz	JKSPFRBKBRLJJQ-DTWKUNHWSA-N	0	0	196.319	3.134	10	0		AGAERN
CC[C@@H]1CC[C@@H](Nc2cnsc2)C1	575493725	352374520	/nfs/dbraw/zinc/37/45/20/352374520.db2.gz	JKSPFRBKBRLJJQ-RKDXNWHRSA-N	0	0	196.319	3.134	10	0		AGAERN
CC1CCC(Nc2cnsc2)CC1	575493891	352374869	/nfs/dbraw/zinc/37/48/69/352374869.db2.gz	PIXLTNQUWKRFOP-UHFFFAOYSA-N	0	0	196.319	3.134	10	0		AGAERN
CC1(C)CCC[C@@H]1Nc1cnsc1	575494255	352377313	/nfs/dbraw/zinc/37/73/13/352377313.db2.gz	YWJAJXREQKGABB-VIFPVBQESA-N	0	0	196.319	3.134	10	0		AGAERN
CC[C@@H]1CCC[C@H]1Nc1cnsc1	575493932	352375541	/nfs/dbraw/zinc/37/55/41/352375541.db2.gz	QLIYDOBDBGKKQY-PSASIEDQSA-N	0	0	196.319	3.134	10	0		AGAERN
CC[C@H]1CCC[C@@H]1Nc1cnsc1	575493935	352375586	/nfs/dbraw/zinc/37/55/86/352375586.db2.gz	QLIYDOBDBGKKQY-WPRPVWTQSA-N	0	0	196.319	3.134	10	0		AGAERN
CC[C@@H]1CCC[C@@H]1Nc1cnsc1	575493933	352375663	/nfs/dbraw/zinc/37/56/63/352375663.db2.gz	QLIYDOBDBGKKQY-SCZZXKLOSA-N	0	0	196.319	3.134	10	0		AGAERN
CC[C@H]1CCC[C@H]1Nc1cnsc1	575493934	352375957	/nfs/dbraw/zinc/37/59/57/352375957.db2.gz	QLIYDOBDBGKKQY-WCBMZHEXSA-N	0	0	196.319	3.134	10	0		AGAERN
C[C@@H](Nc1cnsc1)C1CCCC1	575494125	352376684	/nfs/dbraw/zinc/37/66/84/352376684.db2.gz	RHCQQQHNTYVYER-MRVPVSSYSA-N	0	0	196.319	3.134	10	0		AGAERN
C[C@H](Nc1cnsc1)C1CCCC1	575494129	352377176	/nfs/dbraw/zinc/37/71/76/352377176.db2.gz	RHCQQQHNTYVYER-QMMMGPOBSA-N	0	0	196.319	3.134	10	0		AGAERN
CC1(C)CCC[C@H]1Nc1cnsc1	575494254	352377201	/nfs/dbraw/zinc/37/72/01/352377201.db2.gz	YWJAJXREQKGABB-SECBINFHSA-N	0	0	196.319	3.134	10	0		AGAERN
CC1(C)CC[C@@H](Nc2cnsc2)C1	575494256	352377994	/nfs/dbraw/zinc/37/79/94/352377994.db2.gz	ZDNICQIHBLWJCA-MRVPVSSYSA-N	0	0	196.319	3.134	10	0		AGAERN
CC1(C)CC[C@H](Nc2cnsc2)C1	575494261	352378029	/nfs/dbraw/zinc/37/80/29/352378029.db2.gz	ZDNICQIHBLWJCA-QMMMGPOBSA-N	0	0	196.319	3.134	10	0		AGAERN
CC[C@H](C)Nc1ncc(Cl)cc1C	575495846	352383477	/nfs/dbraw/zinc/38/34/77/352383477.db2.gz	CRKRPIMSYLIMFU-QMMMGPOBSA-N	0	0	198.697	3.254	10	0		AGAERN
CC[C@@H](C)Nc1ncc(Cl)cc1C	575495845	352383539	/nfs/dbraw/zinc/38/35/39/352383539.db2.gz	CRKRPIMSYLIMFU-MRVPVSSYSA-N	0	0	198.697	3.254	10	0		AGAERN
Cc1cc(Cl)cnc1NC(C)(C)C	575495951	352384203	/nfs/dbraw/zinc/38/42/03/352384203.db2.gz	GLXMCEURRMLBSM-UHFFFAOYSA-N	0	0	198.697	3.254	10	0		AGAERN
Cc1cc(Cl)cnc1NC1CCC1	575496125	352384581	/nfs/dbraw/zinc/38/45/81/352384581.db2.gz	JUCISRUBCGUFHA-UHFFFAOYSA-N	0	0	196.681	3.008	10	0		AGAERN
CC(C)(C)C(=O)[C@@H]1CCC[C@H]2C[C@H]21	575496316	352385211	/nfs/dbraw/zinc/38/52/11/352385211.db2.gz	LPPGUHZOOHBXJN-IVZWLZJFSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(C)(C)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21	575496314	352385560	/nfs/dbraw/zinc/38/55/60/352385560.db2.gz	LPPGUHZOOHBXJN-BBBLOLIVSA-N	0	0	180.291	3.038	10	0		AGAERN
Cc1cc(Cl)cnc1NC1(C)CC1	575497074	352388265	/nfs/dbraw/zinc/38/82/65/352388265.db2.gz	VMMGLVNFJNZQFV-UHFFFAOYSA-N	0	0	196.681	3.008	10	0		AGAERN
O=C1CCCC[C@@H]1CC1CC=CC1	575500046	352404438	/nfs/dbraw/zinc/40/44/38/352404438.db2.gz	CGOSJHHCWMDUDL-LLVKDONJSA-N	0	0	178.275	3.102	10	0		AGAERN
O=C1CCCC[C@H]1CC1CC=CC1	575500047	352404490	/nfs/dbraw/zinc/40/44/90/352404490.db2.gz	CGOSJHHCWMDUDL-NSHDSACASA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@]1(CC2CC=CC2)CCC(=O)C1	575504737	352428118	/nfs/dbraw/zinc/42/81/18/352428118.db2.gz	MZAXXIKPLLUQIV-GFCCVEGCSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@@]1(CC2CC=CC2)CCC(=O)C1	575504739	352428375	/nfs/dbraw/zinc/42/83/75/352428375.db2.gz	MZAXXIKPLLUQIV-LBPRGKRZSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)C(=O)[C@@H]1CCC12CCCC2	575505325	352430109	/nfs/dbraw/zinc/43/01/09/352430109.db2.gz	SPPJYEPLYHHEQY-JTQLQIEISA-N	0	0	180.291	3.182	10	0		AGAERN
CCC(=O)[C@H]1CCC12CCCCC2	575505218	352430405	/nfs/dbraw/zinc/43/04/05/352430405.db2.gz	NLZNEDIDVSUTAM-SNVBAGLBSA-N	0	0	180.291	3.326	10	0		AGAERN
CCC(=O)[C@@H]1CCC12CCCCC2	575505217	352430408	/nfs/dbraw/zinc/43/04/08/352430408.db2.gz	NLZNEDIDVSUTAM-JTQLQIEISA-N	0	0	180.291	3.326	10	0		AGAERN
CC(C)C(=O)[C@H]1CCC12CCCC2	575505326	352430773	/nfs/dbraw/zinc/43/07/73/352430773.db2.gz	SPPJYEPLYHHEQY-SNVBAGLBSA-N	0	0	180.291	3.182	10	0		AGAERN
O=C1CCC[C@@H](CC2CC=CC2)C1	575505373	352430804	/nfs/dbraw/zinc/43/08/04/352430804.db2.gz	ZHBYZVGJXMWDCO-NSHDSACASA-N	0	0	178.275	3.102	10	0		AGAERN
O=C1CCC[C@H](CC2CC=CC2)C1	575505372	352430806	/nfs/dbraw/zinc/43/08/06/352430806.db2.gz	ZHBYZVGJXMWDCO-LLVKDONJSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)C(=O)[C@H]1CCCC2(CC2)C1	575511525	352466951	/nfs/dbraw/zinc/46/69/51/352466951.db2.gz	FQLGSYUCBUOHFF-JTQLQIEISA-N	0	0	180.291	3.182	10	0		AGAERN
CC(C)C(=O)[C@@H]1CCCC2(CC2)C1	575511526	352467134	/nfs/dbraw/zinc/46/71/34/352467134.db2.gz	FQLGSYUCBUOHFF-SNVBAGLBSA-N	0	0	180.291	3.182	10	0		AGAERN
Nc1cccc(-c2cccs2)c1F	575523053	352523999	/nfs/dbraw/zinc/52/39/99/352523999.db2.gz	FARWUMYSBUPAGC-UHFFFAOYSA-N	0	0	193.246	3.136	10	0		AGAERN
Nc1cccc(-c2ccsc2)c1F	575524021	352528462	/nfs/dbraw/zinc/52/84/62/352528462.db2.gz	PPGUCYRKPFIGTC-UHFFFAOYSA-N	0	0	193.246	3.136	10	0		AGAERN
CC1(C)CC(C(N)=S)CC(C)(C)C1	575524035	352528485	/nfs/dbraw/zinc/52/84/85/352528485.db2.gz	PWRYIXSEJJDOFA-UHFFFAOYSA-N	0	0	199.363	3.125	10	0		AGAERN
c1cc(NC[C@H]2C[C@@H]3C[C@@H]3C2)cs1	575528229	352547101	/nfs/dbraw/zinc/54/71/01/352547101.db2.gz	HZVTVYAPBYZCJP-ILWJIGKKSA-N	0	0	193.315	3.206	10	0		AGAERN
CC(C)(C)C(=O)[C@]12CCCC[C@H]1C2	575530204	352555217	/nfs/dbraw/zinc/55/52/17/352555217.db2.gz	CBCNZTYHRQXNGV-CABZTGNLSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1c(N)csc1C1CCCC1	575530099	352554839	/nfs/dbraw/zinc/55/48/39/352554839.db2.gz	BPMVUAKMVCHTEG-UHFFFAOYSA-N	0	0	181.304	3.296	10	0		AGAERN
CC(C)(C)C(=O)[C@@]12CCCC[C@@H]1C2	575530200	352555106	/nfs/dbraw/zinc/55/51/06/352555106.db2.gz	CBCNZTYHRQXNGV-BXKDBHETSA-N	0	0	180.291	3.182	10	0		AGAERN
O=C(c1ccsc1)[C@]12CCC[C@H]1C2	575531053	352559150	/nfs/dbraw/zinc/55/91/50/352559150.db2.gz	GVQHIUWUAGEBRP-ONGXEEELSA-N	0	0	192.283	3.121	10	0		AGAERN
O=C(c1ccsc1)[C@@]12CCC[C@@H]1C2	575531052	352559198	/nfs/dbraw/zinc/55/91/98/352559198.db2.gz	GVQHIUWUAGEBRP-MWLCHTKSSA-N	0	0	192.283	3.121	10	0		AGAERN
O=C(c1cccs1)[C@@]12CCC[C@@H]1C2	575532447	352566302	/nfs/dbraw/zinc/56/63/02/352566302.db2.gz	ODDCRIVWMHUDNL-LDYMZIIASA-N	0	0	192.283	3.121	10	0		AGAERN
O=C(c1cccs1)[C@]12CCC[C@H]1C2	575532446	352566446	/nfs/dbraw/zinc/56/64/46/352566446.db2.gz	ODDCRIVWMHUDNL-KWQFWETISA-N	0	0	192.283	3.121	10	0		AGAERN
CC(=O)c1cc2cscc2s1	575534408	352574761	/nfs/dbraw/zinc/57/47/61/352574761.db2.gz	OLCALDJCVGMNGK-UHFFFAOYSA-N	0	0	182.269	3.165	10	0		AGAERN
C[C@@H](Nc1ccsc1)C(F)(F)F	575534626	352576042	/nfs/dbraw/zinc/57/60/42/352576042.db2.gz	QRIBTBILZLMXQO-RXMQYKEDSA-N	0	0	195.209	3.111	10	0		AGAERN
C[C@H](Nc1ccsc1)C(F)(F)F	575534627	352576114	/nfs/dbraw/zinc/57/61/14/352576114.db2.gz	QRIBTBILZLMXQO-YFKPBYRVSA-N	0	0	195.209	3.111	10	0		AGAERN
CC(C)(C)C(=O)[C@H]1CCCC12CC2	575541480	352607743	/nfs/dbraw/zinc/60/77/43/352607743.db2.gz	GXNLISHPTMWQMA-SECBINFHSA-N	0	0	180.291	3.182	10	0		AGAERN
CC(C)(C)C(=O)[C@@H]1CCCC12CC2	575541482	352607946	/nfs/dbraw/zinc/60/79/46/352607946.db2.gz	GXNLISHPTMWQMA-VIFPVBQESA-N	0	0	180.291	3.182	10	0		AGAERN
c1cc(N[C@H]2CCCC23CC3)cs1	575541934	352609479	/nfs/dbraw/zinc/60/94/79/352609479.db2.gz	JEYRNMYOLLTWFL-JTQLQIEISA-N	0	0	193.315	3.493	10	0		AGAERN
c1cc(N[C@@H]2CCCC23CC3)cs1	575541937	352609720	/nfs/dbraw/zinc/60/97/20/352609720.db2.gz	JEYRNMYOLLTWFL-SNVBAGLBSA-N	0	0	193.315	3.493	10	0		AGAERN
Cc1csc(N[C@@H](C)C2(C)CC2)n1	575544817	352619289	/nfs/dbraw/zinc/61/92/89/352619289.db2.gz	IBLJURZHKQYIHE-QMMMGPOBSA-N	0	0	196.319	3.052	10	0		AGAERN
Cc1csc(N[C@H](C)C2(C)CC2)n1	575544806	352619306	/nfs/dbraw/zinc/61/93/06/352619306.db2.gz	IBLJURZHKQYIHE-MRVPVSSYSA-N	0	0	196.319	3.052	10	0		AGAERN
Cc1cscc1NC[C@@H]1CC12CC2	575544963	352620151	/nfs/dbraw/zinc/62/01/51/352620151.db2.gz	YHRZNYPHFYXPQH-VIFPVBQESA-N	0	0	193.315	3.269	10	0		AGAERN
Cc1cscc1NC[C@H]1CC12CC2	575544952	352620197	/nfs/dbraw/zinc/62/01/97/352620197.db2.gz	YHRZNYPHFYXPQH-SECBINFHSA-N	0	0	193.315	3.269	10	0		AGAERN
Cc1csc(N[C@@]2(C)CC2(C)C)n1	575545614	352621831	/nfs/dbraw/zinc/62/18/31/352621831.db2.gz	PKRUYUNWQSHPAR-JTQLQIEISA-N	0	0	196.319	3.052	10	0		AGAERN
Cc1csc(N[C@]2(C)CC2(C)C)n1	575545617	352621951	/nfs/dbraw/zinc/62/19/51/352621951.db2.gz	PKRUYUNWQSHPAR-SNVBAGLBSA-N	0	0	196.319	3.052	10	0		AGAERN
Cc1ccc(NCC(C)(F)F)cc1	575547280	352628532	/nfs/dbraw/zinc/62/85/32/352628532.db2.gz	YUUPXEXHQFUIBH-UHFFFAOYSA-N	0	0	185.217	3.062	10	0		AGAERN
CC1(C)C[C@]1(C)C(=O)c1ccsc1	575558888	352670310	/nfs/dbraw/zinc/67/03/10/352670310.db2.gz	DSZBEWJJMDNWMH-LLVKDONJSA-N	0	0	194.299	3.367	10	0		AGAERN
CC1(C)C[C@@]1(C)C(=O)c1ccsc1	575558896	352670363	/nfs/dbraw/zinc/67/03/63/352670363.db2.gz	DSZBEWJJMDNWMH-NSHDSACASA-N	0	0	194.299	3.367	10	0		AGAERN
CC(C)(C)C(=O)[C@]1(C)CC1(C)C	575560967	352679007	/nfs/dbraw/zinc/67/90/07/352679007.db2.gz	MDEMXXTUPXTQGA-NSHDSACASA-N	0	0	168.280	3.038	10	0		AGAERN
CC(F)(F)C[C@H]1CCCCCC1=O	575561024	352679055	/nfs/dbraw/zinc/67/90/55/352679055.db2.gz	NSKAFAJIIFNFBI-MRVPVSSYSA-N	0	0	190.233	3.181	10	0		AGAERN
CC(C)(C)C(=O)[C@@]1(C)CC1(C)C	575560966	352679113	/nfs/dbraw/zinc/67/91/13/352679113.db2.gz	MDEMXXTUPXTQGA-LLVKDONJSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(F)(F)C[C@@H]1CCCCCC1=O	575561033	352679969	/nfs/dbraw/zinc/67/99/69/352679969.db2.gz	NSKAFAJIIFNFBI-QMMMGPOBSA-N	0	0	190.233	3.181	10	0		AGAERN
CC1(C)C[C@]1(C)C(=O)c1cccs1	575561690	352682589	/nfs/dbraw/zinc/68/25/89/352682589.db2.gz	SRZNHGKZBFFOAC-LLVKDONJSA-N	0	0	194.299	3.367	10	0		AGAERN
CC1(C)C[C@@]1(C)C(=O)c1cccs1	575561691	352682718	/nfs/dbraw/zinc/68/27/18/352682718.db2.gz	SRZNHGKZBFFOAC-NSHDSACASA-N	0	0	194.299	3.367	10	0		AGAERN
C[C@H]1CCC(=O)[C@H](CC(C)(F)F)C1	575562155	352684634	/nfs/dbraw/zinc/68/46/34/352684634.db2.gz	YUNCEXRRRUBDDS-YUMQZZPRSA-N	0	0	190.233	3.037	10	0		AGAERN
C[C@@H]1CCC(=O)[C@H](CC(C)(F)F)C1	575562153	352684725	/nfs/dbraw/zinc/68/47/25/352684725.db2.gz	YUNCEXRRRUBDDS-SFYZADRCSA-N	0	0	190.233	3.037	10	0		AGAERN
C[C@@H]1CCC(=O)[C@@H](CC(C)(F)F)C1	575562147	352684792	/nfs/dbraw/zinc/68/47/92/352684792.db2.gz	YUNCEXRRRUBDDS-HTQZYQBOSA-N	0	0	190.233	3.037	10	0		AGAERN
C[C@H]1CCC(=O)[C@@H](CC(C)(F)F)C1	575562151	352684932	/nfs/dbraw/zinc/68/49/32/352684932.db2.gz	YUNCEXRRRUBDDS-JGVFFNPUSA-N	0	0	190.233	3.037	10	0		AGAERN
CC1(C)C[C@@]1(C)C(=O)C1CCCC1	575562293	352685409	/nfs/dbraw/zinc/68/54/09/352685409.db2.gz	YCLRKJCJEDPYFE-LBPRGKRZSA-N	0	0	180.291	3.182	10	0		AGAERN
CC1(C)C[C@]1(C)C(=O)C1CCCC1	575562290	352685465	/nfs/dbraw/zinc/68/54/65/352685465.db2.gz	YCLRKJCJEDPYFE-GFCCVEGCSA-N	0	0	180.291	3.182	10	0		AGAERN
c1scc2sc([C@H]3CO3)cc12	575564394	352695649	/nfs/dbraw/zinc/69/56/49/352695649.db2.gz	DCNBBCCGJSJHPT-ZCFIWIBFSA-N	0	0	182.269	3.034	10	0		AGAERN
c1scc2sc([C@@H]3CO3)cc12	575564392	352695675	/nfs/dbraw/zinc/69/56/75/352695675.db2.gz	DCNBBCCGJSJHPT-LURJTMIESA-N	0	0	182.269	3.034	10	0		AGAERN
Cc1cc(C(=O)[C@@]2(C)C[C@H]2C)cs1	575568885	352718354	/nfs/dbraw/zinc/71/83/54/352718354.db2.gz	AWCLSZXIHKOESB-HQJQHLMTSA-N	0	0	194.299	3.285	10	0		AGAERN
Cc1cc(C(=O)[C@]2(C)C[C@H]2C)cs1	575568894	352718487	/nfs/dbraw/zinc/71/84/87/352718487.db2.gz	AWCLSZXIHKOESB-RDDDGLTNSA-N	0	0	194.299	3.285	10	0		AGAERN
Cc1cc(C(=O)[C@]2(C)C[C@@H]2C)cs1	575568897	352718560	/nfs/dbraw/zinc/71/85/60/352718560.db2.gz	AWCLSZXIHKOESB-WRWORJQWSA-N	0	0	194.299	3.285	10	0		AGAERN
Cc1cc(C(=O)[C@@]2(C)C[C@@H]2C)cs1	575568882	352718633	/nfs/dbraw/zinc/71/86/33/352718633.db2.gz	AWCLSZXIHKOESB-CPCISQLKSA-N	0	0	194.299	3.285	10	0		AGAERN
CCC(C)(C)c1cc(Cl)cnc1N	575571622	352731814	/nfs/dbraw/zinc/73/18/14/352731814.db2.gz	NLXMXEINKCIUBK-UHFFFAOYSA-N	0	0	198.697	3.005	10	0		AGAERN
Cc1sccc1C(=O)[C@]1(C)C[C@H]1C	575572560	352736539	/nfs/dbraw/zinc/73/65/39/352736539.db2.gz	PMCNMDMEDFOAAJ-RDDDGLTNSA-N	0	0	194.299	3.285	10	0		AGAERN
Cc1sccc1C(=O)[C@@]1(C)C[C@H]1C	575572559	352736587	/nfs/dbraw/zinc/73/65/87/352736587.db2.gz	PMCNMDMEDFOAAJ-HQJQHLMTSA-N	0	0	194.299	3.285	10	0		AGAERN
Cc1sccc1C(=O)[C@]1(C)C[C@@H]1C	575572561	352736809	/nfs/dbraw/zinc/73/68/09/352736809.db2.gz	PMCNMDMEDFOAAJ-WRWORJQWSA-N	0	0	194.299	3.285	10	0		AGAERN
Cc1sccc1C(=O)[C@@]1(C)C[C@@H]1C	575572558	352736723	/nfs/dbraw/zinc/73/67/23/352736723.db2.gz	PMCNMDMEDFOAAJ-CPCISQLKSA-N	0	0	194.299	3.285	10	0		AGAERN
C[C@@H]1C[C@@]1(C)C(=O)C1CCCCC1	575572905	352738487	/nfs/dbraw/zinc/73/84/87/352738487.db2.gz	SDBRUFVAINDZAA-BXKDBHETSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@H]1C[C@]1(C)C(=O)C1CCCCC1	575573026	352739330	/nfs/dbraw/zinc/73/93/30/352739330.db2.gz	SDBRUFVAINDZAA-CABZTGNLSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1C[C@]1(C)C(=O)C1CCCCC1	575573031	352739363	/nfs/dbraw/zinc/73/93/63/352739363.db2.gz	SDBRUFVAINDZAA-SKDRFNHKSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@H]1C[C@@]1(C)C(=O)C1CCCCC1	575573029	352739588	/nfs/dbraw/zinc/73/95/88/352739588.db2.gz	SDBRUFVAINDZAA-JOYOIKCWSA-N	0	0	180.291	3.182	10	0		AGAERN
CC1(C)CC(C(=O)c2cccs2)C1	575575819	352754194	/nfs/dbraw/zinc/75/41/94/352754194.db2.gz	JFPAPIUQYKGNMD-UHFFFAOYSA-N	0	0	194.299	3.367	10	0		AGAERN
Cc1ccsc1C(=O)[C@@]1(C)C[C@H]1C	575578228	352765854	/nfs/dbraw/zinc/76/58/54/352765854.db2.gz	SVBMVQQXUVNWRX-KCJUWKMLSA-N	0	0	194.299	3.285	10	0		AGAERN
Cc1ccsc1C(=O)[C@]1(C)C[C@@H]1C	575578227	352765990	/nfs/dbraw/zinc/76/59/90/352765990.db2.gz	SVBMVQQXUVNWRX-GZMMTYOYSA-N	0	0	194.299	3.285	10	0		AGAERN
Cc1ccsc1C(=O)[C@]1(C)C[C@H]1C	575578234	352766060	/nfs/dbraw/zinc/76/60/60/352766060.db2.gz	SVBMVQQXUVNWRX-LDYMZIIASA-N	0	0	194.299	3.285	10	0		AGAERN
Cc1ccsc1C(=O)[C@@]1(C)C[C@@H]1C	575578232	352766135	/nfs/dbraw/zinc/76/61/35/352766135.db2.gz	SVBMVQQXUVNWRX-KWQFWETISA-N	0	0	194.299	3.285	10	0		AGAERN
CC1(C)CC(C(=O)C2CCCC2)C1	575578119	352766245	/nfs/dbraw/zinc/76/62/45/352766245.db2.gz	SBMUUWMIRDKMLD-UHFFFAOYSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1ccc(-c2ccsc2)c(O)c1	575578379	352767101	/nfs/dbraw/zinc/76/71/01/352767101.db2.gz	RHWWAUKYMAQXMN-UHFFFAOYSA-N	0	0	190.267	3.429	10	0		AGAERN
Cc1ccc(C(=O)[C@@]2(C)C[C@@H]2C)s1	575578985	352769948	/nfs/dbraw/zinc/76/99/48/352769948.db2.gz	VQFIRYPQLOGLBM-CPCISQLKSA-N	0	0	194.299	3.285	10	0		AGAERN
Cc1ccc(C(=O)[C@]2(C)C[C@H]2C)s1	575578987	352769976	/nfs/dbraw/zinc/76/99/76/352769976.db2.gz	VQFIRYPQLOGLBM-RDDDGLTNSA-N	0	0	194.299	3.285	10	0		AGAERN
Cc1ccc(C(=O)[C@]2(C)C[C@@H]2C)s1	575578998	352770124	/nfs/dbraw/zinc/77/01/24/352770124.db2.gz	VQFIRYPQLOGLBM-WRWORJQWSA-N	0	0	194.299	3.285	10	0		AGAERN
Cc1ccc(C(=O)[C@@]2(C)C[C@H]2C)s1	575578986	352770224	/nfs/dbraw/zinc/77/02/24/352770224.db2.gz	VQFIRYPQLOGLBM-HQJQHLMTSA-N	0	0	194.299	3.285	10	0		AGAERN
Cc1ccc(C2=CCCC2)c(O)c1	575578949	352770260	/nfs/dbraw/zinc/77/02/60/352770260.db2.gz	GEYKWORBAFBXMI-UHFFFAOYSA-N	0	0	174.243	3.268	10	0		AGAERN
CC1(C)CC(C(=O)c2ccsc2)C1	575579068	352770639	/nfs/dbraw/zinc/77/06/39/352770639.db2.gz	WGFHJTNTTPNCMI-UHFFFAOYSA-N	0	0	194.299	3.367	10	0		AGAERN
CC1(C)CC(C(=O)C(C)(C)C)C1	575579388	352771977	/nfs/dbraw/zinc/77/19/77/352771977.db2.gz	XVNMLTPMCJQUDZ-UHFFFAOYSA-N	0	0	168.280	3.038	10	0		AGAERN
Oc1c(F)cccc1-c1cccs1	575579942	352774493	/nfs/dbraw/zinc/77/44/93/352774493.db2.gz	PFPPJDOFMYGBMR-UHFFFAOYSA-N	0	0	194.230	3.260	10	0		AGAERN
Cc1c(Cl)cncc1NC1CCC1	575579911	352774502	/nfs/dbraw/zinc/77/45/02/352774502.db2.gz	OINXCXGHWGCRKY-UHFFFAOYSA-N	0	0	196.681	3.008	10	0		AGAERN
C[C@@H]1C[C@@]1(C)CNc1ccccc1	575581886	352784136	/nfs/dbraw/zinc/78/41/36/352784136.db2.gz	ABQKCAZDTMGDCR-PWSUYJOCSA-N	0	0	175.275	3.145	10	0		AGAERN
C[C@@H]1C[C@]1(C)CNc1ccccc1	575581888	352784183	/nfs/dbraw/zinc/78/41/83/352784183.db2.gz	ABQKCAZDTMGDCR-ZYHUDNBSSA-N	0	0	175.275	3.145	10	0		AGAERN
C[C@H]1C[C@]1(C)CNc1ccccc1	575581874	352784245	/nfs/dbraw/zinc/78/42/45/352784245.db2.gz	ABQKCAZDTMGDCR-CMPLNLGQSA-N	0	0	175.275	3.145	10	0		AGAERN
C[C@H]1C[C@@]1(C)CNc1ccccc1	575581885	352784263	/nfs/dbraw/zinc/78/42/63/352784263.db2.gz	ABQKCAZDTMGDCR-JQWIXIFHSA-N	0	0	175.275	3.145	10	0		AGAERN
CC[C@@H](C)Nc1ccc(O)cc1Cl	575586091	352806023	/nfs/dbraw/zinc/80/60/23/352806023.db2.gz	UEDAKOMRVODIAD-SSDOTTSWSA-N	0	0	199.681	3.256	10	0		AGAERN
CC[C@H](C)Nc1ccc(O)cc1Cl	575586094	352806320	/nfs/dbraw/zinc/80/63/20/352806320.db2.gz	UEDAKOMRVODIAD-ZETCQYMHSA-N	0	0	199.681	3.256	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1C[C@H]1C	575586300	352806599	/nfs/dbraw/zinc/80/65/99/352806599.db2.gz	BFRPGAHVSXKUQJ-CHWFTXMASA-N	0	0	180.291	3.038	10	0		AGAERN
C[C@H]1C[C@H]1C(=O)[C@H]1CCCC[C@H]1C	575586308	352806704	/nfs/dbraw/zinc/80/67/04/352806704.db2.gz	BFRPGAHVSXKUQJ-VPOLOUISSA-N	0	0	180.291	3.038	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1C(=O)[C@H]1C[C@H]1C	575586309	352806800	/nfs/dbraw/zinc/80/68/00/352806800.db2.gz	BFRPGAHVSXKUQJ-ZNSHCXBVSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(C)CNc1ccc(O)cc1Cl	575586303	352806976	/nfs/dbraw/zinc/80/69/76/352806976.db2.gz	XGEUUQWQUWWNBR-UHFFFAOYSA-N	0	0	199.681	3.114	10	0		AGAERN
C[C@@H]1CCCC[C@H]1[C@H]1CCCC1=O	575586519	352807434	/nfs/dbraw/zinc/80/74/34/352807434.db2.gz	DFYKNTJUWMVLSJ-GMTAPVOTSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1CCCC[C@H]1[C@@H]1CCCC1=O	575586520	352807485	/nfs/dbraw/zinc/80/74/85/352807485.db2.gz	DFYKNTJUWMVLSJ-MXWKQRLJSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1[C@@H]1CCCC1=O	575586522	352807660	/nfs/dbraw/zinc/80/76/60/352807660.db2.gz	DFYKNTJUWMVLSJ-VWYCJHECSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1[C@H]1CCCC1=O	575586521	352807733	/nfs/dbraw/zinc/80/77/33/352807733.db2.gz	DFYKNTJUWMVLSJ-OUAUKWLOSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@H]1CCCC[C@H]1C(=O)C1(C)CC1	575586789	352808981	/nfs/dbraw/zinc/80/89/81/352808981.db2.gz	HVJWLHBHLUTZJT-VHSXEESVSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@H]1CCCC[C@@H]1C(=O)C1(C)CC1	575586788	352809004	/nfs/dbraw/zinc/80/90/04/352809004.db2.gz	HVJWLHBHLUTZJT-UWVGGRQHSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1CCCC[C@H]1C(=O)C1(C)CC1	575586787	352809063	/nfs/dbraw/zinc/80/90/63/352809063.db2.gz	HVJWLHBHLUTZJT-NXEZZACHSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1C(=O)C1(C)CC1	575586790	352809159	/nfs/dbraw/zinc/80/91/59/352809159.db2.gz	HVJWLHBHLUTZJT-ZJUUUORDSA-N	0	0	180.291	3.182	10	0		AGAERN
CC1(C)C[C@@H]1CNc1ccsc1	575587409	352811729	/nfs/dbraw/zinc/81/17/29/352811729.db2.gz	CZQHLDFBRNYSIY-MRVPVSSYSA-N	0	0	181.304	3.206	10	0		AGAERN
CC1(C)C[C@H]1CNc1ccsc1	575587410	352811857	/nfs/dbraw/zinc/81/18/57/352811857.db2.gz	CZQHLDFBRNYSIY-QMMMGPOBSA-N	0	0	181.304	3.206	10	0		AGAERN
Oc1c(F)cccc1C1=CCCC1	575587768	352813309	/nfs/dbraw/zinc/81/33/09/352813309.db2.gz	MQWGYSLVHYDACS-UHFFFAOYSA-N	0	0	178.206	3.099	10	0		AGAERN
CC(=O)[C@H](C)[C@H]1CCCC[C@H]1C	575587910	352815118	/nfs/dbraw/zinc/81/51/18/352815118.db2.gz	OGBUBOYQHOKNJI-YWVKMMECSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)[C@H](C)[C@@H]1CCCC[C@@H]1C	575587907	352815146	/nfs/dbraw/zinc/81/51/46/352815146.db2.gz	OGBUBOYQHOKNJI-ATZCPNFKSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)[C@H](C)[C@@H]1CCCC[C@H]1C	575587909	352815191	/nfs/dbraw/zinc/81/51/91/352815191.db2.gz	OGBUBOYQHOKNJI-WCABBAIRSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)c1cc(C(C)C)[nH]c(=S)n1	575588226	352816787	/nfs/dbraw/zinc/81/67/87/352816787.db2.gz	DHFLQQOLZPHSKF-UHFFFAOYSA-N	0	0	196.319	3.012	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1[C@H]1CCC(=O)C1	575589504	352822969	/nfs/dbraw/zinc/82/29/69/352822969.db2.gz	WBCNJXOQTCFLSV-SCVCMEIPSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1CCCC[C@H]1[C@@H]1CCC(=O)C1	575589475	352822976	/nfs/dbraw/zinc/82/29/76/352822976.db2.gz	WBCNJXOQTCFLSV-CKYFFXLPSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1[C@@H]1CCC(=O)C1	575589487	352823137	/nfs/dbraw/zinc/82/31/37/352823137.db2.gz	WBCNJXOQTCFLSV-FOGDFJRCSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1CCCC[C@H]1[C@H]1CCC(=O)C1	575589495	352823198	/nfs/dbraw/zinc/82/31/98/352823198.db2.gz	WBCNJXOQTCFLSV-JFGNBEQYSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1CCCC[C@H]1C(=O)C(C)(F)F	575589846	352824758	/nfs/dbraw/zinc/82/47/58/352824758.db2.gz	XSQJKVGEQPTPBX-HTQZYQBOSA-N	0	0	190.233	3.037	10	0		AGAERN
C[C@H]1CCCC[C@H]1C(=O)C(C)(F)F	575589850	352825269	/nfs/dbraw/zinc/82/52/69/352825269.db2.gz	XSQJKVGEQPTPBX-JGVFFNPUSA-N	0	0	190.233	3.037	10	0		AGAERN
C[C@@H]1CCCC[C@@H]1C(=O)C(C)(F)F	575589857	352825607	/nfs/dbraw/zinc/82/56/07/352825607.db2.gz	XSQJKVGEQPTPBX-SFYZADRCSA-N	0	0	190.233	3.037	10	0		AGAERN
C[C@H]1CCCC[C@@H]1C(=O)C(C)(F)F	575589864	352825668	/nfs/dbraw/zinc/82/56/68/352825668.db2.gz	XSQJKVGEQPTPBX-YUMQZZPRSA-N	0	0	190.233	3.037	10	0		AGAERN
CC1(C)C(c2coc(=S)[nH]2)C1(C)C	575593000	352840270	/nfs/dbraw/zinc/84/02/70/352840270.db2.gz	ZFWGAHSGWSIQLO-UHFFFAOYSA-N	0	0	197.303	3.113	10	0		AGAERN
CCC(C)(C)[C@@H]1CCC(=O)[C@@H]1C	575595516	352855841	/nfs/dbraw/zinc/85/58/41/352855841.db2.gz	MSQVIXJPLOODGN-RKDXNWHRSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(C)(C)[C@H]1CCC(=O)[C@@H]1C	575595513	352856124	/nfs/dbraw/zinc/85/61/24/352856124.db2.gz	MSQVIXJPLOODGN-BDAKNGLRSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(C)(C)[C@H]1CCC(=O)[C@H]1C	575595515	352856316	/nfs/dbraw/zinc/85/63/16/352856316.db2.gz	MSQVIXJPLOODGN-IUCAKERBSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(C)(C)[C@@H]1CCC(=O)[C@H]1C	575595514	352856336	/nfs/dbraw/zinc/85/63/36/352856336.db2.gz	MSQVIXJPLOODGN-DTWKUNHWSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(C)(C)[C@@]1(C)CCC(=O)C1	575595832	352856647	/nfs/dbraw/zinc/85/66/47/352856647.db2.gz	WTCVLTGVNSAVPU-NSHDSACASA-N	0	0	168.280	3.182	10	0		AGAERN
CCC(C)(C)[C@]1(C)CCC(=O)C1	575595831	352856767	/nfs/dbraw/zinc/85/67/67/352856767.db2.gz	WTCVLTGVNSAVPU-LLVKDONJSA-N	0	0	168.280	3.182	10	0		AGAERN
Fc1cc(-c2cccs2)cnc1F	575596848	352858780	/nfs/dbraw/zinc/85/87/80/352858780.db2.gz	YMJDVXRQZUFSET-UHFFFAOYSA-N	0	0	197.209	3.088	10	0		AGAERN
Cc1ccc(-c2cccc(F)n2)s1	575597989	352861040	/nfs/dbraw/zinc/86/10/40/352861040.db2.gz	VJYYOURBEXXLBI-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
CC(C)c1cc([C@@H]2CC[C@@H]2C)n[nH]1	575601119	352863876	/nfs/dbraw/zinc/86/38/76/352863876.db2.gz	JEFMJNYXROMDGR-DTWKUNHWSA-N	0	0	178.279	3.047	10	0		AGAERN
C[C@@H]1CC[C@@H]1c1cc(C(C)(C)C)n[nH]1	575601202	352863982	/nfs/dbraw/zinc/86/39/82/352863982.db2.gz	OHMBRPNBABJIRY-BDAKNGLRSA-N	0	0	192.306	3.221	10	0		AGAERN
C[C@@H]1CC[C@H]1c1cc(C(C)(C)C)n[nH]1	575601205	352864020	/nfs/dbraw/zinc/86/40/20/352864020.db2.gz	OHMBRPNBABJIRY-RKDXNWHRSA-N	0	0	192.306	3.221	10	0		AGAERN
C[C@H]1CC[C@@H]1c1cc(C(C)(C)C)n[nH]1	575601204	352864248	/nfs/dbraw/zinc/86/42/48/352864248.db2.gz	OHMBRPNBABJIRY-IUCAKERBSA-N	0	0	192.306	3.221	10	0		AGAERN
CC(C)c1cc([C@H]2CC[C@@H]2C)n[nH]1	575601120	352864295	/nfs/dbraw/zinc/86/42/95/352864295.db2.gz	JEFMJNYXROMDGR-IUCAKERBSA-N	0	0	178.279	3.047	10	0		AGAERN
CC(C)c1cc([C@@H]2CC[C@H]2C)n[nH]1	575601121	352864357	/nfs/dbraw/zinc/86/43/57/352864357.db2.gz	JEFMJNYXROMDGR-RKDXNWHRSA-N	0	0	178.279	3.047	10	0		AGAERN
CC(C)c1cc([C@H]2CC[C@H]2C)n[nH]1	575601116	352864352	/nfs/dbraw/zinc/86/43/52/352864352.db2.gz	JEFMJNYXROMDGR-BDAKNGLRSA-N	0	0	178.279	3.047	10	0		AGAERN
C[C@H]1CC[C@H]1c1cc(C(C)(C)C)n[nH]1	575601203	352864377	/nfs/dbraw/zinc/86/43/77/352864377.db2.gz	OHMBRPNBABJIRY-DTWKUNHWSA-N	0	0	192.306	3.221	10	0		AGAERN
FC(F)(F)[C@H]1CCCSCC1	575602107	352865432	/nfs/dbraw/zinc/86/54/32/352865432.db2.gz	IJOIRPZLNYPWOZ-LURJTMIESA-N	0	0	184.226	3.082	10	0		AGAERN
CC(C)(C)C(C)(C)CCC(N)=S	575602080	352865576	/nfs/dbraw/zinc/86/55/76/352865576.db2.gz	HXRADBQTQBHFHI-UHFFFAOYSA-N	0	0	187.352	3.125	10	0		AGAERN
FC(F)(F)[C@@H]1CCCSCC1	575602108	352865725	/nfs/dbraw/zinc/86/57/25/352865725.db2.gz	IJOIRPZLNYPWOZ-ZCFIWIBFSA-N	0	0	184.226	3.082	10	0		AGAERN
CC1CC(COc2ccc(F)cc2)C1	575603008	352866848	/nfs/dbraw/zinc/86/68/48/352866848.db2.gz	YJKYAGLWCVJCMY-UHFFFAOYSA-N	0	0	194.249	3.251	10	0		AGAERN
CCc1cc(C=O)cc(C)c1C(F)F	575666426	352882245	/nfs/dbraw/zinc/88/22/45/352882245.db2.gz	DNENXUHAUFJDGN-UHFFFAOYSA-N	0	0	198.212	3.308	10	0		AGAERN
COc1c(C)cc(F)cc1C(F)F	575666233	352882279	/nfs/dbraw/zinc/88/22/79/352882279.db2.gz	BXWKQKWGASDKOC-UHFFFAOYSA-N	0	0	190.164	3.080	10	0		AGAERN
COc1ccc(C(F)F)c(F)c1C	575666365	352882299	/nfs/dbraw/zinc/88/22/99/352882299.db2.gz	CYBQUQHEJWGEJL-UHFFFAOYSA-N	0	0	190.164	3.080	10	0		AGAERN
CCc1cc(C)cc(C(F)F)c1C=O	575666224	352882336	/nfs/dbraw/zinc/88/23/36/352882336.db2.gz	BXRSGJVEHHEHFR-UHFFFAOYSA-N	0	0	198.212	3.308	10	0		AGAERN
COc1cc(C(F)F)cc(C)c1F	575666395	352882357	/nfs/dbraw/zinc/88/23/57/352882357.db2.gz	DDIBCLZDEQDUEN-UHFFFAOYSA-N	0	0	190.164	3.080	10	0		AGAERN
COc1cc(C(F)F)cc(F)c1C	575666495	352882392	/nfs/dbraw/zinc/88/23/92/352882392.db2.gz	DXAJBUXHIPKVDO-UHFFFAOYSA-N	0	0	190.164	3.080	10	0		AGAERN
CCc1cc(C(F)F)cc(C=O)c1C	575665882	352882652	/nfs/dbraw/zinc/88/26/52/352882652.db2.gz	AMBLAXDXRSFXLB-UHFFFAOYSA-N	0	0	198.212	3.308	10	0		AGAERN
COc1c(C)cc(C(F)F)cc1F	575667862	352883133	/nfs/dbraw/zinc/88/31/33/352883133.db2.gz	NJDFFSQUIVCHBM-UHFFFAOYSA-N	0	0	190.164	3.080	10	0		AGAERN
COc1cc(C)c(F)cc1C(F)F	575667256	352883149	/nfs/dbraw/zinc/88/31/49/352883149.db2.gz	IXCURPOJXSJUSM-UHFFFAOYSA-N	0	0	190.164	3.080	10	0		AGAERN
COc1c(F)cc(C)cc1C(F)F	575667411	352883157	/nfs/dbraw/zinc/88/31/57/352883157.db2.gz	KKHCMDOWSXYOBW-UHFFFAOYSA-N	0	0	190.164	3.080	10	0		AGAERN
COc1cc(C)c(C(F)F)c(F)c1	575667271	352883164	/nfs/dbraw/zinc/88/31/64/352883164.db2.gz	JCGQXQCFRCQFRW-UHFFFAOYSA-N	0	0	190.164	3.080	10	0		AGAERN
COc1cc(F)cc(C(F)F)c1C	575668404	352883173	/nfs/dbraw/zinc/88/31/73/352883173.db2.gz	PEIHPWJRIRYVBD-UHFFFAOYSA-N	0	0	190.164	3.080	10	0		AGAERN
COc1cc(F)c(C(F)F)cc1C	575668565	352883183	/nfs/dbraw/zinc/88/31/83/352883183.db2.gz	SDYQMVLUIZVZHO-UHFFFAOYSA-N	0	0	190.164	3.080	10	0		AGAERN
CCc1cc(C(F)F)c(C=O)cc1C	575668583	352883240	/nfs/dbraw/zinc/88/32/40/352883240.db2.gz	SHZQVLDGQUUQAO-UHFFFAOYSA-N	0	0	198.212	3.308	10	0		AGAERN
CCc1c(C)cc(C=O)cc1C(F)F	575668509	352883251	/nfs/dbraw/zinc/88/32/51/352883251.db2.gz	REZYHVQKOZZQNX-UHFFFAOYSA-N	0	0	198.212	3.308	10	0		AGAERN
CCc1cc(C(F)F)c(C)cc1C=O	575667196	352883270	/nfs/dbraw/zinc/88/32/70/352883270.db2.gz	IUJOWKSBUGFVJO-UHFFFAOYSA-N	0	0	198.212	3.308	10	0		AGAERN
COc1cc(C)c(C(F)F)cc1F	575667926	352883283	/nfs/dbraw/zinc/88/32/83/352883283.db2.gz	NWQNALZSFZVWCQ-UHFFFAOYSA-N	0	0	190.164	3.080	10	0		AGAERN
COc1cc(F)cc(C)c1C(F)F	575667349	352883292	/nfs/dbraw/zinc/88/32/92/352883292.db2.gz	JWYJSQAXDVLJGT-UHFFFAOYSA-N	0	0	190.164	3.080	10	0		AGAERN
CCc1cc(C)c(C(F)F)c(C=O)c1	575667344	352883310	/nfs/dbraw/zinc/88/33/10/352883310.db2.gz	JTACOACHDSOWKT-UHFFFAOYSA-N	0	0	198.212	3.308	10	0		AGAERN
CCc1c(C)cc(C(F)F)cc1C=O	575666879	352883336	/nfs/dbraw/zinc/88/33/36/352883336.db2.gz	FUJCAFWAHGDMPX-UHFFFAOYSA-N	0	0	198.212	3.308	10	0		AGAERN
COc1cc(C)cc(F)c1C(F)F	575666996	352883360	/nfs/dbraw/zinc/88/33/60/352883360.db2.gz	GXJQNFCJZUCRTQ-UHFFFAOYSA-N	0	0	190.164	3.080	10	0		AGAERN
CCc1c(C=O)cc(C)cc1C(F)F	575668414	352883404	/nfs/dbraw/zinc/88/34/04/352883404.db2.gz	PNGQROKQEPNODP-UHFFFAOYSA-N	0	0	198.212	3.308	10	0		AGAERN
CCc1cc(C)cc(C=O)c1C(F)F	575668427	352883410	/nfs/dbraw/zinc/88/34/10/352883410.db2.gz	PWMRHQNQXFKRRU-UHFFFAOYSA-N	0	0	198.212	3.308	10	0		AGAERN
CCc1cc(C)c(C=O)c(C(F)F)c1	575669222	352883894	/nfs/dbraw/zinc/88/38/94/352883894.db2.gz	ZCXJERGZIMCCAC-UHFFFAOYSA-N	0	0	198.212	3.308	10	0		AGAERN
CCc1cc(C=O)c(C)cc1C(F)F	575669174	352884010	/nfs/dbraw/zinc/88/40/10/352884010.db2.gz	XUGUSBJTXRLFBP-UHFFFAOYSA-N	0	0	198.212	3.308	10	0		AGAERN
COc1cc(C)cc(C(F)F)c1F	575668743	352884035	/nfs/dbraw/zinc/88/40/35/352884035.db2.gz	UZRFTMUYCRNTHZ-UHFFFAOYSA-N	0	0	190.164	3.080	10	0		AGAERN
COc1cc(F)c(C)c(C(F)F)c1	575669204	352884119	/nfs/dbraw/zinc/88/41/19/352884119.db2.gz	YIWBZPAMNLWWGD-UHFFFAOYSA-N	0	0	190.164	3.080	10	0		AGAERN
COc1cc(F)c(C)cc1C(F)F	575669216	352884137	/nfs/dbraw/zinc/88/41/37/352884137.db2.gz	YXYGASRHEGMIHE-UHFFFAOYSA-N	0	0	190.164	3.080	10	0		AGAERN
CCc1cc(C(F)F)cc(C)c1C=O	575669152	352884139	/nfs/dbraw/zinc/88/41/39/352884139.db2.gz	XCZPIIPWXXHSOU-UHFFFAOYSA-N	0	0	198.212	3.308	10	0		AGAERN
CCc1cc(C)c(C=O)cc1C(F)F	575669140	352884195	/nfs/dbraw/zinc/88/41/95/352884195.db2.gz	WXOWZIUWDJQUFC-UHFFFAOYSA-N	0	0	198.212	3.308	10	0		AGAERN
COc1cc(C)c(F)c(C(F)F)c1	575669236	352884216	/nfs/dbraw/zinc/88/42/16/352884216.db2.gz	ZNVHZDKYPYUQIR-UHFFFAOYSA-N	0	0	190.164	3.080	10	0		AGAERN
CCc1cc(C)c(C(F)F)cc1C=O	575669099	352884233	/nfs/dbraw/zinc/88/42/33/352884233.db2.gz	VSYFZZFMQRYGKX-UHFFFAOYSA-N	0	0	198.212	3.308	10	0		AGAERN
CCc1cc(C=O)c(C)c(C(F)F)c1	575668620	352884250	/nfs/dbraw/zinc/88/42/50/352884250.db2.gz	SPMVEUSLSYIFKN-UHFFFAOYSA-N	0	0	198.212	3.308	10	0		AGAERN
CCc1c(C(F)F)ccc(C=O)c1C	575668632	352884279	/nfs/dbraw/zinc/88/42/79/352884279.db2.gz	SUBSQCQCKZHBSW-UHFFFAOYSA-N	0	0	198.212	3.308	10	0		AGAERN
COc1cc(C(F)F)c(C)cc1F	575669115	352884284	/nfs/dbraw/zinc/88/42/84/352884284.db2.gz	WAJJYWKRKWVOIZ-UHFFFAOYSA-N	0	0	190.164	3.080	10	0		AGAERN
CCc1cc(C=O)c(C(F)F)cc1C	575669083	352884285	/nfs/dbraw/zinc/88/42/85/352884285.db2.gz	VMMIUYWNAXYLAB-UHFFFAOYSA-N	0	0	198.212	3.308	10	0		AGAERN
CCOc1cc(F)cc(CC)c1C	575695001	352886659	/nfs/dbraw/zinc/88/66/59/352886659.db2.gz	GTUJUQLDBWNODK-UHFFFAOYSA-N	0	0	182.238	3.095	10	0		AGAERN
CCOc1cc(F)c(C)cc1CC	575694318	352886712	/nfs/dbraw/zinc/88/67/12/352886712.db2.gz	CYXLCXXRBDFNIF-UHFFFAOYSA-N	0	0	182.238	3.095	10	0		AGAERN
CCOc1cc(CC)cc(F)c1C	575694402	352886742	/nfs/dbraw/zinc/88/67/42/352886742.db2.gz	DVAHBMLNCDBRSN-UHFFFAOYSA-N	0	0	182.238	3.095	10	0		AGAERN
CCOc1cc(C)c(F)c(CC)c1	575694383	352886786	/nfs/dbraw/zinc/88/67/86/352886786.db2.gz	DPIGFWJCKKBGLJ-UHFFFAOYSA-N	0	0	182.238	3.095	10	0		AGAERN
CCOc1c(C)ccc(CC)c1C	575695145	352887323	/nfs/dbraw/zinc/88/73/23/352887323.db2.gz	FKWZDIUWVSIZJW-UHFFFAOYSA-N	0	0	178.275	3.265	10	0		AGAERN
CCOc1cc(C)c(C)c(CC)c1	575695186	352887335	/nfs/dbraw/zinc/88/73/35/352887335.db2.gz	FOTQBRFOGMXRIB-UHFFFAOYSA-N	0	0	178.275	3.265	10	0		AGAERN
CCOc1ccc(CC)c(C)c1C	575695247	352887460	/nfs/dbraw/zinc/88/74/60/352887460.db2.gz	GRWMVUXNGCJKEI-UHFFFAOYSA-N	0	0	178.275	3.265	10	0		AGAERN
CCOc1cc(CC)c(C)cc1C	575695272	352887571	/nfs/dbraw/zinc/88/75/71/352887571.db2.gz	GVNXMDFFJICFFH-UHFFFAOYSA-N	0	0	178.275	3.265	10	0		AGAERN
CCOc1cc(C)c(CC)c(C)c1	575696034	352887668	/nfs/dbraw/zinc/88/76/68/352887668.db2.gz	JHAYNSVGDKBEEF-UHFFFAOYSA-N	0	0	178.275	3.265	10	0		AGAERN
CCOc1c(C)cc(CC)cc1F	575696332	352888259	/nfs/dbraw/zinc/88/82/59/352888259.db2.gz	NHBAROJKDCJVKV-UHFFFAOYSA-N	0	0	182.238	3.095	10	0		AGAERN
CCOc1c(F)ccc(CC)c1C	575696293	352888301	/nfs/dbraw/zinc/88/83/01/352888301.db2.gz	MVACZULYBUSYAD-UHFFFAOYSA-N	0	0	182.238	3.095	10	0		AGAERN
CCOc1cc(C)c(C)cc1CC	575696312	352888324	/nfs/dbraw/zinc/88/83/24/352888324.db2.gz	NIRAHVNOQXPCKS-UHFFFAOYSA-N	0	0	178.275	3.265	10	0		AGAERN
CCOc1cc(C)c(F)cc1CC	575696068	352888345	/nfs/dbraw/zinc/88/83/45/352888345.db2.gz	LBFCQTIRJSCEAG-UHFFFAOYSA-N	0	0	182.238	3.095	10	0		AGAERN
CCOc1cc(CC)c(C)cc1F	575697037	352888811	/nfs/dbraw/zinc/88/88/11/352888811.db2.gz	SOZKONZUFUTNJI-UHFFFAOYSA-N	0	0	182.238	3.095	10	0		AGAERN
CCOc1cc(F)cc(C)c1CC	575697090	352888848	/nfs/dbraw/zinc/88/88/48/352888848.db2.gz	UXHMYBPUFBSOLL-UHFFFAOYSA-N	0	0	182.238	3.095	10	0		AGAERN
CCOc1cc(CC)cc(C)c1C	575696781	352888890	/nfs/dbraw/zinc/88/88/90/352888890.db2.gz	RKTPITUDRCMJIH-UHFFFAOYSA-N	0	0	178.275	3.265	10	0		AGAERN
CCOc1cc(C)cc(C)c1CC	575697206	352888942	/nfs/dbraw/zinc/88/89/42/352888942.db2.gz	ZUZPYOYMUDPNRN-UHFFFAOYSA-N	0	0	178.275	3.265	10	0		AGAERN
CCOc1cc(C)c(CC)c(F)c1	575697048	352888977	/nfs/dbraw/zinc/88/89/77/352888977.db2.gz	SYKQSWAHJJLHFE-UHFFFAOYSA-N	0	0	182.238	3.095	10	0		AGAERN
CCOc1cc(F)c(C)c(CC)c1	575697389	352888986	/nfs/dbraw/zinc/88/89/86/352888986.db2.gz	WTQXPWGCBWZPTR-UHFFFAOYSA-N	0	0	182.238	3.095	10	0		AGAERN
CCOc1cc(CC)cc(C)c1F	575697402	352888987	/nfs/dbraw/zinc/88/89/87/352888987.db2.gz	XECUPPGQDJGUNU-UHFFFAOYSA-N	0	0	182.238	3.095	10	0		AGAERN
CCOc1cc(C)cc(CC)c1F	575697397	352888993	/nfs/dbraw/zinc/88/89/93/352888993.db2.gz	WYPVIDXLUFMSEY-UHFFFAOYSA-N	0	0	182.238	3.095	10	0		AGAERN
CCOc1cc(CC)c(F)cc1C	575696954	352888994	/nfs/dbraw/zinc/88/89/94/352888994.db2.gz	RATHCYJYYXCKPG-UHFFFAOYSA-N	0	0	182.238	3.095	10	0		AGAERN
CCc1ccc(SC)c(F)c1C	575701591	352890097	/nfs/dbraw/zinc/89/00/97/352890097.db2.gz	FYESRTHJZCTFII-UHFFFAOYSA-N	0	0	184.279	3.418	10	0		AGAERN
CCc1cc(C)c(F)cc1SC	575701850	352890116	/nfs/dbraw/zinc/89/01/16/352890116.db2.gz	KHYCTQDUCABTTR-UHFFFAOYSA-N	0	0	184.279	3.418	10	0		AGAERN
CCc1c(F)ccc(SC)c1C	575701789	352890128	/nfs/dbraw/zinc/89/01/28/352890128.db2.gz	IOTBCCHYSKQXGQ-UHFFFAOYSA-N	0	0	184.279	3.418	10	0		AGAERN
CCc1c(C)ccc(F)c1SC	575701573	352890190	/nfs/dbraw/zinc/89/01/90/352890190.db2.gz	DZLPRAWDHPQMEP-UHFFFAOYSA-N	0	0	184.279	3.418	10	0		AGAERN
CCc1cc(SC)c(C)cc1F	575701838	352890267	/nfs/dbraw/zinc/89/02/67/352890267.db2.gz	KBUZMBKXMNCGIT-UHFFFAOYSA-N	0	0	184.279	3.418	10	0		AGAERN
CCc1c(F)cc(C)cc1SC	575701502	352890298	/nfs/dbraw/zinc/89/02/98/352890298.db2.gz	AORAITRXXVQLFO-UHFFFAOYSA-N	0	0	184.279	3.418	10	0		AGAERN
CCc1c(F)ccc(C)c1SC	575701546	352890320	/nfs/dbraw/zinc/89/03/20/352890320.db2.gz	CUHPAOUASYRXCF-UHFFFAOYSA-N	0	0	184.279	3.418	10	0		AGAERN
CCc1c(C)cc(F)cc1SC	575702180	352890449	/nfs/dbraw/zinc/89/04/49/352890449.db2.gz	LQLXYBXBTZRVKE-UHFFFAOYSA-N	0	0	184.279	3.418	10	0		AGAERN
CCc1cc(F)c(SC)cc1C	575702281	352890770	/nfs/dbraw/zinc/89/07/70/352890770.db2.gz	MSGZLQQEBRZVTB-UHFFFAOYSA-N	0	0	184.279	3.418	10	0		AGAERN
CCc1cc(SC)c(C=O)cc1C	575703947	352891006	/nfs/dbraw/zinc/89/10/06/352891006.db2.gz	PAMFZQAZUHDGOA-UHFFFAOYSA-N	0	0	194.299	3.092	10	0		AGAERN
CCc1cc(C=O)cc(C)c1SC	575704394	352891093	/nfs/dbraw/zinc/89/10/93/352891093.db2.gz	VLUYGHIAQGANFW-UHFFFAOYSA-N	0	0	194.299	3.092	10	0		AGAERN
CCc1c(C)ccc(C=O)c1SC	575704440	352891158	/nfs/dbraw/zinc/89/11/58/352891158.db2.gz	VWWRWJGHPQRQQE-UHFFFAOYSA-N	0	0	194.299	3.092	10	0		AGAERN
CCc1cc(C)cc(C=O)c1SC	575704046	352891211	/nfs/dbraw/zinc/89/12/11/352891211.db2.gz	QEOFTHKGUSIDRR-UHFFFAOYSA-N	0	0	194.299	3.092	10	0		AGAERN
CCc1c(C=O)ccc(SC)c1C	575704475	352891299	/nfs/dbraw/zinc/89/12/99/352891299.db2.gz	WSSMQEQSIGMINI-UHFFFAOYSA-N	0	0	194.299	3.092	10	0		AGAERN
CCc1cc(SC)c(C)cc1C=O	575704017	352891344	/nfs/dbraw/zinc/89/13/44/352891344.db2.gz	PWIVKROXROSRED-UHFFFAOYSA-N	0	0	194.299	3.092	10	0		AGAERN
CCc1cc(SC)cc(C=O)c1C	575704644	352891432	/nfs/dbraw/zinc/89/14/32/352891432.db2.gz	YJSRFEWSYZYTQK-UHFFFAOYSA-N	0	0	194.299	3.092	10	0		AGAERN
CCc1c(C=O)ccc(C)c1SC	575704658	352891441	/nfs/dbraw/zinc/89/14/41/352891441.db2.gz	YLHONJSXGWJHLG-UHFFFAOYSA-N	0	0	194.299	3.092	10	0		AGAERN
CCc1c(C)cc(SC)cc1C=O	575704506	352891481	/nfs/dbraw/zinc/89/14/81/352891481.db2.gz	XCVAFLHBWOILEW-UHFFFAOYSA-N	0	0	194.299	3.092	10	0		AGAERN
CSc1c(C)ccc(C(C)=O)c1F	575708257	352891768	/nfs/dbraw/zinc/89/17/68/352891768.db2.gz	CDPWDZBCDDKHGK-UHFFFAOYSA-N	0	0	198.262	3.059	10	0		AGAERN
CSc1ccc(C)c(C(C)=O)c1F	575708188	352892309	/nfs/dbraw/zinc/89/23/09/352892309.db2.gz	BADOVVKHNKFQPE-UHFFFAOYSA-N	0	0	198.262	3.059	10	0		AGAERN
CSc1c(C)ccc(F)c1C(C)=O	575709811	352892582	/nfs/dbraw/zinc/89/25/82/352892582.db2.gz	OIYXYWUZAJNJLR-UHFFFAOYSA-N	0	0	198.262	3.059	10	0		AGAERN
CSc1c(C)cc(F)cc1C(C)=O	575709523	352892584	/nfs/dbraw/zinc/89/25/84/352892584.db2.gz	LGLHYFZFAUCGSU-UHFFFAOYSA-N	0	0	198.262	3.059	10	0		AGAERN
CSc1cc(F)c(C)c(C(C)=O)c1	575710693	352892602	/nfs/dbraw/zinc/89/26/02/352892602.db2.gz	SZCJRCMLWQMINA-UHFFFAOYSA-N	0	0	198.262	3.059	10	0		AGAERN
CSc1c(C)cc(C(C)=O)cc1F	575709047	352892645	/nfs/dbraw/zinc/89/26/45/352892645.db2.gz	HFSOCGZKESZVLV-UHFFFAOYSA-N	0	0	198.262	3.059	10	0		AGAERN
CSc1cc(F)c(C(C)=O)cc1C	575709200	352892677	/nfs/dbraw/zinc/89/26/77/352892677.db2.gz	JRHCNCCHSCMBKS-UHFFFAOYSA-N	0	0	198.262	3.059	10	0		AGAERN
CSc1ccc(F)c(C)c1C(C)=O	575710803	352892694	/nfs/dbraw/zinc/89/26/94/352892694.db2.gz	YNMXYXDYDKIMED-UHFFFAOYSA-N	0	0	198.262	3.059	10	0		AGAERN
CSc1c(F)cc(C)cc1C(C)=O	575708994	352892773	/nfs/dbraw/zinc/89/27/73/352892773.db2.gz	GDIDPIUYWGRWLU-UHFFFAOYSA-N	0	0	198.262	3.059	10	0		AGAERN
CSc1c(F)ccc(C)c1C(C)=O	575709144	352892839	/nfs/dbraw/zinc/89/28/39/352892839.db2.gz	IONVCDYWODQJQB-UHFFFAOYSA-N	0	0	198.262	3.059	10	0		AGAERN
Cc1ccc([C@@H]2C[C@H]3CC[C@@H]2C3)o1	584621757	352907203	/nfs/dbraw/zinc/90/72/03/352907203.db2.gz	OJYFOFKAHKNVAT-HBNTYKKESA-N	0	0	176.259	3.492	10	0		AGAERN
C1CC(SC[C@H]2C[C@@H]3C[C@@H]3C2)C1	596021271	352922708	/nfs/dbraw/zinc/92/27/08/352922708.db2.gz	QGCUGSJTVIPLMP-ILWJIGKKSA-N	0	0	182.332	3.318	10	0		AGAERN
C1CC1CSC[C@H]1C[C@@H]2C[C@@H]2C1	596023049	352922702	/nfs/dbraw/zinc/92/27/02/352922702.db2.gz	VSVHNGXLWHUESR-JGPRNRPPSA-N	0	0	182.332	3.176	10	0		AGAERN
CC(C)OC(=O)C(C)(C)C1CCCC1	611140635	352927860	/nfs/dbraw/zinc/92/78/60/352927860.db2.gz	GCXLMWQFIJEXLJ-UHFFFAOYSA-N	0	0	198.306	3.154	10	0		AGAERN
OSCc1ccc(Cl)cc1F	643848284	353008176	/nfs/dbraw/zinc/00/81/76/353008176.db2.gz	NLONTEOQPBMZPF-UHFFFAOYSA-N	0	0	192.642	3.185	10	0		AGAERN
OSCc1ccccc1Cl	643846364	353008210	/nfs/dbraw/zinc/00/82/10/353008210.db2.gz	DEAOPWYUXWDTIT-UHFFFAOYSA-N	0	0	174.652	3.046	10	0		AGAERN
OSCc1cccc(Cl)c1	643846396	353008258	/nfs/dbraw/zinc/00/82/58/353008258.db2.gz	JJRHCYWIJMXBJX-UHFFFAOYSA-N	0	0	174.652	3.046	10	0		AGAERN
O[C@@H]1CCC[C@@H](C2CCCCC2)C1	32226762	371630659	/nfs/dbraw/zinc/63/06/59/371630659.db2.gz	UVZXBQRRXSOTAZ-VXGBXAGGSA-N	0	0	182.307	3.118	10	0		AGAERN
O[C@@H]1CCC[C@H](C2CCCCC2)C1	32226766	371630856	/nfs/dbraw/zinc/63/08/56/371630856.db2.gz	UVZXBQRRXSOTAZ-NWDGAFQWSA-N	0	0	182.307	3.118	10	0		AGAERN
O[C@H]1CCC[C@@H](C2CCCCC2)C1	32226764	371631040	/nfs/dbraw/zinc/63/10/40/371631040.db2.gz	UVZXBQRRXSOTAZ-NEPJUHHUSA-N	0	0	182.307	3.118	10	0		AGAERN
CC[C@@H](C)c1ccc([C@@H](C)O)cc1	36156354	371632684	/nfs/dbraw/zinc/63/26/84/371632684.db2.gz	POXXJHIATZJFKV-NXEZZACHSA-N	0	0	178.275	3.253	10	0		AGAERN
O[C@H](c1ccc(Cl)cc1)C1CCC1	36157058	371632746	/nfs/dbraw/zinc/63/27/46/371632746.db2.gz	GZHLGLOKECWUTO-NSHDSACASA-N	0	0	196.677	3.174	10	0		AGAERN
O[C@@H](c1ccc(Cl)cc1)C1CCC1	36157055	371633015	/nfs/dbraw/zinc/63/30/15/371633015.db2.gz	GZHLGLOKECWUTO-LLVKDONJSA-N	0	0	196.677	3.174	10	0		AGAERN
CC(C)CC(=O)c1cc(F)ccc1F	36157124	371633121	/nfs/dbraw/zinc/63/31/21/371633121.db2.gz	OWYFVOUCJASBFE-UHFFFAOYSA-N	0	0	198.212	3.194	10	0		AGAERN
CC[C@@H](C)c1ccc([C@H](C)O)cc1	36156358	371633147	/nfs/dbraw/zinc/63/31/47/371633147.db2.gz	POXXJHIATZJFKV-ZJUUUORDSA-N	0	0	178.275	3.253	10	0		AGAERN
CC[C@H](C)c1nc(C)c(C)c(Cl)n1	51690415	371636977	/nfs/dbraw/zinc/63/69/77/371636977.db2.gz	DSLNLPLGJVMKNV-LURJTMIESA-N	0	0	198.697	3.260	10	0		AGAERN
CC[C@@H](C)c1nc(C)c(C)c(Cl)n1	51690414	371637770	/nfs/dbraw/zinc/63/77/70/371637770.db2.gz	DSLNLPLGJVMKNV-ZCFIWIBFSA-N	0	0	198.697	3.260	10	0		AGAERN
Cc1cc(O)ccc1NCCC(C)C	70735686	371645026	/nfs/dbraw/zinc/64/50/26/371645026.db2.gz	UVHQPSYXSHXEAF-UHFFFAOYSA-N	0	0	193.290	3.159	10	0		AGAERN
Cc1cc(O)ccc1N[C@@H](C)C(C)C	70735636	371644741	/nfs/dbraw/zinc/64/47/41/371644741.db2.gz	KWPSKMDIWDNMEW-JTQLQIEISA-N	0	0	193.290	3.157	10	0		AGAERN
CC[C@H](C)CNc1ccc(O)cc1C	70735759	371644961	/nfs/dbraw/zinc/64/49/61/371644961.db2.gz	DSSDVLTXUUMSJY-VIFPVBQESA-N	0	0	193.290	3.159	10	0		AGAERN
CCC(CC)Nc1ccc(O)cc1C	70735774	371645156	/nfs/dbraw/zinc/64/51/56/371645156.db2.gz	UYKSWEHYGUGQCL-UHFFFAOYSA-N	0	0	193.290	3.301	10	0		AGAERN
CC[C@@H](C)CNc1ccc(O)cc1C	70735757	371645238	/nfs/dbraw/zinc/64/52/38/371645238.db2.gz	DSSDVLTXUUMSJY-SECBINFHSA-N	0	0	193.290	3.159	10	0		AGAERN
Cc1cc(O)ccc1N[C@H](C)C(C)C	70735638	371645369	/nfs/dbraw/zinc/64/53/69/371645369.db2.gz	KWPSKMDIWDNMEW-SNVBAGLBSA-N	0	0	193.290	3.157	10	0		AGAERN
CC(C)OCCSc1ccccc1	87555421	371654117	/nfs/dbraw/zinc/65/41/17/371654117.db2.gz	HPZAVHDMWHIIOH-UHFFFAOYSA-N	0	0	196.315	3.204	10	0		AGAERN
C/C=C1/CCCC=C1CC	164984343	371675097	/nfs/dbraw/zinc/67/50/97/371675097.db2.gz	PTYNIPCHNIKJGV-OQFOIZHKSA-N	0	0	136.238	3.453	10	0		AGAERN
CC(=O)[C@@H]1CC[C@H](C)CC1(C)C	165477722	371677935	/nfs/dbraw/zinc/67/79/35/371677935.db2.gz	IJEATRBZIZBPML-WPRPVWTQSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)[C@H]1CC[C@H](C)CC1(C)C	165477455	371678041	/nfs/dbraw/zinc/67/80/41/371678041.db2.gz	IJEATRBZIZBPML-WCBMZHEXSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)[C@@H]1CC[C@@H](C)CC1(C)C	165477589	371678443	/nfs/dbraw/zinc/67/84/43/371678443.db2.gz	IJEATRBZIZBPML-SCZZXKLOSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)[C@H]1CC[C@@H](C)CC1(C)C	165477320	371678487	/nfs/dbraw/zinc/67/84/87/371678487.db2.gz	IJEATRBZIZBPML-PSASIEDQSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@H](C)c1cccc(NC(C)=O)c1	166325462	371680807	/nfs/dbraw/zinc/68/08/07/371680807.db2.gz	ZLMNUBWRGNMRBK-VIFPVBQESA-N	0	0	191.274	3.159	10	0		AGAERN
CC[C@@H](C)c1cccc(NC(C)=O)c1	166325342	371681519	/nfs/dbraw/zinc/68/15/19/371681519.db2.gz	ZLMNUBWRGNMRBK-SECBINFHSA-N	0	0	191.274	3.159	10	0		AGAERN
Cc1ccc(C(=O)[Si](C)(C)C)cc1	195798164	371690939	/nfs/dbraw/zinc/69/09/39/371690939.db2.gz	NHUCUMVBYJUDLI-UHFFFAOYSA-N	0	0	192.334	3.055	10	0		AGAERN
CCc1ccnc(C[Si](C)(C)C)c1	196210081	371693454	/nfs/dbraw/zinc/69/34/54/371693454.db2.gz	PCFUJNNJWKEJPY-UHFFFAOYSA-N	0	0	193.366	3.064	10	0		AGAERN
Cc1noc2c1ccc1ccccc12	196217180	371693538	/nfs/dbraw/zinc/69/35/38/371693538.db2.gz	CAHVYSLXINOCCC-UHFFFAOYSA-N	0	0	183.210	3.289	10	0		AGAERN
CCc1ccc(C[Si](C)(C)C)nc1	196210075	371693579	/nfs/dbraw/zinc/69/35/79/371693579.db2.gz	KYLXMVSQYUCVKJ-UHFFFAOYSA-N	0	0	193.366	3.064	10	0		AGAERN
CCCOC(OCCC)c1ccco1	196363246	371694485	/nfs/dbraw/zinc/69/44/85/371694485.db2.gz	SPTCCXLHXZTKOQ-UHFFFAOYSA-N	0	0	198.262	3.131	10	0		AGAERN
CC[Si](CC)(CC)n1cccc1	196361956	371694521	/nfs/dbraw/zinc/69/45/21/371694521.db2.gz	YLMYDVQLVZXWIM-UHFFFAOYSA-N	0	0	181.355	3.341	10	0		AGAERN
C/C1=C\CCCCC(=O)CCC1	198544937	371698016	/nfs/dbraw/zinc/69/80/16/371698016.db2.gz	HNZRUPSHKQVDJN-UXBLZVDNSA-N	0	0	166.264	3.246	10	0		AGAERN
C/C=C\[C@@H](C)c1ccccc1	198619288	371698518	/nfs/dbraw/zinc/69/85/18/371698518.db2.gz	RSNZJWXIEBZSTE-WXGCRTCVSA-N	0	0	146.233	3.366	10	0		AGAERN
CCS[C@@H](C)CC(C)C	200372579	371700841	/nfs/dbraw/zinc/70/08/41/371700841.db2.gz	TXUDTEGLHRYUHY-QMMMGPOBSA-N	0	0	146.299	3.174	10	0		AGAERN
CCS[C@H](C)CC(C)C	200372610	371700944	/nfs/dbraw/zinc/70/09/44/371700944.db2.gz	TXUDTEGLHRYUHY-MRVPVSSYSA-N	0	0	146.299	3.174	10	0		AGAERN
CCCCCSC1CCOCC1	200655807	371701942	/nfs/dbraw/zinc/70/19/42/371701942.db2.gz	GFOHQUHAGOUVJH-UHFFFAOYSA-N	0	0	188.336	3.089	10	0		AGAERN
C(=C/c1ccoc1)\c1ccoc1	205026407	371705740	/nfs/dbraw/zinc/70/57/40/371705740.db2.gz	PXJCYTAPKNXIOC-OWOJBTEDSA-N	0	0	160.172	3.043	10	0		AGAERN
C/C=C(/C)CCc1ccccc1O	205055989	371705824	/nfs/dbraw/zinc/70/58/24/371705824.db2.gz	AZGJXOYHKIHDRX-KMKOMSMNSA-N	0	0	176.259	3.291	10	0		AGAERN
C[C@@H]1CCC[C@H]1Sc1ccccn1	211665661	371708062	/nfs/dbraw/zinc/70/80/62/371708062.db2.gz	WHBUGTWFRBCJKX-NXEZZACHSA-N	0	0	193.315	3.362	10	0		AGAERN
C[C@@H](c1cccc(C=O)c1)C1CC1	222955903	371718147	/nfs/dbraw/zinc/71/81/47/371718147.db2.gz	XHYIFDWIQSEGEH-SECBINFHSA-N	0	0	174.243	3.013	10	0		AGAERN
Cc1cc(OCF)c(F)cc1Cl	307189851	371775093	/nfs/dbraw/zinc/77/50/93/371775093.db2.gz	VJOUYPXRXKIGCV-UHFFFAOYSA-N	0	0	192.592	3.093	10	0		AGAERN
CC1(C)CCC[C@H]2C[C@@](C)(O)CC[C@@H]21	238212953	371726024	/nfs/dbraw/zinc/72/60/24/371726024.db2.gz	ZQNQUNNLSOTEJY-GVXVVHGQSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1(C)CCC[C@@]2(C)C[C@@]12/C=C/CO	238213933	371726171	/nfs/dbraw/zinc/72/61/71/371726171.db2.gz	RGVKHZUADRDKPD-BVAIOKDQSA-N	0	0	194.318	3.141	10	0		AGAERN
CCC[C@H](C)C[C@@H](C)C[C@H](C)CO	256108430	371739291	/nfs/dbraw/zinc/73/92/91/371739291.db2.gz	KBNJXYZUBZXXHR-TUAOUCFPSA-N	0	0	186.339	3.467	10	0		AGAERN
CC[C@@H](C1CC1)n1c(C)ccc1C	306499207	371758042	/nfs/dbraw/zinc/75/80/42/371758042.db2.gz	IIYXPNACWVIGOU-LBPRGKRZSA-N	0	0	177.291	3.466	10	0		AGAERN
CC[C@H](C1CC1)n1c(C)ccc1C	306499206	371758305	/nfs/dbraw/zinc/75/83/05/371758305.db2.gz	IIYXPNACWVIGOU-GFCCVEGCSA-N	0	0	177.291	3.466	10	0		AGAERN
Cc1cccc([C@H]2CC[C@@H](C)O2)c1	584625967	371839475	/nfs/dbraw/zinc/83/94/75/371839475.db2.gz	VGBXMBSFXMHTIS-ZYHUDNBSSA-N	0	0	176.259	3.235	10	0		AGAERN
CCC(=O)[C@@]1(C)CC[C@H](C)C1(C)C	575496860	371826088	/nfs/dbraw/zinc/82/60/88/371826088.db2.gz	SXOKRCCLJWPMEX-JOYOIKCWSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	575496852	371826119	/nfs/dbraw/zinc/82/61/19/371826119.db2.gz	SXOKRCCLJWPMEX-BXKDBHETSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(=O)[C@]1(C)CC[C@@H](C)C1(C)C	575496861	371826193	/nfs/dbraw/zinc/82/61/93/371826193.db2.gz	SXOKRCCLJWPMEX-SKDRFNHKSA-N	0	0	182.307	3.428	10	0		AGAERN
CCC(=O)[C@]1(C)CC[C@H](C)C1(C)C	575496853	371826269	/nfs/dbraw/zinc/82/62/69/371826269.db2.gz	SXOKRCCLJWPMEX-CABZTGNLSA-N	0	0	182.307	3.428	10	0		AGAERN
CCc1c(SC)ccc(C=O)c1C	575703339	371834909	/nfs/dbraw/zinc/83/49/09/371834909.db2.gz	KOQWITLBXYXKBR-UHFFFAOYSA-N	0	0	194.299	3.092	10	0		AGAERN
Fc1cccc(/C=C/C(F)(F)F)c1	584609547	371836606	/nfs/dbraw/zinc/83/66/06/371836606.db2.gz	PCNZGBFOGVFSQG-SNAWJCMRSA-N	0	0	190.139	3.401	10	0		AGAERN
CC(C)c1cc(N)c(N)cc1C(C)C	584614458	371837285	/nfs/dbraw/zinc/83/72/85/371837285.db2.gz	ZHFZNIWMLXWUET-UHFFFAOYSA-N	0	0	192.306	3.098	10	0		AGAERN
C[C@H]1CC[C@@H](c2cccc(F)c2)O1	584621402	371837753	/nfs/dbraw/zinc/83/77/53/371837753.db2.gz	CFNINFIMYBINPX-KWQFWETISA-N	0	0	180.222	3.066	10	0		AGAERN
C[C@@H]1CC[C@@H](c2cccc(F)c2)O1	584621401	371837764	/nfs/dbraw/zinc/83/77/64/371837764.db2.gz	CFNINFIMYBINPX-KCJUWKMLSA-N	0	0	180.222	3.066	10	0		AGAERN
C[C@@]1(c2cccc(F)c2)C=CCS1	584621404	371837767	/nfs/dbraw/zinc/83/77/67/371837767.db2.gz	CITFKWXMWIITLG-NSHDSACASA-N	0	0	194.274	3.344	10	0		AGAERN
C[C@H]1CC[C@H](c2cccc(F)c2)O1	584621400	371837788	/nfs/dbraw/zinc/83/77/88/371837788.db2.gz	CFNINFIMYBINPX-GZMMTYOYSA-N	0	0	180.222	3.066	10	0		AGAERN
C=C(c1ccccc1)c1nccs1	584621461	371837794	/nfs/dbraw/zinc/83/77/94/371837794.db2.gz	QLGBFTXCGFCSHY-UHFFFAOYSA-N	0	0	187.267	3.205	10	0		AGAERN
C[C@@H]1CC[C@H](c2cccc(F)c2)O1	584621403	371837811	/nfs/dbraw/zinc/83/78/11/371837811.db2.gz	CFNINFIMYBINPX-LDYMZIIASA-N	0	0	180.222	3.066	10	0		AGAERN
Cc1cnc(-c2ccc(Cl)s2)o1	584623389	371838668	/nfs/dbraw/zinc/83/86/68/371838668.db2.gz	QYIALNBZJOHNEN-UHFFFAOYSA-N	0	0	199.662	3.365	10	0		AGAERN
CC(C)=CCc1ccc(C)o1	584625951	371839557	/nfs/dbraw/zinc/83/95/57/371839557.db2.gz	PBNPTORGZOLZCB-UHFFFAOYSA-N	0	0	150.221	3.097	10	0		AGAERN
Cc1cccc([C@@H]2CC[C@@H](C)O2)c1	584625966	371839560	/nfs/dbraw/zinc/83/95/60/371839560.db2.gz	VGBXMBSFXMHTIS-PWSUYJOCSA-N	0	0	176.259	3.235	10	0		AGAERN
Cc1cccc([C@H]2CC[C@H](C)O2)c1	584625964	371839571	/nfs/dbraw/zinc/83/95/71/371839571.db2.gz	VGBXMBSFXMHTIS-CMPLNLGQSA-N	0	0	176.259	3.235	10	0		AGAERN
Cc1cccc([C@@H]2CC[C@H](C)O2)c1	584625965	371839605	/nfs/dbraw/zinc/83/96/05/371839605.db2.gz	VGBXMBSFXMHTIS-JQWIXIFHSA-N	0	0	176.259	3.235	10	0		AGAERN
Cc1ccc2[nH]cc(CC(F)F)c2c1	584630141	371840322	/nfs/dbraw/zinc/84/03/22/371840322.db2.gz	MIJJGSPEAYVVCE-UHFFFAOYSA-N	0	0	195.212	3.284	10	0		AGAERN
C[C@@H]1C=CC2=C(CCCC2)C1	584639876	371842036	/nfs/dbraw/zinc/84/20/36/371842036.db2.gz	YEENPPMTYMGNGF-SECBINFHSA-N	0	0	148.249	3.453	10	0		AGAERN
C[C@H]1C=CC2=C(CCCC2)C1	584639877	371842112	/nfs/dbraw/zinc/84/21/12/371842112.db2.gz	YEENPPMTYMGNGF-VIFPVBQESA-N	0	0	148.249	3.453	10	0		AGAERN
CC(C)/C=C1\CC[C@](C)(CCO)C1	584658641	371843552	/nfs/dbraw/zinc/84/35/52/371843552.db2.gz	DNEBHYLQZUDYHR-JATZPVMKSA-N	0	0	182.307	3.141	10	0		AGAERN
CC(C)[C@@H]1CC[C@@]2(C)CCC(=O)[C@@H]12	584658543	371843639	/nfs/dbraw/zinc/84/36/39/371843639.db2.gz	DCPDVALHTYIPBM-WCQGTBRESA-N	0	0	180.291	3.038	10	0		AGAERN
C=Cc1cnn(CC2CCCCC2)c1	585143152	371844723	/nfs/dbraw/zinc/84/47/23/371844723.db2.gz	XOJXRRSOIODTFI-UHFFFAOYSA-N	0	0	190.290	3.106	10	0		AGAERN
COC(=O)C(C)(C)CC1CC(C)(C)C1	585143224	371844881	/nfs/dbraw/zinc/84/48/81/371844881.db2.gz	KUNONXYNBGXTLW-UHFFFAOYSA-N	0	0	198.306	3.012	10	0		AGAERN
C=Cc1ccccc1OCCSC	596294499	371860049	/nfs/dbraw/zinc/86/00/49/371860049.db2.gz	KZVYDUKADCMLPI-UHFFFAOYSA-N	0	0	194.299	3.071	10	0		AGAERN
CC1(C)CC(F)(F)c2cc(N)ccc21	606303747	371863161	/nfs/dbraw/zinc/86/31/61/371863161.db2.gz	GVKJOFHLECJBTG-UHFFFAOYSA-N	0	0	197.228	3.042	10	0		AGAERN
c1coc(-c2cccc3cnccc23)c1	644614928	371888298	/nfs/dbraw/zinc/88/82/98/371888298.db2.gz	ZSWZGPYHNGWOKN-UHFFFAOYSA-N	0	0	195.221	3.495	10	0		AGAERN
c1coc(-c2ccnc3ccccc23)c1	644614902	371888424	/nfs/dbraw/zinc/88/84/24/371888424.db2.gz	WKVXGUSOHHKVMD-UHFFFAOYSA-N	0	0	195.221	3.495	10	0		AGAERN
Cc1c2c(nc3sccc13)CCC2	644620386	371890105	/nfs/dbraw/zinc/89/01/05/371890105.db2.gz	SMQSOUIPICUXEW-UHFFFAOYSA-N	0	0	189.283	3.093	10	0		AGAERN
CCc1nc2sccc2c(C)c1C	644620348	371890112	/nfs/dbraw/zinc/89/01/12/371890112.db2.gz	JWYONNYIQQADSG-UHFFFAOYSA-N	0	0	191.299	3.476	10	0		AGAERN
CC1=CCO[C@H](c2ccccc2)C1	2506615	375286528	/nfs/dbraw/zinc/28/65/28/375286528.db2.gz	SWOPLXXJAVYFPY-LBPRGKRZSA-N	0	0	174.243	3.094	10	0		AGAERN
c1coc(-c2ccc3ccccc3n2)c1	35940127	375295756	/nfs/dbraw/zinc/29/57/56/375295756.db2.gz	TUDZVSAQKLCUOT-UHFFFAOYSA-N	0	0	195.221	3.495	10	0		AGAERN
CC[C@H](O)CCC1CCCCC1	39074480	375297614	/nfs/dbraw/zinc/29/76/14/375297614.db2.gz	BGVFQNCVKDJSAO-NSHDSACASA-N	0	0	170.296	3.118	10	0		AGAERN
CC1(c2ccccc2)CCC1	78846902	375350963	/nfs/dbraw/zinc/35/09/63/375350963.db2.gz	GRDSPXXZEBFXHZ-UHFFFAOYSA-N	0	0	146.233	3.128	10	0		AGAERN
CCCc1ccccc1OC(C)C	201476991	375408042	/nfs/dbraw/zinc/40/80/42/375408042.db2.gz	LEVJAFQJMRYDEO-UHFFFAOYSA-N	0	0	178.275	3.426	10	0		AGAERN
c1coc(-c2cccc3ccncc23)c1	202058264	375409242	/nfs/dbraw/zinc/40/92/42/375409242.db2.gz	CJQBGHNWSFNVIJ-UHFFFAOYSA-N	0	0	195.221	3.495	10	0		AGAERN
CSCc1c(C)cccc1C	201779440	375409274	/nfs/dbraw/zinc/40/92/74/375409274.db2.gz	DEXJVZHSDJCJJG-UHFFFAOYSA-N	0	0	166.289	3.166	10	0		AGAERN
C=C=C(C)c1ccccc1C	202205283	375409876	/nfs/dbraw/zinc/40/98/76/375409876.db2.gz	JTJPPFCRYMWOLC-UHFFFAOYSA-N	0	0	144.217	3.183	10	0		AGAERN
C/C=C/CNc1cc(F)ccc1C	220139340	375421030	/nfs/dbraw/zinc/42/10/30/375421030.db2.gz	BVNMSPLTPCKLST-ONEGZZNKSA-N	0	0	179.238	3.122	10	0		AGAERN
C/C=C/CNc1ccc(F)cc1Cl	220138929	375421098	/nfs/dbraw/zinc/42/10/98/375421098.db2.gz	PMCWJLWSIFFEBM-NSCUHMNNSA-N	0	0	199.656	3.467	10	0		AGAERN
C/C=C/CNc1ccc(Cl)cc1F	220139139	375421187	/nfs/dbraw/zinc/42/11/87/375421187.db2.gz	UJHGVFJJPKJMPK-NSCUHMNNSA-N	0	0	199.656	3.467	10	0		AGAERN
Cc1ccc(C(F)(F)F)c(F)c1C	222911046	375421884	/nfs/dbraw/zinc/42/18/84/375421884.db2.gz	ZNEZMYWASICULN-UHFFFAOYSA-N	0	0	192.155	3.461	10	0		AGAERN
CC1CCC2(CC1)CCC(CO)CC2	238180272	375427092	/nfs/dbraw/zinc/42/70/92/375427092.db2.gz	CNQBZLVVVYDUDX-UHFFFAOYSA-N	0	0	196.334	3.365	10	0		AGAERN
CCc1nc(C(F)(F)F)sc1C	306477980	375448020	/nfs/dbraw/zinc/44/80/20/375448020.db2.gz	KUFHFQFESQJIHT-UHFFFAOYSA-N	0	0	195.209	3.033	10	0		AGAERN
C[C@]1(Nc2nccs2)CC=CCC1	306773334	375459539	/nfs/dbraw/zinc/45/95/39/375459539.db2.gz	AGQJPIAIKZIZOF-JTQLQIEISA-N	0	0	194.303	3.054	10	0		AGAERN
FCc1ccc(F)c(F)c1Cl	306969681	375462684	/nfs/dbraw/zinc/46/26/84/375462684.db2.gz	INEPFKVVKUTPTP-UHFFFAOYSA-N	0	0	180.556	3.088	10	0		AGAERN
FCc1cc(F)c(Cl)c(F)c1	307384722	375470855	/nfs/dbraw/zinc/47/08/55/375470855.db2.gz	JVYBYXWRFYQOFT-UHFFFAOYSA-N	0	0	180.556	3.088	10	0		AGAERN
Cc1cc(CSCC2CCC2)no1	388342151	375498924	/nfs/dbraw/zinc/49/89/24/375498924.db2.gz	KDUULXHTRZHSLR-UHFFFAOYSA-N	0	0	197.303	3.016	10	0		AGAERN
CCc1ccc(F)c(SC)c1C	575703283	375552087	/nfs/dbraw/zinc/55/20/87/375552087.db2.gz	ZBZQVLSKWZEKTP-UHFFFAOYSA-N	0	0	184.279	3.418	10	0		AGAERN
CCc1ccc(SC)c(C)c1F	575703068	375552281	/nfs/dbraw/zinc/55/22/81/375552281.db2.gz	WIYUMXNSTCFCSU-UHFFFAOYSA-N	0	0	184.279	3.418	10	0		AGAERN
CCc1ccc(SC)c(C=O)c1C	575702944	375552304	/nfs/dbraw/zinc/55/23/04/375552304.db2.gz	ISYMYPZKDKLYQZ-UHFFFAOYSA-N	0	0	194.299	3.092	10	0		AGAERN
CC=C=Cc1cc(C)cc(C)c1	584613882	375553304	/nfs/dbraw/zinc/55/33/04/375553304.db2.gz	OQWUMHVDAKPNKL-UHFFFAOYSA-N	0	0	158.244	3.492	10	0		AGAERN
c1coc(Cc2nc3ccccc3o2)c1	584621371	375554174	/nfs/dbraw/zinc/55/41/74/375554174.db2.gz	ZIIDVDXUJSTBLQ-UHFFFAOYSA-N	0	0	199.209	3.012	10	0		AGAERN
CCCCCCC(=O)c1nccs1	584621050	375554203	/nfs/dbraw/zinc/55/42/03/375554203.db2.gz	MGMSHDBGWDLCBQ-UHFFFAOYSA-N	0	0	197.303	3.296	10	0		AGAERN
Cc1sc2c(c1C)[C@@H](C)[C@@H](C)C2=O	584634571	375554709	/nfs/dbraw/zinc/55/47/09/375554709.db2.gz	MPCGZZXEQVTCNE-NTSWFWBYSA-N	0	0	194.299	3.301	10	0		AGAERN
Cc1sc2c(c1C)[C@H](C)[C@H](C)C2=O	584634576	375554755	/nfs/dbraw/zinc/55/47/55/375554755.db2.gz	MPCGZZXEQVTCNE-RITPCOANSA-N	0	0	194.299	3.301	10	0		AGAERN
Cc1sc2c(c1C)[C@H](C)[C@@H](C)C2=O	584634575	375554811	/nfs/dbraw/zinc/55/48/11/375554811.db2.gz	MPCGZZXEQVTCNE-PHDIDXHHSA-N	0	0	194.299	3.301	10	0		AGAERN
Cc1sc2c(c1C)[C@@H](C)[C@H](C)C2=O	584634577	375554849	/nfs/dbraw/zinc/55/48/49/375554849.db2.gz	MPCGZZXEQVTCNE-WDSKDSINSA-N	0	0	194.299	3.301	10	0		AGAERN
C=C(OCC)c1ccc2ncccc2c1	584651580	375555375	/nfs/dbraw/zinc/55/53/75/375555375.db2.gz	IGWSPNONUCMVNY-UHFFFAOYSA-N	0	0	199.253	3.242	10	0		AGAERN
C1=C2CCC3=CSC3=C2S1	584651934	375555436	/nfs/dbraw/zinc/55/54/36/375555436.db2.gz	MXBNLOBDNNUUHL-UHFFFAOYSA-N	0	0	166.270	3.253	10	0		AGAERN
CC(C)Nc1ccc(C2CCC2)cn1	646283596	375588754	/nfs/dbraw/zinc/58/87/54/375588754.db2.gz	HOWLTNQSGUXKNY-UHFFFAOYSA-N	0	0	190.290	3.169	10	0		AGAERN
CCCCC(=O)NC(C)(C)C(C)(C)C	646467345	375592838	/nfs/dbraw/zinc/59/28/38/375592838.db2.gz	MNNHOYZZPCNKMN-UHFFFAOYSA-N	0	0	199.338	3.118	10	0		AGAERN
C1=C(CSc2ccccn2)CCC1	647114313	375623116	/nfs/dbraw/zinc/62/31/16/375623116.db2.gz	GNVGOTZXRWYTBL-UHFFFAOYSA-N	0	0	191.299	3.284	10	0		AGAERN
CC/C=C/CCn1cc(C(C)C)cn1	647163154	375627903	/nfs/dbraw/zinc/62/79/03/375627903.db2.gz	IBZYQNMXIWXWJH-AATRIKPKSA-N	0	0	192.306	3.363	10	0		AGAERN
CC(C)c1cnn(CCCCCF)c1	647163144	375628125	/nfs/dbraw/zinc/62/81/25/375628125.db2.gz	GZRZPHYOBBFQLC-UHFFFAOYSA-N	0	0	198.285	3.146	10	0		AGAERN
CC/C=C\CCn1cc(C(C)C)cn1	647163155	375628276	/nfs/dbraw/zinc/62/82/76/375628276.db2.gz	IBZYQNMXIWXWJH-WAYWQWQTSA-N	0	0	192.306	3.363	10	0		AGAERN
CCCCCNC(=O)CCCC(C)C	648071299	375687938	/nfs/dbraw/zinc/68/79/38/375687938.db2.gz	NJJMDKBNTVHDCH-UHFFFAOYSA-N	0	0	199.338	3.119	10	0		AGAERN
CCC(CC)NC(=O)CCCC(C)C	648080132	375692143	/nfs/dbraw/zinc/69/21/43/375692143.db2.gz	LWBHMMLQQLQASF-UHFFFAOYSA-N	0	0	199.338	3.118	10	0		AGAERN
CCCCN(C)C(=O)CCCC(C)C	648119861	375694224	/nfs/dbraw/zinc/69/42/24/375694224.db2.gz	ZXYWSBMHPMGZIX-UHFFFAOYSA-N	0	0	199.338	3.071	10	0		AGAERN
CCC(C)(C)NC(=O)CCCC(C)C	648119481	375694377	/nfs/dbraw/zinc/69/43/77/375694377.db2.gz	CZFXPQINGWXVFN-UHFFFAOYSA-N	0	0	199.338	3.118	10	0		AGAERN
CCC[C@@H](C)NC(=O)CCCC(C)C	648116950	375694386	/nfs/dbraw/zinc/69/43/86/375694386.db2.gz	SRMDRXILFFMMBL-LLVKDONJSA-N	0	0	199.338	3.118	10	0		AGAERN
CCC[C@H](C)NC(=O)CCCC(C)C	648116951	375694397	/nfs/dbraw/zinc/69/43/97/375694397.db2.gz	SRMDRXILFFMMBL-NSHDSACASA-N	0	0	199.338	3.118	10	0		AGAERN
CCCN(CC)C(=O)CCCC(C)C	648135116	375695478	/nfs/dbraw/zinc/69/54/78/375695478.db2.gz	PPKGJRZLFRHHFG-UHFFFAOYSA-N	0	0	199.338	3.071	10	0		AGAERN
CC[C@@H](C)N(C)C(=O)CCCC(C)C	648231935	375706412	/nfs/dbraw/zinc/70/64/12/375706412.db2.gz	SCBSAJZPUWHJGT-LLVKDONJSA-N	0	0	199.338	3.070	10	0		AGAERN
CC[C@H](C)N(C)C(=O)CCCC(C)C	648231936	375706438	/nfs/dbraw/zinc/70/64/38/375706438.db2.gz	SCBSAJZPUWHJGT-NSHDSACASA-N	0	0	199.338	3.070	10	0		AGAERN
CC(C)CCCC(=O)N(C)C(C)(C)C	648593812	375720230	/nfs/dbraw/zinc/72/02/30/375720230.db2.gz	QPMHAQBWVAKHQV-UHFFFAOYSA-N	0	0	199.338	3.070	10	0		AGAERN
CCc1ccc(NC(C)C)cc1OC	648805157	375748679	/nfs/dbraw/zinc/74/86/79/375748679.db2.gz	CLSSPPCSWICOII-UHFFFAOYSA-N	0	0	193.290	3.078	10	0		AGAERN
CC/C(C)=C/c1nc(CC(C)C)no1	651149474	409322695	/nfs/dbraw/zinc/32/26/95/409322695.db2.gz	DNQIRCCLAXMZEG-VQHVLOKHSA-N	0	0	194.278	3.081	10	0		AGAERN
CC/C(C)=C\c1nc(CC(C)C)no1	651149473	409322720	/nfs/dbraw/zinc/32/27/20/409322720.db2.gz	DNQIRCCLAXMZEG-CLFYSBASSA-N	0	0	194.278	3.081	10	0		AGAERN
CC(C)CCCc1nc(C(C)C)no1	651163867	409322759	/nfs/dbraw/zinc/32/27/59/409322759.db2.gz	WISWLTHGJLDHAV-UHFFFAOYSA-N	0	0	196.294	3.172	10	0		AGAERN
CCC[C@H](C)c1nc(C2(C)CC2)no1	651421428	409330783	/nfs/dbraw/zinc/33/07/83/409330783.db2.gz	AHQGEDLBUKBKHF-QMMMGPOBSA-N	0	0	194.278	3.025	10	0		AGAERN
CCC(CC)c1nc(C2(C)CC2)no1	651421449	409330885	/nfs/dbraw/zinc/33/08/85/409330885.db2.gz	JLAXSTGAGSGOJX-UHFFFAOYSA-N	0	0	194.278	3.025	10	0		AGAERN
CCC[C@@H](C)c1nc(C2(C)CC2)no1	651421427	409331262	/nfs/dbraw/zinc/33/12/62/409331262.db2.gz	AHQGEDLBUKBKHF-MRVPVSSYSA-N	0	0	194.278	3.025	10	0		AGAERN
CCc1ccc(-c2ccccc2N)cc1	38069344	409340702	/nfs/dbraw/zinc/34/07/02/409340702.db2.gz	IDLPPBPASSBTBP-UHFFFAOYSA-N	0	0	197.281	3.498	10	0		AGAERN
c1coc(-c2cncc3ccccc23)c1	38350680	409341801	/nfs/dbraw/zinc/34/18/01/409341801.db2.gz	NHUBTKKZDOBQBP-UHFFFAOYSA-N	0	0	195.221	3.495	10	0		AGAERN
CCc1ccncc1N[C@H](C)C(C)C	651979317	409342620	/nfs/dbraw/zinc/34/26/20/409342620.db2.gz	IWQNYJOJIWYWKZ-SNVBAGLBSA-N	0	0	192.306	3.100	10	0		AGAERN
CCc1ccncc1N[C@@H](C)C(C)C	651979316	409343351	/nfs/dbraw/zinc/34/33/51/409343351.db2.gz	IWQNYJOJIWYWKZ-JTQLQIEISA-N	0	0	192.306	3.100	10	0		AGAERN
Cc1nc(-c2ccco2)sc1C	41200831	409345886	/nfs/dbraw/zinc/34/58/86/409345886.db2.gz	GTZWALQOJSCMLL-UHFFFAOYSA-N	0	0	179.244	3.020	10	0		AGAERN
Cc1cnn(CCC(C)(C)C2CC2)c1	655670099	409413130	/nfs/dbraw/zinc/41/31/30/409413130.db2.gz	WXQRMWXMDWIUGJ-UHFFFAOYSA-N	0	0	192.306	3.018	10	0		AGAERN
c1cnn(CCC2CCCCCC2)c1	655669537	409413961	/nfs/dbraw/zinc/41/39/61/409413961.db2.gz	FKRAZDOQMBXDST-UHFFFAOYSA-N	0	0	192.306	3.244	10	0		AGAERN
c1nn(C2CCCC2)cc1C1CCC1	655690670	409415600	/nfs/dbraw/zinc/41/56/00/409415600.db2.gz	HZNOIZKRILHZSM-UHFFFAOYSA-N	0	0	190.290	3.266	10	0		AGAERN
CCCCCn1cc(C2CCC2)cn1	655689405	409416078	/nfs/dbraw/zinc/41/60/78/409416078.db2.gz	CNUDFNFSXACYKL-UHFFFAOYSA-N	0	0	192.306	3.341	10	0		AGAERN
CCC/C=C\c1nc([C@@H]2C[C@H]2C)no1	656189416	409422056	/nfs/dbraw/zinc/42/20/56/409422056.db2.gz	ZDXIPTXQQFELEO-JJKLJZTJSA-N	0	0	192.262	3.006	10	0		AGAERN
CCC/C=C/c1nc([C@@H]2C[C@H]2C)no1	656189417	409422149	/nfs/dbraw/zinc/42/21/49/409422149.db2.gz	ZDXIPTXQQFELEO-JKKBLNIGSA-N	0	0	192.262	3.006	10	0		AGAERN
C/C=C(\CC)c1nc([C@@H]2C[C@@H]2C)no1	656189396	409422175	/nfs/dbraw/zinc/42/21/75/409422175.db2.gz	XNGABCXSQWZJED-VPTUDDBQSA-N	0	0	192.262	3.006	10	0		AGAERN
CCC/C=C\c1nc([C@@H]2C[C@@H]2C)no1	656189415	409422221	/nfs/dbraw/zinc/42/22/21/409422221.db2.gz	ZDXIPTXQQFELEO-FEDQFDDPSA-N	0	0	192.262	3.006	10	0		AGAERN
C/C=C(/CC)c1nc([C@@H]2C[C@@H]2C)no1	656189398	409422486	/nfs/dbraw/zinc/42/24/86/409422486.db2.gz	XNGABCXSQWZJED-ZFOYQSGISA-N	0	0	192.262	3.006	10	0		AGAERN
C/C=C(\CC)c1nc([C@@H]2C[C@H]2C)no1	656189397	409422581	/nfs/dbraw/zinc/42/25/81/409422581.db2.gz	XNGABCXSQWZJED-YEPVEMNMSA-N	0	0	192.262	3.006	10	0		AGAERN
C/C=C(/CC)c1nc([C@@H]2C[C@H]2C)no1	656189395	409422666	/nfs/dbraw/zinc/42/26/66/409422666.db2.gz	XNGABCXSQWZJED-NMTTVDAISA-N	0	0	192.262	3.006	10	0		AGAERN
CCC/C=C/c1nc([C@@H]2C[C@@H]2C)no1	656189418	409422828	/nfs/dbraw/zinc/42/28/28/409422828.db2.gz	ZDXIPTXQQFELEO-VFPASMGPSA-N	0	0	192.262	3.006	10	0		AGAERN
CNc1ccc2c(c1)C=CCCC2	656666854	409444473	/nfs/dbraw/zinc/44/44/73/409444473.db2.gz	RZGGEHNCYXVFHU-UHFFFAOYSA-N	0	0	173.259	3.078	10	0		AGAERN
CCc1cccc(N(C)CCCF)c1	656673524	409444598	/nfs/dbraw/zinc/44/45/98/409444598.db2.gz	HKAIGAMXJWMMAA-UHFFFAOYSA-N	0	0	195.281	3.045	10	0		AGAERN
CCNc1ccc2c(c1)C=CCCC2	656666485	409445536	/nfs/dbraw/zinc/44/55/36/409445536.db2.gz	BSRVRKKXBHQVOH-UHFFFAOYSA-N	0	0	187.286	3.468	10	0		AGAERN
CC(C)c1noc([C@H]2CCC2(C)C)n1	656753585	409449049	/nfs/dbraw/zinc/44/90/49/409449049.db2.gz	PNGMRJWYOSWLKL-MRVPVSSYSA-N	0	0	194.278	3.097	10	0		AGAERN
CCCCOc1ccccc1OCC	103210228	409449736	/nfs/dbraw/zinc/44/97/36/409449736.db2.gz	FJXRCFKJGXPJGE-UHFFFAOYSA-N	0	0	194.274	3.264	10	0		AGAERN
CCCCOc1ccc(OCC)cc1	103211923	409449990	/nfs/dbraw/zinc/44/99/90/409449990.db2.gz	HPURGUWAHVUCHJ-UHFFFAOYSA-N	0	0	194.274	3.264	10	0		AGAERN
CC(C)c1noc([C@@H]2CCC2(C)C)n1	656753586	409450538	/nfs/dbraw/zinc/45/05/38/409450538.db2.gz	PNGMRJWYOSWLKL-QMMMGPOBSA-N	0	0	194.278	3.097	10	0		AGAERN
CCCc1nccn1CCC=C(C)C	657253745	409462204	/nfs/dbraw/zinc/46/22/04/409462204.db2.gz	GUAGWDPAVPTMNS-UHFFFAOYSA-N	0	0	192.306	3.192	10	0		AGAERN
CC(C)=CCCSc1ncco1	657258979	409462510	/nfs/dbraw/zinc/46/25/10/409462510.db2.gz	AXHBFIORFBFLHP-UHFFFAOYSA-N	0	0	183.276	3.123	10	0		AGAERN
CCC(CC)CSc1cccnn1	657255512	409462912	/nfs/dbraw/zinc/46/29/12/409462912.db2.gz	RLNRQWKLHQABGK-UHFFFAOYSA-N	0	0	196.319	3.005	10	0		AGAERN
c1coc(SCCCC2CCC2)n1	657259014	409463109	/nfs/dbraw/zinc/46/31/09/409463109.db2.gz	CWGPYULDGBUMEB-UHFFFAOYSA-N	0	0	197.303	3.347	10	0		AGAERN
Cc1cnc(SC2CCC2)c(C)c1	657280148	409465525	/nfs/dbraw/zinc/46/55/25/409465525.db2.gz	GEPARUARJZXCLZ-UHFFFAOYSA-N	0	0	193.315	3.343	10	0		AGAERN
CCCN1Cc2ccc(Cl)cc2C1	657304035	409469746	/nfs/dbraw/zinc/46/97/46/409469746.db2.gz	YCPGMEQYPKRAIW-UHFFFAOYSA-N	0	0	195.693	3.066	10	0		AGAERN
CC(C)N1Cc2ccc(Cl)cc2C1	657303958	409469862	/nfs/dbraw/zinc/46/98/62/409469862.db2.gz	CEIVGHRIFJUKCS-UHFFFAOYSA-N	0	0	195.693	3.064	10	0		AGAERN
CC(C)Sc1csc(C=O)c1	160632843	409501865	/nfs/dbraw/zinc/50/18/65/409501865.db2.gz	LGVBMRLLLZVHDV-UHFFFAOYSA-N	0	0	186.301	3.061	10	0		AGAERN
c1ccc(N[C@@H]2CCCC23CC3)cc1	657909411	409502184	/nfs/dbraw/zinc/50/21/84/409502184.db2.gz	FXWVVUNBAZGSIZ-GFCCVEGCSA-N	0	0	187.286	3.431	10	0		AGAERN
c1ccc(N[C@H]2CCCC23CC3)cc1	657909414	409502294	/nfs/dbraw/zinc/50/22/94/409502294.db2.gz	FXWVVUNBAZGSIZ-LBPRGKRZSA-N	0	0	187.286	3.431	10	0		AGAERN
Cc1ccc2c(n1)CCCCCC2	196433369	409506828	/nfs/dbraw/zinc/50/68/28/409506828.db2.gz	JZGTYUWQSKHPKI-UHFFFAOYSA-N	0	0	175.275	3.049	10	0		AGAERN
CC[C@H](C)[NH2+]CC(F)(F)C(C)(C)C	658336775	409517215	/nfs/dbraw/zinc/51/72/15/409517215.db2.gz	KKENACQAWGYGIM-QMMMGPOBSA-N	0	0	193.281	3.056	10	0		AGAERN
CC[C@@H](C)[NH2+]CC(F)(F)C(C)(C)C	658336774	409518280	/nfs/dbraw/zinc/51/82/80/409518280.db2.gz	KKENACQAWGYGIM-MRVPVSSYSA-N	0	0	193.281	3.056	10	0		AGAERN
Cc1ccccc1N[C@@H]1C[C@H](C)[C@@H]1C	306218103	409548422	/nfs/dbraw/zinc/54/84/22/409548422.db2.gz	KXIKUMWXIIYYLE-GMXVVIOVSA-N	0	0	189.302	3.451	10	0		AGAERN
Cc1ccccc1N[C@@H]1C[C@H](C)[C@H]1C	306218102	409548453	/nfs/dbraw/zinc/54/84/53/409548453.db2.gz	KXIKUMWXIIYYLE-DMDPSCGWSA-N	0	0	189.302	3.451	10	0		AGAERN
Cc1ccccc1N[C@@H]1C[C@@H](C)[C@H]1C	306218104	409548529	/nfs/dbraw/zinc/54/85/29/409548529.db2.gz	KXIKUMWXIIYYLE-NQBHXWOUSA-N	0	0	189.302	3.451	10	0		AGAERN
Cc1ccccc1N[C@@H]1C[C@@H](C)[C@@H]1C	306218105	409548564	/nfs/dbraw/zinc/54/85/64/409548564.db2.gz	KXIKUMWXIIYYLE-NTZNESFSSA-N	0	0	189.302	3.451	10	0		AGAERN
C[C@@H]1C[C@H](Nc2ccccc2F)[C@@H]1C	306254736	409549985	/nfs/dbraw/zinc/54/99/85/409549985.db2.gz	LYYOOBIDGYYSTL-LNLATYFQSA-N	0	0	193.265	3.282	10	0		AGAERN
C[C@H]1[C@H](C)C[C@H]1Nc1ccccc1F	306254738	409550266	/nfs/dbraw/zinc/55/02/66/409550266.db2.gz	LYYOOBIDGYYSTL-VDDIYKPWSA-N	0	0	193.265	3.282	10	0		AGAERN
C[C@@H]1C[C@@H](Nc2ccccc2F)[C@@H]1C	306254735	409550652	/nfs/dbraw/zinc/55/06/52/409550652.db2.gz	LYYOOBIDGYYSTL-KBVBSXBZSA-N	0	0	193.265	3.282	10	0		AGAERN
C[C@@H]1[C@@H](Nc2ccccc2F)C[C@H]1C	306254737	409550749	/nfs/dbraw/zinc/55/07/49/409550749.db2.gz	LYYOOBIDGYYSTL-PTRXPTGYSA-N	0	0	193.265	3.282	10	0		AGAERN
Cc1cccc(N[C@@H]2C[C@@H](C)[C@H]2C)c1	306370823	409560122	/nfs/dbraw/zinc/56/01/22/409560122.db2.gz	LLZTXAZCEMKGNZ-NQBHXWOUSA-N	0	0	189.302	3.451	10	0		AGAERN
Cc1cc(-c2csc(C)c2)ccn1	306364883	409560283	/nfs/dbraw/zinc/56/02/83/409560283.db2.gz	FMIYDYYLZCZLRK-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
Cc1cccc(N[C@@H]2C[C@@H](C)[C@@H]2C)c1	306370825	409560684	/nfs/dbraw/zinc/56/06/84/409560684.db2.gz	LLZTXAZCEMKGNZ-NTZNESFSSA-N	0	0	189.302	3.451	10	0		AGAERN
Cc1cccc(N[C@@H]2C[C@H](C)[C@@H]2C)c1	306370822	409562147	/nfs/dbraw/zinc/56/21/47/409562147.db2.gz	LLZTXAZCEMKGNZ-GMXVVIOVSA-N	0	0	189.302	3.451	10	0		AGAERN
Cc1cccc(N[C@@H]2C[C@H](C)[C@H]2C)c1	306370820	409562383	/nfs/dbraw/zinc/56/23/83/409562383.db2.gz	LLZTXAZCEMKGNZ-DMDPSCGWSA-N	0	0	189.302	3.451	10	0		AGAERN
Cc1cccc(-c2ccco2)c1F	306511632	409574219	/nfs/dbraw/zinc/57/42/19/409574219.db2.gz	NQBLZVNYFKIARM-UHFFFAOYSA-N	0	0	176.190	3.394	10	0		AGAERN
Cc1ccsc1-c1cscn1	306576950	409576653	/nfs/dbraw/zinc/57/66/53/409576653.db2.gz	UKNAQBQNMMHMEG-UHFFFAOYSA-N	0	0	181.285	3.180	10	0		AGAERN
CC1(C)CCCC[C@@H]1Cn1ccnc1	660023859	409577175	/nfs/dbraw/zinc/57/71/75/409577175.db2.gz	WZIPNRNQVHDNMQ-LLVKDONJSA-N	0	0	192.306	3.100	10	0		AGAERN
CC1(C)CCCC[C@H]1Cn1ccnc1	660023860	409577584	/nfs/dbraw/zinc/57/75/84/409577584.db2.gz	WZIPNRNQVHDNMQ-NSHDSACASA-N	0	0	192.306	3.100	10	0		AGAERN
CCC(=O)N(C)CCCC(CC)CC	660058218	409578098	/nfs/dbraw/zinc/57/80/98/409578098.db2.gz	YDQLRCFMBTYRBG-UHFFFAOYSA-N	0	0	199.338	3.071	10	0		AGAERN
Cc1coc(S[C@@H]2CC[C@@H](C)C2)n1	306953366	409604136	/nfs/dbraw/zinc/60/41/36/409604136.db2.gz	IBBVRUJHBUJHFF-VXNVDRBHSA-N	0	0	197.303	3.264	10	0		AGAERN
Cc1coc(S[C@@H]2CC[C@H](C)C2)n1	306953365	409604511	/nfs/dbraw/zinc/60/45/11/409604511.db2.gz	IBBVRUJHBUJHFF-IONNQARKSA-N	0	0	197.303	3.264	10	0		AGAERN
Cc1coc(S[C@H]2CC[C@@H](C)C2)n1	306953362	409604852	/nfs/dbraw/zinc/60/48/52/409604852.db2.gz	IBBVRUJHBUJHFF-APPZFPTMSA-N	0	0	197.303	3.264	10	0		AGAERN
CCCNc1nc(C)c(C(C)C)s1	306948541	409604859	/nfs/dbraw/zinc/60/48/59/409604859.db2.gz	TXTAJUKUCALYCN-UHFFFAOYSA-N	0	0	198.335	3.397	10	0		AGAERN
CC(C)CNc1cccc(C2CC2)n1	307004490	409610185	/nfs/dbraw/zinc/61/01/85/409610185.db2.gz	DIBVNHQTSLAZTC-UHFFFAOYSA-N	0	0	190.290	3.027	10	0		AGAERN
C[C@@H]1CC[C@H](Sc2ccncc2)C1	307748082	409669440	/nfs/dbraw/zinc/66/94/40/409669440.db2.gz	ARPJQXWQMXDKFE-KOLCDFICSA-N	0	0	193.315	3.362	10	0		AGAERN
C[C@@H]1CC[C@@H](Sc2ccncc2)C1	307748083	409669989	/nfs/dbraw/zinc/66/99/89/409669989.db2.gz	ARPJQXWQMXDKFE-MWLCHTKSSA-N	0	0	193.315	3.362	10	0		AGAERN
C[C@H]1CC[C@H](Sc2ccncc2)C1	307748084	409670716	/nfs/dbraw/zinc/67/07/16/409670716.db2.gz	ARPJQXWQMXDKFE-ONGXEEELSA-N	0	0	193.315	3.362	10	0		AGAERN
C[C@H]1CC[C@@H](Sc2ccncc2)C1	307748081	409670703	/nfs/dbraw/zinc/67/07/03/409670703.db2.gz	ARPJQXWQMXDKFE-GXSJLCMTSA-N	0	0	193.315	3.362	10	0		AGAERN
CC(C)N(CCF)c1cccc(F)c1	662016059	409681337	/nfs/dbraw/zinc/68/13/37/409681337.db2.gz	AFQMSYHXONRTRA-UHFFFAOYSA-N	0	0	199.244	3.010	10	0		AGAERN
CCCCNc1sccc1C(C)=O	308217496	409699356	/nfs/dbraw/zinc/69/93/56/409699356.db2.gz	JYJRKFRELRVULH-UHFFFAOYSA-N	0	0	197.303	3.163	10	0		AGAERN
CCCCCSc1ccc(C)nn1	663769246	409795700	/nfs/dbraw/zinc/79/57/00/409795700.db2.gz	CLUUCJGPLJEQBX-UHFFFAOYSA-N	0	0	196.319	3.067	10	0		AGAERN
c1ccc(OC[C@H]2C[C@@H]3C[C@@H]3C2)cc1	663916564	409798077	/nfs/dbraw/zinc/79/80/77/409798077.db2.gz	XYCYBIGYUMBNPD-ZSBIGDGJSA-N	0	0	188.270	3.112	10	0		AGAERN
CC(C)=CCCOc1ccc(C)nc1	663962179	409800192	/nfs/dbraw/zinc/80/01/92/409800192.db2.gz	LRADYEFJODCGGL-UHFFFAOYSA-N	0	0	191.274	3.125	10	0		AGAERN
CCC(C)(C)CCn1cc(C)cn1	663979702	409803620	/nfs/dbraw/zinc/80/36/20/409803620.db2.gz	SARYQVVIAXDUCT-UHFFFAOYSA-N	0	0	180.295	3.018	10	0		AGAERN
CC1(C)CCCC[C@@H]1Cn1cccn1	663978770	409803767	/nfs/dbraw/zinc/80/37/67/409803767.db2.gz	KHESIEJETHTTIQ-LLVKDONJSA-N	0	0	192.306	3.100	10	0		AGAERN
CC1(C)CCCC[C@H]1Cn1cccn1	663978772	409803803	/nfs/dbraw/zinc/80/38/03/409803803.db2.gz	KHESIEJETHTTIQ-NSHDSACASA-N	0	0	192.306	3.100	10	0		AGAERN
CCC(C)(C)CCn1nc(C)cc1C	663975822	409804192	/nfs/dbraw/zinc/80/41/92/409804192.db2.gz	VBXGLYHNJZKZMV-UHFFFAOYSA-N	0	0	194.322	3.326	10	0		AGAERN
CCCCOc1cccc2cnoc12	664038356	409805617	/nfs/dbraw/zinc/80/56/17/409805617.db2.gz	GJNBZLGTENPNRC-UHFFFAOYSA-N	0	0	191.230	3.007	10	0		AGAERN
CCC(C)(C)CCOc1ccncc1	664014359	409807439	/nfs/dbraw/zinc/80/74/39/409807439.db2.gz	ANHGNSKIHSFKCQ-UHFFFAOYSA-N	0	0	193.290	3.287	10	0		AGAERN
CCC[C@@H](C)Sc1nc(C)c(C)[nH]1	378865762	409811931	/nfs/dbraw/zinc/81/19/31/409811931.db2.gz	ACNNOTIHVMGHOG-SSDOTTSWSA-N	0	0	198.335	3.307	10	0		AGAERN
CCC[C@H](C)Sc1nc(C)c(C)[nH]1	378865763	409812541	/nfs/dbraw/zinc/81/25/41/409812541.db2.gz	ACNNOTIHVMGHOG-ZETCQYMHSA-N	0	0	198.335	3.307	10	0		AGAERN
C=Cc1ccccc1OCC1CC1	664080161	409815411	/nfs/dbraw/zinc/81/54/11/409815411.db2.gz	NCOCRZTVELOVPG-UHFFFAOYSA-N	0	0	174.243	3.118	10	0		AGAERN
C=Cc1ccccc1OCCCCF	664082912	409815522	/nfs/dbraw/zinc/81/55/22/409815522.db2.gz	MLBKZUIORYZSPK-UHFFFAOYSA-N	0	0	194.249	3.458	10	0		AGAERN
CCC(CC)Cn1cc(C2CC2)cn1	664103286	409819021	/nfs/dbraw/zinc/81/90/21/409819021.db2.gz	UYXGAFLBHFJEMC-UHFFFAOYSA-N	0	0	192.306	3.197	10	0		AGAERN
CC(C)=CCCn1cc(C2CC2)cn1	664103287	409819746	/nfs/dbraw/zinc/81/97/46/409819746.db2.gz	UZNKJVIHGUTOSN-UHFFFAOYSA-N	0	0	190.290	3.117	10	0		AGAERN
CCc1cnn(CCC(C)(C)CC)c1	664105271	409820092	/nfs/dbraw/zinc/82/00/92/409820092.db2.gz	QQYVDPRCHSLHSW-UHFFFAOYSA-N	0	0	194.322	3.272	10	0		AGAERN
CCCOc1ccc(OC2CC2)cc1	664126887	409820693	/nfs/dbraw/zinc/82/06/93/409820693.db2.gz	QBIOFFHXQRTLBO-UHFFFAOYSA-N	0	0	192.258	3.017	10	0		AGAERN
Cc1cnc(NC2CC(C)(C)C2)s1	664626510	409830635	/nfs/dbraw/zinc/83/06/35/409830635.db2.gz	GOFPWULJIOSOGJ-UHFFFAOYSA-N	0	0	196.319	3.052	10	0		AGAERN
Cc1ccc(-c2c[nH]nc2C)cc1C	665185543	409846250	/nfs/dbraw/zinc/84/62/50/409846250.db2.gz	ZIHYYKWZFRPAGD-UHFFFAOYSA-N	0	0	186.258	3.002	10	0		AGAERN
Cc1coc(-c2ccc(C)c(C)c2)n1	665150844	409847337	/nfs/dbraw/zinc/84/73/37/409847337.db2.gz	YRNFHOYYEVIQGX-UHFFFAOYSA-N	0	0	187.242	3.267	10	0		AGAERN
Cc1coc(-c2cccc3c2CCC3)n1	665187803	409847451	/nfs/dbraw/zinc/84/74/51/409847451.db2.gz	GTLDUAHVQMAVGN-UHFFFAOYSA-N	0	0	199.253	3.139	10	0		AGAERN
CCc1cnc(-c2cocc2C)s1	665199338	409848983	/nfs/dbraw/zinc/84/89/83/409848983.db2.gz	DFPCIABGWFVJJP-UHFFFAOYSA-N	0	0	193.271	3.274	10	0		AGAERN
Cc1cnc(-c2cocc2C)c(C)c1	665198942	409849074	/nfs/dbraw/zinc/84/90/74/409849074.db2.gz	PTHJZUXMGAEHIX-UHFFFAOYSA-N	0	0	187.242	3.267	10	0		AGAERN
CCc1cccc(-c2cocc2C)n1	665198827	409849226	/nfs/dbraw/zinc/84/92/26/409849226.db2.gz	MJSIBDXCFYYPNZ-UHFFFAOYSA-N	0	0	187.242	3.212	10	0		AGAERN
CCCCSc1nc(C)c(C)o1	393329958	409982841	/nfs/dbraw/zinc/98/28/41/409982841.db2.gz	FHUQTTHNVSDBDT-UHFFFAOYSA-N	0	0	185.292	3.184	10	0		AGAERN
CCCCSc1ccncc1C	393927815	409993260	/nfs/dbraw/zinc/99/32/60/409993260.db2.gz	GUTFHIBKQRFRKF-UHFFFAOYSA-N	0	0	181.304	3.282	10	0		AGAERN
Cc1cnccc1SCCCCF	393903134	409993594	/nfs/dbraw/zinc/99/35/94/409993594.db2.gz	BVDRWGQWZTWFSM-UHFFFAOYSA-N	0	0	199.294	3.232	10	0		AGAERN
Cc1nccn1CCC(C)(C)C1CC1	406084970	410044914	/nfs/dbraw/zinc/04/49/14/410044914.db2.gz	ZAECTIUKKGGVKK-UHFFFAOYSA-N	0	0	192.306	3.018	10	0		AGAERN
FC(F)(F)C/C=C/c1ccccn1	584609472	410122409	/nfs/dbraw/zinc/12/24/09/410122409.db2.gz	ONGJYFSZQTXENZ-HWKANZROSA-N	0	0	187.164	3.047	10	0		AGAERN
CC[C@H](C)OCCc1ccsc1	584631333	410124329	/nfs/dbraw/zinc/12/43/29/410124329.db2.gz	QCLGVHRABZGFIU-VIFPVBQESA-N	0	0	184.304	3.106	10	0		AGAERN
CCCCC1=N[C@H]1c1ccccc1	584631148	410124317	/nfs/dbraw/zinc/12/43/17/410124317.db2.gz	BZTFQNQZDVZECB-LBPRGKRZSA-N	0	0	173.259	3.373	10	0		AGAERN
CCCCC1=N[C@@H]1c1ccccc1	584631144	410124336	/nfs/dbraw/zinc/12/43/36/410124336.db2.gz	BZTFQNQZDVZECB-GFCCVEGCSA-N	0	0	173.259	3.373	10	0		AGAERN
Clc1cccc(N[C@@H]2C=CCC2)c1	584631204	410124352	/nfs/dbraw/zinc/12/43/52/410124352.db2.gz	DFHRXOKBILYGLQ-SNVBAGLBSA-N	0	0	193.677	3.471	10	0		AGAERN
Clc1cccc(N[C@H]2C=CCC2)c1	584631203	410124360	/nfs/dbraw/zinc/12/43/60/410124360.db2.gz	DFHRXOKBILYGLQ-JTQLQIEISA-N	0	0	193.677	3.471	10	0		AGAERN
Cc1ccc([C@@H]2CCC2=O)c(Cl)c1	585144168	410125799	/nfs/dbraw/zinc/12/57/99/410125799.db2.gz	DWNNDSJRSJLQKB-VIFPVBQESA-N	0	0	194.661	3.095	10	0		AGAERN
Cc1ccc([C@H]2CCC2=O)c(Cl)c1	585144164	410125821	/nfs/dbraw/zinc/12/58/21/410125821.db2.gz	DWNNDSJRSJLQKB-SECBINFHSA-N	0	0	194.661	3.095	10	0		AGAERN
C/C=C/CNc1nccc(C)c1Cl	624656683	410145110	/nfs/dbraw/zinc/14/51/10/410145110.db2.gz	YIOJHHUIFBYJSV-ONEGZZNKSA-N	0	0	196.681	3.031	10	0		AGAERN
C/C=C\CNc1ncc(C(C)C)s1	624656045	410145311	/nfs/dbraw/zinc/14/53/11/410145311.db2.gz	DSEOTAZRZHHEPQ-PLNGDYQASA-N	0	0	196.319	3.255	10	0		AGAERN
C/C=C/CNc1ncc(C(C)C)s1	624656046	410145816	/nfs/dbraw/zinc/14/58/16/410145816.db2.gz	DSEOTAZRZHHEPQ-SNAWJCMRSA-N	0	0	196.319	3.255	10	0		AGAERN
C/C=C\CNc1nccc(C)c1Cl	624656682	410146096	/nfs/dbraw/zinc/14/60/96/410146096.db2.gz	YIOJHHUIFBYJSV-ARJAWSKDSA-N	0	0	196.681	3.031	10	0		AGAERN
Cc1cc(-c2c(C)noc2C)cs1	649431633	410198455	/nfs/dbraw/zinc/19/84/55/410198455.db2.gz	CSGZUMQBEGHWBJ-UHFFFAOYSA-N	0	0	193.271	3.328	10	0		AGAERN
Cc1coc(-c2ccc3c(c2)CCC3)n1	649425253	410198674	/nfs/dbraw/zinc/19/86/74/410198674.db2.gz	JVMOEFKBSKCBFY-UHFFFAOYSA-N	0	0	199.253	3.139	10	0		AGAERN
CCc1cccc(-c2cnoc2C)c1	649440266	410199645	/nfs/dbraw/zinc/19/96/45/410199645.db2.gz	CZBQLWBTKFLILL-UHFFFAOYSA-N	0	0	187.242	3.212	10	0		AGAERN
CCc1ccc(-c2nc(C)co2)cc1	649439328	410200371	/nfs/dbraw/zinc/20/03/71/410200371.db2.gz	SRUAXIAHYYBMLJ-UHFFFAOYSA-N	0	0	187.242	3.212	10	0		AGAERN
CCCc1ccccc1-c1cc[nH]n1	649441392	410201559	/nfs/dbraw/zinc/20/15/59/410201559.db2.gz	CYKVFBGUVKNVAP-UHFFFAOYSA-N	0	0	186.258	3.029	10	0		AGAERN
Cc1ccc(C)c(-c2c[nH]nc2C)c1	649441512	410201856	/nfs/dbraw/zinc/20/18/56/410201856.db2.gz	JQHAOZWHXMKPAT-UHFFFAOYSA-N	0	0	186.258	3.002	10	0		AGAERN
CCCOc1ccc2cnsc2c1	649445694	410203892	/nfs/dbraw/zinc/20/38/92/410203892.db2.gz	RZKVMSVAGLAZJW-UHFFFAOYSA-N	0	0	193.271	3.085	10	0		AGAERN
CC(C)C[C@H](C)Sc1cccnn1	649536601	410209610	/nfs/dbraw/zinc/20/96/10/410209610.db2.gz	FBBNJLLRANADRN-VIFPVBQESA-N	0	0	196.319	3.003	10	0		AGAERN
C1=C(CSc2ncc[nH]2)CCCC1	649495776	410210363	/nfs/dbraw/zinc/21/03/63/410210363.db2.gz	NQUTUBSORGQOOK-UHFFFAOYSA-N	0	0	194.303	3.002	10	0		AGAERN
CC(C)C[C@@H](C)Sc1cccnn1	649536600	410211350	/nfs/dbraw/zinc/21/13/50/410211350.db2.gz	FBBNJLLRANADRN-SECBINFHSA-N	0	0	196.319	3.003	10	0		AGAERN
C1=C(CSc2ncco2)CCCC1	649552887	410215624	/nfs/dbraw/zinc/21/56/24/410215624.db2.gz	ACXKKGALNJLJRW-UHFFFAOYSA-N	0	0	195.287	3.267	10	0		AGAERN
CC[C@@H](C)Sc1ncccc1F	649642409	410216954	/nfs/dbraw/zinc/21/69/54/410216954.db2.gz	HZQHGPBGEASIBT-SSDOTTSWSA-N	0	0	185.267	3.111	10	0		AGAERN
CCCCSc1ncccc1F	649644362	410217434	/nfs/dbraw/zinc/21/74/34/410217434.db2.gz	MNKWYMXWEBIRTE-UHFFFAOYSA-N	0	0	185.267	3.113	10	0		AGAERN
Fc1cccnc1SCC1CCC1	649642404	410218053	/nfs/dbraw/zinc/21/80/53/410218053.db2.gz	FJDKZQNXTACDOL-UHFFFAOYSA-N	0	0	197.278	3.113	10	0		AGAERN
CC[C@H](C)Sc1ncccc1F	649642410	410218203	/nfs/dbraw/zinc/21/82/03/410218203.db2.gz	HZQHGPBGEASIBT-ZETCQYMHSA-N	0	0	185.267	3.111	10	0		AGAERN
Fc1cccnc1SC1CCCC1	649642403	410219391	/nfs/dbraw/zinc/21/93/91/410219391.db2.gz	FBFBSBAOWBGDJV-UHFFFAOYSA-N	0	0	197.278	3.255	10	0		AGAERN
CC(C)=CCSc1ncccc1F	649640359	410219383	/nfs/dbraw/zinc/21/93/83/410219383.db2.gz	XWLJBHUDWNLKGH-UHFFFAOYSA-N	0	0	197.278	3.279	10	0		AGAERN
Fc1cccnc1SCCC1CC1	649640823	410219618	/nfs/dbraw/zinc/21/96/18/410219618.db2.gz	IPKDNZKNAAREQE-UHFFFAOYSA-N	0	0	197.278	3.113	10	0		AGAERN
CCNc1cc(C(F)F)ccc1F	650122984	410256901	/nfs/dbraw/zinc/25/69/01/410256901.db2.gz	WUUVNYQUPHBPTK-UHFFFAOYSA-N	0	0	189.180	3.195	10	0		AGAERN
CCc1ccncc1NCC(C)(C)C	650243277	410258959	/nfs/dbraw/zinc/25/89/59/410258959.db2.gz	RSLNFHBDWOHTJP-UHFFFAOYSA-N	0	0	192.306	3.102	10	0		AGAERN
CC(C)(C)CCn1cc(C2CC2)cn1	650344665	410265926	/nfs/dbraw/zinc/26/59/26/410265926.db2.gz	UPDUEPJRXINHIL-UHFFFAOYSA-N	0	0	192.306	3.197	10	0		AGAERN
CC(C)CCCn1cc(C2CC2)cn1	650344694	410267416	/nfs/dbraw/zinc/26/74/16/410267416.db2.gz	WGKNASCBRAEWBB-UHFFFAOYSA-N	0	0	192.306	3.197	10	0		AGAERN
CC/C=C/CCn1cc(C2CC2)cn1	650344288	410267671	/nfs/dbraw/zinc/26/76/71/410267671.db2.gz	FIFCCGXFKCOCPR-ONEGZZNKSA-N	0	0	190.290	3.117	10	0		AGAERN
CC/C=C\CCn1cc(C2CC2)cn1	650344287	410267678	/nfs/dbraw/zinc/26/76/78/410267678.db2.gz	FIFCCGXFKCOCPR-ARJAWSKDSA-N	0	0	190.290	3.117	10	0		AGAERN
CCCCCC(=O)N[C@H](C)C(C)(C)C	650863109	410287268	/nfs/dbraw/zinc/28/72/68/410287268.db2.gz	VQMXEIUJDFXIGX-SNVBAGLBSA-N	0	0	199.338	3.118	10	0		AGAERN
CC[C@H](C)CC[C@@H](O)CC(C)C	82080640	572016679	/nfs/dbraw/zinc/01/66/79/572016679.db2.gz	AVYRIYCVMVAMCW-WDEREUQCSA-N	0	0	172.312	3.220	10	0		AGAERN
c1cc2ccc3c(c2[nH]1)CCCC3	39213421	571909783	/nfs/dbraw/zinc/90/97/83/571909783.db2.gz	VOGFQCWPTBIAFM-UHFFFAOYSA-N	0	0	171.243	3.047	10	0		AGAERN
CC(C)C[C@@H](C)CC1=C[C@H](O)CC1	300837894	571982625	/nfs/dbraw/zinc/98/26/25/571982625.db2.gz	CVFHCLUHFJLVRS-ZYHUDNBSSA-N	0	0	182.307	3.140	10	0		AGAERN
Cc1cc(C)c(C)c([C@@H](C)CO)c1C	41206073	571982626	/nfs/dbraw/zinc/98/26/26/571982626.db2.gz	LQDFVEORIXSABS-JTQLQIEISA-N	0	0	192.302	3.016	10	0		AGAERN
O[C@@H](CCC[C@@H]1CC=CCC1)C1CC1	402114744	572012234	/nfs/dbraw/zinc/01/22/34/572012234.db2.gz	AAYFFQLZNQZTSS-YPMHNXCESA-N	0	0	194.318	3.284	10	0		AGAERN
CC[C@H](C)CC(=O)[C@@H]1CCC[C@H]1C	300231068	572012252	/nfs/dbraw/zinc/01/22/52/572012252.db2.gz	AUSNSVRHMKQIOL-HBNTYKKESA-N	0	0	182.307	3.428	10	0		AGAERN
CCC1CCC(C[C@H](C)CO)CC1	82856849	572156197	/nfs/dbraw/zinc/15/61/97/572156197.db2.gz	DNSDEYIBMMCQAQ-UNXYVOJBSA-N	0	0	184.323	3.221	10	0		AGAERN
CCC[C@@H](C)CC(=O)c1ccoc1	69946139	572164881	/nfs/dbraw/zinc/16/48/81/572164881.db2.gz	VVCSVGRWMFIUNU-SECBINFHSA-N	0	0	180.247	3.289	10	0		AGAERN
CCC[C@H](C)C[C@@H](O)c1ccoc1	69946209	572164905	/nfs/dbraw/zinc/16/49/05/572164905.db2.gz	LNQLEJAGLSOVOR-GXSJLCMTSA-N	0	0	182.263	3.139	10	0		AGAERN
O=C1CC/C=C/CC/C=C/CCC1	33846381	572039938	/nfs/dbraw/zinc/03/99/38/572039938.db2.gz	AZSAUMXEXMBZBS-WSTKVMPZSA-N	0	0	178.275	3.412	10	0		AGAERN
CCCOc1ccc(NC)c(CC)c1	71463402	572060207	/nfs/dbraw/zinc/06/02/07/572060207.db2.gz	LCHFLXWTIBPOPQ-UHFFFAOYSA-N	0	0	193.290	3.080	10	0		AGAERN
Cc1ccc2cc(C=O)sc2c1	39299325	572060219	/nfs/dbraw/zinc/06/02/19/572060219.db2.gz	HZVSTLVFWVPRHZ-UHFFFAOYSA-N	0	0	176.240	3.022	10	0		AGAERN
CC(C)C[C@@H](C)C[C@](C)(CO)C1CC1	300922879	572060227	/nfs/dbraw/zinc/06/02/27/572060227.db2.gz	NADJSVMDAWHDAW-DGCLKSJQSA-N	0	0	198.350	3.467	10	0		AGAERN
C=C(OC(C)C)c1ccccc1	34156304	572060247	/nfs/dbraw/zinc/06/02/47/572060247.db2.gz	ZNZYLDJKNNOZEN-UHFFFAOYSA-N	0	0	162.232	3.082	10	0		AGAERN
C[C@H]1CCCC[C@H]1Cn1cccc1	42866841	572071400	/nfs/dbraw/zinc/07/14/00/572071400.db2.gz	XDPKYEOFEPFRBU-RYUDHWBXSA-N	0	0	177.291	3.314	10	0		AGAERN
CCC[C@@H](C)[C@H](O)c1ccccc1C	82679902	572086662	/nfs/dbraw/zinc/08/66/62/572086662.db2.gz	AZUSXXBBWKEIAA-YPMHNXCESA-N	0	0	192.302	3.465	10	0		AGAERN
CCC[C@H](C)[C@@H](O)c1ccccc1F	82679897	572086681	/nfs/dbraw/zinc/08/66/81/572086681.db2.gz	UNSHKBYDNOFTFZ-JOYOIKCWSA-N	0	0	196.265	3.295	10	0		AGAERN
CCCCCC[C@H](NC)C(F)(F)F	82717444	572086772	/nfs/dbraw/zinc/08/67/72/572086772.db2.gz	KEFHZWPUKGUOCF-QMMMGPOBSA-N	0	0	197.244	3.107	10	0		AGAERN
CCCC(=O)CCCc1ccsc1	69765145	572143770	/nfs/dbraw/zinc/14/37/70/572143770.db2.gz	LXEPODOCKBKPHV-UHFFFAOYSA-N	0	0	196.315	3.440	10	0		AGAERN
CC(C)C(=O)CCCc1ccsc1	69765151	572143783	/nfs/dbraw/zinc/14/37/83/572143783.db2.gz	GPBQFJORYXYMTO-UHFFFAOYSA-N	0	0	196.315	3.296	10	0		AGAERN
CCC1CCC(C[C@@H](C)CO)CC1	82856848	572156145	/nfs/dbraw/zinc/15/61/45/572156145.db2.gz	DNSDEYIBMMCQAQ-VOMCLLRMSA-N	0	0	184.323	3.221	10	0		AGAERN
CC(C)C[C@H](C)[C@H](O)c1cccs1	300989522	572223924	/nfs/dbraw/zinc/22/39/24/572223924.db2.gz	VJSWXACUYYOGNI-ONGXEEELSA-N	0	0	198.331	3.464	10	0		AGAERN
Cc1cc(C)c([C@H]2CCCO2)c(C)c1	49806623	572811373	/nfs/dbraw/zinc/81/13/73/572811373.db2.gz	CPEGRLDUZQVPDQ-GFCCVEGCSA-N	0	0	190.286	3.463	10	0		AGAERN
CC(C)c1cccc2c1N[C@H](C)C2	71484216	572830454	/nfs/dbraw/zinc/83/04/54/572830454.db2.gz	FEGFUWKKBIGZBZ-SECBINFHSA-N	0	0	175.275	3.167	10	0		AGAERN
Cc1cc(C)c2c(c1)[C@@H](C(C)C)CN2	71486466	572830465	/nfs/dbraw/zinc/83/04/65/572830465.db2.gz	VDMCBCGUGFBAQF-GFCCVEGCSA-N	0	0	189.302	3.469	10	0		AGAERN
O[C@@H](C1=CCCCCC1)c1ccco1	50329509	572878984	/nfs/dbraw/zinc/87/89/84/572878984.db2.gz	XZTHBONRDNOXPZ-LBPRGKRZSA-N	0	0	192.258	3.204	10	0		AGAERN
CC(C)[C@@H](c1cccc(N)c1)C(F)F	258206945	572996390	/nfs/dbraw/zinc/99/63/90/572996390.db2.gz	XILVCVBVCIEXJA-JTQLQIEISA-N	0	0	199.244	3.274	10	0		AGAERN
c1ccc([C@H]2CCc3[nH]ccc3C2)cc1	238037270	572916018	/nfs/dbraw/zinc/91/60/18/572916018.db2.gz	SSBWSZBSQAZWBG-LBPRGKRZSA-N	0	0	197.281	3.287	10	0		AGAERN
CC(C)c1ccc2c(c1)NC[C@@H](C)O2	58235153	572946359	/nfs/dbraw/zinc/94/63/59/572946359.db2.gz	FWKWRYHIWZDGPO-SECBINFHSA-N	0	0	191.274	3.003	10	0		AGAERN
O=C1CC/C=C/CCCCCC1	222614863	572946400	/nfs/dbraw/zinc/94/64/00/572946400.db2.gz	OIMHVJRCQXQYFV-HWKANZROSA-N	0	0	166.264	3.246	10	0		AGAERN
CC(C)[C@H](c1cccc(N)c1)C(F)F	258206946	572996195	/nfs/dbraw/zinc/99/61/95/572996195.db2.gz	XILVCVBVCIEXJA-SNVBAGLBSA-N	0	0	199.244	3.274	10	0		AGAERN
CC1(C)C[C@@H]1c1cccc(Cl)c1N	238240828	572996250	/nfs/dbraw/zinc/99/62/50/572996250.db2.gz	MWMIJNKMDMPULY-MRVPVSSYSA-N	0	0	195.693	3.436	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1ccccc1C	82561496	573100737	/nfs/dbraw/zinc/10/07/37/573100737.db2.gz	SZTVDGUTIXCGIG-SKDRFNHKSA-N	0	0	178.275	3.075	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1cccc(C)c1C	82561540	573100746	/nfs/dbraw/zinc/10/07/46/573100746.db2.gz	ZYXBCAJZFHZOLD-RNCFNFMXSA-N	0	0	192.302	3.383	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1cccc(C)c1C	82561543	573100751	/nfs/dbraw/zinc/10/07/51/573100751.db2.gz	ZYXBCAJZFHZOLD-TVQRCGJNSA-N	0	0	192.302	3.383	10	0		AGAERN
CCC(C)(C)c1cccc(O)c1	114660986	573100773	/nfs/dbraw/zinc/10/07/73/573100773.db2.gz	ZVUDLZCSBFUWEO-UHFFFAOYSA-N	0	0	164.248	3.080	10	0		AGAERN
CC[C@@H](c1ccc(Cl)cc1)[C@H](C)O	85658627	573100797	/nfs/dbraw/zinc/10/07/97/573100797.db2.gz	ZCEWOMZUMOVWBI-GZMMTYOYSA-N	0	0	198.693	3.214	10	0		AGAERN
CC[C@H]1C(=O)C[C@@H]1c1cccc(C)c1	88177678	573100813	/nfs/dbraw/zinc/10/08/13/573100813.db2.gz	MCGUFFSTCIDSHP-VXGBXAGGSA-N	0	0	188.270	3.078	10	0		AGAERN
CC[C@@H](C)[C@H](O)c1cc(F)ccc1C	82561680	573100871	/nfs/dbraw/zinc/10/08/71/573100871.db2.gz	QCHWZSMHLQHORV-PELKAZGASA-N	0	0	196.265	3.214	10	0		AGAERN
CC[C@H]1C(=O)C[C@H]1c1ccc(C)s1	88177788	573100875	/nfs/dbraw/zinc/10/08/75/573100875.db2.gz	MRSXXOHHHNGGNV-RKDXNWHRSA-N	0	0	194.299	3.139	10	0		AGAERN
CC[C@@H](C)c1cc(C)cc(C=O)c1O	113542193	573011497	/nfs/dbraw/zinc/01/14/97/573011497.db2.gz	MSZOEQSRBGEZHV-SECBINFHSA-N	0	0	192.258	3.027	10	0		AGAERN
CCC(CC)C[C@@H](C(C)C)[C@@H](C)O	128303090	573011589	/nfs/dbraw/zinc/01/15/89/573011589.db2.gz	GGFBLQUKOOMYEU-PWSUYJOCSA-N	0	0	186.339	3.466	10	0		AGAERN
CC[C@H]1C(=O)C[C@H]1c1ccc(C)cc1	88177652	573100884	/nfs/dbraw/zinc/10/08/84/573100884.db2.gz	ORRSGMXUNVBZJT-NEPJUHHUSA-N	0	0	188.270	3.078	10	0		AGAERN
CCCCc1ccc2c(c1)[C@H](O)CC2	238272734	573085613	/nfs/dbraw/zinc/08/56/13/573085613.db2.gz	NITDKLIFDACZPU-CYBMUJFWSA-N	0	0	190.286	3.009	10	0		AGAERN
C[C@@H]1C(=O)C[C@@H]1c1ccc(Cl)cc1	88177237	573100585	/nfs/dbraw/zinc/10/05/85/573100585.db2.gz	ZNWONWRHCLHILY-XVKPBYJWSA-N	0	0	194.661	3.033	10	0		AGAERN
CC[C@H]1C(=O)C[C@@H]1c1ccccc1C	88177890	573100632	/nfs/dbraw/zinc/10/06/32/573100632.db2.gz	QTOUTWXOTBGZFM-PWSUYJOCSA-N	0	0	188.270	3.078	10	0		AGAERN
C[C@H](O)[C@@H]1CCCC[C@@H]1C(C)(C)C	85658181	573100650	/nfs/dbraw/zinc/10/06/50/573100650.db2.gz	DNBOXGQIEAICKU-DCAQKATOSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@@H]1C(=O)C[C@@H]1c1ccc(C)cc1	88177655	573100686	/nfs/dbraw/zinc/10/06/86/573100686.db2.gz	ORRSGMXUNVBZJT-NWDGAFQWSA-N	0	0	188.270	3.078	10	0		AGAERN
CC[C@H](C)[C@H](O)c1ccc(F)cc1C	82561717	573100731	/nfs/dbraw/zinc/10/07/31/573100731.db2.gz	AAMYFLLAABCAMA-UFBFGSQYSA-N	0	0	196.265	3.214	10	0		AGAERN
CC(=O)[C@H]1CCCCc2ccccc21	85662435	573111038	/nfs/dbraw/zinc/11/10/38/573111038.db2.gz	BDQMBKJTSZGBJO-GFCCVEGCSA-N	0	0	188.270	3.086	10	0		AGAERN
CC1=C(/C=C(\C)CO)[C@H](C(C)C)CC1	141970894	573111137	/nfs/dbraw/zinc/11/11/37/573111137.db2.gz	IHAKFDGTDFBTJV-PMDBQALLSA-N	0	0	194.318	3.308	10	0		AGAERN
CC(=O)[C@H](CC1(C)CCC1)C(C)C	308262953	573111187	/nfs/dbraw/zinc/11/11/87/573111187.db2.gz	NQSWQIXIQTZEFC-LLVKDONJSA-N	0	0	182.307	3.428	10	0		AGAERN
CC[C@H](NOCC(C)C)C1CCCC1	387521392	573111255	/nfs/dbraw/zinc/11/12/55/573111255.db2.gz	HWTXBXWVYJMMHD-LBPRGKRZSA-N	0	0	199.338	3.132	10	0		AGAERN
c1cc2c([nH]c3ccsc32)s1	114730827	573113854	/nfs/dbraw/zinc/11/38/54/573113854.db2.gz	BKYWEUVIGUEMFX-UHFFFAOYSA-N	0	0	179.269	3.444	10	0		AGAERN
CC(C)(C)C[C@@H](O)c1cccc(F)c1	82673697	573151229	/nfs/dbraw/zinc/15/12/29/573151229.db2.gz	KRSRGQCRVYUVGH-LLVKDONJSA-N	0	0	196.265	3.295	10	0		AGAERN
CCCc1cc(C)c(O)c(CC)c1	115054999	573151235	/nfs/dbraw/zinc/15/12/35/573151235.db2.gz	VEGXDBZAPWMZIN-UHFFFAOYSA-N	0	0	178.275	3.216	10	0		AGAERN
CC(=O)c1ccn(CCC(C)(C)C)c1	85832769	573166827	/nfs/dbraw/zinc/16/68/27/573166827.db2.gz	ANMIBRCPQAVSMU-UHFFFAOYSA-N	0	0	193.290	3.127	10	0		AGAERN
Nc1sc2ccccc2c1C1CC1	115228289	573166924	/nfs/dbraw/zinc/16/69/24/573166924.db2.gz	XJUNRXLIYIYHCU-UHFFFAOYSA-N	0	0	189.283	3.361	10	0		AGAERN
C=C=C(C1CCCCC1)[C@@H](O)CC	238303289	573168173	/nfs/dbraw/zinc/16/81/73/573168173.db2.gz	MYHPNIFPVMPUQF-LBPRGKRZSA-N	0	0	180.291	3.049	10	0		AGAERN
CCc1c[nH]c(-c2cc(CC)c[nH]2)c1	238303162	573168187	/nfs/dbraw/zinc/16/81/87/573168187.db2.gz	DKNGTUCPJJIXSI-UHFFFAOYSA-N	0	0	188.274	3.135	10	0		AGAERN
C/C=C\C1=CCCCC1	82208413	573168217	/nfs/dbraw/zinc/16/82/17/573168217.db2.gz	BXIHKZJXKILOSE-KXFIGUGUSA-N	0	0	122.211	3.063	10	0		AGAERN
Cc1cc2c(cc1Cl)C(=O)CCC2	104682866	573183634	/nfs/dbraw/zinc/18/36/34/573183634.db2.gz	HYPHYHOTQSFVGT-UHFFFAOYSA-N	0	0	194.661	3.167	10	0		AGAERN
Cc1cccc2c1NCC1(CC1)S2	259355888	573183728	/nfs/dbraw/zinc/18/37/28/573183728.db2.gz	UPNSTRKNGSFCML-UHFFFAOYSA-N	0	0	191.299	3.045	10	0		AGAERN
Clc1cnnc(C2CCCCC2)c1	259358749	573183785	/nfs/dbraw/zinc/18/37/85/573183785.db2.gz	GSQJYYKPAWPIJV-UHFFFAOYSA-N	0	0	196.681	3.178	10	0		AGAERN
C/C=C/c1ccccc1NCC	142140190	573183871	/nfs/dbraw/zinc/18/38/71/573183871.db2.gz	YDLNMGGDHQKNKR-XVNBXDOJSA-N	0	0	161.248	3.152	10	0		AGAERN
Cc1nc(Cl)ccc1[C@H](C)F	257960835	573184116	/nfs/dbraw/zinc/18/41/16/573184116.db2.gz	XHZKCYZMHBCZFN-YFKPBYRVSA-N	0	0	173.618	3.074	10	0		AGAERN
CC(C)[C@H]1CCCC(C)(C)C1=O	115423446	573199456	/nfs/dbraw/zinc/19/94/56/573199456.db2.gz	NALNDNQPNJORHN-SECBINFHSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCC(=O)[C@H]1C=C(C)CCC1	224850342	573199595	/nfs/dbraw/zinc/19/95/95/573199595.db2.gz	VQENJJXHQSGJKZ-SNVBAGLBSA-N	0	0	166.264	3.102	10	0		AGAERN
Cc1cccc([C@H](O)[C@H]2CC2(C)C)c1	235930487	573199656	/nfs/dbraw/zinc/19/96/56/573199656.db2.gz	CSTZUEWBUNYILK-NEPJUHHUSA-N	0	0	190.286	3.075	10	0		AGAERN
CC[C@@H]1CC(C)=C(C)C[C@@H]1[C@@H](C)O	238302433	573199740	/nfs/dbraw/zinc/19/97/40/573199740.db2.gz	PGXXGNLXCXVLCV-IJLUTSLNSA-N	0	0	182.307	3.140	10	0		AGAERN
CSC(=N)CCc1ccccc1F	258583047	573200046	/nfs/dbraw/zinc/20/00/46/573200046.db2.gz	GYVODZHNPOWJQH-UHFFFAOYSA-N	0	0	197.278	3.099	10	0		AGAERN
C1C2CC3CC1CC(C2)C3C1CC1	90751087	573200098	/nfs/dbraw/zinc/20/00/98/573200098.db2.gz	WRRMICVMSYPMJY-UHFFFAOYSA-N	0	0	176.303	3.469	10	0		AGAERN
CC(=O)C/C=C/c1cccc(Cl)c1	222885853	573200514	/nfs/dbraw/zinc/20/05/14/573200514.db2.gz	GIRFYEVXDIHOCX-GORDUTHDSA-N	0	0	194.661	3.332	10	0		AGAERN
CCSCc1nc(C)cn1C(C)C	257968093	573200662	/nfs/dbraw/zinc/20/06/62/573200662.db2.gz	ZLVDHIRAGXGBJJ-UHFFFAOYSA-N	0	0	198.335	3.026	10	0		AGAERN
Cc1cccc(OCC2CCC2)c1C	235947418	573200958	/nfs/dbraw/zinc/20/09/58/573200958.db2.gz	VZUIXRRVUZTFGE-UHFFFAOYSA-N	0	0	190.286	3.482	10	0		AGAERN
CC(=O)C[C@H](C)c1c(F)cccc1F	82807298	573202846	/nfs/dbraw/zinc/20/28/46/573202846.db2.gz	DZPJVOIRCFTPMV-ZETCQYMHSA-N	0	0	198.212	3.047	10	0		AGAERN
CCc1nc2ccc(F)c(F)c2s1	238311840	573202883	/nfs/dbraw/zinc/20/28/83/573202883.db2.gz	LQQWRYYEHYYYCM-UHFFFAOYSA-N	0	0	199.225	3.137	10	0		AGAERN
C[C@@H](CO)c1cccc(C2CCC2)c1	257968855	573202909	/nfs/dbraw/zinc/20/29/09/573202909.db2.gz	CNEXAKCEIJBNNS-JTQLQIEISA-N	0	0	190.286	3.050	10	0		AGAERN
Cc1cccc2c1[C@H](C)C[C@@H](C)N2	257968280	573203028	/nfs/dbraw/zinc/20/30/28/573203028.db2.gz	HYMHCNXPHYEMDJ-NXEZZACHSA-N	0	0	175.275	3.303	10	0		AGAERN
Cc1cccc2c1[C@@H](C)C[C@@H](C)N2	257968284	573203194	/nfs/dbraw/zinc/20/31/94/573203194.db2.gz	HYMHCNXPHYEMDJ-VHSXEESVSA-N	0	0	175.275	3.303	10	0		AGAERN
CC/C(=C/c1ccc(CC)s1)CO	211909140	573203197	/nfs/dbraw/zinc/20/31/97/573203197.db2.gz	SWETXHOJSPJAKW-CLFYSBASSA-N	0	0	196.315	3.096	10	0		AGAERN
CCOCc1cc2cccc(C)c2o1	257969785	573203274	/nfs/dbraw/zinc/20/32/74/573203274.db2.gz	ZRXTXTOMDBJHJC-UHFFFAOYSA-N	0	0	190.242	3.278	10	0		AGAERN
CCc1nc2cc(F)c(C)cc2s1	238310753	573203294	/nfs/dbraw/zinc/20/32/94/573203294.db2.gz	MREXBCNOTMVXMN-UHFFFAOYSA-N	0	0	195.262	3.306	10	0		AGAERN
CCc1nc2ccc(F)c(C)c2s1	238311813	573203316	/nfs/dbraw/zinc/20/33/16/573203316.db2.gz	KGQNDZWUYQCXCH-UHFFFAOYSA-N	0	0	195.262	3.306	10	0		AGAERN
CCc1ccccc1NC(C)=S	238311685	573203374	/nfs/dbraw/zinc/20/33/74/573203374.db2.gz	OHQNGFVLCZLYHA-UHFFFAOYSA-N	0	0	179.288	3.008	10	0		AGAERN
CC(=O)C[C@@H](C)c1ccc(F)cc1F	82807247	573203423	/nfs/dbraw/zinc/20/34/23/573203423.db2.gz	MEEHRFTUMBXJKU-SSDOTTSWSA-N	0	0	198.212	3.047	10	0		AGAERN
CC(=O)C[C@H](C)Cc1ccccc1C	82807276	573203537	/nfs/dbraw/zinc/20/35/37/573203537.db2.gz	NOQADDIHADUUKR-JTQLQIEISA-N	0	0	190.286	3.153	10	0		AGAERN
Cc1cc2ccc([C@H](C)O)cc2s1	257964422	573205432	/nfs/dbraw/zinc/20/54/32/573205432.db2.gz	GALDDPMPEHXATR-QMMMGPOBSA-N	0	0	192.283	3.263	10	0		AGAERN
CC(C)[C@@H]1CC[C@@](C)(CCCO)C1	225870110	573205453	/nfs/dbraw/zinc/20/54/53/573205453.db2.gz	FPHGNNSDLBVSOP-VXGBXAGGSA-N	0	0	184.323	3.221	10	0		AGAERN
CC(=O)C[C@H](C)c1ccc(F)c(F)c1	82806920	573205518	/nfs/dbraw/zinc/20/55/18/573205518.db2.gz	AREUWEOAFAGIQF-ZETCQYMHSA-N	0	0	198.212	3.047	10	0		AGAERN
CC(=O)C[C@@H](C)c1cc(F)ccc1C	82807064	573206032	/nfs/dbraw/zinc/20/60/32/573206032.db2.gz	ZFVWNPJJFRXJSF-SECBINFHSA-N	0	0	194.249	3.217	10	0		AGAERN
CC(=O)C[C@@H](C)c1cccc(C)c1C	82807199	573206036	/nfs/dbraw/zinc/20/60/36/573206036.db2.gz	ICLZGDVAKBCURI-SNVBAGLBSA-N	0	0	190.286	3.386	10	0		AGAERN
CC[C@]12CC(=O)CC[C@@H]1CC=C2C	238313234	573205678	/nfs/dbraw/zinc/20/56/78/573205678.db2.gz	NFLRAJOSWLPLLE-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
CCNc1c(C)cc(C)c(C)c1OC	259036369	573205777	/nfs/dbraw/zinc/20/57/77/573205777.db2.gz	INQXEGPARGFHTJ-UHFFFAOYSA-N	0	0	193.290	3.052	10	0		AGAERN
CC(=O)C[C@H](C)C1CCCCC1	82807141	573205796	/nfs/dbraw/zinc/20/57/96/573205796.db2.gz	DVMBHJQPRSUZSU-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
CC(=O)C[C@H](C)c1cc(C)ccc1F	82807019	573205802	/nfs/dbraw/zinc/20/58/02/573205802.db2.gz	FXMVSVJAKJNKTF-VIFPVBQESA-N	0	0	194.249	3.217	10	0		AGAERN
CC(=O)C[C@H](C)c1cccc(F)c1F	82807301	573205957	/nfs/dbraw/zinc/20/59/57/573205957.db2.gz	AAFAQPIJFVWZQH-ZETCQYMHSA-N	0	0	198.212	3.047	10	0		AGAERN
Cc1cc(C)cc([C@H](C)C[C@H](C)O)c1	82812080	573209354	/nfs/dbraw/zinc/20/93/54/573209354.db2.gz	LQUPTXDICVMKEP-NEPJUHHUSA-N	0	0	192.302	3.178	10	0		AGAERN
C/C=C/[C@@]1(CC)CCCC(=O)C1	238313184	573208626	/nfs/dbraw/zinc/20/86/26/573208626.db2.gz	ZRYJHYJUTLZYFH-KTROKBFUSA-N	0	0	166.264	3.102	10	0		AGAERN
CC[C@H](C)Sc1cccc(C)c1N	85937029	573208656	/nfs/dbraw/zinc/20/86/56/573208656.db2.gz	IYARDZKTCLAXFC-VIFPVBQESA-N	0	0	195.331	3.468	10	0		AGAERN
Cc1ccc([C@@H](C)C[C@H](C)O)c(C)c1	82812300	573208803	/nfs/dbraw/zinc/20/88/03/573208803.db2.gz	UOLAVBLEYHFNMA-RYUDHWBXSA-N	0	0	192.302	3.178	10	0		AGAERN
C/C=C/CSc1cccc(N)c1C	85933975	573208849	/nfs/dbraw/zinc/20/88/49/573208849.db2.gz	ZCJNEIYEYBADHM-ONEGZZNKSA-N	0	0	193.315	3.245	10	0		AGAERN
CC(=O)CC(C)(C)c1cccc(F)c1	82816153	573208865	/nfs/dbraw/zinc/20/88/65/573208865.db2.gz	UYEZHFOFQAQDGG-UHFFFAOYSA-N	0	0	194.249	3.082	10	0		AGAERN
Cc1cc(C)cc([C@@H](C)C[C@@H](C)O)c1	82812073	573208891	/nfs/dbraw/zinc/20/88/91/573208891.db2.gz	LQUPTXDICVMKEP-NWDGAFQWSA-N	0	0	192.302	3.178	10	0		AGAERN
Cc1cc([C@@H](C)C[C@H](C)O)ccc1F	82811399	573209024	/nfs/dbraw/zinc/20/90/24/573209024.db2.gz	COLLHKIOWFDJGG-WPRPVWTQSA-N	0	0	196.265	3.009	10	0		AGAERN
CC(=O)CC(C)(C)c1ccccc1F	82816216	573209167	/nfs/dbraw/zinc/20/91/67/573209167.db2.gz	GGQFCNJUNULKIZ-UHFFFAOYSA-N	0	0	194.249	3.082	10	0		AGAERN
Cc1cccc(SCC2CC2)c1N	85936867	573209226	/nfs/dbraw/zinc/20/92/26/573209226.db2.gz	MCAOOYTYTZVXFY-UHFFFAOYSA-N	0	0	193.315	3.079	10	0		AGAERN
Cc1ccc(C)c([C@H](C)C[C@H](C)O)c1	82811345	573209234	/nfs/dbraw/zinc/20/92/34/573209234.db2.gz	ZSSYPUUGZWFGEF-NEPJUHHUSA-N	0	0	192.302	3.178	10	0		AGAERN
Cc1ccc(F)c([C@H](C)C[C@H](C)O)c1	82812000	573209293	/nfs/dbraw/zinc/20/92/93/573209293.db2.gz	ODCRGUDJTXBDAC-ZJUUUORDSA-N	0	0	196.265	3.009	10	0		AGAERN
CC[C@@H](C)S[C@H]1CCCC(=O)C1	82818381	573213249	/nfs/dbraw/zinc/21/32/49/573213249.db2.gz	ZQVGMUZEXFHFAU-SCZZXKLOSA-N	0	0	186.320	3.030	10	0		AGAERN
O=C1CCC[C@@H](SC2CCCC2)C1	82818472	573213284	/nfs/dbraw/zinc/21/32/84/573213284.db2.gz	KHULZAODHWWUIH-LLVKDONJSA-N	0	0	198.331	3.174	10	0		AGAERN
C/C=C/COc1ccc(SC)cc1	308308684	573212610	/nfs/dbraw/zinc/21/26/10/573212610.db2.gz	PQBQOLWPEKWTJS-ONEGZZNKSA-N	0	0	194.299	3.363	10	0		AGAERN
Cc1ccc(C(C)C)cc1C[C@@H](C)O	257971017	573212612	/nfs/dbraw/zinc/21/26/12/573212612.db2.gz	CUXPCDLINZLFAY-LLVKDONJSA-N	0	0	192.302	3.042	10	0		AGAERN
O=C1CC[C@H](SC2CCCCC2)C1	82819854	573212791	/nfs/dbraw/zinc/21/27/91/573212791.db2.gz	CJKNMUYBZQGIAB-NSHDSACASA-N	0	0	198.331	3.174	10	0		AGAERN
CC(C)Oc1cc(N)ccc1C(C)C	226025742	573213037	/nfs/dbraw/zinc/21/30/37/573213037.db2.gz	DDABTNSETWKMRZ-UHFFFAOYSA-N	0	0	193.290	3.179	10	0		AGAERN
CCc1cc(C)ccc1CF	238320762	573224764	/nfs/dbraw/zinc/22/47/64/573224764.db2.gz	BOTGGHLIVUKIPP-UHFFFAOYSA-N	0	0	152.212	3.027	10	0		AGAERN
C[C@H](c1ccccc1C=O)C1CC1	259038086	573225165	/nfs/dbraw/zinc/22/51/65/573225165.db2.gz	AANNOUVRRCZPKY-VIFPVBQESA-N	0	0	174.243	3.013	10	0		AGAERN
CC(C)C[C@]1(O)CC[C@H](C)[C@@H](C)C1	82838661	573225279	/nfs/dbraw/zinc/22/52/79/573225279.db2.gz	BFKOHZPZGZNSFC-SDDRHHMPSA-N	0	0	184.323	3.220	10	0		AGAERN
CSC(=N)c1coc2ccccc12	259381381	573225351	/nfs/dbraw/zinc/22/53/51/573225351.db2.gz	XOCIXLGDEPDLBQ-UHFFFAOYSA-N	0	0	191.255	3.121	10	0		AGAERN
CCC1CCC([C@](C)(O)CC)CC1	82848806	573229964	/nfs/dbraw/zinc/22/99/64/573229964.db2.gz	JWQOYGGVMUBSOT-HTAVTVPLSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1	82843163	573230028	/nfs/dbraw/zinc/23/00/28/573230028.db2.gz	HEUNEZRCTUKWSB-OPRDCNLKSA-N	0	0	168.280	3.038	10	0		AGAERN
CC1CCC(C2(O)CCCC2)CC1	82848800	573230042	/nfs/dbraw/zinc/23/00/42/573230042.db2.gz	YDHJUSDFBTZFNU-UHFFFAOYSA-N	0	0	182.307	3.118	10	0		AGAERN
CSCc1cccc2cc[nH]c12	115932377	573230104	/nfs/dbraw/zinc/23/01/04/573230104.db2.gz	MWICXUYIQYTEBI-UHFFFAOYSA-N	0	0	177.272	3.031	10	0		AGAERN
CCC1CCC([C@@](C)(O)C2CC2)CC1	82848819	573230186	/nfs/dbraw/zinc/23/01/86/573230186.db2.gz	JFSADCFDIVWWFH-GCZXYKMCSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1ccsc1CC(F)(F)F	259386617	573230192	/nfs/dbraw/zinc/23/01/92/573230192.db2.gz	NKJLPPZJBHBYGO-UHFFFAOYSA-N	0	0	180.194	3.161	10	0		AGAERN
CC1=C(C)C[C@@H](Cc2c[nH]cn2)CC1	115897716	573230278	/nfs/dbraw/zinc/23/02/78/573230278.db2.gz	NATSBCKHSSGXLA-NSHDSACASA-N	0	0	190.290	3.089	10	0		AGAERN
CC(C)c1nc(Cl)c2ccccn12	258240501	573230330	/nfs/dbraw/zinc/23/03/30/573230330.db2.gz	LJQMFISVFXIKRJ-UHFFFAOYSA-N	0	0	194.665	3.111	10	0		AGAERN
CC(=O)CC[C@@H]1CC[C@H](C)[C@@H](C)C1	82845036	573230407	/nfs/dbraw/zinc/23/04/07/573230407.db2.gz	WBIMRNSLQYKFJM-NHCYSSNCSA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@H]1C[C@@H]([C@@H]2CCCC2=O)CC[C@H]1C	82844498	573230467	/nfs/dbraw/zinc/23/04/67/573230467.db2.gz	DAPQUWFCCRECLZ-RHYQMDGZSA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)=C[C@]1(O)CC[C@@H](C)[C@@H](C)C1	86020942	573230480	/nfs/dbraw/zinc/23/04/80/573230480.db2.gz	NHSCYDPUAXUHNC-GRYCIOLGSA-N	0	0	182.307	3.140	10	0		AGAERN
CC1CCC([C@]2(O)CC[C@H](C)C2)CC1	82849063	573237116	/nfs/dbraw/zinc/23/71/16/573237116.db2.gz	VFMKOTXFUQSHPH-MVKMKZAISA-N	0	0	196.334	3.364	10	0		AGAERN
CCC1(C[C@H](O)CC(C)C)CCC1	308323508	573237216	/nfs/dbraw/zinc/23/72/16/573237216.db2.gz	DBFDZGPSTKGFRK-LLVKDONJSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](O)[C@H]1CC(C)=C(C)C[C@@H]1C	238314775	573237262	/nfs/dbraw/zinc/23/72/62/573237262.db2.gz	JHYHYZKAOKAPQP-SRVKXCTJSA-N	0	0	182.307	3.140	10	0		AGAERN
CC[C@H](C)C(=O)C1CCC(C)CC1	82849250	573237606	/nfs/dbraw/zinc/23/76/06/573237606.db2.gz	JRMALCOZOZIWLB-YVNMAJEFSA-N	0	0	182.307	3.428	10	0		AGAERN
CC1(CC(=O)CC2CCC2)CCC1	308323503	573239290	/nfs/dbraw/zinc/23/92/90/573239290.db2.gz	DBBZKABFNRQMKP-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
CC1CCC([C@H]2CCC[C@H](O)C2)CC1	82856812	573239302	/nfs/dbraw/zinc/23/93/02/573239302.db2.gz	OBLVTBVADCEKDF-TYUFSLCMSA-N	0	0	196.334	3.364	10	0		AGAERN
CC1CCC([C@@H]2CCC(=O)C2)CC1	82856557	573239600	/nfs/dbraw/zinc/23/96/00/573239600.db2.gz	YSJBSPUKDGRXPQ-VQXHTEKXSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@H]1CC[C@@H](C)C2=NC(=S)SC21	82859964	573239720	/nfs/dbraw/zinc/23/97/20/573239720.db2.gz	SMCATANNVMAXAW-RITPCOANSA-N	0	0	199.344	3.433	10	0		AGAERN
C[C@H]1Cc2sc(=S)[nH]c2[C@H](C)C1	82859973	573239733	/nfs/dbraw/zinc/23/97/33/573239733.db2.gz	LLKGPLUPTCGZPD-PHDIDXHHSA-N	0	0	199.344	3.118	10	0		AGAERN
CNc1nc2c(s1)[C@@H](C)CC[C@@H]2C	82857141	573239799	/nfs/dbraw/zinc/23/97/99/573239799.db2.gz	NASKQFWQSGKQPA-BQBZGAKWSA-N	0	0	196.319	3.186	10	0		AGAERN
C[C@@H]1Cc2sc(=S)[nH]c2[C@@H](C)C1	82859974	573239868	/nfs/dbraw/zinc/23/98/68/573239868.db2.gz	LLKGPLUPTCGZPD-WDSKDSINSA-N	0	0	199.344	3.118	10	0		AGAERN
C/C=C(/CC)C[C@H]1CCCC1=O	205559697	573239903	/nfs/dbraw/zinc/23/99/03/573239903.db2.gz	TYTNULVUJOGQMY-KSXVILFYSA-N	0	0	166.264	3.102	10	0		AGAERN
O=C1CCc2c1sc1ccccc21	116055624	573247193	/nfs/dbraw/zinc/24/71/93/573247193.db2.gz	JVCDJDYBTQSTNM-UHFFFAOYSA-N	0	0	188.251	3.030	10	0		AGAERN
C[C@@H]1CC[C@@H](C(C)(C)C2CC2)[C@H](O)C1	82865654	573247825	/nfs/dbraw/zinc/24/78/25/573247825.db2.gz	OYDINDLIBGEICX-YUSALJHKSA-N	0	0	196.334	3.220	10	0		AGAERN
CCc1cc2cc(C)cc(F)c2[nH]1	238316861	573247317	/nfs/dbraw/zinc/24/73/17/573247317.db2.gz	QLVLNBADGSEOCW-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
CCc1cc2cc(C)c(OC)cc2[nH]1	238316783	573247401	/nfs/dbraw/zinc/24/74/01/573247401.db2.gz	AOFRVSDRUYYJLC-UHFFFAOYSA-N	0	0	189.258	3.047	10	0		AGAERN
Cc1ccc(NC[C@]2(C)C[C@H]2C)cc1	714661805	573247577	/nfs/dbraw/zinc/24/75/77/573247577.db2.gz	XCCNPEUCEWVKMY-YPMHNXCESA-N	0	0	189.302	3.453	10	0		AGAERN
Cc1ccc(NC[C@@]2(C)C[C@H]2C)cc1	714661801	573247729	/nfs/dbraw/zinc/24/77/29/573247729.db2.gz	XCCNPEUCEWVKMY-DGCLKSJQSA-N	0	0	189.302	3.453	10	0		AGAERN
CC(C)Oc1cccc2cnccc12	197254967	573247781	/nfs/dbraw/zinc/24/77/81/573247781.db2.gz	HERRRLAKQWBJIM-UHFFFAOYSA-N	0	0	187.242	3.022	10	0		AGAERN
CCCC(=O)[C@@H](C)[C@@H](C)CC	211921664	573251727	/nfs/dbraw/zinc/25/17/27/573251727.db2.gz	JUBKFUIMUYGQER-IUCAKERBSA-N	0	0	156.269	3.038	10	0		AGAERN
CCCC(=O)[C@H](C)[C@H](C)CC	211921915	573251764	/nfs/dbraw/zinc/25/17/64/573251764.db2.gz	JUBKFUIMUYGQER-RKDXNWHRSA-N	0	0	156.269	3.038	10	0		AGAERN
CC[C@H]1Nc2ccccc2C=C1C	238318719	573251814	/nfs/dbraw/zinc/25/18/14/573251814.db2.gz	ZKCYYOIGIIKQMM-LLVKDONJSA-N	0	0	173.259	3.294	10	0		AGAERN
CC[C@]1(C)CNc2c1ccc(F)c2C	238318021	573251888	/nfs/dbraw/zinc/25/18/88/573251888.db2.gz	JGWCJHQWPZKLMK-GFCCVEGCSA-N	0	0	193.265	3.227	10	0		AGAERN
CCc1cc2cnsc2cc1C	238318807	573252009	/nfs/dbraw/zinc/25/20/09/573252009.db2.gz	GFPPOXCBJHZEDG-UHFFFAOYSA-N	0	0	177.272	3.167	10	0		AGAERN
CC[C@]1(C)CNc2c(F)cc(C)cc21	238318153	573252046	/nfs/dbraw/zinc/25/20/46/573252046.db2.gz	OOQGTKBVVLRXMR-GFCCVEGCSA-N	0	0	193.265	3.227	10	0		AGAERN
Fc1cccc(-c2ncc(Cl)o2)c1	258612794	573252105	/nfs/dbraw/zinc/25/21/05/573252105.db2.gz	UESGMQHPHOISKH-UHFFFAOYSA-N	0	0	197.596	3.134	10	0		AGAERN
O[C@@]1(CC2CC2)CCC[C@@H](C2CC2)C1	123945328	573271167	/nfs/dbraw/zinc/27/11/67/573271167.db2.gz	MAESJIXPMXHFJY-CHWSQXEVSA-N	0	0	194.318	3.118	10	0		AGAERN
CC(C)CC[C@H](O)CC1(C)CCC1	308338925	573271362	/nfs/dbraw/zinc/27/13/62/573271362.db2.gz	PUGNQHVJNACHRR-NSHDSACASA-N	0	0	184.323	3.364	10	0		AGAERN
CC(=O)c1ccc2c(c1)[C@H](C)CS2	257988446	573271363	/nfs/dbraw/zinc/27/13/63/573271363.db2.gz	HQZGHVZEHWQKJM-SSDOTTSWSA-N	0	0	192.283	3.098	10	0		AGAERN
CC(=O)c1ccc2c(c1)[C@@H](C)CS2	257988450	573271451	/nfs/dbraw/zinc/27/14/51/573271451.db2.gz	HQZGHVZEHWQKJM-ZETCQYMHSA-N	0	0	192.283	3.098	10	0		AGAERN
CCC[C@H]1CCC[C@@H](C(=O)OCC)C1	259605541	573271513	/nfs/dbraw/zinc/27/15/13/573271513.db2.gz	MKFOKHZBAMXFRI-WDEREUQCSA-N	0	0	198.306	3.156	10	0		AGAERN
Cc1ccc([C@@H](C)F)cc1C1(O)CC1	257986984	573271645	/nfs/dbraw/zinc/27/16/45/573271645.db2.gz	FERAGEHHPXTTRR-SECBINFHSA-N	0	0	194.249	3.007	10	0		AGAERN
CCc1cc(F)cc(SC)c1	238330151	573271655	/nfs/dbraw/zinc/27/16/55/573271655.db2.gz	VZAYQNKZNNPHFM-UHFFFAOYSA-N	0	0	170.252	3.110	10	0		AGAERN
C[C@@H]1CC(C)(C)c2ccc(O)cc21	142486692	573271715	/nfs/dbraw/zinc/27/17/15/573271715.db2.gz	NNNVVSFQEPTNSP-MRVPVSSYSA-N	0	0	176.259	3.177	10	0		AGAERN
C[C@H](O)c1coc2cccc(Cl)c12	257989372	573273500	/nfs/dbraw/zinc/27/35/00/573273500.db2.gz	VYAYNGJOAQJGGY-LURJTMIESA-N	0	0	196.633	3.140	10	0		AGAERN
Cc1ccc([C@H](C)F)cc1C1(O)CC1	257986986	573273609	/nfs/dbraw/zinc/27/36/09/573273609.db2.gz	FERAGEHHPXTTRR-VIFPVBQESA-N	0	0	194.249	3.007	10	0		AGAERN
CC[C@H]1CCC[C@@](O)(CC2CC2)C1	123944401	573273898	/nfs/dbraw/zinc/27/38/98/573273898.db2.gz	QYQXGKKCQIBKDM-JQWIXIFHSA-N	0	0	182.307	3.118	10	0		AGAERN
CCC(=O)[C@H](C)CC(CC)CC	129236436	573274033	/nfs/dbraw/zinc/27/40/33/573274033.db2.gz	VBJUFDVJEWNPSP-SECBINFHSA-N	0	0	170.296	3.428	10	0		AGAERN
CC[C@H](NC(C)=S)c1ccccc1	142420481	573274184	/nfs/dbraw/zinc/27/41/84/573274184.db2.gz	OKEQIISMJNXAST-NSHDSACASA-N	0	0	193.315	3.075	10	0		AGAERN
Cc1ccc2c(C=O)cn(C3CC3)c2c1	257988284	573274249	/nfs/dbraw/zinc/27/42/49/573274249.db2.gz	FBURYYVFNHSITH-UHFFFAOYSA-N	0	0	199.253	3.097	10	0		AGAERN
CCCC[C@@H](C)Nc1nc(C)cs1	50889537	573274254	/nfs/dbraw/zinc/27/42/54/573274254.db2.gz	KDQDJCKMZQWVBG-MRVPVSSYSA-N	0	0	198.335	3.442	10	0		AGAERN
CCCC[C@H](C)Nc1nccs1	50889536	573274260	/nfs/dbraw/zinc/27/42/60/573274260.db2.gz	KPWJPQHZKQKOKI-QMMMGPOBSA-N	0	0	184.308	3.134	10	0		AGAERN
C[C@@H](O)c1coc2cccc(Cl)c12	257989373	573274268	/nfs/dbraw/zinc/27/42/68/573274268.db2.gz	VYAYNGJOAQJGGY-ZCFIWIBFSA-N	0	0	196.633	3.140	10	0		AGAERN
CCC(=O)[C@@H](C)c1ccc(F)cc1F	86161659	573276774	/nfs/dbraw/zinc/27/67/74/573276774.db2.gz	JVMQIZYQJULREG-ZETCQYMHSA-N	0	0	198.212	3.047	10	0		AGAERN
CCC(=O)[C@@H]1CC[C@@H](C)C[C@@H]1C	86161634	573276825	/nfs/dbraw/zinc/27/68/25/573276825.db2.gz	VXHFQZUJCDQABC-KXUCPTDWSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(=O)[C@@H](C)c1cccc(Cl)c1	86161712	573276966	/nfs/dbraw/zinc/27/69/66/573276966.db2.gz	VQMRHHWHGUXVJO-QMMMGPOBSA-N	0	0	196.677	3.423	10	0		AGAERN
C[C@@H](C(=O)CC1(C)CCC1)C1CC1	308344354	573291457	/nfs/dbraw/zinc/29/14/57/573291457.db2.gz	UDIYQBDBZGZWDN-SECBINFHSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@H](C(=O)CC1(C)CCC1)C1CC1	308344355	573291533	/nfs/dbraw/zinc/29/15/33/573291533.db2.gz	UDIYQBDBZGZWDN-VIFPVBQESA-N	0	0	180.291	3.182	10	0		AGAERN
CCC/C(=C\[C@H](C)O)c1ccccc1	308344384	573291621	/nfs/dbraw/zinc/29/16/21/573291621.db2.gz	OERQNINRBDENME-CDDSVFCYSA-N	0	0	190.286	3.251	10	0		AGAERN
CCC/C(=C\[C@@H](C)O)c1ccccc1	308344383	573291624	/nfs/dbraw/zinc/29/16/24/573291624.db2.gz	OERQNINRBDENME-BVRAVYJCSA-N	0	0	190.286	3.251	10	0		AGAERN
CC(C)[C@@H](C)c1ccccc1N	116505680	573292019	/nfs/dbraw/zinc/29/20/19/573292019.db2.gz	DBMRKUCYKBVQKO-SECBINFHSA-N	0	0	163.264	3.028	10	0		AGAERN
CSC[C@@H]1Cc2ccccc2S1	86195598	573294959	/nfs/dbraw/zinc/29/49/59/573294959.db2.gz	BUJQEMNFSBQPLR-VIFPVBQESA-N	0	0	196.340	3.066	10	0		AGAERN
Cc1cn(CCCC(F)F)cc1C	688738098	573294372	/nfs/dbraw/zinc/29/43/72/573294372.db2.gz	JDPHMTZLQCTYDD-UHFFFAOYSA-N	0	0	187.233	3.150	10	0		AGAERN
Cc1ccc(Cl)c(C)c1[C@@H](C)CO	257995053	573294409	/nfs/dbraw/zinc/29/44/09/573294409.db2.gz	BPQSUXOQEFQUFT-QMMMGPOBSA-N	0	0	198.693	3.053	10	0		AGAERN
CC(=O)c1ccc([C@H]2CC2(F)F)cc1	257995566	573294439	/nfs/dbraw/zinc/29/44/39/573294439.db2.gz	FUFCEQKOISUEFM-SNVBAGLBSA-N	0	0	196.196	3.012	10	0		AGAERN
COc1cc(Cl)cc2occc12	238335288	573294595	/nfs/dbraw/zinc/29/45/95/573294595.db2.gz	MTTMJTGBDKHAQT-UHFFFAOYSA-N	0	0	182.606	3.095	10	0		AGAERN
CCCC[C@H](C)OC(=O)[C@@H](C)CC	230829786	573295625	/nfs/dbraw/zinc/29/56/25/573295625.db2.gz	AVRFJOPVIZNPIX-UWVGGRQHSA-N	0	0	186.295	3.154	10	0		AGAERN
Cc1ccc(Cl)c(C)c1[C@H](C)CO	257995050	573295959	/nfs/dbraw/zinc/29/59/59/573295959.db2.gz	BPQSUXOQEFQUFT-MRVPVSSYSA-N	0	0	198.693	3.053	10	0		AGAERN
CC(C)=CC[C@H]1CCCCNC1=S	197296798	573298851	/nfs/dbraw/zinc/29/88/51/573298851.db2.gz	CIHKXBHHPATQON-SNVBAGLBSA-N	0	0	197.347	3.060	10	0		AGAERN
CC(C)c1ccc([C@]2(O)C[C@H]2C)cc1	86197744	573298910	/nfs/dbraw/zinc/29/89/10/573298910.db2.gz	AEWZQYJMZDJSIQ-MFKMUULPSA-N	0	0	190.286	3.037	10	0		AGAERN
CC(C)=CC[C@@H]1CCCCNC1=S	197296784	573299342	/nfs/dbraw/zinc/29/93/42/573299342.db2.gz	CIHKXBHHPATQON-JTQLQIEISA-N	0	0	197.347	3.060	10	0		AGAERN
CCCc1ccc(CCC)c(N)c1	78373557	573302227	/nfs/dbraw/zinc/30/22/27/573302227.db2.gz	JCVYTMLJWVHPQD-UHFFFAOYSA-N	0	0	177.291	3.174	10	0		AGAERN
COc1ccc(Cl)c2occc12	238339036	573302432	/nfs/dbraw/zinc/30/24/32/573302432.db2.gz	AKIYIRSEFVCZEC-UHFFFAOYSA-N	0	0	182.606	3.095	10	0		AGAERN
COc1ccc(Cl)c2ccoc12	238338571	573302849	/nfs/dbraw/zinc/30/28/49/573302849.db2.gz	USBROGNFMQQFRV-UHFFFAOYSA-N	0	0	182.606	3.095	10	0		AGAERN
C[C@@H]1C[C@@]1(O)C1CCCCCCC1	86198612	573303065	/nfs/dbraw/zinc/30/30/65/573303065.db2.gz	VPYJRIJRQSHION-PWSUYJOCSA-N	0	0	182.307	3.118	10	0		AGAERN
CSc1cc(C)c(C)cc1C(C)=O	258001421	573303140	/nfs/dbraw/zinc/30/31/40/573303140.db2.gz	GOJMNJOFIKLHCB-UHFFFAOYSA-N	0	0	194.299	3.228	10	0		AGAERN
CCC[C@H]1C[C@@]1(O)c1sccc1C	86203928	573313921	/nfs/dbraw/zinc/31/39/21/573313921.db2.gz	MVYPWXHVXZYRAY-ONGXEEELSA-N	0	0	196.315	3.064	10	0		AGAERN
CCC[C@@H]1C[C@@]1(O)c1sccc1C	86203926	573313219	/nfs/dbraw/zinc/31/32/19/573313219.db2.gz	MVYPWXHVXZYRAY-KOLCDFICSA-N	0	0	196.315	3.064	10	0		AGAERN
CC(C)c1c[nH]c(=S)n1C1CCC1	82944924	573313249	/nfs/dbraw/zinc/31/32/49/573313249.db2.gz	FXTBBGDWAUIAMX-UHFFFAOYSA-N	0	0	196.319	3.394	10	0		AGAERN
CCC[C@@H]1C[C@]1(O)c1ccc(C)s1	86203473	573313263	/nfs/dbraw/zinc/31/32/63/573313263.db2.gz	AWRIBIRCOURNPJ-MWLCHTKSSA-N	0	0	196.315	3.064	10	0		AGAERN
CCC[C@@H]1C[C@]1(O)c1ccccc1C	86202837	573313284	/nfs/dbraw/zinc/31/32/84/573313284.db2.gz	JJHPBIIBZDIZRB-DGCLKSJQSA-N	0	0	190.286	3.003	10	0		AGAERN
CNc1cccc(-c2ccc(C)o2)c1	259412941	573313325	/nfs/dbraw/zinc/31/33/25/573313325.db2.gz	XRKPEPIYEHPAQN-UHFFFAOYSA-N	0	0	187.242	3.297	10	0		AGAERN
CCC[C@H]1C[C@@]1(O)C1CCCCC1	86203961	573313421	/nfs/dbraw/zinc/31/34/21/573313421.db2.gz	ITUYNXKPXOQHEL-NWDGAFQWSA-N	0	0	182.307	3.118	10	0		AGAERN
COc1cc(C)c(Cl)cc1Cl	117009547	573313530	/nfs/dbraw/zinc/31/35/30/573313530.db2.gz	XBXKNVDZIYDWBC-UHFFFAOYSA-N	0	0	191.057	3.310	10	0		AGAERN
CCC[C@H]1C[C@@]1(O)C1C(C)(C)C1(C)C	86204058	573313557	/nfs/dbraw/zinc/31/35/57/573313557.db2.gz	AZCYHXDPBKGUJU-ZANVPECISA-N	0	0	196.334	3.220	10	0		AGAERN
Cc1ccccc1[C@H](O)CCCCF	308547241	573313562	/nfs/dbraw/zinc/31/35/62/573313562.db2.gz	QBTMYHBUXPLSJS-GFCCVEGCSA-N	0	0	196.265	3.168	10	0		AGAERN
CC/C(=C\[C@@H]1CCC[C@H](C)C1)CO	86209067	573313590	/nfs/dbraw/zinc/31/35/90/573313590.db2.gz	SETNHOMLNIXFNL-MLHLWSAZSA-N	0	0	182.307	3.141	10	0		AGAERN
CCC[C@@H]1C[C@]1(O)c1ccc(C)cc1	86203492	573313637	/nfs/dbraw/zinc/31/36/37/573313637.db2.gz	BYWPXOPSHOTMQG-OLZOCXBDSA-N	0	0	190.286	3.003	10	0		AGAERN
Cc1cc2cc(Cl)cc(F)c2[nH]1	117016376	573314531	/nfs/dbraw/zinc/31/45/31/573314531.db2.gz	XUBKYEWGBZOLOJ-UHFFFAOYSA-N	0	0	183.613	3.269	10	0		AGAERN
CCC[C@@H]1C[C@@]1(O)c1ccc(C)cc1	86203496	573314536	/nfs/dbraw/zinc/31/45/36/573314536.db2.gz	BYWPXOPSHOTMQG-CHWSQXEVSA-N	0	0	190.286	3.003	10	0		AGAERN
CC/C(=C\[C@H]1CCC[C@@H](C)C1)CO	86209073	573314774	/nfs/dbraw/zinc/31/47/74/573314774.db2.gz	SETNHOMLNIXFNL-IFTRRALSSA-N	0	0	182.307	3.141	10	0		AGAERN
CC(C)Cn1c(C(C)C)c[nH]c1=S	82944624	573314878	/nfs/dbraw/zinc/31/48/78/573314878.db2.gz	APLAWQFBKKOUOL-UHFFFAOYSA-N	0	0	198.335	3.325	10	0		AGAERN
CC(C)C[C@H]1C[C@@H]1c1ccccc1N	117147564	573324245	/nfs/dbraw/zinc/32/42/45/573324245.db2.gz	RBGSAOZZFRDGSY-JQWIXIFHSA-N	0	0	189.302	3.418	10	0		AGAERN
CO[C@H]1CC(C)=CC[C@@H]1C(C)C	238341908	573324423	/nfs/dbraw/zinc/32/44/23/573324423.db2.gz	KQFDNCQZXUTSPC-MNOVXSKESA-N	0	0	168.280	3.014	10	0		AGAERN
CCc1cc(CC)n(C[C@@H](C)CC)n1	132635747	573324499	/nfs/dbraw/zinc/32/44/99/573324499.db2.gz	FSUUQRCRNOJLQT-JTQLQIEISA-N	0	0	194.322	3.054	10	0		AGAERN
CCOC(=O)/C(C)=C\[C@H](C)C(C)(C)C	308553637	573324684	/nfs/dbraw/zinc/32/46/84/573324684.db2.gz	RDVJMYJCONBZNW-QROTZFDESA-N	0	0	198.306	3.178	10	0		AGAERN
CC(=O)C1CC(C)(C)CC(C)(C)C1	117271000	573324756	/nfs/dbraw/zinc/32/47/56/573324756.db2.gz	SUOTURAIVBUTMO-UHFFFAOYSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)CCc1ccc(C)cc1Cl	106873923	573325045	/nfs/dbraw/zinc/32/50/45/573325045.db2.gz	DSMBLWXNTUMKSS-UHFFFAOYSA-N	0	0	196.677	3.170	10	0		AGAERN
CC[C@@H](CNc1nc(C)co1)C(C)C	308553418	573325630	/nfs/dbraw/zinc/32/56/30/573325630.db2.gz	YKNKKORKIWEBHY-JTQLQIEISA-N	0	0	196.294	3.077	10	0		AGAERN
Nc1cccc(C2CCC(F)CC2)c1	259606788	573325768	/nfs/dbraw/zinc/32/57/68/573325768.db2.gz	DKTUMSIKANQWQA-UHFFFAOYSA-N	0	0	193.265	3.265	10	0		AGAERN
CCC[C@@H](O)[C@H](C)c1cccc(F)c1	212573180	573325780	/nfs/dbraw/zinc/32/57/80/573325780.db2.gz	JRVWBADYHDWZIK-BXKDBHETSA-N	0	0	196.265	3.090	10	0		AGAERN
Cc1cccc2c1[C@@H](C)C(C)(C)N2	258004489	573325814	/nfs/dbraw/zinc/32/58/14/573325814.db2.gz	CIKUXNQBHYJHTH-SECBINFHSA-N	0	0	175.275	3.303	10	0		AGAERN
CCOC(=O)/C(C)=C\[C@@H](C)C(C)(C)C	308553636	573325861	/nfs/dbraw/zinc/32/58/61/573325861.db2.gz	RDVJMYJCONBZNW-HSTULFTRSA-N	0	0	198.306	3.178	10	0		AGAERN
CNc1ccccc1[C@@H]1CC1(C)C	238343164	573325955	/nfs/dbraw/zinc/32/59/55/573325955.db2.gz	BBJSFVVRFWGECN-JTQLQIEISA-N	0	0	175.275	3.242	10	0		AGAERN
CCc1cc(SC)ccc1F	238343560	573325991	/nfs/dbraw/zinc/32/59/91/573325991.db2.gz	NHSRVYCBOCPWDT-UHFFFAOYSA-N	0	0	170.252	3.110	10	0		AGAERN
CCC[C@@H](O)[C@@H](C)c1cccc(F)c1	212573052	573326031	/nfs/dbraw/zinc/32/60/31/573326031.db2.gz	JRVWBADYHDWZIK-JOYOIKCWSA-N	0	0	196.265	3.090	10	0		AGAERN
CC1(C)C(Cn2cccc2)C1(C)C	86240762	573326244	/nfs/dbraw/zinc/32/62/44/573326244.db2.gz	RZWWAGWPXNMXLD-UHFFFAOYSA-N	0	0	177.291	3.170	10	0		AGAERN
CCc1cc(SC)ccc1CF	238343434	573326273	/nfs/dbraw/zinc/32/62/73/573326273.db2.gz	XZMXLZPXZSXYJH-UHFFFAOYSA-N	0	0	184.279	3.440	10	0		AGAERN
CC(=O)C1CCC2(CCCC2)CC1	117259576	573326348	/nfs/dbraw/zinc/32/63/48/573326348.db2.gz	RQIXTJKSRZDTSU-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
Cc1cc(F)cc(Cl)c1C	117244094	573326446	/nfs/dbraw/zinc/32/64/46/573326446.db2.gz	JUCSRUWZQAYFEO-UHFFFAOYSA-N	0	0	158.603	3.096	10	0		AGAERN
Cc1cc2sccc2cc1F	143594977	573326570	/nfs/dbraw/zinc/32/65/70/573326570.db2.gz	VRFXJUPPTLEJKX-UHFFFAOYSA-N	0	0	166.220	3.349	10	0		AGAERN
C/C=C/CSc1ccccc1NC	238342924	573326581	/nfs/dbraw/zinc/32/65/81/573326581.db2.gz	YQDALJNGCZNBFB-ONEGZZNKSA-N	0	0	193.315	3.397	10	0		AGAERN
CNc1ccccc1[C@H]1CC1(C)C	238343543	573326617	/nfs/dbraw/zinc/32/66/17/573326617.db2.gz	BBJSFVVRFWGECN-SNVBAGLBSA-N	0	0	175.275	3.242	10	0		AGAERN
CNc1c(C)cccc1C(C)(C)C	197319572	573326842	/nfs/dbraw/zinc/32/68/42/573326842.db2.gz	DKMGCWYPHBRSCY-UHFFFAOYSA-N	0	0	177.291	3.334	10	0		AGAERN
CC(C)CCC[C@@H](C)Nc1c[nH]cn1	308549846	573326896	/nfs/dbraw/zinc/32/68/96/573326896.db2.gz	WZIXHGBBXUCPHV-SNVBAGLBSA-N	0	0	195.310	3.036	10	0		AGAERN
CC(C)C[C@@H]1C[C@H]1c1ccccc1N	117147566	573326909	/nfs/dbraw/zinc/32/69/09/573326909.db2.gz	RBGSAOZZFRDGSY-ZYHUDNBSSA-N	0	0	189.302	3.418	10	0		AGAERN
CN1CCCCc2c(Cl)cccc21	238343400	573328578	/nfs/dbraw/zinc/32/85/78/573328578.db2.gz	UKQVUUVCRFYDTI-UHFFFAOYSA-N	0	0	195.693	3.113	10	0		AGAERN
Cc1ccncc1-c1cccs1	117182701	573328668	/nfs/dbraw/zinc/32/86/68/573328668.db2.gz	VFXZCVIUDDTBJV-UHFFFAOYSA-N	0	0	175.256	3.119	10	0		AGAERN
C1CCC2(C1)CCCSC2	74342404	573328845	/nfs/dbraw/zinc/32/88/45/573328845.db2.gz	RFGHRCPOYIJMSG-UHFFFAOYSA-N	0	0	156.294	3.074	10	0		AGAERN
CC1(C)C(n2cccc2)C1(C)C	86240764	573329651	/nfs/dbraw/zinc/32/96/51/573329651.db2.gz	INPXXLVJHANCJF-UHFFFAOYSA-N	0	0	163.264	3.095	10	0		AGAERN
COc1cc(Cl)c2[nH]c(C)cc2c1	238359572	573329952	/nfs/dbraw/zinc/32/99/52/573329952.db2.gz	AVDAHGKQQHIDFS-UHFFFAOYSA-N	0	0	195.649	3.138	10	0		AGAERN
C=Cc1ccc(CC)c2cc[nH]c12	238358198	573329974	/nfs/dbraw/zinc/32/99/74/573329974.db2.gz	NDMDLFLXTHLTNM-UHFFFAOYSA-N	0	0	171.243	3.373	10	0		AGAERN
CC(C)CCC[C@H](C)Nc1c[nH]cn1	308549845	573331368	/nfs/dbraw/zinc/33/13/68/573331368.db2.gz	WZIXHGBBXUCPHV-JTQLQIEISA-N	0	0	195.310	3.036	10	0		AGAERN
CC(C)n1ccc2cccc(C=O)c21	258002911	573331836	/nfs/dbraw/zinc/33/18/36/573331836.db2.gz	GGEDKKSEGXFJNI-UHFFFAOYSA-N	0	0	187.242	3.035	10	0		AGAERN
C[C@H](O)C1CC(C)(C)CC(C)(C)C1	117274772	573331969	/nfs/dbraw/zinc/33/19/69/573331969.db2.gz	ULVRGQHJRJUALB-VIFPVBQESA-N	0	0	184.323	3.220	10	0		AGAERN
COCc1csc2cccc(F)c12	258631252	573331989	/nfs/dbraw/zinc/33/19/89/573331989.db2.gz	LCRIQCDWYJRNKH-UHFFFAOYSA-N	0	0	196.246	3.187	10	0		AGAERN
COc1cc(Cl)c2cc(C)[nH]c2c1	238360059	573334221	/nfs/dbraw/zinc/33/42/21/573334221.db2.gz	YCRSGOVIJUMUFY-UHFFFAOYSA-N	0	0	195.649	3.138	10	0		AGAERN
CC(C)C[C@H]1CCC(F)(F)C1	258630763	573334308	/nfs/dbraw/zinc/33/43/08/573334308.db2.gz	CFVSSBXIGMBWFK-MRVPVSSYSA-N	0	0	162.223	3.468	10	0		AGAERN
COc1ccc(C)c2sccc12	143553765	573334439	/nfs/dbraw/zinc/33/44/39/573334439.db2.gz	JSHVGNRHRZUSCT-UHFFFAOYSA-N	0	0	178.256	3.218	10	0		AGAERN
CCCC1([C@H](O)c2cc(C)co2)CC1	715773102	573334575	/nfs/dbraw/zinc/33/45/75/573334575.db2.gz	KOTJMMZGGVQJQQ-LLVKDONJSA-N	0	0	194.274	3.202	10	0		AGAERN
CCc1ccc(F)cc1C(F)(F)F	143554400	573334628	/nfs/dbraw/zinc/33/46/28/573334628.db2.gz	ANQFFOQMHUCZSE-UHFFFAOYSA-N	0	0	192.155	3.407	10	0		AGAERN
c1c[nH]c(-c2ccc3occc3c2)c1	143519250	573334783	/nfs/dbraw/zinc/33/47/83/573334783.db2.gz	LMHVMDOXNZAHHV-UHFFFAOYSA-N	0	0	183.210	3.428	10	0		AGAERN
C[C@H](CO)CC[C@H]1CCC[C@@H](C)C1	308349916	573337809	/nfs/dbraw/zinc/33/78/09/573337809.db2.gz	XSGMQQLRCYMGQF-GRYCIOLGSA-N	0	0	184.323	3.221	10	0		AGAERN
COc1cc(F)cc2sccc12	238354693	573338223	/nfs/dbraw/zinc/33/82/23/573338223.db2.gz	BKBDGXVIAQZYIE-UHFFFAOYSA-N	0	0	182.219	3.049	10	0		AGAERN
CCc1ccc(C)c(SC)c1	238355672	573338271	/nfs/dbraw/zinc/33/82/71/573338271.db2.gz	UCZZBQMMJUBSIM-UHFFFAOYSA-N	0	0	166.289	3.279	10	0		AGAERN
CCSCCC[C@@H](CC)C(C)=O	129589942	573342093	/nfs/dbraw/zinc/34/20/93/573342093.db2.gz	ZJEZLKYEIARFCF-SNVBAGLBSA-N	0	0	188.336	3.135	10	0		AGAERN
CCCCCC[C@@H](C)F	117459799	573342177	/nfs/dbraw/zinc/34/21/77/573342177.db2.gz	TVJHFQWCMCKELZ-MRVPVSSYSA-N	0	0	132.222	3.315	10	0		AGAERN
C[C@H]1CC(C)(C)C[C@@]1(O)C(C)(C)C	235561790	573342289	/nfs/dbraw/zinc/34/22/89/573342289.db2.gz	DPVZARAOQANMLQ-CABZTGNLSA-N	0	0	184.323	3.220	10	0		AGAERN
Oc1cccc([C@H](C(F)F)C2CC2)c1	258005068	573342597	/nfs/dbraw/zinc/34/25/97/573342597.db2.gz	GTQZPZCKWBNGCI-SNVBAGLBSA-N	0	0	198.212	3.151	10	0		AGAERN
CCC[C@H](C)[C@@H](O)c1[nH]cc(C)c1C	308555095	573342614	/nfs/dbraw/zinc/34/26/14/573342614.db2.gz	RSAIDOJSJXGAGI-QPUJVOFHSA-N	0	0	195.306	3.101	10	0		AGAERN
CCCc1c(C)cc2ccccn12	143665943	573342675	/nfs/dbraw/zinc/34/26/75/573342675.db2.gz	KCQLDYRSVNCBSR-UHFFFAOYSA-N	0	0	173.259	3.200	10	0		AGAERN
COc1ccc(C)c2[nH]cc(Cl)c12	238364917	573347826	/nfs/dbraw/zinc/34/78/26/573347826.db2.gz	COTWSPKRGMELLX-UHFFFAOYSA-N	0	0	195.649	3.138	10	0		AGAERN
CCC[C@@H](O)C1CCCCCC1	78096240	573347388	/nfs/dbraw/zinc/34/73/88/573347388.db2.gz	MCMXHOODSAQQDX-LLVKDONJSA-N	0	0	170.296	3.118	10	0		AGAERN
CCCC(CCC)C(=O)c1cc[nH]c1	132905417	573347994	/nfs/dbraw/zinc/34/79/94/573347994.db2.gz	UYNDWKJYKGXPOL-UHFFFAOYSA-N	0	0	193.290	3.414	10	0		AGAERN
C[C@H]1CCCC[C@@]1(O)CCC1CC1	235568036	573348244	/nfs/dbraw/zinc/34/82/44/573348244.db2.gz	KBQVPYRBGOJTDY-CMPLNLGQSA-N	0	0	182.307	3.118	10	0		AGAERN
COc1ccc(C)c2oc(C)cc12	238366182	573348482	/nfs/dbraw/zinc/34/84/82/573348482.db2.gz	BTIRUPJROMSQLY-UHFFFAOYSA-N	0	0	176.215	3.058	10	0		AGAERN
CCc1c(C)[nH]c2cccc(C)c12	117533291	573348578	/nfs/dbraw/zinc/34/85/78/573348578.db2.gz	UEJQJMXBXQOYQI-UHFFFAOYSA-N	0	0	173.259	3.347	10	0		AGAERN
CC(=O)Cc1ccc(C)c(Cl)c1C	214863158	573357429	/nfs/dbraw/zinc/35/74/29/573357429.db2.gz	UPGJQZRLLRVQJL-UHFFFAOYSA-N	0	0	196.677	3.088	10	0		AGAERN
CC(=O)Cc1cc(C)c(Cl)c(C)c1	214863440	573357482	/nfs/dbraw/zinc/35/74/82/573357482.db2.gz	UGAPKFCMFVRNKE-UHFFFAOYSA-N	0	0	196.677	3.088	10	0		AGAERN
OCCCC/C=C/C1=CCCCC1	238649145	573357526	/nfs/dbraw/zinc/35/75/26/573357526.db2.gz	TXULZRDDYNYYDN-XBXARRHUSA-N	0	0	180.291	3.206	10	0		AGAERN
C[C@@H]1CC[C@@](O)(C2CC3(CCC3)C2)C1	717623490	573357625	/nfs/dbraw/zinc/35/76/25/573357625.db2.gz	AABWHKSNICKGJJ-MFKMUULPSA-N	0	0	194.318	3.118	10	0		AGAERN
Cc1coc([C@H](O)[C@H]2CCC[C@H]2C)c1	715781354	573357648	/nfs/dbraw/zinc/35/76/48/573357648.db2.gz	SDLXBRVCTJGGHH-JFGNBEQYSA-N	0	0	194.274	3.058	10	0		AGAERN
Cc1cccc2c1NC(C)(C)[C@H]2C	258298386	573357726	/nfs/dbraw/zinc/35/77/26/573357726.db2.gz	VADYZHDAIARMQB-VIFPVBQESA-N	0	0	175.275	3.303	10	0		AGAERN
CC(=O)Cc1c(C)ccc(C)c1Cl	214863371	573357770	/nfs/dbraw/zinc/35/77/70/573357770.db2.gz	VETIYWBOGRZTMM-UHFFFAOYSA-N	0	0	196.677	3.088	10	0		AGAERN
C[C@H]1C[C@@H]1COc1ccc(Cl)cc1	231576609	573357786	/nfs/dbraw/zinc/35/77/86/573357786.db2.gz	UBWMSXNPUADTSR-DTWKUNHWSA-N	0	0	196.677	3.375	10	0		AGAERN
CCCC(CCC)[C@@]1(O)C[C@@H]1CC	133013386	573361600	/nfs/dbraw/zinc/36/16/00/573361600.db2.gz	VLFSHIJVNGIYTJ-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1cnc(SC(C)C)n1C(C)C	258298105	573361749	/nfs/dbraw/zinc/36/17/49/573361749.db2.gz	UWRVXYLXXBTZNJ-UHFFFAOYSA-N	0	0	198.335	3.273	10	0		AGAERN
CCc1ccc(OCOC(C)C)cc1	308562358	573362020	/nfs/dbraw/zinc/36/20/20/573362020.db2.gz	YEUYZNVSSJJJLD-UHFFFAOYSA-N	0	0	194.274	3.010	10	0		AGAERN
Nc1cccc(F)c1C1CCCC1	259429317	573362081	/nfs/dbraw/zinc/36/20/81/573362081.db2.gz	KEGAUXBYXPIUBH-UHFFFAOYSA-N	0	0	179.238	3.066	10	0		AGAERN
Cc1cc(O)cc(C(C)C)c1C	117686579	573362212	/nfs/dbraw/zinc/36/22/12/573362212.db2.gz	KRODLHVHFVMRKY-UHFFFAOYSA-N	0	0	164.248	3.132	10	0		AGAERN
Cc1ccc2c(c1)NC(C)(C)[C@H]2C	258300937	573362228	/nfs/dbraw/zinc/36/22/28/573362228.db2.gz	VDXYZNPYXYRUOG-VIFPVBQESA-N	0	0	175.275	3.303	10	0		AGAERN
CC1(C)Nc2cccc(Cl)c2CO1	117756986	573366096	/nfs/dbraw/zinc/36/60/96/573366096.db2.gz	PWQSUTXYARYTPR-UHFFFAOYSA-N	0	0	197.665	3.018	10	0		AGAERN
C/C=C\[C@@H]1c2c(O)cccc2C[C@@H]1C	308367971	573366206	/nfs/dbraw/zinc/36/62/06/573366206.db2.gz	MHTYUEZCINCZNO-VQHWEZBXSA-N	0	0	188.270	3.244	10	0		AGAERN
CCc1ccc(CF)c(CC)c1	238361944	573366307	/nfs/dbraw/zinc/36/63/07/573366307.db2.gz	JHWSOXLOSHKOHM-UHFFFAOYSA-N	0	0	166.239	3.281	10	0		AGAERN
COc1c(C)cc(OC(C)C)cc1C	238361856	573366439	/nfs/dbraw/zinc/36/64/39/573366439.db2.gz	MEQNMJOERZSCND-UHFFFAOYSA-N	0	0	194.274	3.099	10	0		AGAERN
Cc1ccc(NCC(C)(C)F)cc1	107128468	573366536	/nfs/dbraw/zinc/36/65/36/573366536.db2.gz	ZHWOHDRWJVBIGY-UHFFFAOYSA-N	0	0	181.254	3.155	10	0		AGAERN
C[C@H]1CCCC[C@]1(O)CCC1CC1	235576531	573369980	/nfs/dbraw/zinc/36/99/80/573369980.db2.gz	KBQVPYRBGOJTDY-JQWIXIFHSA-N	0	0	182.307	3.118	10	0		AGAERN
CCCCc1nc(CCC)sc1N	50308361	573369982	/nfs/dbraw/zinc/36/99/82/573369982.db2.gz	YQPKSRAOOFBRNR-UHFFFAOYSA-N	0	0	198.335	3.020	10	0		AGAERN
COc1ccc2c(Cl)c[nH]c2c1C	238370489	573370012	/nfs/dbraw/zinc/37/00/12/573370012.db2.gz	QECVUQLTFGHYMV-UHFFFAOYSA-N	0	0	195.649	3.138	10	0		AGAERN
Oc1cc(O)cc(C2CCCCC2)c1	117830489	573370116	/nfs/dbraw/zinc/37/01/16/573370116.db2.gz	OHKGJINKTSLQLP-UHFFFAOYSA-N	0	0	192.258	3.146	10	0		AGAERN
CCCC(CCC)c1onc(N)c1C	133052061	573370320	/nfs/dbraw/zinc/37/03/20/573370320.db2.gz	AIMBLVPWVYMFAN-UHFFFAOYSA-N	0	0	196.294	3.249	10	0		AGAERN
CC1=CC(C)(C)[C@H](C/C=C/[C@@H](C)O)C1	238380142	573370945	/nfs/dbraw/zinc/37/09/45/573370945.db2.gz	WTXYIFRGJKGBCI-IEVRTODYSA-N	0	0	194.318	3.306	10	0		AGAERN
Cc1coc(C=O)c1-c1ccccc1	107131628	573371209	/nfs/dbraw/zinc/37/12/09/573371209.db2.gz	XEKPGHWBXIREPR-UHFFFAOYSA-N	0	0	186.210	3.068	10	0		AGAERN
Clc1ccccc1Oc1cnoc1	258324628	573371486	/nfs/dbraw/zinc/37/14/86/573371486.db2.gz	DJXGKGCEDCMFRW-UHFFFAOYSA-N	0	0	195.605	3.120	10	0		AGAERN
CCC(=O)C[C@@H]1CCC[C@H](C)C1	86353023	573379419	/nfs/dbraw/zinc/37/94/19/573379419.db2.gz	GPSHNUPMKOLHLT-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(=O)[C@H](C)[C@H]1CCC[C@@H](C)C1	86353507	573379437	/nfs/dbraw/zinc/37/94/37/573379437.db2.gz	JATDFUXWJHBFAS-YWVKMMECSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)[C@H](C)[C@@H]1CC[C@H](C)[C@@H](C)C1	86353528	573379464	/nfs/dbraw/zinc/37/94/64/573379464.db2.gz	TXSUHMKSKXVTHS-QFOLPQNPSA-N	0	0	182.307	3.284	10	0		AGAERN
CC=C(C)Nc1ccc(OC)cc1	238373057	573378778	/nfs/dbraw/zinc/37/87/78/573378778.db2.gz	GVJYWICNHKZBEH-RUDMXATFSA-N	0	0	177.247	3.031	10	0		AGAERN
Cc1c(F)ccc2sccc12	117904829	573378790	/nfs/dbraw/zinc/37/87/90/573378790.db2.gz	OQOUXIZQZVYXIX-UHFFFAOYSA-N	0	0	166.220	3.349	10	0		AGAERN
C[C@@H]1CCC(=O)[C@H](CCC2CC2)C1	86354922	573379280	/nfs/dbraw/zinc/37/92/80/573379280.db2.gz	CNCMSDONHDXKQT-MWLCHTKSSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@H](C)[C@H]1C[C@H](CC)CCC1=O	86355296	573379338	/nfs/dbraw/zinc/37/93/38/573379338.db2.gz	PGSINTZTOYWZAW-HBNTYKKESA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)[C@H](C)[C@@H]1CCC[C@@H](C)C1	86353512	573379352	/nfs/dbraw/zinc/37/93/52/573379352.db2.gz	JATDFUXWJHBFAS-WCABBAIRSA-N	0	0	168.280	3.038	10	0		AGAERN
CCC(=O)CC1CCC(C)CC1	86353021	573379365	/nfs/dbraw/zinc/37/93/65/573379365.db2.gz	PCDTXJOWBYAVCJ-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
O=C1CCCCC[C@@H]1CC1CCC1	86354603	573379497	/nfs/dbraw/zinc/37/94/97/573379497.db2.gz	XOEVCAJZDOSYDM-LLVKDONJSA-N	0	0	180.291	3.326	10	0		AGAERN
C=C/C=C/CCCC[C@H](O)CCC	78064964	573379502	/nfs/dbraw/zinc/37/95/02/573379502.db2.gz	OGGQFYGKVSPCRR-BTDICHCPSA-N	0	0	182.307	3.450	10	0		AGAERN
CC[C@@H]1CCC(=O)[C@@H](CC(F)F)C1	86355389	573379549	/nfs/dbraw/zinc/37/95/49/573379549.db2.gz	APUSCRKQEVVXGL-HTQZYQBOSA-N	0	0	190.233	3.037	10	0		AGAERN
C1=C(c2cc3cccnc3[nH]2)CCC1	117988462	573379554	/nfs/dbraw/zinc/37/95/54/573379554.db2.gz	XSDHUNJXGTUPDB-UHFFFAOYSA-N	0	0	184.242	3.130	10	0		AGAERN
C/C=C\CC[C@@H]1CCCCC1=O	213043675	573379675	/nfs/dbraw/zinc/37/96/75/573379675.db2.gz	UVUMDYLLZYHGCJ-MXQLGCADSA-N	0	0	166.264	3.102	10	0		AGAERN
C[C@H]1CCC(=O)[C@H](CC2CCC2)C1	86354811	573379705	/nfs/dbraw/zinc/37/97/05/573379705.db2.gz	FDOUPXJNUNGQRU-ONGXEEELSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@@](O)(C1CCC(C)CC1)C1CC1	83058364	573379724	/nfs/dbraw/zinc/37/97/24/573379724.db2.gz	BMTMMMFDIFQLHP-GCZXYKMCSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC[C@H]1CCC(=O)[C@H](C(C)C)C1	86355719	573379739	/nfs/dbraw/zinc/37/97/39/573379739.db2.gz	FJCKUVAPQSLPQH-QWRGUYRKSA-N	0	0	182.307	3.428	10	0		AGAERN
Cc1csc2c([C@@H](C)O)cccc12	258017372	573379773	/nfs/dbraw/zinc/37/97/73/573379773.db2.gz	JHOOTJUFDVXEKJ-MRVPVSSYSA-N	0	0	192.283	3.263	10	0		AGAERN
O=C1CCCCC[C@H]1CCC1CC1	86354655	573379807	/nfs/dbraw/zinc/37/98/07/573379807.db2.gz	DPRONGCGAXSELJ-NSHDSACASA-N	0	0	180.291	3.326	10	0		AGAERN
C=C/C=C\CCCC[C@H](O)CCC	78064963	573379817	/nfs/dbraw/zinc/37/98/17/573379817.db2.gz	OGGQFYGKVSPCRR-FOQNGQEVSA-N	0	0	182.307	3.450	10	0		AGAERN
CC(=O)[C@H](C)[C@@H]1CCC[C@H](C)C1	86353514	573379859	/nfs/dbraw/zinc/37/98/59/573379859.db2.gz	JATDFUXWJHBFAS-ATZCPNFKSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)Nc1ccc2cccc(C)c2c1	238119266	573379961	/nfs/dbraw/zinc/37/99/61/573379961.db2.gz	VWTNFHVIVYGOCO-UHFFFAOYSA-N	0	0	199.253	3.107	10	0		AGAERN
C/C=C(/CC)c1ccc(F)c(C=O)c1	117979257	573380124	/nfs/dbraw/zinc/38/01/24/573380124.db2.gz	FWDLMPQKEFGOPJ-OQFOIZHKSA-N	0	0	192.233	3.452	10	0		AGAERN
C=C/C=C\CCCC[C@@H](O)CCC	78064958	573380141	/nfs/dbraw/zinc/38/01/41/573380141.db2.gz	OGGQFYGKVSPCRR-FJOGCWAESA-N	0	0	182.307	3.450	10	0		AGAERN
CC[C@H](C(C)=O)[C@H]1CCC[C@H](C)C1	86353854	573380146	/nfs/dbraw/zinc/38/01/46/573380146.db2.gz	IURYCYHUORXZND-ZMLRMANQSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)[C@H](C)C1CCC(C)CC1	86353503	573380165	/nfs/dbraw/zinc/38/01/65/573380165.db2.gz	IUMGPJBZLCIART-YUCVTWSNSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@H](C)[C@@H]1Cc2ccccc2C1=O	86354392	573380247	/nfs/dbraw/zinc/38/02/47/573380247.db2.gz	FANIXINFBJLLKB-CABZTGNLSA-N	0	0	188.270	3.088	10	0		AGAERN
CC(C)[C@@H](O)C[C@H]1CCC[C@@H](C)C1	86359503	573384565	/nfs/dbraw/zinc/38/45/65/573384565.db2.gz	WVLQUUTUVDNEIB-WOPDTQHZSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@@H]1CCCC[C@@H]1[C@@H](C)[C@@H](C)O	86359927	573384599	/nfs/dbraw/zinc/38/45/99/573384599.db2.gz	NUFMQTXQYDQGNH-IRCOFANPSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@](O)(C1CCCCC1)C1CC1	83058254	573383812	/nfs/dbraw/zinc/38/38/12/573383812.db2.gz	ATTNUKNXGPRPGF-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(=O)[C@@H](C(C)C)C1CCCC1	86356354	573383848	/nfs/dbraw/zinc/38/38/48/573383848.db2.gz	JPKAZPHYYNTMHU-LLVKDONJSA-N	0	0	168.280	3.038	10	0		AGAERN
CCSc1cccc2cc[nH]c12	118068917	573383880	/nfs/dbraw/zinc/38/38/80/573383880.db2.gz	NTSZCCKWXNBRPB-UHFFFAOYSA-N	0	0	177.272	3.280	10	0		AGAERN
CC1CCC(CC(=O)C2CC2)CC1	86356752	573383948	/nfs/dbraw/zinc/38/39/48/573383948.db2.gz	XJRRXTUVCMKMGR-UHFFFAOYSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1cccc([C@H](CO)CC(C)C)c1	86357335	573383991	/nfs/dbraw/zinc/38/39/91/573383991.db2.gz	RSWQTJBUIZNWGR-ZDUSSCGKSA-N	0	0	192.302	3.117	10	0		AGAERN
C[C@@H]1CCC[C@@H](CC(=O)C2CC2)C1	86356757	573384031	/nfs/dbraw/zinc/38/40/31/573384031.db2.gz	WXJXFWOLCHFQLY-NXEZZACHSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@H]1CCC[C@@H](CC(=O)C2CC2)C1	86356759	573384160	/nfs/dbraw/zinc/38/41/60/573384160.db2.gz	WXJXFWOLCHFQLY-VHSXEESVSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@H]1CC(CC(=O)C2CC2)C[C@H](C)C1	86356703	573384168	/nfs/dbraw/zinc/38/41/68/573384168.db2.gz	DSAQIWHDHDQBEB-NXEZZACHSA-N	0	0	194.318	3.428	10	0		AGAERN
CC[C@](O)(c1ccc(C)cc1)C1CC1	83058445	573384219	/nfs/dbraw/zinc/38/42/19/573384219.db2.gz	YNQLAQIEPMSFIB-ZDUSSCGKSA-N	0	0	190.286	3.003	10	0		AGAERN
CC(C)c1ncc(Cl)n1C(C)C	258642167	573384248	/nfs/dbraw/zinc/38/42/48/573384248.db2.gz	WFCJNZYPZWSWAM-UHFFFAOYSA-N	0	0	186.686	3.241	10	0		AGAERN
C[C@H]1C(=O)CC[C@H]1C1CC2(CCC2)C1	717625014	573384252	/nfs/dbraw/zinc/38/42/52/573384252.db2.gz	BLZDWXLOPSHLMK-MWLCHTKSSA-N	0	0	192.302	3.182	10	0		AGAERN
CCSc1cccc2[nH]ccc12	118073951	573384408	/nfs/dbraw/zinc/38/44/08/573384408.db2.gz	OYPRQDRLLGAERV-UHFFFAOYSA-N	0	0	177.272	3.280	10	0		AGAERN
CC[C@H](O)C[C@@H]1CC[C@H](C)[C@H](C)C1	86359243	573386443	/nfs/dbraw/zinc/38/64/43/573386443.db2.gz	GNORJUOWXKGLNU-QCNOEVLYSA-N	0	0	184.323	3.220	10	0		AGAERN
CSCc1c[nH]c2cc(C)ccc12	238376482	573386452	/nfs/dbraw/zinc/38/64/52/573386452.db2.gz	SJCMXCUGEIPVTF-UHFFFAOYSA-N	0	0	191.299	3.339	10	0		AGAERN
CC(C)[C@@H](O)C[C@@H]1CCC[C@@H](C)C1	86359507	573385898	/nfs/dbraw/zinc/38/58/98/573385898.db2.gz	WVLQUUTUVDNEIB-UTUOFQBUSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC(=O)[C@H](C)C1CCC(C)CC1	86357014	573385907	/nfs/dbraw/zinc/38/59/07/573385907.db2.gz	YQXXJKZFQNKMOX-HSOILSAZSA-N	0	0	182.307	3.428	10	0		AGAERN
Cc1coc2c(Cl)cccc12	118017014	573385924	/nfs/dbraw/zinc/38/59/24/573385924.db2.gz	IZCGXDIMRKJJAX-UHFFFAOYSA-N	0	0	166.607	3.395	10	0		AGAERN
C[C@H]1C[C@@H](CC(=O)C2CC2)CC[C@H]1C	86356767	573385976	/nfs/dbraw/zinc/38/59/76/573385976.db2.gz	MFGBYFOJMPYXAL-VWYCJHECSA-N	0	0	194.318	3.428	10	0		AGAERN
Cc1c(F)cc(Cl)c2[nH]ccc12	118091323	573386026	/nfs/dbraw/zinc/38/60/26/573386026.db2.gz	HBCSTWXUSYYHLM-UHFFFAOYSA-N	0	0	183.613	3.269	10	0		AGAERN
CC(=O)[C@H](C(C)C)C1CCCC1	86356356	573386056	/nfs/dbraw/zinc/38/60/56/573386056.db2.gz	JPKAZPHYYNTMHU-NSHDSACASA-N	0	0	168.280	3.038	10	0		AGAERN
CC(=O)[C@@H](C(C)C)C1CCCCC1	86356295	573386062	/nfs/dbraw/zinc/38/60/62/573386062.db2.gz	VQOVBNGEOOIGDT-GFCCVEGCSA-N	0	0	182.307	3.428	10	0		AGAERN
CC(=O)[C@H](CCC1CC1)C(C)C	86356405	573386105	/nfs/dbraw/zinc/38/61/05/573386105.db2.gz	ALDZVXITWZZFSO-LLVKDONJSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@@H](C1CCC(C)CC1)[C@H](C)O	86358543	573386143	/nfs/dbraw/zinc/38/61/43/573386143.db2.gz	HHKCFLCQBXUPNR-POSLAHMBSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@@H]1CC(CC(=O)C2CC2)C[C@@H](C)C1	86356701	573386150	/nfs/dbraw/zinc/38/61/50/573386150.db2.gz	DSAQIWHDHDQBEB-UWVGGRQHSA-N	0	0	194.318	3.428	10	0		AGAERN
CC[C@H](C1CCC(C)CC1)[C@H](C)O	86358546	573386242	/nfs/dbraw/zinc/38/62/42/573386242.db2.gz	HHKCFLCQBXUPNR-ADPBJBESSA-N	0	0	184.323	3.220	10	0		AGAERN
CC1CCC(C[C@@H](O)C(C)C)CC1	86359502	573386281	/nfs/dbraw/zinc/38/62/81/573386281.db2.gz	FJAZVJQLILAXTR-HTAVTVPLSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)=CC[C@]1(C)CCC=C(C)[C@@H]1O	118240085	573389109	/nfs/dbraw/zinc/38/91/09/573389109.db2.gz	LOZUYPGXBGFLIN-STQMWFEESA-N	0	0	194.318	3.450	10	0		AGAERN
C[C@H]1CC(C)(C)C[C@H]1NOC(C)(C)C	235580286	573388540	/nfs/dbraw/zinc/38/85/40/573388540.db2.gz	VSITXVHRMZGSPY-VHSXEESVSA-N	0	0	199.338	3.131	10	0		AGAERN
COc1cc(C)cc2cc(Cl)[nH]c12	238377597	573388701	/nfs/dbraw/zinc/38/87/01/573388701.db2.gz	CODNTAGGGIHUDP-UHFFFAOYSA-N	0	0	195.649	3.138	10	0		AGAERN
CC[C@@H]1CCC[C@H]([C@@H](C)[C@@H](C)O)C1	86360375	573388702	/nfs/dbraw/zinc/38/87/02/573388702.db2.gz	OAMVVINZQRSIHP-QCNOEVLYSA-N	0	0	184.323	3.220	10	0		AGAERN
C[C@@H]1CC(C)(C)c2ccc(F)cc2N1	258012157	573388849	/nfs/dbraw/zinc/38/88/49/573388849.db2.gz	NBPRXNFZVDLGSE-MRVPVSSYSA-N	0	0	193.265	3.307	10	0		AGAERN
CC(C)[C@H](C1CCCCC1)[C@H](C)O	86362740	573388891	/nfs/dbraw/zinc/38/88/91/573388891.db2.gz	VWROXTYIKBNRNT-JQWIXIFHSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H](C)[C@H](O)c1ccc(C)c(F)c1	86388072	573396348	/nfs/dbraw/zinc/39/63/48/573396348.db2.gz	RHTQWUSHKLOSHC-UFBFGSQYSA-N	0	0	196.265	3.214	10	0		AGAERN
CC[C@H](C)[C@@H](O)C1CCCCCC1	86388447	573396545	/nfs/dbraw/zinc/39/65/45/573396545.db2.gz	WBICBFVNCREHNC-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H](C)[C@@](C)(O)c1sccc1C	86388167	573396566	/nfs/dbraw/zinc/39/65/66/573396566.db2.gz	BPJKGAUZPUJQGQ-MWLCHTKSSA-N	0	0	198.331	3.310	10	0		AGAERN
CC[C@H](C)[C@@]1(O)CCC[C@@H](CC)C1	86388218	573396585	/nfs/dbraw/zinc/39/65/85/573396585.db2.gz	WOBGRLIGPIHPPF-QJPTWQEYSA-N	0	0	184.323	3.364	10	0		AGAERN
COc1ccc2sccc2c1F	238386736	573396817	/nfs/dbraw/zinc/39/68/17/573396817.db2.gz	YSQNQBXQRMIBIE-UHFFFAOYSA-N	0	0	182.219	3.049	10	0		AGAERN
CSc1cccc2c1CC[C@@H](C)N2	238386567	573396871	/nfs/dbraw/zinc/39/68/71/573396871.db2.gz	SVNXMZVCHAUYLK-MRVPVSSYSA-N	0	0	193.315	3.155	10	0		AGAERN
CC[C@H](C)C1(O)C[C@@H](C)C[C@H](C)C1	86388269	573396885	/nfs/dbraw/zinc/39/68/85/573396885.db2.gz	JRWULKDONVIKTK-DCAQKATOSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@@H](C)[C@H](O)C1CCCCCC1	86388441	573396944	/nfs/dbraw/zinc/39/69/44/573396944.db2.gz	WBICBFVNCREHNC-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)[C@]1(O)CC[C@H](C)[C@H](C)C1	86388273	573397041	/nfs/dbraw/zinc/39/70/41/573397041.db2.gz	CRCSYORGHQODQR-USZNOCQGSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC1CCC(O)([C@@H](C)CC)CC1	86387682	573397081	/nfs/dbraw/zinc/39/70/81/573397081.db2.gz	CCFKDUCLKCSQJZ-UNXYVOJBSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@H](C)[C@@]1(O)CCCC(C)(C)C1	86388244	573397102	/nfs/dbraw/zinc/39/71/02/573397102.db2.gz	XQZQHXBLKNIXAK-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1ccc(C)c([C@@H](C)[C@@H](C)CO)c1	238379877	573398582	/nfs/dbraw/zinc/39/85/82/573398582.db2.gz	LIBYUULNRNKHEY-RYUDHWBXSA-N	0	0	192.302	3.035	10	0		AGAERN
CC(=O)C(C)(C)C1=CCCCC1	118343665	573397944	/nfs/dbraw/zinc/39/79/44/573397944.db2.gz	CQSWVFWKWIJTJK-UHFFFAOYSA-N	0	0	166.264	3.102	10	0		AGAERN
C[C@@H](c1ccco1)c1ccccc1N	238386070	573398244	/nfs/dbraw/zinc/39/82/44/573398244.db2.gz	KSNBWFSZVIVLRT-SECBINFHSA-N	0	0	187.242	3.014	10	0		AGAERN
CC[C@@H](C)C(=O)CC(C)(C)C	86388957	573398319	/nfs/dbraw/zinc/39/83/19/573398319.db2.gz	FIIKWMDZFDTLAC-MRVPVSSYSA-N	0	0	156.269	3.038	10	0		AGAERN
CC[C@H](C)C(=O)c1ccc(C)c(F)c1	86388867	573398445	/nfs/dbraw/zinc/39/84/45/573398445.db2.gz	SHAONYAZWFKARO-QMMMGPOBSA-N	0	0	194.249	3.363	10	0		AGAERN
CC[C@H](C)[C@H]1CCCCC(=O)C1	86393985	573398937	/nfs/dbraw/zinc/39/89/37/573398937.db2.gz	WDAHDFRUSUGIHQ-UWVGGRQHSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H](C)C1=C[C@@H](O)CC(C)(C)C1	86394287	573399034	/nfs/dbraw/zinc/39/90/34/573399034.db2.gz	POPDMSZOPKLIHV-MWLCHTKSSA-N	0	0	182.307	3.140	10	0		AGAERN
CC[C@H](C)[C@H]1Cc2ccccc2N1	86393921	573399337	/nfs/dbraw/zinc/39/93/37/573399337.db2.gz	GXMJQYVOFUYXPN-JOYOIKCWSA-N	0	0	175.275	3.069	10	0		AGAERN
Cc1cc(F)c(C(C)C)cc1C=O	257810199	573399426	/nfs/dbraw/zinc/39/94/26/573399426.db2.gz	AFHXTIYCJCGNGJ-UHFFFAOYSA-N	0	0	180.222	3.070	10	0		AGAERN
CC[C@H](C)C1=C[C@H](O)CC(C)(C)C1	86394286	573399431	/nfs/dbraw/zinc/39/94/31/573399431.db2.gz	POPDMSZOPKLIHV-ONGXEEELSA-N	0	0	182.307	3.140	10	0		AGAERN
CC[C@@H](C)[C@H]1CCCCC(=O)C1	86393984	573399816	/nfs/dbraw/zinc/39/98/16/573399816.db2.gz	WDAHDFRUSUGIHQ-ZJUUUORDSA-N	0	0	168.280	3.182	10	0		AGAERN
CC[C@@H](C)C(C)(C)CC(C)=O	86393995	573399883	/nfs/dbraw/zinc/39/98/83/573399883.db2.gz	AIZJXZXJVNYKCU-MRVPVSSYSA-N	0	0	156.269	3.038	10	0		AGAERN
CC[C@H](C)C(C)(C)CC(C)=O	86393996	573400067	/nfs/dbraw/zinc/40/00/67/573400067.db2.gz	AIZJXZXJVNYKCU-QMMMGPOBSA-N	0	0	156.269	3.038	10	0		AGAERN
CC[C@@H](C)[C@@H]1Cc2ccccc2N1	86393915	573400073	/nfs/dbraw/zinc/40/00/73/573400073.db2.gz	GXMJQYVOFUYXPN-SKDRFNHKSA-N	0	0	175.275	3.069	10	0		AGAERN
CC[C@H](C)C(=O)[C@H]1CC[C@H](C)C1	86389116	573400083	/nfs/dbraw/zinc/40/00/83/573400083.db2.gz	AEIATASMLFSPTN-GUBZILKMSA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@H](C)C(=O)[C@@H]1CC[C@H](C)C1	86389112	573400099	/nfs/dbraw/zinc/40/00/99/573400099.db2.gz	AEIATASMLFSPTN-LPEHRKFASA-N	0	0	168.280	3.038	10	0		AGAERN
CC[C@@H](C)[C@@H]1CCCCC(=O)C1	86393980	573400190	/nfs/dbraw/zinc/40/01/90/573400190.db2.gz	WDAHDFRUSUGIHQ-NXEZZACHSA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1ccc([C@@H](C)O)c(Cl)c1C	238387103	573400268	/nfs/dbraw/zinc/40/02/68/573400268.db2.gz	IWAVUDVTSHBSTM-MRVPVSSYSA-N	0	0	184.666	3.010	10	0		AGAERN
CC[C@@H](C)[C@H]1Cc2ccccc2N1	86393919	573400374	/nfs/dbraw/zinc/40/03/74/573400374.db2.gz	GXMJQYVOFUYXPN-BXKDBHETSA-N	0	0	175.275	3.069	10	0		AGAERN
CC(=O)c1cc(CC(C)C)c(C)s1	118562324	573406353	/nfs/dbraw/zinc/40/63/53/573406353.db2.gz	CBSGZLWWZLRONM-UHFFFAOYSA-N	0	0	196.315	3.458	10	0		AGAERN
CC1=C2CCC(=O)[C@@H](C)[C@@]2(C)CC1	238389443	573406425	/nfs/dbraw/zinc/40/64/25/573406425.db2.gz	YTIHMSWFHWRFLF-BXKDBHETSA-N	0	0	178.275	3.102	10	0		AGAERN
O[C@@H](CC1CCCCC1)C1CCC1	83120671	573412420	/nfs/dbraw/zinc/41/24/20/573412420.db2.gz	OKINUFVVPOVURZ-LBPRGKRZSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1ccc(F)c(C(=O)C2CCC2)c1	83120309	573412469	/nfs/dbraw/zinc/41/24/69/573412469.db2.gz	BCZOMZYCZUEWBG-UHFFFAOYSA-N	0	0	192.233	3.117	10	0		AGAERN
CSc1ccc2cccc(N)c2c1	238381995	573412529	/nfs/dbraw/zinc/41/25/29/573412529.db2.gz	GLPZEWGGIDVCFN-UHFFFAOYSA-N	0	0	189.283	3.144	10	0		AGAERN
C[C@H]1C[C@@H]([C@H](O)C2CCC2)CC[C@H]1C	83120925	573412653	/nfs/dbraw/zinc/41/26/53/573412653.db2.gz	GPYZAYJDBPMIKY-RSLMWUCJSA-N	0	0	196.334	3.220	10	0		AGAERN
Cc1ccc(F)cc1C(=O)C1CCC1	83120264	573412746	/nfs/dbraw/zinc/41/27/46/573412746.db2.gz	DSORBHJNBCELGJ-UHFFFAOYSA-N	0	0	192.233	3.117	10	0		AGAERN
O[C@@H](c1cccc(Cl)c1)C1CCC1	83120944	573412752	/nfs/dbraw/zinc/41/27/52/573412752.db2.gz	LTLVJEXOOPTPTN-LLVKDONJSA-N	0	0	196.677	3.174	10	0		AGAERN
Cc1cccc([C@@H](O)C2CCC2)c1C	83120493	573412908	/nfs/dbraw/zinc/41/29/08/573412908.db2.gz	KCCUDOIGWCYVKL-ZDUSSCGKSA-N	0	0	190.286	3.137	10	0		AGAERN
CC(C)c1ccc([C@@H](N)C(F)F)cc1	83119964	573412992	/nfs/dbraw/zinc/41/29/92/573412992.db2.gz	XMCNSWZVEAPCJF-SNVBAGLBSA-N	0	0	199.244	3.075	10	0		AGAERN
Cc1sc2ccccc2c1[C@@H](C)O	238381801	573413034	/nfs/dbraw/zinc/41/30/34/573413034.db2.gz	VVZFTWGIQMKMNK-SSDOTTSWSA-N	0	0	192.283	3.263	10	0		AGAERN
CCC1(C[C@@H](O)[C@@H](C)C2CC2)CCC1	308578801	573412388	/nfs/dbraw/zinc/41/23/88/573412388.db2.gz	OAFKULZMPPTFDM-CMPLNLGQSA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@H](C)C[C@H]1CCCCC[C@@H]1O	50428145	573419275	/nfs/dbraw/zinc/41/92/75/573419275.db2.gz	XWZGJZQACGOUBP-UTUOFQBUSA-N	0	0	184.323	3.364	10	0		AGAERN
CS[C@@H](C)c1cc(C)ccc1O	238384434	573419639	/nfs/dbraw/zinc/41/96/39/573419639.db2.gz	MZRLNKFZOVFADQ-QMMMGPOBSA-N	0	0	182.288	3.125	10	0		AGAERN
CC[C@H](C)COc1cccc(C)c1N	50423279	573419667	/nfs/dbraw/zinc/41/96/67/573419667.db2.gz	FDROOOPYQBNBFX-VIFPVBQESA-N	0	0	193.290	3.002	10	0		AGAERN
CC[C@@H](C)COc1ccc(C)cc1N	50423292	573419856	/nfs/dbraw/zinc/41/98/56/573419856.db2.gz	GGTASMOJOBSQIP-SECBINFHSA-N	0	0	193.290	3.002	10	0		AGAERN
C[C@@H]1C[C@@H](C)c2sccc2N1	258024263	573420520	/nfs/dbraw/zinc/42/05/20/573420520.db2.gz	OHLUIBDBPKBLGU-RNFRBKRXSA-N	0	0	167.277	3.056	10	0		AGAERN
CSc1cccc2c1SCCC2	238385483	573420739	/nfs/dbraw/zinc/42/07/39/573420739.db2.gz	VNSFHBXIGRZWMM-UHFFFAOYSA-N	0	0	196.340	3.447	10	0		AGAERN
CC[C@H](C)COc1cc(N)ccc1C	50423283	573420868	/nfs/dbraw/zinc/42/08/68/573420868.db2.gz	SYGRZSCODYTDTK-VIFPVBQESA-N	0	0	193.290	3.002	10	0		AGAERN
CSc1cccc(-c2ccc[nH]2)c1	238385245	573421028	/nfs/dbraw/zinc/42/10/28/573421028.db2.gz	CINARZXVRHJTFJ-UHFFFAOYSA-N	0	0	189.283	3.404	10	0		AGAERN
C[C@H]1C[C@@H](C)Nc2ccsc21	258024260	573423897	/nfs/dbraw/zinc/42/38/97/573423897.db2.gz	OHLUIBDBPKBLGU-NKWVEPMBSA-N	0	0	167.277	3.056	10	0		AGAERN
C[C@@H](CO)c1ccc(C2CCC2)cc1	258024779	573424212	/nfs/dbraw/zinc/42/42/12/573424212.db2.gz	IOVGRBBAXOUAKM-JTQLQIEISA-N	0	0	190.286	3.050	10	0		AGAERN
Cc1cc(C)c([C@@H](O)C(C)C)cc1C	83138475	573424569	/nfs/dbraw/zinc/42/45/69/573424569.db2.gz	WRTHWYMXFUUKEO-ZDUSSCGKSA-N	0	0	192.302	3.301	10	0		AGAERN
CCC[C@@H](O)c1cc(C)c(C)cc1C	83137797	573424888	/nfs/dbraw/zinc/42/48/88/573424888.db2.gz	WQQQQHOKRODBPI-CYBMUJFWSA-N	0	0	192.302	3.445	10	0		AGAERN
Cc1cc(C)c2c3c([nH]c2c1)CCC3	83137557	573425098	/nfs/dbraw/zinc/42/50/98/573425098.db2.gz	RXHFNIBHBLHMSO-UHFFFAOYSA-N	0	0	185.270	3.273	10	0		AGAERN
CC[C@@H](C)C1(C)CCC(=O)CC1	144132404	573427486	/nfs/dbraw/zinc/42/74/86/573427486.db2.gz	VRPCNGQJAJOUMC-SECBINFHSA-N	0	0	168.280	3.182	10	0		AGAERN
COc1c(Cl)ccc2cc(C)[nH]c12	238392813	573430681	/nfs/dbraw/zinc/43/06/81/573430681.db2.gz	GTKZLGYDPDVBTC-UHFFFAOYSA-N	0	0	195.649	3.138	10	0		AGAERN
COc1c(Cl)ccc2[nH]c(C)cc12	238392362	573430745	/nfs/dbraw/zinc/43/07/45/573430745.db2.gz	PEIJSSLOFOHSOT-UHFFFAOYSA-N	0	0	195.649	3.138	10	0		AGAERN
CC(=O)C(F)(F)CC1CCCCC1	257812324	573430805	/nfs/dbraw/zinc/43/08/05/573430805.db2.gz	BSFSMIAJSALZML-UHFFFAOYSA-N	0	0	190.233	3.181	10	0		AGAERN
CS[C@H](C)c1cc(C)ccc1O	238392909	573430808	/nfs/dbraw/zinc/43/08/08/573430808.db2.gz	MZRLNKFZOVFADQ-MRVPVSSYSA-N	0	0	182.288	3.125	10	0		AGAERN
C[C@@H](O)c1coc2cc(Cl)ccc12	238393113	573430899	/nfs/dbraw/zinc/43/08/99/573430899.db2.gz	TZYZDTSCVXVEHJ-ZCFIWIBFSA-N	0	0	196.633	3.140	10	0		AGAERN
CC[C@H](C)C1(C)CCC(=O)CC1	144132610	573431338	/nfs/dbraw/zinc/43/13/38/573431338.db2.gz	VRPCNGQJAJOUMC-VIFPVBQESA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1cc(C)c(NC(=O)S)c(C)c1	258650573	573431363	/nfs/dbraw/zinc/43/13/63/573431363.db2.gz	FXFAUNRXVMPGTL-UHFFFAOYSA-N	0	0	195.287	3.074	10	0		AGAERN
Oc1ccccc1[C@H]1CCCSC1	257811848	573434919	/nfs/dbraw/zinc/43/49/19/573434919.db2.gz	BKGCTOJJMYRAMJ-VIFPVBQESA-N	0	0	194.299	3.003	10	0		AGAERN
CC[C@H](C)[C@H](O)[C@@H]1CC=C(C)C1(C)C	118868865	573434899	/nfs/dbraw/zinc/43/48/99/573434899.db2.gz	XQGNLCILXSHNDU-DLOVCJGASA-N	0	0	196.334	3.386	10	0		AGAERN
CC(C)[C@@H](c1ccc(N)cc1)C(F)F	107256356	573446544	/nfs/dbraw/zinc/44/65/44/573446544.db2.gz	ZBEXTQITYYEESA-JTQLQIEISA-N	0	0	199.244	3.274	10	0		AGAERN
COc1cccc2c1NC(C)(C)[C@H]2C	258361954	573457350	/nfs/dbraw/zinc/45/73/50/573457350.db2.gz	ZHHXWXNNDIVGEL-QMMMGPOBSA-N	0	0	191.274	3.003	10	0		AGAERN
COc1cccc2c1NC(C)(C)[C@@H]2C	258361952	573457578	/nfs/dbraw/zinc/45/75/78/573457578.db2.gz	ZHHXWXNNDIVGEL-MRVPVSSYSA-N	0	0	191.274	3.003	10	0		AGAERN
CCCc1ncc(Cl)n1C(C)C	258661824	573457777	/nfs/dbraw/zinc/45/77/77/573457777.db2.gz	XJDXFSYPGCDERH-UHFFFAOYSA-N	0	0	186.686	3.070	10	0		AGAERN
CC(=O)c1cccc2c1CCC[C@H]2F	107267205	573457917	/nfs/dbraw/zinc/45/79/17/573457917.db2.gz	IFCFRBPXIXYESW-GFCCVEGCSA-N	0	0	192.233	3.236	10	0		AGAERN
CCCC(=O)Cc1c(C)cccc1C	126281266	573468580	/nfs/dbraw/zinc/46/85/80/573468580.db2.gz	YLXNDAGFSVFKSX-UHFFFAOYSA-N	0	0	190.286	3.215	10	0		AGAERN
Nc1ccc([C@@H]2CCCC2(F)F)cc1	107277118	573467980	/nfs/dbraw/zinc/46/79/80/573467980.db2.gz	IRZGDPHCCWKMLO-JTQLQIEISA-N	0	0	197.228	3.172	10	0		AGAERN
CC(C)(C)[C@@H](F)c1ccc(O)cc1	107278518	573467994	/nfs/dbraw/zinc/46/79/94/573467994.db2.gz	LMMPBBHYRSVYCQ-JTQLQIEISA-N	0	0	182.238	3.449	10	0		AGAERN
Oc1ccc([C@H]2CCC(F)(F)C2)cc1	258035059	573468040	/nfs/dbraw/zinc/46/80/40/573468040.db2.gz	IVXLYTCDVDSMKL-VIFPVBQESA-N	0	0	198.212	3.295	10	0		AGAERN
CC(C)C[C@H](C)C[C@]1(O)C[C@H](C)[C@@H]1C	308592665	573468093	/nfs/dbraw/zinc/46/80/93/573468093.db2.gz	WKCMEXJIWNBMAW-CYDGBPFRSA-N	0	0	198.350	3.466	10	0		AGAERN
Cc1oc(=O)[nH]c1C1CCCCCC1	257820624	573468283	/nfs/dbraw/zinc/46/82/83/573468283.db2.gz	FSLJKVMYWYSQPL-UHFFFAOYSA-N	0	0	195.262	3.126	10	0		AGAERN
Nc1cccc([C@@H]2CCCC[C@H]2F)c1	107277587	573468301	/nfs/dbraw/zinc/46/83/01/573468301.db2.gz	LEAOTCGKORFFPL-NWDGAFQWSA-N	0	0	193.265	3.265	10	0		AGAERN
Nc1ccccc1[C@H]1CCCC[C@H]1F	107278053	573468321	/nfs/dbraw/zinc/46/83/21/573468321.db2.gz	KCVYFLYCAKRDJT-MWLCHTKSSA-N	0	0	193.265	3.265	10	0		AGAERN
COc1c(F)ccc2ccsc12	238409288	573468344	/nfs/dbraw/zinc/46/83/44/573468344.db2.gz	OAIKIYVFVWUMBB-UHFFFAOYSA-N	0	0	182.219	3.049	10	0		AGAERN
Oc1ccc([C@@H]2CCCC2(F)F)cc1	107278541	573468381	/nfs/dbraw/zinc/46/83/81/573468381.db2.gz	BHEIDINVSSEFHD-JTQLQIEISA-N	0	0	198.212	3.295	10	0		AGAERN
Nc1ccc([C@H]2CCCC[C@H]2F)cc1	107277149	573468408	/nfs/dbraw/zinc/46/84/08/573468408.db2.gz	CPYNRRKCJWQRNO-VXGBXAGGSA-N	0	0	193.265	3.265	10	0		AGAERN
C[C@@H]1CCC[C@@H](O)c2ccccc21	238409729	573468420	/nfs/dbraw/zinc/46/84/20/573468420.db2.gz	AUKXWMUFCNWEQB-BXKDBHETSA-N	0	0	176.259	3.007	10	0		AGAERN
Nc1cccc([C@H]2CCCC[C@@H]2F)c1	107277582	573468628	/nfs/dbraw/zinc/46/86/28/573468628.db2.gz	LEAOTCGKORFFPL-NEPJUHHUSA-N	0	0	193.265	3.265	10	0		AGAERN
Oc1ccc([C@H]2CCCC2(F)F)cc1	107278543	573468649	/nfs/dbraw/zinc/46/86/49/573468649.db2.gz	BHEIDINVSSEFHD-SNVBAGLBSA-N	0	0	198.212	3.295	10	0		AGAERN
Nc1ccc([C@@H]2CCCC[C@@H]2F)cc1	107277140	573468726	/nfs/dbraw/zinc/46/87/26/573468726.db2.gz	CPYNRRKCJWQRNO-RYUDHWBXSA-N	0	0	193.265	3.265	10	0		AGAERN
CC(C)[C@H](F)c1ccc(O)cc1	107278499	573468824	/nfs/dbraw/zinc/46/88/24/573468824.db2.gz	RLIBYNCAJWJMFR-JTQLQIEISA-N	0	0	168.211	3.059	10	0		AGAERN
CC(C)[C@H](F)c1cccc(O)c1	107278884	573468850	/nfs/dbraw/zinc/46/88/50/573468850.db2.gz	NXBMHMZALCVMSW-JTQLQIEISA-N	0	0	168.211	3.059	10	0		AGAERN
Nc1cccc([C@H]2CCCC2(F)F)c1	107277560	573468882	/nfs/dbraw/zinc/46/88/82/573468882.db2.gz	BVTXITKSIAHIRU-SNVBAGLBSA-N	0	0	197.228	3.172	10	0		AGAERN
Nc1ccc([C@H]2CCCC2(F)F)cc1	107277121	573469089	/nfs/dbraw/zinc/46/90/89/573469089.db2.gz	IRZGDPHCCWKMLO-SNVBAGLBSA-N	0	0	197.228	3.172	10	0		AGAERN
CC(C)C(F)(F)c1ccccc1N	107277977	573469106	/nfs/dbraw/zinc/46/91/06/573469106.db2.gz	KTTOOKIYJYFPJG-UHFFFAOYSA-N	0	0	185.217	3.017	10	0		AGAERN
CC(C)C(F)(F)c1cccc(N)c1	107277516	573469211	/nfs/dbraw/zinc/46/92/11/573469211.db2.gz	MKKKCRLQHIULHT-UHFFFAOYSA-N	0	0	185.217	3.017	10	0		AGAERN
Nc1ccccc1[C@@H]1CCCC[C@@H]1F	107278043	573469287	/nfs/dbraw/zinc/46/92/87/573469287.db2.gz	KCVYFLYCAKRDJT-ONGXEEELSA-N	0	0	193.265	3.265	10	0		AGAERN
CC(C)C(F)(F)c1ccc(O)cc1	107278496	573469354	/nfs/dbraw/zinc/46/93/54/573469354.db2.gz	KQBNMMGYKNMWCP-UHFFFAOYSA-N	0	0	186.201	3.140	10	0		AGAERN
Nc1ccc([C@@H]2CCCC[C@H]2F)cc1	107277146	573469364	/nfs/dbraw/zinc/46/93/64/573469364.db2.gz	CPYNRRKCJWQRNO-NWDGAFQWSA-N	0	0	193.265	3.265	10	0		AGAERN
CC(C)[C@@H](F)c1cccc(O)c1	107278887	573469496	/nfs/dbraw/zinc/46/94/96/573469496.db2.gz	NXBMHMZALCVMSW-SNVBAGLBSA-N	0	0	168.211	3.059	10	0		AGAERN
Oc1cccc([C@H]2CCC(F)(F)C2)c1	258037583	573469618	/nfs/dbraw/zinc/46/96/18/573469618.db2.gz	IZPWLVZPEFDLBG-VIFPVBQESA-N	0	0	198.212	3.295	10	0		AGAERN
CC(C)c1[nH+]cc2c(Cl)cccn12	258356339	573469642	/nfs/dbraw/zinc/46/96/42/573469642.db2.gz	RQGOICPLCLVQIM-UHFFFAOYSA-N	0	0	194.665	3.111	10	0		AGAERN
CC(C)(C)[C@H](F)c1cccc(N)c1	107277545	573469730	/nfs/dbraw/zinc/46/97/30/573469730.db2.gz	AYXMYXRGBYISHT-SNVBAGLBSA-N	0	0	181.254	3.326	10	0		AGAERN
CCC(F)(F)c1cccc(C(C)=O)c1	259612419	573469757	/nfs/dbraw/zinc/46/97/57/573469757.db2.gz	VRIPBLYYTHICSH-UHFFFAOYSA-N	0	0	198.212	3.391	10	0		AGAERN
CC(C)(C)[C@@H](F)c1ccc(N)cc1	107277100	573469784	/nfs/dbraw/zinc/46/97/84/573469784.db2.gz	VZQCLLUVTAMDTH-JTQLQIEISA-N	0	0	181.254	3.326	10	0		AGAERN
Nc1ccccc1[C@@H]1CCCC[C@H]1F	107278051	573470065	/nfs/dbraw/zinc/47/00/65/573470065.db2.gz	KCVYFLYCAKRDJT-GXSJLCMTSA-N	0	0	193.265	3.265	10	0		AGAERN
Nc1ccc(F)c2cccc(Cl)c12	258037532	573470112	/nfs/dbraw/zinc/47/01/12/573470112.db2.gz	IZEGNEFXMUHZKF-UHFFFAOYSA-N	0	0	195.624	3.215	10	0		AGAERN
Oc1cccc([C@@H]2CCC(F)(F)C2)c1	258037581	573470584	/nfs/dbraw/zinc/47/05/84/573470584.db2.gz	IZPWLVZPEFDLBG-SECBINFHSA-N	0	0	198.212	3.295	10	0		AGAERN
CCCCC[C@H](O)[C@H](C)/C=C/Cl	238238929	573472904	/nfs/dbraw/zinc/47/29/04/573472904.db2.gz	ZSIDCNMOGMSUPX-PSFRMBJNSA-N	0	0	190.714	3.316	10	0		AGAERN
CC(C)[C@H](F)c1cccc(C=O)c1	107281287	573472961	/nfs/dbraw/zinc/47/29/61/573472961.db2.gz	DYWMDHLUICHPMT-NSHDSACASA-N	0	0	180.222	3.166	10	0		AGAERN
CCC/C=C(\F)[C@@H](O)CCCC	238232537	573473063	/nfs/dbraw/zinc/47/30/63/573473063.db2.gz	NCKJQBXBZQMLCE-RNKPRXRFSA-N	0	0	174.259	3.191	10	0		AGAERN
CC(C)C(F)(F)c1ccc(C=O)cc1	107281158	573473170	/nfs/dbraw/zinc/47/31/70/573473170.db2.gz	UJXYECSCIACNJK-UHFFFAOYSA-N	0	0	198.212	3.247	10	0		AGAERN
CC(C)C(F)(F)c1ccccc1O	107279291	573473201	/nfs/dbraw/zinc/47/32/01/573473201.db2.gz	PLGFGXCFRIRXNC-UHFFFAOYSA-N	0	0	186.201	3.140	10	0		AGAERN
CC(C)[C@@H](F)c1ccc(C=O)cc1	107281162	573473216	/nfs/dbraw/zinc/47/32/16/573473216.db2.gz	DHHOMXWDWCXPHH-LLVKDONJSA-N	0	0	180.222	3.166	10	0		AGAERN
CC[C@@H](C)C[C@@H]1Cc2ccccc2N1	83389010	573473512	/nfs/dbraw/zinc/47/35/12/573473512.db2.gz	JMLJGVVZWUWKTI-ZYHUDNBSSA-N	0	0	189.302	3.459	10	0		AGAERN
Oc1cccc([C@H]2CCCC[C@@H]2F)c1	107278940	573473534	/nfs/dbraw/zinc/47/35/34/573473534.db2.gz	FZUHIJYVIJIAHE-NEPJUHHUSA-N	0	0	194.249	3.388	10	0		AGAERN
CC(C)C(F)(F)c1cccc(C=O)c1	107281283	573473546	/nfs/dbraw/zinc/47/35/46/573473546.db2.gz	KTPMXXNLRODBOZ-UHFFFAOYSA-N	0	0	198.212	3.247	10	0		AGAERN
Oc1ccccc1[C@@H]1CCCC1(F)F	107279323	573473573	/nfs/dbraw/zinc/47/35/73/573473573.db2.gz	BNXIRVTYOMCFIB-VIFPVBQESA-N	0	0	198.212	3.295	10	0		AGAERN
Fc1ccc2c(c1)[C@H](C1CCC1)CN2	236249617	573473621	/nfs/dbraw/zinc/47/36/21/573473621.db2.gz	UIRZWDIERSRANF-NSHDSACASA-N	0	0	191.249	3.135	10	0		AGAERN
CC(C)(C)[C@@H](F)c1ccccc1O	107279314	573473627	/nfs/dbraw/zinc/47/36/27/573473627.db2.gz	KKLZTHKAKRDQSQ-JTQLQIEISA-N	0	0	182.238	3.449	10	0		AGAERN
CC(C)[C@@H](F)c1ccccc1O	107279297	573473750	/nfs/dbraw/zinc/47/37/50/573473750.db2.gz	QYXAXFOBMJWRQC-SNVBAGLBSA-N	0	0	168.211	3.059	10	0		AGAERN
Oc1ccccc1[C@@H]1CCCC[C@@H]1F	107279340	573473769	/nfs/dbraw/zinc/47/37/69/573473769.db2.gz	NHRSNAFFZICCOT-ONGXEEELSA-N	0	0	194.249	3.388	10	0		AGAERN
Oc1cccc([C@H]2CCCC[C@H]2F)c1	107278948	573473797	/nfs/dbraw/zinc/47/37/97/573473797.db2.gz	FZUHIJYVIJIAHE-VXGBXAGGSA-N	0	0	194.249	3.388	10	0		AGAERN
CCCCC1(CCCC)C=C[C@@H](O)O1	238238069	573473799	/nfs/dbraw/zinc/47/37/99/573473799.db2.gz	ZHXRMYQWDIYYBH-NSHDSACASA-N	0	0	198.306	3.010	10	0		AGAERN
CCCC[C@H](O)/C=C1\C=CCCC1	238236864	573473848	/nfs/dbraw/zinc/47/38/48/573473848.db2.gz	UKDHEAVWAPQCCS-IIANPFDCSA-N	0	0	180.291	3.204	10	0		AGAERN
Oc1ccccc1[C@H]1CCCC1(F)F	107279326	573474028	/nfs/dbraw/zinc/47/40/28/573474028.db2.gz	BNXIRVTYOMCFIB-SECBINFHSA-N	0	0	198.212	3.295	10	0		AGAERN
Oc1ccccc1[C@H]1CCCC[C@H]1F	107279347	573474036	/nfs/dbraw/zinc/47/40/36/573474036.db2.gz	NHRSNAFFZICCOT-MWLCHTKSSA-N	0	0	194.249	3.388	10	0		AGAERN
Oc1ccccc1[C@@H]1CCCC[C@H]1F	107279345	573474077	/nfs/dbraw/zinc/47/40/77/573474077.db2.gz	NHRSNAFFZICCOT-GXSJLCMTSA-N	0	0	194.249	3.388	10	0		AGAERN
O=Cc1cccc(C(F)(F)C2CC2)c1	107281301	573474224	/nfs/dbraw/zinc/47/42/24/573474224.db2.gz	JPSVLGGCGMJFBD-UHFFFAOYSA-N	0	0	196.196	3.001	10	0		AGAERN
CC[C@H](C)C[C@H]1Cc2ccccc2N1	83389013	573474266	/nfs/dbraw/zinc/47/42/66/573474266.db2.gz	JMLJGVVZWUWKTI-JQWIXIFHSA-N	0	0	189.302	3.459	10	0		AGAERN
CC(C)[C@H](F)c1ccccc1O	107279294	573474347	/nfs/dbraw/zinc/47/43/47/573474347.db2.gz	QYXAXFOBMJWRQC-JTQLQIEISA-N	0	0	168.211	3.059	10	0		AGAERN
CC(C)CC[C@H]1Cc2ccccc2N1	83388973	573474408	/nfs/dbraw/zinc/47/44/08/573474408.db2.gz	QHYSNEBVFCGLGQ-LBPRGKRZSA-N	0	0	189.302	3.459	10	0		AGAERN
CC(C)(C)[C@H](F)c1cccc(O)c1	107278902	573474526	/nfs/dbraw/zinc/47/45/26/573474526.db2.gz	UXRFMPWROBPVNL-SNVBAGLBSA-N	0	0	182.238	3.449	10	0		AGAERN
Oc1cccc([C@@H]2CCCC[C@@H]2F)c1	107278937	573474541	/nfs/dbraw/zinc/47/45/41/573474541.db2.gz	FZUHIJYVIJIAHE-RYUDHWBXSA-N	0	0	194.249	3.388	10	0		AGAERN
CC[C@H](C)C[C@@H]1Cc2ccccc2N1	83389011	573474668	/nfs/dbraw/zinc/47/46/68/573474668.db2.gz	JMLJGVVZWUWKTI-CMPLNLGQSA-N	0	0	189.302	3.459	10	0		AGAERN
Oc1cccc([C@@H]2CCCC2(F)F)c1	107278919	573474743	/nfs/dbraw/zinc/47/47/43/573474743.db2.gz	ZCODAPXAPDIADV-JTQLQIEISA-N	0	0	198.212	3.295	10	0		AGAERN
COc1cccc2c(C)c(Cl)[nH]c12	258044949	573474810	/nfs/dbraw/zinc/47/48/10/573474810.db2.gz	UCYLUQMQZVMTGY-UHFFFAOYSA-N	0	0	195.649	3.138	10	0		AGAERN
Cc1cccc(N)c1NCCC(C)C	83341857	573474859	/nfs/dbraw/zinc/47/48/59/573474859.db2.gz	DMAKXHUUFNYRDC-UHFFFAOYSA-N	0	0	192.306	3.035	10	0		AGAERN
C[C@@H]1CC[C@](C)(c2ccc(O)cc2)C1	238411680	573475255	/nfs/dbraw/zinc/47/52/55/573475255.db2.gz	WUBGSFVREDWYDK-MFKMUULPSA-N	0	0	190.286	3.470	10	0		AGAERN
Fc1ccc2c(c1)[C@@H](C1CCC1)CN2	236251152	573475507	/nfs/dbraw/zinc/47/55/07/573475507.db2.gz	UIRZWDIERSRANF-LLVKDONJSA-N	0	0	191.249	3.135	10	0		AGAERN
C[C@@H]1CCC[C@@H]1[C@@H]1[C@@H](CCO)C1(C)C	238412369	573475628	/nfs/dbraw/zinc/47/56/28/573475628.db2.gz	LJWSJBHNPLYWQB-WRWGMCAJSA-N	0	0	196.334	3.077	10	0		AGAERN
CC(=O)c1cccc([C@H](F)C2CC2)c1	107281031	573475649	/nfs/dbraw/zinc/47/56/49/573475649.db2.gz	WKSLTRVEULNZQQ-GFCCVEGCSA-N	0	0	192.233	3.310	10	0		AGAERN
C[C@@H]1CCC[C@@H]1c1ccc(O)cc1	238412471	573475682	/nfs/dbraw/zinc/47/56/82/573475682.db2.gz	HMAKLZLLROYJHO-SKDRFNHKSA-N	0	0	176.259	3.296	10	0		AGAERN
Oc1ccccc1[C@H]1CCCC[C@@H]1F	107279342	573475745	/nfs/dbraw/zinc/47/57/45/573475745.db2.gz	NHRSNAFFZICCOT-KOLCDFICSA-N	0	0	194.249	3.388	10	0		AGAERN
Oc1cccc([C@@H]2CCCC[C@H]2F)c1	107278944	573475817	/nfs/dbraw/zinc/47/58/17/573475817.db2.gz	FZUHIJYVIJIAHE-NWDGAFQWSA-N	0	0	194.249	3.388	10	0		AGAERN
CC(=O)c1ccc([C@H](F)C2CC2)cc1	107280883	573475088	/nfs/dbraw/zinc/47/50/88/573475088.db2.gz	ORPVHBPBNNPFRG-LBPRGKRZSA-N	0	0	192.233	3.310	10	0		AGAERN
CC1=Cc2cccc3c(CO)ccc1c23	144939897	573479317	/nfs/dbraw/zinc/47/93/17/573479317.db2.gz	WNYFEPZXIUACAO-UHFFFAOYSA-N	0	0	196.249	3.206	10	0		AGAERN
C[C@@H]1CC[C@@]2(CC=CCC2)C(=O)C1	238414102	573479560	/nfs/dbraw/zinc/47/95/60/573479560.db2.gz	NTKQLLXPBSUBRF-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
CCCNc1nc2c(s1)CC[C@@H]2C	83389696	573479617	/nfs/dbraw/zinc/47/96/17/573479617.db2.gz	RYQAUUYFXRCDHY-ZETCQYMHSA-N	0	0	196.319	3.015	10	0		AGAERN
Cc1ccc2c(c1)oc1[nH]c(C=O)cc12	259469109	573479848	/nfs/dbraw/zinc/47/98/48/573479848.db2.gz	WPQMQOJSBDPJCV-UHFFFAOYSA-N	0	0	199.209	3.035	10	0		AGAERN
Cc1cccc2c1N[C@H](C)CC2(C)C	258046056	573485238	/nfs/dbraw/zinc/48/52/38/573485238.db2.gz	QRTSDEHLPPTFTD-SNVBAGLBSA-N	0	0	189.302	3.477	10	0		AGAERN
CCCCC[C@H](O)c1coc(C)c1	142890069	573485415	/nfs/dbraw/zinc/48/54/15/573485415.db2.gz	HHSGUUALIZOMSN-NSHDSACASA-N	0	0	182.263	3.202	10	0		AGAERN
Cc1c(O)cc2c(c1C)CC[C@@H](C)C2	238414921	573485435	/nfs/dbraw/zinc/48/54/35/573485435.db2.gz	ACDAJVRYEKMUJW-MRVPVSSYSA-N	0	0	190.286	3.134	10	0		AGAERN
Cc1cc(O)c(C)c2c1C[C@H](C)CC2	238415020	573485540	/nfs/dbraw/zinc/48/55/40/573485540.db2.gz	XLRJOGIEVVKOOP-MRVPVSSYSA-N	0	0	190.286	3.134	10	0		AGAERN
CP(C)C(=S)Nc1ccccc1	238414840	573485580	/nfs/dbraw/zinc/48/55/80/573485580.db2.gz	FTXJFMHXPUOPFO-UHFFFAOYSA-N	0	0	197.243	3.125	10	0		AGAERN
Cc1ncoc1-c1ccc(Cl)cc1	57489176	573485757	/nfs/dbraw/zinc/48/57/57/573485757.db2.gz	AXQPSEYTQPTFAZ-UHFFFAOYSA-N	0	0	193.633	3.303	10	0		AGAERN
CCC(CC)CNc1ccccc1N	130210133	573491142	/nfs/dbraw/zinc/49/11/42/573491142.db2.gz	OBBSNNRDEOHIGK-UHFFFAOYSA-N	0	0	192.306	3.117	10	0		AGAERN
Cc1cccc2c1NC(C)(C)[C@@H](C)C2	258038632	573491173	/nfs/dbraw/zinc/49/11/73/573491173.db2.gz	FCPDFHNTVOUQKV-JTQLQIEISA-N	0	0	189.302	3.378	10	0		AGAERN
Cc1cc2cc([C@@H](C)O)ccc2s1	258044256	573494084	/nfs/dbraw/zinc/49/40/84/573494084.db2.gz	KVCXJFFEIYVZSO-MRVPVSSYSA-N	0	0	192.283	3.263	10	0		AGAERN
C[C@@H]1CCC[C@@](O)(c2ccoc2)CC1	83434499	573499897	/nfs/dbraw/zinc/49/98/97/573499897.db2.gz	JHMTXGABLAFUIR-PWSUYJOCSA-N	0	0	194.274	3.067	10	0		AGAERN
CCC[C@@]1(O)CCC[C@H](C)CC1	83434510	573500078	/nfs/dbraw/zinc/50/00/78/573500078.db2.gz	CTKZXTFCDOVOQI-WDEREUQCSA-N	0	0	170.296	3.118	10	0		AGAERN
CNc1nc(CCC(C)C)c(C)s1	258706419	573500097	/nfs/dbraw/zinc/50/00/97/573500097.db2.gz	HNACPEDLLDNLCC-UHFFFAOYSA-N	0	0	198.335	3.082	10	0		AGAERN
CC(C)C[C@]1(O)CCC[C@@H](C)CC1	83434543	573500198	/nfs/dbraw/zinc/50/01/98/573500198.db2.gz	LCOORRILGRNFGX-NEPJUHHUSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)C[C@@]1(O)CCC[C@@H](C)CC1	83434541	573500264	/nfs/dbraw/zinc/50/02/64/573500264.db2.gz	LCOORRILGRNFGX-VXGBXAGGSA-N	0	0	184.323	3.364	10	0		AGAERN
CSc1cc(C)c(C)c([C@@H](C)O)c1	258047839	573500624	/nfs/dbraw/zinc/50/06/24/573500624.db2.gz	KKMMNCZXXOBBTJ-SECBINFHSA-N	0	0	196.315	3.079	10	0		AGAERN
CSc1cc(C)c(C)c([C@H](C)O)c1	258047843	573500738	/nfs/dbraw/zinc/50/07/38/573500738.db2.gz	KKMMNCZXXOBBTJ-VIFPVBQESA-N	0	0	196.315	3.079	10	0		AGAERN
C[C@H]1CCC[C@](O)(c2ccco2)CC1	83434522	573500838	/nfs/dbraw/zinc/50/08/38/573500838.db2.gz	DBILRYZBHVWNAA-CMPLNLGQSA-N	0	0	194.274	3.067	10	0		AGAERN
C[C@@H]1CCC[C@](O)(c2ccoc2)CC1	83434497	573500881	/nfs/dbraw/zinc/50/08/81/573500881.db2.gz	JHMTXGABLAFUIR-ZYHUDNBSSA-N	0	0	194.274	3.067	10	0		AGAERN
CCC[C@@]1(O)CCC[C@@H](C)CC1	83434512	573500964	/nfs/dbraw/zinc/50/09/64/573500964.db2.gz	CTKZXTFCDOVOQI-GHMZBOCLSA-N	0	0	170.296	3.118	10	0		AGAERN
CC(C)C[C@@]1(O)CCC[C@H](C)CC1	83434542	573501225	/nfs/dbraw/zinc/50/12/25/573501225.db2.gz	LCOORRILGRNFGX-NWDGAFQWSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H](C)[C@@](C)(O)c1csc(C)c1	83447531	573508780	/nfs/dbraw/zinc/50/87/80/573508780.db2.gz	FRRQVUDDAPNDFP-LDYMZIIASA-N	0	0	198.331	3.310	10	0		AGAERN
CC1=CCCC(C)(C)[C@]12C=C[C@@H](C)O2	6030611	573508879	/nfs/dbraw/zinc/50/88/79/573508879.db2.gz	BXVWNVFSJFBMTG-YPMHNXCESA-N	0	0	192.302	3.466	10	0		AGAERN
CCC(O)(CC)c1csc(C)c1	83447493	573508896	/nfs/dbraw/zinc/50/88/96/573508896.db2.gz	QCSRCHAYQAGBGK-UHFFFAOYSA-N	0	0	184.304	3.064	10	0		AGAERN
CC[C@@H](C)[C@](C)(O)c1ccsc1	83447534	573509027	/nfs/dbraw/zinc/50/90/27/573509027.db2.gz	HUZIDXSEVIDWGO-SCZZXKLOSA-N	0	0	184.304	3.002	10	0		AGAERN
CC[C@H]1CC[C@](O)(c2ccsc2)C1	83448798	573509094	/nfs/dbraw/zinc/50/90/94/573509094.db2.gz	DCSAOSQEXMSDSQ-GXSJLCMTSA-N	0	0	196.315	3.146	10	0		AGAERN
CCCn1ccc2cc(C)ccc21	75233495	573509116	/nfs/dbraw/zinc/50/91/16/573509116.db2.gz	SNQCQRKBVYIOIJ-UHFFFAOYSA-N	0	0	173.259	3.360	10	0		AGAERN
CC1CCC(O)(c2ccsc2)CC1	83447273	573509135	/nfs/dbraw/zinc/50/91/35/573509135.db2.gz	UHVKKKCWRVNORI-UHFFFAOYSA-N	0	0	196.315	3.146	10	0		AGAERN
CC[C@@H](C)C(=O)c1csc(C)c1	83450184	573509179	/nfs/dbraw/zinc/50/91/79/573509179.db2.gz	OOEQDXDCDPVBEK-SSDOTTSWSA-N	0	0	182.288	3.285	10	0		AGAERN
CC[C@@](O)(c1ccsc1)C(C)C	83447545	573509213	/nfs/dbraw/zinc/50/92/13/573509213.db2.gz	XKRJQYHXETUUPW-JTQLQIEISA-N	0	0	184.304	3.002	10	0		AGAERN
CC[C@@H](C)[C@@H](O)c1csc(C)c1	83448162	573509247	/nfs/dbraw/zinc/50/92/47/573509247.db2.gz	IIUHFQUAPIXYJG-GMSGAONNSA-N	0	0	184.304	3.136	10	0		AGAERN
C[C@H](O)C1=C(Cl)CCCCCC1	238421372	573509291	/nfs/dbraw/zinc/50/92/91/573509291.db2.gz	JJWCPSRYJRPRFZ-QMMMGPOBSA-N	0	0	188.698	3.214	10	0		AGAERN
Cc1cc([C@@]2(O)CCC[C@@H]2C)cs1	83448965	573509316	/nfs/dbraw/zinc/50/93/16/573509316.db2.gz	PMRZKEQHINZYTL-GZMMTYOYSA-N	0	0	196.315	3.064	10	0		AGAERN
Cc1cc([C@H](O)C2CCCC2)cs1	83448304	573509351	/nfs/dbraw/zinc/50/93/51/573509351.db2.gz	KVNDBPITHGNDEZ-LLVKDONJSA-N	0	0	196.315	3.280	10	0		AGAERN
CC(C)CC[C@]1(O)CCCC[C@H]1C	83502717	573531999	/nfs/dbraw/zinc/53/19/99/573531999.db2.gz	OXSRQFOFDCSVQP-VXGBXAGGSA-N	0	0	184.323	3.364	10	0		AGAERN
OC1(CC2CCCC2)CCCCC1	83502448	573532129	/nfs/dbraw/zinc/53/21/29/573532129.db2.gz	CGAOQQSYUBRSDN-UHFFFAOYSA-N	0	0	182.307	3.262	10	0		AGAERN
C[C@H](c1ccc(N)cc1)C(C)(C)C	238429427	573532204	/nfs/dbraw/zinc/53/22/04/573532204.db2.gz	FNCYNYXOTINTMO-SECBINFHSA-N	0	0	177.291	3.418	10	0		AGAERN
CCCC[C@]1(O)CCCC[C@@H]1C	83502663	573532229	/nfs/dbraw/zinc/53/22/29/573532229.db2.gz	AFSACNOVRUUHRN-QWRGUYRKSA-N	0	0	170.296	3.118	10	0		AGAERN
CC[C@]1(C)Nc2ccc(O)cc2[C@H]1C	258052262	573532332	/nfs/dbraw/zinc/53/23/32/573532332.db2.gz	FTOOTVWCLLNYQY-PELKAZGASA-N	0	0	191.274	3.090	10	0		AGAERN
CC(C)CC[C@@]1(O)CCC[C@@H](C)C1	83502526	573532333	/nfs/dbraw/zinc/53/23/33/573532333.db2.gz	HRJLHIOWROTNEH-NEPJUHHUSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H](CO)C1CCC(C(C)(C)C)CC1	33611142	573532354	/nfs/dbraw/zinc/53/23/54/573532354.db2.gz	OCNWZKPGWOZCDH-VOMCLLRMSA-N	0	0	198.350	3.467	10	0		AGAERN
CC(C)c1sc(N)nc1C(C)(C)C	257829127	573536731	/nfs/dbraw/zinc/53/67/31/573536731.db2.gz	GQUKLISVJKFTAW-UHFFFAOYSA-N	0	0	198.335	3.146	10	0		AGAERN
CCCC[C@]1(O)CCC[C@H](C)[C@@H]1C	83507158	573536779	/nfs/dbraw/zinc/53/67/79/573536779.db2.gz	MZSGIACOILBOMN-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H](c1ccccc1O)[Si](C)(C)C	238430630	573536794	/nfs/dbraw/zinc/53/67/94/573536794.db2.gz	ZWEZICXAEPQNDM-SECBINFHSA-N	0	0	194.350	3.373	10	0		AGAERN
CCCC[C@]1(O)CCC[C@@H](C)[C@@H]1C	83507160	573536963	/nfs/dbraw/zinc/53/69/63/573536963.db2.gz	MZSGIACOILBOMN-WOPDTQHZSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@]1(O)C[C@H](C)CC[C@@H]1C	83507310	573536975	/nfs/dbraw/zinc/53/69/75/573536975.db2.gz	LRIJGDJKPYJZQC-WOPDTQHZSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(=O)Sc1ccc(Cl)s1	259104212	573537000	/nfs/dbraw/zinc/53/70/00/573537000.db2.gz	AAMKZVNHDCFEKA-UHFFFAOYSA-N	0	0	192.692	3.040	10	0		AGAERN
C[C@@H]1CC[C@@](O)(CC2CCCC2)C1	83506865	573537001	/nfs/dbraw/zinc/53/70/01/573537001.db2.gz	OSAZDOIUOKQMOE-PWSUYJOCSA-N	0	0	182.307	3.118	10	0		AGAERN
CCCC[C@]1(O)CC[C@H](C)C[C@@H]1C	83507234	573537021	/nfs/dbraw/zinc/53/70/21/573537021.db2.gz	VPVWSWFMVUPHNQ-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H]1CCC[C@]1(O)CCC(C)(C)C	83507540	573537036	/nfs/dbraw/zinc/53/70/36/573537036.db2.gz	NRDNNOBEFDEEQP-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@H]1CC[C@](O)(CCC(C)(C)C)C1	83506783	573537067	/nfs/dbraw/zinc/53/70/67/573537067.db2.gz	FIMWQCWECCPWJG-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@H]1CC[C@](O)(CC2CCCC2)C1	83506864	573537304	/nfs/dbraw/zinc/53/73/04/573537304.db2.gz	OSAZDOIUOKQMOE-CMPLNLGQSA-N	0	0	182.307	3.118	10	0		AGAERN
O[C@@H](CC1CCCC1)[C@@H]1CC=CCC1	83505660	573537333	/nfs/dbraw/zinc/53/73/33/573537333.db2.gz	RAYUOYIQSINKBD-OLZOCXBDSA-N	0	0	194.318	3.284	10	0		AGAERN
CCCCC[C@]1(O)CC[C@H](C)C1	83506771	573537393	/nfs/dbraw/zinc/53/73/93/573537393.db2.gz	YBOHPMRWCOBUMW-QWRGUYRKSA-N	0	0	170.296	3.118	10	0		AGAERN
CC[C@H](CO)[C@@H](C)/C=C\C(C)(C)C	220582714	573537409	/nfs/dbraw/zinc/53/74/09/573537409.db2.gz	OGRJTCKRJLNYBS-MYEMAUTDSA-N	0	0	184.323	3.243	10	0		AGAERN
CC[C@@H](CO)[C@@H](C)/C=C/C(C)(C)C	220582654	573537489	/nfs/dbraw/zinc/53/74/89/573537489.db2.gz	OGRJTCKRJLNYBS-IJUHFESZSA-N	0	0	184.323	3.243	10	0		AGAERN
Cc1sc2ccccc2c1[C@H](C)O	238434024	573537498	/nfs/dbraw/zinc/53/74/98/573537498.db2.gz	VVZFTWGIQMKMNK-ZETCQYMHSA-N	0	0	192.283	3.263	10	0		AGAERN
Cc1ccc([C@H](O)CC2CCCC2)o1	83504570	573537629	/nfs/dbraw/zinc/53/76/29/573537629.db2.gz	QELRMSAYOWNSFG-LLVKDONJSA-N	0	0	194.274	3.202	10	0		AGAERN
C[C@H](c1ccccn1)[Si](C)(C)C	238430679	573537647	/nfs/dbraw/zinc/53/76/47/573537647.db2.gz	QHJMYQLXNVGGLS-SECBINFHSA-N	0	0	179.339	3.063	10	0		AGAERN
CCCC[C@]1(O)CC[C@H](C)[C@H](C)C1	83507082	573537664	/nfs/dbraw/zinc/53/76/64/573537664.db2.gz	UAIRUXLFQXHALE-TUAOUCFPSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCCC1(O)C[C@@H](C)C[C@H](C)C1	83507024	573537674	/nfs/dbraw/zinc/53/76/74/573537674.db2.gz	IICDTEZFYJRQAL-QWRGUYRKSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@H]1CC[C@](O)(CC2CCCC2)C1	83506863	573537695	/nfs/dbraw/zinc/53/76/95/573537695.db2.gz	OSAZDOIUOKQMOE-ZYHUDNBSSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@H]1CC[C@](O)(CCC(C)(C)C)C1	83506784	573537738	/nfs/dbraw/zinc/53/77/38/573537738.db2.gz	FIMWQCWECCPWJG-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@]1(O)C[C@@H](C)CC[C@@H]1C	83507312	573537772	/nfs/dbraw/zinc/53/77/72/573537772.db2.gz	LRIJGDJKPYJZQC-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
O[C@H](CC1CCCC1)[C@H]1CC=CCC1	83505659	573537871	/nfs/dbraw/zinc/53/78/71/573537871.db2.gz	RAYUOYIQSINKBD-QWHCGFSZSA-N	0	0	194.318	3.284	10	0		AGAERN
CCCC[C@]1(O)CC[C@@H](C)[C@H](C)C1	83507084	573537895	/nfs/dbraw/zinc/53/78/95/573537895.db2.gz	UAIRUXLFQXHALE-UTUOFQBUSA-N	0	0	184.323	3.364	10	0		AGAERN
O[C@@H](CC1CCCC1)[C@H]1CC=CCC1	83505658	573537910	/nfs/dbraw/zinc/53/79/10/573537910.db2.gz	RAYUOYIQSINKBD-STQMWFEESA-N	0	0	194.318	3.284	10	0		AGAERN
Cc1ccc([C@@H](O)CC2CCCC2)o1	83504571	573537936	/nfs/dbraw/zinc/53/79/36/573537936.db2.gz	QELRMSAYOWNSFG-NSHDSACASA-N	0	0	194.274	3.202	10	0		AGAERN
O[C@H](CC1CCCC1)[C@@H]1CC=CCC1	83505661	573538089	/nfs/dbraw/zinc/53/80/89/573538089.db2.gz	RAYUOYIQSINKBD-CHWSQXEVSA-N	0	0	194.318	3.284	10	0		AGAERN
Cc1ccc([C@H](C)F)cc1[C@@H](C)CO	258056489	573538099	/nfs/dbraw/zinc/53/80/99/573538099.db2.gz	LCYPFLSYIKIRFX-UWVGGRQHSA-N	0	0	196.265	3.121	10	0		AGAERN
C[C@H]1CCC[C@@]1(O)CCC(C)(C)C	83507542	573538140	/nfs/dbraw/zinc/53/81/40/573538140.db2.gz	NRDNNOBEFDEEQP-CMPLNLGQSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCC[C@]1(O)CC[C@@H](C)C[C@@H]1C	83507236	573538168	/nfs/dbraw/zinc/53/81/68/573538168.db2.gz	VPVWSWFMVUPHNQ-WOPDTQHZSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@H]1CCC[C@]1(O)CCC(C)(C)C	83507539	573538222	/nfs/dbraw/zinc/53/82/22/573538222.db2.gz	NRDNNOBEFDEEQP-PWSUYJOCSA-N	0	0	184.323	3.364	10	0		AGAERN
C[C@@H]1CCC[C@@]1(O)CCC(C)(C)C	83507541	573538228	/nfs/dbraw/zinc/53/82/28/573538228.db2.gz	NRDNNOBEFDEEQP-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCc1coc(NCCC(C)C)n1	308619558	573546233	/nfs/dbraw/zinc/54/62/33/573546233.db2.gz	SOTOGONFWLSOED-UHFFFAOYSA-N	0	0	196.294	3.085	10	0		AGAERN
CCC/C=C\[C@H](O)c1ccc(C)cc1	308626655	573546272	/nfs/dbraw/zinc/54/62/72/573546272.db2.gz	MZAQEACLDOBIMZ-SZZPACECSA-N	0	0	190.286	3.385	10	0		AGAERN
CC/C=C\CC[C@H](O)c1ccccc1	308619222	573546334	/nfs/dbraw/zinc/54/63/34/573546334.db2.gz	CYUJRJAYHYHLQX-SCOBNMCVSA-N	0	0	190.286	3.466	10	0		AGAERN
CC1(C)CC=CCCCCC=C[C@@H]1O	308627377	573546389	/nfs/dbraw/zinc/54/63/89/573546389.db2.gz	OQKOTJQDWSTWJI-LBPRGKRZSA-N	0	0	194.318	3.450	10	0		AGAERN
CC[C@H](C)Nc1cccc(C(C)=O)c1	86662618	573546587	/nfs/dbraw/zinc/54/65/87/573546587.db2.gz	UCPZTYMEFFNBAV-VIFPVBQESA-N	0	0	191.274	3.100	10	0		AGAERN
CC[C@@H]1CCC[C@@H](C2=C[C@H](O)CC2)C1	83549144	573546677	/nfs/dbraw/zinc/54/66/77/573546677.db2.gz	CILRUHAJDJMXRZ-NQBHXWOUSA-N	0	0	194.318	3.284	10	0		AGAERN
CCC1CCC(C2=C[C@H](O)CC2)CC1	83548851	573546827	/nfs/dbraw/zinc/54/68/27/573546827.db2.gz	KWLXEBBQADBNJG-GCZXYKMCSA-N	0	0	194.318	3.284	10	0		AGAERN
CC(=O)c1ccc([C@H]2C[C@H]2C)cc1	238437347	573549685	/nfs/dbraw/zinc/54/96/85/573549685.db2.gz	PAVMDVMCJXKIAG-PELKAZGASA-N	0	0	174.243	3.013	10	0		AGAERN
CC[C@H](/C=C\c1ccccc1)CCO	308627736	573549718	/nfs/dbraw/zinc/54/97/18/573549718.db2.gz	PAAVXCMEMOLWPU-JLVNDZCYSA-N	0	0	190.286	3.108	10	0		AGAERN
CCC[C@H](CC(C)=O)C(C)C	238263331	573549750	/nfs/dbraw/zinc/54/97/50/573549750.db2.gz	BKGSJAFZHVEDTI-SNVBAGLBSA-N	0	0	156.269	3.038	10	0		AGAERN
C[C@@H](O)/C=C/C=C\C1=CCCCCC1	308627743	573549984	/nfs/dbraw/zinc/54/99/84/573549984.db2.gz	PASIFRBDXLCRMZ-GQOCIUNSSA-N	0	0	192.302	3.370	10	0		AGAERN
CC(=O)C[C@H]1CC[C@@H](C)C1(C)C	95627333	573549986	/nfs/dbraw/zinc/54/99/86/573549986.db2.gz	UEQZGOCRHKUAQT-PSASIEDQSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@H]1CCC[C@@](O)(C2=CCCCC2)C1	235616655	573554744	/nfs/dbraw/zinc/55/47/44/573554744.db2.gz	KOCBNGDXVYYKLR-AAEUAGOBSA-N	0	0	194.318	3.428	10	0		AGAERN
C/C(=C/c1ccccc1)[C@@H](C)[C@H](C)O	308619794	573554840	/nfs/dbraw/zinc/55/48/40/573554840.db2.gz	DEURSJDJCDHPES-CYRCAWSMSA-N	0	0	190.286	3.107	10	0		AGAERN
Cc1ccc([C@H](C)O)c(Cl)c1C	238438792	573554909	/nfs/dbraw/zinc/55/49/09/573554909.db2.gz	IWAVUDVTSHBSTM-QMMMGPOBSA-N	0	0	184.666	3.010	10	0		AGAERN
Cc1csc2cc(C(C)C)c(N)n12	75395913	573555052	/nfs/dbraw/zinc/55/50/52/573555052.db2.gz	XWOOXMIDJLTVHX-UHFFFAOYSA-N	0	0	194.303	3.015	10	0		AGAERN
Cc1c(N)cc(C)c2sccc12	75397098	573555258	/nfs/dbraw/zinc/55/52/58/573555258.db2.gz	YGSDDYXQVVXCBT-UHFFFAOYSA-N	0	0	177.272	3.100	10	0		AGAERN
Cc1ccc(Oc2ccc(C)cn2)cc1	145621641	573560306	/nfs/dbraw/zinc/56/03/06/573560306.db2.gz	DPNAXERVNHQNCD-UHFFFAOYSA-N	0	0	199.253	3.491	10	0		AGAERN
CC1=CC(C)(C)[C@@H](C/C=C/[C@H](C)O)C1	238432994	573565555	/nfs/dbraw/zinc/56/55/55/573565555.db2.gz	WTXYIFRGJKGBCI-WTIVYXKASA-N	0	0	194.318	3.306	10	0		AGAERN
CC[C@@H]1CCNc2c(OC)cccc21	257831611	573565886	/nfs/dbraw/zinc/56/58/86/573565886.db2.gz	JNAAHVYPUXWUNA-SECBINFHSA-N	0	0	191.274	3.004	10	0		AGAERN
CC1=CC(C)(C)[C@H]([C@@H](C)O)CC1(C)C	238432999	573565985	/nfs/dbraw/zinc/56/59/85/573565985.db2.gz	RWMIGWRJHGJHHN-MNOVXSKESA-N	0	0	196.334	3.386	10	0		AGAERN
Cc1ccc(/C=C(\CO)C(C)C)cc1	211918106	573568374	/nfs/dbraw/zinc/56/83/74/573568374.db2.gz	RWERVTUJIHTZJT-MDWZMJQESA-N	0	0	190.286	3.027	10	0		AGAERN
CC1=CCC[C@]2(C)C[C@@H](O)CCC=C12	224339148	573568545	/nfs/dbraw/zinc/56/85/45/573568545.db2.gz	ZSFWAMVNVGGENM-WCQYABFASA-N	0	0	192.302	3.204	10	0		AGAERN
CC(C)c1ccc(-c2ccno2)cc1	83618024	573568733	/nfs/dbraw/zinc/56/87/33/573568733.db2.gz	GRPYIEMRRCNKLF-UHFFFAOYSA-N	0	0	187.242	3.465	10	0		AGAERN
Cc1cc(C)c(-c2ccno2)c(C)c1	83618003	573568878	/nfs/dbraw/zinc/56/88/78/573568878.db2.gz	MKQFKDDQPDGNTQ-UHFFFAOYSA-N	0	0	187.242	3.267	10	0		AGAERN
C/C(=C/[C@@H]1C[C@@H](C)CC(C)(C)C1)CO	238433556	573569895	/nfs/dbraw/zinc/56/98/95/573569895.db2.gz	RPJMNVCFBIXDSG-KGYXVEPJSA-N	0	0	196.334	3.387	10	0		AGAERN
CCC[C@H](O)/C=C(\C)c1ccccc1	308624245	573570019	/nfs/dbraw/zinc/57/00/19/573570019.db2.gz	IWIFSHKQJXVUPV-NHAQELONSA-N	0	0	190.286	3.251	10	0		AGAERN
CC[C@H](C)Nc1ccc(Cl)c(N)c1	86687369	573573880	/nfs/dbraw/zinc/57/38/80/573573880.db2.gz	PSNITKRGOUVBFZ-ZETCQYMHSA-N	0	0	198.697	3.133	10	0		AGAERN
Cc1cc(F)cc([C@H](O)CC(C)C)c1	86692757	573576926	/nfs/dbraw/zinc/57/69/26/573576926.db2.gz	MZSYOUGTDOOKST-GFCCVEGCSA-N	0	0	196.265	3.214	10	0		AGAERN
C[C@@H]1CCC(=O)C[C@H]2CCC=C1C2	238433629	573573273	/nfs/dbraw/zinc/57/32/73/573573273.db2.gz	HGRMQEVOJXQOSR-ZJUUUORDSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(=O)[C@]12CC=C(C)C[C@@]1(C)CC2	197411429	573573274	/nfs/dbraw/zinc/57/32/74/573573274.db2.gz	ZCIMTIHMEQSMGM-VXGBXAGGSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(=O)[C@@]12CC=C(C)C[C@@]1(C)CC2	197411442	573573368	/nfs/dbraw/zinc/57/33/68/573573368.db2.gz	ZCIMTIHMEQSMGM-NEPJUHHUSA-N	0	0	178.275	3.102	10	0		AGAERN
C=C=C1CCCCCC[C@H]1[C@@H](C)O	238433711	573573431	/nfs/dbraw/zinc/57/34/31/573573431.db2.gz	GJZJFANOGBAWHN-PWSUYJOCSA-N	0	0	180.291	3.049	10	0		AGAERN
C=C/C=C\CC[C@@H](O)c1ccccc1	308634470	573573723	/nfs/dbraw/zinc/57/37/23/573573723.db2.gz	XJYZEGDHGQYEHE-DHCBQETCSA-N	0	0	188.270	3.242	10	0		AGAERN
Cc1[nH]c(=O)oc1C1CCCCCC1	257832490	573573748	/nfs/dbraw/zinc/57/37/48/573573748.db2.gz	JVJHDWSPPXLACW-UHFFFAOYSA-N	0	0	195.262	3.126	10	0		AGAERN
C[C@@H](O)C/C=C/C=C\c1ccccc1	308635997	573577098	/nfs/dbraw/zinc/57/70/98/573577098.db2.gz	YWRYQVSNLVNFLU-DBUCBTRUSA-N	0	0	188.270	3.027	10	0		AGAERN
C[C@H](O)c1coc2cc(Cl)ccc12	238444671	573577161	/nfs/dbraw/zinc/57/71/61/573577161.db2.gz	TZYZDTSCVXVEHJ-LURJTMIESA-N	0	0	196.633	3.140	10	0		AGAERN
CC(C)=CCc1cc(O)ccc1F	144322817	573577170	/nfs/dbraw/zinc/57/71/70/573577170.db2.gz	VKSLYLDMOQWKMB-UHFFFAOYSA-N	0	0	180.222	3.040	10	0		AGAERN
CC[C@H](C)[C@@H](O)c1cc(C)cc(F)c1	86692744	573577246	/nfs/dbraw/zinc/57/72/46/573577246.db2.gz	AZAULLSKQMXJOX-JOYOIKCWSA-N	0	0	196.265	3.214	10	0		AGAERN
Cc1cc(F)cc(C(=O)C2CCC2)c1	86693003	573577270	/nfs/dbraw/zinc/57/72/70/573577270.db2.gz	SXBDLBVZQGEAAF-UHFFFAOYSA-N	0	0	192.233	3.117	10	0		AGAERN
CC(C)Cc1cccc(F)c1	145283186	573577343	/nfs/dbraw/zinc/57/73/43/573577343.db2.gz	AGZHULUVYPVIFU-UHFFFAOYSA-N	0	0	152.212	3.024	10	0		AGAERN
Cc1cc(C)c2c(c1)[C@@H](C)CC[C@@H]2O	238445192	573577364	/nfs/dbraw/zinc/57/73/64/573577364.db2.gz	ACXDPHYJMLOGTF-CABZTGNLSA-N	0	0	190.286	3.234	10	0		AGAERN
CC[C@H](CO)C/C=C\c1ccccc1	308635793	573577378	/nfs/dbraw/zinc/57/73/78/573577378.db2.gz	YMEWRQUNWSHYGQ-GYGFLDJKSA-N	0	0	190.286	3.108	10	0		AGAERN
C/C=C/C=C/C=C\CCC/C=C/CO	308636068	573577405	/nfs/dbraw/zinc/57/74/05/573577405.db2.gz	ZAIHCIPLWOAYJA-UAZGWUIFSA-N	0	0	192.302	3.394	10	0		AGAERN
CC1=C[C@]2(CC1)C(=O)CCC[C@H]2C	238444631	573577435	/nfs/dbraw/zinc/57/74/35/573577435.db2.gz	LGLDUYIWEYSASE-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
C/C=C/C=C/C=C/CCC/C=C\CO	308636069	573577543	/nfs/dbraw/zinc/57/75/43/573577543.db2.gz	ZAIHCIPLWOAYJA-VSYKRLPMSA-N	0	0	192.302	3.394	10	0		AGAERN
Nc1csc2c3c(sc12)CCC3	75465409	573577614	/nfs/dbraw/zinc/57/76/14/573577614.db2.gz	NEAXFKDLNXYNAB-UHFFFAOYSA-N	0	0	195.312	3.034	10	0		AGAERN
CSc1ccc(CC2CCCC2)[nH]1	75469419	573584230	/nfs/dbraw/zinc/58/42/30/573584230.db2.gz	KRXIQMYPWIHLGR-UHFFFAOYSA-N	0	0	195.331	3.469	10	0		AGAERN
CC(C)[C@H]1c2ccccc2C(=O)[C@@H]1C	86718018	573583745	/nfs/dbraw/zinc/58/37/45/573583745.db2.gz	XMRLHGYJJRSNTF-BXKDBHETSA-N	0	0	188.270	3.259	10	0		AGAERN
CC[C@H]1c2ccc(C)cc2C(=O)[C@H]1C	86717954	573584202	/nfs/dbraw/zinc/58/42/02/573584202.db2.gz	GWYVIVMAEFXPJA-VHSXEESVSA-N	0	0	188.270	3.321	10	0		AGAERN
Nc1csc(CC2CCCC2)c1	75468346	573585923	/nfs/dbraw/zinc/58/59/23/573585923.db2.gz	AZUFDGPYCCUYKD-UHFFFAOYSA-N	0	0	181.304	3.063	10	0		AGAERN
O=C1CC[C@]12CCCC21CCCC1	144430669	573586078	/nfs/dbraw/zinc/58/60/78/573586078.db2.gz	PDKOTSPUBLWIKU-GFCCVEGCSA-N	0	0	178.275	3.080	10	0		AGAERN
CC(=O)c1cccc2c1[C@H](C)[C@@H]2C	238442488	573586091	/nfs/dbraw/zinc/58/60/91/573586091.db2.gz	GKBKAAGQSVOEDO-JGVFFNPUSA-N	0	0	174.243	3.110	10	0		AGAERN
C[C@@H](O)[C@]12CCCC=C1CCCC2	238442331	573586118	/nfs/dbraw/zinc/58/61/18/573586118.db2.gz	RHCFOPXAVBWDDU-ZYHUDNBSSA-N	0	0	180.291	3.038	10	0		AGAERN
C[C@H](O)c1cccc2cccc(F)c12	238441670	573586123	/nfs/dbraw/zinc/58/61/23/573586123.db2.gz	XEMMBPPVKUYCKO-QMMMGPOBSA-N	0	0	190.217	3.032	10	0		AGAERN
C[C@@H]1CCC=C2CCCC(=O)[C@]21C	238442546	573586136	/nfs/dbraw/zinc/58/61/36/573586136.db2.gz	VHLUTMKYFHULOO-SKDRFNHKSA-N	0	0	178.275	3.102	10	0		AGAERN
CCc1ccc2c(c1)C(=O)[C@@H](C)[C@H]2C	86718027	573586485	/nfs/dbraw/zinc/58/64/85/573586485.db2.gz	BYVFDEURUKCQAT-BDAKNGLRSA-N	0	0	188.270	3.185	10	0		AGAERN
CC[C@@H]1c2ccc(C)cc2C(=O)[C@@H]1C	86717949	573586496	/nfs/dbraw/zinc/58/64/96/573586496.db2.gz	GWYVIVMAEFXPJA-ZJUUUORDSA-N	0	0	188.270	3.321	10	0		AGAERN
Cc1cccc2cccc([C@H](C)O)c12	238441654	573586509	/nfs/dbraw/zinc/58/65/09/573586509.db2.gz	MKLDRFKUCXGLNE-JTQLQIEISA-N	0	0	186.254	3.202	10	0		AGAERN
CC(C)[C@H]1c2ccccc2C(=O)[C@H]1C	86718019	573587302	/nfs/dbraw/zinc/58/73/02/573587302.db2.gz	XMRLHGYJJRSNTF-JOYOIKCWSA-N	0	0	188.270	3.259	10	0		AGAERN
CC(C)=Cc1ccccc1[C@H](C)O	238441816	573587470	/nfs/dbraw/zinc/58/74/70/573587470.db2.gz	LIGZCLMISXXVQR-JTQLQIEISA-N	0	0	176.259	3.163	10	0		AGAERN
C/C=C\CNc1cccc(OCC)c1	308404119	573587475	/nfs/dbraw/zinc/58/74/75/573587475.db2.gz	IIVZUXGLSPBGBL-HYXAFXHYSA-N	0	0	191.274	3.073	10	0		AGAERN
Cc1c[nH]c2c1ccc1cnccc12	238442646	573587530	/nfs/dbraw/zinc/58/75/30/573587530.db2.gz	VXPOAHFWCGYAJD-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
CSc1cc(N)c(CC2CC2)s1	75490643	573587594	/nfs/dbraw/zinc/58/75/94/573587594.db2.gz	AIMOGEJYQVHYLC-UHFFFAOYSA-N	0	0	199.344	3.005	10	0		AGAERN
CC[C@@H]1c2ccc(C)cc2[C@H](O)[C@@H]1C	86721732	573587975	/nfs/dbraw/zinc/58/79/75/573587975.db2.gz	WETJYCDXAUMETL-GBIKHYSHSA-N	0	0	190.286	3.172	10	0		AGAERN
CC[C@@H]1c2ccccc2C(=O)[C@H]1C	86718207	573588032	/nfs/dbraw/zinc/58/80/32/573588032.db2.gz	CLLJPYJRAFBDON-IUCAKERBSA-N	0	0	174.243	3.013	10	0		AGAERN
CC[C@@H]1c2ccc(F)cc2[C@@H](O)[C@@H]1C	86721975	573588094	/nfs/dbraw/zinc/58/80/94/573588094.db2.gz	ZCRDPPWMFKHIMX-FDOIEUKUSA-N	0	0	194.249	3.002	10	0		AGAERN
CCC[C@@H]1c2ccccc2C(=O)[C@H]1C	86718289	573590346	/nfs/dbraw/zinc/59/03/46/573590346.db2.gz	JCMWOUJHZDYTNH-UWVGGRQHSA-N	0	0	188.270	3.403	10	0		AGAERN
CC(C)c1ccc2c(c1)[C@H](O)[C@H](C)C2	86722112	573590488	/nfs/dbraw/zinc/59/04/88/573590488.db2.gz	WJBRQBFLSMXHFV-NOZJJQNGSA-N	0	0	190.286	3.036	10	0		AGAERN
CC(C)c1ccc2c(c1)[C@@H](O)[C@H](C)C2	86722119	573590569	/nfs/dbraw/zinc/59/05/69/573590569.db2.gz	WJBRQBFLSMXHFV-RNCFNFMXSA-N	0	0	190.286	3.036	10	0		AGAERN
Cc1ccc(C)c2c1C(=O)[C@@H](C)[C@@H]2C	86718324	573590622	/nfs/dbraw/zinc/59/06/22/573590622.db2.gz	JXRSVWUWVNRRJO-UWVGGRQHSA-N	0	0	188.270	3.239	10	0		AGAERN
Cc1cc(C(=O)C(C)C)cc(C)c1F	83685085	573590660	/nfs/dbraw/zinc/59/06/60/573590660.db2.gz	FJQQJIQRIDCMGW-UHFFFAOYSA-N	0	0	194.249	3.281	10	0		AGAERN
CC[C@H]1c2ccc(F)cc2C(=O)[C@@H]1C	86718302	573590669	/nfs/dbraw/zinc/59/06/69/573590669.db2.gz	GWXZWVNQZBJDCS-VXNVDRBHSA-N	0	0	192.233	3.152	10	0		AGAERN
Cc1cc(C)c2c(c1)C(=O)[C@@H](C)[C@H]2C	86718198	573590773	/nfs/dbraw/zinc/59/07/73/573590773.db2.gz	WRDJFXYCAFXCCM-ZJUUUORDSA-N	0	0	188.270	3.239	10	0		AGAERN
Cc1ccc(C)c2c1[C@@H](O)[C@H](C)[C@H]2C	86721546	573590797	/nfs/dbraw/zinc/59/07/97/573590797.db2.gz	BBQTUSXYIIICSQ-BREBYQMCSA-N	0	0	190.286	3.090	10	0		AGAERN
Cc1cc(C)c2c(c1)[C@H](O)[C@H](C)[C@@H]2C	86721838	573590841	/nfs/dbraw/zinc/59/08/41/573590841.db2.gz	MVARDCWBDPZKHJ-OPQQBVKSSA-N	0	0	190.286	3.090	10	0		AGAERN
Cc1ccc(C)c2c1C(=O)[C@H](C)[C@H]2C	86718325	573590888	/nfs/dbraw/zinc/59/08/88/573590888.db2.gz	JXRSVWUWVNRRJO-NXEZZACHSA-N	0	0	188.270	3.239	10	0		AGAERN
Cc1cc([C@@H](O)C(C)C)cc(C)c1F	83685331	573592668	/nfs/dbraw/zinc/59/26/68/573592668.db2.gz	DFTOSEQFLNNVJK-LBPRGKRZSA-N	0	0	196.265	3.132	10	0		AGAERN
CCCc1cc(CCC)c(C)[nH]1	238275930	573592108	/nfs/dbraw/zinc/59/21/08/573592108.db2.gz	JQQPARNPANLHPF-UHFFFAOYSA-N	0	0	165.280	3.228	10	0		AGAERN
CC(C)=C/C=C/C=C(/C)[C@H](C)[C@@H](C)O	308632813	573594020	/nfs/dbraw/zinc/59/40/20/573594020.db2.gz	WKIIPZXEEWYDJA-UQSJJDJZSA-N	0	0	194.318	3.472	10	0		AGAERN
CC[C@H](C)c1ccccc1CCCO	308632861	573594104	/nfs/dbraw/zinc/59/41/04/573594104.db2.gz	WOZJYUBGYWVTFZ-NSHDSACASA-N	0	0	192.302	3.125	10	0		AGAERN
CCCC(=O)c1cc(C)c(F)cc1F	86723123	573594377	/nfs/dbraw/zinc/59/43/77/573594377.db2.gz	VWHOKZUPKJEPQT-UHFFFAOYSA-N	0	0	198.212	3.256	10	0		AGAERN
CC/C=C(\C)CC(=O)CCC	146192968	573594551	/nfs/dbraw/zinc/59/45/51/573594551.db2.gz	ZUFPQDWRSDXDAS-RMKNXTFCSA-N	0	0	154.253	3.102	10	0		AGAERN
C[C@H]1[C@@H](C)c2ccc(O)cc2C1(C)C	238455584	573594578	/nfs/dbraw/zinc/59/45/78/573594578.db2.gz	GZLBBWRGVQPPCK-BDAKNGLRSA-N	0	0	190.286	3.423	10	0		AGAERN
C[C@@H]1CCC(=O)[C@@H](CCCCF)C1	393540214	573598311	/nfs/dbraw/zinc/59/83/11/573598311.db2.gz	WHRGHVYBUXKZMM-ZJUUUORDSA-N	0	0	186.270	3.132	10	0		AGAERN
Clc1cc(-c2ccccc2)ns1	107431905	573598537	/nfs/dbraw/zinc/59/85/37/573598537.db2.gz	VDGIREWSOXFJND-UHFFFAOYSA-N	0	0	195.674	3.464	10	0		AGAERN
C[C@H]1C[C@H]1C(=O)CC1=CCCCC1	238446860	573602225	/nfs/dbraw/zinc/60/22/25/573602225.db2.gz	FCHBQFJCFDSMJG-GXSJLCMTSA-N	0	0	178.275	3.102	10	0		AGAERN
Oc1ccccc1[C@@H](CF)C1CCC1	259525368	573602417	/nfs/dbraw/zinc/60/24/17/573602417.db2.gz	APSJTQBHUIYWQB-NSHDSACASA-N	0	0	194.249	3.245	10	0		AGAERN
CC1=NC(=S)NC1C1CCCCC1	258502620	573602425	/nfs/dbraw/zinc/60/24/25/573602425.db2.gz	FCGIZESWHIJDED-UHFFFAOYSA-N	0	0	196.319	3.055	10	0		AGAERN
C[C@@H]1CCCC/C(=C\CO)C1(C)C	238446571	573602481	/nfs/dbraw/zinc/60/24/81/573602481.db2.gz	JHNCAYNERGILQL-MXBGMFSPSA-N	0	0	182.307	3.141	10	0		AGAERN
Cc1ccc(C)c(SC(C)(C)[NH3+])c1	259140771	573602508	/nfs/dbraw/zinc/60/25/08/573602508.db2.gz	DSYISZSGDJFXAB-UHFFFAOYSA-N	0	0	195.331	3.090	10	0		AGAERN
Oc1ccccc1[C@H]1CC[C@@H]1C(F)F	257836869	573602610	/nfs/dbraw/zinc/60/26/10/573602610.db2.gz	APUUNYYDOULZSP-APPZFPTMSA-N	0	0	198.212	3.151	10	0		AGAERN
Cc1cc([C@H](C)C[C@H](C)O)c(C)s1	238446690	573602622	/nfs/dbraw/zinc/60/26/22/573602622.db2.gz	ZPWRGBRYDQTPMC-SFYZADRCSA-N	0	0	198.331	3.239	10	0		AGAERN
CC1=C(/C=C/CCO)[C@H](C)CCC1	238446181	573602643	/nfs/dbraw/zinc/60/26/43/573602643.db2.gz	ZXWCXXUSTSSQSB-SIUBYYJGSA-N	0	0	180.291	3.062	10	0		AGAERN
CCc1[nH]c2c(F)cccc2c1C	83728735	573607243	/nfs/dbraw/zinc/60/72/43/573607243.db2.gz	OMKCBMYMXSOWRE-UHFFFAOYSA-N	0	0	177.222	3.178	10	0		AGAERN
CC(C)=C1CCCC[C@H]1C[C@H](C)O	238447985	573607325	/nfs/dbraw/zinc/60/73/25/573607325.db2.gz	CKZLVNINSDLVQC-QWRGUYRKSA-N	0	0	182.307	3.284	10	0		AGAERN
Cc1cccc2c1cc(C=O)n2C1CC1	257836947	573607355	/nfs/dbraw/zinc/60/73/55/573607355.db2.gz	ARMGIAKNJVEJCM-UHFFFAOYSA-N	0	0	199.253	3.097	10	0		AGAERN
C=C=CCc1[nH]c2ccccc2c1C	238447790	573607386	/nfs/dbraw/zinc/60/73/86/573607386.db2.gz	WQPJJXNGWHIVGM-UHFFFAOYSA-N	0	0	183.254	3.360	10	0		AGAERN
O=Cc1c[nH]c2cc3ccccc3cc12	238686665	573610085	/nfs/dbraw/zinc/61/00/85/573610085.db2.gz	QSEBKUHZNHZCHN-UHFFFAOYSA-N	0	0	195.221	3.134	10	0		AGAERN
CCc1cc(CC)c2ccccc2n1	96334256	573610306	/nfs/dbraw/zinc/61/03/06/573610306.db2.gz	GDBOWGDEXZGFQM-UHFFFAOYSA-N	0	0	185.270	3.360	10	0		AGAERN
C[C@@H]1CC[C@]2(CC=CCC2)C(=O)C1	238447588	573610374	/nfs/dbraw/zinc/61/03/74/573610374.db2.gz	NTKQLLXPBSUBRF-ZYHUDNBSSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@H]1CC[C@@](C)(c2ccc(O)cc2)C1	238448951	573611798	/nfs/dbraw/zinc/61/17/98/573611798.db2.gz	WUBGSFVREDWYDK-GXFFZTMASA-N	0	0	190.286	3.470	10	0		AGAERN
CCc1[nH]c2c(C)cccc2c1C	83728614	573611283	/nfs/dbraw/zinc/61/12/83/573611283.db2.gz	ZBZQBZHYMZVPJU-UHFFFAOYSA-N	0	0	173.259	3.347	10	0		AGAERN
COC(=O)[C@H]1CCC[C@H](CC(C)C)C1	259527236	573611324	/nfs/dbraw/zinc/61/13/24/573611324.db2.gz	DXSOHSBXBZWMII-MNOVXSKESA-N	0	0	198.306	3.012	10	0		AGAERN
C=Cc1cccc(C(C)C)c1O	142723497	573611445	/nfs/dbraw/zinc/61/14/45/573611445.db2.gz	SBUCLJOUMKEBBI-UHFFFAOYSA-N	0	0	162.232	3.159	10	0		AGAERN
O=C1CCc2cc(-c3ccco3)ccc21	236414751	573611600	/nfs/dbraw/zinc/61/16/00/573611600.db2.gz	LSEPYXLSKSHTBR-UHFFFAOYSA-N	0	0	198.221	3.076	10	0		AGAERN
COc1ccc2ccsc2c1F	107459996	573622486	/nfs/dbraw/zinc/62/24/86/573622486.db2.gz	KQWVGACAXRTAEN-UHFFFAOYSA-N	0	0	182.219	3.049	10	0		AGAERN
CC[C@@H]1c2ccc(F)cc2N[C@@H]1C	107459439	573622563	/nfs/dbraw/zinc/62/25/63/573622563.db2.gz	FMYRTVPCMPMQCF-APPZFPTMSA-N	0	0	179.238	3.133	10	0		AGAERN
CC[C@H]1c2ccc(F)cc2N[C@@H]1C	107459441	573622858	/nfs/dbraw/zinc/62/28/58/573622858.db2.gz	FMYRTVPCMPMQCF-VXNVDRBHSA-N	0	0	179.238	3.133	10	0		AGAERN
CCC(=O)C1CCC(C)(C)CC1	83778548	573628917	/nfs/dbraw/zinc/62/89/17/573628917.db2.gz	QQZAJJUPMPLERM-UHFFFAOYSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)[C@@H]1c2ccccc2N[C@H]1C	224458864	573628934	/nfs/dbraw/zinc/62/89/34/573628934.db2.gz	GXZBAVYYTINYSE-CABZTGNLSA-N	0	0	175.275	3.240	10	0		AGAERN
CC(C)C1CCC([C@@H](O)C2CC2)CC1	83780486	573628952	/nfs/dbraw/zinc/62/89/52/573628952.db2.gz	KCIRMHJKCINCEJ-GCZXYKMCSA-N	0	0	196.334	3.220	10	0		AGAERN
CC(C)C[C@@H](O)C1CCCCCC1	83779272	573629026	/nfs/dbraw/zinc/62/90/26/573629026.db2.gz	MSRRSURNBVMZPC-GFCCVEGCSA-N	0	0	184.323	3.364	10	0		AGAERN
CCOC(=N)C1CCC(C)(C)CC1	83778869	573629059	/nfs/dbraw/zinc/62/90/59/573629059.db2.gz	DBCYZOQHDNPOCM-UHFFFAOYSA-N	0	0	183.295	3.217	10	0		AGAERN
O[C@@H](c1ccco1)C1CCCCCC1	83779301	573629332	/nfs/dbraw/zinc/62/93/32/573629332.db2.gz	AMQCRBMHYGIOSJ-GFCCVEGCSA-N	0	0	194.274	3.283	10	0		AGAERN
CCC(=O)C1CCC(C(C)C)CC1	83780252	573629529	/nfs/dbraw/zinc/62/95/29/573629529.db2.gz	ZDFJIHWPDJQBMQ-UHFFFAOYSA-N	0	0	182.307	3.428	10	0		AGAERN
C[C@H]1CC[C@@H](C(=O)c2ccccc2)C1	83785048	573632233	/nfs/dbraw/zinc/63/22/33/573632233.db2.gz	ZHMZVFATAVLKEW-CMPLNLGQSA-N	0	0	188.270	3.306	10	0		AGAERN
CCC[C@@H]1C[C@@]1(O)c1cscc1C	86817021	573632271	/nfs/dbraw/zinc/63/22/71/573632271.db2.gz	SBNQKMRJCDLXBE-KOLCDFICSA-N	0	0	196.315	3.064	10	0		AGAERN
C[C@H]1CC[C@H](C(=O)C(C)(C)C)C1	83784303	573632310	/nfs/dbraw/zinc/63/23/10/573632310.db2.gz	LWVAXPHUQYALCJ-IUCAKERBSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)CC(=O)[C@H]1CC[C@@H](C)C1	83784320	573632353	/nfs/dbraw/zinc/63/23/53/573632353.db2.gz	BGYWIOYWENUARJ-ZJUUUORDSA-N	0	0	168.280	3.038	10	0		AGAERN
C[C@@H]1CC[C@H](C(=O)C2CCCC2)C1	83784880	573632493	/nfs/dbraw/zinc/63/24/93/573632493.db2.gz	ZCAFPLVORAEQMO-KOLCDFICSA-N	0	0	180.291	3.182	10	0		AGAERN
CC(C)[C@](C)(F)c1cccc(C=O)c1	259538387	573632670	/nfs/dbraw/zinc/63/26/70/573632670.db2.gz	BOQWCWROWSFVCB-LBPRGKRZSA-N	0	0	194.249	3.340	10	0		AGAERN
CC[C@@H]1CC[C@@H]([C@H](O)c2ccoc2)C1	83799559	573638003	/nfs/dbraw/zinc/63/80/03/573638003.db2.gz	KMZDLXXJQKNBFG-FOGDFJRCSA-N	0	0	194.274	3.139	10	0		AGAERN
CC[C@@H]1CC[C@H]([C@H](O)C2CCCC2)C1	83798890	573638049	/nfs/dbraw/zinc/63/80/49/573638049.db2.gz	CWBGBBUHHKERLG-KGYLQXTDSA-N	0	0	196.334	3.364	10	0		AGAERN
C=Cc1nc([C@@H]2CC[C@H](CC)C2)no1	83791443	573638059	/nfs/dbraw/zinc/63/80/59/573638059.db2.gz	CHYZGHKEPAIXHO-DTWKUNHWSA-N	0	0	192.262	3.006	10	0		AGAERN
CC(=O)c1cccc([C@@H]2CC2(F)F)c1	258074966	573638070	/nfs/dbraw/zinc/63/80/70/573638070.db2.gz	LUMSRVLPAWPBTE-JTQLQIEISA-N	0	0	196.196	3.012	10	0		AGAERN
CSC1=Nc2ccccc2CS1	148825186	573638167	/nfs/dbraw/zinc/63/81/67/573638167.db2.gz	BLQSKGWBYALSQI-UHFFFAOYSA-N	0	0	195.312	3.284	10	0		AGAERN
Cc1ncc(C(F)F)c(Cl)c1F	238460902	573638234	/nfs/dbraw/zinc/63/82/34/573638234.db2.gz	XHQDQGYCXNKUCF-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
Cc1ncc(C(F)F)c(Cl)c1C	238460570	573638524	/nfs/dbraw/zinc/63/85/24/573638524.db2.gz	MEKKQIWRFGKART-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
Cc1c(Cl)cnc2ccc(F)cc12	257845052	573638544	/nfs/dbraw/zinc/63/85/44/573638544.db2.gz	NKZNSAXKJMEIHZ-UHFFFAOYSA-N	0	0	195.624	3.336	10	0		AGAERN
C=Cc1nc([C@@H]2CC[C@@H](CC)C2)no1	83791441	573638650	/nfs/dbraw/zinc/63/86/50/573638650.db2.gz	CHYZGHKEPAIXHO-RKDXNWHRSA-N	0	0	192.262	3.006	10	0		AGAERN
CC[C@H]1CC[C@@H](C(=O)c2ccoc2)C1	83793017	573638841	/nfs/dbraw/zinc/63/88/41/573638841.db2.gz	LVHPQMWVWCJUAU-VHSXEESVSA-N	0	0	192.258	3.289	10	0		AGAERN
CCCC(=O)[C@H]1CCc2ccccc21	83798657	573638970	/nfs/dbraw/zinc/63/89/70/573638970.db2.gz	OYSNKYIPBOECLQ-LBPRGKRZSA-N	0	0	188.270	3.086	10	0		AGAERN
CC(=O)c1cccc([C@H]2CC2(F)F)c1	258074968	573639098	/nfs/dbraw/zinc/63/90/98/573639098.db2.gz	LUMSRVLPAWPBTE-SNVBAGLBSA-N	0	0	196.196	3.012	10	0		AGAERN
C=Cc1nc([C@H]2CC[C@H](CC)C2)no1	83791440	573639303	/nfs/dbraw/zinc/63/93/03/573639303.db2.gz	CHYZGHKEPAIXHO-IUCAKERBSA-N	0	0	192.262	3.006	10	0		AGAERN
CCC[C@H](O)[C@@H](C)CC1CCCC1	689816731	573655982	/nfs/dbraw/zinc/65/59/82/573655982.db2.gz	DMUOGJIJRRRZFS-JQWIXIFHSA-N	0	0	184.323	3.364	10	0		AGAERN
Nc1cc(F)c2c(Cl)cccc2c1	257841368	573655989	/nfs/dbraw/zinc/65/59/89/573655989.db2.gz	BSWYVFJKXYEHDI-UHFFFAOYSA-N	0	0	195.624	3.215	10	0		AGAERN
Cc1ccc(C)c2[nH]c(Cl)cc12	238458235	573656994	/nfs/dbraw/zinc/65/69/94/573656994.db2.gz	IHAZRQCVXPFLJG-UHFFFAOYSA-N	0	0	179.650	3.438	10	0		AGAERN
CC1(C)CCC[C@@H]1Nc1cccnc1	86855645	573656293	/nfs/dbraw/zinc/65/62/93/573656293.db2.gz	CHYDVYMPLDOLOQ-NSHDSACASA-N	0	0	190.290	3.072	10	0		AGAERN
C[C@H]1CCc2sc(C3CC3)nc21	144560173	573664336	/nfs/dbraw/zinc/66/43/36/573664336.db2.gz	LDNDATWEZNUITC-LURJTMIESA-N	0	0	179.288	3.070	10	0		AGAERN
CC[C@@H](C)[C@H]1CCc2ccccc2N1	83824004	573663833	/nfs/dbraw/zinc/66/38/33/573663833.db2.gz	FXVDJUVTOZNDOX-ZYHUDNBSSA-N	0	0	189.302	3.459	10	0		AGAERN
C=Cc1cc(C)nc2ccccc12	78885457	573663933	/nfs/dbraw/zinc/66/39/33/573663933.db2.gz	QSJQNGHPUQYUOJ-UHFFFAOYSA-N	0	0	169.227	3.186	10	0		AGAERN
CCC/C=C/C1CCC(=O)CC1	144597275	573664047	/nfs/dbraw/zinc/66/40/47/573664047.db2.gz	BTDUFFIVVRZWLJ-SNAWJCMRSA-N	0	0	166.264	3.102	10	0		AGAERN
CC[C@@H](C)[C@@H]1CCc2ccccc2N1	83824002	573668610	/nfs/dbraw/zinc/66/86/10/573668610.db2.gz	FXVDJUVTOZNDOX-PWSUYJOCSA-N	0	0	189.302	3.459	10	0		AGAERN
C[C@H]1CCC(=O)C[C@H]2CCC=C1C2	238474614	573668697	/nfs/dbraw/zinc/66/86/97/573668697.db2.gz	HGRMQEVOJXQOSR-UWVGGRQHSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@H](O)[C@@H]1CCCC2=C1CCCC2	238474389	573668933	/nfs/dbraw/zinc/66/89/33/573668933.db2.gz	OWSCBMSOPIIACR-ONGXEEELSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(C)[C@@H]1CC[C@H](C)[C@@H]([C@@H](C)CO)C1	144598035	573668979	/nfs/dbraw/zinc/66/89/79/573668979.db2.gz	QFOKXHBMOIVVJY-RVMXOQNASA-N	0	0	198.350	3.323	10	0		AGAERN
C[C@@H]1CC[C@H](C(=O)CC2CCC2)C1	83840340	573679394	/nfs/dbraw/zinc/67/93/94/573679394.db2.gz	LTFHQGKALJJBOQ-KOLCDFICSA-N	0	0	180.291	3.182	10	0		AGAERN
O[C@@H](CC1CCC1)c1cccc(F)c1	83840415	573679430	/nfs/dbraw/zinc/67/94/30/573679430.db2.gz	WYUZSBQAVJDFRQ-LBPRGKRZSA-N	0	0	194.249	3.049	10	0		AGAERN
C[C@H]1Cc2cc3ccccc3cc2N1	238469547	573679488	/nfs/dbraw/zinc/67/94/88/573679488.db2.gz	MGHKHYVKYHGBTO-VIFPVBQESA-N	0	0	183.254	3.196	10	0		AGAERN
C[C@@H]1CC[C@@H](C(=O)CC2CCC2)C1	83840347	573679627	/nfs/dbraw/zinc/67/96/27/573679627.db2.gz	LTFHQGKALJJBOQ-MWLCHTKSSA-N	0	0	180.291	3.182	10	0		AGAERN
CC[C@H](O)c1cc(C)ccc1Cl	107997201	573679631	/nfs/dbraw/zinc/67/96/31/573679631.db2.gz	IFRYEWRPAZZEBV-JTQLQIEISA-N	0	0	184.666	3.092	10	0		AGAERN
CCC(=O)c1cc(CC)ccc1Cl	107998223	573679708	/nfs/dbraw/zinc/67/97/08/573679708.db2.gz	WKGFKTAXHZRNFL-UHFFFAOYSA-N	0	0	196.677	3.495	10	0		AGAERN
O=C(CC1CCC1)c1ccsc1	83840047	573679812	/nfs/dbraw/zinc/67/98/12/573679812.db2.gz	DZSWHEQUDQLJFO-UHFFFAOYSA-N	0	0	180.272	3.121	10	0		AGAERN
Cc1ccc2c(C)c(Cl)n(C)c2c1	258091065	573679950	/nfs/dbraw/zinc/67/99/50/573679950.db2.gz	XJKASJMIFIVTDT-UHFFFAOYSA-N	0	0	193.677	3.449	10	0		AGAERN
CC[C@H](C)[C@@H](O)Cc1csc(C)c1	393547608	573682912	/nfs/dbraw/zinc/68/29/12/573682912.db2.gz	JTWUVHWIOBLLCY-KWQFWETISA-N	0	0	198.331	3.006	10	0		AGAERN
C/C(=C/Cl)c1cccs1	238469202	573682343	/nfs/dbraw/zinc/68/23/43/573682343.db2.gz	RCMFTMOYEMPHRI-WAYWQWQTSA-N	0	0	158.653	3.348	10	0		AGAERN
CC[C@H](C)[C@H](O)Cc1csc(C)c1	393547602	573682475	/nfs/dbraw/zinc/68/24/75/573682475.db2.gz	JTWUVHWIOBLLCY-GZMMTYOYSA-N	0	0	198.331	3.006	10	0		AGAERN
Cc1ccc(CF)c(C(F)(F)F)c1	238469136	573682629	/nfs/dbraw/zinc/68/26/29/573682629.db2.gz	GKENRGYXJISQAE-UHFFFAOYSA-N	0	0	192.155	3.483	10	0		AGAERN
Cc1ccc(CF)c2ncccc12	238469294	573682681	/nfs/dbraw/zinc/68/26/81/573682681.db2.gz	OBXGEDZODGKTGM-UHFFFAOYSA-N	0	0	175.206	3.013	10	0		AGAERN
CCc1ccccc1OCC1CCC1	83842176	573686144	/nfs/dbraw/zinc/68/61/44/573686144.db2.gz	LLPXNLQQVDYKFX-UHFFFAOYSA-N	0	0	190.286	3.428	10	0		AGAERN
Cc1ccc(C)n1C1CCSCC1	122027138	573686260	/nfs/dbraw/zinc/68/62/60/573686260.db2.gz	DIZTZWDYBQMKOW-UHFFFAOYSA-N	0	0	195.331	3.173	10	0		AGAERN
Cc1ccc2c(c1)[C@H](O)C[C@@H](C)[C@@H]2C	238470100	573686398	/nfs/dbraw/zinc/68/63/98/573686398.db2.gz	GAPZRFSDYLFKDB-GBIKHYSHSA-N	0	0	190.286	3.172	10	0		AGAERN
C[C@@H]1Cc2cc3ccccc3cc2N1	238470423	573686405	/nfs/dbraw/zinc/68/64/05/573686405.db2.gz	MGHKHYVKYHGBTO-SECBINFHSA-N	0	0	183.254	3.196	10	0		AGAERN
C/C=C(/C)c1c(OC)cccc1OC	308421059	573686640	/nfs/dbraw/zinc/68/66/40/573686640.db2.gz	WMCKSDBFZOMJEC-UITAMQMPSA-N	0	0	192.258	3.127	10	0		AGAERN
CC1=C(C)CC(=O)C[C@@H](C)CC1	238478809	573686780	/nfs/dbraw/zinc/68/67/80/573686780.db2.gz	XFHZWQCMCRCWSN-QMMMGPOBSA-N	0	0	166.264	3.102	10	0		AGAERN
Cc1ccnc(Cl)c1NC1CCC1	83852062	573686790	/nfs/dbraw/zinc/68/67/90/573686790.db2.gz	AHSURJWDCVTWRD-UHFFFAOYSA-N	0	0	196.681	3.008	10	0		AGAERN
CC1=CCC[C@H](C)[C@]12CCC(=O)C2	238481751	573696913	/nfs/dbraw/zinc/69/69/13/573696913.db2.gz	PRDNOXGWMSOITL-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@@H](F)c1cc(C=O)c(Cl)s1	257851277	573696984	/nfs/dbraw/zinc/69/69/84/573696984.db2.gz	OYZYMBRUYMMTKD-SCSAIBSYSA-N	0	0	192.642	3.245	10	0		AGAERN
Cc1ccc(CC2CCCCC2)[nH]1	238481119	573697320	/nfs/dbraw/zinc/69/73/20/573697320.db2.gz	ABADQHFUYIKEAH-UHFFFAOYSA-N	0	0	177.291	3.446	10	0		AGAERN
Cc1[nH]c2c(F)cccc2c1C1CC1	238480997	573697339	/nfs/dbraw/zinc/69/73/39/573697339.db2.gz	WVVCJPQQHGBJAV-UHFFFAOYSA-N	0	0	189.233	3.493	10	0		AGAERN
C/C=C/C(C)(C)[C@@H](O)c1ccccc1	237995940	573697878	/nfs/dbraw/zinc/69/78/78/573697878.db2.gz	HHONSBKXCRDGLR-YCGNWBHESA-N	0	0	190.286	3.322	10	0		AGAERN
C[C@@H](O)CC(C)(C)C1CC2(CCC2)C1	717539907	573698294	/nfs/dbraw/zinc/69/82/94/573698294.db2.gz	SZMYRUCYSNLJMS-SNVBAGLBSA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@H]1CCC=C2CCCC(=O)[C@]21C	238482667	573698302	/nfs/dbraw/zinc/69/83/02/573698302.db2.gz	VHLUTMKYFHULOO-CABZTGNLSA-N	0	0	178.275	3.102	10	0		AGAERN
Nc1ccc(Cl)cc1CC1CCC1	257848169	573698380	/nfs/dbraw/zinc/69/83/80/573698380.db2.gz	OFJBIVNZYNQNLY-UHFFFAOYSA-N	0	0	195.693	3.265	10	0		AGAERN
COCc1csc2c(F)cccc12	257848492	573699184	/nfs/dbraw/zinc/69/91/84/573699184.db2.gz	AYLBKUNZDYLGDX-UHFFFAOYSA-N	0	0	196.246	3.187	10	0		AGAERN
Cc1coc(Oc2ccccc2C)n1	257848532	573698541	/nfs/dbraw/zinc/69/85/41/573698541.db2.gz	BAMKGGDCBBVZKD-UHFFFAOYSA-N	0	0	189.214	3.084	10	0		AGAERN
Fc1ccccc1-c1ncc(Cl)o1	258415153	573698566	/nfs/dbraw/zinc/69/85/66/573698566.db2.gz	CHYRJHNYORLBQL-UHFFFAOYSA-N	0	0	197.596	3.134	10	0		AGAERN
CC[C@@]1(C)Nc2cccc(O)c2[C@@H]1C	258100714	573706527	/nfs/dbraw/zinc/70/65/27/573706527.db2.gz	IOFZXVYTMBQTST-QPUJVOFHSA-N	0	0	191.274	3.090	10	0		AGAERN
CC(C)c1cc(F)cc(F)c1	75838884	573706590	/nfs/dbraw/zinc/70/65/90/573706590.db2.gz	DBJPSXMQULNSML-UHFFFAOYSA-N	0	0	156.175	3.088	10	0		AGAERN
C[C@H](c1ccccc1O)C(F)(F)F	75839474	573706599	/nfs/dbraw/zinc/70/65/99/573706599.db2.gz	BMKQRKPTOOUYKM-ZCFIWIBFSA-N	0	0	190.164	3.058	10	0		AGAERN
c1ccc2c(c1)NCCCCCCO2	238014043	573706625	/nfs/dbraw/zinc/70/66/25/573706625.db2.gz	CMQLDDLRRIBHOF-UHFFFAOYSA-N	0	0	191.274	3.051	10	0		AGAERN
CC[C@H](O)/C(C)=C/[C@@H]1CC=C(C)CC1	135971140	573706703	/nfs/dbraw/zinc/70/67/03/573706703.db2.gz	XZSMHQUHZREMCJ-SDGMYFCLSA-N	0	0	194.318	3.450	10	0		AGAERN
Cc1cnc(C2CCCC2)s1	75840711	573706824	/nfs/dbraw/zinc/70/68/24/573706824.db2.gz	SDFKTGROCMCYDY-UHFFFAOYSA-N	0	0	167.277	3.109	10	0		AGAERN
Cc1ccc(F)c(C)c1Cl	75838551	573706851	/nfs/dbraw/zinc/70/68/51/573706851.db2.gz	HVRIMJZAAPPLII-UHFFFAOYSA-N	0	0	158.603	3.096	10	0		AGAERN
CC(C)c1ccc(F)c(F)c1	75838886	573706886	/nfs/dbraw/zinc/70/68/86/573706886.db2.gz	FGCURPSLFUFTIF-UHFFFAOYSA-N	0	0	156.175	3.088	10	0		AGAERN
C1=C[C@H](Cc2ccccn2)CCCC1	238017030	573707029	/nfs/dbraw/zinc/70/70/29/573707029.db2.gz	KUOBGGUTLZBLOV-LBPRGKRZSA-N	0	0	187.286	3.371	10	0		AGAERN
CC1=CC[C@H](/C(C)=C\[C@@H](C)O)CC1	238477418	573707048	/nfs/dbraw/zinc/70/70/48/573707048.db2.gz	JUWYPYJBMUQWJW-ZFPPVFKBSA-N	0	0	180.291	3.060	10	0		AGAERN
C[C@H]1C[C@H](Nc2ccsc2)CS1	86936380	573707087	/nfs/dbraw/zinc/70/70/87/573707087.db2.gz	RQRGRCWQNDHPKM-CBAPKCEASA-N	0	0	199.344	3.054	10	0		AGAERN
Cc1cc(C)c2c(c1)[C@@H](C)CC[C@H]2O	238485433	573707292	/nfs/dbraw/zinc/70/72/92/573707292.db2.gz	ACXDPHYJMLOGTF-JOYOIKCWSA-N	0	0	190.286	3.234	10	0		AGAERN
Cc1ccc(Cl)cc1[C@H](O)C(C)C	75853460	573711629	/nfs/dbraw/zinc/71/16/29/573711629.db2.gz	WDRXXBBGQRGWGW-LLVKDONJSA-N	0	0	198.693	3.338	10	0		AGAERN
Cc1[nH]cc2c1CCc1ccccc1-2	238492819	573711806	/nfs/dbraw/zinc/71/18/06/573711806.db2.gz	KBGHCEZUFCKTEE-UHFFFAOYSA-N	0	0	183.254	3.089	10	0		AGAERN
CCSCc1cc2ccccc2[nH]1	258094985	573711924	/nfs/dbraw/zinc/71/19/24/573711924.db2.gz	ROGJNQPTCUCNCD-UHFFFAOYSA-N	0	0	191.299	3.421	10	0		AGAERN
CC1=CC[C@@H]2CCC(=O)[C@@]2(C)CC1	198514769	573712004	/nfs/dbraw/zinc/71/20/04/573712004.db2.gz	FIRSRDZUVVQXSG-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
O[C@]1(C2=CCCCCC2)C=CCCC1	236547745	573714042	/nfs/dbraw/zinc/71/40/42/573714042.db2.gz	HRCOXPFFCAIHQQ-CYBMUJFWSA-N	0	0	192.302	3.348	10	0		AGAERN
C/C=C/[C@@H](O)C1=C(C)CCC1(C)C	238032818	573714087	/nfs/dbraw/zinc/71/40/87/573714087.db2.gz	HNHZBCOYPYGOTE-BRAIEQGRSA-N	0	0	180.291	3.060	10	0		AGAERN
CC(C)=C1CCCC[C@]12CCC2=O	224593300	573714129	/nfs/dbraw/zinc/71/41/29/573714129.db2.gz	MHCIPHYSOFOSHL-LBPRGKRZSA-N	0	0	178.275	3.246	10	0		AGAERN
C[C@@H]1CC(=O)C[C@H](C(C)(C)C)C1	238492026	573714160	/nfs/dbraw/zinc/71/41/60/573714160.db2.gz	XTBLRIDDPIWKQO-DTWKUNHWSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1ccc2[nH]c3c(c2c1)SCC3	238492889	573714280	/nfs/dbraw/zinc/71/42/80/573714280.db2.gz	KGDRIYVMFWJJEZ-UHFFFAOYSA-N	0	0	189.283	3.125	10	0		AGAERN
CCOc1c[nH]c2cc(Cl)ccc12	197515284	573714300	/nfs/dbraw/zinc/71/43/00/573714300.db2.gz	ADOAIKRFLNCWLR-UHFFFAOYSA-N	0	0	195.649	3.220	10	0		AGAERN
C/C=C/[C@@H](O)C1=C[C@H](C)CC(C)(C)C1	238033146	573714418	/nfs/dbraw/zinc/71/44/18/573714418.db2.gz	KFWFWAMYZHZFDD-SKNSLPIRSA-N	0	0	194.318	3.306	10	0		AGAERN
CC(C)C(=O)c1cccc2cccnc12	75854522	573714472	/nfs/dbraw/zinc/71/44/72/573714472.db2.gz	DSGNLLIAWOITJE-UHFFFAOYSA-N	0	0	199.253	3.074	10	0		AGAERN
C/C=C/[C@@H](O)C1=CCCCC1(C)C	238032967	573714543	/nfs/dbraw/zinc/71/45/43/573714543.db2.gz	ALXIBTVINABMPN-TZOMUSMUSA-N	0	0	180.291	3.060	10	0		AGAERN
Cc1nc(C(F)F)c(Cl)cc1F	238493428	573714652	/nfs/dbraw/zinc/71/46/52/573714652.db2.gz	MIBKZUDHJRQJHS-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
C/C=C/[C@@H](O)C1=C[C@@H](C)CC(C)(C)C1	238033116	573714690	/nfs/dbraw/zinc/71/46/90/573714690.db2.gz	KFWFWAMYZHZFDD-PLWSPRCSSA-N	0	0	194.318	3.306	10	0		AGAERN
CC(=O)c1ccc2sc(C)cc2c1	108268264	573714968	/nfs/dbraw/zinc/71/49/68/573714968.db2.gz	STVAGAZHWSSRJJ-UHFFFAOYSA-N	0	0	190.267	3.412	10	0		AGAERN
Cc1[nH]ccc1Sc1ccccc1	238493096	573715051	/nfs/dbraw/zinc/71/50/51/573715051.db2.gz	JDVPGBLGUGAQOC-UHFFFAOYSA-N	0	0	189.283	3.474	10	0		AGAERN
CCCCC/C=C\[C@H]1CCC(=O)C1	215327283	573715138	/nfs/dbraw/zinc/71/51/38/573715138.db2.gz	KVSSZEFSPOOBOO-ZADCQDASSA-N	0	0	180.291	3.492	10	0		AGAERN
C[C@@H](O)c1cc2c(Cl)cccc2o1	257854501	573715329	/nfs/dbraw/zinc/71/53/29/573715329.db2.gz	FOQKNGKYKHUKFB-ZCFIWIBFSA-N	0	0	196.633	3.140	10	0		AGAERN
OC12CCC(C3CCCC3)(CC1)CC2	258512362	573715535	/nfs/dbraw/zinc/71/55/35/573715535.db2.gz	FJQGJDMZWISBKV-UHFFFAOYSA-N	0	0	194.318	3.262	10	0		AGAERN
C[C@H]1CCCCCC[C@@H](C)C1=O	238487419	573731195	/nfs/dbraw/zinc/73/11/95/573731195.db2.gz	ZHAQMVQLHKELQG-AOOOYVTPSA-N	0	0	168.280	3.182	10	0		AGAERN
CC(C)C[C@@H]1CCC(=O)c2cccn21	83982285	573731376	/nfs/dbraw/zinc/73/13/76/573731376.db2.gz	INCSJHQOSQECFK-JTQLQIEISA-N	0	0	191.274	3.052	10	0		AGAERN
Cc1sc(=O)[nH]c1C1CCCCC1	257852662	573731417	/nfs/dbraw/zinc/73/14/17/573731417.db2.gz	PIWDMSIFXHPLRJ-UHFFFAOYSA-N	0	0	197.303	3.205	10	0		AGAERN
CC(C)C[C@H]1CCC(=O)c2cccn21	83982286	573731450	/nfs/dbraw/zinc/73/14/50/573731450.db2.gz	INCSJHQOSQECFK-SNVBAGLBSA-N	0	0	191.274	3.052	10	0		AGAERN
C[C@H]1CC2=C[C@@H](CCC2)CCC1=O	238488196	573731470	/nfs/dbraw/zinc/73/14/70/573731470.db2.gz	KXTHKZXRMIYZAQ-UWVGGRQHSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1=CC[C@H](C/C(C)=C\CO)C1(C)C	224639545	573731721	/nfs/dbraw/zinc/73/17/21/573731721.db2.gz	UJWUPIIWUYVKKX-MQGYJPLLSA-N	0	0	194.318	3.308	10	0		AGAERN
CC(C)(C)[C@@H](CF)c1ccc(N)cc1	258109840	573731901	/nfs/dbraw/zinc/73/19/01/573731901.db2.gz	ORBGVSIPCSYSMN-NSHDSACASA-N	0	0	195.281	3.368	10	0		AGAERN
CC(C)(C)[C@H]1CCC(=O)c2cccn21	83982288	573732056	/nfs/dbraw/zinc/73/20/56/573732056.db2.gz	JLTLUMWFKGRGSQ-LLVKDONJSA-N	0	0	191.274	3.052	10	0		AGAERN
C=C/C=C(/C)[C@@H](CCCO)C(C)C	393558077	573732216	/nfs/dbraw/zinc/73/22/16/573732216.db2.gz	UDJFAVSFELAVHJ-RDQDRAATSA-N	0	0	182.307	3.163	10	0		AGAERN
C=C/C=C(/C)[C@H](CCCO)C(C)C	393558078	573732275	/nfs/dbraw/zinc/73/22/75/573732275.db2.gz	UDJFAVSFELAVHJ-SEVUFMINSA-N	0	0	182.307	3.163	10	0		AGAERN
Cc1ccc(Oc2nc(C)co2)cc1	257852286	573732581	/nfs/dbraw/zinc/73/25/81/573732581.db2.gz	CAACWCUGJNEFHM-UHFFFAOYSA-N	0	0	189.214	3.084	10	0		AGAERN
CC(C)C(=S)Nc1ccccc1F	144707424	573732600	/nfs/dbraw/zinc/73/26/00/573732600.db2.gz	XGJXCUZINUMNKW-UHFFFAOYSA-N	0	0	197.278	3.221	10	0		AGAERN
Cc1cc(C(C)(C)C)cc(N=O)c1O	238490002	573739674	/nfs/dbraw/zinc/73/96/74/573739674.db2.gz	KCQZAQIRWURWMJ-UHFFFAOYSA-N	0	0	193.246	3.396	10	0		AGAERN
Cc1cc(C(F)F)c(C)c(Cl)n1	238499945	573739700	/nfs/dbraw/zinc/73/97/00/573739700.db2.gz	SMLFVZYSIMBLID-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
O[C@@H](c1ccccc1C1CC1)C1CC1	87015282	573739703	/nfs/dbraw/zinc/73/97/03/573739703.db2.gz	ZDGCPJMZPZFLPK-CYBMUJFWSA-N	0	0	188.270	3.007	10	0		AGAERN
CC(=O)[C@@H]1CC/C=C/CCCC1	238073083	573739116	/nfs/dbraw/zinc/73/91/16/573739116.db2.gz	RPIVYBBCYLRMIM-JRBALWBOSA-N	0	0	166.264	3.102	10	0		AGAERN
CC(C)[C@@H](O)c1ccccc1C1CC1	87015170	573739245	/nfs/dbraw/zinc/73/92/45/573739245.db2.gz	HTEIBUJKLAUHPT-CYBMUJFWSA-N	0	0	190.286	3.253	10	0		AGAERN
Cc1ccc([C@H]2CCC(=O)[C@H]2C)s1	84020536	573739506	/nfs/dbraw/zinc/73/95/06/573739506.db2.gz	UUVIEZJTZBZHJQ-IUCAKERBSA-N	0	0	194.299	3.139	10	0		AGAERN
Cc1c(Cl)cc2ccccc2c1N	238501884	573744432	/nfs/dbraw/zinc/74/44/32/573744432.db2.gz	VSOQBROBEBGEEH-UHFFFAOYSA-N	0	0	191.661	3.384	10	0		AGAERN
Cc1ccsc1[C@@H]1CCC(=O)[C@H]1C	87023026	573744467	/nfs/dbraw/zinc/74/44/67/573744467.db2.gz	PMWGWKJONVEVBA-DTWKUNHWSA-N	0	0	194.299	3.139	10	0		AGAERN
Cc1cccc(NCCCC(F)F)c1	688741204	573744530	/nfs/dbraw/zinc/74/45/30/573744530.db2.gz	WXOIFXHRVMGAEH-UHFFFAOYSA-N	0	0	199.244	3.452	10	0		AGAERN
Nc1cnccc1C1CCCCCC1	257860937	573744546	/nfs/dbraw/zinc/74/45/46/573744546.db2.gz	QYWHYYUQDZHTEK-UHFFFAOYSA-N	0	0	190.290	3.102	10	0		AGAERN
CC(=O)C[C@@H](C)c1sccc1C	87023016	573744569	/nfs/dbraw/zinc/74/45/69/573744569.db2.gz	DXEDXIZZMBKGPP-MRVPVSSYSA-N	0	0	182.288	3.139	10	0		AGAERN
Nc1cc2c3c(c1)CCC[C@@H]3CC=C2	108298230	573744689	/nfs/dbraw/zinc/74/46/89/573744689.db2.gz	SXHOKMHIEOUVDU-VIFPVBQESA-N	0	0	185.270	3.106	10	0		AGAERN
Cc1nc(C(F)F)cc(F)c1Cl	238500590	573744690	/nfs/dbraw/zinc/74/46/90/573744690.db2.gz	UDWPSFNCUDFHJK-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
Nc1cc2c3c(c1)CCCC3CCC2	108299600	573744763	/nfs/dbraw/zinc/74/47/63/573744763.db2.gz	DTIJOHJFDBNWIY-UHFFFAOYSA-N	0	0	187.286	3.025	10	0		AGAERN
Cc1ccsc1[C@@]1(O)CC[C@@H](C)C1	87020784	573744835	/nfs/dbraw/zinc/74/48/35/573744835.db2.gz	DXIFLODLXZBVNJ-LDYMZIIASA-N	0	0	196.315	3.064	10	0		AGAERN
Cc1ccsc1[C@@H]1CCCC(=O)C1	87022980	573744860	/nfs/dbraw/zinc/74/48/60/573744860.db2.gz	SZGGTOGXISZAIF-SECBINFHSA-N	0	0	194.299	3.283	10	0		AGAERN
Cc1nc2ccc(F)c(C)c2s1	238501017	573744877	/nfs/dbraw/zinc/74/48/77/573744877.db2.gz	FCADQRABKDASGY-UHFFFAOYSA-N	0	0	181.235	3.052	10	0		AGAERN
Oc1cc2c3c(c1)CCCC3CCC2	108300068	573744893	/nfs/dbraw/zinc/74/48/93/573744893.db2.gz	XUJCYRCWBNRRQI-UHFFFAOYSA-N	0	0	188.270	3.148	10	0		AGAERN
CC(=O)C[C@H](C)c1sccc1C	87023014	573744924	/nfs/dbraw/zinc/74/49/24/573744924.db2.gz	DXEDXIZZMBKGPP-QMMMGPOBSA-N	0	0	182.288	3.139	10	0		AGAERN
Cc1ccsc1[C@H]1CCC(=O)[C@@H]1C	87023023	573745875	/nfs/dbraw/zinc/74/58/75/573745875.db2.gz	PMWGWKJONVEVBA-BDAKNGLRSA-N	0	0	194.299	3.139	10	0		AGAERN
CC[C@@](O)(c1sccc1C)C1CC1	87020835	573745881	/nfs/dbraw/zinc/74/58/81/573745881.db2.gz	ZGEGYUWXODWUHG-NSHDSACASA-N	0	0	196.315	3.064	10	0		AGAERN
Cc1cc2c(Cl)cc(F)cc2[nH]1	238501090	573745888	/nfs/dbraw/zinc/74/58/88/573745888.db2.gz	VKPDUUCPUQIXSV-UHFFFAOYSA-N	0	0	183.613	3.269	10	0		AGAERN
Cc1cc2c(Cl)c(O)cc(C)c2[nH]1	238500999	573746016	/nfs/dbraw/zinc/74/60/16/573746016.db2.gz	PQGGPFZHXVGMNX-UHFFFAOYSA-N	0	0	195.649	3.144	10	0		AGAERN
C=Cc1ccccc1C1CC1	87015657	573746118	/nfs/dbraw/zinc/74/61/18/573746118.db2.gz	ZHORFGHIMMJGQI-UHFFFAOYSA-N	0	0	144.217	3.207	10	0		AGAERN
CC[C@](O)(c1sccc1C)C1CC1	87020837	573746171	/nfs/dbraw/zinc/74/61/71/573746171.db2.gz	ZGEGYUWXODWUHG-LLVKDONJSA-N	0	0	196.315	3.064	10	0		AGAERN
Cc1cc(C(F)F)c(C)nc1Cl	238500507	573746176	/nfs/dbraw/zinc/74/61/76/573746176.db2.gz	PQOYBHQDHLFXAS-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
C/C=C(/C)C[C@@H](O)C1CCCCC1	238061149	573746200	/nfs/dbraw/zinc/74/62/00/573746200.db2.gz	RHKMQSOEVMTXKY-UOLPYZNQSA-N	0	0	182.307	3.284	10	0		AGAERN
Cc1ccsc1[C@@]1(O)CCC[C@H]1C	87020852	573746244	/nfs/dbraw/zinc/74/62/44/573746244.db2.gz	WZZRAWTWRWXIID-MWLCHTKSSA-N	0	0	196.315	3.064	10	0		AGAERN
c1cc2cc(C3CCCC3)cnc2[nH]1	238062390	573746587	/nfs/dbraw/zinc/74/65/87/573746587.db2.gz	GHJGVJMPJIIJJT-UHFFFAOYSA-N	0	0	186.258	3.221	10	0		AGAERN
C/C=C/[C@@H]1c2ccc(O)cc2C[C@@H]1C	238064441	573747871	/nfs/dbraw/zinc/74/78/71/573747871.db2.gz	KEIGFAHXSPWEFO-HUAUEDMRSA-N	0	0	188.270	3.244	10	0		AGAERN
Cc1cc2c(C)ccc(N)c2cc1C	238498346	573748215	/nfs/dbraw/zinc/74/82/15/573748215.db2.gz	MCWWVVFIEFDECT-UHFFFAOYSA-N	0	0	185.270	3.347	10	0		AGAERN
Cc1cc2c(C)ccc(C)c2cc1O	238498282	573748277	/nfs/dbraw/zinc/74/82/77/573748277.db2.gz	PWOWGVMFOPYOJN-UHFFFAOYSA-N	0	0	186.254	3.471	10	0		AGAERN
CCOCc1cc2c(C)cccc2o1	257863146	573748338	/nfs/dbraw/zinc/74/83/38/573748338.db2.gz	GBIYWYMUKAFEOL-UHFFFAOYSA-N	0	0	190.242	3.278	10	0		AGAERN
CC(C)[C@H](C)[C@H]1CCC(C)(C)C[C@@H]1O	717550514	573750756	/nfs/dbraw/zinc/75/07/56/573750756.db2.gz	MCWJLTCQUADNNP-TUAOUCFPSA-N	0	0	198.350	3.466	10	0		AGAERN
Cc1cc2c(C)c(Cl)ccc2[nH]1	238497842	573750757	/nfs/dbraw/zinc/75/07/57/573750757.db2.gz	IMVFQVZBIUPCRD-UHFFFAOYSA-N	0	0	179.650	3.438	10	0		AGAERN
CC(C)[C@H](C)[C@@H]1CCC(C)(C)C[C@@H]1O	717550513	573750780	/nfs/dbraw/zinc/75/07/80/573750780.db2.gz	MCWJLTCQUADNNP-SRVKXCTJSA-N	0	0	198.350	3.466	10	0		AGAERN
CNc1ccc(SCC(C)C)cc1	96888751	573750976	/nfs/dbraw/zinc/75/09/76/573750976.db2.gz	UTYMNIRANKWENS-UHFFFAOYSA-N	0	0	195.331	3.476	10	0		AGAERN
C/C=C/[C@@H]1c2ccc(O)cc2C[C@H]1C	238064689	573750986	/nfs/dbraw/zinc/75/09/86/573750986.db2.gz	KEIGFAHXSPWEFO-XDZSDZFDSA-N	0	0	188.270	3.244	10	0		AGAERN
CCc1cccc2ccc(C=O)cc12	143326464	573750988	/nfs/dbraw/zinc/75/09/88/573750988.db2.gz	DFOUPNUIOFHIKL-UHFFFAOYSA-N	0	0	184.238	3.215	10	0		AGAERN
Cc1cccc(OC2CCC2)c1C	238498268	573751151	/nfs/dbraw/zinc/75/11/51/573751151.db2.gz	SSYXWLZQAVRGEL-UHFFFAOYSA-N	0	0	176.259	3.235	10	0		AGAERN
Cc1ccc2c(c1)SC(C)(C)N2	238498037	573751161	/nfs/dbraw/zinc/75/11/61/573751161.db2.gz	PMVIWIBJVJEZEM-UHFFFAOYSA-N	0	0	179.288	3.249	10	0		AGAERN
Cc1cc2c(C)c(O)cc(C)c2o1	238497906	573751260	/nfs/dbraw/zinc/75/12/60/573751260.db2.gz	IFWCBSHIELYZFQ-UHFFFAOYSA-N	0	0	176.215	3.064	10	0		AGAERN
Cc1c(F)cc(C)c2oc(C=O)cc12	143327336	573751375	/nfs/dbraw/zinc/75/13/75/573751375.db2.gz	OCGRLIZWMLFDLW-UHFFFAOYSA-N	0	0	192.189	3.001	10	0		AGAERN
Cc1c(F)cnc(Cl)c1C(F)F	238496937	573751427	/nfs/dbraw/zinc/75/14/27/573751427.db2.gz	GQFJXWDQEJTHJJ-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
Cc1cc(OC2CCC2)c(C)cc1F	238496707	573751514	/nfs/dbraw/zinc/75/15/14/573751514.db2.gz	ZUFPBWFQQAPWNE-UHFFFAOYSA-N	0	0	194.249	3.374	10	0		AGAERN
c1ccc(N[C@H]2C[C@@H]3CC[C@H]2C3)cc1	98177033	573755086	/nfs/dbraw/zinc/75/50/86/573755086.db2.gz	SFCLMYIWOIJNAD-MDZLAQPJSA-N	0	0	187.286	3.287	10	0		AGAERN
CC[C@@H](CCCC(F)(F)F)[C@@H](C)O	122468496	573754170	/nfs/dbraw/zinc/75/41/70/573754170.db2.gz	OCRWDCPDLGEUBA-SFYZADRCSA-N	0	0	198.228	3.126	10	0		AGAERN
Cc1c(F)ncc(C(F)F)c1Cl	238498514	573754304	/nfs/dbraw/zinc/75/43/04/573754304.db2.gz	WJXPVIIPVSSTPF-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
CC(=O)c1cc(C(C)C)c(C)cc1O	143325758	573754526	/nfs/dbraw/zinc/75/45/26/573754526.db2.gz	UTMWGBGUGYJMIJ-UHFFFAOYSA-N	0	0	192.258	3.027	10	0		AGAERN
Cc1sc2c(O)cccc2c1C	238499657	573754601	/nfs/dbraw/zinc/75/46/01/573754601.db2.gz	PQKONXUSTZXFAH-UHFFFAOYSA-N	0	0	178.256	3.224	10	0		AGAERN
CC(C)(C)[C@H]1C[C@H]1c1ccccc1N	238097603	573754805	/nfs/dbraw/zinc/75/48/05/573754805.db2.gz	XRKREAAZXWZZQS-QWRGUYRKSA-N	0	0	189.302	3.418	10	0		AGAERN
C[C@H]1Nc2cc(Cl)ccc2S1	238499764	573755036	/nfs/dbraw/zinc/75/50/36/573755036.db2.gz	KSTXFNYCLPTHIZ-YFKPBYRVSA-N	0	0	185.679	3.204	10	0		AGAERN
Clc1cccc2c1NCCC21CC1	257868177	573755040	/nfs/dbraw/zinc/75/50/40/573755040.db2.gz	SNBGYBLFPAUDGP-UHFFFAOYSA-N	0	0	193.677	3.187	10	0		AGAERN
Cc1ccc2nc(C3CC3)sc2c1	238499302	573755133	/nfs/dbraw/zinc/75/51/33/573755133.db2.gz	PLGKYKABWXGKGP-UHFFFAOYSA-N	0	0	189.283	3.482	10	0		AGAERN
CCNc1cc(F)c(C)cc1Cl	259182628	573755221	/nfs/dbraw/zinc/75/52/21/573755221.db2.gz	VGMGJKWWYITUDK-UHFFFAOYSA-N	0	0	187.645	3.219	10	0		AGAERN
Oc1ccc([C@@H]2CC[C@H]2C(F)F)cc1	258120063	573755600	/nfs/dbraw/zinc/75/56/00/573755600.db2.gz	PKPLMPVRYDVPRT-VHSXEESVSA-N	0	0	198.212	3.151	10	0		AGAERN
Cc1cc2c(C)csc2cc1O	238498724	573755612	/nfs/dbraw/zinc/75/56/12/573755612.db2.gz	XDFQKTSSTYATHI-UHFFFAOYSA-N	0	0	178.256	3.224	10	0		AGAERN
CC1=CC[C@@](CO)([C@H](C)C(C)C)CC1	224648312	573755715	/nfs/dbraw/zinc/75/57/15/573755715.db2.gz	ZSJCFLFNSDPJTB-CHWSQXEVSA-N	0	0	196.334	3.387	10	0		AGAERN
Clc1ccccc1-c1cncs1	238504840	573755826	/nfs/dbraw/zinc/75/58/26/573755826.db2.gz	NNKRUZHOKUJLKF-UHFFFAOYSA-N	0	0	195.674	3.464	10	0		AGAERN
C/C=C1/CC[C@@H]2C(=O)CCC[C@@]12C	238077076	573756176	/nfs/dbraw/zinc/75/61/76/573756176.db2.gz	PBVSOVYHVQKTCT-GLVDQLAASA-N	0	0	178.275	3.102	10	0		AGAERN
C=C=CC[C@H](O)c1ccc(Cl)cc1	143432568	573756280	/nfs/dbraw/zinc/75/62/80/573756280.db2.gz	ATBYGOQMBKHVBM-NSHDSACASA-N	0	0	194.661	3.105	10	0		AGAERN
Cc1cnc(C(F)F)c(Cl)c1C	238505219	573756913	/nfs/dbraw/zinc/75/69/13/573756913.db2.gz	VORIWMHXDHGYBZ-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
C/C=C1/CC[C@H]2C(=O)CCC[C@]12C	238077392	573756922	/nfs/dbraw/zinc/75/69/22/573756922.db2.gz	PBVSOVYHVQKTCT-VMXBDPKJSA-N	0	0	178.275	3.102	10	0		AGAERN
C[C@]12CCC=C[C@@]1(C)CCCC2=O	238506475	573756930	/nfs/dbraw/zinc/75/69/30/573756930.db2.gz	LFCCQRZZOAOZIC-NWDGAFQWSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1cc(C)c2c(c1)[C@H]1CCC[C@@H]1N2	238506698	573756996	/nfs/dbraw/zinc/75/69/96/573756996.db2.gz	QCCQQPVVPFGQPV-PWSUYJOCSA-N	0	0	187.286	3.365	10	0		AGAERN
C[C@]12CC=CC[C@@]1(C)CCCC2=O	238506458	573757265	/nfs/dbraw/zinc/75/72/65/573757265.db2.gz	CSETZAIGJHUIKV-NWDGAFQWSA-N	0	0	178.275	3.102	10	0		AGAERN
C/C=C1/CC[C@@H]2CC(=O)CC[C@]12C	238077256	573757281	/nfs/dbraw/zinc/75/72/81/573757281.db2.gz	UTWKTQDNUZCLGG-HSWQGUFNSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1cc(C)c2c(c1)[C@@H]1CCC[C@H]1N2	238506673	573757385	/nfs/dbraw/zinc/75/73/85/573757385.db2.gz	QCCQQPVVPFGQPV-CMPLNLGQSA-N	0	0	187.286	3.365	10	0		AGAERN
CC(C)c1oc(N)nc1C1CCCC1	257866538	573757411	/nfs/dbraw/zinc/75/74/11/573757411.db2.gz	SFJHHHFYPWLOLP-UHFFFAOYSA-N	0	0	194.278	3.038	10	0		AGAERN
O=N[C@@H]1CC[C@@]1(Cl)c1ccccc1	238506538	573757566	/nfs/dbraw/zinc/75/75/66/573757566.db2.gz	XMSSOLLDJGMCRN-NXEZZACHSA-N	0	0	195.649	3.050	10	0		AGAERN
CC(C)(C)[C@H]1CC[C@@H](CCO)CC1	238092624	573768187	/nfs/dbraw/zinc/76/81/87/573768187.db2.gz	LVWFWKJPBMEXQY-XYPYZODXSA-N	0	0	184.323	3.221	10	0		AGAERN
Cc1c(O)ccc2c(C3CC3)c[nH]c12	238509984	573768457	/nfs/dbraw/zinc/76/84/57/573768457.db2.gz	QJCTXKRGUHOCHG-UHFFFAOYSA-N	0	0	187.242	3.059	10	0		AGAERN
CC(C)(C)[C@H]1Cc2ccc(F)cc2N1	108341059	573768486	/nfs/dbraw/zinc/76/84/86/573768486.db2.gz	ABFIIGCNXQVWMC-LLVKDONJSA-N	0	0	193.265	3.208	10	0		AGAERN
Cc1cc([C@H]2C[C@@H]2C)cc(C)c1N	238509786	573770024	/nfs/dbraw/zinc/77/00/24/573770024.db2.gz	FHUHSYNESNYIHI-CPCISQLKSA-N	0	0	175.275	3.009	10	0		AGAERN
CC(C)(C)[C@H]1C[C@@H]1c1cscc1N	238096631	573769563	/nfs/dbraw/zinc/76/95/63/573769563.db2.gz	TVDIVMNHVGCFIC-APPZFPTMSA-N	0	0	195.331	3.480	10	0		AGAERN
CC(C)(C)[C@@H]1Cc2ccc(F)cc2N1	108341057	573769726	/nfs/dbraw/zinc/76/97/26/573769726.db2.gz	ABFIIGCNXQVWMC-NSHDSACASA-N	0	0	193.265	3.208	10	0		AGAERN
CC(C)(C)c1cc2c(O)cccc2[nH]1	108340529	573769975	/nfs/dbraw/zinc/76/99/75/573769975.db2.gz	AONJSNMKXLFZOP-UHFFFAOYSA-N	0	0	189.258	3.171	10	0		AGAERN
CC(C)(C)c1cc2cc(O)ccc2[nH]1	108340521	573770020	/nfs/dbraw/zinc/77/00/20/573770020.db2.gz	PBMZKVLWKYYHOA-UHFFFAOYSA-N	0	0	189.258	3.171	10	0		AGAERN
CCCCO[C@@H](C)c1ccc(N)cc1	40909206	573773345	/nfs/dbraw/zinc/77/33/45/573773345.db2.gz	UXPJMZWEAIXIPI-JTQLQIEISA-N	0	0	193.290	3.147	10	0		AGAERN
CC(C)(C)[C@H]1CCC2=C(CC[C@@H]2O)C1	238101513	573773570	/nfs/dbraw/zinc/77/35/70/573773570.db2.gz	HXODUXKVNRVDRX-JQWIXIFHSA-N	0	0	194.318	3.284	10	0		AGAERN
Oc1cccc([C@H]2CC[C@H]2C(F)F)c1	258127805	573773893	/nfs/dbraw/zinc/77/38/93/573773893.db2.gz	QBBOFKHYPXYXML-NXEZZACHSA-N	0	0	198.212	3.151	10	0		AGAERN
Oc1cccc([C@@H]2CC[C@H]2C(F)F)c1	258127821	573773962	/nfs/dbraw/zinc/77/39/62/573773962.db2.gz	QBBOFKHYPXYXML-VHSXEESVSA-N	0	0	198.212	3.151	10	0		AGAERN
Cc1ccc2[nH]ccc2c1C1CC1	238511453	573775067	/nfs/dbraw/zinc/77/50/67/573775067.db2.gz	ZJRUTMXCZBZSLJ-UHFFFAOYSA-N	0	0	171.243	3.354	10	0		AGAERN
Oc1cccc([C@H]2CC[C@@H]2C(F)F)c1	258127828	573775359	/nfs/dbraw/zinc/77/53/59/573775359.db2.gz	QBBOFKHYPXYXML-ZJUUUORDSA-N	0	0	198.212	3.151	10	0		AGAERN
Cc1c(F)ccc(OC2CCC2)c1F	238503361	573781897	/nfs/dbraw/zinc/78/18/97/573781897.db2.gz	VDBZGVHYVIUKQK-UHFFFAOYSA-N	0	0	198.212	3.205	10	0		AGAERN
Cc1ccc(C)c(OC/C=C/Cl)c1	84147665	573782045	/nfs/dbraw/zinc/78/20/45/573782045.db2.gz	RTWGPHUPLNKISD-ZZXKWVIFSA-N	0	0	196.677	3.435	10	0		AGAERN
Cc1c(F)ccc2c(C3CC3)c[nH]c12	238503546	573782236	/nfs/dbraw/zinc/78/22/36/573782236.db2.gz	HOCSHQNOPGXDMA-UHFFFAOYSA-N	0	0	189.233	3.493	10	0		AGAERN
Cc1ccc(F)c2[nH]cc(C3CC3)c12	238503648	573782294	/nfs/dbraw/zinc/78/22/94/573782294.db2.gz	HOALAFIQWNYGNV-UHFFFAOYSA-N	0	0	189.233	3.493	10	0		AGAERN
CNc1ccc(CC2CCC2)cc1	259186695	573784471	/nfs/dbraw/zinc/78/44/71/573784471.db2.gz	QWRYWRCUHJUXNY-UHFFFAOYSA-N	0	0	175.275	3.071	10	0		AGAERN
Nc1cccc(C(F)(F)C2CCC2)c1	258946440	573784513	/nfs/dbraw/zinc/78/45/13/573784513.db2.gz	DGBGJAOHWVMKNZ-UHFFFAOYSA-N	0	0	197.228	3.161	10	0		AGAERN
CC(C)=C(C)C[C@H](O)c1ccco1	238111997	573783991	/nfs/dbraw/zinc/78/39/91/573783991.db2.gz	AOJOLEKVZDJQTF-JTQLQIEISA-N	0	0	180.247	3.059	10	0		AGAERN
CC(C)(C)O/C(Cl)=C/Cl	238110988	573784419	/nfs/dbraw/zinc/78/44/19/573784419.db2.gz	OVDDQNPBEFZCQI-SNAWJCMRSA-N	0	0	169.051	3.078	10	0		AGAERN
Cc1cc(Cl)nc(F)c1C(F)F	238517714	573787217	/nfs/dbraw/zinc/78/72/17/573787217.db2.gz	QQDTXRXDRQCAAG-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
Cc1c[nH]c2ccc3ncccc3c12	238520742	573794397	/nfs/dbraw/zinc/79/43/97/573794397.db2.gz	QCWHKEWZNRCVNJ-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
C=Cc1cc(C)ccc1[C@@H](C)CCO	308442798	573794410	/nfs/dbraw/zinc/79/44/10/573794410.db2.gz	HGFZWZSOAJPHEO-NSHDSACASA-N	0	0	190.286	3.124	10	0		AGAERN
CSCCCC(C)(C)CC(C)=O	131229553	573794617	/nfs/dbraw/zinc/79/46/17/573794617.db2.gz	IIJINANMGPLUSQ-UHFFFAOYSA-N	0	0	188.336	3.135	10	0		AGAERN
CC1=CCC(=C(C)C)[C@@H](CCO)C1	238119647	573794740	/nfs/dbraw/zinc/79/47/40/573794740.db2.gz	VWBCTNARUZCDJY-NSHDSACASA-N	0	0	180.291	3.062	10	0		AGAERN
CC(C)=C1CCC(=O)C(C)(C)C1	238120104	573794864	/nfs/dbraw/zinc/79/48/64/573794864.db2.gz	FNMIAICBVCPQTG-UHFFFAOYSA-N	0	0	166.264	3.102	10	0		AGAERN
C/C(=C\[C@@H](C)O)[C@@H](C)c1ccccc1	308442772	573795337	/nfs/dbraw/zinc/79/53/37/573795337.db2.gz	HCUISVHLEFSSJN-CZHKVUGUSA-N	0	0	190.286	3.117	10	0		AGAERN
Fc1cccc2c1NCC[C@H]2C1CC1	257878339	573795379	/nfs/dbraw/zinc/79/53/79/573795379.db2.gz	UZTUYQMWUXXRHZ-VIFPVBQESA-N	0	0	191.249	3.135	10	0		AGAERN
C/C(=C\[C@@H](C)O)c1ccc(Cl)cc1	388438526	573795496	/nfs/dbraw/zinc/79/54/96/573795496.db2.gz	RRYDMOPNXMXLMK-FCZSHJHJSA-N	0	0	196.677	3.124	10	0		AGAERN
C/C=C\[C@H](C)C[C@@H](O)c1ccccc1	308442725	573795551	/nfs/dbraw/zinc/79/55/51/573795551.db2.gz	GXQJLLXBWRJFCF-NQUYYZCGSA-N	0	0	190.286	3.322	10	0		AGAERN
Cc1cc([C@H]2CC2(C)C)cc(C)c1N	238521189	573795603	/nfs/dbraw/zinc/79/56/03/573795603.db2.gz	JYWYVGXZNCLYRS-LLVKDONJSA-N	0	0	189.302	3.399	10	0		AGAERN
Cc1ccc2c(Cl)c[nH]c2c1C	238520743	573795904	/nfs/dbraw/zinc/79/59/04/573795904.db2.gz	JPYZUHZMYDJAOL-UHFFFAOYSA-N	0	0	179.650	3.438	10	0		AGAERN
O=C1CC=CCCC=CCCCC1	388437546	573795983	/nfs/dbraw/zinc/79/59/83/573795983.db2.gz	QPNRIQZDIQJREU-UHFFFAOYSA-N	0	0	178.275	3.412	10	0		AGAERN
Cc1ccc2c(Cl)c[nH]c2c1F	238520827	573796096	/nfs/dbraw/zinc/79/60/96/573796096.db2.gz	QJUBGQSHTGKADD-UHFFFAOYSA-N	0	0	183.613	3.269	10	0		AGAERN
CC(C)(C)[C@H]1CCc2c[nH]cc2C1	238102583	573796143	/nfs/dbraw/zinc/79/61/43/573796143.db2.gz	GJDMYPRLLJOLGK-NSHDSACASA-N	0	0	177.291	3.166	10	0		AGAERN
COc1c(C)sc2ccccc12	78638485	573796147	/nfs/dbraw/zinc/79/61/47/573796147.db2.gz	WRRYOVADKGPIBL-UHFFFAOYSA-N	0	0	178.256	3.218	10	0		AGAERN
CSCc1coc2ccc(F)cc12	258134624	573804088	/nfs/dbraw/zinc/80/40/88/573804088.db2.gz	VJVBDDDSKDXQNV-UHFFFAOYSA-N	0	0	196.246	3.435	10	0		AGAERN
CCC(CC)[C@@H]1CCCCC1=O	87158143	573804170	/nfs/dbraw/zinc/80/41/70/573804170.db2.gz	QVMAJESUGRGOMJ-JTQLQIEISA-N	0	0	168.280	3.182	10	0		AGAERN
Cc1ccc2ccc(N)c(C)c2c1	238528136	573804196	/nfs/dbraw/zinc/80/41/96/573804196.db2.gz	LWYKDEBTHXOMBY-UHFFFAOYSA-N	0	0	171.243	3.039	10	0		AGAERN
CCC[C@H](C)Nc1cc(C)ccc1N	87149482	573804338	/nfs/dbraw/zinc/80/43/38/573804338.db2.gz	CWZBISVFOSCMRC-JTQLQIEISA-N	0	0	192.306	3.178	10	0		AGAERN
CCC(CC)[C@@H]1C[C@@H](C)CC[C@@H]1O	87171669	573805264	/nfs/dbraw/zinc/80/52/64/573805264.db2.gz	OXKPCSBYBHLGMP-DLOVCJGASA-N	0	0	184.323	3.220	10	0		AGAERN
CC(=O)CC(F)(F)c1ccc(C)cc1	257877885	573804559	/nfs/dbraw/zinc/80/45/59/573804559.db2.gz	RMHUBDUFQXDAAM-UHFFFAOYSA-N	0	0	198.212	3.066	10	0		AGAERN
CC(C)=C1CCC2=C[C@@H](O)CC[C@H]2C1	238128438	573804598	/nfs/dbraw/zinc/80/45/98/573804598.db2.gz	JZVSJBUSXKTMJG-AAEUAGOBSA-N	0	0	192.302	3.204	10	0		AGAERN
CC(=O)C[C@H]1CCC2=C1CCCC2	238128716	573804742	/nfs/dbraw/zinc/80/47/42/573804742.db2.gz	BDOULBFOFQRBFO-LLVKDONJSA-N	0	0	178.275	3.246	10	0		AGAERN
O=C(CCCC1CC1)C1CCCC1	127240831	573805058	/nfs/dbraw/zinc/80/50/58/573805058.db2.gz	FRURNBXYEPLXDH-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
CC(C)(C)/C=C1\C[C@@H]2CCC(=O)[C@H]2C1	33844990	573805177	/nfs/dbraw/zinc/80/51/77/573805177.db2.gz	RDFQBUYFFVKJRJ-WRSFFWLLSA-N	0	0	192.302	3.348	10	0		AGAERN
Cc1ccc2c(C)c(C)c(O)cc2c1	238516205	573806897	/nfs/dbraw/zinc/80/68/97/573806897.db2.gz	CSJZGDXIPJOEKG-UHFFFAOYSA-N	0	0	186.254	3.471	10	0		AGAERN
Cc1cccc(C)c2c(C=O)ccc1-2	238516358	573806904	/nfs/dbraw/zinc/80/69/04/573806904.db2.gz	SLJQRKSOYUGURB-UHFFFAOYSA-N	0	0	184.238	3.221	10	0		AGAERN
Cc1cccc(C=O)c1CC(C)(C)C	238516639	573807183	/nfs/dbraw/zinc/80/71/83/573807183.db2.gz	AXWGFCMCBJLSDN-UHFFFAOYSA-N	0	0	190.286	3.396	10	0		AGAERN
Cc1ccc2c(C)c(C)oc2c1O	238516268	573807266	/nfs/dbraw/zinc/80/72/66/573807266.db2.gz	VKOYBEYYNARBSV-UHFFFAOYSA-N	0	0	176.215	3.064	10	0		AGAERN
C=C/C=C\CCC[C@H](O)/C=C/C=C/C	308443613	573807558	/nfs/dbraw/zinc/80/75/58/573807558.db2.gz	IRXBAOKCNUPLFR-IRTWQGEGSA-N	0	0	192.302	3.392	10	0		AGAERN
CCC(CC)[C@@]1(O)CCC[C@@H](C)C1	87158309	573807579	/nfs/dbraw/zinc/80/75/79/573807579.db2.gz	XTVBOHLEAJVWIT-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CCC(F)(F)c1ccc2ncoc2c1	258956081	573808358	/nfs/dbraw/zinc/80/83/58/573808358.db2.gz	FYNXFXQSSVCIEA-UHFFFAOYSA-N	0	0	197.184	3.330	10	0		AGAERN
C=Cc1ccc2cccc(C)c2n1	209747780	573807653	/nfs/dbraw/zinc/80/76/53/573807653.db2.gz	IZLJAVISJYLALD-UHFFFAOYSA-N	0	0	169.227	3.186	10	0		AGAERN
CCC(CC)C1(O)CCC(C)CC1	87158313	573807682	/nfs/dbraw/zinc/80/76/82/573807682.db2.gz	XZZCGNDATTUKPY-UHFFFAOYSA-N	0	0	184.323	3.364	10	0		AGAERN
CSc1cc(C)c(C)c(C(C)=O)c1	258136247	573807777	/nfs/dbraw/zinc/80/77/77/573807777.db2.gz	SAOPZTCFZOMYHR-UHFFFAOYSA-N	0	0	194.299	3.228	10	0		AGAERN
CCC(CC)C(=O)C(C)(C)C	87169182	573807850	/nfs/dbraw/zinc/80/78/50/573807850.db2.gz	REEBAVRLLRFNEP-UHFFFAOYSA-N	0	0	156.269	3.038	10	0		AGAERN
CC(C)(C)c1ccc(N=O)c(O)c1	238123281	573807905	/nfs/dbraw/zinc/80/79/05/573807905.db2.gz	YCCSGSQPQJTXBS-UHFFFAOYSA-N	0	0	179.219	3.088	10	0		AGAERN
CC(C)SCc1cn(C(C)C)cn1	258137033	573807917	/nfs/dbraw/zinc/80/79/17/573807917.db2.gz	KPRCSHDYQHEOKO-UHFFFAOYSA-N	0	0	198.335	3.106	10	0		AGAERN
CCC(CC)C(=O)[C@@H](C)CC	87169248	573807951	/nfs/dbraw/zinc/80/79/51/573807951.db2.gz	FRSKENOMDGXDEK-QMMMGPOBSA-N	0	0	156.269	3.038	10	0		AGAERN
CC(C)=C1C[C@@H]1c1ccc(C=O)cc1	238123827	573807992	/nfs/dbraw/zinc/80/79/92/573807992.db2.gz	OIVMUNHYKFVDIF-CYBMUJFWSA-N	0	0	186.254	3.323	10	0		AGAERN
CC(=O)C[C@@]1(C)CCC=C(C)C1	238122674	573808140	/nfs/dbraw/zinc/80/81/40/573808140.db2.gz	NRFCEQAPRGYXPR-NSHDSACASA-N	0	0	166.264	3.102	10	0		AGAERN
CCC(CC)[C@@]1(O)CCCC[C@H]1C	87158336	573808182	/nfs/dbraw/zinc/80/81/82/573808182.db2.gz	JNUUYLCCOIUEED-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
Cc1ccc2cccc(C)c2c1N	238528720	573810225	/nfs/dbraw/zinc/81/02/25/573810225.db2.gz	PAEACNWRERSBKU-UHFFFAOYSA-N	0	0	171.243	3.039	10	0		AGAERN
C/C(=C/[C@H](C)c1ccccc1)[C@@H](C)O	308443858	573810357	/nfs/dbraw/zinc/81/03/57/573810357.db2.gz	JEMKQWHGUUAAQM-QMZLHQMTSA-N	0	0	190.286	3.117	10	0		AGAERN
Cc1ccc2cccc(Cl)c2c1N	238528867	573810437	/nfs/dbraw/zinc/81/04/37/573810437.db2.gz	BEQHLVUFTDNJLP-UHFFFAOYSA-N	0	0	191.661	3.384	10	0		AGAERN
Cc1ccc(O)c(CCC(C)C)c1	238128820	573810453	/nfs/dbraw/zinc/81/04/53/573810453.db2.gz	GTLZTZIVIACOQB-UHFFFAOYSA-N	0	0	178.275	3.289	10	0		AGAERN
CCC(CC)c1cc(Cl)cnc1N	87174379	573810582	/nfs/dbraw/zinc/81/05/82/573810582.db2.gz	FPPXWTKFAOQVDS-UHFFFAOYSA-N	0	0	198.697	3.221	10	0		AGAERN
FC(F)c1ccncc1C(F)(F)F	238529265	573810693	/nfs/dbraw/zinc/81/06/93/573810693.db2.gz	PNOVJGRPYLSJDH-UHFFFAOYSA-N	0	0	197.106	3.038	10	0		AGAERN
Cc1cc(-c2c[nH]cn2)ccc1Cl	238530178	573810701	/nfs/dbraw/zinc/81/07/01/573810701.db2.gz	IYCXGKBHFHZENW-UHFFFAOYSA-N	0	0	192.649	3.039	10	0		AGAERN
Cc1ccc2ccc(O)cc2c1C	238528444	573810909	/nfs/dbraw/zinc/81/09/09/573810909.db2.gz	ULKNZGNWANVAHO-UHFFFAOYSA-N	0	0	172.227	3.162	10	0		AGAERN
CCC(CC)[C@@H]1CCC(=O)[C@@H]1C	87174552	573813903	/nfs/dbraw/zinc/81/39/03/573813903.db2.gz	BEJAXOMMSQAUPQ-PSASIEDQSA-N	0	0	168.280	3.038	10	0		AGAERN
C=Cc1cccc2c(C=O)csc12	238131905	573813988	/nfs/dbraw/zinc/81/39/88/573813988.db2.gz	OBSKCVUUJDKJJZ-UHFFFAOYSA-N	0	0	188.251	3.357	10	0		AGAERN
C=Cc1ccc([C@@H]2CCCC2=O)cc1	238134624	573814033	/nfs/dbraw/zinc/81/40/33/573814033.db2.gz	YTGRQSLZZOXVOQ-LBPRGKRZSA-N	0	0	186.254	3.166	10	0		AGAERN
CCC(CC)[C@@H]1CCCC[C@@H](O)C1	87175056	573814304	/nfs/dbraw/zinc/81/43/04/573814304.db2.gz	VZMKFDFGLRUVKP-VXGBXAGGSA-N	0	0	184.323	3.364	10	0		AGAERN
C=C(C=C(C)C)c1ccccc1CO	238133633	573814344	/nfs/dbraw/zinc/81/43/44/573814344.db2.gz	ZERXBSSZEDTUPT-UHFFFAOYSA-N	0	0	188.270	3.158	10	0		AGAERN
CC(C)=C1C[C@H]1c1ccc(C=O)cc1	238124407	573814418	/nfs/dbraw/zinc/81/44/18/573814418.db2.gz	OIVMUNHYKFVDIF-ZDUSSCGKSA-N	0	0	186.254	3.323	10	0		AGAERN
CCC(CC)[C@H]1CCCC[C@@H](O)C1	87175058	573814446	/nfs/dbraw/zinc/81/44/46/573814446.db2.gz	VZMKFDFGLRUVKP-NWDGAFQWSA-N	0	0	184.323	3.364	10	0		AGAERN
Nc1cccc([C@@H](C(F)F)C2CC2)c1	258141779	573814462	/nfs/dbraw/zinc/81/44/62/573814462.db2.gz	RBBGTSUKRKSQNE-JTQLQIEISA-N	0	0	197.228	3.028	10	0		AGAERN
Cc1cc2sncc2cc1Cl	238525484	573826045	/nfs/dbraw/zinc/82/60/45/573826045.db2.gz	CEFOKTUYFPMZJH-UHFFFAOYSA-N	0	0	183.663	3.258	10	0		AGAERN
O=C1CC(c2ccc3ccccc3c2)C1	87199179	573823244	/nfs/dbraw/zinc/82/32/44/573823244.db2.gz	HVZZHHJGLFXJSS-UHFFFAOYSA-N	0	0	196.249	3.286	10	0		AGAERN
CC[C@@H](CO)c1ccc(C)c(C)c1C	259203398	573823295	/nfs/dbraw/zinc/82/32/95/573823295.db2.gz	LBZFMRVZONYGMM-LBPRGKRZSA-N	0	0	192.302	3.098	10	0		AGAERN
CCCc1ccc(C2CC(=O)C2)cc1	87199145	573823297	/nfs/dbraw/zinc/82/32/97/573823297.db2.gz	CKHGZZKPNBJKNU-UHFFFAOYSA-N	0	0	188.270	3.086	10	0		AGAERN
C=Cc1cc(C)c(F)c(C)c1	87198250	573823302	/nfs/dbraw/zinc/82/33/02/573823302.db2.gz	QHRQXTCFPROMJP-UHFFFAOYSA-N	0	0	150.196	3.086	10	0		AGAERN
CCC[C@H](C)CNc1c(C)noc1C	308752574	573823304	/nfs/dbraw/zinc/82/33/04/573823304.db2.gz	UZMKNPLCASUXOC-QMMMGPOBSA-N	0	0	196.294	3.140	10	0		AGAERN
Cc1[nH]c(=S)[nH]c1-c1cccs1	87200435	573823327	/nfs/dbraw/zinc/82/33/27/573823327.db2.gz	IDGMYJJURYVJGD-UHFFFAOYSA-N	0	0	196.300	3.109	10	0		AGAERN
CCC1([C@H](O)CC2CCCC2)CC1	393592779	573823340	/nfs/dbraw/zinc/82/33/40/573823340.db2.gz	YCZVDDJJJPHEHA-LLVKDONJSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1ccc2cc(Cl)[nH]c2c1C	238525962	573823485	/nfs/dbraw/zinc/82/34/85/573823485.db2.gz	TWAWERCHWMQHOJ-UHFFFAOYSA-N	0	0	179.650	3.438	10	0		AGAERN
Cc1cnc(F)c(C(F)F)c1Cl	238525694	573823815	/nfs/dbraw/zinc/82/38/15/573823815.db2.gz	HQFXODLSUFLCIS-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
CCC1([C@@H](O)CC2CCCC2)CC1	393592780	573823834	/nfs/dbraw/zinc/82/38/34/573823834.db2.gz	YCZVDDJJJPHEHA-NSHDSACASA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1cc(F)c(Cl)c(C(F)F)n1	238524762	573826344	/nfs/dbraw/zinc/82/63/44/573826344.db2.gz	AUVFFLQMGDTHPI-UHFFFAOYSA-N	0	0	195.571	3.120	10	0		AGAERN
Cc1ccc2cc(C)c(O)c(C)c2c1	238525128	573826413	/nfs/dbraw/zinc/82/64/13/573826413.db2.gz	XOOZAXJOLKKPPO-UHFFFAOYSA-N	0	0	186.254	3.471	10	0		AGAERN
C/C(=C\C/C=C/CO)c1ccccc1	308444519	573826455	/nfs/dbraw/zinc/82/64/55/573826455.db2.gz	KASQLYIMNYFIJT-SVCVZBQWSA-N	0	0	188.270	3.029	10	0		AGAERN
Cc1ccc2cc(C)c(N)cc2c1	238525085	573826712	/nfs/dbraw/zinc/82/67/12/573826712.db2.gz	ZBLVQYFZLZQFGN-UHFFFAOYSA-N	0	0	171.243	3.039	10	0		AGAERN
C/C(=C\Br)CC(C)C	238129251	573826778	/nfs/dbraw/zinc/82/67/78/573826778.db2.gz	RJVBZBPBVHTIMF-FNORWQNLSA-N	0	0	177.085	3.331	10	0		AGAERN
FC(F)c1ccnc(C(F)(F)F)c1	238526031	573826801	/nfs/dbraw/zinc/82/68/01/573826801.db2.gz	IXAOHSSCPOHUTG-UHFFFAOYSA-N	0	0	197.106	3.038	10	0		AGAERN
CC(C)C[C@H]1CC[C@H](C)CC1=O	238148914	573830390	/nfs/dbraw/zinc/83/03/90/573830390.db2.gz	FDWDTINGCGFVIS-VHSXEESVSA-N	0	0	168.280	3.038	10	0		AGAERN
C=CC(=C)c1ccccc1C(C)=O	238148548	573830446	/nfs/dbraw/zinc/83/04/46/573830446.db2.gz	YRNSTYIRWZMGHS-UHFFFAOYSA-N	0	0	172.227	3.088	10	0		AGAERN
CC(C)C[C@H]1CC[C@H](C)C(=O)C1	238148864	573830756	/nfs/dbraw/zinc/83/07/56/573830756.db2.gz	HFYUXVMWJQNCPR-VHSXEESVSA-N	0	0	168.280	3.038	10	0		AGAERN
Cc1cc2ncc3ccccc3c2[nH]1	238526798	573830839	/nfs/dbraw/zinc/83/08/39/573830839.db2.gz	VLJIERYOFONVCO-UHFFFAOYSA-N	0	0	182.226	3.025	10	0		AGAERN
Cc1cccc2c1NC[C@@H]1CCC[C@H]21	238531517	573830916	/nfs/dbraw/zinc/83/09/16/573830916.db2.gz	VOQKIAUUTFJLFK-QWRGUYRKSA-N	0	0	187.286	3.304	10	0		AGAERN
C[C@@H](O)c1csc2c(F)cccc12	258142125	573830989	/nfs/dbraw/zinc/83/09/89/573830989.db2.gz	KVYRZMDGKDFOHM-ZCFIWIBFSA-N	0	0	196.246	3.094	10	0		AGAERN
COc1ccc2c(c1)NC(C)(C)[C@H]2C	258142081	573830996	/nfs/dbraw/zinc/83/09/96/573830996.db2.gz	KURCLCSOVJBYRU-QMMMGPOBSA-N	0	0	191.274	3.003	10	0		AGAERN
Cc1cccc(F)c1OC1CCCC1	238526899	573831012	/nfs/dbraw/zinc/83/10/12/573831012.db2.gz	FEHUTFJYDNFGEN-UHFFFAOYSA-N	0	0	194.249	3.456	10	0		AGAERN
CC(C)(C)CC1=CCCCC[C@H]1O	238146373	573831103	/nfs/dbraw/zinc/83/11/03/573831103.db2.gz	VLVZLOQJXBCAAZ-LLVKDONJSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(=O)c1ccccc1[C@H]1CC1(F)F	258150960	573831294	/nfs/dbraw/zinc/83/12/94/573831294.db2.gz	RZCQDGBDOZFINJ-SNVBAGLBSA-N	0	0	196.196	3.012	10	0		AGAERN
CCc1cc(C)c(O)cc1C(C)C	224703200	573831347	/nfs/dbraw/zinc/83/13/47/573831347.db2.gz	UMJMWRTZFGXHLX-UHFFFAOYSA-N	0	0	178.275	3.386	10	0		AGAERN
CC(=O)[C@@H]1C[C@H]1C1CCCCCC1	84328325	573831374	/nfs/dbraw/zinc/83/13/74/573831374.db2.gz	URNPYRCZEMSYRS-RYUDHWBXSA-N	0	0	180.291	3.182	10	0		AGAERN
C/C=C(/CC)C(=O)OCCCCC	308451016	573831412	/nfs/dbraw/zinc/83/14/12/573831412.db2.gz	DKHAXAJFOMYJRX-YHYXMXQVSA-N	0	0	184.279	3.076	10	0		AGAERN
Cc1ccc2cnsc2c1Cl	238531516	573831446	/nfs/dbraw/zinc/83/14/46/573831446.db2.gz	UIOIEXVBMPWNBT-UHFFFAOYSA-N	0	0	183.663	3.258	10	0		AGAERN
CC(C)(C)[C@@H](O)[C@H]1C=CC=CC1(C)C	238149056	573831455	/nfs/dbraw/zinc/83/14/55/573831455.db2.gz	FCMNYBQTFPNDOV-MNOVXSKESA-N	0	0	194.318	3.162	10	0		AGAERN
CC(C)C[C@H]1CC[C@@H](C)C(=O)C1	238148581	573831482	/nfs/dbraw/zinc/83/14/82/573831482.db2.gz	HFYUXVMWJQNCPR-NXEZZACHSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)(C)[C@@H](O)[C@@H]1C=CC=CC1(C)C	238148340	573831578	/nfs/dbraw/zinc/83/15/78/573831578.db2.gz	FCMNYBQTFPNDOV-QWRGUYRKSA-N	0	0	194.318	3.162	10	0		AGAERN
C[C@H](O)c1csc2c(F)cccc12	258142124	573831699	/nfs/dbraw/zinc/83/16/99/573831699.db2.gz	KVYRZMDGKDFOHM-LURJTMIESA-N	0	0	196.246	3.094	10	0		AGAERN
CC(C)(C)CC1=CCCCC[C@@H]1O	238146348	573831740	/nfs/dbraw/zinc/83/17/40/573831740.db2.gz	VLVZLOQJXBCAAZ-NSHDSACASA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)=CCC[C@](C)(O)C(C)C	222175142	573831937	/nfs/dbraw/zinc/83/19/37/573831937.db2.gz	RTHOUNTWKLGKNE-NSHDSACASA-N	0	0	170.296	3.140	10	0		AGAERN
COCc1cc2c(F)cccc2s1	258142683	573832202	/nfs/dbraw/zinc/83/22/02/573832202.db2.gz	VYERXTAOPPPWQR-UHFFFAOYSA-N	0	0	196.246	3.187	10	0		AGAERN
C/C(=C\C1CCCCCC1)[N+](=O)[O-]	84328574	573832332	/nfs/dbraw/zinc/83/23/32/573832332.db2.gz	QXDUJIZWLZPIAQ-CMDGGOBGSA-N	0	0	183.251	3.137	10	0		AGAERN
CC(C)SCc1ccc(N)c(F)c1	87225792	573832407	/nfs/dbraw/zinc/83/24/07/573832407.db2.gz	WWULWMFYAWEDTB-UHFFFAOYSA-N	0	0	199.294	3.050	10	0		AGAERN
CC(=O)[C@H]1C[C@@H]1C1CCCCCC1	84328323	573832453	/nfs/dbraw/zinc/83/24/53/573832453.db2.gz	URNPYRCZEMSYRS-VXGBXAGGSA-N	0	0	180.291	3.182	10	0		AGAERN
Cc1cccc(NC(C)(C)C)c1C=O	238533563	573835250	/nfs/dbraw/zinc/83/52/50/573835250.db2.gz	GOWOOWSNRCKJEH-UHFFFAOYSA-N	0	0	191.274	3.018	10	0		AGAERN
C=C=CC(C)(C)[C@H]1CCCC(=O)C1	238155316	573835324	/nfs/dbraw/zinc/83/53/24/573835324.db2.gz	JBWVBAZEKTXKEK-JTQLQIEISA-N	0	0	178.275	3.113	10	0		AGAERN
CC(=O)[C@@H]1C[C@H]1C1CCC(C)CC1	84331053	573835499	/nfs/dbraw/zinc/83/54/99/573835499.db2.gz	FMMFWNFEFDXAAC-XLSSUDTFSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(=O)c1coc2cccc(Cl)c12	238155338	573835634	/nfs/dbraw/zinc/83/56/34/573835634.db2.gz	JFLSDVCTMBANOK-UHFFFAOYSA-N	0	0	194.617	3.289	10	0		AGAERN
CC[C@H](C)C1(O)CCCCCC1	84331902	573835839	/nfs/dbraw/zinc/83/58/39/573835839.db2.gz	WEGGEKVGDNLGJN-JTQLQIEISA-N	0	0	170.296	3.118	10	0		AGAERN
CCC(CC)CC[NH2+]Cc1ccoc1	308762579	573837383	/nfs/dbraw/zinc/83/73/83/573837383.db2.gz	YTZLKTHMMINFLW-UHFFFAOYSA-N	0	0	195.306	3.196	10	0		AGAERN
CC(C)(C)CCC[C@]1(O)CC[C@@H]2C[C@@H]21	308448628	573837558	/nfs/dbraw/zinc/83/75/58/573837558.db2.gz	BMRDYEOHCZLTOG-MDZLAQPJSA-N	0	0	196.334	3.364	10	0		AGAERN
C/C(=C/C=C/c1ccccc1)[C@H](C)O	308449258	573837743	/nfs/dbraw/zinc/83/77/43/573837743.db2.gz	RSWOLBRJTOGNKY-LUNAHTCUSA-N	0	0	188.270	3.027	10	0		AGAERN
Cc1cccc(NCCC(C)(F)F)c1	238534132	573837781	/nfs/dbraw/zinc/83/77/81/573837781.db2.gz	RVCJQJXKPJETPU-UHFFFAOYSA-N	0	0	199.244	3.452	10	0		AGAERN
Cc1ccc([C@H]2CC2(C)C)c(N)c1	238535395	573837794	/nfs/dbraw/zinc/83/77/94/573837794.db2.gz	OQNCMBWUYDFMEB-SNVBAGLBSA-N	0	0	175.275	3.091	10	0		AGAERN
CC(=O)[C@@H]1C[C@@H]1C1CCC(C)CC1	84331055	573837829	/nfs/dbraw/zinc/83/78/29/573837829.db2.gz	FMMFWNFEFDXAAC-YRVPGANGSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(=O)[C@H]1C[C@H]1C1CCC(C)CC1	84331049	573837851	/nfs/dbraw/zinc/83/78/51/573837851.db2.gz	FMMFWNFEFDXAAC-PPUYLDTBSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(C)C[C@@H]1CCCC(=O)CC1	238156128	573837956	/nfs/dbraw/zinc/83/79/56/573837956.db2.gz	BRVWGNNVMXZITR-SNVBAGLBSA-N	0	0	168.280	3.182	10	0		AGAERN
CC1CCC(c2ncsc2N)CC1	84339304	573837958	/nfs/dbraw/zinc/83/79/58/573837958.db2.gz	DVPCLXSWMOWNPH-UHFFFAOYSA-N	0	0	196.319	3.019	10	0		AGAERN
CC(C)C[C@@H]1CC[C@H](C)C(=O)C1	238156760	573841730	/nfs/dbraw/zinc/84/17/30/573841730.db2.gz	HFYUXVMWJQNCPR-UWVGGRQHSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)(C)[C@@H]1C[C@H]1c1ccccc1N	238157597	573841791	/nfs/dbraw/zinc/84/17/91/573841791.db2.gz	XRKREAAZXWZZQS-WDEREUQCSA-N	0	0	189.302	3.418	10	0		AGAERN
Cc1cc(Cl)c2cnsc2c1	238534510	573841893	/nfs/dbraw/zinc/84/18/93/573841893.db2.gz	VTYREMRWAZQBLP-UHFFFAOYSA-N	0	0	183.663	3.258	10	0		AGAERN
CC(C)=CC[C@@]1(C)CCCC[C@H]1O	238156360	573842018	/nfs/dbraw/zinc/84/20/18/573842018.db2.gz	AYUKSHUHRTYQAJ-VXGBXAGGSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)(C)[C@@H]1C[C@@H]1c1ccccc1N	238156899	573842284	/nfs/dbraw/zinc/84/22/84/573842284.db2.gz	XRKREAAZXWZZQS-GHMZBOCLSA-N	0	0	189.302	3.418	10	0		AGAERN
CC(C)=CCc1sc(CO)cc1C	238160027	573846456	/nfs/dbraw/zinc/84/64/56/573846456.db2.gz	VICZXELNTBYCDE-UHFFFAOYSA-N	0	0	196.315	3.058	10	0		AGAERN
CC(C)c1ccc(C2(O)CCC2)cc1	84350357	573846595	/nfs/dbraw/zinc/84/65/95/573846595.db2.gz	KZMIGYPDUXQUST-UHFFFAOYSA-N	0	0	190.286	3.182	10	0		AGAERN
CC(C)[C@@H]1C[C@@H]1c1cscc1N	238160389	573846621	/nfs/dbraw/zinc/84/66/21/573846621.db2.gz	MLSCJVCCNXNCDU-YUMQZZPRSA-N	0	0	181.304	3.090	10	0		AGAERN
CC(C)C[C@@H]1C[C@H]1c1sccc1N	238159474	573846657	/nfs/dbraw/zinc/84/66/57/573846657.db2.gz	IGJIUJJNNZDIEI-RKDXNWHRSA-N	0	0	195.331	3.480	10	0		AGAERN
C=C(Cl)/C=C/c1ccccc1	200456171	573846736	/nfs/dbraw/zinc/84/67/36/573846736.db2.gz	CKBMJLHEQISZIC-BQYQJAHWSA-N	0	0	164.635	3.452	10	0		AGAERN
CC(C)C[C@@H](C)C(=O)[C@H]1C[C@@H]2C[C@@H]2C1	308452657	573846902	/nfs/dbraw/zinc/84/69/02/573846902.db2.gz	CWWZUJOQWCKOHE-WISYIIOYSA-N	0	0	194.318	3.284	10	0		AGAERN
Cc1nc(-c2ccccc2Cl)c[nH]1	238535688	573847044	/nfs/dbraw/zinc/84/70/44/573847044.db2.gz	QDFDJBOEQLVFLM-UHFFFAOYSA-N	0	0	192.649	3.039	10	0		AGAERN
CC(C)(C)[C@@H]1CCC2=C(CC[C@H]2O)C1	238160287	573847226	/nfs/dbraw/zinc/84/72/26/573847226.db2.gz	HXODUXKVNRVDRX-ZYHUDNBSSA-N	0	0	194.318	3.284	10	0		AGAERN
CC(C)C[C@H]1C[C@H]1c1sccc1N	238152096	573847701	/nfs/dbraw/zinc/84/77/01/573847701.db2.gz	IGJIUJJNNZDIEI-DTWKUNHWSA-N	0	0	195.331	3.480	10	0		AGAERN
FC(F)[C@@](F)(Cl)c1ccccc1	238537816	573847718	/nfs/dbraw/zinc/84/77/18/573847718.db2.gz	SNXONCDSBRPGEA-MRVPVSSYSA-N	0	0	194.583	3.313	10	0		AGAERN
CC(C)[C@H]1C[C@@H](C)CC(C)(C)[C@@H]1O	238167968	573858601	/nfs/dbraw/zinc/85/86/01/573858601.db2.gz	JPCKQHBJIPKPSJ-GMTAPVOTSA-N	0	0	184.323	3.076	10	0		AGAERN
Cc1ccc(C)c(CC(C)C)c1O	238168967	573858720	/nfs/dbraw/zinc/85/87/20/573858720.db2.gz	WXCLNBXVUNKNKW-UHFFFAOYSA-N	0	0	178.275	3.208	10	0		AGAERN
Cc1cc2c([C@@H](C)O)cccc2s1	258157806	573858773	/nfs/dbraw/zinc/85/87/73/573858773.db2.gz	RKDAXNHXBBYFCI-MRVPVSSYSA-N	0	0	192.283	3.263	10	0		AGAERN
CC(C)[C@H](O)CCCC(C)(C)C	43658091	573858815	/nfs/dbraw/zinc/85/88/15/573858815.db2.gz	HFIXEVPYVMAOIL-SNVBAGLBSA-N	0	0	172.312	3.220	10	0		AGAERN
CC[C@@H](C)SCCc1ccccn1	308456081	573858828	/nfs/dbraw/zinc/85/88/28/573858828.db2.gz	GAOMOQINECAKKB-SNVBAGLBSA-N	0	0	195.331	3.156	10	0		AGAERN
CC(C)[C@H]1C[C@@H]1c1ccsc1N	238169084	573858869	/nfs/dbraw/zinc/85/88/69/573858869.db2.gz	URZCMAWJMRFGBJ-RKDXNWHRSA-N	0	0	181.304	3.090	10	0		AGAERN
CC[C@@H](O)CCCCc1ccccc1	43657859	573858914	/nfs/dbraw/zinc/85/89/14/573858914.db2.gz	FGGCAMZUJUBLJM-CYBMUJFWSA-N	0	0	192.302	3.170	10	0		AGAERN
CCc1ccc(CC[C@@H](O)CC)s1	43657749	573858943	/nfs/dbraw/zinc/85/89/43/573858943.db2.gz	QMPMJIBZTYRURV-VIFPVBQESA-N	0	0	198.331	3.014	10	0		AGAERN
CC[C@@H](CCC(C)(C)C)[C@H](C)O	43657301	573858950	/nfs/dbraw/zinc/85/89/50/573858950.db2.gz	YXQFTLHFLMHBAQ-UWVGGRQHSA-N	0	0	172.312	3.220	10	0		AGAERN
Nc1ccc2cccc(Cl)c2c1F	258155635	573859114	/nfs/dbraw/zinc/85/91/14/573859114.db2.gz	SJPFWITVBHPPFL-UHFFFAOYSA-N	0	0	195.624	3.215	10	0		AGAERN
CCCC[C@@H]1C[C@@H](CC)CC[C@@H]1O	43660620	573859191	/nfs/dbraw/zinc/85/91/91/573859191.db2.gz	BAHMWZAHEUTJNO-TUAOUCFPSA-N	0	0	184.323	3.364	10	0		AGAERN
CC(C)=C[C@@]1(C)CCCCC1=O	238167442	573859202	/nfs/dbraw/zinc/85/92/02/573859202.db2.gz	IQUYYQLXDWIBKK-LLVKDONJSA-N	0	0	166.264	3.102	10	0		AGAERN
C[C@@H]1CC[C@@H](C)[C@](O)(C(C)(C)C)C1	84375346	573861645	/nfs/dbraw/zinc/86/16/45/573861645.db2.gz	FQGIBOANRIQNMW-FOGDFJRCSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)[C@H]1CCC[C@](O)(C2CC2)CC1	84375429	573862363	/nfs/dbraw/zinc/86/23/63/573862363.db2.gz	LYRSWSOFMIFPEF-WCQYABFASA-N	0	0	196.334	3.364	10	0		AGAERN
C[C@H]1C[C@@](O)(C(C)(C)C)CC[C@H]1C	84375320	573861681	/nfs/dbraw/zinc/86/16/81/573861681.db2.gz	CUOWABHCOKYOHI-JFGNBEQYSA-N	0	0	184.323	3.220	10	0		AGAERN
CCC[C@H]1CNc2ccc(C)cc2N1	87261450	573861746	/nfs/dbraw/zinc/86/17/46/573861746.db2.gz	BRAPSYQTXQBEMW-JTQLQIEISA-N	0	0	190.290	3.001	10	0		AGAERN
CC(C)(C)[C@]1(O)CCC[C@@H](C2CC2)C1	84375308	573861948	/nfs/dbraw/zinc/86/19/48/573861948.db2.gz	WAOGRLLZLPGRTI-YPMHNXCESA-N	0	0	196.334	3.364	10	0		AGAERN
CC[C@@H]1CCC[C@](O)(C2CC2)CC1	84375408	573862061	/nfs/dbraw/zinc/86/20/61/573862061.db2.gz	UBZHFRQDAUNJTD-ZYHUDNBSSA-N	0	0	182.307	3.118	10	0		AGAERN
CCc1ccccc1/C=C(\C)[C@H](C)O	308457417	573862064	/nfs/dbraw/zinc/86/20/64/573862064.db2.gz	XSJKTVJCBINQJK-USKTWTLRSA-N	0	0	190.286	3.033	10	0		AGAERN
C[C@@H]1CC[C@@](O)(C(C)(C)C)[C@H](C)C1	84375338	573862113	/nfs/dbraw/zinc/86/21/13/573862113.db2.gz	OHDZYCNJUDTCGW-FOGDFJRCSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@@H]1CCC[C@](O)(C(C)(C)C)C1	84375254	573862311	/nfs/dbraw/zinc/86/23/11/573862311.db2.gz	RRTKHBZHWSGHJF-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H]1CCCC[C@]1(O)C(C)(C)C	84375270	573862326	/nfs/dbraw/zinc/86/23/26/573862326.db2.gz	GCLRSEPRSBNJPK-ZYHUDNBSSA-N	0	0	184.323	3.364	10	0		AGAERN
CC[C@@H]1CCC[C@@](O)(C2CC2)CC1	84375410	573862333	/nfs/dbraw/zinc/86/23/33/573862333.db2.gz	UBZHFRQDAUNJTD-PWSUYJOCSA-N	0	0	182.307	3.118	10	0		AGAERN
Cc1cscc1[C@@H](O)CC1CCC1	87288036	573865684	/nfs/dbraw/zinc/86/56/84/573865684.db2.gz	BXDYXNKVZGRLJF-NSHDSACASA-N	0	0	196.315	3.280	10	0		AGAERN
CCC(=O)[C@@H](C)c1ccc(C)c(F)c1	87285391	573865206	/nfs/dbraw/zinc/86/52/06/573865206.db2.gz	BRLHTYJIIIYPFA-VIFPVBQESA-N	0	0	194.249	3.217	10	0		AGAERN
CCc1ccccc1/C=C(\C)[C@@H](C)O	308457416	573865245	/nfs/dbraw/zinc/86/52/45/573865245.db2.gz	XSJKTVJCBINQJK-PBQZMEPESA-N	0	0	190.286	3.033	10	0		AGAERN
CC(C)[C@H]1C[C@H]1c1ccc(O)cc1	238171307	573865394	/nfs/dbraw/zinc/86/53/94/573865394.db2.gz	DQSIYTROVVBTPT-NEPJUHHUSA-N	0	0	176.259	3.152	10	0		AGAERN
CC(C)[C@H]1C[C@H]1c1ccsc1N	238171328	573865475	/nfs/dbraw/zinc/86/54/75/573865475.db2.gz	URZCMAWJMRFGBJ-BDAKNGLRSA-N	0	0	181.304	3.090	10	0		AGAERN
Cc1cc(C)c(Cl)c(C(F)F)n1	238540431	573865533	/nfs/dbraw/zinc/86/55/33/573865533.db2.gz	RWARCBYRTGSMBC-UHFFFAOYSA-N	0	0	191.608	3.289	10	0		AGAERN
CC/C=C\[C@H](O)[C@@H](C)c1ccccc1	308458343	573865707	/nfs/dbraw/zinc/86/57/07/573865707.db2.gz	YTGMTIFOLSSBHH-XILQUFHOSA-N	0	0	190.286	3.117	10	0		AGAERN
CC(C)[C@H]1C[C@H]1c1cscc1N	238171349	573865763	/nfs/dbraw/zinc/86/57/63/573865763.db2.gz	MLSCJVCCNXNCDU-HTQZYQBOSA-N	0	0	181.304	3.090	10	0		AGAERN
CC[C@@H](C)C(=O)c1cscc1C	87287925	573865813	/nfs/dbraw/zinc/86/58/13/573865813.db2.gz	NACYGXXTXWUYHW-SSDOTTSWSA-N	0	0	182.288	3.285	10	0		AGAERN
Cc1cscc1C(=O)C(C)(C)C	87287887	573865977	/nfs/dbraw/zinc/86/59/77/573865977.db2.gz	JMKHDFUDPYTMGG-UHFFFAOYSA-N	0	0	182.288	3.285	10	0		AGAERN
Cc1cscc1[C@H](O)CC1CCC1	87288035	573866110	/nfs/dbraw/zinc/86/61/10/573866110.db2.gz	BXDYXNKVZGRLJF-LLVKDONJSA-N	0	0	196.315	3.280	10	0		AGAERN
Cc1cscc1C(=O)CC(C)C	87287889	573866264	/nfs/dbraw/zinc/86/62/64/573866264.db2.gz	GNZQPZLYYZJQJT-UHFFFAOYSA-N	0	0	182.288	3.285	10	0		AGAERN
Cc1cc(C)c(Cl)c(N)c1Cl	238540522	573866391	/nfs/dbraw/zinc/86/63/91/573866391.db2.gz	DBSUBBYXRIKBLR-UHFFFAOYSA-N	0	0	190.073	3.192	10	0		AGAERN
CC(C)(C)[C@H]1C=Nc2ccccc2N1	238162832	573866424	/nfs/dbraw/zinc/86/64/24/573866424.db2.gz	VLGHNTLHXHJAIA-LLVKDONJSA-N	0	0	188.274	3.229	10	0		AGAERN
Cc1cscc1[C@H](O)C(C)(C)C	87288023	573866859	/nfs/dbraw/zinc/86/68/59/573866859.db2.gz	SPVABYXGSLNHFZ-VIFPVBQESA-N	0	0	184.304	3.136	10	0		AGAERN
CC[C@@H](O)[C@H](C)c1ccc(C)c(F)c1	87285454	573866869	/nfs/dbraw/zinc/86/68/69/573866869.db2.gz	ODMXHPHEURJJMB-BXKDBHETSA-N	0	0	196.265	3.009	10	0		AGAERN
C[C@H]1S[C@H](C)c2ccccc2C1=O	125318308	573866897	/nfs/dbraw/zinc/86/68/97/573866897.db2.gz	KIOTWYIRPLXYGX-HTQZYQBOSA-N	0	0	192.283	3.066	10	0		AGAERN
CCC(=O)[C@H](C)c1cc(F)cc(F)c1	87283450	573867089	/nfs/dbraw/zinc/86/70/89/573867089.db2.gz	SLVHINIHVDMCNL-SSDOTTSWSA-N	0	0	198.212	3.047	10	0		AGAERN
CCCCN(CC)c1ccc(C)cn1	308459563	573867254	/nfs/dbraw/zinc/86/72/54/573867254.db2.gz	CWFOSZPOCWHQLO-UHFFFAOYSA-N	0	0	192.306	3.016	10	0		AGAERN
Cc1nc2c(F)c(C)ccc2s1	238540783	573867297	/nfs/dbraw/zinc/86/72/97/573867297.db2.gz	WXKPANFCHUEOLC-UHFFFAOYSA-N	0	0	181.235	3.052	10	0		AGAERN
O[C@H](CCCC1CC1)C1CCCC1	127378268	573867393	/nfs/dbraw/zinc/86/73/93/573867393.db2.gz	XESMAHVYDLRLBW-GFCCVEGCSA-N	0	0	182.307	3.118	10	0		AGAERN
CC(C)(C)CC[C@@]1(C)[C@H](CO)C1(C)C	308460664	573876426	/nfs/dbraw/zinc/87/64/26/573876426.db2.gz	GEJJVHLHCPVNCD-MFKMUULPSA-N	0	0	198.350	3.467	10	0		AGAERN
CC(C)Nc1cccccc1=S	238164897	573875823	/nfs/dbraw/zinc/87/58/23/573875823.db2.gz	HPCPYVZPQIAOTD-UHFFFAOYSA-N	0	0	179.288	3.236	10	0		AGAERN
CCOCc1coc2cccc(C)c12	257895531	573875844	/nfs/dbraw/zinc/87/58/44/573875844.db2.gz	NDHYHSZVKOGBPS-UHFFFAOYSA-N	0	0	190.242	3.278	10	0		AGAERN
CC[C@H](C)[C@H](O)/C=C\c1ccccc1	308459828	573875851	/nfs/dbraw/zinc/87/58/51/573875851.db2.gz	ZUKLVIIJJBDGIE-LWGPBUPDSA-N	0	0	190.286	3.107	10	0		AGAERN
C[C@H]1CCC[C@H](Cn2cccc2)C1	235663648	573875870	/nfs/dbraw/zinc/87/58/70/573875870.db2.gz	ZAIJGPUGUZQQHL-RYUDHWBXSA-N	0	0	177.291	3.314	10	0		AGAERN
CC(F)(F)c1ccc2c(c1)CCCO2	258975921	573876042	/nfs/dbraw/zinc/87/60/42/573876042.db2.gz	IVPHGVDAJNEAAA-UHFFFAOYSA-N	0	0	198.212	3.123	10	0		AGAERN
CCOCc1cc2ccc(C)cc2o1	257895587	573876139	/nfs/dbraw/zinc/87/61/39/573876139.db2.gz	NELBNFIBLHWQNV-UHFFFAOYSA-N	0	0	190.242	3.278	10	0		AGAERN
Clc1cnc(Oc2ccccc2)o1	258518739	573876152	/nfs/dbraw/zinc/87/61/52/573876152.db2.gz	LKLXPBFPJMNXAQ-UHFFFAOYSA-N	0	0	195.605	3.120	10	0		AGAERN
O=C(C1CC1)C(C1CCC1)C1CCC1	308460573	573876164	/nfs/dbraw/zinc/87/61/64/573876164.db2.gz	GACONMLYUCJRPP-UHFFFAOYSA-N	0	0	192.302	3.182	10	0		AGAERN
CC[C@H](C)[C@@H](O)/C=C\c1ccccc1	308459829	573876209	/nfs/dbraw/zinc/87/62/09/573876209.db2.gz	ZUKLVIIJJBDGIE-OLSPVFQASA-N	0	0	190.286	3.107	10	0		AGAERN
CCn1c(Cl)nc2cc(C)ccc21	76536222	573876319	/nfs/dbraw/zinc/87/63/19/573876319.db2.gz	HTEZHORGPQNHRY-UHFFFAOYSA-N	0	0	194.665	3.018	10	0		AGAERN
CCC1(C(=O)c2cc[nH]c2)CCCC1	87315851	573878098	/nfs/dbraw/zinc/87/80/98/573878098.db2.gz	AXKLSQAOBCTIPP-UHFFFAOYSA-N	0	0	191.274	3.168	10	0		AGAERN
Cc1ccc(-c2cc(F)cc(F)c2)[nH]1	238555915	573878222	/nfs/dbraw/zinc/87/82/22/573878222.db2.gz	GWNFAINCSGYPMU-UHFFFAOYSA-N	0	0	193.196	3.268	10	0		AGAERN
C[C@H](O)CC(C)(C)Cc1cccs1	84417907	573878224	/nfs/dbraw/zinc/87/82/24/573878224.db2.gz	PWYLBUNGUGRZKE-VIFPVBQESA-N	0	0	198.331	3.088	10	0		AGAERN
CC1CC(C)(C)C(=CCO)C(C)(C)C1	238176543	573878287	/nfs/dbraw/zinc/87/82/87/573878287.db2.gz	WCPULQGAKCGITB-UHFFFAOYSA-N	0	0	196.334	3.387	10	0		AGAERN
C/C=C\Cn1ccc2cccc(C=O)c21	308777354	573883994	/nfs/dbraw/zinc/88/39/94/573883994.db2.gz	HTPTUZWFFYDABV-IHWYPQMZSA-N	0	0	199.253	3.030	10	0		AGAERN
CCC1([C@H](O)C2=CCCC2)CCCC1	87318373	573884031	/nfs/dbraw/zinc/88/40/31/573884031.db2.gz	OTBIYNDZIFEOCK-GFCCVEGCSA-N	0	0	194.318	3.428	10	0		AGAERN
CC1(C(=O)[C@H]2CCCS2)CCCC1	87317036	573884048	/nfs/dbraw/zinc/88/40/48/573884048.db2.gz	ROCHLUYIDGXIDJ-SECBINFHSA-N	0	0	198.331	3.031	10	0		AGAERN
CCC[C@H]1C[C@@]1(O)C1(C)CCCC1	87329820	573884059	/nfs/dbraw/zinc/88/40/59/573884059.db2.gz	KBOVQVLSRVNPMJ-JQWIXIFHSA-N	0	0	182.307	3.118	10	0		AGAERN
Fc1cc(F)c2[nH]c(C3CC3)cc2c1	238555178	573884215	/nfs/dbraw/zinc/88/42/15/573884215.db2.gz	IKWBIJLVZXFDCG-UHFFFAOYSA-N	0	0	193.196	3.324	10	0		AGAERN
Cc1csc2c(Cl)cc(N)cc12	238554779	573884333	/nfs/dbraw/zinc/88/43/33/573884333.db2.gz	PANCKWGONNOJLN-UHFFFAOYSA-N	0	0	197.690	3.445	10	0		AGAERN
CC(C)c1sc(N)nc1C1CCC1	257893761	573884422	/nfs/dbraw/zinc/88/44/22/573884422.db2.gz	XOEFNGUMKYBNEM-UHFFFAOYSA-N	0	0	196.319	3.116	10	0		AGAERN
CCC(=O)CCc1cc(C)ccc1C	41205061	573884488	/nfs/dbraw/zinc/88/44/88/573884488.db2.gz	QAPRSFIZKQFTNP-UHFFFAOYSA-N	0	0	190.286	3.215	10	0		AGAERN
CCC[C@@H]1C[C@@]1(O)C1(C)CCCC1	87329816	573884612	/nfs/dbraw/zinc/88/46/12/573884612.db2.gz	KBOVQVLSRVNPMJ-PWSUYJOCSA-N	0	0	182.307	3.118	10	0		AGAERN
CCCCSc1ccc(C(C)=O)o1	131589142	573886037	/nfs/dbraw/zinc/88/60/37/573886037.db2.gz	VWVNRLDKIDIOKW-UHFFFAOYSA-N	0	0	198.287	3.374	10	0		AGAERN
Fc1cc(F)c2cc(C3CC3)[nH]c2c1	238555328	573886107	/nfs/dbraw/zinc/88/61/07/573886107.db2.gz	FZJDGKRDTHHYIY-UHFFFAOYSA-N	0	0	193.196	3.324	10	0		AGAERN
CCc1ccc(C[C@H](C)C(C)=O)cc1	41205057	573886310	/nfs/dbraw/zinc/88/63/10/573886310.db2.gz	FPIRLIJGXXZEFC-JTQLQIEISA-N	0	0	190.286	3.017	10	0		AGAERN
Nc1ccc([C@H]2CCCCS2)cc1	257892808	573886361	/nfs/dbraw/zinc/88/63/61/573886361.db2.gz	XKDCDHPMYSPAIC-LLVKDONJSA-N	0	0	193.315	3.227	10	0		AGAERN
CCC[C@@H](C)Oc1cccc(C=O)c1	233282163	573886475	/nfs/dbraw/zinc/88/64/75/573886475.db2.gz	UETFQLIKUFWYLE-SNVBAGLBSA-N	0	0	192.258	3.067	10	0		AGAERN
FC(F)(F)C=CNc1ccccc1	238562614	573890276	/nfs/dbraw/zinc/89/02/76/573890276.db2.gz	FLTSMHNUIALFMH-VOTSOKGWSA-N	0	0	187.164	3.175	10	0		AGAERN
CC[C@@H](C)Cc1nc2ccccc2o1	102159226	573890421	/nfs/dbraw/zinc/89/04/21/573890421.db2.gz	SJDPBEXXJWTDPZ-SECBINFHSA-N	0	0	189.258	3.416	10	0		AGAERN
Cc1cccc(C(F)(F)C2CC2)c1	258986953	573890430	/nfs/dbraw/zinc/89/04/30/573890430.db2.gz	KORGIJIBBQAROX-UHFFFAOYSA-N	0	0	182.213	3.497	10	0		AGAERN
CCCCC[C@@H](C)/C=C\CCO	222512599	573890504	/nfs/dbraw/zinc/89/05/04/573890504.db2.gz	DMODZNGUPIFTQT-DHHDDZJSSA-N	0	0	170.296	3.141	10	0		AGAERN
CCC(=O)CCCc1ccc(F)cc1	41206661	573890528	/nfs/dbraw/zinc/89/05/28/573890528.db2.gz	OMLZRFIBNPCTKV-UHFFFAOYSA-N	0	0	194.249	3.128	10	0		AGAERN
CC(C)(C)[C@H](O)[C@@H]1C=CC=CC1(C)C	238180561	573890531	/nfs/dbraw/zinc/89/05/31/573890531.db2.gz	FCMNYBQTFPNDOV-WDEREUQCSA-N	0	0	194.318	3.162	10	0		AGAERN
CC(C)C[C@@H]1CCCCC(=O)C1	80385544	573890604	/nfs/dbraw/zinc/89/06/04/573890604.db2.gz	LVGGBFDRJNDLNV-JTQLQIEISA-N	0	0	168.280	3.182	10	0		AGAERN
CCC(=O)[C@@H](C)CC(C)(C)C	76591936	573891191	/nfs/dbraw/zinc/89/11/91/573891191.db2.gz	ZDTWYSNKJGMRNB-QMMMGPOBSA-N	0	0	156.269	3.038	10	0		AGAERN
CCC(=O)CCCCc1cccs1	41207400	573891262	/nfs/dbraw/zinc/89/12/62/573891262.db2.gz	SCULOVMAKIAMQI-UHFFFAOYSA-N	0	0	196.315	3.440	10	0		AGAERN
CC1=CC(C)=N[C@@]1(C)c1ccccc1	197113418	573891306	/nfs/dbraw/zinc/89/13/06/573891306.db2.gz	LPKOIWVGGLDBBI-CYBMUJFWSA-N	0	0	185.270	3.323	10	0		AGAERN
CC[C@H](C)[C@H]1CCCCCC1=O	76596805	573891472	/nfs/dbraw/zinc/89/14/72/573891472.db2.gz	YLAKIJTZPUQZFR-VHSXEESVSA-N	0	0	168.280	3.182	10	0		AGAERN
C[C@@H]1CCC[C@@H]([C@](C)(O)C2(C)CC2)C1	87366068	573898731	/nfs/dbraw/zinc/89/87/31/573898731.db2.gz	XPYDFQOXVZNWJX-WZRBSPASSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1ccc([C@](C)(O)C2(C)CC2)s1	87365884	573898780	/nfs/dbraw/zinc/89/87/80/573898780.db2.gz	URLJGDIPDCRKQG-NSHDSACASA-N	0	0	196.315	3.064	10	0		AGAERN
O=C(c1coc2ccccc12)C1CC1	84449796	573898995	/nfs/dbraw/zinc/89/89/95/573898995.db2.gz	RUSXFKGJODLACS-UHFFFAOYSA-N	0	0	186.210	3.026	10	0		AGAERN
CCCC/C(Cl)=C/Cl	80484126	573899123	/nfs/dbraw/zinc/89/91/23/573899123.db2.gz	GDGQIARUUDFWMY-WAYWQWQTSA-N	0	0	153.052	3.496	10	0		AGAERN
Cc1ccsc1[C@@](C)(O)C1(C)CC1	87365887	573899209	/nfs/dbraw/zinc/89/92/09/573899209.db2.gz	UZZWFZKXXMLRPP-LLVKDONJSA-N	0	0	196.315	3.064	10	0		AGAERN
C[C@H]1CC[C@](O)(C2CCCCC2)C1	80471609	573899254	/nfs/dbraw/zinc/89/92/54/573899254.db2.gz	QAUMDPDKMVDXHZ-CMPLNLGQSA-N	0	0	182.307	3.118	10	0		AGAERN
CCCc1c[nH]c(-c2ccccc2)n1	80498620	573899282	/nfs/dbraw/zinc/89/92/82/573899282.db2.gz	OIMQEZBKDKVPHU-UHFFFAOYSA-N	0	0	186.258	3.029	10	0		AGAERN
C[C@@H]1CC[C@](O)(C2CCCCC2)C1	80471604	573899298	/nfs/dbraw/zinc/89/92/98/573899298.db2.gz	QAUMDPDKMVDXHZ-ZYHUDNBSSA-N	0	0	182.307	3.118	10	0		AGAERN
CC1CCC([C@](C)(O)C2(C)CC2)CC1	87365601	573899380	/nfs/dbraw/zinc/89/93/80/573899380.db2.gz	LJHHHGVYRBLFPK-XIVSLSHWSA-N	0	0	196.334	3.364	10	0		AGAERN
CCCCc1ccccc1F	80398305	573899383	/nfs/dbraw/zinc/89/93/83/573899383.db2.gz	FXBMDTJNJYRHOY-UHFFFAOYSA-N	0	0	152.212	3.168	10	0		AGAERN
Cc1ccccc1[C@](C)(O)C1(C)CC1	87365648	573901077	/nfs/dbraw/zinc/90/10/77/573901077.db2.gz	TXXYJXFZMCIEAR-ZDUSSCGKSA-N	0	0	190.286	3.003	10	0		AGAERN
CC1CCC([C@@](C)(O)C2(C)CC2)CC1	87365603	573901194	/nfs/dbraw/zinc/90/11/94/573901194.db2.gz	LJHHHGVYRBLFPK-GCZXYKMCSA-N	0	0	196.334	3.364	10	0		AGAERN
Cc1ccc(-c2ncc(Cl)s2)o1	257902645	573901248	/nfs/dbraw/zinc/90/12/48/573901248.db2.gz	APVRMIVLJYZNKM-UHFFFAOYSA-N	0	0	199.662	3.365	10	0		AGAERN
CC1(C)CC=C[C@@](C)(CCCO)C1	238192123	573902962	/nfs/dbraw/zinc/90/29/62/573902962.db2.gz	XGPJIVJATDEAQN-LBPRGKRZSA-N	0	0	182.307	3.141	10	0		AGAERN
CC(=O)[C@](C)(C(C)C)C(C)(C)C	238192560	573902966	/nfs/dbraw/zinc/90/29/66/573902966.db2.gz	APHBJAJZTWOUOH-NSHDSACASA-N	0	0	170.296	3.284	10	0		AGAERN
Cc1ccc(CC(C)(C)C)c(N)c1	257903861	573903024	/nfs/dbraw/zinc/90/30/24/573903024.db2.gz	PJBXEOUSRWHFEZ-UHFFFAOYSA-N	0	0	177.291	3.166	10	0		AGAERN
CC[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O	44470295	573903346	/nfs/dbraw/zinc/90/33/46/573903346.db2.gz	AAAFHFLHBVFDPK-DCAQKATOSA-N	0	0	184.323	3.220	10	0		AGAERN
CC(C)(O)c1csc2ccccc12	238195591	573906943	/nfs/dbraw/zinc/90/69/43/573906943.db2.gz	VAJJRXLRUFLIJE-UHFFFAOYSA-N	0	0	192.283	3.129	10	0		AGAERN
CCC(C)(C)[C@H](O)CC(C)(C)C	238194001	573907012	/nfs/dbraw/zinc/90/70/12/573907012.db2.gz	ZYZOBJYDPLMQNQ-SECBINFHSA-N	0	0	172.312	3.220	10	0		AGAERN
CCC1(CC)Nc2ccccc2CO1	238195438	573907201	/nfs/dbraw/zinc/90/72/01/573907201.db2.gz	JCUICYDQHCFVHW-UHFFFAOYSA-N	0	0	191.274	3.145	10	0		AGAERN
C/C=C\[C@@H](C)Nc1ccccc1	205402537	573907336	/nfs/dbraw/zinc/90/73/36/573907336.db2.gz	HYDCNLRVDPZUPE-WXGCRTCVSA-N	0	0	161.248	3.063	10	0		AGAERN
Cc1ccccc1[C@@H](O)[C@@H]1CC1(C)C	235783296	573907555	/nfs/dbraw/zinc/90/75/55/573907555.db2.gz	QRWYNFPGFMGNPD-NWDGAFQWSA-N	0	0	190.286	3.075	10	0		AGAERN
C[C@H](O)c1coc2c(Cl)cccc12	257896422	573907648	/nfs/dbraw/zinc/90/76/48/573907648.db2.gz	LVJTYODMOBMWHY-LURJTMIESA-N	0	0	196.633	3.140	10	0		AGAERN
CC1=C[C@H]2CCCC(=O)[C@]2(C)CC1	238183453	573913598	/nfs/dbraw/zinc/91/35/98/573913598.db2.gz	IEALSWNFTVEXSZ-ZYHUDNBSSA-N	0	0	178.275	3.102	10	0		AGAERN
CC1=C[C@H]2CCCCC(=O)[C@]2(C)C1	238183489	573913638	/nfs/dbraw/zinc/91/36/38/573913638.db2.gz	UNSJKCKECGSZJJ-ZYHUDNBSSA-N	0	0	178.275	3.102	10	0		AGAERN
C=C(SC(C)C)c1ccccc1N	238183063	573913770	/nfs/dbraw/zinc/91/37/70/573913770.db2.gz	QWVZEJHIZZGZBB-UHFFFAOYSA-N	0	0	193.315	3.381	10	0		AGAERN
CC1=C[C@H]2CCCC(=O)[C@@]2(C)CC1	238183431	573913802	/nfs/dbraw/zinc/91/38/02/573913802.db2.gz	IEALSWNFTVEXSZ-PWSUYJOCSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1cc(C)c2[nH]c(Cl)c(N)c2c1	76636279	573913958	/nfs/dbraw/zinc/91/39/58/573913958.db2.gz	IGLJJUGDCFFKQS-UHFFFAOYSA-N	0	0	194.665	3.020	10	0		AGAERN
CC(C)Cc1ccc(Cl)c(N)c1	84736916	573914066	/nfs/dbraw/zinc/91/40/66/573914066.db2.gz	XVQNSHXFRLKZJX-UHFFFAOYSA-N	0	0	183.682	3.121	10	0		AGAERN
CSCc1cc2c(C)cccc2[nH]1	257897322	573914090	/nfs/dbraw/zinc/91/40/90/573914090.db2.gz	NLEZYQMDIDDDIP-UHFFFAOYSA-N	0	0	191.299	3.339	10	0		AGAERN
FC1(F)CCCc2ccccc21	103013812	573914093	/nfs/dbraw/zinc/91/40/93/573914093.db2.gz	WCRVMYSJZUBJDY-UHFFFAOYSA-N	0	0	168.186	3.115	10	0		AGAERN
Cc1ccc(C)c2c(N)c(Cl)[nH]c12	76636277	573914161	/nfs/dbraw/zinc/91/41/61/573914161.db2.gz	YZOVCXMGHNRENZ-UHFFFAOYSA-N	0	0	194.665	3.020	10	0		AGAERN
CCc1ccc2c(c1)C(=O)CC2(C)C	84768178	573914915	/nfs/dbraw/zinc/91/49/15/573914915.db2.gz	MWUCIYGZJZEKOC-UHFFFAOYSA-N	0	0	188.270	3.113	10	0		AGAERN
Cc1cc2c(c3cc(O)ccc13)CCC2	238544101	573914472	/nfs/dbraw/zinc/91/44/72/573914472.db2.gz	OXZJWXJPMLBHJA-UHFFFAOYSA-N	0	0	198.265	3.343	10	0		AGAERN
CC1=C[C@@]2(C)C(=O)CCCC[C@H]2C1	238185517	573914643	/nfs/dbraw/zinc/91/46/43/573914643.db2.gz	NTUHSEDVDAMQNS-CMPLNLGQSA-N	0	0	178.275	3.102	10	0		AGAERN
Cc1cc(C)c2c(N)c(Cl)[nH]c2c1	76636275	573915511	/nfs/dbraw/zinc/91/55/11/573915511.db2.gz	YDWGULCATNDJER-UHFFFAOYSA-N	0	0	194.665	3.020	10	0		AGAERN
CC1=C[C@@]2(C)C(=O)CCCC[C@@H]2C1	238185537	573915624	/nfs/dbraw/zinc/91/56/24/573915624.db2.gz	NTUHSEDVDAMQNS-ZYHUDNBSSA-N	0	0	178.275	3.102	10	0		AGAERN
CC(C)C[C@H](C)[C@](C)(O)c1ccoc1	308465189	573927158	/nfs/dbraw/zinc/92/71/58/573927158.db2.gz	HOBBFCVXHRGIMA-JQWIXIFHSA-N	0	0	196.290	3.169	10	0		AGAERN
CC(C)[C@H](C)Oc1ccnc(Cl)c1	87469180	573926502	/nfs/dbraw/zinc/92/65/02/573926502.db2.gz	VSQVPBHGNZVXRL-QMMMGPOBSA-N	0	0	199.681	3.158	10	0		AGAERN
CC(C)=C[C@H](O)CC1CCCCC1	87473776	573926550	/nfs/dbraw/zinc/92/65/50/573926550.db2.gz	OKUSFFFEPICHHG-LBPRGKRZSA-N	0	0	182.307	3.284	10	0		AGAERN
CC(C)[C@H](C)Oc1cccc(Cl)n1	87469242	573926581	/nfs/dbraw/zinc/92/65/81/573926581.db2.gz	DVDAGNMXKQNIKB-QMMMGPOBSA-N	0	0	199.681	3.158	10	0		AGAERN
Cc1ccc([C@]2(O)CCC[C@H]2C)cc1	84902350	573926813	/nfs/dbraw/zinc/92/68/13/573926813.db2.gz	HDBZMLBNDXXBGI-YPMHNXCESA-N	0	0	190.286	3.003	10	0		AGAERN
Cc1cccnc1NC[C@H](C)C(C)C	81069843	573926918	/nfs/dbraw/zinc/92/69/18/573926918.db2.gz	CMZLJDAOPKLRRC-NSHDSACASA-N	0	0	192.306	3.094	10	0		AGAERN
Cl/C=C\Cn1ccc2ccccc21	216897683	573926965	/nfs/dbraw/zinc/92/69/65/573926965.db2.gz	JKOMSZLQCYEPTG-CLTKARDFSA-N	0	0	191.661	3.394	10	0		AGAERN
Cc1ccc(Cl)c([C@@H](C)CO)c1C	258182895	573927047	/nfs/dbraw/zinc/92/70/47/573927047.db2.gz	QYUAIPNYNUVDNI-QMMMGPOBSA-N	0	0	198.693	3.053	10	0		AGAERN
CCOC(=O)[C@@H]1CC[C@@H](C)[C@H](CC)C1	259586056	573934575	/nfs/dbraw/zinc/93/45/75/573934575.db2.gz	KVFRKGOUCDIGQG-GMTAPVOTSA-N	0	0	198.306	3.012	10	0		AGAERN
Cc1ccc(C)n1C[C@@H](C)C(C)C	81108901	573934622	/nfs/dbraw/zinc/93/46/22/573934622.db2.gz	LVJXNNUFXRCPCW-SNVBAGLBSA-N	0	0	179.307	3.397	10	0		AGAERN
Cc1ccccc1-c1csc(N)c1	103624590	573933851	/nfs/dbraw/zinc/93/38/51/573933851.db2.gz	RKAKIUQSOBHTFT-UHFFFAOYSA-N	0	0	189.283	3.306	10	0		AGAERN
CCOCc1coc2cc(F)ccc12	258183497	573933869	/nfs/dbraw/zinc/93/38/69/573933869.db2.gz	YYBBAAKSYGSIQF-UHFFFAOYSA-N	0	0	194.205	3.108	10	0		AGAERN
CC1(C)C=C2CCCCC[C@H]2C1=O	238196995	573933925	/nfs/dbraw/zinc/93/39/25/573933925.db2.gz	DRVQOAHUFSYLBX-SNVBAGLBSA-N	0	0	178.275	3.102	10	0		AGAERN
O=Cc1ccccc1[C@H]1CCCS1	257905251	573934035	/nfs/dbraw/zinc/93/40/35/573934035.db2.gz	ZHZKHYXMJCHAHR-LLVKDONJSA-N	0	0	192.283	3.067	10	0		AGAERN
CC[C@H](C)O[C@H](C)c1ccc(N)cc1	42288482	573934229	/nfs/dbraw/zinc/93/42/29/573934229.db2.gz	DUKZBAPEHWAGEH-VHSXEESVSA-N	0	0	193.290	3.145	10	0		AGAERN
CC[C@@H](C)OC(=O)c1csc(C)c1	393563408	573934276	/nfs/dbraw/zinc/93/42/76/573934276.db2.gz	KXPBDHMOLRSUIM-SSDOTTSWSA-N	0	0	198.287	3.012	10	0		AGAERN
CC(=O)CC(F)(F)c1cccc(C)c1	257906673	573937443	/nfs/dbraw/zinc/93/74/43/573937443.db2.gz	WMYHVWLKQKHMIH-UHFFFAOYSA-N	0	0	198.212	3.066	10	0		AGAERN
CCC1([C@@H](O)c2ccccc2)CCC1	238197856	573937516	/nfs/dbraw/zinc/93/75/16/573937516.db2.gz	QUXMUWILFVQTJP-LBPRGKRZSA-N	0	0	190.286	3.300	10	0		AGAERN
CC1CCC(=COC2CC2)CC1	238197554	573937548	/nfs/dbraw/zinc/93/75/48/573937548.db2.gz	LFFVJRSULWAXFF-UHFFFAOYSA-N	0	0	166.264	3.259	10	0		AGAERN
CC[C@@H](C)C(=O)[C@H](C)c1ccccc1	233974072	573937724	/nfs/dbraw/zinc/93/77/24/573937724.db2.gz	BXHOJHHVOBTRKZ-GHMZBOCLSA-N	0	0	190.286	3.405	10	0		AGAERN
CCC(CCC(C)=O)=C(C)C	238197544	573937777	/nfs/dbraw/zinc/93/77/77/573937777.db2.gz	SCPIYYSBJJSIOJ-UHFFFAOYSA-N	0	0	154.253	3.102	10	0		AGAERN
CC(C)=CCCC(=O)CC(C)C	87521570	573937779	/nfs/dbraw/zinc/93/77/79/573937779.db2.gz	GDHMUQJIULZQQQ-UHFFFAOYSA-N	0	0	168.280	3.348	10	0		AGAERN
C/C=C/CCNc1ccccc1	223582698	573940457	/nfs/dbraw/zinc/94/04/57/573940457.db2.gz	MKVSCHKSUJXLMA-NSCUHMNNSA-N	0	0	161.248	3.065	10	0		AGAERN
CC(C)[C@@]1(C)CCC[C@H](C)C1=O	238201394	573940464	/nfs/dbraw/zinc/94/04/64/573940464.db2.gz	DQFCCHLNJRLNGM-GXSJLCMTSA-N	0	0	168.280	3.038	10	0		AGAERN
CC(C)CCOc1ccc(Cl)nc1	87542914	573940627	/nfs/dbraw/zinc/94/06/27/573940627.db2.gz	DIHNJFJOGFXOOA-UHFFFAOYSA-N	0	0	199.681	3.160	10	0		AGAERN
CC(C)c1cc2cc(Cl)ncc2[nH]1	238200492	573940745	/nfs/dbraw/zinc/94/07/45/573940745.db2.gz	JLGCEDQAOXPNAG-UHFFFAOYSA-N	0	0	194.665	3.340	10	0		AGAERN
CC(C)c1cc2cc(C=O)ccc2o1	238200441	573940798	/nfs/dbraw/zinc/94/07/98/573940798.db2.gz	OFZXEAURHPSMIY-UHFFFAOYSA-N	0	0	188.226	3.369	10	0		AGAERN
CCCC1=CCCC[C@@H]1C(C)=O	238201463	573940803	/nfs/dbraw/zinc/94/08/03/573940803.db2.gz	UEBVJDFSSQZUJN-LLVKDONJSA-N	0	0	166.264	3.102	10	0		AGAERN
CCC1=C2CCCC[C@@H]2CC[C@H]1O	238200467	573940809	/nfs/dbraw/zinc/94/08/09/573940809.db2.gz	QBAMBFQSCXZVFT-BXKDBHETSA-N	0	0	180.291	3.038	10	0		AGAERN
CCCC1=CCCC(=O)[C@H](C)C1	238201417	573940820	/nfs/dbraw/zinc/94/08/20/573940820.db2.gz	OCXFOLIVTYHBEZ-SECBINFHSA-N	0	0	166.264	3.102	10	0		AGAERN
CC1=C2CCCCC[C@](C)(CC1)[C@H]2O	238215065	573940825	/nfs/dbraw/zinc/94/08/25/573940825.db2.gz	SDBXFLNKBPEPMG-QWHCGFSZSA-N	0	0	194.318	3.428	10	0		AGAERN
CCC1=CCc2ccccc2N[C@H]1C	238201267	573940978	/nfs/dbraw/zinc/94/09/78/573940978.db2.gz	CEQQJMHUTXEEBD-JTQLQIEISA-N	0	0	187.286	3.380	10	0		AGAERN
CC(C)c1cc2nc(Cl)ccc2[nH]1	238201212	573940985	/nfs/dbraw/zinc/94/09/85/573940985.db2.gz	QAEZBOISTXGLLP-UHFFFAOYSA-N	0	0	194.665	3.340	10	0		AGAERN
CC1=C2CCCCC[C@@](C)(CC1)[C@H]2O	238215030	573941001	/nfs/dbraw/zinc/94/10/01/573941001.db2.gz	SDBXFLNKBPEPMG-STQMWFEESA-N	0	0	194.318	3.428	10	0		AGAERN
CC(C)n1ccc2c(Cl)ccnc21	258184886	573941027	/nfs/dbraw/zinc/94/10/27/573941027.db2.gz	VKTGHRLCUMWQMB-UHFFFAOYSA-N	0	0	194.665	3.271	10	0		AGAERN
CC(C)=CCOc1ccc(Cl)nc1	87543207	573941056	/nfs/dbraw/zinc/94/10/56/573941056.db2.gz	CIDLJORZWHVTFQ-UHFFFAOYSA-N	0	0	197.665	3.080	10	0		AGAERN
C/C=C\CCC[C@@H](O)C(C)(C)C	222702168	573941092	/nfs/dbraw/zinc/94/10/92/573941092.db2.gz	LDILEWMIILNYSM-WWQCOOJYSA-N	0	0	170.296	3.140	10	0		AGAERN
CCC1=C2CCCC[C@H]2CC[C@H]1O	238200543	573941152	/nfs/dbraw/zinc/94/11/52/573941152.db2.gz	QBAMBFQSCXZVFT-JOYOIKCWSA-N	0	0	180.291	3.038	10	0		AGAERN
CC(=O)CC(F)(F)c1ccccc1C	257906534	573941167	/nfs/dbraw/zinc/94/11/67/573941167.db2.gz	WLIIWVPIZJNKLA-UHFFFAOYSA-N	0	0	198.212	3.066	10	0		AGAERN
CC1(C)CCCC2=C1CC[C@H](O)C2	238200774	573941268	/nfs/dbraw/zinc/94/12/68/573941268.db2.gz	YBXUOKGEQHJDOO-JTQLQIEISA-N	0	0	180.291	3.038	10	0		AGAERN
CC1(C)CCCC2=C1C[C@H](O)CC2	238200854	573941425	/nfs/dbraw/zinc/94/14/25/573941425.db2.gz	IRQQBHRDPAATJD-SNVBAGLBSA-N	0	0	180.291	3.038	10	0		AGAERN
CC1(C)CCC[C@H](C(C)(C)CO)C1	238214524	573941468	/nfs/dbraw/zinc/94/14/68/573941468.db2.gz	HCTOJSWFVUDHCP-JTQLQIEISA-N	0	0	184.323	3.221	10	0		AGAERN
CCCC1=CCCC(=O)[C@@H](C)C1	238201398	573941474	/nfs/dbraw/zinc/94/14/74/573941474.db2.gz	OCXFOLIVTYHBEZ-VIFPVBQESA-N	0	0	166.264	3.102	10	0		AGAERN
Cc1sccc1[C@H](O)[C@@H]1CC1(C)C	235821221	573941499	/nfs/dbraw/zinc/94/14/99/573941499.db2.gz	HLEPQERDKWUQTC-UWVGGRQHSA-N	0	0	196.315	3.136	10	0		AGAERN
CCCC1=CCCC[C@H]1C(C)=O	238201513	573941735	/nfs/dbraw/zinc/94/17/35/573941735.db2.gz	UEBVJDFSSQZUJN-NSHDSACASA-N	0	0	166.264	3.102	10	0		AGAERN
CC1=C2CCCCC[C@](C)(CC1)[C@@H]2O	238215054	573941783	/nfs/dbraw/zinc/94/17/83/573941783.db2.gz	SDBXFLNKBPEPMG-CHWSQXEVSA-N	0	0	194.318	3.428	10	0		AGAERN
CC1([C@@H](O)c2ccc(Cl)cc2)CC1	87549902	573946111	/nfs/dbraw/zinc/94/61/11/573946111.db2.gz	MAAMIOGVRHGDRZ-JTQLQIEISA-N	0	0	196.677	3.174	10	0		AGAERN
CC1(C(=O)c2ccccc2Cl)CC1	87549346	573946227	/nfs/dbraw/zinc/94/62/27/573946227.db2.gz	BFHOMLAVDBPIQM-UHFFFAOYSA-N	0	0	194.661	3.323	10	0		AGAERN
CC1([C@@H](O)c2cccc(Cl)c2)CC1	87549950	573946242	/nfs/dbraw/zinc/94/62/42/573946242.db2.gz	OBPCWJGQZJFEBM-JTQLQIEISA-N	0	0	196.677	3.174	10	0		AGAERN
CC1([C@H](O)c2ccccc2Cl)CC1	87550404	573946321	/nfs/dbraw/zinc/94/63/21/573946321.db2.gz	SOVFAHJSTPOSJR-SNVBAGLBSA-N	0	0	196.677	3.174	10	0		AGAERN
Cc1ccc2c(c1)NC(C)(C)[C@@H](C)C2	258186269	573946322	/nfs/dbraw/zinc/94/63/22/573946322.db2.gz	NDUZJLFQINNQTK-JTQLQIEISA-N	0	0	189.302	3.378	10	0		AGAERN
Cc1ccc([C@@H](O)C2(C)CC2)c(C)c1	87550074	573946361	/nfs/dbraw/zinc/94/63/61/573946361.db2.gz	DXOLPBSFYFANAU-GFCCVEGCSA-N	0	0	190.286	3.137	10	0		AGAERN
Cc1cc(C)cc(C(=O)C2(C)CC2)c1	87549264	573946366	/nfs/dbraw/zinc/94/63/66/573946366.db2.gz	ZSRXTGYOOCLMMJ-UHFFFAOYSA-N	0	0	188.270	3.286	10	0		AGAERN
C[C@H]1C[C@H](C(=O)C2(C)CC2)CC[C@H]1C	87549367	573946415	/nfs/dbraw/zinc/94/64/15/573946415.db2.gz	WINXBKMWYUUYMB-OUAUKWLOSA-N	0	0	194.318	3.428	10	0		AGAERN
C[C@@H]1CCC[C@@H](C(=O)C2(C)CC2)C1	87549280	573946445	/nfs/dbraw/zinc/94/64/45/573946445.db2.gz	LWEJHFHXXMDGRB-NXEZZACHSA-N	0	0	180.291	3.182	10	0		AGAERN
C[C@@H]1CC(C(=O)C2(C)CC2)C[C@@H](C)C1	87548918	573946451	/nfs/dbraw/zinc/94/64/51/573946451.db2.gz	MSXKKLYUZBVOBV-UWVGGRQHSA-N	0	0	194.318	3.428	10	0		AGAERN
Cc1ccc([C@H](O)C2(C)CC2)cc1C	87549753	573946469	/nfs/dbraw/zinc/94/64/69/573946469.db2.gz	SENPBGHAWUCVJH-LBPRGKRZSA-N	0	0	190.286	3.137	10	0		AGAERN
Cc1cccc([C@@H](O)C2(C)CC2)c1C	87549776	573946547	/nfs/dbraw/zinc/94/65/47/573946547.db2.gz	JKFRITYGEJNTIY-GFCCVEGCSA-N	0	0	190.286	3.137	10	0		AGAERN
CCc1ccc([C@@H](O)C2(C)CC2)cc1	87550030	573946642	/nfs/dbraw/zinc/94/66/42/573946642.db2.gz	OZTDEXSTYYBXOO-GFCCVEGCSA-N	0	0	190.286	3.083	10	0		AGAERN
Cc1cccc(Cl)c1OC(C)C	238206252	573947907	/nfs/dbraw/zinc/94/79/07/573947907.db2.gz	MVTOHAJQFZIPSU-UHFFFAOYSA-N	0	0	184.666	3.436	10	0		AGAERN
CC(C)[C@]1(C)C[C@@H](O)CC(C)(C)C1	238208485	573951924	/nfs/dbraw/zinc/95/19/24/573951924.db2.gz	YHCQQIINIYPBRC-CMPLNLGQSA-N	0	0	184.323	3.220	10	0		AGAERN
CC[C@H](C)n1nc(C)c(C)c1Cl	85019410	573951947	/nfs/dbraw/zinc/95/19/47/573951947.db2.gz	JMOJIDTXDBBDRH-LURJTMIESA-N	0	0	186.686	3.124	10	0		AGAERN
Cc1cc(OC(C)C)c(C)cc1F	238208255	573952001	/nfs/dbraw/zinc/95/20/01/573952001.db2.gz	UYWQLNOTYQLOPT-UHFFFAOYSA-N	0	0	182.238	3.230	10	0		AGAERN
Cc1nn([C@H](C)C2CC2)c(Cl)c1C	85019533	573952023	/nfs/dbraw/zinc/95/20/23/573952023.db2.gz	VUPZXMVNKJBHSG-MRVPVSSYSA-N	0	0	198.697	3.124	10	0		AGAERN
CC(=C=C1CCCC[C@@H]1O)C(C)C	238207889	573952106	/nfs/dbraw/zinc/95/21/06/573952106.db2.gz	IISSBKXUJBWRIW-MYIOLCAUSA-N	0	0	180.291	3.049	10	0		AGAERN
CC(C)C(C)(C)[C@@H]1CCCC[C@@H]1O	238207108	573952223	/nfs/dbraw/zinc/95/22/23/573952223.db2.gz	IAVZOXVOMOBWCU-MNOVXSKESA-N	0	0	184.323	3.220	10	0		AGAERN
CC(=C=C1CCCC[C@H]1O)C(C)C	238207904	573952401	/nfs/dbraw/zinc/95/24/01/573952401.db2.gz	IISSBKXUJBWRIW-LESKNEHBSA-N	0	0	180.291	3.049	10	0		AGAERN
CCc1cc(Cl)n([C@@H](C)C2CC2)n1	85019583	573952443	/nfs/dbraw/zinc/95/24/43/573952443.db2.gz	KPMNVCYYMUYFDI-ZETCQYMHSA-N	0	0	198.697	3.070	10	0		AGAERN
CC(C)C[C@]1(O)CCC[C@H](C2CC2)C1	81647323	573956063	/nfs/dbraw/zinc/95/60/63/573956063.db2.gz	ZDTHLQSIEDMPKM-QWHCGFSZSA-N	0	0	196.334	3.364	10	0		AGAERN
CC(C)C[C@@]1(O)CCC[C@@H](C2CC2)C1	81647330	573955407	/nfs/dbraw/zinc/95/54/07/573955407.db2.gz	ZDTHLQSIEDMPKM-OLZOCXBDSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC[C@]1(O)CCC[C@@H](C2CC2)C1	81646942	573956066	/nfs/dbraw/zinc/95/60/66/573956066.db2.gz	SGPHIPMGVJZBDW-NEPJUHHUSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@H]1C[C@@H](C(=O)CC2CC2)CC[C@H]1C	87580947	573955543	/nfs/dbraw/zinc/95/55/43/573955543.db2.gz	MUBMQRXJKXMYBC-SCVCMEIPSA-N	0	0	194.318	3.428	10	0		AGAERN
CC1(C)CCCC2=C(CCC2)[C@@H]1O	238209932	573955613	/nfs/dbraw/zinc/95/56/13/573955613.db2.gz	XEVOCWOXQKCZCJ-NSHDSACASA-N	0	0	180.291	3.038	10	0		AGAERN
Cc1cccc(C(=O)CC2CC2)c1C	87580926	573955635	/nfs/dbraw/zinc/95/56/35/573955635.db2.gz	CFHFCVIJDNQLJP-UHFFFAOYSA-N	0	0	188.270	3.286	10	0		AGAERN
CCC[C@@]1(O)CCC[C@@H](C2CC2)C1	81646945	573955659	/nfs/dbraw/zinc/95/56/59/573955659.db2.gz	SGPHIPMGVJZBDW-VXGBXAGGSA-N	0	0	182.307	3.118	10	0		AGAERN
C[C@@H]1CC(C(=O)CC2CC2)C[C@@H](C)C1	87580672	573955742	/nfs/dbraw/zinc/95/57/42/573955742.db2.gz	OLJHIDBPYFFINV-UWVGGRQHSA-N	0	0	194.318	3.428	10	0		AGAERN
CC1(C)CCC=C2CC(=O)CC[C@@H]21	238209656	573955884	/nfs/dbraw/zinc/95/58/84/573955884.db2.gz	QTEMPFSRYRWVSZ-NSHDSACASA-N	0	0	178.275	3.102	10	0		AGAERN
CCCCCCC(=O)CC1CC1	87580840	573955930	/nfs/dbraw/zinc/95/59/30/573955930.db2.gz	KJFJZXCFBJHXBK-UHFFFAOYSA-N	0	0	168.280	3.326	10	0		AGAERN
CC1=C(CO)C[C@H](C(C)(C)C)CC1	238210017	573956006	/nfs/dbraw/zinc/95/60/06/573956006.db2.gz	GCXCYYNXWPIWTK-LLVKDONJSA-N	0	0	182.307	3.141	10	0		AGAERN
CCC[C@@]1(O)CCC[C@H](C2CC2)C1	81646941	573956089	/nfs/dbraw/zinc/95/60/89/573956089.db2.gz	SGPHIPMGVJZBDW-NWDGAFQWSA-N	0	0	182.307	3.118	10	0		AGAERN
CC/C=C(/CC)c1ccccc1N	238217112	573963400	/nfs/dbraw/zinc/96/34/00/573963400.db2.gz	VJAZRYKIJICHIS-YFHOEESVSA-N	0	0	175.275	3.472	10	0		AGAERN
CCC=C=C(C)[C@H](O)c1ccccc1	238216447	573963624	/nfs/dbraw/zinc/96/36/24/573963624.db2.gz	ZWJOCIKXTDUQBK-RLROJCQXSA-N	0	0	188.270	3.231	10	0		AGAERN
CC/C=C(/C)[C@H](O)C1=CCCCC1	238216487	573963675	/nfs/dbraw/zinc/96/36/75/573963675.db2.gz	JPEZRLHHMJYYPJ-UMAGTOLTSA-N	0	0	180.291	3.204	10	0		AGAERN
CC1(C)CCC[C@@]2(C)[C@H]1CCC[C@H]2O	238219129	573965595	/nfs/dbraw/zinc/96/55/95/573965595.db2.gz	XEXHTLZDQKEMHI-LOWVWBTDSA-N	0	0	196.334	3.364	10	0		AGAERN
CCC(CC)CC(=O)CC(F)(F)F	127890884	573965631	/nfs/dbraw/zinc/96/56/31/573965631.db2.gz	YYCJHRUXRQZLFZ-UHFFFAOYSA-N	0	0	196.212	3.334	10	0		AGAERN
CCC/C=C/[C@]1(C)CCC(=O)C1	238218172	573965679	/nfs/dbraw/zinc/96/56/79/573965679.db2.gz	STXZCKAKHVZWCB-OKPNEXGHSA-N	0	0	166.264	3.102	10	0		AGAERN
CCC/C=C1/CCCCC[C@@H]1O	238218294	573966008	/nfs/dbraw/zinc/96/60/08/573966008.db2.gz	VBWRHWIWAGODTG-BRNRAETOSA-N	0	0	168.280	3.038	10	0		AGAERN
CC1(C)CCC[C@]23C[C@H](O)CC[C@]12C3	238219362	573966056	/nfs/dbraw/zinc/96/60/56/573966056.db2.gz	MALOEDREWLGBDX-RTXFEEFZSA-N	0	0	194.318	3.118	10	0		AGAERN
CC(C)[C@@H]1CCCC[C@@H]1C[C@H](C)CO	256081223	573976447	/nfs/dbraw/zinc/97/64/47/573976447.db2.gz	FJLMKTWTPFOFCT-XQQFMLRXSA-N	0	0	198.350	3.467	10	0		AGAERN
Cc1ccc(C)c2c1CC[C@H](C)C2	104404943	573976572	/nfs/dbraw/zinc/97/65/72/573976572.db2.gz	CMWCSSCXHBQEPX-VIFPVBQESA-N	0	0	174.287	3.428	10	0		AGAERN
Cc1ccc(C)c2c1CC[C@@H](C)C2	104404946	573976615	/nfs/dbraw/zinc/97/66/15/573976615.db2.gz	CMWCSSCXHBQEPX-SECBINFHSA-N	0	0	174.287	3.428	10	0		AGAERN
CC1(C)CC[C@]2(CO)CCCC=C2C1	238221361	573976620	/nfs/dbraw/zinc/97/66/20/573976620.db2.gz	MLIMFENFXXRASS-ZDUSSCGKSA-N	0	0	194.318	3.286	10	0		AGAERN
CCC[C@@H]1Nc2ccccc2[C@H]1C	238221713	573976700	/nfs/dbraw/zinc/97/67/00/573976700.db2.gz	GEZURHQGAYPNKY-KOLCDFICSA-N	0	0	175.275	3.384	10	0		AGAERN
C=Cc1ccccc1[C@@H](O)C(C)C	238220893	573976871	/nfs/dbraw/zinc/97/68/71/573976871.db2.gz	ZLQOBUPOZSGZJR-LBPRGKRZSA-N	0	0	176.259	3.019	10	0		AGAERN
CCC[C@H]1CCCCCCC1=O	82053499	573984061	/nfs/dbraw/zinc/98/40/61/573984061.db2.gz	CMWJPWDLMKFILT-JTQLQIEISA-N	0	0	168.280	3.326	10	0		AGAERN
CC(C)c1c[nH]c2ncc(Cl)cc12	238225580	573984646	/nfs/dbraw/zinc/98/46/46/573984646.db2.gz	QISFHPYPQBVFDR-UHFFFAOYSA-N	0	0	194.665	3.340	10	0		AGAERN
C1=CC2(C=C1)C[C@@H]2c1ccccc1	104452005	573984682	/nfs/dbraw/zinc/98/46/82/573984682.db2.gz	XPBASLQLELWJJU-GFCCVEGCSA-N	0	0	168.239	3.286	10	0		AGAERN
CCC1(CC)CCC(C)(C)[C@H](O)C1	238224524	573984761	/nfs/dbraw/zinc/98/47/61/573984761.db2.gz	FBUSBQHBHIENHK-SNVBAGLBSA-N	0	0	184.323	3.364	10	0		AGAERN
CCCCC[C@H](C)n1cccc1C=O	42572816	573984803	/nfs/dbraw/zinc/98/48/03/573984803.db2.gz	NAYPUVDRBYHCAB-NSHDSACASA-N	0	0	193.290	3.442	10	0		AGAERN
CC(=O)c1ccc(O)c(C(C)C)c1C	238225159	573985639	/nfs/dbraw/zinc/98/56/39/573985639.db2.gz	KCZYDUXOKDXNJP-UHFFFAOYSA-N	0	0	192.258	3.027	10	0		AGAERN
CC1=CC(C)(C)Nc2snc(C)c21	238224400	573985700	/nfs/dbraw/zinc/98/57/00/573985700.db2.gz	LQNKBMPVOFVBRN-UHFFFAOYSA-N	0	0	194.303	3.059	10	0		AGAERN
CCc1c(C)c(C)cc(C)c1C	82044519	573985023	/nfs/dbraw/zinc/98/50/23/573985023.db2.gz	LMIRBWGPXXKACM-UHFFFAOYSA-N	0	0	162.276	3.483	10	0		AGAERN
CCCCC[C@@H](C)n1cccc1C=O	42572814	573985063	/nfs/dbraw/zinc/98/50/63/573985063.db2.gz	NAYPUVDRBYHCAB-LLVKDONJSA-N	0	0	193.290	3.442	10	0		AGAERN
CCCSC[C@@H](F)C(F)(F)F	393601563	573985277	/nfs/dbraw/zinc/98/52/77/573985277.db2.gz	UFZVVLXUYDAJIV-RXMQYKEDSA-N	0	0	190.205	3.030	10	0		AGAERN
CC(C)[C@H]1C(=S)Nc2ccccc21	238225081	573985480	/nfs/dbraw/zinc/98/54/80/573985480.db2.gz	TXDVRNJJWKTCDB-SNVBAGLBSA-N	0	0	191.299	3.179	10	0		AGAERN
Cc1ccc(O)c([C@@H](C)C(C)C)c1	238225363	573985525	/nfs/dbraw/zinc/98/55/25/573985525.db2.gz	JKMBBGFTDVWCOQ-JTQLQIEISA-N	0	0	178.275	3.460	10	0		AGAERN
CCCCC[C@H](C)n1cn[nH]c1=S	42572229	573985542	/nfs/dbraw/zinc/98/55/42/573985542.db2.gz	QWNIRPHTZHGFBE-QMMMGPOBSA-N	0	0	199.323	3.082	10	0		AGAERN
CC(C)[C@H]1C(=O)CCCC1(C)C	238224747	573985585	/nfs/dbraw/zinc/98/55/85/573985585.db2.gz	CGXYTHXKKSGALS-JTQLQIEISA-N	0	0	168.280	3.038	10	0		AGAERN
CCC[C@](C)(O)[C@H]1CCC[C@H](C)C1	87648517	573990881	/nfs/dbraw/zinc/99/08/81/573990881.db2.gz	FOROUHDBFMDPKW-SRVKXCTJSA-N	0	0	184.323	3.364	10	0		AGAERN
CC1=CCC[C@H]1[C@H]1CCCCC1=O	238233015	573991076	/nfs/dbraw/zinc/99/10/76/573991076.db2.gz	WOBTYWMKDIVESL-GHMZBOCLSA-N	0	0	178.275	3.102	10	0		AGAERN
CCC[C@H](O)c1sccc1Cl	87623153	573991134	/nfs/dbraw/zinc/99/11/34/573991134.db2.gz	CFAOGMICNBRTQV-ZETCQYMHSA-N	0	0	190.695	3.235	10	0		AGAERN
CC1=CCCc2c(F)ccc(F)c21	238233725	573991173	/nfs/dbraw/zinc/99/11/73/573991173.db2.gz	MKYFRJUCGMQJPT-UHFFFAOYSA-N	0	0	180.197	3.314	10	0		AGAERN
CC1=CCCc2c(O)cc(C)cc21	238233744	573991227	/nfs/dbraw/zinc/99/12/27/573991227.db2.gz	SENKENPBAMWYJN-UHFFFAOYSA-N	0	0	174.243	3.050	10	0		AGAERN
CCCS/C(Cl)=C/Cl	238234309	573995927	/nfs/dbraw/zinc/99/59/27/573995927.db2.gz	BCLKQCAZZQNPQF-SNAWJCMRSA-N	0	0	171.092	3.406	10	0		AGAERN
S=C1CSC(C2CCCCC2)=N1	259261353	573995769	/nfs/dbraw/zinc/99/57/69/573995769.db2.gz	KUILTWMHPHEAIU-UHFFFAOYSA-N	0	0	199.344	3.480	10	0		AGAERN
CCCC(=O)[C@@H](C)c1ccc(C)cc1	211792084	574001083	/nfs/dbraw/zinc/00/10/83/574001083.db2.gz	JKAKEMWTMMUBMK-NSHDSACASA-N	0	0	190.286	3.468	10	0		AGAERN
CCC1=C(CC)[C@@H]2C(=O)CCC[C@@H]12	238238109	574001325	/nfs/dbraw/zinc/00/13/25/574001325.db2.gz	QLWVFTCVEQPGQE-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
CCCc1cc2c(c(C)c1O)CCC2	238239147	574005572	/nfs/dbraw/zinc/00/55/72/574005572.db2.gz	HVAHFKOJOIFLRV-UHFFFAOYSA-N	0	0	190.286	3.142	10	0		AGAERN
CCCSc1ccc(O)cc1C	238239264	574005667	/nfs/dbraw/zinc/00/56/67/574005667.db2.gz	AKKYPUFGIUZAJQ-UHFFFAOYSA-N	0	0	182.288	3.203	10	0		AGAERN
CSc1cc(C)c(C)cc1[C@@H](C)O	258203316	574008124	/nfs/dbraw/zinc/00/81/24/574008124.db2.gz	YQQIIOQCBIMXIO-SECBINFHSA-N	0	0	196.315	3.079	10	0		AGAERN
CCC1=CCC(C)(C)[C@H](O)C1(C)C	238239938	574007615	/nfs/dbraw/zinc/00/76/15/574007615.db2.gz	GAXWWIGSGLCSAC-JTQLQIEISA-N	0	0	182.307	3.140	10	0		AGAERN
CCCCc1ccc(F)cc1	111335460	574007618	/nfs/dbraw/zinc/00/76/18/574007618.db2.gz	MQISNDAUWVHJML-UHFFFAOYSA-N	0	0	152.212	3.168	10	0		AGAERN
CCC[C@@H]1C(=O)C[C@H](C)[C@@H]1CC	238239769	574007660	/nfs/dbraw/zinc/00/76/60/574007660.db2.gz	HFLRCKZPADKFEX-GUBZILKMSA-N	0	0	168.280	3.038	10	0		AGAERN
CCCc1cc2cccc(OC)c2[nH]1	238240097	574007756	/nfs/dbraw/zinc/00/77/56/574007756.db2.gz	HSSBFQBKDULTNF-UHFFFAOYSA-N	0	0	189.258	3.129	10	0		AGAERN
CCC[C@@H]1C(=O)C[C@@H](C)[C@@H]1CC	238239799	574007760	/nfs/dbraw/zinc/00/77/60/574007760.db2.gz	HFLRCKZPADKFEX-UTLUCORTSA-N	0	0	168.280	3.038	10	0		AGAERN
c1ccc2c3c(oc2c1)CCCS3	104490015	574007773	/nfs/dbraw/zinc/00/77/73/574007773.db2.gz	KGRUVTVVUKNSRX-UHFFFAOYSA-N	0	0	190.267	3.471	10	0		AGAERN
Cc1ccc(C)n1C[C@@H]1CCCS1	87669879	574007835	/nfs/dbraw/zinc/00/78/35/574007835.db2.gz	ZDFQJUGFSGXSPK-NSHDSACASA-N	0	0	195.331	3.001	10	0		AGAERN
O=C(C1CCCC1)[C@@H]1CCCCS1	87680690	574007872	/nfs/dbraw/zinc/00/78/72/574007872.db2.gz	MSBXVFRNGVGPIT-JTQLQIEISA-N	0	0	198.331	3.031	10	0		AGAERN
Cc1cc(C)cc2cccc-2c1	111344922	574007884	/nfs/dbraw/zinc/00/78/84/574007884.db2.gz	UOMIRMOUTXPRSR-UHFFFAOYSA-N	0	0	156.228	3.408	10	0		AGAERN
CCCc1cc2c(cc1O)CCCC2	238239134	574007928	/nfs/dbraw/zinc/00/79/28/574007928.db2.gz	IWXGLRCAFPZZTM-UHFFFAOYSA-N	0	0	190.286	3.224	10	0		AGAERN
c1cnc2ccc3sccc3c2c1	104494169	574008656	/nfs/dbraw/zinc/00/86/56/574008656.db2.gz	DBAKEZYZWPGPHH-UHFFFAOYSA-N	0	0	185.251	3.450	10	0		AGAERN
CC1=CCc2c(O)ccc(Cl)c21	238245781	574008684	/nfs/dbraw/zinc/00/86/84/574008684.db2.gz	VZSHBXNGUFCBGG-UHFFFAOYSA-N	0	0	180.634	3.005	10	0		AGAERN
Nc1cc2c3c4c1CC[C@H]4CC[C@@H]3CC2	238572870	574008434	/nfs/dbraw/zinc/00/84/34/574008434.db2.gz	IIIKYJXNQLGUDY-RKDXNWHRSA-N	0	0	199.297	3.122	10	0		AGAERN
CC1=C(C)C[C@]2(C)C(=O)CC[C@H]2C1	238246322	574008437	/nfs/dbraw/zinc/00/84/37/574008437.db2.gz	VKBHBNXSPKUKIF-JQWIXIFHSA-N	0	0	178.275	3.102	10	0		AGAERN
CCCC(=O)c1cccc(O)c1Cl	238246489	574008513	/nfs/dbraw/zinc/00/85/13/574008513.db2.gz	LLGRYCYRWWRXAQ-UHFFFAOYSA-N	0	0	198.649	3.028	10	0		AGAERN
CC(C)c1ccc2c(c1)CCCC2=O	104508778	574018475	/nfs/dbraw/zinc/01/84/75/574018475.db2.gz	QKJXUPWAONTKTA-UHFFFAOYSA-N	0	0	188.270	3.329	10	0		AGAERN
O=C(CC1CCC1)[C@H]1CCCCS1	87701692	574018488	/nfs/dbraw/zinc/01/84/88/574018488.db2.gz	OIHDCYNGIDISMR-LLVKDONJSA-N	0	0	198.331	3.031	10	0		AGAERN
CCc1ccc([C@@H](O)CC)cc1CC	128086236	574018513	/nfs/dbraw/zinc/01/85/13/574018513.db2.gz	SELYPGMFYPMGLI-ZDUSSCGKSA-N	0	0	192.302	3.255	10	0		AGAERN
CC1=C[C@H](C)[C@@]2(CCC[C@]2(C)O)CC1	256575707	574018611	/nfs/dbraw/zinc/01/86/11/574018611.db2.gz	SKKHYMJJTMOMNK-RWMBFGLXSA-N	0	0	194.318	3.284	10	0		AGAERN
O=C(C1CCCCCCC1)C1CC1	87690007	574018652	/nfs/dbraw/zinc/01/86/52/574018652.db2.gz	PUTRPLSGLJPPBX-UHFFFAOYSA-N	0	0	180.291	3.326	10	0		AGAERN
Nc1ccc([C@H]2C[C@H]3CC[C@@H]2C3)cc1	104505507	574018810	/nfs/dbraw/zinc/01/88/10/574018810.db2.gz	FOMRWCZMUDUMSQ-UFGOTCBOSA-N	0	0	187.286	3.172	10	0		AGAERN
CC(C)c1cccc2c1CCCC2=O	104507505	574018953	/nfs/dbraw/zinc/01/89/53/574018953.db2.gz	VDEZVNYPOMGMTM-UHFFFAOYSA-N	0	0	188.270	3.329	10	0		AGAERN
Cc1cc(Cl)c2c(c1)CCCC2=O	104508785	574019005	/nfs/dbraw/zinc/01/90/05/574019005.db2.gz	CDIVSSMJXSBCSU-UHFFFAOYSA-N	0	0	194.661	3.167	10	0		AGAERN
CCCC/C(F)=C(/F)[C@@H](O)CCC	222785623	574023542	/nfs/dbraw/zinc/02/35/42/574023542.db2.gz	OUIFOBHZNDGHTK-CUQRQBARSA-N	0	0	192.249	3.488	10	0		AGAERN
CCC[C@H](C)c1cc(Cl)on1	87724001	574023617	/nfs/dbraw/zinc/02/36/17/574023617.db2.gz	JKABQIMZWAKWHU-LURJTMIESA-N	0	0	173.643	3.232	10	0		AGAERN
Cc1ccc2cc(N)ccc2c1C	143826301	574032880	/nfs/dbraw/zinc/03/28/80/574032880.db2.gz	OLDTZTUMRLWLMQ-UHFFFAOYSA-N	0	0	171.243	3.039	10	0		AGAERN
CCCc1ccc2cc(N)ccc2c1	143826047	574033162	/nfs/dbraw/zinc/03/31/62/574033162.db2.gz	INEXRPUAULVOTC-UHFFFAOYSA-N	0	0	185.270	3.375	10	0		AGAERN
CCC(C)(C)Nc1ccc(Cl)cn1	85316306	574033245	/nfs/dbraw/zinc/03/32/45/574033245.db2.gz	WCQXWAVALREDQG-UHFFFAOYSA-N	0	0	198.697	3.336	10	0		AGAERN
C(=C/c1ccc[nH]1)\c1ccsc1	143758880	574033321	/nfs/dbraw/zinc/03/33/21/574033321.db2.gz	ZLGRGCMFIKLNTO-ONEGZZNKSA-N	0	0	175.256	3.247	10	0		AGAERN
CNc1csc(-c2ccccc2)c1	143833924	574033592	/nfs/dbraw/zinc/03/35/92/574033592.db2.gz	ZKMYYVWDOZLAQR-UHFFFAOYSA-N	0	0	189.283	3.457	10	0		AGAERN
CC1(C)CC(=CCO)CC(C)(C)C1	143808110	574033730	/nfs/dbraw/zinc/03/37/30/574033730.db2.gz	CJIADEWVPDCPPX-UHFFFAOYSA-N	0	0	182.307	3.141	10	0		AGAERN
CC[C@]1(C)C=Cc2ccccc2N1	143756883	574033790	/nfs/dbraw/zinc/03/37/90/574033790.db2.gz	AVSGANROQXWPIY-GFCCVEGCSA-N	0	0	173.259	3.294	10	0		AGAERN
CCC(C)(C)C(=O)C[C@@H]1CC[C@@H]2C[C@H]12	716961426	574034460	/nfs/dbraw/zinc/03/44/60/574034460.db2.gz	XHOKJEXFIKSLNF-VWYCJHECSA-N	0	0	194.318	3.428	10	0		AGAERN
CC1=C(C)C[C@]2(CCCC2=O)CC1	143843232	574034766	/nfs/dbraw/zinc/03/47/66/574034766.db2.gz	WKKUQVUSBCCZHA-LBPRGKRZSA-N	0	0	178.275	3.246	10	0		AGAERN
CC(=O)CC/C=C(\C)C=C(C)C	215520291	574039455	/nfs/dbraw/zinc/03/94/55/574039455.db2.gz	OCDPCVFHPQLINR-UXBLZVDNSA-N	0	0	166.264	3.268	10	0		AGAERN
CCCC(F)(F)c1cccc(O)c1	259293099	574040040	/nfs/dbraw/zinc/04/00/40/574040040.db2.gz	CFCKUQUOPUIYHG-UHFFFAOYSA-N	0	0	186.201	3.284	10	0		AGAERN
CC(=O)CC/C=C(/C)C=C(C)C	215520246	574039553	/nfs/dbraw/zinc/03/95/53/574039553.db2.gz	OCDPCVFHPQLINR-POHAHGRESA-N	0	0	166.264	3.268	10	0		AGAERN
CC[C@@H](c1cc(O)cc(O)c1)C(C)C	113040474	574044105	/nfs/dbraw/zinc/04/41/05/574044105.db2.gz	NPJYNYLDNQJJMD-GFCCVEGCSA-N	0	0	194.274	3.247	10	0		AGAERN
CCCCc1c(C)cccc1O	113023965	574044399	/nfs/dbraw/zinc/04/43/99/574044399.db2.gz	ASLNDVUAZOHADR-UHFFFAOYSA-N	0	0	164.248	3.043	10	0		AGAERN
CC[C@H](c1cc(O)cc(O)c1)C(C)C	113040472	574044627	/nfs/dbraw/zinc/04/46/27/574044627.db2.gz	NPJYNYLDNQJJMD-LBPRGKRZSA-N	0	0	194.274	3.247	10	0		AGAERN
CC[C@H](C)C[C@@H](CC)C(C)=O	50425980	517817780	/nfs/dbraw/zinc/81/77/80/517817780.db2.gz	OKKZICOKKOJCRT-WCBMZHEXSA-N	0	0	156.269	3.038	10	0		AGAERN
CCc1ccc2nc(C)sc2c1	45237993	517853577	/nfs/dbraw/zinc/85/35/77/517853577.db2.gz	HKMHIFQWLMRSBA-UHFFFAOYSA-N	0	0	177.272	3.167	10	0		AGAERN
CCCCC/C=C\C[C@H]1CCC(=O)O1	31290836	519917463	/nfs/dbraw/zinc/91/74/63/519917463.db2.gz	QFXOXDSHNXAFEY-ZADCQDASSA-N	0	0	196.290	3.219	10	0	endogenous,in-man	AGAERN
CC1(C)CCC[C@]2(C)[C@H](O)C=CC[C@H]12	252609839	520364136	/nfs/dbraw/zinc/36/41/36/520364136.db2.gz	HWADAVOOYLUVSY-WZRBSPASSA-N	0	0	194.318	3.140	10	0		AGAERN
CSCCSc1cccs1	306710477	629671616	/nfs/dbraw/zinc/67/16/16/629671616.db2.gz	MWWZWSCGLFCNMS-UHFFFAOYSA-N	0	0	190.358	3.203	10	0		AGAERN
CSCSC(C)(C)C(C)C	306791630	629677826	/nfs/dbraw/zinc/67/78/26/629677826.db2.gz	YJWWXDXJAYCOMO-UHFFFAOYSA-N	0	0	178.366	3.475	10	0		AGAERN
CC[C@@H](C)SC1=N[C@H](C)CS1	306235893	629686882	/nfs/dbraw/zinc/68/68/82/629686882.db2.gz	DVXIQFMMEGZFRG-RNFRBKRXSA-N	0	0	189.349	3.009	10	0		AGAERN
CC[C@H](C)SC1=N[C@H](C)CS1	306235894	629687545	/nfs/dbraw/zinc/68/75/45/629687545.db2.gz	DVXIQFMMEGZFRG-RQJHMYQMSA-N	0	0	189.349	3.009	10	0		AGAERN
CC[C@@H](C)SC1=N[C@@H](C)CS1	306235892	629689561	/nfs/dbraw/zinc/68/95/61/629689561.db2.gz	DVXIQFMMEGZFRG-NKWVEPMBSA-N	0	0	189.349	3.009	10	0		AGAERN
CCOC(=O)/C=C1/CCC[C@H](C)CC1	757188114	629721906	/nfs/dbraw/zinc/72/19/06/629721906.db2.gz	IBXORRLNJRWNNV-RGAIUGGKSA-N	0	0	196.290	3.076	10	0		AGAERN
Cc1ccc(F)c2c1[C@@H](C)CCC2=O	757186018	629722290	/nfs/dbraw/zinc/72/22/90/629722290.db2.gz	FJDBMLKIWNNGKG-QMMMGPOBSA-N	0	0	192.233	3.214	10	0		AGAERN
CCOC(=O)/C=C1/CCC[C@@H](C)CC1	757188103	629723215	/nfs/dbraw/zinc/72/32/15/629723215.db2.gz	IBXORRLNJRWNNV-QLWWJYNRSA-N	0	0	196.290	3.076	10	0		AGAERN
Cc1cccc2c1C(=O)CCC21CC1	757185617	629723458	/nfs/dbraw/zinc/72/34/58/629723458.db2.gz	COXSOMPABXFRLS-UHFFFAOYSA-N	0	0	186.254	3.003	10	0		AGAERN
CCC/C(=C/C(=O)OCC)C(C)(C)C	757188713	629725064	/nfs/dbraw/zinc/72/50/64/629725064.db2.gz	DLBRCWYHMCGTLA-KTKRTIGZSA-N	0	0	198.306	3.322	10	0		AGAERN
Cc1cc(F)cc2c1C(=O)CC[C@@H]2C	757187598	629725424	/nfs/dbraw/zinc/72/54/24/629725424.db2.gz	JZBFWFXJJMYBGO-ZETCQYMHSA-N	0	0	192.233	3.214	10	0		AGAERN
Cc1ccc(F)c2c1[C@H](C)CCC2=O	757186017	629725495	/nfs/dbraw/zinc/72/54/95/629725495.db2.gz	FJDBMLKIWNNGKG-MRVPVSSYSA-N	0	0	192.233	3.214	10	0		AGAERN
Cc1cc(C=O)cc(-c2ccccc2)c1	757185543	629725641	/nfs/dbraw/zinc/72/56/41/629725641.db2.gz	AXIKDVDUQWSXNM-UHFFFAOYSA-N	0	0	196.249	3.475	10	0		AGAERN
COC(=O)/C=C(\C)C(C(C)C)C(C)C	757192716	629726473	/nfs/dbraw/zinc/72/64/73/629726473.db2.gz	QMQXAAYQSNRGLB-JXMROGBWSA-N	0	0	198.306	3.034	10	0		AGAERN
CC(C)[C@H](C)OC(=O)C1CCCCC1	144342139	629729353	/nfs/dbraw/zinc/72/93/53/629729353.db2.gz	VJIWTPJDGKMXCO-JTQLQIEISA-N	0	0	198.306	3.154	10	0		AGAERN
CCN(CC)c1cc2ccccc2[nH]1	143479921	629730509	/nfs/dbraw/zinc/73/05/09/629730509.db2.gz	RHRTWGPLEDNKEO-UHFFFAOYSA-N	0	0	188.274	3.014	10	0		AGAERN
Cc1cocc1-c1ccc(C=O)cc1	307029799	629736606	/nfs/dbraw/zinc/73/66/06/629736606.db2.gz	JKJFFAZJYNHQQP-UHFFFAOYSA-N	0	0	186.210	3.068	10	0		AGAERN
CCCSC/C(Cl)=C/Cl	307232901	629755772	/nfs/dbraw/zinc/75/57/72/629755772.db2.gz	CBZHLKNRFBIPAU-XQRVVYSFSA-N	0	0	185.119	3.449	10	0		AGAERN
Cc1ccnc(Cl)c1OCC(C)C	307282053	629758825	/nfs/dbraw/zinc/75/88/25/629758825.db2.gz	GVRPTOXQFDZFKD-UHFFFAOYSA-N	0	0	199.681	3.078	10	0		AGAERN
CSCCSCC=C(C)C	307282893	629759543	/nfs/dbraw/zinc/75/95/43/629759543.db2.gz	LHUOBTQCVBGCFS-UHFFFAOYSA-N	0	0	176.350	3.049	10	0		AGAERN
CC(C)CNc1cc(C2CC2)ccn1	307457887	629769018	/nfs/dbraw/zinc/76/90/18/629769018.db2.gz	ZUOZSZZAGHCZCV-UHFFFAOYSA-N	0	0	190.290	3.027	10	0		AGAERN
Cc1ccc(N(C)C/C=C/Cl)cc1	307462790	629769891	/nfs/dbraw/zinc/76/98/91/629769891.db2.gz	BRKAWMQQTLUYBS-FPYGCLRLSA-N	0	0	195.693	3.184	10	0		AGAERN
CCC[C@H](C)C(=O)O[C@H](C)C(C)C	149008199	629772370	/nfs/dbraw/zinc/77/23/70/629772370.db2.gz	NXEGHQIJJBROTH-VHSXEESVSA-N	0	0	186.295	3.010	10	0		AGAERN
CCC[C@H](C)C(=O)O[C@@H](C)C(C)C	149007841	629775289	/nfs/dbraw/zinc/77/52/89/629775289.db2.gz	NXEGHQIJJBROTH-UWVGGRQHSA-N	0	0	186.295	3.010	10	0		AGAERN
CC(C)[C@H](C)OC(=O)CC(C)(C)C	148815688	629775564	/nfs/dbraw/zinc/77/55/64/629775564.db2.gz	AJVVEGKTRJFRBD-VIFPVBQESA-N	0	0	186.295	3.010	10	0		AGAERN
Cc1cccc2c1C(=O)CC[C@H]2C	149900384	629783034	/nfs/dbraw/zinc/78/30/34/629783034.db2.gz	ALCCDSFRTLMBAP-MRVPVSSYSA-N	0	0	174.243	3.075	10	0		AGAERN
CC(C)C(C)(C)SCC(F)F	307565466	629785656	/nfs/dbraw/zinc/78/56/56/629785656.db2.gz	MOGKYHLSEPEECW-UHFFFAOYSA-N	0	0	182.279	3.419	10	0		AGAERN
CC(C)SCC(F)(F)C(F)F	307621000	629793390	/nfs/dbraw/zinc/79/33/90/629793390.db2.gz	BKVOELKSMDCYAF-UHFFFAOYSA-N	0	0	190.205	3.028	10	0		AGAERN
CCCCSC1=N[C@H](C)CS1	307666963	629802833	/nfs/dbraw/zinc/80/28/33/629802833.db2.gz	FXCGNIBWGIRUJU-SSDOTTSWSA-N	0	0	189.349	3.011	10	0		AGAERN
CCCCSC1=N[C@@H](C)CS1	307666964	629802879	/nfs/dbraw/zinc/80/28/79/629802879.db2.gz	FXCGNIBWGIRUJU-ZETCQYMHSA-N	0	0	189.349	3.011	10	0		AGAERN
C[C@@H]1CCC(=O)C[C@H]1c1ccccc1	165622965	629804997	/nfs/dbraw/zinc/80/49/97/629804997.db2.gz	VZUOMMJLXPZTRR-ZWNOBZJWSA-N	0	0	188.270	3.159	10	0		AGAERN
CC(C)c1cccc(-c2ncco2)c1	199237005	629818614	/nfs/dbraw/zinc/81/86/14/629818614.db2.gz	VINZTTUXWKTJKK-UHFFFAOYSA-N	0	0	187.242	3.465	10	0		AGAERN
CCSC(C)(C)C(C)C	33943819	629826040	/nfs/dbraw/zinc/82/60/40/629826040.db2.gz	RLKRCIKLAKFTRL-UHFFFAOYSA-N	0	0	146.299	3.174	10	0		AGAERN
CC1=CCCC(C)(C)C1	81915555	520854036	/nfs/dbraw/zinc/85/40/36/520854036.db2.gz	CHOOCIQDWNAXQQ-UHFFFAOYSA-N	0	0	124.227	3.143	10	0		AGAERN
CCOCSC(C)(C)C(C)C	307894765	629831334	/nfs/dbraw/zinc/83/13/34/629831334.db2.gz	HMGCCRIMKUXPQC-UHFFFAOYSA-N	0	0	176.325	3.148	10	0		AGAERN
CC(C)CCC(=O)OCC(C)(C)C	308140097	629836159	/nfs/dbraw/zinc/83/61/59/629836159.db2.gz	HWYFWQPNTKWWTQ-UHFFFAOYSA-N	0	0	186.295	3.012	10	0		AGAERN
CC(=O)O[C@@H](C)C[C@@H](C)CC(C)C	308153647	629839326	/nfs/dbraw/zinc/83/93/26/629839326.db2.gz	PUWDDMAAYDIENJ-UWVGGRQHSA-N	0	0	186.295	3.010	10	0		AGAERN
CC(=O)O[C@H](C)C[C@@H](C)CC(C)C	308153648	629840083	/nfs/dbraw/zinc/84/00/83/629840083.db2.gz	PUWDDMAAYDIENJ-VHSXEESVSA-N	0	0	186.295	3.010	10	0		AGAERN
CC[C@@H](C)CC(=O)O[C@@H](C)C(C)C	308308897	629855998	/nfs/dbraw/zinc/85/59/98/629855998.db2.gz	PYQDKPILQQLJEW-ZJUUUORDSA-N	0	0	186.295	3.010	10	0		AGAERN
CCCCC(=O)OC1CCCCCC1	77993615	629863129	/nfs/dbraw/zinc/86/31/29/629863129.db2.gz	JWKHRDUQQCUSLC-UHFFFAOYSA-N	0	0	198.306	3.443	10	0		AGAERN
CCCCOC(=O)C[C@@H](C)CCC	33951399	629882090	/nfs/dbraw/zinc/88/20/90/629882090.db2.gz	GTKBJPASOLCDLM-JTQLQIEISA-N	0	0	186.295	3.156	10	0		AGAERN
CCCCOC(=O)C[C@H](C)CCC	33951400	629882288	/nfs/dbraw/zinc/88/22/88/629882288.db2.gz	GTKBJPASOLCDLM-SNVBAGLBSA-N	0	0	186.295	3.156	10	0		AGAERN
CCCCOc1cc(Cl)ccc1N	51608939	629882942	/nfs/dbraw/zinc/88/29/42/629882942.db2.gz	NPNZSUKZVMLFDA-UHFFFAOYSA-N	0	0	199.681	3.101	10	0		AGAERN
CCCCCCOc1ccc(C)nc1	225753578	629887940	/nfs/dbraw/zinc/88/79/40/629887940.db2.gz	FTUNRXWWIRIOMD-UHFFFAOYSA-N	0	0	193.290	3.349	10	0		AGAERN
CC[C@H](C)OC(=O)/C=C(\C)C(C)(C)C	744059813	629897185	/nfs/dbraw/zinc/89/71/85/629897185.db2.gz	GPIPJBOEYZFJKU-DDXVTDLHSA-N	0	0	198.306	3.321	10	0		AGAERN
CC[C@@H](C)OC(=O)/C=C(/C)C(C)(C)C	744059814	629897199	/nfs/dbraw/zinc/89/71/99/629897199.db2.gz	GPIPJBOEYZFJKU-HSTULFTRSA-N	0	0	198.306	3.321	10	0		AGAERN
CC[C@H](C)OC(=O)/C=C(/C)C(C)(C)C	744059815	629897800	/nfs/dbraw/zinc/89/78/00/629897800.db2.gz	GPIPJBOEYZFJKU-QROTZFDESA-N	0	0	198.306	3.321	10	0		AGAERN
CC[C@@H](C)OC(=O)/C=C(\C)C(C)(C)C	744059812	629897899	/nfs/dbraw/zinc/89/78/99/629897899.db2.gz	GPIPJBOEYZFJKU-AAXQSMANSA-N	0	0	198.306	3.321	10	0		AGAERN
CC[C@H](C)c1noc([C@H](C)CC)n1	393725713	629946482	/nfs/dbraw/zinc/94/64/82/629946482.db2.gz	PAFVRCCEBOSESR-JGVFFNPUSA-N	0	0	182.267	3.097	10	0		AGAERN
CC[C@H](C)c1nc([C@H](C)CC)no1	393725714	629947332	/nfs/dbraw/zinc/94/73/32/629947332.db2.gz	PAFVRCCEBOSESR-SFYZADRCSA-N	0	0	182.267	3.097	10	0		AGAERN
C[C@@H](CC1CCC1)Nc1nccs1	229698708	629948263	/nfs/dbraw/zinc/94/82/63/629948263.db2.gz	AFNUNEYAGCYDPI-QMMMGPOBSA-N	0	0	196.319	3.134	10	0		AGAERN
CC[C@H](C)c1noc([C@@H](C)CC)n1	393725715	629948477	/nfs/dbraw/zinc/94/84/77/629948477.db2.gz	PAFVRCCEBOSESR-YUMQZZPRSA-N	0	0	182.267	3.097	10	0		AGAERN
C[C@H](CC1CCC1)Nc1nccs1	229698713	629948520	/nfs/dbraw/zinc/94/85/20/629948520.db2.gz	AFNUNEYAGCYDPI-MRVPVSSYSA-N	0	0	196.319	3.134	10	0		AGAERN
CC[C@@H](C)c1noc([C@H](C)CC)n1	393725712	629949218	/nfs/dbraw/zinc/94/92/18/629949218.db2.gz	PAFVRCCEBOSESR-HTQZYQBOSA-N	0	0	182.267	3.097	10	0		AGAERN
CCC(CC)C(=O)O[C@@H](C)C(C)C	148802254	629956164	/nfs/dbraw/zinc/95/61/64/629956164.db2.gz	YGIUZEHMEAAJDF-VIFPVBQESA-N	0	0	186.295	3.010	10	0		AGAERN
Cc1cccc2c(Cl)nsc12	146727328	629959205	/nfs/dbraw/zinc/95/92/05/629959205.db2.gz	GSCYCIBNVXCGCK-UHFFFAOYSA-N	0	0	183.663	3.258	10	0		AGAERN
O=C(CCCC1CCCC1)OC1CC1	783183608	629961482	/nfs/dbraw/zinc/96/14/82/629961482.db2.gz	SRJNMRYDXGOJHK-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
CCN(C)c1ccc(C(C)C)cc1	169155972	629977613	/nfs/dbraw/zinc/97/76/13/629977613.db2.gz	FVVBNXKUEZURMS-UHFFFAOYSA-N	0	0	177.291	3.266	10	0		AGAERN
CO[C@@H](C)CSC(C)(C)C(C)C	308171295	629991785	/nfs/dbraw/zinc/99/17/85/629991785.db2.gz	WUXBBUHKNQNGOA-VIFPVBQESA-N	0	0	190.352	3.189	10	0		AGAERN
CCCCSCc1ccc(F)cn1	308167514	629992034	/nfs/dbraw/zinc/99/20/34/629992034.db2.gz	AGZIKFJBDDBEHR-UHFFFAOYSA-N	0	0	199.294	3.254	10	0		AGAERN
CCC[C@H](C)C(=O)OCC(C)(C)C	308217398	630003285	/nfs/dbraw/zinc/00/32/85/630003285.db2.gz	JVNRUCGLLWMTOW-VIFPVBQESA-N	0	0	186.295	3.012	10	0		AGAERN
C/C=C(\CC)C(=O)OCCCCC	308451015	630013440	/nfs/dbraw/zinc/01/34/40/630013440.db2.gz	DKHAXAJFOMYJRX-BJMVGYQFSA-N	0	0	184.279	3.076	10	0		AGAERN
C/C=C(/C)C(=O)O[C@H](CC)CCC	199447552	630043494	/nfs/dbraw/zinc/04/34/94/630043494.db2.gz	PGRIJRPYKDZIPV-ABRRARGCSA-N	0	0	184.279	3.075	10	0		AGAERN
CC[C@H](C)SC1=N[C@@H](C)CS1	306235891	630089844	/nfs/dbraw/zinc/08/98/44/630089844.db2.gz	DVXIQFMMEGZFRG-BQBZGAKWSA-N	0	0	189.349	3.009	10	0		AGAERN
C[Si](C)(C)CSc1ccncc1	306316009	630094604	/nfs/dbraw/zinc/09/46/04/630094604.db2.gz	GSCIEWHAIIDSQJ-UHFFFAOYSA-N	0	0	197.379	3.051	10	0		AGAERN
C/C=C/CSCCSCC	306368494	630098861	/nfs/dbraw/zinc/09/88/61/630098861.db2.gz	HUOGPYSFQHWAKO-HWKANZROSA-N	0	0	176.350	3.049	10	0		AGAERN
C/C(=C\Cl)CSC(C)C	306368791	630103497	/nfs/dbraw/zinc/10/34/97/630103497.db2.gz	FFWRKXAPQOGEJZ-QPJJXVBHSA-N	0	0	164.701	3.271	10	0		AGAERN
CSCCSC/C(C)=C/Cl	306446755	630110610	/nfs/dbraw/zinc/11/06/10/630110610.db2.gz	VFVXLKWIMLRYFA-FNORWQNLSA-N	0	0	196.768	3.225	10	0		AGAERN
C[C@@H]1C[C@H]1c1csc(C2CC2)n1	306465514	630111600	/nfs/dbraw/zinc/11/16/00/630111600.db2.gz	DXEZPAUEDSQKAW-HTRCEHHLSA-N	0	0	179.288	3.144	10	0		AGAERN
CC(C)=CCSC/C=C/Cl	306472711	630114340	/nfs/dbraw/zinc/11/43/40/630114340.db2.gz	FTXONGGZNMJQDA-HWKANZROSA-N	0	0	176.712	3.438	10	0		AGAERN
CC[C@H](C)CSCCSC	306475217	630114796	/nfs/dbraw/zinc/11/47/96/630114796.db2.gz	XEDJGHDNOBKCKD-QMMMGPOBSA-N	0	0	178.366	3.129	10	0		AGAERN
CC[C@@H](C)CSCCSC	306475216	630115645	/nfs/dbraw/zinc/11/56/45/630115645.db2.gz	XEDJGHDNOBKCKD-MRVPVSSYSA-N	0	0	178.366	3.129	10	0		AGAERN
CSCCS[C@@H](C)C(C)C	306867902	630134324	/nfs/dbraw/zinc/13/43/24/630134324.db2.gz	QBFCAJYGRGHAJZ-QMMMGPOBSA-N	0	0	178.366	3.127	10	0		AGAERN
CSCCS[C@H](C)C(C)C	306867900	630134779	/nfs/dbraw/zinc/13/47/79/630134779.db2.gz	QBFCAJYGRGHAJZ-MRVPVSSYSA-N	0	0	178.366	3.127	10	0		AGAERN
CC(C)C(C)(C)SCCF	306924122	630138619	/nfs/dbraw/zinc/13/86/19/630138619.db2.gz	IHHRMMVZOXNJEC-UHFFFAOYSA-N	0	0	164.289	3.124	10	0		AGAERN
CCCCNc1nc(C)ccc1Cl	306959268	630138626	/nfs/dbraw/zinc/13/86/26/630138626.db2.gz	XHZKSHRZRFQGIJ-UHFFFAOYSA-N	0	0	198.697	3.255	10	0		AGAERN
Cc1cocc1-c1ccccc1C=O	307080803	630145495	/nfs/dbraw/zinc/14/54/95/630145495.db2.gz	OPYBABZPWKPAHV-UHFFFAOYSA-N	0	0	186.210	3.068	10	0		AGAERN
CCC(CC)SCSC	307108174	630146773	/nfs/dbraw/zinc/14/67/73/630146773.db2.gz	BDHMRHPQMSDAGJ-UHFFFAOYSA-N	0	0	164.339	3.229	10	0		AGAERN
C/C(=C\Cl)CSCC1CC1	307283428	630156359	/nfs/dbraw/zinc/15/63/59/630156359.db2.gz	IFJGKDRUMNPKIF-QPJJXVBHSA-N	0	0	176.712	3.272	10	0		AGAERN
Cc1cc(-c2ccsc2C)ccn1	307300621	630161076	/nfs/dbraw/zinc/16/10/76/630161076.db2.gz	SKMTUSZTBHEKIG-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
CC(C)c1nc([C@@H]2C[C@H]2C)cs1	307409312	630163142	/nfs/dbraw/zinc/16/31/42/630163142.db2.gz	PRGQQAGUDINXKV-HTQZYQBOSA-N	0	0	181.304	3.390	10	0		AGAERN
CC(C)c1nc([C@@H]2C[C@@H]2C)cs1	307409313	630165315	/nfs/dbraw/zinc/16/53/15/630165315.db2.gz	PRGQQAGUDINXKV-JGVFFNPUSA-N	0	0	181.304	3.390	10	0		AGAERN
CSCCSCC(C)(C)C	307452238	630169477	/nfs/dbraw/zinc/16/94/77/630169477.db2.gz	SSNATGWLWVBISL-UHFFFAOYSA-N	0	0	178.366	3.129	10	0		AGAERN
CCSCSc1ccoc1C	307702268	630183800	/nfs/dbraw/zinc/18/38/00/630183800.db2.gz	OWFYPVMGAYQGCA-UHFFFAOYSA-N	0	0	188.317	3.391	10	0		AGAERN
CC(C)CSC/C=C/Cl	307715433	630185478	/nfs/dbraw/zinc/18/54/78/630185478.db2.gz	GATCPJZREZQTPE-ONEGZZNKSA-N	0	0	164.701	3.128	10	0		AGAERN
CSCCSc1ccoc1C	307761430	630192722	/nfs/dbraw/zinc/19/27/22/630192722.db2.gz	ZLWUVTFJLLOKOV-UHFFFAOYSA-N	0	0	188.317	3.043	10	0		AGAERN
CCC[C@H](C)OC(=O)C[C@H]1C=CCC1	147704168	630220192	/nfs/dbraw/zinc/22/01/92/630220192.db2.gz	WDMXSJJBSUCDLO-QWRGUYRKSA-N	0	0	196.290	3.075	10	0		AGAERN
CCC[C@@H](C)OC(=O)C[C@H]1C=CCC1	147703965	630220221	/nfs/dbraw/zinc/22/02/21/630220221.db2.gz	WDMXSJJBSUCDLO-MNOVXSKESA-N	0	0	196.290	3.075	10	0		AGAERN
Cc1cccc2c1C(=O)CC[C@@H]2C	149900606	630223245	/nfs/dbraw/zinc/22/32/45/630223245.db2.gz	ALCCDSFRTLMBAP-QMMMGPOBSA-N	0	0	174.243	3.075	10	0		AGAERN
CSCSCc1ccccc1	196637855	630359983	/nfs/dbraw/zinc/35/99/83/630359983.db2.gz	HNYHNWVKOMSBBK-UHFFFAOYSA-N	0	0	184.329	3.240	10	0		AGAERN
CC/C=C(\C)C(=O)O[C@H](C)CC(C)C	729893207	630385985	/nfs/dbraw/zinc/38/59/85/630385985.db2.gz	CGWPFLKDVYAOII-PFEDMVJOSA-N	0	0	198.306	3.321	10	0		AGAERN
CC/C=C(/C)C(=O)OCCCC(C)C	729890884	630386507	/nfs/dbraw/zinc/38/65/07/630386507.db2.gz	GXDRELVHQPJRLG-XFFZJAGNSA-N	0	0	198.306	3.322	10	0		AGAERN
CC/C=C(\C)C(=O)O[C@@H](C)CC(C)C	729893206	630387560	/nfs/dbraw/zinc/38/75/60/630387560.db2.gz	CGWPFLKDVYAOII-HUYFXPKMSA-N	0	0	198.306	3.321	10	0		AGAERN
CC/C=C(/C)C(=O)O[C@@H](C)CC(C)C	729893205	630387877	/nfs/dbraw/zinc/38/78/77/630387877.db2.gz	CGWPFLKDVYAOII-BRNRAETOSA-N	0	0	198.306	3.321	10	0		AGAERN
CC/C=C(/C)C(=O)O[C@H](C)CC(C)C	729893208	630388013	/nfs/dbraw/zinc/38/80/13/630388013.db2.gz	CGWPFLKDVYAOII-ZJRUKIMVSA-N	0	0	198.306	3.321	10	0		AGAERN
CC/C=C(\C)C(=O)OCCCC(C)C	729890885	630388091	/nfs/dbraw/zinc/38/80/91/630388091.db2.gz	GXDRELVHQPJRLG-YRNVUSSQSA-N	0	0	198.306	3.322	10	0		AGAERN
CCCCOC(=O)CCC1CCCC1	106146491	630397085	/nfs/dbraw/zinc/39/70/85/630397085.db2.gz	GCDMXXTYPRBZJH-UHFFFAOYSA-N	0	0	198.306	3.300	10	0		AGAERN
CCC(C)(C)c1cc(C2CC2)no1	901393126	630747244	/nfs/dbraw/zinc/74/72/44/630747244.db2.gz	BBTBOJRDRHECLH-UHFFFAOYSA-N	0	0	179.263	3.240	10	0		AGAERN
CC(C)/C=C\c1cc(C2CC2)no1	901393831	630747076	/nfs/dbraw/zinc/74/70/76/630747076.db2.gz	CHNSMJYOXDHMIT-UTCJRWHESA-N	0	0	177.247	3.221	10	0		AGAERN
CC(C)/C=C/c1cc(C2CC2)no1	901393832	630747272	/nfs/dbraw/zinc/74/72/72/630747272.db2.gz	CHNSMJYOXDHMIT-ZZXKWVIFSA-N	0	0	177.247	3.221	10	0		AGAERN
CCO[C@@H](C)SCC(C)(C)C	901545334	630748754	/nfs/dbraw/zinc/74/87/54/630748754.db2.gz	BDFMBVFMQDVFMI-MRVPVSSYSA-N	0	0	176.325	3.148	10	0		AGAERN
CCCCOC(=O)CC(CC)CC	168076358	630763258	/nfs/dbraw/zinc/76/32/58/630763258.db2.gz	DCECJSMRITVODS-UHFFFAOYSA-N	0	0	186.295	3.156	10	0		AGAERN
CCCOC(=O)[C@@H]1CCCCC1(C)C	226623287	630768597	/nfs/dbraw/zinc/76/85/97/630768597.db2.gz	KFVPJEDVWCHGQT-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
CCCC(=O)O[C@H]1CCCC[C@@H]1CC	32218938	630775289	/nfs/dbraw/zinc/77/52/89/630775289.db2.gz	QSEOHLKXEWZDIV-QWRGUYRKSA-N	0	0	198.306	3.299	10	0		AGAERN
CCC[C@@H](C)COC(=O)CC(C)C	32230151	630775433	/nfs/dbraw/zinc/77/54/33/630775433.db2.gz	OAKWRTAMLPJXRH-SNVBAGLBSA-N	0	0	186.295	3.012	10	0		AGAERN
CCC[C@H](C)COC(=O)CC(C)C	32230153	630775691	/nfs/dbraw/zinc/77/56/91/630775691.db2.gz	OAKWRTAMLPJXRH-JTQLQIEISA-N	0	0	186.295	3.012	10	0		AGAERN
CCCC(=O)O[C@@H]1CCCC[C@@H]1CC	32218937	630775918	/nfs/dbraw/zinc/77/59/18/630775918.db2.gz	QSEOHLKXEWZDIV-WDEREUQCSA-N	0	0	198.306	3.299	10	0		AGAERN
Cc1ncc(CSC2CCCC2)o1	915653565	630779190	/nfs/dbraw/zinc/77/91/90/630779190.db2.gz	ZNGODFSTRKKIRT-UHFFFAOYSA-N	0	0	197.303	3.159	10	0		AGAERN
Cc1nc(S[C@@H](C)C2CC2)oc1C	916552084	630785030	/nfs/dbraw/zinc/78/50/30/630785030.db2.gz	ZHNFGLHVUXIIGY-QMMMGPOBSA-N	0	0	197.303	3.182	10	0		AGAERN
C[C@@H](Sc1ccc(O)cc1)C1CC1	916727432	630785424	/nfs/dbraw/zinc/78/54/24/630785424.db2.gz	WMFBPQHJVZQSTH-MRVPVSSYSA-N	0	0	194.299	3.283	10	0		AGAERN
Cc1nc(S[C@H](C)C2CC2)oc1C	916552083	630785451	/nfs/dbraw/zinc/78/54/51/630785451.db2.gz	ZHNFGLHVUXIIGY-MRVPVSSYSA-N	0	0	197.303	3.182	10	0		AGAERN
CSCC(C)(C)CC(F)F	916727092	630785894	/nfs/dbraw/zinc/78/58/94/630785894.db2.gz	LHIDRCHYQUUGCP-UHFFFAOYSA-N	0	0	168.252	3.031	10	0		AGAERN
C[C@H](Sc1ccc(O)cc1)C1CC1	916727433	630786031	/nfs/dbraw/zinc/78/60/31/630786031.db2.gz	WMFBPQHJVZQSTH-QMMMGPOBSA-N	0	0	194.299	3.283	10	0		AGAERN
CC/C=C(/C)C(=O)NC(C)(CC)CC	733110471	630786169	/nfs/dbraw/zinc/78/61/69/630786169.db2.gz	BQWOOTULMVVUMS-KTKRTIGZSA-N	0	0	197.322	3.038	10	0		AGAERN
CC/C=C(\C)C(=O)NC(C)(CC)CC	733110475	630786908	/nfs/dbraw/zinc/78/69/08/630786908.db2.gz	BQWOOTULMVVUMS-MDZDMXLPSA-N	0	0	197.322	3.038	10	0		AGAERN
Cc1ncc(CS[C@@H](C)C(C)C)o1	917116008	630789343	/nfs/dbraw/zinc/78/93/43/630789343.db2.gz	IJPNPHLMEHQVGB-QMMMGPOBSA-N	0	0	199.319	3.261	10	0		AGAERN
Cc1ncc(CS[C@H](C)C(C)C)o1	917116007	630790500	/nfs/dbraw/zinc/79/05/00/630790500.db2.gz	IJPNPHLMEHQVGB-MRVPVSSYSA-N	0	0	199.319	3.261	10	0		AGAERN
CC(=O)[C@@H](C)SC1CC2(CCC2)C1	917163304	630792758	/nfs/dbraw/zinc/79/27/58/630792758.db2.gz	PIOYYUBFUAARPZ-SECBINFHSA-N	0	0	198.331	3.030	10	0		AGAERN
CC[C@@H](C)CSCc1cnc(C)o1	917200526	630792816	/nfs/dbraw/zinc/79/28/16/630792816.db2.gz	OCAARZJLXCRRBP-MRVPVSSYSA-N	0	0	199.319	3.262	10	0		AGAERN
CC[C@H](C)CSCc1cnc(C)o1	917200527	630795114	/nfs/dbraw/zinc/79/51/14/630795114.db2.gz	OCAARZJLXCRRBP-QMMMGPOBSA-N	0	0	199.319	3.262	10	0		AGAERN
CC(=O)[C@H](C)SC1CC2(CCC2)C1	917163305	630795143	/nfs/dbraw/zinc/79/51/43/630795143.db2.gz	PIOYYUBFUAARPZ-VIFPVBQESA-N	0	0	198.331	3.030	10	0		AGAERN
CCSCCS[C@@H](C)C1CC1	917468545	630795856	/nfs/dbraw/zinc/79/58/56/630795856.db2.gz	NWXSWOADWXBWIA-QMMMGPOBSA-N	0	0	190.377	3.271	10	0		AGAERN
CC(C)=CCSCc1cnc(C)o1	917577338	630795866	/nfs/dbraw/zinc/79/58/66/630795866.db2.gz	KKZFTGVTBWRMJI-UHFFFAOYSA-N	0	0	197.303	3.182	10	0		AGAERN
Cc1ncc(CSCC(C)(C)C)o1	917670589	630796087	/nfs/dbraw/zinc/79/60/87/630796087.db2.gz	QSANUNSCCVCZSI-UHFFFAOYSA-N	0	0	199.319	3.262	10	0		AGAERN
C[C@@H](Sc1cccc(O)c1)C1CC1	917467228	630796380	/nfs/dbraw/zinc/79/63/80/630796380.db2.gz	BGKHIOPFQKHTLZ-MRVPVSSYSA-N	0	0	194.299	3.283	10	0		AGAERN
c1coc(SC2CC3(CCC3)C2)n1	917577502	630796735	/nfs/dbraw/zinc/79/67/35/630796735.db2.gz	LYCMSKQXJOSWJD-UHFFFAOYSA-N	0	0	195.287	3.099	10	0		AGAERN
CCSCCS[C@H](C)C1CC1	917468543	630797066	/nfs/dbraw/zinc/79/70/66/630797066.db2.gz	NWXSWOADWXBWIA-MRVPVSSYSA-N	0	0	190.377	3.271	10	0		AGAERN
C[C@H](SCCC(F)(F)F)C1CC1	917617231	630797152	/nfs/dbraw/zinc/79/71/52/630797152.db2.gz	SPFXXGQYXUKFKZ-LURJTMIESA-N	0	0	198.253	3.471	10	0		AGAERN
C[C@@H](SCCC(F)(F)F)C1CC1	917617232	630797899	/nfs/dbraw/zinc/79/78/99/630797899.db2.gz	SPFXXGQYXUKFKZ-ZCFIWIBFSA-N	0	0	198.253	3.471	10	0		AGAERN
C[C@H](Sc1cccc(O)c1)C1CC1	917467229	630798294	/nfs/dbraw/zinc/79/82/94/630798294.db2.gz	BGKHIOPFQKHTLZ-QMMMGPOBSA-N	0	0	194.299	3.283	10	0		AGAERN
Cc1cnccc1S[C@H](C)C1CC1	917778360	630798704	/nfs/dbraw/zinc/79/87/04/630798704.db2.gz	QLTDHRNMLKGXIF-SECBINFHSA-N	0	0	193.315	3.281	10	0		AGAERN
C[C@@H](Sc1ncccc1F)C1CC1	917810424	630799163	/nfs/dbraw/zinc/79/91/63/630799163.db2.gz	UIXGNOMIMZLJRL-SSDOTTSWSA-N	0	0	197.278	3.111	10	0		AGAERN
C[C@H](Sc1ncccc1F)C1CC1	917810425	630799950	/nfs/dbraw/zinc/79/99/50/630799950.db2.gz	UIXGNOMIMZLJRL-ZETCQYMHSA-N	0	0	197.278	3.111	10	0		AGAERN
C1CC(SC2CCSCC2)C1	917783303	630800182	/nfs/dbraw/zinc/80/01/82/630800182.db2.gz	BOJNSKHWBOITSP-UHFFFAOYSA-N	0	0	188.361	3.168	10	0		AGAERN
Cc1cnccc1S[C@@H](C)C1CC1	917778361	630800227	/nfs/dbraw/zinc/80/02/27/630800227.db2.gz	QLTDHRNMLKGXIF-VIFPVBQESA-N	0	0	193.315	3.281	10	0		AGAERN
CSCCCS[C@@H](C)C1CC1	917836046	630800337	/nfs/dbraw/zinc/80/03/37/630800337.db2.gz	ATWYDVURTJAFTJ-QMMMGPOBSA-N	0	0	190.377	3.271	10	0		AGAERN
CSCCCS[C@H](C)C1CC1	917836045	630800959	/nfs/dbraw/zinc/80/09/59/630800959.db2.gz	ATWYDVURTJAFTJ-MRVPVSSYSA-N	0	0	190.377	3.271	10	0		AGAERN
C[C@H](SCc1ccccn1)C1CC1	918159997	630801872	/nfs/dbraw/zinc/80/18/72/630801872.db2.gz	VVQWTTUXBNKQHS-VIFPVBQESA-N	0	0	193.315	3.113	10	0		AGAERN
C[C@@H](SCc1ccccn1)C1CC1	918159995	630803818	/nfs/dbraw/zinc/80/38/18/630803818.db2.gz	VVQWTTUXBNKQHS-SECBINFHSA-N	0	0	193.315	3.113	10	0		AGAERN
CCCC(=O)O[C@H]1CCCC[C@H]1CC	32218940	630804959	/nfs/dbraw/zinc/80/49/59/630804959.db2.gz	QSEOHLKXEWZDIV-MNOVXSKESA-N	0	0	198.306	3.299	10	0		AGAERN
CC(C)(C)COC(=O)C1CCCCC1	32227895	630805545	/nfs/dbraw/zinc/80/55/45/630805545.db2.gz	OYXFBRQIJFYDEE-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCCC(=O)O[C@@H]1CCCC[C@H]1CC	32218939	630805824	/nfs/dbraw/zinc/80/58/24/630805824.db2.gz	QSEOHLKXEWZDIV-GHMZBOCLSA-N	0	0	198.306	3.299	10	0		AGAERN
CCCCCOC(=O)C[C@H]1C=CCC1	918999525	630806338	/nfs/dbraw/zinc/80/63/38/630806338.db2.gz	AEXPXPSWVGLWNN-NSHDSACASA-N	0	0	196.290	3.076	10	0		AGAERN
CCCCCOC(=O)C[C@@H]1C=CCC1	918999519	630806616	/nfs/dbraw/zinc/80/66/16/630806616.db2.gz	AEXPXPSWVGLWNN-LLVKDONJSA-N	0	0	196.290	3.076	10	0		AGAERN
Cc1ccnc(SCCCCF)c1	918806695	630806654	/nfs/dbraw/zinc/80/66/54/630806654.db2.gz	CTVYPRIZEBXIOA-UHFFFAOYSA-N	0	0	199.294	3.232	10	0		AGAERN
Cc1ccnc(SC2CCC2)c1	918799575	630806749	/nfs/dbraw/zinc/80/67/49/630806749.db2.gz	BPTSARULEKKSBS-UHFFFAOYSA-N	0	0	179.288	3.035	10	0		AGAERN
CCC[C@@H](C)COC(=O)[C@H](C)CC	33607291	630807033	/nfs/dbraw/zinc/80/70/33/630807033.db2.gz	RVVHHUUVQYONCR-NXEZZACHSA-N	0	0	186.295	3.012	10	0		AGAERN
CCCCCOC(=O)CC1CCCC1	918856060	630807242	/nfs/dbraw/zinc/80/72/42/630807242.db2.gz	HPPJTYALWPFAPM-UHFFFAOYSA-N	0	0	198.306	3.300	10	0		AGAERN
C/C=C/COC(=O)[C@H](CC)CCCC	919222729	630808958	/nfs/dbraw/zinc/80/89/58/630808958.db2.gz	AAEKQZVAHSOGMU-AYLMVEPYSA-N	0	0	198.306	3.322	10	0		AGAERN
C/C=C/COC(=O)[C@@H](CC)CCCC	919222730	630809117	/nfs/dbraw/zinc/80/91/17/630809117.db2.gz	AAEKQZVAHSOGMU-BWNDKRECSA-N	0	0	198.306	3.322	10	0		AGAERN
C/C=C\COC(=O)[C@@H](CC)CCCC	919222731	630810047	/nfs/dbraw/zinc/81/00/47/630810047.db2.gz	AAEKQZVAHSOGMU-OFSNVTPPSA-N	0	0	198.306	3.322	10	0		AGAERN
C/C=C\COC(=O)[C@H](CC)CCCC	919222732	630810570	/nfs/dbraw/zinc/81/05/70/630810570.db2.gz	AAEKQZVAHSOGMU-UIJKISKDSA-N	0	0	198.306	3.322	10	0		AGAERN
CCCSC/C(C)=C\Cl	33838314	630811543	/nfs/dbraw/zinc/81/15/43/630811543.db2.gz	CGAZHYSZJPSFJW-ALCCZGGFSA-N	0	0	164.701	3.272	10	0		AGAERN
CC/C=C/COC(=O)CCCCCC	33839591	630812383	/nfs/dbraw/zinc/81/23/83/630812383.db2.gz	YOYYNSFGYONYRZ-RMKNXTFCSA-N	0	0	198.306	3.466	10	0		AGAERN
CCCCCNC(=O)/C=C(/C)CCC	920212783	630814389	/nfs/dbraw/zinc/81/43/89/630814389.db2.gz	DLTMZUQKPBISDK-KHPPLWFESA-N	0	0	197.322	3.039	10	0		AGAERN
CCC/C(C)=C/C(=O)OC1CCCC1	920212814	630816004	/nfs/dbraw/zinc/81/60/04/630816004.db2.gz	FOJXQKDUGWODKK-MDZDMXLPSA-N	0	0	196.290	3.219	10	0		AGAERN
CCCCCNC(=O)/C=C(\C)CCC	920212788	630816288	/nfs/dbraw/zinc/81/62/88/630816288.db2.gz	DLTMZUQKPBISDK-ZHACJKMWSA-N	0	0	197.322	3.039	10	0		AGAERN
CCC/C(C)=C\C(=O)OC1CCCC1	920212810	630816607	/nfs/dbraw/zinc/81/66/07/630816607.db2.gz	FOJXQKDUGWODKK-KTKRTIGZSA-N	0	0	196.290	3.219	10	0		AGAERN
CCCCCOC(=O)C[C@@H](C)C1CC1	920726424	630817572	/nfs/dbraw/zinc/81/75/72/630817572.db2.gz	GXDDQHHGFLHOFO-SNVBAGLBSA-N	0	0	198.306	3.156	10	0		AGAERN
CCCCCOC(=O)C[C@H](C)C1CC1	920726423	630817836	/nfs/dbraw/zinc/81/78/36/630817836.db2.gz	GXDDQHHGFLHOFO-JTQLQIEISA-N	0	0	198.306	3.156	10	0		AGAERN
CCCCOC(=O)C=C1CCCCC1	920629166	630818068	/nfs/dbraw/zinc/81/80/68/630818068.db2.gz	FVFLPYFOLFVEEK-UHFFFAOYSA-N	0	0	196.290	3.220	10	0		AGAERN
CCCCCOC(=O)/C=C(/C)CCC	920691865	630818580	/nfs/dbraw/zinc/81/85/80/630818580.db2.gz	HBPXXJOHRBBKHD-KHPPLWFESA-N	0	0	198.306	3.466	10	0		AGAERN
CCCCCOC(=O)/C=C(\C)CCC	920691867	630818711	/nfs/dbraw/zinc/81/87/11/630818711.db2.gz	HBPXXJOHRBBKHD-ZHACJKMWSA-N	0	0	198.306	3.466	10	0		AGAERN
CCCCCCC(=O)N(CC)CCC	221978121	630831673	/nfs/dbraw/zinc/83/16/73/630831673.db2.gz	AWWXWMFBUXIJLF-UHFFFAOYSA-N	0	0	199.338	3.215	10	0		AGAERN
CCc1cccc(CSC)c1	199952539	630837132	/nfs/dbraw/zinc/83/71/32/630837132.db2.gz	BZAGTJVOCIYEJR-UHFFFAOYSA-N	0	0	166.289	3.112	10	0		AGAERN
CCCC(=O)O[C@@H](C)C1CCCCC1	82048372	630838948	/nfs/dbraw/zinc/83/89/48/630838948.db2.gz	FTMSYMOBBRINAR-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
CC(C)C(=O)OCC1(C)CCCCC1	165897249	630844325	/nfs/dbraw/zinc/84/43/25/630844325.db2.gz	QRRAULLGMGBQLF-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC[C@@H](C)CNc1ccc(C)cn1	83341865	630844420	/nfs/dbraw/zinc/84/44/20/630844420.db2.gz	MKJAAYQWRXCSCR-SNVBAGLBSA-N	0	0	192.306	3.238	10	0		AGAERN
CCC[C@H](C)CNc1ccc(C)cn1	83341866	630845377	/nfs/dbraw/zinc/84/53/77/630845377.db2.gz	MKJAAYQWRXCSCR-JTQLQIEISA-N	0	0	192.306	3.238	10	0		AGAERN
CCCCOC(=O)C[C@H]1CCC[C@H]1C	769174098	630848160	/nfs/dbraw/zinc/84/81/60/630848160.db2.gz	DOTXINOZZQUHFJ-GHMZBOCLSA-N	0	0	198.306	3.156	10	0		AGAERN
CCCCOC(=O)C[C@@H]1CCC[C@@H]1C	769174105	630848499	/nfs/dbraw/zinc/84/84/99/630848499.db2.gz	DOTXINOZZQUHFJ-QWRGUYRKSA-N	0	0	198.306	3.156	10	0		AGAERN
CCCCOC(=O)C[C@@H]1CCC[C@H]1C	769174102	630849014	/nfs/dbraw/zinc/84/90/14/630849014.db2.gz	DOTXINOZZQUHFJ-MNOVXSKESA-N	0	0	198.306	3.156	10	0		AGAERN
CCCCOC(=O)C[C@H]1CCC[C@@H]1C	769174109	630849759	/nfs/dbraw/zinc/84/97/59/630849759.db2.gz	DOTXINOZZQUHFJ-WDEREUQCSA-N	0	0	198.306	3.156	10	0		AGAERN
CC/C=C/CCOC(=O)[C@@H](C)CCC	59454601	630853314	/nfs/dbraw/zinc/85/33/14/630853314.db2.gz	FCVRQOBREFBNQX-MLRMMBSGSA-N	0	0	198.306	3.322	10	0		AGAERN
CC/C=C/CCOC(=O)[C@H](C)CCC	59454600	630855306	/nfs/dbraw/zinc/85/53/06/630855306.db2.gz	FCVRQOBREFBNQX-XUIVZRPNSA-N	0	0	198.306	3.322	10	0		AGAERN
CCCN(CC)c1ccc(C)cc1	196133645	630855335	/nfs/dbraw/zinc/85/53/35/630855335.db2.gz	MXFVPTNUHXYAOI-UHFFFAOYSA-N	0	0	177.291	3.231	10	0		AGAERN
CCN(c1ccc(C)cc1)C(C)C	196133662	630855895	/nfs/dbraw/zinc/85/58/95/630855895.db2.gz	CYGFONSXJDNFML-UHFFFAOYSA-N	0	0	177.291	3.230	10	0		AGAERN
CCC(=O)OC1CCCCCCC1	34128021	630855970	/nfs/dbraw/zinc/85/59/70/630855970.db2.gz	KBGFSTYSWBKJKU-UHFFFAOYSA-N	0	0	184.279	3.053	10	0		AGAERN
CCC[C@H](CC)OC(=O)C(C)(C)C	197889727	630861001	/nfs/dbraw/zinc/86/10/01/630861001.db2.gz	BGRDVKLKBYOJBB-VIFPVBQESA-N	0	0	186.295	3.154	10	0		AGAERN
CC/C=C(/C)C=C(C)C	60286082	630862295	/nfs/dbraw/zinc/86/22/95/630862295.db2.gz	FFLHUMMPCUSQSJ-TWGQIWQCSA-N	0	0	124.227	3.309	10	0		AGAERN
C1=C(CCNc2nccs2)CCC1	228777419	630865076	/nfs/dbraw/zinc/86/50/76/630865076.db2.gz	YPEHFOGGJSLYKS-UHFFFAOYSA-N	0	0	194.303	3.055	10	0		AGAERN
CCC[C@H](CC)OC(=O)[C@@H](C)CC	230829654	630883759	/nfs/dbraw/zinc/88/37/59/630883759.db2.gz	YPLSJOYRKDOZKG-UWVGGRQHSA-N	0	0	186.295	3.154	10	0		AGAERN
CCCC[C@H](C)OC(=O)[C@H](C)CC	230829842	630882897	/nfs/dbraw/zinc/88/28/97/630882897.db2.gz	AVRFJOPVIZNPIX-ZJUUUORDSA-N	0	0	186.295	3.154	10	0		AGAERN
CCCC[C@@H](C)OC(=O)[C@H](C)CC	230829813	630883237	/nfs/dbraw/zinc/88/32/37/630883237.db2.gz	AVRFJOPVIZNPIX-NXEZZACHSA-N	0	0	186.295	3.154	10	0		AGAERN
CCC[C@@H](CC)OC(=O)[C@H](C)CC	230829688	630883866	/nfs/dbraw/zinc/88/38/66/630883866.db2.gz	YPLSJOYRKDOZKG-NXEZZACHSA-N	0	0	186.295	3.154	10	0		AGAERN
CCCC[C@@H](C)OC(=O)[C@@H](C)CC	230829758	630884726	/nfs/dbraw/zinc/88/47/26/630884726.db2.gz	AVRFJOPVIZNPIX-VHSXEESVSA-N	0	0	186.295	3.154	10	0		AGAERN
CCC[C@H](CC)OC(=O)[C@H](C)CC	230829722	630885357	/nfs/dbraw/zinc/88/53/57/630885357.db2.gz	YPLSJOYRKDOZKG-ZJUUUORDSA-N	0	0	186.295	3.154	10	0		AGAERN
CCC[C@@H](CC)OC(=O)[C@@H](C)CC	230829625	630885391	/nfs/dbraw/zinc/88/53/91/630885391.db2.gz	YPLSJOYRKDOZKG-VHSXEESVSA-N	0	0	186.295	3.154	10	0		AGAERN
CC[C@@H](C)OC(=O)[C@@H](C)CC(C)C	165487825	630903106	/nfs/dbraw/zinc/90/31/06/630903106.db2.gz	ZSVGVQYCSFXBGO-VHSXEESVSA-N	0	0	186.295	3.010	10	0		AGAERN
CCC[C@@H](CC)OC(=O)C(C)(C)C	197889721	630904205	/nfs/dbraw/zinc/90/42/05/630904205.db2.gz	BGRDVKLKBYOJBB-SECBINFHSA-N	0	0	186.295	3.154	10	0		AGAERN
CC(C)(C)CCCOC(=O)CC1CC1	781157669	630917111	/nfs/dbraw/zinc/91/71/11/630917111.db2.gz	GEPOGVJIBBSOKA-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CCC(CC)C(=O)OC[C@H](C)C1CC1	789606210	630918738	/nfs/dbraw/zinc/91/87/38/630918738.db2.gz	GRSFZAFXCNJIBQ-VIFPVBQESA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)CCC(=O)OC[C@@H](C)C1CC1	789615826	630918769	/nfs/dbraw/zinc/91/87/69/630918769.db2.gz	UHZPGXXSWCYVIR-SNVBAGLBSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC[C@@H](C)C(=O)OC[C@@H](C)C1CC1	789608840	630919037	/nfs/dbraw/zinc/91/90/37/630919037.db2.gz	STDBIUUTLQGKCX-NXEZZACHSA-N	0	0	198.306	3.012	10	0		AGAERN
C/C=C(\CC)C(=O)NC(C)(CC)CC	789645556	630919178	/nfs/dbraw/zinc/91/91/78/630919178.db2.gz	CODVXVXOBWIGHS-UXBLZVDNSA-N	0	0	197.322	3.038	10	0		AGAERN
CC[C@@H](C)[C@@H](C)C(=O)OCC1(C)CC1	790809481	630919295	/nfs/dbraw/zinc/91/92/95/630919295.db2.gz	WIMRXQODXOFPAF-NXEZZACHSA-N	0	0	198.306	3.012	10	0		AGAERN
C[C@@H](COC(=O)CC(C)(C)C)C1CC1	789611213	630919319	/nfs/dbraw/zinc/91/93/19/630919319.db2.gz	YOOYEDTVIBUOKE-VIFPVBQESA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)(C)CCC(=O)OCC1(C)CC1	790808031	630919375	/nfs/dbraw/zinc/91/93/75/630919375.db2.gz	OEHNHGKRJRTEQB-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CC(C)CCC(=O)OC[C@H](C)C1CC1	789615825	630919550	/nfs/dbraw/zinc/91/95/50/630919550.db2.gz	UHZPGXXSWCYVIR-JTQLQIEISA-N	0	0	198.306	3.012	10	0		AGAERN
CC[C@H](C)[C@@H](C)C(=O)OCC1(C)CC1	790809484	630920164	/nfs/dbraw/zinc/92/01/64/630920164.db2.gz	WIMRXQODXOFPAF-VHSXEESVSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC(CC)C(=O)OC[C@@H](C)C1CC1	789606205	630920209	/nfs/dbraw/zinc/92/02/09/630920209.db2.gz	GRSFZAFXCNJIBQ-SECBINFHSA-N	0	0	198.306	3.012	10	0		AGAERN
CC[C@H](C)[C@H](C)C(=O)OCC1(C)CC1	790809483	630920349	/nfs/dbraw/zinc/92/03/49/630920349.db2.gz	WIMRXQODXOFPAF-UWVGGRQHSA-N	0	0	198.306	3.012	10	0		AGAERN
C/C=C(/CC)C(=O)NC(C)(CC)CC	789645555	630920024	/nfs/dbraw/zinc/92/00/24/630920024.db2.gz	CODVXVXOBWIGHS-POHAHGRESA-N	0	0	197.322	3.038	10	0		AGAERN
CC[C@@H](C)[C@H](C)C(=O)OCC1(C)CC1	790809487	630920516	/nfs/dbraw/zinc/92/05/16/630920516.db2.gz	WIMRXQODXOFPAF-ZJUUUORDSA-N	0	0	198.306	3.012	10	0		AGAERN
C[C@H](COC(=O)CC(C)(C)C)C1CC1	789611212	630921026	/nfs/dbraw/zinc/92/10/26/630921026.db2.gz	YOOYEDTVIBUOKE-SECBINFHSA-N	0	0	198.306	3.012	10	0		AGAERN
CCC(C)(C)CC(=O)OCC1(C)CC1	790810901	630921442	/nfs/dbraw/zinc/92/14/42/630921442.db2.gz	WUXCWYWNZAMWNK-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CC(C)C[C@H](C)C(=O)OCC1(C)CC1	790809948	630921875	/nfs/dbraw/zinc/92/18/75/630921875.db2.gz	DWBBJUWYRPMCNY-JTQLQIEISA-N	0	0	198.306	3.012	10	0		AGAERN
CCC(CC)CC(=O)OCC1(C)CC1	790811033	630922037	/nfs/dbraw/zinc/92/20/37/630922037.db2.gz	JBEFGPYLJSFKNE-UHFFFAOYSA-N	0	0	198.306	3.156	10	0		AGAERN
CC(C)CCC(=O)OCC1=CCCC1	790828677	630922224	/nfs/dbraw/zinc/92/22/24/630922224.db2.gz	IBMALCKNZGLWJO-UHFFFAOYSA-N	0	0	196.290	3.076	10	0		AGAERN
CC(C)C[C@@H](C)C(=O)OCC1(C)CC1	790809949	630922301	/nfs/dbraw/zinc/92/23/01/630922301.db2.gz	DWBBJUWYRPMCNY-SNVBAGLBSA-N	0	0	198.306	3.012	10	0		AGAERN
CC(C)C(=O)O[C@@H]1C=CCCCCC1	793407938	630926238	/nfs/dbraw/zinc/92/62/38/630926238.db2.gz	QMBIVCPPAMGVNS-LLVKDONJSA-N	0	0	196.290	3.075	10	0		AGAERN
Cc1cccc(-c2ccccn2)c1F	793366580	630926348	/nfs/dbraw/zinc/92/63/48/630926348.db2.gz	CGPTYCAWGBBYCE-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
CCCC(=O)O[C@H]1C=CCCCCC1	793405002	630926772	/nfs/dbraw/zinc/92/67/72/630926772.db2.gz	FPILRKXBENPYBV-NSHDSACASA-N	0	0	196.290	3.219	10	0		AGAERN
CCCC(=O)O[C@@H]1C=CCCCCC1	793404996	630926964	/nfs/dbraw/zinc/92/69/64/630926964.db2.gz	FPILRKXBENPYBV-LLVKDONJSA-N	0	0	196.290	3.219	10	0		AGAERN
CC(C)C(=O)O[C@H]1C=CCCCCC1	793407940	630927053	/nfs/dbraw/zinc/92/70/53/630927053.db2.gz	QMBIVCPPAMGVNS-NSHDSACASA-N	0	0	196.290	3.075	10	0		AGAERN
CC(C)COc1ccc2cc[nH]c2c1	795235490	630928428	/nfs/dbraw/zinc/92/84/28/630928428.db2.gz	BSBJFWBQAYBRQS-UHFFFAOYSA-N	0	0	189.258	3.203	10	0		AGAERN
CCC/C=C\COC(=O)CC1(C)CC1	813910174	630935381	/nfs/dbraw/zinc/93/53/81/630935381.db2.gz	BMGDFXSEESZNMI-WAYWQWQTSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC/C=C\COC(=O)[C@@H](C)CCC	813910348	630935600	/nfs/dbraw/zinc/93/56/00/630935600.db2.gz	CZBKKNANRBPQSL-TVRMLOFPSA-N	0	0	198.306	3.322	10	0		AGAERN
CCC/C=C\COC(=O)C(CC)CC	813911017	630935648	/nfs/dbraw/zinc/93/56/48/630935648.db2.gz	GWLMOEWFTARWTG-HJWRWDBZSA-N	0	0	198.306	3.322	10	0		AGAERN
CCC/C=C/COC(=O)CC1CCC1	813914107	630935682	/nfs/dbraw/zinc/93/56/82/630935682.db2.gz	ZFFYAYGXUFSMIS-SNAWJCMRSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC/C=C\COC(=O)C1(C)CCC1	813908667	630935958	/nfs/dbraw/zinc/93/59/58/630935958.db2.gz	IGPCDJNKKYVMRF-WAYWQWQTSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC/C=C/COC(=O)C(C)(C)CC	813909008	630936019	/nfs/dbraw/zinc/93/60/19/630936019.db2.gz	DHVBCAFSCKXCBL-CMDGGOBGSA-N	0	0	198.306	3.322	10	0		AGAERN
CCC/C=C\COC(=O)[C@H](C)C(C)C	813910251	630936039	/nfs/dbraw/zinc/93/60/39/630936039.db2.gz	UMGLFHFNIJAXAK-SKVAFPRGSA-N	0	0	198.306	3.178	10	0		AGAERN
CCC/C=C\COC(=O)C1(CC)CC1	813909477	630936083	/nfs/dbraw/zinc/93/60/83/630936083.db2.gz	JGSCOOFLORAXLV-SREVYHEPSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC/C=C/COC(=O)CC1(C)CC1	813910173	630936171	/nfs/dbraw/zinc/93/61/71/630936171.db2.gz	BMGDFXSEESZNMI-AATRIKPKSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC/C=C\COC(=O)C1CCCC1	813909823	630936286	/nfs/dbraw/zinc/93/62/86/630936286.db2.gz	SCMVMADIZWVNLU-DAXSKMNVSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC/C=C\COC(=O)[C@@H](C)C(C)C	813910252	630936466	/nfs/dbraw/zinc/93/64/66/630936466.db2.gz	UMGLFHFNIJAXAK-TVRMLOFPSA-N	0	0	198.306	3.178	10	0		AGAERN
CCC/C=C/COC(=O)CC(C)(C)C	813908626	630936525	/nfs/dbraw/zinc/93/65/25/630936525.db2.gz	HOHDWDWFMPRESI-BQYQJAHWSA-N	0	0	198.306	3.322	10	0		AGAERN
CCC/C=C/COC(=O)C1CCCC1	813909824	630936550	/nfs/dbraw/zinc/93/65/50/630936550.db2.gz	SCMVMADIZWVNLU-QPJJXVBHSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC/C=C/COC(=O)[C@@H](C)CCC	813910346	630936617	/nfs/dbraw/zinc/93/66/17/630936617.db2.gz	CZBKKNANRBPQSL-AEZGRPFRSA-N	0	0	198.306	3.322	10	0		AGAERN
CCC/C=C/COC(=O)[C@@H](C)C(C)C	813910250	630936852	/nfs/dbraw/zinc/93/68/52/630936852.db2.gz	UMGLFHFNIJAXAK-AEZGRPFRSA-N	0	0	198.306	3.178	10	0		AGAERN
CCC/C=C\COC(=O)C(C)(C)CC	813909009	630936861	/nfs/dbraw/zinc/93/68/61/630936861.db2.gz	DHVBCAFSCKXCBL-HJWRWDBZSA-N	0	0	198.306	3.322	10	0		AGAERN
CCC/C=C/COC(=O)C1(C)CCC1	813908666	630937111	/nfs/dbraw/zinc/93/71/11/630937111.db2.gz	IGPCDJNKKYVMRF-AATRIKPKSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC/C=C\COC(=O)CCC1CC1	813912679	630937197	/nfs/dbraw/zinc/93/71/97/630937197.db2.gz	UPGDNIIXOJPGAY-PLNGDYQASA-N	0	0	196.290	3.076	10	0		AGAERN
CCC/C=C/COC(=O)C(CC)CC	813911016	630937220	/nfs/dbraw/zinc/93/72/20/630937220.db2.gz	GWLMOEWFTARWTG-CMDGGOBGSA-N	0	0	198.306	3.322	10	0		AGAERN
CCC/C=C/COC(=O)[C@H](C)CCC	813910349	630937253	/nfs/dbraw/zinc/93/72/53/630937253.db2.gz	CZBKKNANRBPQSL-WSKFYRRCSA-N	0	0	198.306	3.322	10	0		AGAERN
CCC/C=C\COC(=O)[C@H](C)CCC	813910347	630937305	/nfs/dbraw/zinc/93/73/05/630937305.db2.gz	CZBKKNANRBPQSL-SKVAFPRGSA-N	0	0	198.306	3.322	10	0		AGAERN
CCC/C=C\COC(=O)CC1CCC1	813914102	630937316	/nfs/dbraw/zinc/93/73/16/630937316.db2.gz	ZFFYAYGXUFSMIS-PLNGDYQASA-N	0	0	196.290	3.076	10	0		AGAERN
CCC/C=C/COC(=O)CCC1CC1	813912680	630937357	/nfs/dbraw/zinc/93/73/57/630937357.db2.gz	UPGDNIIXOJPGAY-SNAWJCMRSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC/C=C/COC(=O)[C@H](C)C(C)C	813910253	630937405	/nfs/dbraw/zinc/93/74/05/630937405.db2.gz	UMGLFHFNIJAXAK-WSKFYRRCSA-N	0	0	198.306	3.178	10	0		AGAERN
CCC/C=C\COC(=O)CC(C)(C)C	813908627	630937446	/nfs/dbraw/zinc/93/74/46/630937446.db2.gz	HOHDWDWFMPRESI-FPLPWBNLSA-N	0	0	198.306	3.322	10	0		AGAERN
CCC/C=C/COC(=O)C1(CC)CC1	813909478	630937469	/nfs/dbraw/zinc/93/74/69/630937469.db2.gz	JGSCOOFLORAXLV-VOTSOKGWSA-N	0	0	196.290	3.076	10	0		AGAERN
Cc1ccc(SCC(F)F)s1	830051562	630947593	/nfs/dbraw/zinc/94/75/93/630947593.db2.gz	AVSBVEBLJDRPMZ-UHFFFAOYSA-N	0	0	194.271	3.414	10	0		AGAERN
c1coc(-c2ccc3c(c2)CCCC3)n1	844228533	630951968	/nfs/dbraw/zinc/95/19/68/630951968.db2.gz	AEPHEBJSZCNNDM-UHFFFAOYSA-N	0	0	199.253	3.220	10	0		AGAERN
O=C(OC1CCCCCCC1)C1CC1	849164735	630962851	/nfs/dbraw/zinc/96/28/51/630962851.db2.gz	RPXZVHGGQNRKAY-UHFFFAOYSA-N	0	0	196.290	3.053	10	0		AGAERN
CCCCC(=O)OC[C@@H]1CC=CCC1	849168114	630962860	/nfs/dbraw/zinc/96/28/60/630962860.db2.gz	NBRFLGSENOFLRW-LLVKDONJSA-N	0	0	196.290	3.076	10	0		AGAERN
CCCCC(=O)OC[C@H]1CC=CCC1	849168117	630963913	/nfs/dbraw/zinc/96/39/13/630963913.db2.gz	NBRFLGSENOFLRW-NSHDSACASA-N	0	0	196.290	3.076	10	0		AGAERN
CC(C(=O)O[C@H](C)C(C)C)=C1CCC1	849800300	630968834	/nfs/dbraw/zinc/96/88/34/630968834.db2.gz	YFJQNOASVCITEE-SNVBAGLBSA-N	0	0	196.290	3.075	10	0		AGAERN
CC(C(=O)O[C@@H](C)C(C)C)=C1CCC1	849800299	630968766	/nfs/dbraw/zinc/96/87/66/630968766.db2.gz	YFJQNOASVCITEE-JTQLQIEISA-N	0	0	196.290	3.075	10	0		AGAERN
CCCOC(=O)[C@]1(C)CC=C(C)CC1	850096030	630969731	/nfs/dbraw/zinc/96/97/31/630969731.db2.gz	OMDLAIMUFPQIGN-GFCCVEGCSA-N	0	0	196.290	3.076	10	0		AGAERN
CCCOC(=O)[C@@]1(C)CC=C(C)CC1	850096032	630972068	/nfs/dbraw/zinc/97/20/68/630972068.db2.gz	OMDLAIMUFPQIGN-LBPRGKRZSA-N	0	0	196.290	3.076	10	0		AGAERN
CCC(=O)O[C@@H](C)CC1CCCCC1	115604839	630999049	/nfs/dbraw/zinc/99/90/49/630999049.db2.gz	LXCPDIGVOQFMQN-JTQLQIEISA-N	0	0	198.306	3.299	10	0		AGAERN
CCC(=O)O[C@H](C)CC1CCCCC1	115604841	630999708	/nfs/dbraw/zinc/99/97/08/630999708.db2.gz	LXCPDIGVOQFMQN-SNVBAGLBSA-N	0	0	198.306	3.299	10	0		AGAERN
CCCC(=O)O[C@@H](C)c1cccs1	221154107	631017857	/nfs/dbraw/zinc/01/78/57/631017857.db2.gz	VRNWSBRHFQZTQE-QMMMGPOBSA-N	0	0	198.287	3.152	10	0		AGAERN
CC(C)C[C@H](C)C(=O)OC1CCCC1	221395720	631018988	/nfs/dbraw/zinc/01/89/88/631018988.db2.gz	DWKVDLMZJFTEJE-JTQLQIEISA-N	0	0	198.306	3.154	10	0		AGAERN
Fc1ccc(SC(F)F)c(F)c1	222564178	631023283	/nfs/dbraw/zinc/02/32/83/631023283.db2.gz	PRKTZSHUACWQFO-UHFFFAOYSA-N	0	0	196.168	3.280	10	0		AGAERN
CC/C=C/COC(=O)CCCCC	33985419	631038466	/nfs/dbraw/zinc/03/84/66/631038466.db2.gz	ZZFNQLFGNVPSOG-SOFGYWHQSA-N	0	0	184.279	3.076	10	0		AGAERN
CC/C=C(\C)C(=O)O[C@@H](C)CCC	33992276	631039036	/nfs/dbraw/zinc/03/90/36/631039036.db2.gz	HPKANHQEOBMBEF-PCYYEKQGSA-N	0	0	184.279	3.075	10	0		AGAERN
CC/C=C(\C)C(=O)O[C@H](C)CCC	33992275	631039561	/nfs/dbraw/zinc/03/95/61/631039561.db2.gz	HPKANHQEOBMBEF-TTZKWOQHSA-N	0	0	184.279	3.075	10	0		AGAERN
CCCCN(C)c1ccc(C)cc1	34179727	631044613	/nfs/dbraw/zinc/04/46/13/631044613.db2.gz	GKBBSKGEXSEOFY-UHFFFAOYSA-N	0	0	177.291	3.231	10	0		AGAERN
CSCSc1ccccc1	36438043	631134996	/nfs/dbraw/zinc/13/49/96/631134996.db2.gz	GHFOUUIPGDXZFV-UHFFFAOYSA-N	0	0	170.302	3.099	10	0		AGAERN
CC(C)(C)COC(=O)CC(C)(C)C	39168717	631146436	/nfs/dbraw/zinc/14/64/36/631146436.db2.gz	KJDJTQCDCWWKQV-UHFFFAOYSA-N	0	0	186.295	3.012	10	0		AGAERN
CC(C)CCC(=O)Oc1ccccc1	39259492	631148769	/nfs/dbraw/zinc/14/87/69/631148769.db2.gz	BEQGZFSRANVDFW-UHFFFAOYSA-N	0	0	192.258	3.028	10	0		AGAERN
CCCC(=O)Oc1cccc(Cl)c1	79272851	631155861	/nfs/dbraw/zinc/15/58/61/631155861.db2.gz	HZARZHYUFQHLAF-UHFFFAOYSA-N	0	0	198.649	3.046	10	0		AGAERN
C/C=C\c1ccc2ccccc2n1	79084651	631156011	/nfs/dbraw/zinc/15/60/11/631156011.db2.gz	NJEPMWNTUJFVTQ-DJWKRKHSSA-N	0	0	169.227	3.268	10	0		AGAERN
C1=C(c2ccncc2)CCCC1	82124005	631156903	/nfs/dbraw/zinc/15/69/03/631156903.db2.gz	YSDKUDZYCZEFEZ-UHFFFAOYSA-N	0	0	159.232	3.039	10	0		AGAERN
CC(C)C(=O)O[C@H](C)C1CCCCC1	82075495	631157203	/nfs/dbraw/zinc/15/72/03/631157203.db2.gz	JDAOTUODVUHBNW-SNVBAGLBSA-N	0	0	198.306	3.154	10	0		AGAERN
CCCC(=O)Oc1c(C)cccc1C	80483463	631157378	/nfs/dbraw/zinc/15/73/78/631157378.db2.gz	CVRYRIUYBBTAIK-UHFFFAOYSA-N	0	0	192.258	3.009	10	0		AGAERN
CC(C)C(=O)O[C@@H](C)C1CCCCC1	82075494	631157512	/nfs/dbraw/zinc/15/75/12/631157512.db2.gz	JDAOTUODVUHBNW-JTQLQIEISA-N	0	0	198.306	3.154	10	0		AGAERN
CCCCOc1ccc2cc[nH]c2c1	82112854	631157701	/nfs/dbraw/zinc/15/77/01/631157701.db2.gz	ODCZOLHQEBEYKH-UHFFFAOYSA-N	0	0	189.258	3.347	10	0		AGAERN
CC(C)C(=O)OC1CCCCCCC1	196683790	631157899	/nfs/dbraw/zinc/15/78/99/631157899.db2.gz	NFJWHSVZRBSBDU-UHFFFAOYSA-N	0	0	198.306	3.299	10	0		AGAERN
CC/C=C\COC(=O)CCCCCC	195793323	631157856	/nfs/dbraw/zinc/15/78/56/631157856.db2.gz	YOYYNSFGYONYRZ-TWGQIWQCSA-N	0	0	198.306	3.466	10	0		AGAERN
CCOC(=O)C=C1CCC(CC)CC1	197181621	631159219	/nfs/dbraw/zinc/15/92/19/631159219.db2.gz	MAYOOWHHJHNDTL-UHFFFAOYSA-N	0	0	196.290	3.076	10	0		AGAERN
CCCC/C(=C/C(=O)OCC)CC	90416476	631159841	/nfs/dbraw/zinc/15/98/41/631159841.db2.gz	SOBLALDYGBRGOE-MDZDMXLPSA-N	0	0	184.279	3.076	10	0		AGAERN
CCCCCCC(=O)N(C)[C@H](C)CC	90215858	631159981	/nfs/dbraw/zinc/15/99/81/631159981.db2.gz	GSPVRHCCUALHOH-LLVKDONJSA-N	0	0	199.338	3.214	10	0		AGAERN
CCCCC/C=C\C(=O)OC(C)(C)C	90427390	631159985	/nfs/dbraw/zinc/15/99/85/631159985.db2.gz	NZHMSRWEDCYVCB-KTKRTIGZSA-N	0	0	198.306	3.465	10	0		AGAERN
CCCN(C)c1ccc(C)cc1C	306216822	631168605	/nfs/dbraw/zinc/16/86/05/631168605.db2.gz	CJZQDDUUVLSJOI-UHFFFAOYSA-N	0	0	177.291	3.150	10	0		AGAERN
Cc1cccnc1-c1ccc(F)cc1	15446262	525472465	/nfs/dbraw/zinc/47/24/65/525472465.db2.gz	SMLRZUKZRWULBE-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
CC(C)O[C@H](C)Cc1ccccc1	5760922	1224162257	/nfs/dbraw/zinc/16/22/57/1224162257.db2.gz	DLXYCIPTVAINIZ-LLVKDONJSA-N	0	0	178.275	3.043	10	0		AGAERN
CC(C)O[C@@H](C)Cc1ccccc1	5760917	1224162359	/nfs/dbraw/zinc/16/23/59/1224162359.db2.gz	DLXYCIPTVAINIZ-NSHDSACASA-N	0	0	178.275	3.043	10	0		AGAERN
CCCCC[C@H](C)NCC(F)(F)F	20084451	1224164408	/nfs/dbraw/zinc/16/44/08/1224164408.db2.gz	UCLSQKFDQHERSW-QMMMGPOBSA-N	0	0	197.244	3.107	10	0		AGAERN
CCCCC[C@@H](C)NCC(F)(F)F	20084449	1224164094	/nfs/dbraw/zinc/16/40/94/1224164094.db2.gz	UCLSQKFDQHERSW-MRVPVSSYSA-N	0	0	197.244	3.107	10	0		AGAERN
CC[C@@H](C)Nc1ccc2[nH]ccc2c1	20132767	1224164136	/nfs/dbraw/zinc/16/41/36/1224164136.db2.gz	PXOAVUAAMYTIFD-SECBINFHSA-N	0	0	188.274	3.378	10	0		AGAERN
CC(C)CNc1ccc2[nH]ccc2c1	20132344	1224164202	/nfs/dbraw/zinc/16/42/02/1224164202.db2.gz	YAHKIXSSQIHNFB-UHFFFAOYSA-N	0	0	188.274	3.236	10	0		AGAERN
CC[C@H](C)Nc1ccc2[nH]ccc2c1	20132771	1224164381	/nfs/dbraw/zinc/16/43/81/1224164381.db2.gz	PXOAVUAAMYTIFD-VIFPVBQESA-N	0	0	188.274	3.378	10	0		AGAERN
CCCCNc1ccc2[nH]ccc2c1	20132743	1224164400	/nfs/dbraw/zinc/16/44/00/1224164400.db2.gz	RHQLXNQCOWMWPG-UHFFFAOYSA-N	0	0	188.274	3.380	10	0		AGAERN
CC[C@H](C)Oc1cccc(C(C)=O)c1	20217358	1224164880	/nfs/dbraw/zinc/16/48/80/1224164880.db2.gz	PMGMRKJUBWKWAK-VIFPVBQESA-N	0	0	192.258	3.067	10	0		AGAERN
CC[C@@H](C)Oc1cccc(C(C)=O)c1	20217357	1224165171	/nfs/dbraw/zinc/16/51/71/1224165171.db2.gz	PMGMRKJUBWKWAK-SECBINFHSA-N	0	0	192.258	3.067	10	0		AGAERN
C=C(c1ccccc1)c1ccc(O)cc1	34612595	1224165623	/nfs/dbraw/zinc/16/56/23/1224165623.db2.gz	AMUVFBUZGGABLN-UHFFFAOYSA-N	0	0	196.249	3.454	10	0		AGAERN
Nc1ccccc1CC1CCCC1	34615646	1224165928	/nfs/dbraw/zinc/16/59/28/1224165928.db2.gz	WFHYPMHJDRZBLS-UHFFFAOYSA-N	0	0	175.275	3.002	10	0		AGAERN
CC(C)Cc1ccc2ocnc2c1	62498588	1224171251	/nfs/dbraw/zinc/17/12/51/1224171251.db2.gz	XAUDWAFNSUQBMA-UHFFFAOYSA-N	0	0	175.231	3.026	10	0		AGAERN
CCCCc1ccc2ocnc2c1	62498589	1224171926	/nfs/dbraw/zinc/17/19/26/1224171926.db2.gz	RKIWXFUQQLZKQH-UHFFFAOYSA-N	0	0	175.231	3.170	10	0		AGAERN
CC[C@H](C)c1cccc([C@@H](C)O)c1	62718930	1224172615	/nfs/dbraw/zinc/17/26/15/1224172615.db2.gz	KUDDZKWHLYCXMU-VHSXEESVSA-N	0	0	178.275	3.253	10	0		AGAERN
CC[C@@H](C)c1cccc([C@@H](C)O)c1	62718927	1224172677	/nfs/dbraw/zinc/17/26/77/1224172677.db2.gz	KUDDZKWHLYCXMU-NXEZZACHSA-N	0	0	178.275	3.253	10	0		AGAERN
CC[C@@H](C)c1cccc([C@H](C)O)c1	62718933	1224172810	/nfs/dbraw/zinc/17/28/10/1224172810.db2.gz	KUDDZKWHLYCXMU-ZJUUUORDSA-N	0	0	178.275	3.253	10	0		AGAERN
CCc1ccc(-c2cncc(O)c2)cc1	65337718	1224173806	/nfs/dbraw/zinc/17/38/06/1224173806.db2.gz	DLTJDERKJIGQKR-UHFFFAOYSA-N	0	0	199.253	3.017	10	0		AGAERN
Cc1cc(O)cc(-c2ccsc2)c1	65340207	1224173822	/nfs/dbraw/zinc/17/38/22/1224173822.db2.gz	DVVPEGGJWYJPOU-UHFFFAOYSA-N	0	0	190.267	3.429	10	0		AGAERN
Cc1ccc(C)c(C(C)C)c1	66381662	1224174295	/nfs/dbraw/zinc/17/42/95/1224174295.db2.gz	CLSBTDGUHSQYTO-UHFFFAOYSA-N	0	0	148.249	3.427	10	0		AGAERN
CCCC[C@@H](CC)NCC(F)(F)F	68985171	1224175146	/nfs/dbraw/zinc/17/51/46/1224175146.db2.gz	QVWZZDVLNYFROM-MRVPVSSYSA-N	0	0	197.244	3.107	10	0		AGAERN
Cc1cncc(N[C@@H](C)C(C)(C)C)c1	134342107	1224184563	/nfs/dbraw/zinc/18/45/63/1224184563.db2.gz	MSZDOLCLEGDUBN-JTQLQIEISA-N	0	0	192.306	3.237	10	0		AGAERN
CC(C)c1cc(F)cc(C(C)(C)O)c1	143097241	1224187138	/nfs/dbraw/zinc/18/71/38/1224187138.db2.gz	MGJQFHYAXVOJAP-UHFFFAOYSA-N	0	0	196.265	3.177	10	0		AGAERN
CCc1cc(F)ccc1C(F)(F)F	143102736	1224187285	/nfs/dbraw/zinc/18/72/85/1224187285.db2.gz	GCIBGCCVETVJCK-UHFFFAOYSA-N	0	0	192.155	3.407	10	0		AGAERN
N#CCCCc1cccc2[nH]ccc12	146629218	1224188651	/nfs/dbraw/zinc/18/86/51/1224188651.db2.gz	FMWMCNHOTNQSFU-UHFFFAOYSA-N	0	0	184.242	3.014	10	0		AGAERN
Cc1ccccc1-c1cnccc1C	146543181	1224188757	/nfs/dbraw/zinc/18/87/57/1224188757.db2.gz	QXMSYJNXODDYLQ-UHFFFAOYSA-N	0	0	183.254	3.365	10	0		AGAERN
Cc1ccc(Nc2ccccc2)cc1O	146522225	1224188847	/nfs/dbraw/zinc/18/88/47/1224188847.db2.gz	OLDKQKRATPYEEJ-UHFFFAOYSA-N	0	0	199.253	3.444	10	0		AGAERN
Fc1cc(F)cc(-c2nccs2)c1	164697091	1224194806	/nfs/dbraw/zinc/19/48/06/1224194806.db2.gz	XEUQISPSIWERTQ-UHFFFAOYSA-N	0	0	197.209	3.088	10	0		AGAERN
Cc1cccc(Cc2nccs2)c1	164696957	1224194862	/nfs/dbraw/zinc/19/48/62/1224194862.db2.gz	BWZBJEZNTXVSDL-UHFFFAOYSA-N	0	0	189.283	3.042	10	0		AGAERN
CC(C)Oc1ccc2occc2c1	164847168	1224195034	/nfs/dbraw/zinc/19/50/34/1224195034.db2.gz	VVLKERXNMZGVCQ-UHFFFAOYSA-N	0	0	176.215	3.220	10	0		AGAERN
CCCSC/C(C)=C/Cl	164835707	1224195139	/nfs/dbraw/zinc/19/51/39/1224195139.db2.gz	CGAZHYSZJPSFJW-FNORWQNLSA-N	0	0	164.701	3.272	10	0		AGAERN
Cc1ccc(Cc2nccs2)cc1	164697887	1224195332	/nfs/dbraw/zinc/19/53/32/1224195332.db2.gz	ZJKOOHQMMNPAEK-UHFFFAOYSA-N	0	0	189.283	3.042	10	0		AGAERN
Cc1ccc(-c2nccs2)c(F)c1	164694204	1224195583	/nfs/dbraw/zinc/19/55/83/1224195583.db2.gz	XSGKEOMOLAJNCX-UHFFFAOYSA-N	0	0	193.246	3.258	10	0		AGAERN
CC[C@H](C)c1cccc(C(C)=O)c1	165232410	1224196030	/nfs/dbraw/zinc/19/60/30/1224196030.db2.gz	FEHLNFYEQNSSFD-VIFPVBQESA-N	0	0	176.259	3.403	10	0		AGAERN
Cc1cc(C)c(C2CC2)c(C)c1	165226966	1224196070	/nfs/dbraw/zinc/19/60/70/1224196070.db2.gz	OLYQKRYMKKZLTD-UHFFFAOYSA-N	0	0	160.260	3.489	10	0		AGAERN
CC[C@@H](C)c1cccc(C(C)=O)c1	165232310	1224196746	/nfs/dbraw/zinc/19/67/46/1224196746.db2.gz	FEHLNFYEQNSSFD-SECBINFHSA-N	0	0	176.259	3.403	10	0		AGAERN
Cc1cccc(-c2cccc(C)n2)c1	165055165	1224196952	/nfs/dbraw/zinc/19/69/52/1224196952.db2.gz	YEKOXVUDVUIYDK-UHFFFAOYSA-N	0	0	183.254	3.365	10	0		AGAERN
C=CC[C@@H](C)Oc1ccccc1	166269162	1224197883	/nfs/dbraw/zinc/19/78/83/1224197883.db2.gz	WDUVDTKWAKLXOO-SNVBAGLBSA-N	0	0	162.232	3.030	10	0		AGAERN
CC[C@H](C)c1c(F)cccc1F	166470559	1224198502	/nfs/dbraw/zinc/19/85/02/1224198502.db2.gz	OBRIAZMDEZGQRE-ZETCQYMHSA-N	0	0	170.202	3.478	10	0		AGAERN
CC[C@@H](C)c1c(F)cccc1F	166470437	1224198562	/nfs/dbraw/zinc/19/85/62/1224198562.db2.gz	OBRIAZMDEZGQRE-SSDOTTSWSA-N	0	0	170.202	3.478	10	0		AGAERN
CCc1cccc(-c2cccc(N)c2)c1	168248278	1224200237	/nfs/dbraw/zinc/20/02/37/1224200237.db2.gz	WNWMRRDMFLLYGU-UHFFFAOYSA-N	0	0	197.281	3.498	10	0		AGAERN
Cc1ncccc1Nc1ccccc1	168301007	1224200903	/nfs/dbraw/zinc/20/09/03/1224200903.db2.gz	CAUOFOKMYICGAE-UHFFFAOYSA-N	0	0	184.242	3.134	10	0		AGAERN
CC(C)(C)Cc1c[nH]c2ncccc12	196323343	1224203918	/nfs/dbraw/zinc/20/39/18/1224203918.db2.gz	ITQRPOUEVNMVPH-UHFFFAOYSA-N	0	0	188.274	3.152	10	0		AGAERN
Cc1ccccc1Cc1ccccc1N	196505474	1224204562	/nfs/dbraw/zinc/20/45/62/1224204562.db2.gz	YHNSEBGPHZWRIX-UHFFFAOYSA-N	0	0	197.281	3.168	10	0		AGAERN
Cc1ccccc1C(C)(F)F	197175710	1224205688	/nfs/dbraw/zinc/20/56/88/1224205688.db2.gz	VFIBYRWMDWFOSI-UHFFFAOYSA-N	0	0	156.175	3.107	10	0		AGAERN
Cc1nc2cc(C3CC3)ccc2s1	198877645	1224206722	/nfs/dbraw/zinc/20/67/22/1224206722.db2.gz	SLGXDZFCYIYAAF-UHFFFAOYSA-N	0	0	189.283	3.482	10	0		AGAERN
c1cnc2ccc(C3CC3)cc2c1	198856942	1224206822	/nfs/dbraw/zinc/20/68/22/1224206822.db2.gz	BTIJUXMNPMNBAN-UHFFFAOYSA-N	0	0	169.227	3.112	10	0		AGAERN
CC[C@@H](C)c1cc(O)ccc1C	199083456	1224206830	/nfs/dbraw/zinc/20/68/30/1224206830.db2.gz	VWJBEOPTULTNMM-MRVPVSSYSA-N	0	0	164.248	3.214	10	0		AGAERN
CC[C@H](C)c1cc(O)ccc1C	199083471	1224207221	/nfs/dbraw/zinc/20/72/21/1224207221.db2.gz	VWJBEOPTULTNMM-QMMMGPOBSA-N	0	0	164.248	3.214	10	0		AGAERN
C/C=C(\C)c1ccc(NC(C)=O)cc1	199737215	1224207865	/nfs/dbraw/zinc/20/78/65/1224207865.db2.gz	JXXLGYQDAXNASN-RUDMXATFSA-N	0	0	189.258	3.068	10	0		AGAERN
CCc1cccc(Nc2ccccn2)c1	199803949	1224208194	/nfs/dbraw/zinc/20/81/94/1224208194.db2.gz	QUADHUOQJZFKBD-UHFFFAOYSA-N	0	0	198.269	3.388	10	0		AGAERN
FC(F)(F)CC1=CCCC1	201356507	1224211563	/nfs/dbraw/zinc/21/15/63/1224211563.db2.gz	DLTPHHAZWIOBKR-UHFFFAOYSA-N	0	0	150.143	3.049	10	0		AGAERN
COc1ccc(F)cc1CC(C)(C)C	202748529	1224213127	/nfs/dbraw/zinc/21/31/27/1224213127.db2.gz	KBMZLVLZLKVTRD-UHFFFAOYSA-N	0	0	196.265	3.423	10	0		AGAERN
Cc1ccnc(C2=CCCCC2)c1	202766609	1224213413	/nfs/dbraw/zinc/21/34/13/1224213413.db2.gz	KCOPXROXELVCQR-UHFFFAOYSA-N	0	0	173.259	3.347	10	0		AGAERN
CC(C)(C)Cc1cccc2c1OCC2	202748985	1224213671	/nfs/dbraw/zinc/21/36/71/1224213671.db2.gz	ZOUWTUAUKXXBRY-UHFFFAOYSA-N	0	0	190.286	3.210	10	0		AGAERN
CC(C)(C)Cc1ccc(O)cc1F	202901436	1224214085	/nfs/dbraw/zinc/21/40/85/1224214085.db2.gz	FCARFBYJRISJHJ-UHFFFAOYSA-N	0	0	182.238	3.120	10	0		AGAERN
CC(C)(C)Cc1ccc(O)c(F)c1	202901493	1224214240	/nfs/dbraw/zinc/21/42/40/1224214240.db2.gz	MGIVHCZPTXAXBE-UHFFFAOYSA-N	0	0	182.238	3.120	10	0		AGAERN
Cc1ccc(-c2cnc(C)s2)cc1	202828246	1224214420	/nfs/dbraw/zinc/21/44/20/1224214420.db2.gz	QTIXHRPZIBVVCY-UHFFFAOYSA-N	0	0	189.283	3.427	10	0		AGAERN
COc1ccc(C2CCCC2)cc1O	213633770	1224216353	/nfs/dbraw/zinc/21/63/53/1224216353.db2.gz	LALCECIMOVDLCV-UHFFFAOYSA-N	0	0	192.258	3.058	10	0		AGAERN
C/C=C(\C)CC(=O)c1ccccc1	214248438	1224217591	/nfs/dbraw/zinc/21/75/91/1224217591.db2.gz	QYNLMCLVJGVTMU-XCVCLJGOSA-N	0	0	174.243	3.226	10	0		AGAERN
Cc1cc(O)ccc1C1CCCC1	220313167	1224223543	/nfs/dbraw/zinc/22/35/43/1224223543.db2.gz	GXZYZYULHXCAAK-UHFFFAOYSA-N	0	0	176.259	3.358	10	0		AGAERN
C=Cc1cc(F)ccc1C(F)(F)F	231477739	1224230698	/nfs/dbraw/zinc/23/06/98/1224230698.db2.gz	PKEJTTIEDGKHCI-UHFFFAOYSA-N	0	0	190.139	3.488	10	0		AGAERN
CCc1cccc(SC)c1F	231510623	1224230710	/nfs/dbraw/zinc/23/07/10/1224230710.db2.gz	YWUWBQJQRFROPA-UHFFFAOYSA-N	0	0	170.252	3.110	10	0		AGAERN
O=C1CCCc2cc(C3CC3)ccc21	238595074	1224236911	/nfs/dbraw/zinc/23/69/11/1224236911.db2.gz	NEVHLXQJZVUCOQ-UHFFFAOYSA-N	0	0	186.254	3.083	10	0		AGAERN
Nc1c(F)cc(C2CCCC2)cc1F	238578152	1224237392	/nfs/dbraw/zinc/23/73/92/1224237392.db2.gz	CPQBUFUQZHGNHV-UHFFFAOYSA-N	0	0	197.228	3.205	10	0		AGAERN
Cc1ccc(C2CCCC2)cc1N	257963742	1224242458	/nfs/dbraw/zinc/24/24/58/1224242458.db2.gz	XQJIERNEALEHBR-UHFFFAOYSA-N	0	0	175.275	3.235	10	0		AGAERN
C1=C(c2ccc3c(c2)NCC3)CCC1	306162231	1224244773	/nfs/dbraw/zinc/24/47/73/1224244773.db2.gz	MRNBTJWSGMIQFX-UHFFFAOYSA-N	0	0	185.270	3.222	10	0		AGAERN
CC(C)[C@@H](C)Oc1cccc(F)c1	306192914	1224247231	/nfs/dbraw/zinc/24/72/31/1224247231.db2.gz	DCORUXOBXFXRCO-SECBINFHSA-N	0	0	182.238	3.249	10	0		AGAERN
CC(C)[C@H](C)Oc1cccc(F)c1	306192918	1224247912	/nfs/dbraw/zinc/24/79/12/1224247912.db2.gz	DCORUXOBXFXRCO-VIFPVBQESA-N	0	0	182.238	3.249	10	0		AGAERN
CC(C)[C@H](C)Oc1cccnc1Cl	306282702	1224250456	/nfs/dbraw/zinc/25/04/56/1224250456.db2.gz	AVSDWZGUGWKAEP-QMMMGPOBSA-N	0	0	199.681	3.158	10	0		AGAERN
CC(C)[C@@H](C)Oc1cccnc1Cl	306282701	1224250973	/nfs/dbraw/zinc/25/09/73/1224250973.db2.gz	AVSDWZGUGWKAEP-MRVPVSSYSA-N	0	0	199.681	3.158	10	0		AGAERN
Cc1cccc(C2=CCCCC2)n1	306434020	1224258195	/nfs/dbraw/zinc/25/81/95/1224258195.db2.gz	YQYRCYAWGAKXHS-UHFFFAOYSA-N	0	0	173.259	3.347	10	0		AGAERN
CCC/C=C/CCSCC	306444781	1224259643	/nfs/dbraw/zinc/25/96/43/1224259643.db2.gz	PLOVAICLOWBSOO-VOTSOKGWSA-N	0	0	158.310	3.486	10	0		AGAERN
Cc1cc(C2=CCCCC2)ccn1	306509432	1224263019	/nfs/dbraw/zinc/26/30/19/1224263019.db2.gz	JHNXKIDGGCHSSU-UHFFFAOYSA-N	0	0	173.259	3.347	10	0		AGAERN
Cc1cc(O)cc(O[C@@H](C)C(C)C)c1	306539835	1224266045	/nfs/dbraw/zinc/26/60/45/1224266045.db2.gz	NZURGNJPSVYEPA-JTQLQIEISA-N	0	0	194.274	3.124	10	0		AGAERN
C1=C(CC2CCC2)CCC1	306587390	1224267719	/nfs/dbraw/zinc/26/77/19/1224267719.db2.gz	SFYWOGQFFQYZHH-UHFFFAOYSA-N	0	0	136.238	3.287	10	0		AGAERN
Cc1ccc2[nH]c(C3CC3)nc2c1C	306614370	1224268316	/nfs/dbraw/zinc/26/83/16/1224268316.db2.gz	AIVKMJSPGYFRDP-UHFFFAOYSA-N	0	0	186.258	3.057	10	0		AGAERN
CC(C)(C)C(=O)CC1=CCCC1	306640808	1224269072	/nfs/dbraw/zinc/26/90/72/1224269072.db2.gz	KWEJUWXSJVZSPA-UHFFFAOYSA-N	0	0	166.264	3.102	10	0		AGAERN
C1=C(c2ccc3c(c2)CCN3)CCC1	306646353	1224270234	/nfs/dbraw/zinc/27/02/34/1224270234.db2.gz	OTQBMRSXGYZPDL-UHFFFAOYSA-N	0	0	185.270	3.222	10	0		AGAERN
Cc1cc(F)c(F)cc1OC(C)C	306664504	1224271843	/nfs/dbraw/zinc/27/18/43/1224271843.db2.gz	WZADRHMGRGNZGY-UHFFFAOYSA-N	0	0	186.201	3.060	10	0		AGAERN
Fc1ccc(CC2=CCCC2)cc1	306936474	1224274392	/nfs/dbraw/zinc/27/43/92/1224274392.db2.gz	HYUQICXJZUVGEV-UHFFFAOYSA-N	0	0	176.234	3.479	10	0		AGAERN
CC[C@@H](C)Nc1cc(C2CC2)ccn1	307067454	1224274976	/nfs/dbraw/zinc/27/49/76/1224274976.db2.gz	KWNZAKZEPQGMRT-SECBINFHSA-N	0	0	190.290	3.169	10	0		AGAERN
CC[C@@H](C)Oc1ccc(C)c(C)c1	307068001	1224275028	/nfs/dbraw/zinc/27/50/28/1224275028.db2.gz	LYIUETOWVHGDOY-LLVKDONJSA-N	0	0	178.275	3.481	10	0		AGAERN
CC[C@H](C)Oc1ccc(C)c(C)c1	307068006	1224275086	/nfs/dbraw/zinc/27/50/86/1224275086.db2.gz	LYIUETOWVHGDOY-NSHDSACASA-N	0	0	178.275	3.481	10	0		AGAERN
CC[C@H](C)Nc1cc(C2CC2)ccn1	307067455	1224275492	/nfs/dbraw/zinc/27/54/92/1224275492.db2.gz	KWNZAKZEPQGMRT-VIFPVBQESA-N	0	0	190.290	3.169	10	0		AGAERN
Cn1c(C2CC2)cc2ccccc21	307112773	1224276369	/nfs/dbraw/zinc/27/63/69/1224276369.db2.gz	QOOJQGXRUAUYHD-UHFFFAOYSA-N	0	0	171.243	3.056	10	0		AGAERN
Cc1ncc(-c2ccccc2)cc1F	307120841	1224277246	/nfs/dbraw/zinc/27/72/46/1224277246.db2.gz	TYWUAAFWMSLDDV-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1ncc(F)cc1-c1ccccc1	307190652	1224280328	/nfs/dbraw/zinc/28/03/28/1224280328.db2.gz	YFUOYFNLTAFSRL-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
C=Cc1ccc2ccc(C)nc2c1	307190439	1224280524	/nfs/dbraw/zinc/28/05/24/1224280524.db2.gz	XLSVUYVQHZZMJZ-UHFFFAOYSA-N	0	0	169.227	3.186	10	0		AGAERN
CC[C@@H](C)c1ccc(OC)c(F)c1	307465842	1224283955	/nfs/dbraw/zinc/28/39/55/1224283955.db2.gz	DLTLJIIYLMXLBH-MRVPVSSYSA-N	0	0	182.238	3.348	10	0		AGAERN
CC[C@H](C)c1ccc(OC)c(F)c1	307465844	1224284517	/nfs/dbraw/zinc/28/45/17/1224284517.db2.gz	DLTLJIIYLMXLBH-QMMMGPOBSA-N	0	0	182.238	3.348	10	0		AGAERN
Fc1ccccc1CC1=CCCC1	307515124	1224285546	/nfs/dbraw/zinc/28/55/46/1224285546.db2.gz	UHRIXNRBWHCHFD-UHFFFAOYSA-N	0	0	176.234	3.479	10	0		AGAERN
CC[C@H](C)Oc1c(F)cccc1F	307551781	1224287307	/nfs/dbraw/zinc/28/73/07/1224287307.db2.gz	PWCFYKDJPQIQDP-ZETCQYMHSA-N	0	0	186.201	3.142	10	0		AGAERN
CC[C@@H](C)Oc1c(F)cccc1F	307551779	1224288121	/nfs/dbraw/zinc/28/81/21/1224288121.db2.gz	PWCFYKDJPQIQDP-SSDOTTSWSA-N	0	0	186.201	3.142	10	0		AGAERN
C/C=C\CSCCSCC	307827635	1224292639	/nfs/dbraw/zinc/29/26/39/1224292639.db2.gz	HUOGPYSFQHWAKO-HYXAFXHYSA-N	0	0	176.350	3.049	10	0		AGAERN
CCC(CC)N(CC)CC(F)(F)F	379373279	1224309865	/nfs/dbraw/zinc/30/98/65/1224309865.db2.gz	KYVCSVYELIOYJG-UHFFFAOYSA-N	0	0	197.244	3.059	10	0		AGAERN
CCCCOC(=O)/C=C(/C)CCC	379396128	1224313131	/nfs/dbraw/zinc/31/31/31/1224313131.db2.gz	DGAQNEKTQHBGEK-KTKRTIGZSA-N	0	0	184.279	3.076	10	0		AGAERN
Cc1cnccc1-c1cccc(F)c1	605687138	1224345921	/nfs/dbraw/zinc/34/59/21/1224345921.db2.gz	UUSHDFLAVXXGQP-UHFFFAOYSA-N	0	0	187.217	3.196	10	0		AGAERN
Cc1cccnc1OC1CCCCC1	605704853	1224346030	/nfs/dbraw/zinc/34/60/30/1224346030.db2.gz	FYHOGLNZZNMVCQ-UHFFFAOYSA-N	0	0	191.274	3.102	10	0		AGAERN
c1cc(OC2CC2)c2ccsc2c1	606264275	1224347075	/nfs/dbraw/zinc/34/70/75/1224347075.db2.gz	WPBUQTQFDZWIRB-UHFFFAOYSA-N	0	0	190.267	3.443	10	0		AGAERN
Cc1ccncc1N[C@@H](C)C(C)(C)C	606265300	1224348317	/nfs/dbraw/zinc/34/83/17/1224348317.db2.gz	LYWIKQBRELETIP-JTQLQIEISA-N	0	0	192.306	3.237	10	0		AGAERN
C[C@H](Nc1ccc(O)cc1)C(C)(C)C	606266509	1224348963	/nfs/dbraw/zinc/34/89/63/1224348963.db2.gz	DNGJQCYDRCROGR-VIFPVBQESA-N	0	0	193.290	3.239	10	0		AGAERN
C[C@H](Nc1cccc(O)c1)C(C)(C)C	606266438	1224349011	/nfs/dbraw/zinc/34/90/11/1224349011.db2.gz	BGSQYRILGOQOMW-VIFPVBQESA-N	0	0	193.290	3.239	10	0		AGAERN
Cc1ccccc1O[C@@H]1C=CCC1	1225216624	1224408026	/nfs/dbraw/zinc/40/80/26/1224408026.db2.gz	INCDANPPAIDURZ-LLVKDONJSA-N	0	0	174.243	3.092	10	0		AGAERN
Clc1ccccc1O[C@@H]1C=CCC1	1225209272	1224408036	/nfs/dbraw/zinc/40/80/36/1224408036.db2.gz	RDPOCXDFXVSNPM-SECBINFHSA-N	0	0	194.661	3.437	10	0		AGAERN
Cc1ccccc1O[C@H]1C=CCC1	1225216625	1224408407	/nfs/dbraw/zinc/40/84/07/1224408407.db2.gz	INCDANPPAIDURZ-NSHDSACASA-N	0	0	174.243	3.092	10	0		AGAERN
Clc1ccccc1O[C@H]1C=CCC1	1225209273	1224408416	/nfs/dbraw/zinc/40/84/16/1224408416.db2.gz	RDPOCXDFXVSNPM-VIFPVBQESA-N	0	0	194.661	3.437	10	0		AGAERN
Clc1ccc(O[C@@H]2C=CCC2)cc1	1225250627	1224410339	/nfs/dbraw/zinc/41/03/39/1224410339.db2.gz	BYBVEPHZEIAGOY-SNVBAGLBSA-N	0	0	194.661	3.437	10	0		AGAERN
Clc1ccc(O[C@H]2C=CCC2)cc1	1225250626	1224410724	/nfs/dbraw/zinc/41/07/24/1224410724.db2.gz	BYBVEPHZEIAGOY-JTQLQIEISA-N	0	0	194.661	3.437	10	0		AGAERN
CCCSc1nc(C(C)(C)C)co1	1307408296	1224431664	/nfs/dbraw/zinc/43/16/64/1224431664.db2.gz	WSAVKYGSVQUHMT-UHFFFAOYSA-N	0	0	199.319	3.474	10	0		AGAERN
CC(C)C[C@H](C)c1nnc(C(C)C)o1	1326538486	1224434775	/nfs/dbraw/zinc/43/47/75/1224434775.db2.gz	KRBWFLYPODLOFI-VIFPVBQESA-N	0	0	196.294	3.343	10	0		AGAERN
CC(C)C[C@@H](C)c1nnc(C(C)C)o1	1326538485	1224434978	/nfs/dbraw/zinc/43/49/78/1224434978.db2.gz	KRBWFLYPODLOFI-SECBINFHSA-N	0	0	196.294	3.343	10	0		AGAERN
CCCc1ccn(CCC=C(C)C)n1	1327713370	1224436539	/nfs/dbraw/zinc/43/65/39/1224436539.db2.gz	CICYLVAZULFWIP-UHFFFAOYSA-N	0	0	192.306	3.192	10	0		AGAERN
CCc1csc(-c2coc(C)c2)n1	1329237851	1224443929	/nfs/dbraw/zinc/44/39/29/1224443929.db2.gz	WHWGQPANLRSPAI-UHFFFAOYSA-N	0	0	193.271	3.274	10	0		AGAERN
CC(C)c1nnc([C@@H]2CCC2(C)C)o1	1329222499	1224444673	/nfs/dbraw/zinc/44/46/73/1224444673.db2.gz	LOGMRLKSWIIONH-QMMMGPOBSA-N	0	0	194.278	3.097	10	0		AGAERN
CC(C)c1nnc([C@H]2CCC2(C)C)o1	1329222497	1224444739	/nfs/dbraw/zinc/44/47/39/1224444739.db2.gz	LOGMRLKSWIIONH-MRVPVSSYSA-N	0	0	194.278	3.097	10	0		AGAERN
C=C/C=C\CCSc1ccccn1	1458772479	1224474770	/nfs/dbraw/zinc/47/47/70/1224474770.db2.gz	STUAWIMJWSOBLE-ARJAWSKDSA-N	0	0	191.299	3.306	10	0		AGAERN
C=C/C=C/CCSc1ccccn1	1458772694	1224474411	/nfs/dbraw/zinc/47/44/11/1224474411.db2.gz	STUAWIMJWSOBLE-ONEGZZNKSA-N	0	0	191.299	3.306	10	0		AGAERN
Cc1cc(CSC2CCC2)sn1	1459100088	1224476235	/nfs/dbraw/zinc/47/62/35/1224476235.db2.gz	ZDYWAWQSCBVDOS-UHFFFAOYSA-N	0	0	199.344	3.237	10	0		AGAERN
CC[C@H](C)[C@@H](C)Sc1ncccn1	1472926606	1224480529	/nfs/dbraw/zinc/48/05/29/1224480529.db2.gz	LGBNHKSIJHEQGO-DTWKUNHWSA-N	0	0	196.319	3.003	10	0		AGAERN
CC[C@H](C)[C@H](C)Sc1ncccn1	1472926607	1224480322	/nfs/dbraw/zinc/48/03/22/1224480322.db2.gz	LGBNHKSIJHEQGO-IUCAKERBSA-N	0	0	196.319	3.003	10	0		AGAERN
CC[C@@H](C)[C@H](C)Sc1ncccn1	1472926605	1224480327	/nfs/dbraw/zinc/48/03/27/1224480327.db2.gz	LGBNHKSIJHEQGO-BDAKNGLRSA-N	0	0	196.319	3.003	10	0		AGAERN
CC[C@@H](C)[C@@H](C)Sc1ncccn1	1472926608	1224480454	/nfs/dbraw/zinc/48/04/54/1224480454.db2.gz	LGBNHKSIJHEQGO-RKDXNWHRSA-N	0	0	196.319	3.003	10	0		AGAERN
C[Si](C)(C)CSC1CCC1	1473033906	1224481383	/nfs/dbraw/zinc/48/13/83/1224481383.db2.gz	IGAGRUILUCLNGF-UHFFFAOYSA-N	0	0	174.385	3.150	10	0		AGAERN
Cl/C=C/CSCc1ccncc1	1473094999	1224481901	/nfs/dbraw/zinc/48/19/01/1224481901.db2.gz	NCNYJBPVDMSGOF-DAFODLJHSA-N	0	0	199.706	3.067	10	0		AGAERN
Cl/C=C\CSCc1ccncc1	1473095000	1224481991	/nfs/dbraw/zinc/48/19/91/1224481991.db2.gz	NCNYJBPVDMSGOF-RJRFIUFISA-N	0	0	199.706	3.067	10	0		AGAERN
CCCCCn1ncc(Cl)c1C	388455854	538432928	/nfs/dbraw/zinc/43/29/28/538432928.db2.gz	BVAQTKRFERRXDN-UHFFFAOYSA-N	0	0	186.686	3.035	10	0		AGAERN
CCC[C@H](C)N[C@@H](CC)C(F)(F)F	388577421	538433505	/nfs/dbraw/zinc/43/35/05/538433505.db2.gz	CDVDFBTWTMKPJC-YUMQZZPRSA-N	0	0	197.244	3.106	10	0		AGAERN
Cc1ccc(CSCC(C)C)o1	1615012390	1224502008	/nfs/dbraw/zinc/50/20/08/1224502008.db2.gz	WZZHCROSVRQLST-UHFFFAOYSA-N	0	0	184.304	3.477	10	0		AGAERN
COCCSC[C@H](C)C(C)(C)C	1640949491	1224508850	/nfs/dbraw/zinc/50/88/50/1224508850.db2.gz	BGLZKJLYGRBMAJ-VIFPVBQESA-N	0	0	190.352	3.048	10	0		AGAERN
COCCSC[C@@H](C)C(C)(C)C	1640949490	1224509324	/nfs/dbraw/zinc/50/93/24/1224509324.db2.gz	BGLZKJLYGRBMAJ-SECBINFHSA-N	0	0	190.352	3.048	10	0		AGAERN
CCCSCc1ccc(C)o1	1644263691	1224511119	/nfs/dbraw/zinc/51/11/19/1224511119.db2.gz	QIRKHPFBNYKERP-UHFFFAOYSA-N	0	0	170.277	3.231	10	0		AGAERN
CCSCC(C)(C)C(C)C	1644229922	1224511334	/nfs/dbraw/zinc/51/13/34/1224511334.db2.gz	LPHGPMWGBASTAB-UHFFFAOYSA-N	0	0	160.326	3.422	10	0		AGAERN
CCON(CC)CCCC1CCCC1	1644211063	1224511479	/nfs/dbraw/zinc/51/14/79/1224511479.db2.gz	ZLHSFKVNZDBJSZ-UHFFFAOYSA-N	0	0	199.338	3.230	10	0		AGAERN
C=Cc1ccc(Cl)cc1C(C)=O	1772769028	1224518508	/nfs/dbraw/zinc/51/85/08/1224518508.db2.gz	HTFCVSRKHPDFIO-UHFFFAOYSA-N	0	0	180.634	3.186	10	0		AGAERN
Cc1oc(C2CCCC2)cc1C=O	675054752	538448661	/nfs/dbraw/zinc/44/86/61/538448661.db2.gz	PFEYWZKMLHKJBO-UHFFFAOYSA-N	0	0	178.231	3.058	10	0		AGAERN
Cc1oc(C2CCCCC2)cc1C=O	675055805	538448680	/nfs/dbraw/zinc/44/86/80/538448680.db2.gz	YKLJOYRLGBIFPQ-UHFFFAOYSA-N	0	0	192.258	3.448	10	0		AGAERN
c1cc(-c2nc(C3CC3)cs2)co1	157121995	526412525	/nfs/dbraw/zinc/41/25/25/526412525.db2.gz	ZABIGNBETWTNKY-UHFFFAOYSA-N	0	0	191.255	3.281	10	0		AGAERN
c1coc(-c2nc(C3CC3)cs2)c1	157119492	526560695	/nfs/dbraw/zinc/56/06/95/526560695.db2.gz	DUUSTHULSPXGAZ-UHFFFAOYSA-N	0	0	191.255	3.281	10	0		AGAERN
ON1c2ccccc2Nc2ccccc21	21983955	527643527	/nfs/dbraw/zinc/64/35/27/527643527.db2.gz	RXBBSMATINFBLD-UHFFFAOYSA-N	0	0	198.225	3.271	10	0		AGAERN