smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CSc1ccc(CN[C@H](C)c2cccc(C)c2)cc1	160139103	DZKJPPUOCDAQOJ-CQSZACIVSA-N	271.429	4.568	70	10	CJIE	
FC(F)Oc1cccc(N[C@@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c1	217746614	YOHVWIOENUQIDQ-BVEJOUGXSA-N	293.357	4.525	70	10	CJIE	
Cc1ccc([C@]2(N)C[C@H](C)CC[C@H]2C(C)C)cc1C	217883495	UBRLYWUAELBXCW-JEBQAFNWSA-N	259.437	4.550	70	10	CJIE	
C[C@H]1CCC[C@H]([C@@H](O)c2cccc(Cl)c2Cl)C1	217912103	LLAGANRBUKZQGH-PKFCDNJMSA-N	273.203	4.853	70	10	CJIE	
CC(C)COc1ccc([C@@H](C)N[C@H]2CCC[C@@H]2C)cc1	218209155	GKDNQVLODRFCQL-DAYGRLMNSA-N	275.436	4.561	70	10	CJIE	
CC(=C[B-](F)(F)F)c1cc(Cl)sc1Cl	1912966514	JSBJRGVIDSWTOZ-UHFFFAOYSA-N	259.896	4.845	70	10	CJIE	
CC[C@@H](C)CNc1c(C)cc(C)cc1Br	159717484	VNRHDJXHZWIFBU-SECBINFHSA-N	270.214	4.524	70	10	CJIE	
CN[C@@H](CC1CCCCC1)c1cccc(OC(C)C)c1	161030308	BSZRVXHPLMNVSR-SFHVURJKSA-N	275.436	4.705	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)c1cc(C)c(C)cc1C	161287876	LVEFITHBZIPVQE-SFHVURJKSA-N	257.421	4.763	70	10	CJIE	
Cc1c(Cl)nc(C2CC2)nc1N[C@@H]1CC[C@H](C)[C@@H](C)C1	217562200	JGRDRDWSYHHABO-OUJBWJOFSA-N	293.842	4.552	70	10	CJIE	
Cc1cc(OCCCC[C@H]2C[C@@H]2C)c(C)c([B-](F)(F)F)c1	2280466370	OWNFVIRJTPLQSP-JSGCOSHPSA-N	299.165	4.563	70	10	CJIE	
CC(C)=C(COCCCC[C@@H]1C[C@@H]1C)[B-](F)(F)F	2301966716	DYGIELJSFHTINK-NWDGAFQWSA-N	263.132	4.552	70	10	CJIE	
CC[C@H](C)C[C@H](CC)N[C@H](C)c1ccc(OC)cc1	160088722	PAVACWHXCDENPJ-LZWOXQAQSA-N	263.425	4.561	70	10	CJIE	
Cc1ccc(-c2c(-c3cccc(C)c3Cl)noc2N)cc1	160366738	VJJIRZGKBKPXOK-UHFFFAOYSA-N	298.773	4.861	70	10	CJIE	
CO[C@]1(c2nc(C)c(C(C)C)c(Cl)n2)CCC[C@H](C)C1	160410552	ZKWUEMANKBCAPH-MEDUHNTESA-N	296.842	4.614	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)c1cc(F)ccc1OC	161383296	UKYHIKLMGMLZJI-QGZVFWFLSA-N	291.410	4.766	70	10	CJIE	
CC(C)NCc1oc2c(Cl)cc(F)cc2c1C(C)C	161441805	OBBXHSWEHMNQBY-UHFFFAOYSA-N	283.774	4.847	70	10	CJIE	
CC[C@@H]1CCC[C@H]([C@@H](NN)c2ccccc2C(C)(C)C)C1	217322496	GLJFFDUPDUSDBU-RVKKMQEKSA-N	288.479	4.705	70	10	CJIE	
CCCN[C@@H](c1cccc(F)c1)[C@@H]1CCC[C@@H](C)C1	218031729	FDRNEUSBWQLGSV-CKEIUWERSA-N	263.400	4.693	70	10	CJIE	
CCCN[C@@H]1CCCc2nc([C@@H]3CCC[C@@H](C)C3)sc21	218076901	ZUXRWXAGEZGHOO-MGPQQGTHSA-N	292.492	4.814	70	10	CJIE	
CCOc1ccc(N[C@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c(C)c1	218110860	HZGUVYUNUFDBMR-CFLZNVQHSA-N	285.431	4.630	70	10	CJIE	
Cc1cc2c(n1[C@@H]1CCC[C@H](C)[C@H]1C)CC(C)(C)C[C@@H]2N	218615284	KJGXKHBHNGJQFS-JSQNDZKTSA-N	288.479	4.766	70	10	CJIE	
CCCCCC[C@@H](C)O[C@]1(CNCC)CCC[C@@H](C)C1	218757221	QDNQCPTZRFQTGD-KZNAEPCWSA-N	283.500	4.920	70	10	CJIE	
Cc1c(/C=C/[B-](F)(F)F)ccc(Cl)c1Cl	1889192684	IMRWLOWRBMDNGV-SNAWJCMRSA-N	253.867	4.702	70	10	CJIE	
C=C(CCN(Cc1ccccc1)CC1CCC1)[B-](F)(F)F	1954695939	CHCSQERWGJAXMZ-UHFFFAOYSA-N	296.165	4.622	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1OC[C@@H]1CCC=CCCC1	2163721579	QVNOCXBOAPSXAK-CQSZACIVSA-N	297.149	4.565	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1OCc1cccc([B-](F)(F)F)c1C	2283566647	TVHKYHRBWNXJRW-BBRMVZONSA-N	299.165	4.535	70	10	CJIE	
CCCNCc1sc(CS[C@H](C)CC)nc1C1CC1	159513377	PKMKPCJSZUCWKU-LLVKDONJSA-N	298.521	4.552	70	10	CJIE	
CC(C)(C)NCCC(C)(C)[C@@H]1C[C@@H]1c1ccccc1	159659529	AHTZYLZFZXWLHN-HZPDHXFCSA-N	259.437	4.595	70	10	CJIE	
Cc1ccc2c(c1)[C@H](Nc1ccc(OC(F)F)cc1)CC2	160762178	JFSXXKMKQOQEDI-MRXNPFEDSA-N	289.325	4.696	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc([C@@H](N)CC3CC3)ccc21	161484361	WSVRVPJBDSDCLQ-KRWDZBQOSA-N	271.448	4.836	70	10	CJIE	
CCC[C@H]1CC[C@@H](N)[C@@H](Cc2ccc(C(F)(F)F)cc2)C1	217686567	SDWJMMLBROYJAE-JGGQBBKZSA-N	299.380	4.792	70	10	CJIE	
CCCN[C@@H]1CC[C@H](CCC)C[C@@H]1Cc1ccc(F)cc1	217738582	COCBFGAWEBQTHX-KVSKMBFKSA-N	291.454	4.953	70	10	CJIE	
C[C@H]1CCC[C@@H]([C@@H](N)Cc2ccc(Cl)c(Cl)c2)C1	217950854	HWJQGOYPWZERRV-NVBFEUDRSA-N	286.246	4.690	70	10	CJIE	
CCN[C@@H]1CC[C@@H](C(C)(C)CC)C[C@@H]1N(C)[C@@H](C)C(C)C	218639111	WAHSFUFBAINUSU-MLHJIOFPSA-N	296.543	4.546	70	10	CJIE	
CC[C@@H]1CC[C@H](CN)[C@@H](Cc2c(C)cc(C)cc2C)C1	218675899	WYSFNARRKJZZOW-KZNAEPCWSA-N	273.464	4.556	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](c2ccc(OC(C)C)cc2)C1	218732800	KEPPQOFWGMZURO-HHXXYDBFSA-N	289.463	4.733	70	10	CJIE	
F[B-](F)(F)/C=C\c1ccc(Cl)c(Br)c1	382591663	JFNMBCVSRXBGEX-ARJAWSKDSA-N	284.291	4.502	70	10	CJIE	
C=C(CCN(CCC(C)C)C1CCCC1)[B-](F)(F)F	2044981887	LTCJQVKTVYSPKS-UHFFFAOYSA-N	276.175	4.610	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OC1C[C@H](C)C[C@@H](C)C1	2197461133	IKKMRZFIALAKOZ-VXGBXAGGSA-N	299.165	4.507	70	10	CJIE	
CCCc1cccc([C@@H](O)[C@H](CC)c2ccccc2)c1	159816234	SUSQRLLYZGDKTP-RTBURBONSA-N	268.400	4.866	70	10	CJIE	
CCSCC[C@H](C)Nc1ccnc2cc(Cl)ccc12	160333051	RTAGUEUGYONONP-NSHDSACASA-N	294.851	4.832	70	10	CJIE	
CC(C)(C)CC[C@@H](O)c1ccc(Cl)c2cccnc12	160420620	ATCCZKPQPRSYFI-CQSZACIVSA-N	277.795	4.748	70	10	CJIE	
C[C@@H]1CCC[C@@H](CCNCc2cc(Cl)ccc2F)C1	160829063	MPJBIEMRKRKCNH-OLZOCXBDSA-N	283.818	4.785	70	10	CJIE	
CCCc1c(CNC2CC2)oc2c(Cl)c(Cl)ccc12	161169482	IXCMSRIKURKCIE-UHFFFAOYSA-N	298.213	4.944	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc([C@@H](N)c3ccco3)ccc21	161485079	NQGLYKJDPKXLAI-QGZVFWFLSA-N	283.415	4.677	70	10	CJIE	
CC[C@@H]1CC[C@@H](N)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	217645214	AFXAZMWLNGJJBU-QGPMSJSTSA-N	273.464	4.680	70	10	CJIE	
CCCN[C@H](c1ccc([C@@H](C)CC)cc1)[C@H]1CCCCO1	217853724	FLKGRGJUNFSDHV-KFKAGJAMSA-N	289.463	4.810	70	10	CJIE	
O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)[C@@H]1CCCc2ccccc21	218018501	CMYUOQDZDQJUPZ-AAJLLMFJSA-N	268.400	4.502	70	10	CJIE	
FC(F)(F)c1ccc(N[C@H]2C[C@H]3CC=C[C@@H]23)c(Cl)c1	218168128	BCRATOBEMMKKIG-JQEORGNBSA-N	287.712	4.735	70	10	CJIE	
CC1(C)CCC(CN2CCC([B-](F)(F)F)CC2)CC1	2223253702	OHDUHOGDSDELKI-UHFFFAOYSA-N	276.175	4.516	70	10	CJIE	
CCCC[C@@H](NCCCC1CC1)c1ccc(F)cc1	161451213	JHIQXPSTUVYXDV-QGZVFWFLSA-N	263.400	4.837	70	10	CJIE	
CC[C@@H]1CCc2nc(C[C@@H](C)CC(C)(C)C)[nH]c2C1	216977163	WGSITFKTPUMARO-CHWSQXEVSA-N	262.441	4.539	70	10	CJIE	
CN[C@H]1CC[C@@H](C(C)C)C[C@@H]1CCCOc1ccccc1	217785525	SKTYLRXCPGQFJS-AOIWGVFYSA-N	289.463	4.506	70	10	CJIE	
CCCCCc1ccc(N[C@H]2C[C@H]3CC=C[C@@H]23)cc1	217936205	VIDIXLFMCPWIOH-NXHRZFHOSA-N	255.405	4.796	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OCCCC[C@@H]1C[C@@H]1C	2280465941	LQVGKMIWVJYHEW-GXTWGEPZSA-N	299.165	4.509	70	10	CJIE	
CC(C)=C(CN(C)Cc1csc(C)c1C)[B-](F)(F)F	2317995439	QGVUUBGMRLUCIG-UHFFFAOYSA-N	290.183	4.520	70	10	CJIE	
C[C@H]1CC[C@H](C)[C@H](N[C@H](C)c2ccc(Cl)cc2)C1	159950973	XCPSWTOBPGLRGJ-BCUIYNNISA-N	265.828	4.815	70	10	CJIE	
Clc1cc(Cl)c2c(C3CC3)c(CNC3CC3)oc2c1	161432600	NVIUHODQFVILKG-UHFFFAOYSA-N	296.197	4.869	70	10	CJIE	
C[C@@H]1CCC[C@H](CCN2CCC([B-](F)(F)F)CC2)C1	2253939375	RZXGIYDFKXRYCT-CHWSQXEVSA-N	276.175	4.516	70	10	CJIE	
CCCNCc1sc([C@H]2CCC[C@@H](C)C2)nc1C1CC1	159503333	IHHGARDVVQJYKZ-OCCSQVGLSA-N	292.492	4.814	70	10	CJIE	
CCCCC[C@H](NC)[C@H](c1ccccc1)[C@@H](C)CC	159706910	GSCSOEZFOPWYSD-SZMVWBNQSA-N	261.453	4.985	70	10	CJIE	
CSc1ccc([C@@H](O)c2ccccc2C2CCC2)cc1	159998747	IJDYUEBPVXKEJK-GOSISDBHSA-N	284.424	4.758	70	10	CJIE	
CC(C)(C)NC[C@H](Cc1cc(F)ccc1F)C1CCCC1	160000682	XOFCKYYIIVSLAP-HNNXBMFYSA-N	295.417	4.702	70	10	CJIE	
CCN[C@@H](CC1CCCCC1)c1ccc(Cl)cc1OC	161008459	RINOZSZNLLXFSF-INIZCTEOSA-N	295.854	4.970	70	10	CJIE	
CCCN[C@@H](Cc1ccc(C(C)(C)C)cc1)[C@H](C)C1CC1	161299447	WHYXGNXCEMSNDZ-BEFAXECRSA-N	287.491	4.941	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1N[C@@H]1CCC[C@@H](C)C1	216626051	HZFQBBGNKXUZEF-JJTUDDRGSA-N	251.458	4.616	70	10	CJIE	
CCCOc1ccc(N[C@@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1	218184490	LPADGFKAGZJOFJ-RKWNZTQVSA-N	285.431	4.712	70	10	CJIE	
CCC[C@H]1CC[C@H](O)[C@@H](Cc2c(F)cccc2Cl)C1	218295290	YGVSEOVMFQJCAI-OZVIIMIRSA-N	284.802	4.599	70	10	CJIE	
CCC[C@@H]1CC[C@@H](O)[C@@H](Cc2c(C)cc(C)cc2C)C1	218297503	SEDRWMIBGHJKOR-ZHALLVOQSA-N	274.448	4.732	70	10	CJIE	
Cc1cccc(C(=O)CO[C@H]2C[C@H](C)CC[C@H]2C(C)C)c1	218396669	GZNNUPSEVMRLLA-AYBZRNKSSA-N	288.431	4.655	70	10	CJIE	
Cc1ccc(OCC[C@H]2CCC[C@H](C)C2)c([B-](F)(F)F)c1	2279817366	QATBPVSYTXDDOL-GXTWGEPZSA-N	299.165	4.645	70	10	CJIE	
CCCC1(CN(C)CC(=C(C)C)[B-](F)(F)F)CCC1	2317854301	MIJVYKYZQCFXCC-UHFFFAOYSA-N	276.175	4.612	70	10	CJIE	
Cn1cc(C(=O)CCC2CCCC2)c2ccc(Cl)cc21	159617162	FJCYUXJJYZBIHA-UHFFFAOYSA-N	289.806	4.985	70	10	CJIE	
CN[C@@H](c1cc(F)c(C)cc1F)c1cccc(C)c1Cl	160321582	GZFXAKPHFWQTOE-MRXNPFEDSA-N	295.760	4.544	70	10	CJIE	
CO[C@H](C)[C@H](C)Nc1ccc(C(C)C)cc1C(C)C	161181546	MRWPYNKJXLFCEM-UONOGXRCSA-N	263.425	4.769	70	10	CJIE	
CCC[C@H](C)[C@H](Cc1ccc(C(C)(C)C)cc1)NC	161244929	IDNXARBPUXSFKA-YOEHRIQHSA-N	261.453	4.551	70	10	CJIE	
Cc1cc(C)c2oc(CNC3CC3)c(CC(C)C)c2c1	161388109	CMCKSVCGYACSJJ-UHFFFAOYSA-N	271.404	4.500	70	10	CJIE	
CCCCCCCCOc1ccc([B-](F)(F)F)cc1C	203327890	XDQFJGDNMHEOQJ-UHFFFAOYSA-N	287.154	4.789	70	10	CJIE	
CCN[C@H]1CC[C@H](CC)C[C@@H]1Cc1c(F)cccc1Cl	217666021	AITGSVIAHQKNTP-AHIWAGSCSA-N	297.845	4.826	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1N[C@@H](C)c1cccc(O)c1	217885385	IRIVLYCDTSYVHX-USJZOSNVSA-N	275.436	4.504	70	10	CJIE	
Cc1cc(C)c(CN[C@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1C	218210564	QJDPUBQDSINPAG-JUSBFGHESA-N	283.459	4.526	70	10	CJIE	
CC[C@H]1CCCC[C@H]1O[C@H](c1cccc(Cl)c1)[C@@H](C)N	218243480	WTWHCHVRCZWDPJ-GFOFROLCSA-N	295.854	4.714	70	10	CJIE	
O=C(N/C=C/C1CCCC1)Nc1ccc(Cl)c(Cl)c1	218582179	YLIWHDMRJASTTD-BQYQJAHWSA-N	299.201	4.819	70	10	CJIE	
CC[C@@H]1CC[C@H](CN)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	218694094	HWGMPITVACKKKX-KBAYOESNSA-N	287.491	4.928	70	10	CJIE	
CCCCCCCN(C)CC(=C(C)C)[B-](F)(F)F	2301962964	XOKBJOBSESDRLM-UHFFFAOYSA-N	264.164	4.612	70	10	CJIE	
CN[C@H](Cc1ccc(Cl)s1)c1c(C)cc(C)cc1C	160844953	ANYQVGHSIYOQSO-CQSZACIVSA-N	293.863	4.830	70	10	CJIE	
CC(C)(C)c1ccccc1[C@H](N)Cc1ccc(Cl)s1	160974947	PGUZCYFQISXBJI-CQSZACIVSA-N	293.863	4.942	70	10	CJIE	
CCOC1(C(=O)c2ccc(F)cc2C)CCC(C)(C)CC1	161260768	QKUXKVJKXDJOPM-UHFFFAOYSA-N	292.394	4.692	70	10	CJIE	
CCCNCc1oc2c(C)ccc(Cl)c2c1C1CC1	161494288	HFYIYXDJUKCQOL-UHFFFAOYSA-N	277.795	4.772	70	10	CJIE	
Cc1cc(N(C)C)ccc1N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218117102	BOVBZMURZJHHQC-LSBZLQRGSA-N	286.463	4.688	70	10	CJIE	
CCCCN(CC)[C@H](C)[C@@H](NCCC)c1ccc(C)cc1	218609115	FQENQPZPUHXBFU-IEBWSBKVSA-N	290.495	4.546	70	10	CJIE	
Cc1cc(OCCCCCC(C)C)ccc1[B-](F)(F)F	383196250	XVOANWPCFAASNJ-UHFFFAOYSA-N	287.154	4.645	70	10	CJIE	
F[B-](F)(F)C1CCN(C[C@H]2C[C@@H]2C2CCCCC2)CC1	2231065926	OGYBFNDGAMPSPY-UKRRQHHQSA-N	288.186	4.516	70	10	CJIE	
CCCCCCCCCC(=O)N1CC[C@H]([B-](F)(F)F)C1	2342486441	VMPYGKOZGKZDLM-ZDUSSCGKSA-N	292.174	4.577	70	10	CJIE	
CCCN[C@H](CC[C@H]1C[C@@H]1c1ccccc1)C(C)(C)C	159530437	UVWZHZORMKJZGS-RCCFBDPRSA-N	273.464	4.985	70	10	CJIE	
O[C@@H](CCCc1ccccc1)c1cc(F)cc(Cl)c1	161206579	CSYVDPRRYUPIMS-INIZCTEOSA-N	278.754	4.535	70	10	CJIE	
CCOC1(C(=O)[C@H]2CCC[C@@H](C)C2)CCC(C)(C)CC1	161253554	UHMDMXABGAZHHC-CABCVRRESA-N	280.452	4.757	70	10	CJIE	
CCC(CC)CN(CC)[C@H](c1ccc(C)cc1)[C@@H](N)CC	217811938	YWYINHVARHRGMS-RBUKOAKNSA-N	290.495	4.532	70	10	CJIE	
CN[C@@H](Cc1cccc2ccccc12)[C@@H]1CCC[C@@H](C)C1	217975391	VJHPBYKNQRIDNV-ZTNFWEORSA-N	281.443	4.797	70	10	CJIE	
Cc1ccccc1[C@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)[C@H](C)N	218265494	FCDMHMFSLBOYOS-NOVWEMISSA-N	289.463	4.615	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCCN(Cc2ccc3sccc3c2)C1	2133918983	HWPYRIBUJWTVEZ-CYBMUJFWSA-N	298.162	4.715	70	10	CJIE	
CC(C)=C(COC[C@@H]1C[C@@H]1C1CCCC1)[B-](F)(F)F	2317850780	CLTFUYJWJFLELF-QWHCGFSZSA-N	275.143	4.552	70	10	CJIE	
CCCNC[C@@H](CCCc1ccccc1)C1CCCC1	159948529	PZAGCLBNKSIAHN-LJQANCHMSA-N	273.464	4.815	70	10	CJIE	
Cc1cc(C)c([C@@H](N)C2C3CC4CC(C3)CC2C4)c(C)c1	160123999	PNUCLPRJEWJBES-AVHGTGSPSA-N	283.459	4.684	70	10	CJIE	
CCN[C@@H](c1c(C)ccc2ccccc12)C1C[C@@H]2C[C@@H]2C1	160918639	UXKVXMYHBOJEQY-YUBNGQEKSA-N	279.427	4.845	70	10	CJIE	
CNCc1oc2c(C(C)(C)C)cc(OC)cc2c1C(C)C	161139216	PVCJZNJZCNWLLX-UHFFFAOYSA-N	289.419	4.582	70	10	CJIE	
CCOC1(C(=O)c2ccc(Cl)cc2F)CCCCCC1	161338729	WJZQNDULOOOVBE-UHFFFAOYSA-N	298.785	4.791	70	10	CJIE	
CCN[C@H](c1ccc(F)c(C)c1)[C@H]1CCC[C@@H](C)C1	217981183	KPDCVRRMBZUDDN-IFIJOSMWSA-N	263.400	4.611	70	10	CJIE	
CC[C@H]1CCCC[C@H]1O[C@H](c1ccccc1F)[C@H](N)CC	218246238	FRQYLTZOGKKIAR-OKDNKWQNSA-N	293.426	4.590	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@H](O)[C@@H](CCCOc2ccccc2)C1	218306146	BMLLSJVWXDKDAF-BQFCYCMXSA-N	290.447	4.669	70	10	CJIE	
CC(C)NC[C@@H]1CC[C@@H](C)C[C@@H]1c1cc(F)ccc1Cl	218521290	NIISVPXZCVCRNK-IPYPFGDCSA-N	297.845	4.997	70	10	CJIE	
CN[C@@H]1CCCCCCCCCC[C@@H]1N(C)[C@@H](C)C(C)C	218638404	RADFICIOXRBZPJ-OTWHNJEPSA-N	296.543	4.834	70	10	CJIE	
C=C(COc1ccc(C(C)(C)CC)cc1)[B-](F)(F)F	232831519	MDEMXOVVGBNTMD-UHFFFAOYSA-N	271.111	4.696	70	10	CJIE	
CC(C)=CCCOc1ccc2cc([B-](F)(F)F)ccc2c1	697874982	QGPBBOXHQDQAPY-UHFFFAOYSA-N	293.117	4.629	70	10	CJIE	
Cc1cccc([C@H](O)c2cc3cc(F)ccc3o2)c1Cl	159416435	HDCRXRNMXIZHMH-INIZCTEOSA-N	290.721	4.615	70	10	CJIE	
CCCC[C@H](C)Nc1ccc(F)c(Br)c1	159770670	PPDSEMBVHFXYCP-VIFPVBQESA-N	274.177	4.579	70	10	CJIE	
CCCN[C@H](Cc1cccs1)[C@H](CC)c1ccccc1	160648854	QQPZLSZMAPVBHB-QZTJIDSGSA-N	287.472	4.853	70	10	CJIE	
Cc1ccc2c(c1)[C@H](Nc1cccc(OC(F)F)c1)CC2	160787152	VAQHWKPWRHFDQR-MRXNPFEDSA-N	289.325	4.696	70	10	CJIE	
Cc1ccc2c(c1)[C@H](Nc1ccccc1OC(C)C)CC2	160800661	IUHJFGJWQOJRBX-QGZVFWFLSA-N	281.399	4.882	70	10	CJIE	
CCOc1ccc(NCc2ccc(Cl)cc2F)cc1F	160884472	WUTWCRFLPZKUPN-UHFFFAOYSA-N	297.732	4.629	70	10	CJIE	
Cc1ccc2ccccc2c1-c1ccc([C@H](C)N)cc1	160958595	KGQMIIQYWPFPMW-AWEZNQCLSA-N	261.368	4.835	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](O)c1c(F)cccc1F	160971730	SMNUGCCXOVWPKA-SFHVURJKSA-N	284.305	4.508	70	10	CJIE	
CCc1ccc(C[C@H](NC)[C@H](CC)c2ccccc2)s1	161155307	ZNYDGRBFTVQVGB-MSOLQXFVSA-N	287.472	4.635	70	10	CJIE	
CC[C@@H]1CCC[C@@H](C(=O)C2(OC)CCC(C)(C)CC2)C1	161293912	SVEMDNUALBEMSI-HUUCEWRRSA-N	280.452	4.757	70	10	CJIE	
CCC[C@H]1NC[C@H](C)[C@@H](c2ccccc2)c2ccccc21	217947602	LGXOJTXYQNNAHM-BEVDRBHNSA-N	279.427	4.899	70	10	CJIE	
Cc1cccc(C(C)C)c1NC(=O)N/C=C/C(C)(C)C	218540485	DRVLJVMVKZZDQH-ZHACJKMWSA-N	274.408	4.800	70	10	CJIE	
CC[C@@H](C)c1ccccc1NC(=O)N/C=C/C(C)(C)C	218573772	JEAJSSLIUVXOND-XZHRJIJLSA-N	274.408	4.881	70	10	CJIE	
CCCN[C@@H]1CC[C@H](CCC)C[C@@H]1Oc1ccc(F)cc1	218775033	QHOAKELUEQRHJT-QGTPRVQTSA-N	293.426	4.542	70	10	CJIE	
Cc1sc(C)c([C@@H]2C[C@H]2[B-](F)(F)F)c1Br	1885275555	VVWUQHKHVVYDAI-RNFRBKRXSA-N	297.956	4.832	70	10	CJIE	
Cc1ccc([C@@H]2C[C@@H]2[B-](F)(F)F)c(C)c1Br	1975304557	SWXYEBFTNFVONW-UWVGGRQHSA-N	291.927	4.771	70	10	CJIE	
CC(C)=C(CN1C[C@H](C)C[C@H]2CCCC[C@H]21)[B-](F)(F)F	2340138813	KQEFKFFBMMPJSS-UMVBOHGHSA-N	288.186	4.610	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)[C@@H]1Cc2ccccc21	160808099	FJCBEASWRYRJCH-GOSISDBHSA-N	272.347	4.671	70	10	CJIE	
Cc1cc(C)c(C(=O)C[C@H](C)c2ccccc2)c(C)c1	216687366	ALFWNSQDJZRXJX-AWEZNQCLSA-N	266.384	4.988	70	10	CJIE	
C[C@H]1C[C@H](C)CC[C@H]1Nc1cc(Cl)nc(C(C)(C)C)n1	217459607	NADLUFVCBWOAND-GRYCIOLGSA-N	295.858	4.664	70	10	CJIE	
CC[C@@H](C)c1ccccc1OCCN[C@@H]1CCC[C@@H](C)C1	217908441	YRTWLUKICYTXEU-BRWVUGGUSA-N	289.463	4.747	70	10	CJIE	
CCCCCC[C@@H](C)O[C@H]1C[C@@H](CCC)CC[C@@H]1O	218551518	YJXKRZZTLMEJDQ-QZWWFDLISA-N	270.457	4.692	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](c2ccc(OC(C)C)cc2)C1	218732923	KEPPQOFWGMZURO-SZVBFZGTSA-N	289.463	4.733	70	10	CJIE	
CC(C)=C(COCC1(C)CCCCC1)[B-](F)(F)F	2301963923	GLZCJYMPOZBWFT-UHFFFAOYSA-N	263.132	4.696	70	10	CJIE	
C[C@@H]1CC[C@H](CNC2CC2)[C@H]([C@@H]2C[C@@H]2c2ccccc2)C1	159674094	GOWMONFQJFUPGV-NPSVCUHKSA-N	283.459	4.595	70	10	CJIE	
N[C@H](c1cccc(Cl)c1)c1cc2cccc(Cl)c2o1	159909743	VHLWNRRKUHARIJ-CQSZACIVSA-N	292.165	4.788	70	10	CJIE	
CCN[C@H](CC)c1ccccc1N1CC[C@H](C(C)(C)C)C1	160325188	GNFCFNAKQPAGSP-DOTOQJQBSA-N	288.479	4.620	70	10	CJIE	
CCN[C@H](Cc1ccc(F)cc1Cl)c1ccc(CC)o1	160575895	WJQAJSQXKXVYBM-OAHLLOKOSA-N	295.785	4.528	70	10	CJIE	
Cc1cc(F)ccc1Oc1ccc(CNC(C)(C)C)cc1	160606650	FGLYEMRFAZNEQP-UHFFFAOYSA-N	287.378	4.815	70	10	CJIE	
CCCN[C@@H](CC1CCCCC1)c1sccc1OC	161016702	YIKIXWPPUYFTTM-AWEZNQCLSA-N	281.465	4.768	70	10	CJIE	
CC[C@H](C)c1cccc2c(C3CC3)c(CNC)oc12	161378063	JFVHCVTYZXZZRT-NSHDSACASA-N	257.377	4.543	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)Cc1cccc(F)c1F	161440557	UEZKVKVJAYGZEC-MRXNPFEDSA-N	293.401	4.766	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc([C@@H](O)C(F)(F)F)ccc21	161501543	SAPJKPOYFJTTOE-CYBMUJFWSA-N	286.337	4.631	70	10	CJIE	
CC[C@@H]1CCC[C@H]([C@@H](NN)c2cc3ccccc3s2)C1	217322434	CGMFBDMGMBNOBR-HACGYAERSA-N	288.460	4.622	70	10	CJIE	
CC[C@@H](N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)c1ccc(O)cc1	217869324	ZXZYQHXGMQVTRO-JEDBISTDSA-N	289.463	4.894	70	10	CJIE	
CCN[C@@H](Cc1ccc(Cl)s1)[C@H]1CCC[C@@H](C)C1	217987197	LAVPKYXQYULGOC-DYEKYZERSA-N	285.884	4.748	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1NCCC1CCCC1	218087299	JWOVKQRYPSAHJH-UAGQMJEPSA-N	251.458	4.617	70	10	CJIE	
O=C(N/C=C/C1CCCC1)Nc1ccc(C(F)(F)F)cc1	218615258	CJMDSZPZOCDTQV-MDZDMXLPSA-N	298.308	4.531	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1OCC1C[C@H](C)C[C@@H](C)C1	2149171207	SXOBOMRGLIDYHV-VXGBXAGGSA-N	299.165	4.501	70	10	CJIE	
CC(C)=C(CN1CCC[C@H]1c1cccs1)[B-](F)(F)F	2317846781	CQUXGCSRVQGSDB-LBPRGKRZSA-N	288.167	4.608	70	10	CJIE	
CC(C)(C)[C@H]1CCCC[C@]1(O)c1cccc2[nH]ccc12	159433502	LQVRMEZLWWPTRJ-AEFFLSMTSA-N	271.404	4.592	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1ccc(F)cc1F	161357496	UWAWXIRNTDNTFY-INIZCTEOSA-N	265.347	4.506	70	10	CJIE	
CCN[C@@H]1CC[C@@H](CC)C[C@@H]1Cc1ccc(CC)s1	217673801	YMWKIKOQGMWBPK-CKEIUWERSA-N	279.493	4.657	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@H](c1ccccc1)[C@@H](C)N	218251488	YZMVYJJPWVYOKF-LIEJCIORSA-N	289.463	4.552	70	10	CJIE	
CC[C@H]1CCCC[C@H]1OC[C@@H](O)c1ccc(C(C)C)cc1	218548286	JLWHPPDZKRFFGA-KFKAGJAMSA-N	290.447	4.829	70	10	CJIE	
C=C(CO[C@](C)(CC)CCCC(C)C)[B-](F)(F)F	2213734795	QMOKYSVZKOVZAS-CYBMUJFWSA-N	265.148	4.941	70	10	CJIE	
CC(C)=C(COC[C@@H]1C[C@H]2CCC[C@H]1CC2)[B-](F)(F)F	2340326562	UURZWYYCGOOVQY-IHRRRGAJSA-N	289.170	4.942	70	10	CJIE	
Cc1ccc2[nH]cc(C(=O)c3cccc(C)c3Cl)c2c1	160270617	FHHTZFFYSXWAJU-UHFFFAOYSA-N	283.758	4.669	70	10	CJIE	
Cc1cc(F)ccc1Oc1ccccc1CNCC(C)C	160605401	VJCQWJDOTZYRHA-UHFFFAOYSA-N	287.378	4.672	70	10	CJIE	
COc1ccc(Cl)c(N[C@H]2CCc3ccc(C)cc32)c1	160819017	UWYKRURZVUMQID-INIZCTEOSA-N	287.790	4.756	70	10	CJIE	
CC(C)(C)NC[C@@H](C[C@@H]1CCC(C)(C)O1)c1ccccc1	160924919	JAOAJAQFHUSHKH-SJORKVTESA-N	289.463	4.506	70	10	CJIE	
CCc1ccc(C[C@H](NC)[C@@H](CC)c2ccccc2)s1	161155068	ZNYDGRBFTVQVGB-ROUUACIJSA-N	287.472	4.635	70	10	CJIE	
CC(C)(C)c1ccc(C[C@@H](N)CC2=CCCCC2)cc1	161203106	BRNVKUJSOSBSCL-SFHVURJKSA-N	271.448	4.744	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)C)C[C@@H]1Cc1c(F)cccc1Cl	217787967	JUQFCRLXOFAFNI-PBFPGSCMSA-N	297.845	4.682	70	10	CJIE	
CC[C@H]1CCCC[C@H]1N[C@H](CC)c1ccccc1OC	218150846	GNZVLFYZAXZJCB-USXIJHARSA-N	275.436	4.705	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](N)[C@@H](C[C@@H]2CCCc3ccccc32)C1	218526953	QIJIQJRDSUNYOZ-RMJJICAUSA-N	285.475	4.896	70	10	CJIE	
CCNC[C@@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccccc1	218754308	XUDWRYXKPRIEMF-KBAYOESNSA-N	289.463	4.569	70	10	CJIE	
F[B-](F)(F)/C=C/c1cc(Br)ccc1Cl	306398495	JRNPMNYVDUBEIZ-ONEGZZNKSA-N	284.291	4.502	70	10	CJIE	
CCCCC[C@H](NCC)C1(OC)CCC(C)(C)CC1	159902315	FMWIIUBTSZAAHT-HNNXBMFYSA-N	269.473	4.530	70	10	CJIE	
c1ccc2c([C@H]3CCNC[C@@H]3C3CCCC3)cccc2c1	160121819	XAMYMRMPDRBKMM-WOJBJXKFSA-N	279.427	4.723	70	10	CJIE	
Cc1cccc([C@@H](O)c2cccc(C3CCC3)c2)c1Cl	160204226	NNYCQHYPUSCFSQ-SFHVURJKSA-N	286.802	4.998	70	10	CJIE	
CCCN[C@H](C1=CCCCO1)c1csc2ccccc12	160293497	KKQORQWJPZAXRY-KRWDZBQOSA-N	287.428	4.636	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](N)Cc1ccc(F)cc1	160842150	YPZIQEUEPJFGAX-SFHVURJKSA-N	279.358	4.530	70	10	CJIE	
c1ccc2c(CNc3ccc4[nH]ccc4c3)coc2c1	161066737	JRTQMDBGSJTKPX-UHFFFAOYSA-N	262.312	4.526	70	10	CJIE	
CNCc1oc2c(C(C)(C)C)cccc2c1CC(C)C	161384922	SFGWGYQEVLQLOS-UHFFFAOYSA-N	273.420	4.648	70	10	CJIE	
C1CC[C@@H]2C[C@H](N[C@@H]3C[C@H]4C[C@H]3[C@@H]3CCC[C@@H]43)CC[C@@H]2C1	217643873	SVAXZDXSJJDZKL-NOVIIDPASA-N	287.491	4.760	70	10	CJIE	
CCCN[C@@H](c1ccc(C)cc1)[C@H]1CCC[C@@H](C)C1	218031566	GOEUYLURGGXMKB-NJAFHUGGSA-N	259.437	4.862	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](Cc2ccc(CC)cc2)C1	218754919	SSZXODLDLWDUFG-NZSAHSFTSA-N	273.464	4.583	70	10	CJIE	
CCC1CCC(CN(C)CC(=C(C)C)[B-](F)(F)F)CC1	2340328230	KKHWCROGWUREOT-UHFFFAOYSA-N	290.202	4.858	70	10	CJIE	
CCc1ccc([C@@H](N)c2cccc(C)c2Cl)cc1CC	160326331	HYEPRJCPKKLYRF-GOSISDBHSA-N	287.834	4.821	70	10	CJIE	
CO[C@@H](C)[C@H](C)Nc1ccc(C(C)C)cc1C(C)C	161181776	MRWPYNKJXLFCEM-KBPBESRZSA-N	263.425	4.769	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1cnc2ccccc2c1	161311974	GHGLZSFEOQDBJF-LJQANCHMSA-N	280.415	4.776	70	10	CJIE	
CCOC1(C(=O)Cc2ccc(Cl)cc2)CCCCCC1	161334339	PTIQKAUAXDBMFI-UHFFFAOYSA-N	294.822	4.581	70	10	CJIE	
CCCOc1cccc(N[C@@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c1	217622273	JSQAYJBLYUGUME-WHJMJZORSA-N	285.431	4.712	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCCNC1CCCCCC1	217891054	UADQOGYRVQNNAT-QRQLOZEOSA-N	295.511	4.776	70	10	CJIE	
CC(C)c1ccc(C[C@@]2(N)C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1	217893030	GVIUUVYVKGFDFX-CENDIDJXSA-N	283.459	4.506	70	10	CJIE	
COc1cc(C)ccc1N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218111413	GJAORLNKNPVAKA-RPVQJOFSSA-N	273.420	4.630	70	10	CJIE	
Cc1ccc([C@H](CNC(C)C)O[C@@H]2CCC[C@@H](C)C2)cc1	218762490	RXRUVEUFYIPKIK-QRQLOZEOSA-N	289.463	4.629	70	10	CJIE	
C=CCCCCCCCOc1ccc(C)cc1[B-](F)(F)F	2235532434	KNTDJHCHLVGMSA-UHFFFAOYSA-N	299.165	4.955	70	10	CJIE	
C[C@@H]1CCC[C@H](CCN2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)C1	2265062321	XJKHDAOHEIPZDB-TUVASFSCSA-N	288.186	4.516	70	10	CJIE	
CC(C)[C@](C)(CNC(C)(C)C)[C@@H]1C[C@@H]1c1ccccc1	159488981	ZIZIFAXAJTYRNG-LMMKCTJWSA-N	273.464	4.841	70	10	CJIE	
CCc1ccc(C[C@@H](CNC(C)C)C2CCCC2)cc1	159965972	ATDTZCSZOTWQAJ-IBGZPJMESA-N	273.464	4.596	70	10	CJIE	
CCN[C@@H](Cc1ccccc1)c1cc2ccc(F)cc2s1	161176574	PYIWHDGAKZMGOD-INIZCTEOSA-N	299.414	4.934	70	10	CJIE	
Cc1ccc(C[C@@H](O)c2cc3ccc(F)cc3s2)cc1	161263241	PJYSUWWRVMZPDO-OAHLLOKOSA-N	286.371	4.625	70	10	CJIE	
C1=C[C@@H]2[C@@H](C1)C[C@H]2Nc1ccc2oc3ccccc3c2c1	217942217	NBTKNMBXOQIZBC-DXCKQFNASA-N	275.351	4.963	70	10	CJIE	
CC[C@H]1CCCC[C@H]1O[C@H](c1ccccc1F)[C@@H](N)CC	218246305	FRQYLTZOGKKIAR-VIBAHUMZSA-N	293.426	4.590	70	10	CJIE	
CCC[C@@H]1CC[C@H](NCC)[C@@H](Cc2cc(F)cc(F)c2)C1	218649000	QVFJWDDHOIRZBA-SIIHOXLZSA-N	295.417	4.702	70	10	CJIE	
CC[C@H]1CCC[C@@H](Oc2cc(C)cc([B-](F)(F)F)c2C)C1	686553087	DNKHPUNVBDMZMU-UONOGXRCSA-N	299.165	4.705	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OCCC(C)(C)C1CC1	2197470258	QJMOUFRHWXEGAV-UHFFFAOYSA-N	299.165	4.509	70	10	CJIE	
O[C@H](c1ccc2c(c1)CCC2)c1cc2cccc(Cl)c2o1	159646085	LAMAFMWVVASQLA-QGZVFWFLSA-N	298.769	4.657	70	10	CJIE	
CCSCC[C@H](C)NCc1ccc(CC(C)C)cc1	159974626	FTXMORXKLJWTCR-HNNXBMFYSA-N	279.493	4.506	70	10	CJIE	
Cc1cncc(C(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c1	160955419	IHNYFRBMEXYZHG-KOCGSPDRSA-N	283.415	4.569	70	10	CJIE	
Cc1cccc2c(CC(C)C)c(CNCC(C)C)oc12	161127008	TUHAZCRFQOZTQD-UHFFFAOYSA-N	273.420	4.685	70	10	CJIE	
CCc1ccc([C@@H](NC)c2cc3ccc(F)cc3s2)cc1	161139940	VWKJETYBOQNVOF-GOSISDBHSA-N	299.414	4.912	70	10	CJIE	
CCc1ccc([C@@H](C)Nc2ccc(C)c(N(C)C)c2)cc1	161223331	WZKODUJPISGCAX-OAHLLOKOSA-N	282.431	4.797	70	10	CJIE	
Cc1cc([C@H](O)c2cc3ccc(F)cc3s2)ccc1F	161225369	PRLKALIQHNGBAL-INIZCTEOSA-N	290.334	4.570	70	10	CJIE	
C1=C[C@@H]2[C@H](C1)C[C@H]2Nc1ccccc1Oc1ccccc1	217810262	XHLXGHNCOYXESR-QGPMSJSTSA-N	277.367	4.855	70	10	CJIE	
CC(C)=C(CN1C[C@H](C)C[C@@H]2CCCC[C@H]21)[B-](F)(F)F	2340138814	KQEFKFFBMMPJSS-VNHYZAJKSA-N	288.186	4.610	70	10	CJIE	
Cc1cccc(C)c1C[C@H](CNC(C)C)C1CCCC1	159965840	YWVOZYPAUQSNTP-GOSISDBHSA-N	273.464	4.650	70	10	CJIE	
CCCN[C@H](C1=CCCCO1)C1(CC(C)C)CCCC1	160390758	XSIGCQJZMKNGQD-QGZVFWFLSA-N	279.468	4.655	70	10	CJIE	
CCOC(CC)(CC)C(=O)c1ccc(C2CCC2)cc1	160654077	AZOUEHDBSVSSTP-UHFFFAOYSA-N	274.404	4.732	70	10	CJIE	
CCCc1c(CNC)oc2c([C@H](C)CC)cccc12	161381315	PBBXUQJTZGBMLB-GFCCVEGCSA-N	259.393	4.618	70	10	CJIE	
CC[C@@H]1CC[C@@H](N)[C@@H](Cc2cccc3ccccc23)C1	217642686	ZCDPELYDALEOSI-LSBZLQRGSA-N	267.416	4.536	70	10	CJIE	
N[C@]1(c2cc(Cl)ccc2Cl)C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217888504	AJUXBHYXOBNYDQ-TUJLLHNGSA-N	296.241	4.604	70	10	CJIE	
Cc1ccccc1C[C@H](C)N[C@@H]1C[C@@H](C)CC(C)(C)C1	218102006	QSSYOKOFMTWWTI-UWWQBHOKSA-N	273.464	4.730	70	10	CJIE	
CC[C@H]1CC[C@@H](O)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	218283039	ATIWAGHHCFIDJY-YXJHDRRASA-N	274.448	4.714	70	10	CJIE	
O[C@H](CCC1CCCCC1)[C@H]1C[C@H]1c1ccccc1	160045701	RLKJCXAROAGBAA-OKZBNKHCSA-N	258.405	4.512	70	10	CJIE	
CC[C@H](N)Cc1ccc(Oc2ccc(F)cc2C)c(C)c1	160708205	WELFEJGRMZLBIS-INIZCTEOSA-N	287.378	4.515	70	10	CJIE	
Cc1ccc([C@H](C)NCc2cc(Cl)ccc2F)c(C)c1	160771800	PGAGEOSUEXDIGT-ZDUSSCGKSA-N	291.797	4.947	70	10	CJIE	
CCOc1ccc(NCc2cc(Cl)ccc2F)cc1F	160884598	ZJFBMMZDCXRBSU-UHFFFAOYSA-N	297.732	4.629	70	10	CJIE	
CCN[C@@H](CC1CCCCC1)c1ccc(OC(F)F)cc1	161043736	YNWFNZJKHCNZAW-INIZCTEOSA-N	297.389	4.909	70	10	CJIE	
CCOc1ccc([C@@H](C)N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1	217731866	PVDUOBISKOOGDX-INMHGKMJSA-N	289.463	4.951	70	10	CJIE	
Cc1ccc(C2CC(N[C@@H]3CCC[C@H](C)[C@H]3C)C2)cc1	218064990	JWBHGXZWRZDVHU-GQVDRJMXSA-N	271.448	4.655	70	10	CJIE	
CCCC[C@H](CC)CO[C@H]1C[C@@H](CCC)CC[C@@H]1O	218556695	MKQMGFNUZNBFRH-QAETUUGQSA-N	270.457	4.549	70	10	CJIE	
CSc1ccc(CN[C@@H](C)c2cccc(C)c2)cc1	160184709	DZKJPPUOCDAQOJ-AWEZNQCLSA-N	271.429	4.568	70	10	CJIE	
C[C@@]12CC3CC(C[C@H](O)C4CCCC4)(C1)C[C@](C)(C3)C2	160598919	ZQFBTEZZDCWVOU-HDDGZJMUSA-N	276.464	4.924	70	10	CJIE	
CC(C)Oc1ccc(C(=O)CC2=CCCCC2)cc1	161023965	XNZCXQQUXJDYJU-UHFFFAOYSA-N	258.361	4.547	70	10	CJIE	
CC[C@H](C)C[C@H](O)c1ccc(Br)cc1Cl	161051481	MSBPAUHSWFPDAX-UFBFGSQYSA-N	291.616	4.572	70	10	CJIE	
CCO[C@]1(C(=O)C2CCC(CC)CC2)CCC[C@H](C)C1	161217064	NWWQBJTVDODFNL-MMIPBJDJSA-N	280.452	4.757	70	10	CJIE	
N[C@@H](CC1=CCCCC1)c1ccc(C(F)(F)F)cc1	161229728	DWGLCBTVACUBBL-AWEZNQCLSA-N	269.310	4.596	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NCC)[C@@H](Cc2cc(F)ccc2F)C1	217718679	KOVZNYBEMPCBGP-DDUZABMNSA-N	295.417	4.702	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@@H](N)[C@@H](Cc2cccc(Cl)c2)C1	217747397	ASFCMDQKTOKWKH-OFQRWUPVSA-N	279.855	4.672	70	10	CJIE	
CCN[C@@H](c1ccc(CC)cc1)[C@H]1CCC[C@@H](C)C1	218003313	HRLCQYYECUOBNQ-JLSDUUJJSA-N	259.437	4.726	70	10	CJIE	
CC[C@@H](C)[C@@H](c1ccccc1)[C@@H](O)c1cc(F)ccc1F	218125686	MYHPEYVHXWBSGN-UUWFMWQGSA-N	290.353	4.828	70	10	CJIE	
F[B-](F)(F)/C=C\c1ccc(Br)cc1Cl	382609081	SUQMKNAKAJAOSL-ARJAWSKDSA-N	284.291	4.502	70	10	CJIE	
CCC(CC)(CNCC(C)C)[C@H]1C[C@@H]1c1ccccc1	159426803	BRZZRMLWYOENNB-MSOLQXFVSA-N	273.464	4.842	70	10	CJIE	
CCSCC[C@@H](C)Nc1ccc(C(F)(F)F)cc1	160313871	MCPYMCADXHJPBC-SNVBAGLBSA-N	277.355	4.649	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](N[C@@H](C)Cc1ccc(C)s1)CC2	160828816	HQNXYKXYDFFCBY-UGSOOPFHSA-N	285.456	4.573	70	10	CJIE	
CO[C@H](C(=O)c1ccc2ccccc2c1)C1CCCCC1	161368302	SBWVDWOULCCORC-IBGZPJMESA-N	282.383	4.618	70	10	CJIE	
CNCc1oc2c(C)ccc(C(C)C)c2c1CC(C)C	161443719	NRODEBOBZMUMNF-UHFFFAOYSA-N	273.420	4.783	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](O)[C@@H](Cc2cccc3ccccc23)C1	218323098	ITSFAELHTJLUAQ-YVWKXTFCSA-N	282.427	4.816	70	10	CJIE	
C[C@@H](N[C@@H]1CCSC1)c1ccc(-c2ccccc2)cc1	218588303	OGEGASDEAGUYJM-RDTXWAMCSA-N	283.440	4.510	70	10	CJIE	
CC(=C[B-](F)(F)F)c1cc(F)c(Cl)cc1Cl	1912967126	TVYXMCBCCKGWQV-UHFFFAOYSA-N	271.857	4.922	70	10	CJIE	
CN(C[B-](F)(F)F)C(C1CCCCC1)C1CCCCC1	2338398782	HEJGAUVUEBHHPQ-UHFFFAOYSA-N	290.202	4.834	70	10	CJIE	
CC(C)=C(CN(C)[C@H]1CCCCC12CCC2)[B-](F)(F)F	2340313739	NSFWRHLCJMNCQP-AWEZNQCLSA-N	288.186	4.754	70	10	CJIE	
CN[C@H](c1ccc(C)cc1C)C1C2CC3CC(C2)CC1C3	160132052	AAGODGQSPWVCNS-AVHGTGSPSA-N	283.459	4.636	70	10	CJIE	
CCc1ccsc1[C@H](O)c1c(C)ccc2ccccc12	160968542	USTBSSGZTZGVGC-QGZVFWFLSA-N	282.408	4.854	70	10	CJIE	
Cc1nn(C(C)C)c(C)c1N[C@H]1C[C@@H](C)CC[C@H]1C(C)C	218113706	CAADMBSPKMXJCW-JQFCIGGWSA-N	291.483	4.954	70	10	CJIE	
CC[C@@H]1CC[C@@H](N)[C@@H](c2ccc(C(C)(C)C)cc2)C1	218431334	HDJTVHSKFZSEFV-KBRIMQKVSA-N	259.437	4.605	70	10	CJIE	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC1C3CC4CC(C3)CC1C4)C2	218543782	OZCSIYGIMMESOA-MBTPIBLVSA-N	287.491	4.616	70	10	CJIE	
CC(C)NC[C@]1(O[C@@H]2CCC[C@@H](C)C2)CCC[C@H](C)C1	218762073	YZLHFPQWZGXEOL-XDNAFOTISA-N	281.484	4.529	70	10	CJIE	
CC(C)=C(CN(C)Cc1scc(C)c1C)[B-](F)(F)F	2317991114	RMAGCZCHGXWFRA-UHFFFAOYSA-N	290.183	4.520	70	10	CJIE	
CCCc1cccc([C@H](O)c2cc3ccccc3s2)c1	159812999	WFQMZVKMLNHBFY-SFHVURJKSA-N	282.408	4.936	70	10	CJIE	
FC(F)(F)c1ccccc1[C@@H]1CCNC[C@@H]1C1CCCC1	160127124	WVUIENJUOBOPQO-DZGCQCFKSA-N	297.364	4.589	70	10	CJIE	
CO[C@@H](c1nc(C)c(C(C)C)c(Cl)n1)C1CCCCC1	160407955	WLMIOGQFDRJIGH-CQSZACIVSA-N	296.842	4.830	70	10	CJIE	
Cc1cccc([C@H](N)Cc2ccc(F)cc2Cl)c1Cl	160583125	QLBPKXZCWSYTEW-CQSZACIVSA-N	298.188	4.683	70	10	CJIE	
CCCOc1ccccc1[C@@H](CC1=CCCCC1)NC	161276262	NCGRNRRORSYGQM-QGZVFWFLSA-N	273.420	4.626	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1cc(F)ccc1C	161313910	TTYAKTTYMOLSTA-KRWDZBQOSA-N	261.384	4.675	70	10	CJIE	
C[C@H]1CC[C@H](CN)[C@@H](C[C@@H]2CCCc3ccccc32)C1	218632795	KBFCISBMIFRYAY-DZJNRPSUSA-N	271.448	4.508	70	10	CJIE	
CCC[C@H]1CC[C@H](CN)[C@@H](Cc2c(C)cc(C)cc2C)C1	218743821	RDEJBNLAZQSZJI-IPMKNSEASA-N	287.491	4.946	70	10	CJIE	
Cc1cc(OC[C@H](C)C2CCCCC2)ccc1[B-](F)(F)F	380689948	FDFGPDUMPQXWDT-ZDUSSCGKSA-N	299.165	4.645	70	10	CJIE	
C=C(CCN1CCC(C2CCCCC2)CC1)[B-](F)(F)F	2107129370	KBKGMOYICQMTDB-UHFFFAOYSA-N	288.186	4.612	70	10	CJIE	
Cc1ccc(OCC2CC(C(C)(C)C)C2)c([B-](F)(F)F)c1	2161218560	NLENVFKOUIJDCB-UHFFFAOYSA-N	299.165	4.501	70	10	CJIE	
CC(C)(C)CC1CC(COc2cccc([B-](F)(F)F)c2)C1	2290039492	HRWQKXMMOITGEU-UHFFFAOYSA-N	299.165	4.582	70	10	CJIE	
C[C@H](N[C@H](c1cccs1)C1CC1)[C@@H]1C[C@@H]2CC[C@@H]1C2	218068823	WFWNTDOUWKEHSP-FDCPPYJTSA-N	275.461	4.614	70	10	CJIE	
C1=C[C@H]2[C@@H](C1)C[C@H]2N[C@H](c1cccs1)C1CCCC1	218260434	VJVHYQUDAZMRLF-MPTYRVRUSA-N	273.445	4.534	70	10	CJIE	
CC[C@@H]1CCCC[C@@H]1O[C@@]1(CNC(C)C)CCC[C@@H](C)C1	218747222	YQEGTZDTCHCXSI-YRXWBPOGSA-N	295.511	4.919	70	10	CJIE	
Cc1cc(OC[C@H]2CCC=CCCC2)ccc1[B-](F)(F)F	2163720004	BAKUBEJLAXYSKQ-AWEZNQCLSA-N	297.149	4.565	70	10	CJIE	
CC[C@](C)(CNC(C)(C)C)[C@@H]1C[C@@H]1c1ccccc1	159430988	RFOMBEPYFWDYAD-JFIYKMOQSA-N	259.437	4.595	70	10	CJIE	
Clc1ccc(CSc2cccc(Cl)n2)cc1	160776229	PBQJTXCATBQQFJ-UHFFFAOYSA-N	270.184	4.681	70	10	CJIE	
CCNCc1oc2c(C(C)C)cccc2c1CC(C)C	161369749	NPHLGSGRFVVELI-UHFFFAOYSA-N	273.420	4.864	70	10	CJIE	
CCO[C@@H](C(=O)c1ccc(Cl)cc1F)C1CCCCC1	161444483	JVIFBHQYRPHVQU-MRXNPFEDSA-N	298.785	4.647	70	10	CJIE	
C[C@H]1C[C@H]1c1ccc(CN[C@H](C)c2ccc(F)c(F)c2)o1	217635922	NXQWPDCTNBCMSS-MISXGVKJSA-N	291.341	4.532	70	10	CJIE	
CCCc1ccccc1N[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218105242	IXRMELAICCPVTM-NRUGXNMXSA-N	269.432	4.876	70	10	CJIE	
Cc1ccc(Cl)cc1NC(=O)NC=C1CCCCC1	218673458	NCHQPRMTVTXXPU-UHFFFAOYSA-N	278.783	4.618	70	10	CJIE	
Cc1ccc(Cl)c(C23CC([B-](F)(F)F)(C2)C3)c1	1887484514	VREAYHWZUMHDJL-UHFFFAOYSA-N	259.487	4.672	70	10	CJIE	
CCCN[C@H](CSCC1CCCC1)C1CCCCC1	159408506	XGDQQSKKVMDLNO-QGZVFWFLSA-N	283.525	4.858	70	10	CJIE	
CC(C)(C)NCC1([C@@H]2C[C@@H]2c2ccccc2)C[C@@H]2C[C@H]2C1	159476740	PFDBOSKDUFFMHT-WNRNVDISSA-N	283.459	4.595	70	10	CJIE	
CCSCC[C@H](C)N[C@@H]1CCCC[C@@H]1c1ccccc1	160053324	YSIYCPVTNLYEAX-CGTJXYLNSA-N	291.504	4.834	70	10	CJIE	
COc1cc(N[C@@H]2CCCC[C@H]2C(C)(C)C)ccc1F	160055998	VZAGYXCHQSEAPZ-UKRRQHHQSA-N	279.399	4.851	70	10	CJIE	
CN[C@@H](c1cccc(C)c1Cl)c1c(C)cc(C)cc1C	160289765	VMKXRRDJQNHIJK-SFHVURJKSA-N	287.834	4.882	70	10	CJIE	
CN[C@H](c1cc(C)c(F)c(C)c1)c1cccc(C)c1Cl	160317358	YCIJYVBZTJTCRP-QGZVFWFLSA-N	291.797	4.713	70	10	CJIE	
CC[C@@H]1CCC[C@H]([C@@H](NN)C2(CC(C)C)CCCC2)C1	217322661	BRJYNEUOGKTONE-IXDOHACOSA-N	280.500	4.641	70	10	CJIE	
CCCN[C@H](Cc1ccc(CC)cc1)[C@H]1CCC[C@@H](C)C1	218013488	SBUIDOLYOHGFJN-LSTHTHJFSA-N	287.491	4.986	70	10	CJIE	
CC[C@H](C)[C@H](c1ccccc1)[C@@H](N)c1sccc1C	218302377	KUDWRPXKJWTVPP-APHBMKBZSA-N	273.445	4.886	70	10	CJIE	
Cc1cccc(C)c1NC(=O)N/C=C/C1CCCCC1	218654469	KXVIQHKACJAWAL-VAWYXSNFSA-N	272.392	4.519	70	10	CJIE	
CC[C@@H]1CC[C@@H](CN)[C@@H](C[C@@H]2CCCc3ccccc32)C1	218704788	QPFXHMAPGIVCJW-XGXHKWSGSA-N	285.475	4.898	70	10	CJIE	
Cc1cc(C(F)(F)F)sc1[C@H]1C[C@H]1[B-](F)(F)F	2245924625	ZKDIJXSRIGQCBF-NTSWFWBYSA-N	273.030	4.780	70	10	CJIE	
C[C@](F)(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCNC1	159447405	GAGDCSNCDINIQR-MOPGFXCFSA-N	283.390	4.538	70	10	CJIE	
CCCOc1ccc([C@H](C)N[C@H](C)CCSCC)cc1	160052526	ZVGLFDSNOXICIO-CABCVRRESA-N	295.492	4.658	70	10	CJIE	
CCN[C@@H](Cc1cccc(OC)c1)C[C@@H](C)CC(C)(C)C	160644154	VWTTVDPXEGGCET-NVXWUHKLSA-N	291.479	4.678	70	10	CJIE	
Cc1ccc(NCc2ccc(C3CC3)cc2)cc1N(C)C	161163710	QVJQULZTKFTHMS-UHFFFAOYSA-N	280.415	4.551	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](N)[C@@H](c2cccc(C(F)(F)F)c2)C1	218526287	IUNSVSJUHWBYGW-DFBGVHRSSA-N	285.353	4.572	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1O[C@@]1(CNC2CC2)CCC[C@@H](C)C1	218747480	IQDTVMRUYOFJHN-NEPXVJNWSA-N	293.495	4.673	70	10	CJIE	
CC1(C)CC[C@@H](CCN2CC[C@](C)([B-](F)(F)F)C2)C1	2321608914	UIHJXDXSSVANHP-JSGCOSHPSA-N	276.175	4.516	70	10	CJIE	
CCCN[C@@H](CSCC1CCCC1)C1CCCCC1	159408354	XGDQQSKKVMDLNO-KRWDZBQOSA-N	283.525	4.858	70	10	CJIE	
CCCNC[C@](C)(CCC)[C@H]1C[C@@H]1c1ccccc1	159417561	NBYZPWGAGKMTPE-SQNIBIBYSA-N	259.437	4.596	70	10	CJIE	
CC(C)Cc1ccc([C@@H]2CCNC[C@@H]2C2CCCC2)cc1	160108693	OGKVMCFLQASAAF-VQTJNVASSA-N	285.475	4.768	70	10	CJIE	
Cc1ccc(Cl)cc1[C@H](O)Cc1ccc(Cl)cc1F	160414531	GAJMMGUUKUEJML-OAHLLOKOSA-N	299.172	4.717	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](N)C[C@@H]1C[C@@H]2CC[C@@H]1C2	160874617	PRVRJWKEAMLSQB-NWGLXNPWSA-N	279.427	4.974	70	10	CJIE	
O=C(CC1=CCCCC1)Cc1ccc(C(F)(F)F)cc1	161003402	PBULQEWBEZHKTO-UHFFFAOYSA-N	282.305	4.708	70	10	CJIE	
Cc1ccsc1[C@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)[C@@H](C)N	217898638	LSKULKJQEDNSOQ-NMFUWQPSSA-N	295.492	4.676	70	10	CJIE	
CCOc1cccc(N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1	218106661	AFAYDNVSWQNGRI-RPVQJOFSSA-N	273.420	4.712	70	10	CJIE	
Cc1ccc(C)c(NC(=O)N/C=C/C2CCCCC2)c1	218650012	AIPYDLOQJATSER-ZHACJKMWSA-N	272.392	4.519	70	10	CJIE	
CCN[C@H]1CC[C@H](C(C)C)C[C@@H]1N(CC)CC(CC)CC	218671195	AWQCHGZUJDBRBS-FHWLQOOXSA-N	296.543	4.547	70	10	CJIE	
F[B-](F)(F)[C@]12C[C@H]1CCN(CCCCCCC1CC1)C2	2225789109	VVIBNQISCWZVEK-CABCVRRESA-N	288.186	4.660	70	10	CJIE	
COc1cc(N[C@@H](c2cccs2)C(C)C)ccc1F	160128557	XJPHLMLGHUCORN-OAHLLOKOSA-N	279.380	4.705	70	10	CJIE	
O[C@H](c1cccc(C2CCC2)c1)[C@@H]1C[C@@H]1c1ccccc1	160176468	GYKVQCJMHNNFEL-VAMGGRTRSA-N	278.395	4.791	70	10	CJIE	
Cc1ccc2c(c1)[C@H](Nc1ccc3[nH]ccc3c1)CC2	160764537	AAJIASPSZAKLTI-GOSISDBHSA-N	262.356	4.576	70	10	CJIE	
Fc1ccc(Cl)cc1CNc1cc(F)c(F)c(F)c1	160816413	QXGXQRGIWWQDFK-UHFFFAOYSA-N	289.659	4.509	70	10	CJIE	
CCCN[C@H](c1ccc(CCC)cc1)[C@@H]1CCCS1	161140148	BHOXDANBGDGJCW-DLBZAZTESA-N	277.477	4.575	70	10	CJIE	
CCCN[C@@H]([C@@H]1CCCCS1)[C@@H]1CCCC[C@@H]1CC	161424254	MQXYHPPNBXRSHH-VVLHAWIVSA-N	283.525	4.857	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)c1cccc(OC)c1F	161435248	LVUNUGRNAWNNNV-INIZCTEOSA-N	291.410	4.766	70	10	CJIE	
Cc1cc(Br)ccc1-c1cc([C@@H](C)N)cs1	217256114	YVPFQXZFALZBEN-SECBINFHSA-N	296.233	4.506	70	10	CJIE	
CCOc1cc(F)ccc1N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	217580575	BIVAHJFKRAQJJE-BJOOFOGMSA-N	291.410	4.851	70	10	CJIE	
C[C@H]1CCC[C@H]([C@@H](O)c2ccc3ccccc3c2)C1	217911775	KWGSZLKEKIWVCM-QANKJYHBSA-N	254.373	4.700	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1cc(F)c(F)cc1F	218194014	GXFWGMWUNWNXPK-ZETOZRRWSA-N	285.353	4.977	70	10	CJIE	
CC[C@@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)[C@@H](O)c1ccccc1	218554053	NBUTZVRDSLPPNA-DDBAPUKQSA-N	290.447	4.730	70	10	CJIE	
CCNC[C@]1(O[C@@H]2CCCC[C@@H]2CC)CCC[C@H](C)C1	218747157	JRFCEBNMHNIBKV-FJIDUMEYSA-N	281.484	4.530	70	10	CJIE	
CCCN[C@H]1CC[C@@H](CCC)C[C@@H]1Oc1ccccc1C	218774033	AUDUZICQWFHWFM-AOIWGVFYSA-N	289.463	4.711	70	10	CJIE	
C=C(CCOCC(C)(C)Cc1ccccc1)[B-](F)(F)F	2338877040	HCWWSFVZCKDLFX-UHFFFAOYSA-N	285.138	4.605	70	10	CJIE	
Cc1ccc(F)c([C@H](O)c2cc3cccc(Cl)c3o2)c1	159632116	OYFIOVPNHLBPIV-HNNXBMFYSA-N	290.721	4.615	70	10	CJIE	
CSc1ccc([C@H](O)c2c(C)ccc3ccccc23)cc1	161009560	ODTKTPIPWWAORN-IBGZPJMESA-N	294.419	4.952	70	10	CJIE	
CC[C@@H](C)c1ccccc1NC(=O)Nc1ccc(F)cc1	217268767	SMTWPHUYKFBUJZ-GFCCVEGCSA-N	286.350	4.983	70	10	CJIE	
C[C@H]1CC([C@@H](NN)c2cc3sccc3s2)C[C@H](C)C1	217317792	GIOJGDPUSFRSOT-IQMDTDKHSA-N	294.489	4.540	70	10	CJIE	
Cc1c([C@@H](C)N[C@H]2CCC[C@@H](C)C2)oc2ccccc12	217996723	BSZDYCRZPDTAPF-YUELXQCFSA-N	271.404	4.971	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1ccc(Cl)cc1CN	218233795	SYTKTINHDJQTFK-NUTKFTJISA-N	295.854	4.638	70	10	CJIE	
Cc1ccc(NC(=O)N/C=C/C2CCCCC2)cc1C	218640087	QWGVRLAKCOYWIR-ZHACJKMWSA-N	272.392	4.519	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1O[C@H]1CCCC[C@H]1CC	2197461582	NFRKPWMQSOPQHU-DOMZBBRYSA-N	299.165	4.651	70	10	CJIE	
COc1cc(N[C@H]2CCCC(C)(C)CC2)ccc1F	159971810	CKZYZSZYRWBRDL-LBPRGKRZSA-N	265.372	4.605	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](NCCC1CCC(C)CC1)CC2	160828047	LOPOBRMUHWCATF-KJXMEXGPSA-N	271.448	4.788	70	10	CJIE	
Cc1ccc(N[C@@H](C)c2cc(F)ccc2F)cc1N(C)C	161205428	IUSATIQXHUWJOX-LBPRGKRZSA-N	290.357	4.512	70	10	CJIE	
CCOC1(C(=O)c2ccc(Cl)cc2)CCC(C)(C)CC1	161243729	VSFLVESDCCGJMF-UHFFFAOYSA-N	294.822	4.898	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)c1ccc(F)cc1	161422426	SNNICOJUPAAVRT-QGZVFWFLSA-N	261.384	4.757	70	10	CJIE	
CC[C@H]1CCc2nc(C[C@@H](C)CC(C)(C)C)[nH]c2C1	216977177	WGSITFKTPUMARO-OLZOCXBDSA-N	262.441	4.539	70	10	CJIE	
C1=C[C@@H]2[C@H](C1)C[C@H]2Nc1cccc(Oc2ccccc2)c1	218135683	JFFGFMKAEUBMPM-NIKGAXFTSA-N	277.367	4.855	70	10	CJIE	
CC[C@@H]1CC[C@H](CN)[C@@H](C[C@@H]2CCCc3ccccc32)C1	218704933	QPFXHMAPGIVCJW-QXCFHYIPSA-N	285.475	4.898	70	10	CJIE	
F[B-](F)(F)/C=C/c1ccc(C(F)(F)F)cc1Cl	309625229	CNKRFCFGSRFMQL-ONEGZZNKSA-N	273.392	4.759	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@@H]1c1cc(Cl)sc1Cl	1882186177	SYHTWRSAIHTFJG-WUJLRWPWSA-N	259.896	4.760	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(OCC2C[C@@H](C)C[C@H](C)C2)c1	2149157111	ZWUNMOBHRCHGQQ-STQMWFEESA-N	299.165	4.501	70	10	CJIE	
CCCC[C@H](CC)CN1CCC([B-](F)(F)F)CC1	2216956944	QVXNKIPSRDRUQC-LBPRGKRZSA-N	264.164	4.516	70	10	CJIE	
C[C@]1([B-](F)(F)F)CCN(C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2342526128	JJEYQXAEMTWCHS-XGUBFFRZSA-N	288.186	4.516	70	10	CJIE	
CC(C)Oc1ccc(NCc2ccc(Cl)cc2F)cc1	160674869	HVJCVQJDTCAOSQ-UHFFFAOYSA-N	293.769	4.878	70	10	CJIE	
Cc1ccc2ccccc2c1C(C)(C)CCNC(C)C	161115688	ZOCCGJFTIJRYIG-UHFFFAOYSA-N	269.432	4.814	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Nc1cccc(N(C)C)c1	161120767	BHGKIDNOYQJGTH-FHLIZLRMSA-N	274.452	4.625	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)s1)c1ccc(C)c(C)c1	161195340	GBCDWSMSIRYCCW-GOSISDBHSA-N	287.472	4.821	70	10	CJIE	
Cc1ccc(F)c([C@H](N)Cc2ccc(C(C)(C)C)cc2)c1	161253662	YEYVRJLQCABXLI-GOSISDBHSA-N	285.406	4.674	70	10	CJIE	
CC[C@H](N)[C@@H](O[C@@H]1CCCC[C@@H]1CC)c1cccc(C)c1	218246629	IXBFUULUFUJOLM-KANFNMMFSA-N	289.463	4.759	70	10	CJIE	
COc1ccc2cc(C(C)=C[B-](F)(F)F)ccc2c1	1912951756	PPFANZSLVBVRLR-UHFFFAOYSA-N	265.063	4.638	70	10	CJIE	
C=C(CN(C)C1CCC(CC)(CC)CC1)[B-](F)(F)F	2051645434	LPJNSHJGOZVIRN-UHFFFAOYSA-N	276.175	4.610	70	10	CJIE	
CCNCc1sc([C@@H]2CCC[C@H](CC)C2)nc1C1CC1	159458113	PVAJVFKDEOICEW-GXTWGEPZSA-N	292.492	4.814	70	10	CJIE	
CCN[C@@H](c1ccc(CC)o1)C1C2CC3CC(C2)CC1C3	160145739	AMKWOXNMFZUHPT-DNCKVWLOSA-N	287.447	4.565	70	10	CJIE	
CCCN[C@@H](c1ccc(CC)cc1)[C@H]1CCCCS1	161449375	KWKAMWXYCQENCJ-SJORKVTESA-N	277.477	4.575	70	10	CJIE	
CC[C@@H](C)c1ccccc1NC(=O)Nc1ccccc1O	217278540	YNSUMYHPCXGSLX-GFCCVEGCSA-N	284.359	4.550	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCCNc1ccccc1	217890002	PPLDUSNOLYNCIK-NJAFHUGGSA-N	275.436	4.576	70	10	CJIE	
C[C@@H]1CCC[C@H]([C@@H](O)Cc2ccc(C(C)(C)C)cc2)C1	217915840	RTQFVKXTLSKJHT-HFTRVMKXSA-N	274.448	4.714	70	10	CJIE	
CCN[C@@H](c1cc(C)ccc1F)[C@@H]1CCC[C@@H](C)C1	217981447	NWPSASQTDDQKLK-SUYBPPKGSA-N	263.400	4.611	70	10	CJIE	
CCN[C@H](Cc1cc(C)cc(C)c1)[C@H]1CCC[C@@H](C)C1	217981899	LPMQFHGHMNUDDQ-MDASCCDHSA-N	273.464	4.650	70	10	CJIE	
C[C@@H](CCN[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)c1ccccc1	218138995	UZAPHVZDYOVTIO-WOGUSJMUSA-N	285.475	4.985	70	10	CJIE	
CCCN[C@H](c1ccc(C)cc1)[C@@H](C)N(C)[C@@H](C)CCC	218642608	KXLFUOLLSVMBMW-SCTDSRPQSA-N	290.495	4.545	70	10	CJIE	
CCCCCN(C(C)C)[C@@H]1C[C@@H](CCC)CC[C@@H]1NCC	218690449	GZMFUGWVVKLLJI-GBESFXJTSA-N	296.543	4.834	70	10	CJIE	
COc1cc(N[C@H](C)c2ccc(F)c(Cl)c2)ccc1F	160025276	DVVKXKRTSWPEIT-SECBINFHSA-N	297.732	4.800	70	10	CJIE	
O[C@H](c1cc2ccc(F)cc2s1)[C@@H]1C[C@H]1c1ccccc1	160041500	PGXSCZPVBFAOLG-DAYGRLMNSA-N	298.382	4.878	70	10	CJIE	
CCCN[C@@H](Cc1cccc(Cl)c1)[C@@H]1CCCCS1	161418055	VAXJOVSZCUDPSZ-HOTGVXAUSA-N	297.895	4.536	70	10	CJIE	
CNC/C(=C/c1cc(F)cc(Cl)c1)C1CCCCC1	161437215	PVFCHKPZXRVERM-AUWJEWJLSA-N	281.802	4.662	70	10	CJIE	
CCC[C@H](O)c1ccc2c(c1)C(C)(C)CCC2(C)C	161497352	JNDTYIFOAUJWMB-INIZCTEOSA-N	260.421	4.869	70	10	CJIE	
Cc1c(Cl)nc(C(C)C)nc1N(C)[C@H]1CCC[C@@H](C)C1	217548521	AJCIBGHWMSLBNS-YPMHNXCESA-N	295.858	4.577	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)C)C[C@@H]1CCCOc1ccccc1	217785268	SKTYLRXCPGQFJS-JENIJYKNSA-N	289.463	4.506	70	10	CJIE	
C[C@H]1CCC[C@H]([C@@H](O)c2cc(Cl)ccc2Cl)C1	217912429	ZFSCGHUHMBXNOR-PKFCDNJMSA-N	273.203	4.853	70	10	CJIE	
CC[C@@H]1CCC[C@H]([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2N)C1	218546836	CBNFSNUDGOLNFJ-XAJHFOFHSA-N	265.485	4.993	70	10	CJIE	
CC(C)(C)C1CCC(Oc2ccccc2[B-](F)(F)F)CC1	2144715160	DLNAPJDQNGLZHU-UHFFFAOYSA-N	299.165	4.725	70	10	CJIE	
CCCc1ccc(OCC(=C(C)C)[B-](F)(F)F)cc1	2317997272	GXMBIBJZFCFNQH-UHFFFAOYSA-N	271.111	4.741	70	10	CJIE	
CN[C@H](CSCc1cc(C)cc(C)c1)C1CCCCC1	159456301	DDANWXOOECMAMG-GOSISDBHSA-N	291.504	4.705	70	10	CJIE	
CCN[C@@H](Cc1cccc(F)c1)c1cccc(C)c1Cl	160358452	PDYWCVPWNVXITI-INIZCTEOSA-N	291.797	4.681	70	10	CJIE	
COC1(C(=O)c2ccc(C3CCC3)cc2)CCCCCC1	161303508	YQSKJECUYUPPSJ-UHFFFAOYSA-N	286.415	4.876	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)Cc1c(C)cccc1C	161365929	ZMMLPCLIBZQUNT-GOSISDBHSA-N	271.448	4.715	70	10	CJIE	
CCCN[C@@H](Cc1ccccc1Cl)[C@H]1CCCCS1	161410429	LYANIGRGUCFOFR-JKSUJKDBSA-N	297.895	4.536	70	10	CJIE	
Cc1ccc(F)c2oc(CNC(C)C)c(CC(C)C)c12	161492370	WCHBTWZVCCOFIN-UHFFFAOYSA-N	277.383	4.577	70	10	CJIE	
CCN[C@@H]1CC[C@@H](CC)C[C@@H]1Cc1c(F)cccc1Cl	217665772	AITGSVIAHQKNTP-PBFPGSCMSA-N	297.845	4.826	70	10	CJIE	
Cc1cc(C)c(N[C@@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c(C)c1	218090030	SYZKXCFWYPYUCX-QXDIGNSFSA-N	269.432	4.848	70	10	CJIE	
CCN[C@@H]1CC[C@@H](C(C)(C)CC)C[C@@H]1N(CC)[C@@H](C)CC	218630289	YAEMKCZIKOFYEB-MLHJIOFPSA-N	296.543	4.690	70	10	CJIE	
CCN[C@H](c1cccc(Cl)c1F)[C@H]1CCC[C@@H](C)C1	218732005	NOMQLQREFDWHFU-WQGACYEGSA-N	283.818	4.956	70	10	CJIE	
CCCN[C@H]1CC[C@H](CCC)C[C@@H]1Oc1ccccc1C	218774189	AUDUZICQWFHWFM-LNLFQRSKSA-N	289.463	4.711	70	10	CJIE	
CCCCCCCCCCCCCS(=O)(=O)F	1951795861	RSQVLVWDMBYIDT-UHFFFAOYSA-N	266.422	4.597	70	10	CJIE	
CC(C)(C)C1CCC(Oc2cccc([B-](F)(F)F)c2)CC1	2144723543	SHRYHJPQASENFG-UHFFFAOYSA-N	299.165	4.725	70	10	CJIE	
CC(C)CCC[C@@H](O)c1ccc(Cl)c2cccnc12	160414722	BEOJIJBLLMLMBI-OAHLLOKOSA-N	277.795	4.748	70	10	CJIE	
CCCN[C@@H](Cc1ccc(F)cc1Cl)[C@H](C)CCC	160625586	NTXHGADMTZMGPF-WBMJQRKESA-N	285.834	4.826	70	10	CJIE	
CCCC[C@](CC)(CNC1CC1)C[C@@H]1CCC(C)(C)O1	160906211	OVTSTOKXWSKPON-WMZOPIPTSA-N	281.484	4.673	70	10	CJIE	
CCCN[C@@H](Cc1ccc(CC)s1)c1sccc1C	161134931	PRSFXWWLCBAVOX-HNNXBMFYSA-N	293.501	4.964	70	10	CJIE	
CCCc1c(CNC(C)C)oc2c(C)ccc(C)c12	161240371	FUEKKLYKNDCKOB-UHFFFAOYSA-N	259.393	4.500	70	10	CJIE	
CC[C@@H](C)c1cccc2c(C(C)C)c(CNC)oc12	161379047	WDKFESFPKDRKBV-GFCCVEGCSA-N	259.393	4.789	70	10	CJIE	
CC(C)NCC1(C2=CCCCC2)CC(C(C)(C)C)C1	161454956	IFDNBZJJIFEIRD-UHFFFAOYSA-N	263.469	4.927	70	10	CJIE	
CC[C@@H](c1ccc(O)cc1)N1CCC[C@@H](C(C)(C)C)CC1	217884388	NGEZRTXHHAFQEK-AEFFLSMTSA-N	289.463	4.992	70	10	CJIE	
CCN[C@@H](C)c1ccccc1N1CCC[C@@H]2CCCC[C@H]21	218017571	MREZGKDXXPMVTD-XYJFISCASA-N	286.463	4.516	70	10	CJIE	
Cc1cc(Br)c([C@H]2C[C@@H]2[B-](F)(F)F)s1	1882185029	NJGABQBNDPOIJJ-WDSKDSINSA-N	283.929	4.524	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	1885275481	VHHPRDVUSXBNAS-DTWKUNHWSA-N	253.867	4.698	70	10	CJIE	
Cc1ccc(OCCCCC[C@H]2C[C@@H]2C)c([B-](F)(F)F)c1	2284872471	UTXWIHLDTMOKPA-KBPBESRZSA-N	299.165	4.645	70	10	CJIE	
CCCC[C@H](CC)CN1CC[C@](C)([B-](F)(F)F)C1	2303159951	SGYSSENJUGCJTH-STQMWFEESA-N	264.164	4.516	70	10	CJIE	
C[C@@H](C[C@H](O)c1cccc(OC2CC2)c1)CC(C)(C)C	159954013	VAWSOSVKYTUZOQ-GUYCJALGSA-N	276.420	4.724	70	10	CJIE	
CCN[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(C)o1	160484339	VITOMOSWUAMLEI-CQSZACIVSA-N	298.213	4.788	70	10	CJIE	
Cc1ccc2c(c1)[C@H](N[C@H](C)C1CCCCCC1)CC2	160838257	UAFZFOSHKXMPDN-DNVCBOLYSA-N	271.448	4.931	70	10	CJIE	
CCC(CC)[C@H](NC)c1c(C)ccc2ccccc12	160897595	GVFTURHUIYREJX-SFHVURJKSA-N	255.405	4.845	70	10	CJIE	
CC(C)(C)c1ccc(CC(=O)CC2=CCCCC2)cc1	161004509	WSGUHQOFLMHFCD-UHFFFAOYSA-N	270.416	4.986	70	10	CJIE	
C[C@H](Nc1cccc(N(C)C)c1)c1cnc2ccsc2c1	161076417	PRRYJIXWWNHSFH-LBPRGKRZSA-N	297.427	4.535	70	10	CJIE	
COC1(C(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)CCC(C)(C)CC1	161290782	JXMHJEYCTMPPAZ-SOUVJXGZSA-N	280.452	4.613	70	10	CJIE	
CC[C@@H](C)c1cccc2c(C3CC3)c(CNC)oc12	161377933	JFVHCVTYZXZZRT-LLVKDONJSA-N	257.377	4.543	70	10	CJIE	
Cc1cc(CN[C@H]2C[C@@H](C)CC[C@H]2C(C)C)c(C)s1	217522102	QPGJPKOGEGZZGC-ZLIFDBKOSA-N	279.493	4.915	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](N)[C@@H](Cc2ccc(C(F)(F)F)cc2)C1	217775589	UVVHIRXHWDIFPD-OFQRWUPVSA-N	299.380	4.648	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](N)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	217781684	SYEHRINJYQMXNY-JENIJYKNSA-N	287.491	4.926	70	10	CJIE	
C[C@H]1CCC[C@@H]([C@@H](O)Cc2c(Cl)cccc2Cl)C1	217922391	KPMUQRVGDYBBRS-RWSFTLGLSA-N	287.230	4.723	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@]1(CO)Nc1ccccc1Cl	218115200	HILSVQPTLBUBGD-CPUCHLNUSA-N	295.854	4.575	70	10	CJIE	
CC[C@H]1CC[C@H](O)[C@@H](Cc2c(Cl)cccc2Cl)C1	218288308	UVGVQTLUPQGNRZ-RWSFTLGLSA-N	287.230	4.723	70	10	CJIE	
CCC[C@H](C)N(C)C[C@@H](NCC)c1ccc(C(C)C)cc1	218644739	CDWYZHHRQLQUBO-QFBILLFUSA-N	290.495	4.581	70	10	CJIE	
CC[C@H]1CCC[C@H]([C@@H](O)c2cccc(Cl)c2F)C1	218728372	USPWQJGXRGUYPP-ZIBATOQPSA-N	270.775	4.729	70	10	CJIE	
F[B-](F)(F)[C@H]1CCCN(CCCC2=CCCCC2)C1	2318569540	RKXKXNZJJCIKGN-AWEZNQCLSA-N	274.159	4.580	70	10	CJIE	
CC(C)=C(CO[C@H]1CCC2(CCCC2)C1)[B-](F)(F)F	2320442247	DMIZMYGFANRNDX-LBPRGKRZSA-N	275.143	4.839	70	10	CJIE	
F[B-](F)(F)[C@@]12C[C@@H]1CCN(CCCC1=CCCCC1)C2	2340998826	VVASTKNMFBTHSM-LSDHHAIUSA-N	286.170	4.580	70	10	CJIE	
Cc1ccc2c(CC(C)C)c(CNC(C)C)oc2c1C	161259258	GKSNLOKQFBCXRS-UHFFFAOYSA-N	273.420	4.746	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)Cc1ccc(CC)s1	161333831	AOPNGXRKONRXCE-HNNXBMFYSA-N	277.477	4.722	70	10	CJIE	
CC[C@H](C)[C@H](c1ccccc1)[C@@H](O)c1cc(F)ccc1F	218125590	MYHPEYVHXWBSGN-RZAIGCCYSA-N	290.353	4.828	70	10	CJIE	
CCCC[C@H](CC)CO[C@@H](c1ccc(F)cc1)[C@@H](N)CC	218269499	AXENBKVINKYCGL-WBAXXEDZSA-N	295.442	4.837	70	10	CJIE	
C[C@]1([B-](F)(F)F)CCN(CCCC2=CCCCC2)C1	2319731706	WFKOGLKBWFBFGI-AWEZNQCLSA-N	274.159	4.580	70	10	CJIE	
C[C@@]1([B-](F)(F)F)CCN(CC[C@H]2CCCCC23CC3)C1	2342543003	DRPAYXBOMCWNQP-ZIAGYGMSSA-N	288.186	4.660	70	10	CJIE	
O[C@H](CC1CCCCCC1)[C@H]1C[C@H]1c1ccccc1	160067219	TWGVVEHTHJPDSU-OKZBNKHCSA-N	258.405	4.512	70	10	CJIE	
CCOC1(c2nc(Cl)cc(C(C)C)n2)CCC(C)CC1	160382222	HDGFRHDYKZYCCP-UHFFFAOYSA-N	296.842	4.695	70	10	CJIE	
CCOC1(C(=O)c2ccc(C(C)(C)C)cc2)CCCC1	160743463	WBIVHSQKDGKCLT-UHFFFAOYSA-N	274.404	4.516	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@@H](N)[C@@H](Cc2ccc(F)cc2Cl)C1	217748273	MCAYWLSSLBNYHX-WOSRLPQWSA-N	297.845	4.811	70	10	CJIE	
C[C@@H]1CCC[C@H](S[C@H](C)CNc2ccccc2)C1	217922296	VRUVNQFBRZQXBB-FMKPAKJESA-N	263.450	4.799	70	10	CJIE	
CCN[C@@H](Cc1cc(C)ccc1C)[C@H]1CCC[C@@H](C)C1	217982750	BBHRKNMXJLIONK-LJHODMEESA-N	273.464	4.650	70	10	CJIE	
CCCN[C@H](Cc1ccc(F)cc1)[C@H]1CCC[C@@H](C)C1	218027597	QGTQPHFXFMPQPH-UWWQBHOKSA-N	277.427	4.563	70	10	CJIE	
C[C@H](N[C@H]1C[C@@H]2CC=C[C@H]21)c1ccc(C(C)(C)C)cc1	218038832	KTUUUGDIJOGAKF-PLYYQAHHSA-N	269.432	4.599	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@@H](O)[C@@H](C/C=C/c2ccccc2)C1	218306788	OWNRNUHIFBBYKM-MRYAYROQSA-N	272.432	4.913	70	10	CJIE	
CC(C)=C(COc1ccc(C)cc1Cl)[B-](F)(F)F	2301965258	REUCGTCWRYVKEQ-UHFFFAOYSA-N	277.502	4.750	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCCN(CCCC2=CCCCC2)C1	2318569541	RKXKXNZJJCIKGN-CQSZACIVSA-N	274.159	4.580	70	10	CJIE	
BrCCCCc1ccc2ccccc2c1	136803662	OHRNAEKSMFSOAN-UHFFFAOYSA-N	263.178	4.557	70	10	CJIE	
CCOC(CC)(CC)C(=O)C[C@@H]1CCCc2ccccc21	160663209	FNCVFZAYTLIWGC-INIZCTEOSA-N	288.431	4.661	70	10	CJIE	
Cc1ccc(C)c([C@H](O)c2c(C)ccc3ccccc23)c1	161004064	SATDSAGOIHBREG-FQEVSTJZSA-N	276.379	4.847	70	10	CJIE	
CC(C)(C)c1ccc(C[C@H](N)C2C(C)(C)C2(C)C)cc1	161276840	JPBHCLLHBAWXFW-HNNXBMFYSA-N	273.464	4.536	70	10	CJIE	
Cc1cc(C)cc([C@]2(N)C[C@@H](C)CC[C@H]2C(C)C)c1	217884621	NWUMGFDEVXWQNM-DOPJRALCSA-N	259.437	4.550	70	10	CJIE	
O=C(N/C=C/C1CCCC1)Nc1cccc(C(F)(F)F)c1	218583405	VFONPIZXESJIIQ-CMDGGOBGSA-N	298.308	4.531	70	10	CJIE	
Fc1cc([C@@H]2C[C@H]2[B-](F)(F)F)cc(C(F)(F)F)c1	1908066374	GUBGOUKZUYQSAE-DTWKUNHWSA-N	270.964	4.549	70	10	CJIE	
CC(C)=C(CN1CCCC12CCCCCC2)[B-](F)(F)F	2340332789	ZSQDMYLISXKTLZ-UHFFFAOYSA-N	288.186	4.898	70	10	CJIE	
CC(C)Cc1cccc([C@H](O)CCC2CCCC2)c1	159865089	VMCXVZVJACDCFU-GOSISDBHSA-N	260.421	4.889	70	10	CJIE	
Cc1cccc([C@H](O)c2ccccc2C2CCC2)c1Cl	160025845	ZVWIJEQLTWZEDT-GOSISDBHSA-N	286.802	4.998	70	10	CJIE	
CCCN[C@@H](c1ccc(C(C)C)cc1)c1cncc(C)c1	160963265	YTZFMWRUMLWZFS-IBGZPJMESA-N	282.431	4.602	70	10	CJIE	
Cc1ccc(N[C@@H]2CCC(C)(C)C[C@H]2C)cc1N(C)C	161235363	KHZIVMRYMGTSAJ-GDBMZVCRSA-N	274.452	4.688	70	10	CJIE	
CCCCN([C@H](C)CC)[C@H](c1ccccc1C)[C@@H](N)CC	217831785	UKAXZQQMQVZECS-NZSAHSFTSA-N	290.495	4.674	70	10	CJIE	
CC(C)=C(COc1cccc2c1CCCC2)[B-](F)(F)F	2340335290	VXTANGAVKDWODC-UHFFFAOYSA-N	283.122	4.667	70	10	CJIE	
C[C@@H](C[C@@H](O)c1cccc(OC2CC2)c1)CC(C)(C)C	159954263	VAWSOSVKYTUZOQ-SUMWQHHRSA-N	276.420	4.724	70	10	CJIE	
O[C@H](c1cc2ccc(F)cc2s1)[C@H]1C[C@@H]1c1ccccc1	160041419	PGXSCZPVBFAOLG-VKJFTORMSA-N	298.382	4.878	70	10	CJIE	
CCC[C@H]1CCC[C@H](Nc2ccc(F)c(OC)c2)CC1	160130386	AEUXNALTAGNHAZ-KBPBESRZSA-N	279.399	4.995	70	10	CJIE	
Clc1ccc(NCc2nc3cccc(Cl)c3o2)cc1	160425198	SGQSODZCIQCTAY-UHFFFAOYSA-N	293.153	4.747	70	10	CJIE	
CCc1ccc(C[C@@H](N)c2ccc(C(C)(C)C)cc2)s1	161215854	JHALIFUYWWDPMO-QGZVFWFLSA-N	287.472	4.851	70	10	CJIE	
CCCN[C@@H](c1ccc(C)cc1C)[C@@H]1CCCCS1	161412180	LKWGHYXSZMLYJC-IRXDYDNUSA-N	277.477	4.630	70	10	CJIE	
Cc1cccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1	217304731	MXFPILJZWCIDMU-UHFFFAOYSA-N	295.169	4.946	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NC)[C@@H](Cc2ccccc2Cl)C1	217709563	UWEIPPUUHADGFI-FRFSOERESA-N	279.855	4.687	70	10	CJIE	
Cc1ccccc1NCCO[C@H]1C[C@H](C)CC[C@H]1C(C)C	217895581	ITJUBLATNHODGJ-AYBZRNKSSA-N	289.463	4.884	70	10	CJIE	
C[C@H]1Cc2cc([C@H](O)C[C@H](C)CC(C)(C)C)ccc2O1	218134207	IINQXHUJVCBIBI-HEHGZKQESA-N	276.420	4.506	70	10	CJIE	
CCCCN([C@H](C)CC)[C@@H]1C[C@@H](CC)CC[C@@H]1NCCC	218699199	PFYQOQXNXJJCSO-YDZRNGNQSA-N	296.543	4.834	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](Cc2ccc(C)c(C)c2)C1	218730409	QHMCPJUBPXUHKZ-BHIYHBOVSA-N	273.464	4.637	70	10	CJIE	
Cc1ccccc1[C@H](CNC(C)C)O[C@@H]1CCC[C@@H](C)C1	218759811	KUFLQRWDJXJVNW-SUMDDJOVSA-N	289.463	4.629	70	10	CJIE	
CCN[C@H](CS[C@H]1CCC[C@H](C)C1)C1CCCCC1	159365150	MPOVHCSGHNZYBY-BHYGNILZSA-N	283.525	4.857	70	10	CJIE	
c1ccc2c(NC3=NCC4(CCCC4)CS3)cccc2c1	160208072	FMMACJVSDBLRBG-UHFFFAOYSA-N	296.439	4.915	70	10	CJIE	
CCN[C@@H](C)c1ccc(Oc2ccc(F)cc2C)cc1	160581903	JWYGSPJLQNZSBU-ZDUSSCGKSA-N	273.351	4.597	70	10	CJIE	
CCOc1cc(C)ccc1NCc1ccc(Cl)cc1F	160776120	SFABQJIMSZRIIK-UHFFFAOYSA-N	293.769	4.798	70	10	CJIE	
Cc1ccc2c(c1)[C@H](N[C@@H](C)C1CCCCCC1)CC2	160837981	UAFZFOSHKXMPDN-HNAYVOBHSA-N	271.448	4.931	70	10	CJIE	
CCN[C@H](CC1CCCCC1)c1cccc(OC(F)F)c1	161056127	PNXOUDJGDPFJIH-MRXNPFEDSA-N	297.389	4.909	70	10	CJIE	
CCCC[C@H](CC)COc1ccc([B-](F)(F)F)cc1C	203330714	WJZPHEKAYWSXSX-ZDUSSCGKSA-N	287.154	4.645	70	10	CJIE	
C[C@H]1C[C@@H](Nc2ccccc2F)c2ccsc2S1	216998920	WMMCVADFZQOZOI-TVQRCGJNSA-N	279.405	4.925	70	10	CJIE	
CN[C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1Cc1cccc(Cl)c1	217759670	FTKBKDCOJXGGFF-UXLLHSPISA-N	293.882	4.933	70	10	CJIE	
CCN[C@@H](Cc1cccc(Cl)c1)[C@@H]1CCC[C@@H](C)C1	217996025	OLDDNVSLFSCABL-UNEWFSDZSA-N	279.855	4.687	70	10	CJIE	
Cc1ccc([C@H]2CNc3cccc(Cl)c3O2)c(C)c1	160550957	WHTNIAMDELUZGO-OAHLLOKOSA-N	273.763	4.502	70	10	CJIE	
CCCN[C@H](Cc1ccc(CC)s1)c1cc(C)oc1C	161140162	YVDQJCKFIBQCEY-QGZVFWFLSA-N	291.460	4.804	70	10	CJIE	
Cc1ccc(CN[C@H]2C[C@H](C)CC[C@H]2C(C)C)c(C)c1	217864452	BANARQJHYKBKQO-MNEFBYGVSA-N	273.464	4.854	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1ccc2nccnc2c1	218096635	HPLIUQNLZGHMAT-KMFMINBZSA-N	283.419	4.503	70	10	CJIE	
CC[C@H]1CCCC[C@H]1N[C@H](CC)c1ccc2c(c1)CCO2	218153991	UQXRQEPQUNJLDT-BMGDILEWSA-N	287.447	4.631	70	10	CJIE	
C=C(COC[C@H]1C[C@@H]1C1CCCCCC1)[B-](F)(F)F	2080288057	KEIAUGSSRLWPLZ-ZIAGYGMSSA-N	275.143	4.552	70	10	CJIE	
CCNC[C@H](Cc1ccc(C(C)(C)C)cc1)C1CCCC1	159933049	DWGVOHXUNVIPEW-SFHVURJKSA-N	287.491	4.943	70	10	CJIE	
CC(C)NCc1oc2c(C(C)C)cccc2c1C1CC1	161372836	RIZUAZLUFHIZBM-UHFFFAOYSA-N	271.404	4.932	70	10	CJIE	
CC[C@H](C)c1ccccc1NC(=O)Nc1ccccc1F	217268627	JGHNITSACAXPDQ-LBPRGKRZSA-N	286.350	4.983	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1NCc1ccc(O)c(Cl)c1	217521943	IOMZDYZCMRAORI-BJJXKVORSA-N	295.854	4.596	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)cc1)[C@H]1CCC[C@@H](C)C1	217983150	ALJOTHNFNKSHRS-AYOQOUSVSA-N	273.464	4.596	70	10	CJIE	
CCC(C)(CC)COCC(=C(C)C)[B-](F)(F)F	1901648757	GWAXWGQVWPEPLV-UHFFFAOYSA-N	251.121	4.552	70	10	CJIE	
CC1(C)CCC[C@@H](CN2CCC([B-](F)(F)F)CC2)C1	2223251334	DDLLFGSECQTGSN-GFCCVEGCSA-N	276.175	4.516	70	10	CJIE	
CC(C)(C)c1cccc(CN2CCC[C@H]([B-](F)(F)F)C2)c1	2290293985	RCMNAOHXXMDDLB-HNNXBMFYSA-N	298.181	4.798	70	10	CJIE	
CC(C)=C(CO[C@@H]1CC[C@H](C)C[C@H]1C)[B-](F)(F)F	2301965208	QTHOOAWHDVBZOS-DMDPSCGWSA-N	263.132	4.551	70	10	CJIE	
Cc1cc([C@H](O)c2cccc(CC(C)C)c2)c(F)cc1F	159843701	UCHPKVIXERIQNA-GOSISDBHSA-N	290.353	4.553	70	10	CJIE	
CCc1ccc(C[C@H](CNC(C)C)C2CCCC2)cc1	159966094	ATDTZCSZOTWQAJ-LJQANCHMSA-N	273.464	4.596	70	10	CJIE	
COc1cc(N[C@@H](C)c2ccc(F)cc2Cl)ccc1F	160142417	XGHIHWHGABGDCR-VIFPVBQESA-N	297.732	4.800	70	10	CJIE	
Cc1ccc(C)c([C@@H]2CNc3cccc(Cl)c3O2)c1	160531189	IZMKEXXTSGCADV-HNNXBMFYSA-N	273.763	4.502	70	10	CJIE	
CO[C@]1(C(=O)c2cccc3ccsc23)CCC[C@@H](C)C1	161021431	CWLPNRAMOUUXKU-SJKOYZFVSA-N	288.412	4.679	70	10	CJIE	
N[C@H](CC1=CCCCC1)c1ccc(C2CCC2)cc1	161207288	LXMVZKDDSKDVEQ-GOSISDBHSA-N	255.405	4.844	70	10	CJIE	
CCc1ccc([C@H](O)c2cc3ccc(F)cc3s2)cc1	161219778	RXAMQYBZTVVWSA-KRWDZBQOSA-N	286.371	4.685	70	10	CJIE	
CCC[C@@H]1CC[C@@H](N)[C@@H](Cc2cccc3ccccc23)C1	217690104	USQANKFVVGSQLT-XFQXTVEOSA-N	281.443	4.926	70	10	CJIE	
Cc1cccc(NCCO[C@H]2C[C@H](C)CC[C@H]2C(C)C)c1	217892665	JCHAIXLMEJOWDN-NEWSRXKRSA-N	289.463	4.884	70	10	CJIE	
CC[C@@H](C)[C@H](c1ccccc1)[C@@H](O)c1sccc1C	218305224	SZIJFJDHOKIODG-DAXOMENPSA-N	274.429	4.920	70	10	CJIE	
Cc1ccc([C@H](O)[C@H](C)O[C@H]2C[C@@H](C)CC(C)(C)C2)cc1	218555416	GXIJKXXBOKMKQB-MXSMSXNCSA-N	290.447	4.648	70	10	CJIE	
Cc1ccc([C@@H](CNC(C)C)O[C@@H]2CCC[C@@H](C)C2)cc1	218762445	RXRUVEUFYIPKIK-BHIYHBOVSA-N	289.463	4.629	70	10	CJIE	
CCN[C@H](CSCc1cc(C)cc(C)c1)C1CCCC1	159457719	RRWMXUDIGUDNNF-GOSISDBHSA-N	291.504	4.705	70	10	CJIE	
COC1(c2nc(Cl)cc(C3CCCC3)n2)CCCCC1	160530217	KRBNAZCONUINAC-UHFFFAOYSA-N	294.826	4.593	70	10	CJIE	
Cc1ccc(C)c([C@]2(N)C[C@@H](C)CC[C@H]2C(C)C)c1	217884230	XDRJMRIEMMQTMM-ZVZYQTTQSA-N	259.437	4.550	70	10	CJIE	
C[C@@H]1CCC[C@@H](N[C@H](C)CC(C)(C)c2ccccc2)C1	217998028	FOCXZFOEWWPEIE-JFIYKMOQSA-N	273.464	4.911	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1Cc1cc(F)ccc1C	218290554	XSDUKNGLCRECIR-LZLYRXPVSA-N	291.454	4.727	70	10	CJIE	
CCC[C@@H]1CC[C@H](N)[C@@H](c2ccc3ccccc3c2)C1	218481854	PSSKMFIFBPCYNV-ZMYBRWDISA-N	267.416	4.851	70	10	CJIE	
O=C(NC=C1CCCC1)Nc1c(Cl)cccc1Cl	218774805	ZEMXSOWHUREXDB-UHFFFAOYSA-N	285.174	4.573	70	10	CJIE	
F[B-](F)(F)/C=C\c1ccc(Cl)cc1Br	382600238	NZUFVXAZVXJPPT-ARJAWSKDSA-N	284.291	4.502	70	10	CJIE	
C=C(CCSCc1ccc(Cl)cc1)[B-](F)(F)F	1978061132	UJYUFYHHADLCQD-UHFFFAOYSA-N	279.543	4.906	70	10	CJIE	
CC(C)Cc1nc([C@@H]2CC[C@H](C)C2)sc1CNC(C)C	159849205	QORMPQUJEZYLQV-UONOGXRCSA-N	294.508	4.743	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](O)[C@H]1C[C@@H]2CC[C@@H]1C2	161001429	LJUFNGXBHZVXTR-HAYUQVRISA-N	266.384	4.618	70	10	CJIE	
Cc1ccc([C@H](N)Cc2ccc(C(C)(C)C)cc2)c(C)c1	161251889	XBTJGJOWVMLLHZ-LJQANCHMSA-N	281.443	4.843	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N[C@@H]1CCC[C@@H](C)C1	216625961	HZFQBBGNKXUZEF-HHARLNAUSA-N	251.458	4.616	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(OCCCCC[C@@H]2C[C@H]2C)c1	2284870524	JQMVPZLLLGBXNA-ZIAGYGMSSA-N	299.165	4.645	70	10	CJIE	
CCCCC[C@H](NCCC)c1cccc(OC(F)F)c1	159626473	JBGAQTZHUOIUGR-HNNXBMFYSA-N	285.378	4.909	70	10	CJIE	
Cc1cccc([C@H](O)c2cc3cccc(Cl)c3o2)c1F	159671717	FMLKVOZJRHQGFD-HNNXBMFYSA-N	290.721	4.615	70	10	CJIE	
CCN[C@H](Cc1ccc(F)cc1)c1cccc(C)c1Cl	160356479	SWTZTNCWQCWRNT-MRXNPFEDSA-N	291.797	4.681	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](O)[C@@H]1C[C@@H]2CC[C@@H]1C2	161001306	LJUFNGXBHZVXTR-VWMOJTHMSA-N	266.384	4.618	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1ccc(F)c(F)c1	161364306	VLQICFJOPDKCGP-MRXNPFEDSA-N	265.347	4.506	70	10	CJIE	
CCCN[C@H](C1CCC(CC)CC1)[C@H]1CCCCS1	161458099	QWZVTHJIORJJGO-BHUNQDJPSA-N	283.525	4.857	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1NCc1cc(F)c(F)c(F)c1	217519074	HTHOTMJAIYCOIE-GHJWDPDVSA-N	299.380	4.654	70	10	CJIE	
FC(F)(F)[C@@H]1CCCC[C@H]1N[C@@H](c1ccccc1)C1CC1	217617245	JXKRXVVMCUBYRF-OAGGEKHMSA-N	297.364	4.848	70	10	CJIE	
CN[C@@H]1CCCCCCCCCC[C@@H]1N1CCC[C@@H](C)C1	218594374	XFKLOWCWTBBFNH-QRVBRYPASA-N	294.527	4.590	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](CN)[C@@H](Cc2c(F)cccc2Cl)C1	218781405	SUAMOTYMRAUHMP-HZSPNIEDSA-N	297.845	4.669	70	10	CJIE	
Cc1cc(F)ccc1Oc1ccc(N)c(C(F)(F)F)c1	160501735	CYXTZQIUEBHNPA-UHFFFAOYSA-N	285.240	4.527	70	10	CJIE	
CC(C)(C)/C(O[Si](C)(C)C)=P/[Si](C)(C)C	195761249	VYQYZRNRDVUILQ-UHFFFAOYSA-N	262.482	4.795	70	10	CJIE	
CCCC[C@@H](CC)COc1ccc([B-](F)(F)F)cc1C	203330723	WJZPHEKAYWSXSX-CYBMUJFWSA-N	287.154	4.645	70	10	CJIE	
CC[C@@H]1CCCC[C@H]1N[C@H](c1ccccc1)c1ccco1	217851578	SOKLZILVWQLIOX-SZVBFZGTSA-N	283.415	4.927	70	10	CJIE	
CC(C)=C(CN(C)C[C@@]12CCCC[C@H]1CC2)[B-](F)(F)F	2340151283	AOPUCKBODZOKIR-ZFWWWQNUSA-N	288.186	4.612	70	10	CJIE	
CCCNc1cc(Oc2ccccc2C(F)(F)F)ccn1	159367904	VNGGWHUUGOEOBU-UHFFFAOYSA-N	296.292	4.715	70	10	CJIE	
c1ccc([C@@H]2C[C@@H]2[C@@H]2CCCCC[C@@H]2CNC2CC2)cc1	159671269	FYQNATFXZOVICV-RSPOEFSDSA-N	283.459	4.739	70	10	CJIE	
Cc1cccc([C@@H](N)c2c(C)ccc3ccccc23)c1	160863918	XYJUXPANWDKVMS-LJQANCHMSA-N	261.368	4.505	70	10	CJIE	
CCc1ccc(C[C@H](CCC2CCCCC2)NC)s1	161115739	SZQXOMFBPUUDAC-HNNXBMFYSA-N	279.493	4.802	70	10	CJIE	
CCCCCC(CCCCC)NCCN(CC)C1CC1	217513960	XMJOTAROTNINNB-UHFFFAOYSA-N	282.516	4.590	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1Cc1ccccc1C	217757022	NMZWSAVBMZBDOF-RCCFBDPRSA-N	273.464	4.588	70	10	CJIE	
CC(C)Oc1ccccc1[C@@H](C)N[C@H]1CCCC[C@@H]1C	218482523	XSHIFECSAMQGQZ-UXLLHSPISA-N	275.436	4.703	70	10	CJIE	
F[B-](F)(F)C=Cc1cccc(Cl)c1Br	1912964128	QBVKKAGCGBYQJT-UHFFFAOYSA-N	284.291	4.502	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1C1CCC(C(F)(F)F)CC1	1984461886	IJUBANJLTRBPEH-GEPGNKONSA-N	259.022	4.593	70	10	CJIE	
CCNc1cc(Oc2cccc(C(C)(C)C)c2)ccn1	159378148	LSAWAAVVGGAONR-UHFFFAOYSA-N	270.376	4.603	70	10	CJIE	
CCNCCCCCCc1c(C)ccc2ccccc12	161112482	XYIQTTOTGOALDI-UHFFFAOYSA-N	269.432	4.861	70	10	CJIE	
CCCN[C@@H](CCc1ccsc1)CC1=CCCCC1	161431218	WPCDGBZANWQXRS-KRWDZBQOSA-N	277.477	4.939	70	10	CJIE	
Cc1ccc(-c2cc([C@@H](C)N)cs2)cc1Br	217256111	ARCZKMASXXGRTD-SECBINFHSA-N	296.233	4.506	70	10	CJIE	
C[C@H]1CCC[C@@H](N[C@H](c2ccc(F)cc2)C2CC2)[C@@H]1C	217897718	DRBBIWDIUMCPHT-DECQCQTCSA-N	275.411	4.691	70	10	CJIE	
CCCN[C@@H](c1cc(F)ccc1F)[C@H]1CCC[C@@H](C)C1	218025679	DDGRVRKZBXMCDS-IIYDPXPESA-N	281.390	4.832	70	10	CJIE	
Cc1ccc(F)cc1N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218071860	VXQKSWJDAMTEDV-XGWLTEMNSA-N	261.384	4.761	70	10	CJIE	
O=C1CCc2cc(-c3cc4ccccc4s3)ccc21	218184793	ZRMODYHPTNHYBY-UHFFFAOYSA-N	264.349	4.697	70	10	CJIE	
CC[C@H](N)[C@@H](O[C@@H]1CCC[C@@H](C)C1)c1ccccc1Cl	218273213	YRBUXZRYJIVPLQ-OMNBBPDLSA-N	295.854	4.714	70	10	CJIE	
O=C(N/C=C/C1CCCCC1)Nc1ccccc1Cl	218623707	RQWBVTDSTGSWGZ-ZHACJKMWSA-N	278.783	4.556	70	10	CJIE	
CC(C)c1ccccc1CN1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2194157330	JPWPEYIHPJBLEN-GDBMZVCRSA-N	296.165	4.623	70	10	CJIE	
Cc1cc(C(F)(F)F)sc1[C@H]1C[C@@H]1[B-](F)(F)F	2245924627	ZKDIJXSRIGQCBF-WDSKDSINSA-N	273.030	4.780	70	10	CJIE	
Cc1cc(C)c(N[C@H]2C[C@@H]3CC[C@@H]2C3)c(Br)c1	159563197	CPQSMMTUYNTWGU-BZPMIXESSA-N	294.236	4.666	70	10	CJIE	
Cc1cc([C@@H](O)Cc2ccc(Cl)cc2F)ccc1Cl	160409802	DWDBQPMRLLDWAK-HNNXBMFYSA-N	299.172	4.717	70	10	CJIE	
CCOCc1ccccc1N[C@H]1CCc2ccc(C)cc21	160805396	WDONQCWJEFAUKA-IBGZPJMESA-N	281.399	4.631	70	10	CJIE	
Cc1ccc(C(=O)c2c(C)ccc3ccccc23)cc1F	160814353	RHRJLEBVCQEFQM-UHFFFAOYSA-N	278.326	4.827	70	10	CJIE	
CCCN[C@H](CC1CCCCC1)c1cccc(F)c1F	161082729	MNWSGVVANJSBEC-MRXNPFEDSA-N	281.390	4.976	70	10	CJIE	
Cc1ccccc1C[C@H](N)c1cc2ccc(F)cc2s1	161172768	BTSXRXJXDPTLLT-HNNXBMFYSA-N	285.387	4.591	70	10	CJIE	
CC[C@H](N[C@H]1C[C@@H](C)CC[C@@H]1C(C)C)c1ccco1	217525436	HUNZIXNXTMRDIT-FZKCQIBNSA-N	263.425	4.781	70	10	CJIE	
CCCOc1ccc([C@H](NC)[C@@H]2CCC[C@@H](C)C2)cc1	217970021	SGILMGZSQKMJBF-KYJSFNMBSA-N	275.436	4.562	70	10	CJIE	
CCN[C@@H](c1ccc(CC)cc1)[C@@H]1CCC[C@@H](C)C1	218003148	HRLCQYYECUOBNQ-OLMNPRSZSA-N	259.437	4.726	70	10	CJIE	
C=CCCCCCCOc1cc(C)cc([B-](F)(F)F)c1C	2206899335	XGGMRVRJQFLANK-UHFFFAOYSA-N	299.165	4.873	70	10	CJIE	
C[C@@]1([B-](F)(F)F)CCN(C[C@]2(C)CCCCC2(F)F)C1	2342554200	IOUBNXQLIFTRJF-NWDGAFQWSA-N	298.128	4.515	70	10	CJIE	
CCCN[C@H](C1=CCCCO1)C1CCC(C(C)C)CC1	160044231	SMFBBUJEHLYGQE-HTWSVDAQSA-N	279.468	4.511	70	10	CJIE	
CCCc1cc(Cl)nc([C@H](OCC)C2CCCCC2)n1	160370257	JWHUICPSDQUKSC-OAHLLOKOSA-N	296.842	4.740	70	10	CJIE	
Cc1cc(F)ccc1Oc1ccccc1CNC(C)(C)C	160601402	FOJKDKXFOLIMGX-UHFFFAOYSA-N	287.378	4.815	70	10	CJIE	
C[C@H]1CCC[C@H](N[C@H](c2ccccc2)C2CC2)[C@@H]1C	218077841	MWJOPUUVBKVYFT-IHETXDGRSA-N	257.421	4.552	70	10	CJIE	
C1=C[C@@H]2[C@H](C1)C[C@H]2Nc1ccc(-c2ccccc2)cc1	218173616	OCFDYEJIEUCWBR-BHIYHBOVSA-N	261.368	4.730	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@H](O)[C@@H](Cc2ccccc2Cl)C1	218308428	HDMNPHBOKGLILQ-DZKIICNBSA-N	280.839	4.706	70	10	CJIE	
CCSCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12	160332913	RTAGUEUGYONONP-LLVKDONJSA-N	294.851	4.832	70	10	CJIE	
CCCN[C@@H](Cc1ccc(F)cc1Cl)[C@@H](C)C(C)C	160544201	ICBXZTKMICNSKQ-LRDDRELGSA-N	285.834	4.682	70	10	CJIE	
CCOC1(C(=O)c2cccc(C)c2C)CCCCCC1	161359639	MYIYQVRSXZDIPW-UHFFFAOYSA-N	274.404	4.616	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)c1cc(C)ccc1OC	161385011	UXROTABFCCRBFL-SFHVURJKSA-N	287.447	4.935	70	10	CJIE	
C[C@@H](CCN[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)c1ccccc1	217574111	FFCNMLLQBIKPHH-QYEVSOCMSA-N	283.459	4.595	70	10	CJIE	
CCCCN([C@H](C)CC)[C@H](c1ccc(C)cc1)[C@@H](N)CC	217829883	YNBCVEVAZZULSX-NZSAHSFTSA-N	290.495	4.674	70	10	CJIE	
Cc1nc([C@H](C)N[C@H]2C[C@@H](C)CC[C@H]2C(C)C)c(C)s1	217860962	IHMPERAPWXCCFS-APYUEPQZSA-N	294.508	4.871	70	10	CJIE	
CCc1ccc(N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1	218072465	QCWKXVQMACIZEF-QGPMSJSTSA-N	257.421	4.876	70	10	CJIE	
CCC[C@@H](C)N(C)C[C@@H](NCC)c1ccc(C(C)C)cc1	218644659	CDWYZHHRQLQUBO-VQIMIIECSA-N	290.495	4.581	70	10	CJIE	
Cc1cc(Br)sc1[C@H]1C[C@H]1[B-](F)(F)F	1882176518	HTQOWJMBHAMNEM-NTSWFWBYSA-N	283.929	4.524	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1OCCCCCCC1CC1	2234160009	JJCXBVZYMWUVMF-UHFFFAOYSA-N	299.165	4.789	70	10	CJIE	
FC(F)(F)c1ccc([C@H]2CCNC[C@H]2C2CCCC2)cc1	160121522	ZFZSIXWWXMGMNW-CVEARBPZSA-N	297.364	4.589	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](Nc1ccccc1OC(F)F)CC2	160762577	SHQJHMPEPMHUQT-AWEZNQCLSA-N	289.325	4.696	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](O)c1cc(F)cc(F)c1	161005215	ILCVOIUMWQHLBI-SFHVURJKSA-N	284.305	4.508	70	10	CJIE	
CCCCN([C@H](c1ccc(C)s1)[C@@H](N)CC)[C@H](C)CC	217831103	CXHLODLGQCYGBH-KMFMINBZSA-N	296.524	4.736	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCCNCC1CCCCC1	217894991	GMOJDAPDUOJYBG-QRQLOZEOSA-N	295.511	4.634	70	10	CJIE	
CCc1ccc([C@@H](C)N[C@H]2CCC[C@@H](C)[C@@H]2C)s1	218077424	KPMLDFFJGDZJSH-COMQUAJESA-N	265.466	4.786	70	10	CJIE	
CCCN[C@H](CCC(C)C)c1cccc(OC2CC2)c1	159577277	AZDNSVLXJYDLAZ-GOSISDBHSA-N	275.436	4.705	70	10	CJIE	
C1=C([C@H](CNC2CC2)C2CCCCCC2)CCCC1	161459241	AGMCAMWPPDKHIE-GOSISDBHSA-N	261.453	4.825	70	10	CJIE	
CCOc1cccc(N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1	218106446	AFAYDNVSWQNGRI-FDQGKXFDSA-N	273.420	4.712	70	10	CJIE	
CC(C)Oc1ccc([C@@H](C)NC[C@@H]2CCCC[C@@H]2C)cc1	218161156	LYOFGAQQCUXIBM-JZXOWHBKSA-N	289.463	4.951	70	10	CJIE	
C[C@H]1CCCC[C@@H]1CN[C@H](C)c1nc2ccccc2s1	218417121	HAFHARNPCMKAEG-BFHYXJOUSA-N	288.460	4.773	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](c2ccc(C)c(C)c2)C1	218757984	OMIDUGOMUHCYJR-KBAYOESNSA-N	259.437	4.562	70	10	CJIE	
Cc1c(C=C[B-](F)(F)F)ccc(Cl)c1Cl	1889192685	IMRWLOWRBMDNGV-UHFFFAOYSA-N	253.867	4.702	70	10	CJIE	
C=C(CCN(CC(C)C)C1CCCCC1)[B-](F)(F)F	2076584343	DRJXJGYCNSTBQA-UHFFFAOYSA-N	276.175	4.610	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(OCC2(C(C)(C)C)CCC2)c1	2191982616	BCGVEAXPXXWTEE-UHFFFAOYSA-N	299.165	4.645	70	10	CJIE	
O[C@H](c1cc2c(s1)CCCCC2)[C@@H]1C[C@@H]1c1ccccc1	160053071	XFMGVPSWYWJUBI-MDZRGWNJSA-N	298.451	4.854	70	10	CJIE	
Cc1ccc(C)c([C@H](N)c2c(C)ccc3ccccc23)c1	160861836	YXICGRQVNBAHBW-FQEVSTJZSA-N	275.395	4.813	70	10	CJIE	
CCC[C@@](C)(CNC(C)(C)C)C[C@H]1CCC(C)(C)O1	160902892	TVSSGJWAKBWTEI-RHSMWYFYSA-N	269.473	4.529	70	10	CJIE	
CC[C@@H]1CC[C@H](CNC(C)(C)C)[C@H](c2cncc(C)c2)C1	161034161	JNLNQXAHDADMRT-JFIYKMOQSA-N	288.479	4.688	70	10	CJIE	
O=C(CC1=CCCCC1)c1cccc2ccsc12	161037659	PKPKECZBRNSEAC-UHFFFAOYSA-N	256.370	4.975	70	10	CJIE	
Cc1cc2oc(CNCC(C)C)c(CC(C)C)c2cc1C	161245522	QBONNTJFDNTDNF-UHFFFAOYSA-N	287.447	4.994	70	10	CJIE	
CCc1ccccc1[C@H](N)Cc1ccc(C(C)(C)C)cc1	161286709	YMQPQVGSTLPAMN-LJQANCHMSA-N	281.443	4.789	70	10	CJIE	
C[C@@H]1CCCc2[nH]c([C@H]3CCC[C@H](C(F)(F)F)C3)nc21	216972258	GEJNEHGTUZPFKJ-VWYCJHECSA-N	286.341	4.686	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)C)C[C@@H]1Cc1ccc(Cl)cc1	217792412	NIRVGPTWTHFOBF-YQQAZPJKSA-N	279.855	4.543	70	10	CJIE	
CCCc1ccc([C@H](NC)[C@@H]2CCC[C@@H](C)C2)cc1	217970348	UTVGHEKZWXPFHZ-OLMNPRSZSA-N	259.437	4.726	70	10	CJIE	
CSc1ccccc1N[C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218063770	PLSYJAJVRQRLOE-JTTNIQEDSA-N	273.445	4.645	70	10	CJIE	
CCN(C(=O)N/C=C/C1CCCCC1)c1cccc(C)c1	218654883	YFJXIHGPRQMBMI-OUKQBFOZSA-N	286.419	4.625	70	10	CJIE	
CC(C)=C(CN1[C@H]2CCC[C@H]1CC1(CC1)C2)[B-](F)(F)F	2340155449	OUMDNBABIMLVSL-STQMWFEESA-N	286.170	4.507	70	10	CJIE	
CC(C)CNCC1([C@H]2C[C@@H]2c2ccccc2)CCCC1	159415358	BIEPRJIOHGRDJJ-MSOLQXFVSA-N	271.448	4.596	70	10	CJIE	
CCCCC[C@H](NC)C1(OCC)CCC(C)(C)CC1	159898538	YHFUQDIZDABSEU-HNNXBMFYSA-N	269.473	4.530	70	10	CJIE	
N[C@@H](c1ccc(Cl)cc1)c1cc2cccc(Cl)c2o1	159907028	LTRKEUDLMCHATO-AWEZNQCLSA-N	292.165	4.788	70	10	CJIE	
CCSCC[C@@H](C)NCc1ccc(CC(C)C)cc1	159974486	FTXMORXKLJWTCR-OAHLLOKOSA-N	279.493	4.506	70	10	CJIE	
CC(C)Cc1nc(C(C)(C)C)sc1CNC(C)(C)C	159981987	MGFINIZUKYVBDU-UHFFFAOYSA-N	282.497	4.527	70	10	CJIE	
CCN[C@H](c1ccc(C)cc1)C1C2CC3CC(C2)CC1C3	160136742	QTQGVMACVUJBOQ-DQBYHPFJSA-N	283.459	4.718	70	10	CJIE	
CCN[C@@H](c1cc(C)ccc1C)c1cccc(C)c1Cl	160297253	NXAIANJCSWWBHB-GOSISDBHSA-N	287.834	4.964	70	10	CJIE	
CC[C@H](c1ccccc1)[C@H](O)Cc1ccc(Cl)cc1F	160387746	QXXLEIZQAIAQCW-NVXWUHKLSA-N	292.781	4.576	70	10	CJIE	
CN(C)c1cccc(N[C@@H]2CCc3cc(Cl)ccc32)c1	161119986	PHFXLGZVYLWQSU-QGZVFWFLSA-N	286.806	4.505	70	10	CJIE	
CN[C@H](CC1=CCCCC1)c1ccc(C(C)C)cc1	161244795	LZTWUJAMQVWJTL-GOSISDBHSA-N	257.421	4.961	70	10	CJIE	
CC[C@H](C)C[C@H](Cc1ccc(C(C)(C)C)cc1)NC	161266631	ZLCJFZAPHVPFOI-WMLDXEAASA-N	261.453	4.551	70	10	CJIE	
C[C@H](CC(C)(C)c1ccccc1)NCCCC1CC1	161471831	SDTJRWGMJJXWJK-OAHLLOKOSA-N	259.437	4.523	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@H](N)[C@@H](Cc2c(F)cccc2Cl)C1	217743459	BZWHLMPTDMSMMS-WQGACYEGSA-N	297.845	4.811	70	10	CJIE	
CC[C@H]1CC[C@H](CN)[C@@H](Cc2c(C)cc(C)cc2C)C1	218675997	WYSFNARRKJZZOW-RCCFBDPRSA-N	273.464	4.556	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(OC[C@@H](C)CC(C)(C)C)c1	709115017	TTWUMZQMPGZNGE-LBPRGKRZSA-N	287.154	4.501	70	10	CJIE	
CCc1ccsc1[C@H](O)c1cc2cccc(Cl)c2o1	159676890	IQDIYWWPMKCZFV-CYBMUJFWSA-N	292.787	4.792	70	10	CJIE	
Fc1ccc([C@H]2CNc3ccc(Cl)cc3O2)c(Cl)c1	160560918	HZZFDNJXVBRFEE-CQSZACIVSA-N	298.144	4.678	70	10	CJIE	
CCCCC1CCC(c2nc3c([nH]2)CCCC3)CC1	216966015	RNOBKZWMGVISME-UHFFFAOYSA-N	260.425	4.753	70	10	CJIE	
C[C@H]1CC[C@@H](Nc2cc(Cl)nc(C(C)(C)C)n2)[C@@H](C)C1	217459685	NADLUFVCBWOAND-SDDRHHMPSA-N	295.858	4.664	70	10	CJIE	
CC(C)=C(CSCc1ccc(Cl)o1)[B-](F)(F)F	1901700513	LRLKURFZLZFFAL-UHFFFAOYSA-N	283.531	4.889	70	10	CJIE	
C[C@@H]1C[C@H]1CCCCCN1CCC[C@@H]([B-](F)(F)F)C1	2257294095	STDYNOKCBRWRLC-MGPQQGTHSA-N	276.175	4.516	70	10	CJIE	
CC(C)=C(CN1CC[C@H]2CCCCC[C@@H]2C1)[B-](F)(F)F	2340327424	CLOGBBZRFICTCN-ZIAGYGMSSA-N	288.186	4.612	70	10	CJIE	
CCCCCCCCCC(=O)N1CC[C@@H]([B-](F)(F)F)C1	2342486440	VMPYGKOZGKZDLM-CYBMUJFWSA-N	292.174	4.577	70	10	CJIE	
C[C@H](Br)CC1c2ccccc2-c2ccccc21	142250645	OODLEFUFIGVJAM-NSHDSACASA-N	287.200	4.972	70	10	CJIE	
CCC[C@@H](Nc1ccc(F)c(OC)c1)c1ccccc1	159982786	YNIOXYNTKUTHIZ-MRXNPFEDSA-N	273.351	4.788	70	10	CJIE	
CCCOc1ccc([C@@H](C)N[C@@H](C)CCSCC)cc1	160052144	ZVGLFDSNOXICIO-LSDHHAIUSA-N	295.492	4.658	70	10	CJIE	
CCCN[C@@H](C1=CCCC1)C1C2CC3CC(C2)CC1C3	160144745	NAHAYQWGNOMFFY-RUMSHHPPSA-N	273.464	4.537	70	10	CJIE	
CN[C@H](Cc1ccc(F)cc1Cl)C[C@H](C)C(C)(C)C	160617050	WDZBVBRBRDULQL-FZMZJTMJSA-N	285.834	4.682	70	10	CJIE	
COc1c(C)ccc(N[C@H]2CCc3ccc(C)cc32)c1C	160800551	LZGFWVCGRZMULO-SFHVURJKSA-N	281.399	4.720	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)s1)c1cc(C)ccc1C	161207661	FNZKQCBQLRIUJY-GOSISDBHSA-N	287.472	4.821	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)C1C[C@@H](C)C[C@H](C)C1	161308443	BBTNBPJFWJDKBZ-RLFYNMQTSA-N	263.469	4.927	70	10	CJIE	
CCN[C@H](c1cc(Cl)ccc1OC)[C@@H]1CCC[C@@H](C)C1	217977838	DHLXFIRMVIPPRQ-XNJGSVPQSA-N	295.854	4.826	70	10	CJIE	
CC[C@@H](C)C[C@@H](CC)N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218015821	YEGDCJSASIQRJK-LSIGDULCSA-N	263.469	4.616	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCc1ccc(Cl)cc1N	218249997	JWTNYQISHFJQCH-VMGRFDJRSA-N	295.854	4.900	70	10	CJIE	
Cc1cc(C)c(NC(=O)NC=C2CCCC2)c(Cl)c1	218774587	BQAIOAZRITYKEZ-UHFFFAOYSA-N	278.783	4.536	70	10	CJIE	
Cc1cc(OCC2CCC(C)CC2)c(C)c([B-](F)(F)F)c1	686553754	MYWVCLVDCWMSNF-UHFFFAOYSA-N	299.165	4.563	70	10	CJIE	
C=C(CCOCc1cccc(Cl)c1Cl)[B-](F)(F)F	2301345672	IOOSVMHAVGXWOW-UHFFFAOYSA-N	297.920	4.843	70	10	CJIE	
CCCC[C@@](CC)(CNC1CC1)C[C@@H]1CCC(C)(C)O1	160906331	OVTSTOKXWSKPON-FUHWJXTLSA-N	281.484	4.673	70	10	CJIE	
Cc1ccc(N[C@H]2CCCc3sccc32)cc1N(C)C	161211374	LCUQIJIYUAQYCG-HNNXBMFYSA-N	286.444	4.612	70	10	CJIE	
CC[C@@H](C)c1ccc(C(=O)c2cc(OC)cs2)cc1	161428932	YHICKXZDBCRKGX-LLVKDONJSA-N	274.385	4.501	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1N[C@H](CC)c1ccc(OC)cc1	217849537	NTRNQAGFZPPTMH-QGTPRVQTSA-N	275.436	4.705	70	10	CJIE	
Cc1ccc(F)c(N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1	218094160	QFJLVEPFHXRALS-XGWLTEMNSA-N	261.384	4.761	70	10	CJIE	
CCc1ccc(C[C@@H](CCC2CCCCC2)NC)s1	161115664	SZQXOMFBPUUDAC-OAHLLOKOSA-N	279.493	4.802	70	10	CJIE	
CCc1cccc2c(CC(C)C)c(CNCC(C)C)oc12	161421789	LSCFJHNKQINHFB-UHFFFAOYSA-N	287.447	4.939	70	10	CJIE	
CN[C@H]1CC[C@H](C(C)(C)C)C[C@@H]1Cc1ccc(Cl)cc1	217759151	LEIBYXQNELZNSG-ZOBUZTSGSA-N	293.882	4.933	70	10	CJIE	
C[C@@H](F)c1cc2cc(Br)ccc2s1	218331352	HBETZWUHAYGHLA-ZCFIWIBFSA-N	259.143	4.694	70	10	CJIE	
F[B-](F)(F)/C=C/c1ccccc1SC(F)(F)F	309639370	BCYHVJCQPKIEBU-AATRIKPKSA-N	271.014	4.698	70	10	CJIE	
O[C@@H](CCC1CCCCC1)c1cc2cc(F)ccc2o1	159399825	WBHJUEXGGYCRFV-HNNXBMFYSA-N	276.351	4.966	70	10	CJIE	
COc1cc(NCc2ccc(C(C)(C)C)s2)ccc1F	160008249	FLVNTOCGCSJTRC-UHFFFAOYSA-N	293.407	4.805	70	10	CJIE	
CCN[C@H](c1ccc(CC)cc1)c1cccc(C)c1Cl	160298300	NOZYWJRKSYQFFE-GOSISDBHSA-N	287.834	4.910	70	10	CJIE	
CN[C@H](CC1=CCCCC1)Cc1ccc(C(F)(F)F)cc1	161242098	IOURXVZCOUNTMP-MRXNPFEDSA-N	297.364	4.726	70	10	CJIE	
CCCc1c(CNC2CC2)oc2c(Cl)cc(C)cc12	161458194	KJRSTXJUIGABFP-UHFFFAOYSA-N	277.795	4.599	70	10	CJIE	
C[C@H]1CCCC[C@H]1N[C@H](C)c1ccc(F)cc1Cl	217862593	FRSVXPHOZSVSBQ-FIXISWKDSA-N	269.791	4.708	70	10	CJIE	
CC[C@H](C)[C@@H](c1ccccc1)[C@@H](N)C1=CCCCC1	217882705	GHWGMIPWOROVPR-WBAXXEDZSA-N	257.421	4.644	70	10	CJIE	
CC(C)(C)c1ccc([C@]2(N)C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1	217894711	XVUHYOWLZIMQEE-WSKARLGFSA-N	283.459	4.594	70	10	CJIE	
CCCN[C@@H](Cc1cccc(F)c1F)[C@@H]1CCC[C@@H](C)C1	218021495	HKGRBSXXGGTWBD-CPUCHLNUSA-N	295.417	4.702	70	10	CJIE	
Cc1ccc(/C=C/NC(=O)Nc2ccc(C(C)C)cc2)cc1	218096312	KMOVVLWPSVJBPZ-OUKQBFOZSA-N	294.398	4.911	70	10	CJIE	
Cc1ccccc1C[C@@H](C)N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218101029	IWLQPYVGDXQWOP-MJKGWSOKSA-N	285.475	4.730	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1cccnc1Cl	218126927	MKDZNPSRHMMUIE-SCRDCRAPSA-N	266.816	4.608	70	10	CJIE	
CCC[C@@H]1CC[C@@H](N)[C@@H](c2cccc(C(F)(F)F)c2)C1	218497350	JVAKDVHFVQZKTB-KCPJHIHWSA-N	285.353	4.717	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(OC[C@@H]2CCCC(C)(C)C2)c1	2203134473	PVHNUJIGDPNOGE-CYBMUJFWSA-N	299.165	4.645	70	10	CJIE	
CC[C@H]1CC[C@H](CN(C)CC(=C(C)C)[B-](F)(F)F)CC1	2340156349	KKHWCROGWUREOT-HDJSIYSDSA-N	290.202	4.858	70	10	CJIE	
CC(C)=C(CN1c2ccccc2CC[C@H]1C)[B-](F)(F)F	2340334498	OFVMZYUMEBEKAY-GFCCVEGCSA-N	282.138	4.551	70	10	CJIE	
CCCN[C@H](CC(C)(C)C)c1ccc(OC2CC2)cc1	159562392	PHBWULPNDASMHW-QGZVFWFLSA-N	275.436	4.705	70	10	CJIE	
CCCN[C@@H](c1ccc(C)o1)C1C2CC3CC(C2)CC1C3	160143256	DYGJCMADGJFTOZ-FHXYWRNYSA-N	287.447	4.701	70	10	CJIE	
Cc1ccc2ccccc2c1-c1cccc([C@H](C)N)c1	160956957	JKYWTTZQNXZIKY-AWEZNQCLSA-N	261.368	4.835	70	10	CJIE	
CCC[C@@H](Nc1cccc(N(C)C)c1)c1ccccc1	161111267	RTILKEFBVGSJML-GOSISDBHSA-N	268.404	4.706	70	10	CJIE	
CN[C@@H](c1ccc(C(C)(C)C)cc1)[C@H]1CCCCS1	161293045	DUJRGVDMHFYFDU-CVEARBPZSA-N	277.477	4.530	70	10	CJIE	
CC(C)c1ccc2oc(CNC3CC3)c(C(C)C)c2c1	161364089	WOVPELMUOGYMRX-UHFFFAOYSA-N	271.404	4.932	70	10	CJIE	
CCCN[C@H](CCc1cccs1)CC1=CCCCC1	161383543	VOLJBIPJOISAPN-MRXNPFEDSA-N	277.477	4.939	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc([C@H](N)CC(F)(F)F)ccc21	161484472	KMJHHMADFXEAIC-CQSZACIVSA-N	299.380	4.988	70	10	CJIE	
Cc1ccc(C)c(CN[C@H]2C[C@H](C)CC[C@H]2C(C)C)c1	217520664	XKKUATKFJNTPCD-MNEFBYGVSA-N	273.464	4.854	70	10	CJIE	
CCCCN([C@@H](C)CC)[C@@H](CC)[C@@H](NC)c1ccccc1	218700224	NZGSCUKOMYWJPI-WDSOQIARSA-N	290.495	4.626	70	10	CJIE	
CCCNCc1sc([C@@H]2CCC[C@H](C)C2)nc1C1CC1	159502916	IHHGARDVVQJYKZ-GXTWGEPZSA-N	292.492	4.814	70	10	CJIE	
CCCc1cccc([C@@H](O)c2cccc(C)c2Cl)c1	159829942	MKQMKVHBHPHIPD-QGZVFWFLSA-N	274.791	4.683	70	10	CJIE	
CCN[C@H](C1=CCCCCC1)C1C2CC3CC(C2)CC1C3	160145211	HKIJKHXTLOCNRJ-DQBYHPFJSA-N	287.491	4.927	70	10	CJIE	
CCOc1ccc(NCc2cc(F)cc(Cl)c2)cc1F	160979121	GCGDYSYDIDDISH-UHFFFAOYSA-N	297.732	4.629	70	10	CJIE	
C/C=C\c1ccccc1OCCCCCCNC(C)C	217133505	GRJSWZPWQYCBPK-WCIBSUBMSA-N	275.436	4.657	70	10	CJIE	
CCCCCN(C(C)C)[C@H](c1ccc(C)s1)[C@@H](N)CC	217826482	JOEJXHYMVIOIPB-RDJZCZTQSA-N	296.524	4.736	70	10	CJIE	
C[C@H]1CCC[C@@H]([C@@H](N)c2ccc(Cl)c(Cl)c2)C1	217958736	KZMXAAXVYYGAKW-IMSIIYSGSA-N	272.219	4.820	70	10	CJIE	
C[C@@H]1CC[C@@H](CN)[C@@H](c2ccc(-c3ccccc3)cc2)C1	218591831	PDWQUQPELNSIBD-UIAACRFSSA-N	279.427	4.832	70	10	CJIE	
CCCNC[C@@]1(O[C@@H]2CCC[C@@H](C)C2)CCC[C@H](C)C1	218761946	JPJGULIGZUXMOS-XMTFNYHQSA-N	281.484	4.530	70	10	CJIE	
CC1(C)C([C@@H](O)c2ccccc2C2CCC2)C1(C)C	160011157	LUTZRZQOYFTOIW-HNNXBMFYSA-N	258.405	4.670	70	10	CJIE	
CCCc1cc(Cl)nc([C@@H](OCC)C2CCCCC2)n1	160370403	JWHUICPSDQUKSC-HNNXBMFYSA-N	296.842	4.740	70	10	CJIE	
CCC[C@H]1CCC[C@@H](Nc2cccc(N(C)C)c2)CC1	161127967	FKCPIZUBJSPWQW-JKSUJKDBSA-N	274.452	4.914	70	10	CJIE	
N[C@@H](CC1=CCCCC1)C[C@@H]1CCCc2ccccc21	161198607	LQAKIZFEQYNDPS-ROUUACIJSA-N	269.432	4.714	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)Cc1ccc(F)cc1Cl	161322054	HMQOSCSTCFBTQY-MRXNPFEDSA-N	295.829	4.890	70	10	CJIE	
C[C@@H]1C[C@@H]1[C@H](O)c1ccc2c(c1)C(C)(C)CCC2(C)C	161502337	LGUFCHXLZOQFNF-HACGYAERSA-N	272.432	4.725	70	10	CJIE	
CC[C@H]1CCCC[C@H]1N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	217518016	YPJKDHGKALCLJJ-ZNFSNMQZSA-N	263.469	4.760	70	10	CJIE	
c1ccc2c(CN[C@H]3C[C@@H]4C[C@@H]3[C@@H]3CCC[C@@H]43)csc2c1	217576629	GCVZWMUMIPFYLV-SHWZHROSSA-N	297.467	4.816	70	10	CJIE	
CC[C@H](N)[C@H](S[C@H](C)CC)c1ccc(Cl)s1	217934936	OOJJRFLUPNLBDB-PTRXPTGYSA-N	277.886	4.712	70	10	CJIE	
Cc1nc(C)c([C@H](C)N[C@H]2C[C@H](C)CC[C@H]2C(C)C)s1	218125549	UYIWIRUJAIKIJL-XTBFLFJDSA-N	294.508	4.871	70	10	CJIE	
CCN[C@H]1CCCCCCCCCC[C@@H]1N(C)[C@@H](C)CC	218625671	XTTCKIKPXZRYEI-FHWLQOOXSA-N	296.543	4.978	70	10	CJIE	
CC1(C)CCC[C@H](CN2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)C1	2138382927	HAJTXTRHBVTNAY-KCQAQPDRSA-N	288.186	4.516	70	10	CJIE	
C=C(CCO[C@H](CCC)c1ccccc1)[B-](F)(F)F	2318152942	LWWQKVKBDRMPSO-CQSZACIVSA-N	271.111	4.877	70	10	CJIE	
Cc1ccc([C@H]2CNc3ccc(Cl)cc3O2)c(C)c1	160580480	OHJFRYMGGXDSOO-MRXNPFEDSA-N	273.763	4.502	70	10	CJIE	
CCc1ccc([C@@H](NC)c2cc3ccc(F)cc3s2)o1	161151147	QPGNYIXTXRCFKP-MRXNPFEDSA-N	289.375	4.505	70	10	CJIE	
CSc1ccccc1N[C@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218063844	PLSYJAJVRQRLOE-SGPHBRAGSA-N	273.445	4.645	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N[C@@H]1C[C@@H]1c1ccccc1	218171981	KIVWOBMJDAOCGQ-RXABAKJHSA-N	271.448	4.593	70	10	CJIE	
CCCN[C@H]1CC[C@H](CCC)C[C@@H]1N(C)[C@@H](C)CC(C)C	218694699	HUSPOLCZJAIRBX-VJANTYMQSA-N	296.543	4.690	70	10	CJIE	
C=CCCCCCCCOc1cccc([B-](F)(F)F)c1	2227285699	GIKFAGLJADXFKJ-UHFFFAOYSA-N	285.138	4.646	70	10	CJIE	
CC(C)=C(CO[C@H]1CC(C)(C)C1(C)C)[B-](F)(F)F	2301964366	JTJZPGKFOCBHKQ-NSHDSACASA-N	263.132	4.551	70	10	CJIE	
CCC[C@H]1CCC[C@@](O)(c2cccc3[nH]ccc23)CC1	159451790	HXJWUCHIJXFALB-KSSFIOAISA-N	271.404	4.736	70	10	CJIE	
CCOCc1ccccc1NCc1coc2ccccc12	159816846	RRYXUWKSCUDEGU-UHFFFAOYSA-N	281.355	4.581	70	10	CJIE	
CCC[C@H](C)[C@H](NC)c1c(C)ccc2ccccc12	160883775	KSLNZCRRTQKVHY-KSSFIOAISA-N	255.405	4.845	70	10	CJIE	
CCC[C@H]1CCC[C@H](Nc2cccc(N(C)C)c2)CC1	161127725	FKCPIZUBJSPWQW-HOTGVXAUSA-N	274.452	4.914	70	10	CJIE	
Cc1ccc(N[C@H](c2ccccc2)C2CC2)cc1N(C)C	161144499	YTSHYINBEWOSCS-LJQANCHMSA-N	280.415	4.624	70	10	CJIE	
CCO[C@@H](C(=O)CCCc1ccccc1)C1CCCCC1	161439209	ZKRIEFSZXXVYTH-LJQANCHMSA-N	288.431	4.564	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc(-c3ccc(N)nc3)ccc21	161493266	PQNRDHCHEZBFQB-UHFFFAOYSA-N	280.415	4.680	70	10	CJIE	
CCC[C@@H]1CC[C@@H](N)[C@@H](Cc2c(C)cc(C)cc2C)C1	217680401	HYWCICKCAGBPAI-ZHALLVOQSA-N	273.464	4.698	70	10	CJIE	
CCCN[C@@H](C)c1c(F)cccc1N(C)[C@@H](C)CCC	218309641	MUIAUKOEULJACS-KBPBESRZSA-N	280.431	4.511	70	10	CJIE	
CC(C)=C(COC[C@H]1CC12CCCCC2)[B-](F)(F)F	2317863724	MYUJCGOHABJXRH-GFCCVEGCSA-N	275.143	4.696	70	10	CJIE	
C[C@@H](C[C@H](O)c1cc2cccc(F)c2o1)C(C)(C)C	159514403	BUKHXRDWJCWWBN-GWCFXTLKSA-N	264.340	4.678	70	10	CJIE	
CCOC1(c2nc(Cl)cc(C(C)C)n2)CCCCCC1	160381670	QCXTWAUWBXNSTF-UHFFFAOYSA-N	296.842	4.839	70	10	CJIE	
CCOC1(C(=O)C2C[C@@H](C)C[C@H](C)C2)CCC(C)CC1	160980356	DNCPILNVXPIMMZ-DIODGJHASA-N	280.452	4.613	70	10	CJIE	
Cc1cccc([C@@H](N)Cc2ccc(C(C)(C)C)cc2)c1C	161288868	ZFBMLOXUVIQYGG-IBGZPJMESA-N	281.443	4.843	70	10	CJIE	
CCc1ccc([C@H](Cc2ccc(C(C)(C)C)cc2)NC)o1	161290935	FNDPUSOTJOPUCQ-KRWDZBQOSA-N	285.431	4.643	70	10	CJIE	
CN[C@H](CC1=CCCCC1)Cc1cccc(C(F)(F)F)c1	161291404	MAMKBCKKCPJJEL-MRXNPFEDSA-N	297.364	4.726	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)C)C[C@@H]1Cc1cc(C)cc(C)c1	217785196	KHJKPVZZMGXIEW-CEXWTWQISA-N	273.464	4.506	70	10	CJIE	
C[C@@H](Cl)CCOc1ccccc1-c1ccccc1	82170873	GSWLLKDXDNHDIB-CYBMUJFWSA-N	260.764	4.750	70	10	CJIE	
BrCCCc1cccc(-c2ccccc2)c1	113073144	MKEPPXOLDGYUAF-UHFFFAOYSA-N	275.189	4.681	70	10	CJIE	
CC[C@@H](NCc1coc2ccccc12)C1CCCCC1	161100410	GYHISNQJEREEQI-QGZVFWFLSA-N	271.404	4.881	70	10	CJIE	
Cc1ccc(NCc2csc3ccccc23)cc1N(C)C	161196430	YVKGKSYUBHQVJW-UHFFFAOYSA-N	296.439	4.888	70	10	CJIE	
CN[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1CCC(C)C	217768376	CPSSWFFEEZHRRR-OKZBNKHCSA-N	259.437	4.595	70	10	CJIE	
CCCN[C@@H](CCc1ccccc1)[C@H]1CCC[C@@H](C)C1	218032458	WKUYCHIUHDGBOZ-NEWSRXKRSA-N	273.464	4.814	70	10	CJIE	
CCC[C@@H]1CC[C@H](O)[C@H](O[C@@H]2C[C@@H](C)CC(C)(C)C2)C1	218553921	ORLNILKQNYLEOP-OVYGPGRDSA-N	282.468	4.548	70	10	CJIE	
CC(C)CNCC1([C@H]2C[C@@H]2c2ccccc2)CCCCC1	159410892	HZXRCFKUAARJEG-MOPGFXCFSA-N	285.475	4.986	70	10	CJIE	
CCC[C@H](C)C[C@@H](O)c1ccc(Cl)c2cccnc12	160426849	QIYFOBSRSBBZGT-XHDPSFHLSA-N	277.795	4.748	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](Nc1cc(F)cc(F)c1F)CC2	160823947	ROONPNIFMYBVPO-AWEZNQCLSA-N	277.289	4.512	70	10	CJIE	
CC(C)[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1F	160873816	ZVLWBNAEJVLBNW-HOCLYGCPSA-N	283.818	4.784	70	10	CJIE	
CCNC[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1c1cncc(C)c1	161039666	SBVOXCORBTUVDI-SZMVWBNQSA-N	288.479	4.546	70	10	CJIE	
Cc1ccc2ccccc2c1C(C)(C)CCNC1CC1	161115396	DAIHGWIMZGMTFE-UHFFFAOYSA-N	267.416	4.568	70	10	CJIE	
CCOC1(C(=O)[C@@H]2CCCC[C@@H]2CC)CCCCCC1	161336997	MCIFZBDHIYKGBC-JKSUJKDBSA-N	280.452	4.901	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)c1ccc(F)cc1	161422301	SNNICOJUPAAVRT-KRWDZBQOSA-N	261.384	4.757	70	10	CJIE	
Cc1ccc(Cl)c2c(CC(C)C)c(CNC3CC3)oc12	161495594	OQIKHUCSWKQRJD-UHFFFAOYSA-N	291.822	4.845	70	10	CJIE	
CC[C@H]1CC[C@@H](N)[C@@H](Cc2ccc(C(C)C)cc2)C1	217634825	RPLLGNBHORGHGQ-BMGDILEWSA-N	259.437	4.506	70	10	CJIE	
CCN[C@@H]1CC[C@H](C(C)C)C[C@@H]1Cc1ccc(CC)cc1	217796608	QWSUNMIHDRUNHI-SLFFLAALSA-N	287.491	4.842	70	10	CJIE	
C[C@@H]1CCCC[C@H]1CN[C@H](c1ccc(F)cc1)C1CC1	218152800	SXZJHAZJVXJCAQ-SKDZVZGDSA-N	275.411	4.693	70	10	CJIE	
Cc1cccc([C@@H](O[C@@H]2C[C@@H](C)CC(C)(C)C2)[C@@H](C)N)c1	218264567	LPYHUSZHHDCHNB-AHCXZYCDSA-N	289.463	4.615	70	10	CJIE	
CCN[C@H](CN(CC)[C@@H](C)CC)c1ccc(C(C)C)cc1	218629310	ISCHLKSGDZLIFO-QFBILLFUSA-N	290.495	4.581	70	10	CJIE	
CC(C)=C(CN(C)[C@H](C)C1CC2(CCC2)C1)[B-](F)(F)F	2340140343	IKZIUMDWEFFZLX-GFCCVEGCSA-N	288.186	4.610	70	10	CJIE	
CC(C)[C@@H]1CCC[C@@](O)(c2cccc3[nH]ccc23)CC1	159452161	CTNFGHQHNODJMW-KDOFPFPSSA-N	271.404	4.592	70	10	CJIE	
CCCc1cccc([C@H](O)c2cc(C)cc(Cl)c2)c1	159824534	WGUIWEKDGGRJHP-KRWDZBQOSA-N	274.791	4.683	70	10	CJIE	
CCCc1ccc([C@H](O)C2C3CC4CC(C3)CC2C4)cc1	160214872	CUJHETNSXXPEDO-VMALJAOGSA-N	284.443	4.745	70	10	CJIE	
Cc1ccc(Cl)cc1[C@@H](O)Cc1ccc(Cl)cc1F	160414652	GAJMMGUUKUEJML-HNNXBMFYSA-N	299.172	4.717	70	10	CJIE	
COC1(C(=O)c2ccc(C(C)(C)C)cc2)CCCCC1	160784413	QYJAFQQBPQJTGQ-UHFFFAOYSA-N	274.404	4.516	70	10	CJIE	
CC12C[C@@H]3C[C@H](C1)CC([C@H](N)CC1CCCCC1)(C3)C2	161089479	UFQIMJNLKOAGDV-FCWGVCEXSA-N	275.480	4.891	70	10	CJIE	
COC1(C(=O)C2C[C@@H](C)C[C@H](C)C2)CCC(C)(C)CC1	161272959	QNAMGKXGNMSNNK-KBPBESRZSA-N	280.452	4.613	70	10	CJIE	
C[C@@H]1C[C@@H](N[C@@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)CC(C)(C)C1	218016319	NAWWQXLTTCKLAO-LSIGDULCSA-N	275.480	4.616	70	10	CJIE	
CCCN[C@@H](CC1CCCC1)[C@H]1CCC[C@@H](C)C1	218022622	NMUJSLBIJYTQDH-PVAVHDDUSA-N	251.458	4.761	70	10	CJIE	
Cc1cc(O[C@@H]2CC[C@@H](C)[C@H](C)C2)c(C)c([B-](F)(F)F)c1	686553465	VEYRLTCIDBKDEU-YRGRVCCFSA-N	299.165	4.561	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1OC[C@H](C)CC(C)(C)C	709116360	VJULQYPFNRMPLW-LLVKDONJSA-N	287.154	4.501	70	10	CJIE	
CC(C)=C(COc1cccc(C(F)(F)F)c1)[B-](F)(F)F	2340335069	SXDKRPSJLCPFIJ-UHFFFAOYSA-N	297.027	4.807	70	10	CJIE	
CC(C)Cc1nc(-c2cccs2)sc1CNC(C)C	159880644	MBCAMUTUMKQSHZ-UHFFFAOYSA-N	294.489	4.568	70	10	CJIE	
C[C@H](C[C@H](O)c1cccc(OC2CC2)c1)CC(C)(C)C	159954136	VAWSOSVKYTUZOQ-DYVFJYSZSA-N	276.420	4.724	70	10	CJIE	
CC1(C)C([C@@H](O)c2cccc(C3CCC3)c2)C1(C)C	160177488	DEAJDTCMRHSEOZ-HNNXBMFYSA-N	258.405	4.670	70	10	CJIE	
CCN[C@H](Cc1cccc(F)c1)c1cccc(C)c1Cl	160358570	PDYWCVPWNVXITI-MRXNPFEDSA-N	291.797	4.681	70	10	CJIE	
CCc1ccc([C@@H](O)c2cc3ccc(F)cc3s2)cc1	161219875	RXAMQYBZTVVWSA-QGZVFWFLSA-N	286.371	4.685	70	10	CJIE	
CC[C@@H](N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)c1ccco1	217525183	HUNZIXNXTMRDIT-ZJIFWQFVSA-N	263.425	4.781	70	10	CJIE	
Cc1cc(C)c(CN[C@@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c(C)c1	218007422	RJPNMJXQNIUSEM-WRMBXCAGSA-N	283.459	4.526	70	10	CJIE	
CCCN[C@@H](c1ccc(OCC)cc1)[C@@H]1CCC[C@@H](C)C1	218008687	ZJOHQJAHTIBUEZ-SUMDDJOVSA-N	289.463	4.952	70	10	CJIE	
CCCC[C@H](CC)CO[C@H](c1cccs1)[C@@H](N)CC	218267879	NJKRPPTZYORRQR-DZKIICNBSA-N	283.481	4.760	70	10	CJIE	
CC(C)=C(CN(C)[C@H]1C[C@@H](C)CC(C)(C)C1)[B-](F)(F)F	2340140774	QOUKAOXNFRDNDT-OLZOCXBDSA-N	290.202	4.856	70	10	CJIE	
CCCCCCCCC(=O)N1CC[C@@](C)([B-](F)(F)F)C1	2342481564	IRLROPGLIRBRIG-CQSZACIVSA-N	292.174	4.577	70	10	CJIE	
CCCN[C@@H](C)c1cccc(Oc2ccc(F)cc2C)c1	160587560	WHRMLLQAQQAWEW-AWEZNQCLSA-N	287.378	4.987	70	10	CJIE	
CO[C@@]1(C(=O)c2cccc3ccsc23)CCC[C@@H](C)C1	161021694	CWLPNRAMOUUXKU-PXAZEXFGSA-N	288.412	4.679	70	10	CJIE	
CC(C)c1c(CN)oc2c(-c3ccccc3)cccc12	161157002	YLWTWAFLZSXSFZ-UHFFFAOYSA-N	265.356	4.682	70	10	CJIE	
CO[C@H](C(=O)c1ccc(C2CCC2)cc1)C1CCCCC1	161376443	UOHJCQFBTRJYNY-IBGZPJMESA-N	286.415	4.732	70	10	CJIE	
CCCN[C@H](Cc1cccc(Cl)c1)[C@H]1CCCCS1	161418444	VAXJOVSZCUDPSZ-HZPDHXFCSA-N	297.895	4.536	70	10	CJIE	
O[C@@]1(c2cccc(Cl)c2Cl)C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217872857	MXICCJIUFBUXDA-GACTXADBSA-N	297.225	4.637	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NCC)[C@@H](Cc2cc(F)ccc2C)C1	218290248	VZIUIAWVKNVYJA-SZVBFZGTSA-N	291.454	4.871	70	10	CJIE	
CC[C@@H]1CCCC[C@H]1[C@@H](O)c1ccc2nc(C)ccc2c1	218373241	BEBOZAHUQVXYPD-BJZITVGISA-N	283.415	4.793	70	10	CJIE	
CCC[C@H]1CC[C@H](CN)[C@@H](Cc2cccc(Cl)c2)C1	218757853	CISWHEJAGYWJRC-NUEKZKHPSA-N	279.855	4.674	70	10	CJIE	
CC(C)(C)NC[C@@H](Cc1cccc(F)c1F)C1CCCC1	159994646	WRVPUAPLBAGUCB-OAHLLOKOSA-N	295.417	4.702	70	10	CJIE	
Cc1cc(C)c([C@@H]2CNc3cccc(Cl)c3O2)c(C)c1	160545939	BGJCKTFNAYQHCI-HNNXBMFYSA-N	287.790	4.811	70	10	CJIE	
CN[C@@H](Cc1ccc(F)cc1Cl)C[C@@H](C)C(C)(C)C	160617442	WDZBVBRBRDULQL-BXUZGUMPSA-N	285.834	4.682	70	10	CJIE	
Fc1cc(F)c(NCc2cc(Cl)ccc2F)c(F)c1	160848898	JZQUGDPKJBSVJZ-UHFFFAOYSA-N	289.659	4.509	70	10	CJIE	
Fc1ccc(Cn2ccc3c(F)cccc32)c(Cl)c1	161332360	OPYYENTUDGUTSK-UHFFFAOYSA-N	277.701	4.621	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@H](N)[C@@H](CCCOc2ccccc2)C1	217740800	HFWKYENPOKEHEG-JZXOWHBKSA-N	289.463	4.635	70	10	CJIE	
FC(F)(F)c1cccc(Cl)c1N[C@@H]1C[C@@H]2CC=C[C@H]21	217973242	WCYWRCWWDCIZQM-YGOYTEALSA-N	287.712	4.735	70	10	CJIE	
Cc1cc(C)c(CN[C@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1C	218210393	QJDPUBQDSINPAG-FLNBYBTLSA-N	283.459	4.526	70	10	CJIE	
CNC[C@@H]1CC[C@H](C(C)C)C[C@@H]1Cc1cc(F)ccc1C	218342768	KDRZVDKXMFAXQG-XYJFISCASA-N	291.454	4.585	70	10	CJIE	
Cc1cc(Br)sc1[C@H]1C[C@@H]1[B-](F)(F)F	1882176521	HTQOWJMBHAMNEM-WDSKDSINSA-N	283.929	4.524	70	10	CJIE	
Cc1cc(Br)c([C@H]2C[C@H]2[B-](F)(F)F)s1	1882185026	NJGABQBNDPOIJJ-NTSWFWBYSA-N	283.929	4.524	70	10	CJIE	
O[C@H](c1cc2cc(Cl)ccc2o1)[C@H]1C[C@H]1c1ccccc1	159368943	VJPCIUNYOMNZCD-MPGHIAIKSA-N	298.769	4.923	70	10	CJIE	
CCSCC[C@H](C)N[C@H](C)C12CC3CC(CC(C3)C1)C2	159971619	AQXJQTQHEKQFGW-LNOPCHKWSA-N	295.536	4.713	70	10	CJIE	
CCCCOCCCN[C@H](c1cccs1)C1CCCC1	160205613	YPDGFYVLGZVHTN-KRWDZBQOSA-N	295.492	4.776	70	10	CJIE	
CCO[C@H](c1nc(Cl)c(C)c(CC)n1)C1CCCCC1	160418381	QSYLOWXJJJCDPP-AWEZNQCLSA-N	296.842	4.659	70	10	CJIE	
C1=C[C@@H]2[C@@H](C1)C[C@H]2Nc1ccccc1Cc1ccccc1	217836330	DLFKTHKPQCFASF-ILZDJORESA-N	275.395	4.654	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217867412	CKBMRLUNNXSEHM-VDTJKSJASA-N	289.507	4.862	70	10	CJIE	
Cc1cccc2c1OCCC[C@H]2N[C@@H]1CCC[C@H](C)[C@H]1C	217895537	OZUXRKRYOZLWOU-PAYONLEZSA-N	287.447	4.623	70	10	CJIE	
CCCN[C@@H](Cc1ccc(CC)cc1)[C@@H]1CCC[C@@H](C)C1	218013242	SBUIDOLYOHGFJN-AHRSYUTCSA-N	287.491	4.986	70	10	CJIE	
CC(C)(CN[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)c1ccccc1	218116153	CAUOYWPXCSFJPF-ABSDTBQOSA-N	285.475	4.769	70	10	CJIE	
COc1ccc(N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1C	218143677	ZREDWAUSBHCXPK-RPVQJOFSSA-N	273.420	4.630	70	10	CJIE	
CCC[C@@H](C)COc1ccc2cc([B-](F)(F)F)ccc2c1	312125401	BHDQXDYQERHAMM-GFCCVEGCSA-N	295.133	4.709	70	10	CJIE	
CCCCC[C@@H](NCC)c1cccc(OCCC)c1	159596763	LFPVLENHEOVUEA-QGZVFWFLSA-N	263.425	4.706	70	10	CJIE	
CCSCC[C@H](C)Nc1ccc2ccccc2c1	160329199	XRNMHKLZVMSZLV-ZDUSSCGKSA-N	259.418	4.783	70	10	CJIE	
CCCN[C@@H](C[C@@H](C)CC(C)(C)C)C1=CCCCO1	160387597	ASNACRWARZJTAP-CABCVRRESA-N	267.457	4.511	70	10	CJIE	
CN[C@@H](CCC1CCCCC1)Cc1ccc(F)cc1Cl	160546695	ZYQSUMJDYAWCTM-INIZCTEOSA-N	297.845	4.970	70	10	CJIE	
C[C@@H](NCc1cc(F)cc(Cl)c1)c1cccc(Cl)c1	160814093	MXBWXSFYJBSFRJ-SNVBAGLBSA-N	298.188	4.983	70	10	CJIE	
CC(C)[C@H]1CCCC[C@H]1NCc1cc(Cl)ccc1F	160874756	WEZCIDOXQXMBAB-GDBMZVCRSA-N	283.818	4.784	70	10	CJIE	
CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NCc1cc(F)cc(Cl)c1	160944103	YSGGKXBQMBDSRS-XGWLTEMNSA-N	295.829	4.784	70	10	CJIE	
Cc1cc(Cl)cc2c(C(C)C)c(CNC3CC3)oc12	161181793	VMYTXHRVXMUPHS-UHFFFAOYSA-N	277.795	4.770	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1N[C@@H](C)c1ccsc1	217530244	AJAMXTPZNJEHJE-SDADXPQNSA-N	265.466	4.860	70	10	CJIE	
CCN[C@H]1CC[C@H](CC)C[C@@H]1Cc1ccc(Cl)cc1	217671699	IXZOEHIKWNHNNG-LXZKKBNFSA-N	279.855	4.687	70	10	CJIE	
CCN[C@H]1CC[C@H](CC)C[C@@H]1Cc1ccc(Cl)s1	217673727	AAAAPPMKYWFJIM-SCRDCRAPSA-N	285.884	4.748	70	10	CJIE	
CNCC1(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)CCCCCC1	218748760	XCSBNDXNHLJGKP-KSZLIROESA-N	295.511	4.776	70	10	CJIE	
CC[C@@H]1CCCC[C@H]1OCC(=C(C)C)[B-](F)(F)F	2301964633	MCPPSFFBCGFQPM-DGCLKSJQSA-N	263.132	4.695	70	10	CJIE	
CCC1(CC)CC(N(C)CC(=C(C)C)[B-](F)(F)F)C1	2317854851	RQHWYCVBVNPZMD-UHFFFAOYSA-N	276.175	4.610	70	10	CJIE	
CCN(CC(=C(C)C)[B-](F)(F)F)[C@H]1CCCC1(C)C	2317863174	HUZKSHJSFPXKPS-ZDUSSCGKSA-N	276.175	4.610	70	10	CJIE	
C[C@@H]1CCC[C@H](c2nc(C3CC3)c(CNC3CC3)s2)C1	159576326	IEBDHZOMQGAAGV-YPMHNXCESA-N	290.476	4.566	70	10	CJIE	
CO[C@]1(c2nc(C)c(C(C)C)c(Cl)n2)CCC[C@@H](C)C1	160410807	ZKWUEMANKBCAPH-BDJLRTHQSA-N	296.842	4.614	70	10	CJIE	
Clc1ccc(-c2cccc3c2NCC3)cc1Cl	217040403	BKMPFBYYPLALPV-UHFFFAOYSA-N	264.155	4.628	70	10	CJIE	
CC(C)=C(CN(C)[C@H](C)[C@H]1CCC[C@@H](C)C1)[B-](F)(F)F	2340312731	JUAINSFRLWGOMK-MCIONIFRSA-N	290.202	4.856	70	10	CJIE	
CCCN[C@H](CC)c1cccc(-c2cncc(C)c2)c1	161020521	PWHVZUAHJLZTRZ-GOSISDBHSA-N	268.404	4.508	70	10	CJIE	
O=C(CC1=CCCCC1)Cc1nc(-c2ccccc2)cs1	161027204	LHNFRQJKNUUEDV-UHFFFAOYSA-N	297.423	4.812	70	10	CJIE	
CSc1ccccc1[C@@H](N)Cc1ccc(C(C)(C)C)cc1	161297689	VUOPRTPLRBYPGN-KRWDZBQOSA-N	299.483	4.949	70	10	CJIE	
COc1ccc(N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c(C)c1	218198845	VTSCBPISBJWHQU-RPVQJOFSSA-N	273.420	4.630	70	10	CJIE	
C[C@H](Cc1ccc(F)cc1)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218203501	LXSPWFLPRINENK-FDZBUTDGSA-N	289.438	4.561	70	10	CJIE	
CCCC1(COCc2cccc([B-](F)(F)F)c2C)CCC1	2283573259	IGDWUBFQJFADSC-UHFFFAOYSA-N	299.165	4.536	70	10	CJIE	
CC(C)=C(COC[C@@H]1CCC[C@@H](C)C1)[B-](F)(F)F	2301965696	WEDVIZZIYIOFNK-VXGBXAGGSA-N	263.132	4.552	70	10	CJIE	
CCc1cccc(C)c1N[C@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218091647	XNSTYBWSKILMOK-ILOCAZANSA-N	269.432	4.794	70	10	CJIE	
Cc1cc(C)cc(NC(=O)N/C=C/C2CCCCC2)c1	218650329	ANRSCKQCWNNRRS-CMDGGOBGSA-N	272.392	4.519	70	10	CJIE	
F[B-](F)(F)/C=C/c1cc(Cl)ccc1Br	307123245	NXBBGPQGFBJIOG-ONEGZZNKSA-N	284.291	4.502	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@H]1c1cc(Cl)c(Cl)s1	1882178654	YIKNKDFNEQJRNF-QWWZWVQMSA-N	259.896	4.760	70	10	CJIE	
C[C@@]1(CN2CCC[C@@H]([B-](F)(F)F)C2)CCCCC1(F)F	2133914212	RINBOXGIQUJFGD-NEPJUHHUSA-N	298.128	4.515	70	10	CJIE	
Nc1cc(Oc2ccc(-c3ccccc3)cc2Cl)ccn1	159370749	QDHPWROHJIPIET-UHFFFAOYSA-N	296.757	4.777	70	10	CJIE	
CC(C)(C)NC[C@H](Cc1ccc(F)c(F)c1)C1CCCC1	159999055	XAPSPWPKFORFOR-HNNXBMFYSA-N	295.417	4.702	70	10	CJIE	
CCCN[C@@H](Cc1ccc(CC)s1)c1ccc(CC)o1	161161415	CMPXSMDLRXQAMI-INIZCTEOSA-N	291.460	4.749	70	10	CJIE	
FC(F)Oc1cccc(N[C@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c1	217746696	YOHVWIOENUQIDQ-JMWBNMSQSA-N	293.357	4.525	70	10	CJIE	
O[C@]1(c2ccc(Cl)c(Cl)c2)C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217871759	MHGSRTRVDNGNIG-NDPRJGJWSA-N	297.225	4.637	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1ccccc1N(C)C	217996321	GOEVHMMFPOXTNH-VYDXJSESSA-N	274.452	4.625	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1OC[C@@H](NC)c1ccc(C)cc1C	218781919	QCVORPDVKGPEQU-UHOSZYNNSA-N	289.463	4.549	70	10	CJIE	
Fc1cccc(C23CC([B-](F)(F)F)(C2)C3)c1Cl	1887484470	DWFLXTFEULGFGF-UHFFFAOYSA-N	263.450	4.502	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1[C@@H]1CCC[C@H](C(F)(F)F)C1	1984461779	HJGREMQCVMWWOU-BZNPZCIMSA-N	259.022	4.593	70	10	CJIE	
Fc1cc(C(F)(F)F)ccc1[C@@H]1C[C@@H]1[B-](F)(F)F	2009403520	CSDZNINSUSVKJW-YUMQZZPRSA-N	270.964	4.549	70	10	CJIE	
CC(C)=C(COC[C@H]1CC(F)(F)C12CCC2)[B-](F)(F)F	2340335062	SWNCQRBADBZKPN-SNVBAGLBSA-N	297.096	4.552	70	10	CJIE	
CC1(COc2ccc(CBr)cc2)CCCCC1	144380977	KMBRLMNPHXLAPO-UHFFFAOYSA-N	297.236	4.931	70	10	CJIE	
CCc1ccc(C[C@@H](CNC(C)(C)C)C2CCCC2)cc1	159999475	UPENIPWGSLRDEW-IBGZPJMESA-N	287.491	4.986	70	10	CJIE	
CCc1ccc([C@@H](C)N[C@H]2CCc3ccc(C)cc32)cc1	160779890	AFJGHYPISALTFF-QRWLVFNGSA-N	279.427	4.896	70	10	CJIE	
CCCCCCCCOc1ccc(F)cc1[B-](F)(F)F	203440540	CSGDVJKQJIAOOZ-UHFFFAOYSA-N	291.117	4.619	70	10	CJIE	
Cc1cc(C(=O)N(C)c2cccc3ccccc23)ccc1F	216835945	ZCGFRYOULNXPTA-UHFFFAOYSA-N	293.341	4.564	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1Cc1ccc(F)cc1F	217752126	DHSFZPUMGREPEK-GRDNDAEWSA-N	295.417	4.558	70	10	CJIE	
O[C@]1(c2cc(Cl)ccc2Cl)C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217872936	HFWWLMZSUWMAGK-GJXHKJHSSA-N	297.225	4.637	70	10	CJIE	
CC1(NC2c3ccccc3-c3ccccc32)CCCC1	217975013	YDXZHNRKSQJPHB-UHFFFAOYSA-N	263.384	4.679	70	10	CJIE	
CCC1CCC(CN[C@@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)CC1	218115602	ASPCQJGNLHKCMF-QBMFFNHYSA-N	275.480	4.617	70	10	CJIE	
C=C(CCN(C)[C@@H](CC)CCCCC)[B-](F)(F)F	2018180942	CUNCEKJTRZVJCC-ZDUSSCGKSA-N	264.164	4.610	70	10	CJIE	
FC(F)(F)c1cccc2c(CBr)cccc12	147802654	FTTGJBVSFUXMMR-UHFFFAOYSA-N	289.094	4.754	70	10	CJIE	
CCNc1cc(Sc2ccc3ccccc3c2)ccn1	159398619	JOTMGIRSNAJBQI-UHFFFAOYSA-N	280.396	4.818	70	10	CJIE	
CCCC[C@@](CC)(CNC(C)C)C[C@H]1CCC(C)(C)O1	160906072	TUSURJRATIAAFW-SJLPKXTDSA-N	283.500	4.919	70	10	CJIE	
CN[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1CCC(C)C	217768454	CPSSWFFEEZHRRR-FGTMMUONSA-N	259.437	4.595	70	10	CJIE	
C=C(CCOCC(CC)(CC)CC)[B-](F)(F)F	1985594051	AYPBFMWPLDSHLY-UHFFFAOYSA-N	251.121	4.552	70	10	CJIE	
CCC1([C@H](O)c2cc3cccc(F)c3o2)CCCC1	159484592	NZLLHYNRJUPCEG-OAHLLOKOSA-N	262.324	4.576	70	10	CJIE	
Cc1ccc(F)c([C@@H](O)c2cc3cccc(Cl)c3o2)c1	159632247	OYFIOVPNHLBPIV-OAHLLOKOSA-N	290.721	4.615	70	10	CJIE	
O[C@H](CCC1CCCCC1)[C@H]1C[C@@H]1c1ccccc1	160045817	RLKJCXAROAGBAA-FGTMMUONSA-N	258.405	4.512	70	10	CJIE	
CCc1ccc([C@@H](Cc2ccc(F)cc2Cl)NC)s1	160574088	KQDOYWCTVXBDEA-CQSZACIVSA-N	297.826	4.606	70	10	CJIE	
CC(C)(C)c1ccc([C@@H](N)Cc2ccc(Cl)s2)cc1	160947910	PSUVLWWGUNHZPC-AWEZNQCLSA-N	293.863	4.942	70	10	CJIE	
CCCCC1CCC(CO)(C[C@@H]2CCC(C)(C)O2)CC1	161304839	NBNPPDSNBQRPKY-PQUAAJSLSA-N	282.468	4.693	70	10	CJIE	
CCCNCc1oc2ccc(OCC)cc2c1CC(C)C	161308634	PFKMZQHVTXRBBB-UHFFFAOYSA-N	289.419	4.530	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)Cc1cc(C)cc(C)c1	161332902	GAQSOCLKMPHGDF-LJQANCHMSA-N	271.448	4.715	70	10	CJIE	
FC(F)(F)[C@H]1CCc2nc(C3CCCCCC3)[nH]c2C1	216969463	WEYUAYHUWBQJJM-NSHDSACASA-N	286.341	4.515	70	10	CJIE	
CCC(CC)CN(CC)[C@H](c1ccc(C)s1)[C@@H](N)CC	217812622	GZXCOXRKDWUCDN-RDJZCZTQSA-N	296.524	4.593	70	10	CJIE	
O[C@@]1(c2cccc(Cl)c2Cl)C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217872738	MXICCJIUFBUXDA-XYOMKSJCSA-N	297.225	4.637	70	10	CJIE	
CCN[C@@H](c1ccc(OC(C)C)cc1)[C@@H]1CCC[C@@H](C)C1	217975641	PLFAIGYWCURMRA-SUMDDJOVSA-N	289.463	4.951	70	10	CJIE	
CCCNC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1cccc(C)c1	218759988	PKFJZFJVGRYHTD-QRQLOZEOSA-N	289.463	4.631	70	10	CJIE	
CCCC[C@@H](CC)COc1cc(C)ccc1[B-](F)(F)F	699766810	HTUBJIDANZHTLK-CYBMUJFWSA-N	287.154	4.645	70	10	CJIE	
CCC1CCC(OCC(=C(C)C)[B-](F)(F)F)CC1	2301870255	XPYCKTMPXOTROH-UHFFFAOYSA-N	263.132	4.695	70	10	CJIE	
CCCC[C@H](Br)CCCc1ccccc1	148312368	KFTCSJADUZJTSO-AWEZNQCLSA-N	269.226	4.963	70	10	CJIE	
CCSCC[C@@H](C)N[C@@H](C)c1ccc(C(C)C)cc1	160036681	SSSMKXHYKKEBMD-CABCVRRESA-N	279.493	4.992	70	10	CJIE	
CCN[C@H](Cc1cccc(C)c1)c1cccc(C)c1Cl	160361543	SWFJDUJDLLIFGA-QGZVFWFLSA-N	287.834	4.850	70	10	CJIE	
CO[C@@]1(C(=O)c2ccc(C(C)C)cc2)CCC[C@@H](C)C1	161114502	RPMWUEKWFRGLEW-KDOFPFPSSA-N	274.404	4.588	70	10	CJIE	
CCCN[C@@H](c1cc(C)cc(C)c1)[C@H]1CCCCS1	161414907	KEPDQXPPIDSLOO-SJORKVTESA-N	277.477	4.630	70	10	CJIE	
COc1cc(C)ccc1N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218111162	GJAORLNKNPVAKA-FDQGKXFDSA-N	273.420	4.630	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1cc(F)c(F)c(F)c1	218196114	KJOWHBVNDCKBIS-GMXABZIVSA-N	285.353	4.977	70	10	CJIE	
CC[C@H](N)[C@@H](O[C@@H]1CCC[C@@H](C)C1)c1ccc(Cl)cc1	218273895	NDBHRMMWMBAPKL-VZEFYGNVSA-N	295.854	4.714	70	10	CJIE	
CCC[C@H]1CC[C@H](CN)[C@@H](C[C@@H]2C[C@@H]3CC[C@@H]2C3)C1	218761203	ZYSRDHRPGOJGAM-UIGZQWRCSA-N	263.469	4.604	70	10	CJIE	
CCN[C@H]1CC[C@H](CC)C[C@@H]1Oc1ccc(C(C)C)cc1	218766137	OMQPQDZSBSPDQJ-SNRMKQJTSA-N	289.463	4.746	70	10	CJIE	
C=C(CCN(C)[C@@H]1CCC[C@H]2CCCC[C@H]21)[B-](F)(F)F	2136425710	HIMJXRUXSHSAFQ-RBSFLKMASA-N	288.186	4.610	70	10	CJIE	
Cc1cccc([C@@H](O)c2cc3cc(F)ccc3o2)c1Cl	159416562	HDCRXRNMXIZHMH-MRXNPFEDSA-N	290.721	4.615	70	10	CJIE	
O[C@H](CC1CCCCCC1)c1cc2cccc(F)c2o1	159510038	AVXSWQBICTVZJF-OAHLLOKOSA-N	276.351	4.966	70	10	CJIE	
N[C@H](CC1CCCCC1)c1ccc(F)c(C(F)(F)F)c1	161026692	XAOGEAXBMQRXFG-CQSZACIVSA-N	289.316	4.815	70	10	CJIE	
CN[C@H](Cc1ccccc1)c1cc2ccc(F)cc2s1	161176429	ISGGHRFINHPSGH-OAHLLOKOSA-N	285.387	4.544	70	10	CJIE	
CSc1cccc(NC(=O)N/C=C/c2ccccc2C)c1	217674565	RNVRVKRCHBSVPP-ZHACJKMWSA-N	298.411	4.509	70	10	CJIE	
CC[C@@H]1CCCC[C@@H]1N[C@H](c1ccc(F)cc1)C1CC1	218154568	UWRUXTPOUJWULH-BVGQSLNGSA-N	275.411	4.835	70	10	CJIE	
Cc1cc(O[C@@H]2C[C@H](C(C)C)CC[C@H]2O)ccc1C(C)C	218542316	YVHQILSTOBIMLI-ATZDWAIDSA-N	290.447	4.683	70	10	CJIE	
CC[C@@H]1CC[C@@H](CN)[C@@H](c2cccc3ccccc23)C1	218657288	TYWYJXZOGVNTEH-ALKREAHSSA-N	267.416	4.708	70	10	CJIE	
CCCN[C@H]1CC[C@H](CCC)C[C@@H]1Oc1cccc(F)c1	218776477	ITOVSDAZWZILGG-WBAXXEDZSA-N	293.426	4.542	70	10	CJIE	
CC(C)=C(COC[C@H]1CC[C@H](C)CC1)[B-](F)(F)F	2301951634	BNRZNKSFFYXOMX-HAQNSBGRSA-N	263.132	4.552	70	10	CJIE	
CCCCC[C@H](CCc1ccc(OC)cc1)NCCC	159588625	SQSIDNJFXVESGM-QGZVFWFLSA-N	277.452	4.576	70	10	CJIE	
Fc1cccc(Cl)c1C[C@@H](CNC1CC1)C1CCCC1	159986719	VBJYLNRFEPEUMZ-ZDUSSCGKSA-N	295.829	4.580	70	10	CJIE	
CCCN[C@H](CC1CCCCC1)C1[C@H]2CCCC[C@H]12	161002705	WHAXZGPJKCGLGI-YESZJQIVSA-N	263.469	4.761	70	10	CJIE	
N[C@@H](CC1CCCCC1)c1cc2c(s1)CCCCC2	161080684	JVMPFLWBTRAGTE-HNNXBMFYSA-N	277.477	4.987	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)Cc1ccc(F)cc1	161391868	PYWHNAYPTKJOAO-GOSISDBHSA-N	275.411	4.627	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@H](O)[C@@H](Cc2ccc(Cl)cc2)C1	218307696	XTINERUTRKTCSK-DZKIICNBSA-N	280.839	4.706	70	10	CJIE	
CCCCCN(C(C)C)[C@H](C)[C@@H](NCC)c1ccccc1	218691203	WSJGTOWWWWGAAO-IEBWSBKVSA-N	290.495	4.626	70	10	CJIE	
C=C(CSC1CC2(C1)CC1(CCC1)C2)[B-](F)(F)F	2251373438	ZENLVHHXWCLDBK-UHFFFAOYSA-N	275.168	4.775	70	10	CJIE	
CC(C)=C(CN1CCC(C2CCCC2)CC1)[B-](F)(F)F	2340141650	VPZPVFQEVRVUAK-UHFFFAOYSA-N	288.186	4.612	70	10	CJIE	
CC(=O)c1ccc(-c2ccc(F)c(Br)c2)s1	160048802	GCRUPILPMYOPPO-UHFFFAOYSA-N	299.164	4.519	70	10	CJIE	
Cc1ccsc1[C@@H](O)c1c(C)ccc2ccccc12	161007702	NBCFOKZOMOQBGO-INIZCTEOSA-N	268.381	4.600	70	10	CJIE	
CCCN[C@H](Cc1ccc(CC)s1)c1sccc1C	161135033	PRSFXWWLCBAVOX-OAHLLOKOSA-N	293.501	4.964	70	10	CJIE	
CCOC1(C(=O)CC2CCCCC2)CCC(C)(C)CC1	161238978	OVHVLHGLRPPCHG-UHFFFAOYSA-N	280.452	4.901	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](N)[C@@H](Cc2cccc3ccccc23)C1	217778792	AFQNHHGLYNELJV-POAQFYNOSA-N	281.443	4.782	70	10	CJIE	
Fc1cc(Cl)ccc1N[C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217932639	YGPBBPQGSCFNBW-TUJLLHNGSA-N	279.786	4.716	70	10	CJIE	
CN[C@@H](Cc1ccc(C(C)(C)C)cc1)[C@@H]1CCC[C@@H](C)C1	217967067	KWEUZLDINPZCIT-SUMDDJOVSA-N	287.491	4.941	70	10	CJIE	
O=C(N/C=C/C1CCCC1)Nc1ccccc1C(F)(F)F	218582534	XWZQDGBFMJULGC-MDZDMXLPSA-N	298.308	4.531	70	10	CJIE	
CCN[C@H]1CC[C@H](C(C)(C)CC)C[C@@H]1N(CC)CC(C)C	218627471	QJZVSLMMWDHRET-BZSNNMDCSA-N	296.543	4.547	70	10	CJIE	
CCCCN([C@@H](C)CC)[C@@H]1C[C@@H](CCC)CC[C@@H]1NCC	218699776	UTSWDOICCOUDAT-CADBVGFASA-N	296.543	4.834	70	10	CJIE	
C[Si](C)(Cl)C[Si](C)(C)C[Si](C)(C)Cl	238457157	USBBNZPIMLVFIH-UHFFFAOYSA-N	273.428	4.661	70	10	CJIE	
CC(C)=C(COc1ccc(Cl)cc1C)[B-](F)(F)F	2301865701	ZKIYWESPMJOHNH-UHFFFAOYSA-N	277.502	4.750	70	10	CJIE	
CCC[C@](C)(CNCC(C)C)[C@H]1C[C@@H]1c1ccccc1	159419943	PMNLUUARWPCJIO-CEXWTWQISA-N	273.464	4.842	70	10	CJIE	
CCCc1cccc(C(=O)C2(OC)CCCCCC2)c1	161308925	BCOSTWZMPSNGPU-UHFFFAOYSA-N	274.404	4.561	70	10	CJIE	
FC(F)(F)[C@@H]1CCCC[C@@H]1N[C@@H]1CCCc2ccccc21	218049536	QIZSSEDULITZQA-OAGGEKHMSA-N	297.364	4.775	70	10	CJIE	
CC[C@H](N)[C@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)c1cccs1	218262679	KANKVVQWNXBFOL-NYTXWWLZSA-N	295.492	4.758	70	10	CJIE	
Cc1cc(Cl)ccc1NC(=O)N/C=C/C1CCCCC1	218641066	VDBRDLDQZWFJSS-MDZDMXLPSA-N	292.810	4.864	70	10	CJIE	
CC(C)=C(CSc1ccc(C)cc1)[B-](F)(F)F	1901651501	RXUNDMWHMQAMDH-UHFFFAOYSA-N	259.125	4.810	70	10	CJIE	
F[B-](F)(F)C1CCN(C[C@@H]2C[C@@H]2C2CCCCC2)CC1	2231065923	OGYBFNDGAMPSPY-DZGCQCFKSA-N	288.186	4.516	70	10	CJIE	
C=C(CCOCc1cc(F)ccc1C(F)F)[B-](F)(F)F	2338243129	CRLMTXDULGCCLC-UHFFFAOYSA-N	297.027	4.613	70	10	CJIE	
CO[C@H](c1nc(C)c(C(C)C)c(Cl)n1)C1CCCCC1	160408074	WLMIOGQFDRJIGH-AWEZNQCLSA-N	296.842	4.830	70	10	CJIE	
Cc1cncc([C@@H]2CC(C)(C)CC[C@H]2CNC(C)(C)C)c1	161041846	RTLZZPUNLOPURP-DOTOQJQBSA-N	288.479	4.688	70	10	CJIE	
CC(C)c1ccc(C[C@H](O)CC2=CCCCC2)cc1	161054961	RGUXWSRPCJVHQU-GOSISDBHSA-N	258.405	4.604	70	10	CJIE	
Cc1ccc([C@@H](C)Nc2cccc(N(C)C)c2)cc1C	161060903	HOQKCCZKTSNYFU-OAHLLOKOSA-N	268.404	4.543	70	10	CJIE	
CCNCc1oc2c(ccc3ccccc32)c1CC(C)C	161135953	QUXRSZVZMCTMON-UHFFFAOYSA-N	281.399	4.894	70	10	CJIE	
C[C@@H](O)c1ccc(N2CCC[C@H]3CCCC[C@H]32)c(Cl)c1	217516727	MUQMTJKBYLRGHZ-XJKCOSOUSA-N	293.838	4.552	70	10	CJIE	
CCN[C@@H](c1cccc(Cl)c1)[C@H]1CCC[C@@H](C)C1	217984401	UGEGOBSCBDQHMZ-DVOMOZLQSA-N	265.828	4.817	70	10	CJIE	
CCN[C@H]1CC[C@@H](C(C)(C)CC)C[C@@H]1N(C)[C@@H](C)C(C)C	218639188	WAHSFUFBAINUSU-MHORFTMASA-N	296.543	4.546	70	10	CJIE	
Fc1ccc(C(F)(F)F)c([C@@H]2C[C@@H]2[B-](F)(F)F)c1	2010602403	GJRGCLNNOAEAGV-CBAPKCEASA-N	270.964	4.549	70	10	CJIE	
CC(C)c1ccc(CN2CC[C@H]3C[C@]3([B-](F)(F)F)C2)cc1	2194161139	VJDBZHOSFUIHMB-HOTGVXAUSA-N	296.165	4.623	70	10	CJIE	
O[C@@H](c1cc2c(s1)CCC2)c1ccccc1C1CCC1	159994517	IWRIOEJQTUYWKD-GOSISDBHSA-N	284.424	4.586	70	10	CJIE	
CC1(C)CC[C@@H](CNc2ccccc2-c2ccccc2)O1	160176450	ISZQEOLRNKADOS-INIZCTEOSA-N	281.399	4.723	70	10	CJIE	
C[C@H](Cc1cccc(Cl)c1)NCc1coc2ccccc12	161076457	VYZLOQFFGYOBFB-CYBMUJFWSA-N	299.801	4.807	70	10	CJIE	
CCOC1(C(=O)c2cc(C)cc(F)c2)CCC(C)(C)CC1	161241611	ZTLLVHRVZNEXJX-UHFFFAOYSA-N	292.394	4.692	70	10	CJIE	
c1cc2c(s1)CCC[C@H]2N[C@@H]1C[C@@H]2C[C@H]1[C@@H]1CCC[C@@H]21	217577267	WQGVYUSEDKFYMM-JIZWNYQESA-N	287.472	4.540	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC1CC(c2ccccc2)C1	217887542	IZBQVILPAAQTKO-ODGZRVONSA-N	285.475	4.983	70	10	CJIE	
CC(C)c1ccc(C[C@@]2(N)C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1	217893160	GVIUUVYVKGFDFX-USYVTKNRSA-N	283.459	4.506	70	10	CJIE	
CCOCc1ccccc1N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218085715	CTAYLGKULFSQBJ-KVSKMBFKSA-N	287.447	4.850	70	10	CJIE	
CCc1ccc([C@@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)cc1	218553381	RXEOYAZOKUVAHK-JLSDUUJJSA-N	290.447	4.514	70	10	CJIE	
CC[C@H]1CCC[C@@H]([C@@H](NC)c2cccc(Cl)c2F)C1	218731347	LDIMPYUZKLYQRM-HWWQOWPSSA-N	283.818	4.956	70	10	CJIE	
CCN[C@@H](c1cccc(Cl)c1F)[C@H]1CCC[C@@H](C)C1	218731924	NOMQLQREFDWHFU-BFQNTYOBSA-N	283.818	4.956	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Br	1885274473	MAGRCBOBHWAUME-HTQZYQBOSA-N	298.318	4.807	70	10	CJIE	
C[C@@H]1CC[C@@H](c2nc(C3CC3)c(CNC(C)(C)C)s2)C1	159608112	BRYJDKRKMWPGOX-DGCLKSJQSA-N	292.492	4.812	70	10	CJIE	
Cc1cc([C@@H](O)c2cccc(CC(C)C)c2)c(F)cc1F	159843821	UCHPKVIXERIQNA-SFHVURJKSA-N	290.353	4.553	70	10	CJIE	
CCN[C@@H](C)c1cc(F)ccc1Oc1ccc(F)cc1C	160588229	IQSMOZYYSOUTBL-LBPRGKRZSA-N	291.341	4.736	70	10	CJIE	
CC[C@H](C)c1ccccc1O[C@@H](C)[C@@H](O)c1ccccc1	217017300	KMMCDMHXUUPGLX-YZVOILCLSA-N	284.399	4.701	70	10	CJIE	
CN[C@@H](C)c1ccc(SC/C=C\c2ccccc2)cc1	217706045	VUYYWIIDFZTRFW-AJHXJQRKSA-N	283.440	4.773	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@H](N)[C@@H](Cc2ccccc2Cl)C1	217748118	FVLXYHCBDUOQLV-LZWOXQAQSA-N	279.855	4.672	70	10	CJIE	
Cc1ccc(F)cc1N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218071944	VXQKSWJDAMTEDV-YLQAJVPDSA-N	261.384	4.761	70	10	CJIE	
CCc1cccc(N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1	218073946	CPRDINDXZXGRDO-YXJHDRRASA-N	257.421	4.876	70	10	CJIE	
CCOc1cc(C)ccc1N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218103854	QXYUSKROJWTIIY-ZNFSNMQZSA-N	285.431	4.630	70	10	CJIE	
CCCC[C@H](CC)CO[C@H](c1ccccc1F)[C@@H](N)CC	218271805	MPVOFVBSZQDDSD-JCGIZDLHSA-N	295.442	4.837	70	10	CJIE	
CC[C@@H](N)[C@@H](O[C@@H]1CCC[C@@H](C)C1)c1ccccc1Cl	218273159	YRBUXZRYJIVPLQ-KFZJALRRSA-N	295.854	4.714	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCCN(C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2338940088	AQFCMNHOOTTXDD-ZQDZILKHSA-N	288.186	4.516	70	10	CJIE	
CCCNC[C@](C)(CCC)[C@@H]1C[C@@H]1c1ccccc1	159417305	NBYZPWGAGKMTPE-KURKYZTESA-N	259.437	4.596	70	10	CJIE	
O[C@H](c1cc2ccc(F)cc2s1)[C@@H]1C[C@@H]1c1ccccc1	160041627	PGXSCZPVBFAOLG-RKVPGOIHSA-N	298.382	4.878	70	10	CJIE	
CCCc1ccc(NC2=NCC3(CCCC3)CS2)cc1	160219570	WVYNXRQTHSGLNV-UHFFFAOYSA-N	288.460	4.714	70	10	CJIE	
C[C@H]1Nc2ccc(Cl)cc2O[C@@H]1c1cccc(Cl)c1	160566020	MPIAYXAHPVOXHM-PSLIRLAXSA-N	294.181	4.928	70	10	CJIE	
CCc1ccccc1[C@@H](Cc1ccc(F)cc1Cl)NC	160633943	DVTTZXNHONNMKB-QGZVFWFLSA-N	291.797	4.545	70	10	CJIE	
CCOC1(C(=O)c2cccc3ccccc23)CCCCC1	160846680	JROORXKRXKZCCR-UHFFFAOYSA-N	282.383	4.762	70	10	CJIE	
CC[C@H]1CCCC[C@H]1O[C@H](c1ccc(F)cc1)[C@H](N)CC	218243956	XULWIOTUHZHMOX-OKDNKWQNSA-N	293.426	4.590	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](N)[C@@H](c2cccc3ccccc23)C1	218499523	SVJHJXUGYJQICN-ATZDWAIDSA-N	267.416	4.707	70	10	CJIE	
Cc1cc(C)c(NC(=O)NC=C2CCCCC2)c(C)c1	218673771	YICXDLFNMUZSBT-UHFFFAOYSA-N	272.392	4.581	70	10	CJIE	
CC[C@H]1CCC[C@H]([C@@H](N)c2cccc(Cl)c2F)C1	218730242	LOYDWABPFYWWCY-ZIBATOQPSA-N	269.791	4.695	70	10	CJIE	
C[C@@H]1CCC(=C[B-](F)(F)F)[C@@H](OCc2ccccc2)C1	1953545325	XUNZOLVIDXYBJF-DOMZBBRYSA-N	283.122	4.705	70	10	CJIE	
Cc1cc(C(F)(F)F)sc1[C@@H]1C[C@@H]1[B-](F)(F)F	2245924626	ZKDIJXSRIGQCBF-RITPCOANSA-N	273.030	4.780	70	10	CJIE	
Cc1ccc([C@H](O)c2cc3cccc(Cl)c3o2)c(F)c1	159638256	CHIVGRKHODHLFH-HNNXBMFYSA-N	290.721	4.615	70	10	CJIE	
CCCN[C@H](C1=CCCCO1)c1ccc2ccccc2c1	160001418	PLHHBVZTXZANMZ-IBGZPJMESA-N	281.399	4.575	70	10	CJIE	
CCOC(CC)(CC)c1nc(Cl)cc(C2CCCC2)n1	160529695	SQWKKROQDBAKMA-UHFFFAOYSA-N	296.842	4.839	70	10	CJIE	
CCCCCN(C(C)C)[C@H](C)[C@@H](N)c1ccc(CC)cc1	218689300	OCANHRZZPLURPN-VQIMIIECSA-N	290.495	4.538	70	10	CJIE	
C=C(CCN1CCC[C@H](C2CCCCC2)C1)[B-](F)(F)F	2107130980	YTPVOHUOIXZORR-HNNXBMFYSA-N	288.186	4.612	70	10	CJIE	
CC(C)=C(CN(CC(C)C)C1CCCC1)[B-](F)(F)F	2317997608	JNSWGOXSWSEGPN-UHFFFAOYSA-N	276.175	4.610	70	10	CJIE	
CC1(C)CC[C@@H](CCN2CCC[C@H]([B-](F)(F)F)C2)C1	2321634102	OQFIIJRXXNPPGC-STQMWFEESA-N	276.175	4.516	70	10	CJIE	
CC(C)=C(CN(C)[C@@H](C)c1ccccc1F)[B-](F)(F)F	2340161861	NHCFYWCOHYVBLM-NSHDSACASA-N	288.117	4.542	70	10	CJIE	
CCC[C@@H](CC)COc1ccc([B-](F)(F)F)cc1CC	2353344310	AVDYHJSMUHPXKP-GFCCVEGCSA-N	287.154	4.509	70	10	CJIE	
Cc1ccc(N[C@@H](C)c2cccc(Cl)c2)cc1N(C)C	161142955	ZXOVHLQOUXMNIO-ZDUSSCGKSA-N	288.822	4.888	70	10	CJIE	
CN[C@H](CC1=CCCCC1)Cc1ccc(C(C)C)cc1	161276772	IGXFVWSQZLLFRW-LJQANCHMSA-N	271.448	4.831	70	10	CJIE	
C[C@H]1C[C@@H](NCC(C2CC2)C2CC2)c2ccsc2S1	217001319	DLFRSCSYYRJRQQ-ZUZCIYMTSA-N	293.501	4.699	70	10	CJIE	
CCOc1cc(F)ccc1N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	217580744	BIVAHJFKRAQJJE-XHBKTUGNSA-N	291.410	4.851	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCCNc1ccc(F)cc1	217899267	PAXQKSFSLBTPBT-OLMNPRSZSA-N	293.426	4.715	70	10	CJIE	
CCCN[C@H](c1ccccc1F)[C@H]1CCC[C@@H](C)C1	218034092	VFSVEWJSUFLYLL-KEYYUXOJSA-N	263.400	4.693	70	10	CJIE	
CC[C@H](N)[C@@H](S[C@H](C)CC)c1ccc(Cl)cc1	218588205	MOVRMQOYBFIRDC-SWHYSGLUSA-N	271.857	4.650	70	10	CJIE	
CC[C@@H]1CC[C@@H](CN)[C@@H](Cc2cccc3ccccc23)C1	218684907	QALZUZITXRFLQH-AYOQOUSVSA-N	281.443	4.784	70	10	CJIE	
CC(C)=C(COC[C@H]1CCC[C@@H](C)C1)[B-](F)(F)F	2301965693	WEDVIZZIYIOFNK-NEPJUHHUSA-N	263.132	4.552	70	10	CJIE	
Cc1cccc([C@@H](O)c2cc3cccc(F)c3o2)c1Cl	159511539	NCMJNYXZTSRYTM-OAHLLOKOSA-N	290.721	4.615	70	10	CJIE	
Cc1ccc(Cl)c2oc(CNC3CC3)c(C3CC3)c12	161417640	UBUIJADDNCYXDP-UHFFFAOYSA-N	275.779	4.524	70	10	CJIE	
CC(C)(C)C[C@@H](NCCCC1CC1)c1ccccc1	161427498	CEVCVPVWSLAPHL-QGZVFWFLSA-N	259.437	4.944	70	10	CJIE	
CCN[C@@H](c1ccc(C)c(C)c1)[C@@H]1CCC[C@@H](C)C1	217993549	MNVXYXXEGVAUKG-MZMPZRCHSA-N	259.437	4.780	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@H](O)[C@@H](Cc2c(F)cccc2Cl)C1	218304064	HVOXDFYBKUTWCY-HSMVNMDESA-N	298.829	4.845	70	10	CJIE	
Fc1cc([C@@H]2C[C@@H]2[B-](F)(F)F)cc(C(F)(F)F)c1	2009403777	GUBGOUKZUYQSAE-IUCAKERBSA-N	270.964	4.549	70	10	CJIE	
CCCc1ccc(OCCCCCCBr)cc1	140757429	FJTLGAGIEJKKGZ-UHFFFAOYSA-N	299.252	4.973	70	10	CJIE	
CC(C)(C)NC[C@H]([C@H]1C[C@@H]1c1ccccc1)C(C)(C)C	159480632	BTSZPDGFYSSLRQ-IXDOHACOSA-N	273.464	4.841	70	10	CJIE	
Cc1cscc1-c1nc(C2CC2)c(CNC(C)C)s1	159524818	XSJVNMNSTSIOMS-UHFFFAOYSA-N	292.473	4.555	70	10	CJIE	
Cc1cccc([C@H](O)c2ccc3c(c2)CCCC3)c1Cl	160412865	YCIVYDYIEPJVPZ-GOSISDBHSA-N	286.802	4.609	70	10	CJIE	
CCCN[C@@H](Cc1cccs1)[C@@H](CC)c1ccccc1	160648484	QQPZLSZMAPVBHB-ROUUACIJSA-N	287.472	4.853	70	10	CJIE	
Cc1cc(CNCc2cc(F)cc(Cl)c2)cc(C)c1F	160962775	KYWUQWZUXVYBQV-UHFFFAOYSA-N	295.760	4.525	70	10	CJIE	
CC(C)[C@@H]1CCCC[C@@H]1NCc1cc(F)cc(Cl)c1	160972664	QYIXNYQRPHZYDT-HOTGVXAUSA-N	283.818	4.784	70	10	CJIE	
Cc1cc(Cl)cc2c(C3CC3)c(CNC(C)C)oc12	161180093	QRYVTNXNMBPQAF-UHFFFAOYSA-N	277.795	4.770	70	10	CJIE	
Cc1ccc([C@H](C)Nc2ccc(C)c(N(C)C)c2)cc1	161205048	VKNFZWCNMOUJOV-HNNXBMFYSA-N	268.404	4.543	70	10	CJIE	
N[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1Cc1ccccc1Cl	217767007	NMJGRDHSMPMNDP-KVSKMBFKSA-N	299.845	4.794	70	10	CJIE	
CCCN[C@@H](c1ccc(F)cc1)[C@H]1CCC[C@@H](C)C1	218028255	GEGUNRRVRWVOMC-KMFMINBZSA-N	263.400	4.693	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](O)[C@@H](Cc2cccc3ccccc23)C1	218323239	ITSFAELHTJLUAQ-POAQFYNOSA-N	282.427	4.816	70	10	CJIE	
CC[C@H]1CCCC[C@H]1[C@@H](O)c1cccc(Cl)c1F	218728905	QGPIMYOIKNEURC-FIXISWKDSA-N	270.775	4.729	70	10	CJIE	
CCCC[C@H](CC)CSc1nc([B-](F)(F)F)cs1	2253018323	XVATYNQQGYBCOD-VIFPVBQESA-N	296.212	4.506	70	10	CJIE	
CC[C@@H]1CCC[C@H](c2nc(CC(C)C)c(CNC)s2)C1	159697275	ZQTNYLKIHZCQHB-KGLIPLIRSA-N	294.508	4.745	70	10	CJIE	
CCSCC[C@@H](C)N[C@H](C)c1ccc(OC(C)C)cc1	160032741	JACCINMQELCTEP-HUUCEWRRSA-N	295.492	4.656	70	10	CJIE	
CC[C@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)C(=O)c1ccccc1	218411593	RBVZFXVBNMWCSC-OIISXLGYSA-N	288.431	4.879	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](N)[C@@H](c2ccccc2C(F)(F)F)C1	218506603	BJJLXTXLHQIHHJ-KYOSRNDESA-N	285.353	4.572	70	10	CJIE	
F[B-](F)(F)/C=C\c1c(Cl)cccc1Br	382577989	AUAFOYXRYZCSOD-PLNGDYQASA-N	284.291	4.502	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl	1885275871	YDVGYWOVRKDGCO-NKWVEPMBSA-N	253.867	4.698	70	10	CJIE	
C=C(CCSc1cc(C)c2ccccc2n1)[B-](F)(F)F	2107128065	ZVAWJTSMAZRNJE-UHFFFAOYSA-N	296.146	4.968	70	10	CJIE	
F[B-](F)(F)c1ccc(OCCCCCCCC2CC2)cc1	2239358910	LZHJRMOIMLCLSW-UHFFFAOYSA-N	299.165	4.870	70	10	CJIE	
CC(C)c1cccc(CN2CCC[C@@H]([B-](F)(F)F)C2)c1	2343752589	AEUBBHCUBSEFKG-OAHLLOKOSA-N	284.154	4.623	70	10	CJIE	
CCN[C@@H](C)c1ccc(Oc2ccc(F)cc2C)c(F)c1	160584843	QLZNSKHNTXIJTP-LBPRGKRZSA-N	291.341	4.736	70	10	CJIE	
CCc1ccc([C@@H](C)NCc2cc(Cl)ccc2F)cc1	160703637	DDUWNZKTIMHTJV-GFCCVEGCSA-N	291.797	4.892	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)CCC(F)(F)F	160821251	YKLYJSHVGBZGHJ-UHFFFAOYSA-N	266.262	4.673	70	10	CJIE	
Cc1ccc(F)c([C@H](N)c2c(C)ccc3ccccc23)c1	160848015	HTBREVFZGRFURL-IBGZPJMESA-N	279.358	4.644	70	10	CJIE	
CN[C@H](c1c(C)ccc2ccccc12)[C@@H]1C[C@@H]2CC[C@@H]1C2	160891853	FUYQCEZZLFTZOI-ODZKNYGOSA-N	279.427	4.845	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1ccc(F)cc1C	161333979	BOVQOYRUMVBJNR-KRWDZBQOSA-N	261.384	4.675	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1cccc2cccnc12	161371584	MJKWBLARSZMJOX-GOSISDBHSA-N	280.415	4.776	70	10	CJIE	
Cc1ccc([C@@H](N)c2c(C)ccc3ccccc23)cc1	160841857	ZDHYKKZUVSHQSN-LJQANCHMSA-N	261.368	4.505	70	10	CJIE	
Clc1ccc(CSCCNC2CCCCCC2)cc1	160969535	PHOQMVFBJGPOJV-UHFFFAOYSA-N	297.895	4.886	70	10	CJIE	
CC[C@@H](C)[C@@H](c1ccccc1)[C@@H](O)c1ccc(F)c(F)c1	218130112	JFWATSYFEYCNSC-UUWFMWQGSA-N	290.353	4.828	70	10	CJIE	
Cc1ccc([C@@H](NC[C@H]2CCCC[C@H]2C)C2CC2)cc1	218154834	WLEOKLMGJDLHQM-ATZDWAIDSA-N	271.448	4.862	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@@H](O)[C@@H](Cc2cccc(Cl)c2)C1	218307802	SSIRPMRJJBFECR-OFQRWUPVSA-N	280.839	4.706	70	10	CJIE	
CN[C@@H]1CCCCCCCCCC[C@@H]1N1CCCC1(C)C	218733064	QCSCYPIFHXCARU-MSOLQXFVSA-N	294.527	4.732	70	10	CJIE	
C=C(CN(Cc1ccccc1)[C@H](C)C(C)(C)C)[B-](F)(F)F	1932002971	CZQBKIVEWQIRKU-CQSZACIVSA-N	298.181	4.866	70	10	CJIE	
CCCCCCCCN1CC[C@](C)([B-](F)(F)F)C1	2303156492	DKEYAXTVZJKWII-ZDUSSCGKSA-N	264.164	4.660	70	10	CJIE	
Cc1cc(C)c(NCc2cccc3c2NCCC3)c(C)c1	159378078	DQLOOHVSAGUSBS-UHFFFAOYSA-N	280.415	4.582	70	10	CJIE	
Cc1nc2c(Cl)cc(Cl)cn2c1-c1cccc(F)c1	159481990	LDGXEXNJAMFBSY-UHFFFAOYSA-N	295.144	4.756	70	10	CJIE	
Cc1cc(C)c([C@@H]2CNc3ccc(Cl)cc3O2)c(C)c1	160575611	PCIIGODFVRFQNJ-INIZCTEOSA-N	287.790	4.811	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@@H](O)[C@@H](Cc2ccccc2Cl)C1	218308323	HDMNPHBOKGLILQ-OFQRWUPVSA-N	280.839	4.706	70	10	CJIE	
Brc1c(C2CCCC2)oc2c1CCCC2	218343806	IRGDRNAYDCGIIJ-UHFFFAOYSA-N	269.182	4.579	70	10	CJIE	
Cc1cc(OC[C@@H]2CCC=CCCC2)ccc1[B-](F)(F)F	2163720005	BAKUBEJLAXYSKQ-CQSZACIVSA-N	297.149	4.565	70	10	CJIE	
CC1(C)CC[C@H](CNc2ccc(-c3ccccc3)cc2)O1	160269199	HWHZOUSYZXPJLY-GOSISDBHSA-N	281.399	4.723	70	10	CJIE	
CN[C@H](c1cc(C)c(F)cc1F)c1cccc(C)c1Cl	160319518	QLITWJSUDLMDOY-INIZCTEOSA-N	295.760	4.544	70	10	CJIE	
CC(C)c1ccccc1NC(=O)N/C=C/c1ccccc1F	217749809	XBZWROGBFHWRMN-VAWYXSNFSA-N	298.361	4.742	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CNC)[C@@H](c2cc(F)ccc2Cl)C1	218524018	OSQHDXULXVVOME-IPYPFGDCSA-N	297.845	4.999	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC1(CNC2CC2)CCCC1	218749580	LDKAFCZYFRISDQ-SZMVWBNQSA-N	293.495	4.529	70	10	CJIE	
CCCN[C@H]1CC[C@H](CCC)C[C@@H]1Oc1ccc(F)cc1	218775117	QHOAKELUEQRHJT-WBAXXEDZSA-N	293.426	4.542	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1O[C@H]1CCC2(CCCC2)C1	2155213320	XQFKJDSXYDMQHZ-AWEZNQCLSA-N	297.149	4.541	70	10	CJIE	
CNc1cc(Oc2ccc(Cl)c3ccccc23)ccn1	159378954	QCTJUDDFLIZPCK-UHFFFAOYSA-N	284.746	4.722	70	10	CJIE	
CC(C)[C@H]1CCC[C@](O)(c2cccc3[nH]ccc23)CC1	159452042	CTNFGHQHNODJMW-KBXCAEBGSA-N	271.404	4.592	70	10	CJIE	
CC(C)(C)c1ccc([C@@H]2CCNC[C@@H]2C2CCCC2)cc1	160118039	ZRFKAQINLFEUHP-RBUKOAKNSA-N	285.475	4.867	70	10	CJIE	
CCN[C@@H](Cc1cccc(C)c1)c1cccc(C)c1Cl	160361420	SWFJDUJDLLIFGA-KRWDZBQOSA-N	287.834	4.850	70	10	CJIE	
CCSCC[C@H](C)Nc1nc2ccc(C)cc2s1	160423611	LWVRVXXGFXYZIO-NSHDSACASA-N	280.462	4.548	70	10	CJIE	
CCN[C@@H](Cc1ccc(F)cc1Cl)C1(C)CCCC1	160628886	YHSMBHYCWGRHKI-HNNXBMFYSA-N	283.818	4.580	70	10	CJIE	
Cc1ccc(F)cc1[C@H](N)c1c(C)ccc2ccccc12	160837566	VRCFIBCPNBNSTK-IBGZPJMESA-N	279.358	4.644	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](O)c1ccc(F)cc1F	161006887	ULROQHZUNZWFCV-GOSISDBHSA-N	284.305	4.508	70	10	CJIE	
CCNCc1oc2c(C)c(C)cc(C)c2c1C(C)(C)C	161216153	ONUITENZVLZLIK-UHFFFAOYSA-N	273.420	4.765	70	10	CJIE	
CCCOc1cccc2c(C(C)(C)C)c(CNCC)oc12	161400202	UVXOHHJAAUSOCS-UHFFFAOYSA-N	289.419	4.629	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1NCc1ccc(O)c(Cl)c1	217521871	IOMZDYZCMRAORI-NOLJZWGESA-N	295.854	4.596	70	10	CJIE	
CN[C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1Cc1cc(F)ccc1F	217754756	ZUDWLERTTKFXRO-VBQJREDUSA-N	295.417	4.558	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCCN[C@@H]1CCC[C@@H](C)C1	217896500	JUIQQINVIKILKY-NNIGNNQHSA-N	295.511	4.632	70	10	CJIE	
CCc1cccc(C)c1NC(=O)N/C=C/C1CCCCC1	218632088	LNJRDLUAQJIDHY-OUKQBFOZSA-N	286.419	4.773	70	10	CJIE	
CN[C@H]1CCCCCCCCCC[C@@H]1N(C)[C@@H](C)C1CC1	218637526	RJKFCGSOBJNXLY-WDSOQIARSA-N	294.527	4.588	70	10	CJIE	
Cc1cc(OC[C@@H]2CCC[C@H](C)C2)c(C)c([B-](F)(F)F)c1	686553081	DGKYLCLEILXJFE-SMDDNHRTSA-N	299.165	4.563	70	10	CJIE	
C=C(CCSC[C@@H]1CCCCC1(F)F)[B-](F)(F)F	2248093547	ZNCQMHINCMORON-JTQLQIEISA-N	287.126	4.878	70	10	CJIE	
C=C(CCN(C)Cc1cccc(C(C)(C)C)c1)[B-](F)(F)F	2290207003	SZBWDXUQPCSFCO-UHFFFAOYSA-N	298.181	4.749	70	10	CJIE	
CCN(CC(=C(C)C)[B-](F)(F)F)c1ccccc1C	2317996892	CJFZTZJCTNOQCE-UHFFFAOYSA-N	270.127	4.544	70	10	CJIE	
CCC1(CC)CCN(CC(=C(C)C)[B-](F)(F)F)CC1	2317998273	PXAOENPINBPXGT-UHFFFAOYSA-N	276.175	4.612	70	10	CJIE	
CC(C)=C(CN1CCCC[C@H]1c1ccco1)[B-](F)(F)F	2340328444	MDDQJQVGCQZLTE-ZDUSSCGKSA-N	286.126	4.530	70	10	CJIE	
CC(C)(C)NC[C@H]([C@@H]1C[C@@H]1c1ccccc1)C(C)(C)C	159480378	BTSZPDGFYSSLRQ-BRWVUGGUSA-N	273.464	4.841	70	10	CJIE	
CCSCC[C@@H](C)Nc1nc2cc(C)ccc2s1	160423200	LDYPDRRRQGHWPQ-LLVKDONJSA-N	280.462	4.548	70	10	CJIE	
Cc1cc([C@@H](N)Cc2ccc(F)cc2Cl)ccc1Cl	160579648	MLOUINZJKKJZAQ-HNNXBMFYSA-N	298.188	4.683	70	10	CJIE	
CNCc1oc2c(C(C)(C)C)cc(C)cc2c1C1CC1	161175138	PXYAETFWUINZHA-UHFFFAOYSA-N	271.404	4.636	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](c2ccccc2OC(C)C)C1	218748248	YTYOTRGNFQCZNR-NUJGCVRESA-N	289.463	4.733	70	10	CJIE	
CCCC[C@H](CC)CO[C@@]1(CNC2CC2)CCC[C@@H](C)C1	218755685	JQFMUAHQNKAZGZ-AOIWGVFYSA-N	295.511	4.920	70	10	CJIE	
C=C(CCSc1nccc2ccccc12)[B-](F)(F)F	2044978620	XXFFBHKWTJWDPA-UHFFFAOYSA-N	282.119	4.660	70	10	CJIE	
O[C@@H](c1cccc(C2CCC2)c1)c1ccc2c(c1)CCC2	160168555	AQGAEZSQMQNUBA-FQEVSTJZSA-N	278.395	4.525	70	10	CJIE	
CC(C)(C)NC[C@H](C[C@H]1CCC(C)(C)O1)c1ccccc1	160924611	JAOAJAQFHUSHKH-DLBZAZTESA-N	289.463	4.506	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](O)CC[C@@H]1CCCCO1	160985385	IYIGKYJQASWWRU-WMZOPIPTSA-N	284.399	4.531	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1ccc(C)c(C)c1	161371055	SARROWSZKVKCQC-GOSISDBHSA-N	257.421	4.845	70	10	CJIE	
CCCc1c(CNCC)oc2c(C(C)C)cccc12	161371255	XDRRVZGEIMGSJS-UHFFFAOYSA-N	259.393	4.618	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)Cc1nc(C)c(C)s1	161395742	OEGCKGGQGAFREJ-MRXNPFEDSA-N	292.492	4.561	70	10	CJIE	
C[C@H]1CCC[C@@H](C)C1N[C@H](C)c1ccc(Cl)s1	217611394	MTAQYKUVKHAVFL-XRJCIJSOSA-N	271.857	4.877	70	10	CJIE	
CN[C@@H](c1ccc2ccccc2c1)[C@@H]1CCC[C@@H](C)C1	217960772	BTEVGURQJPEORX-LSBZLQRGSA-N	267.416	4.927	70	10	CJIE	
CCN[C@@H](Cc1ccc(CC)s1)[C@@H]1CCC[C@@H](C)C1	217987664	XBTDLPGDZFFJKI-CPUCHLNUSA-N	279.493	4.657	70	10	CJIE	
CC(C)(C)/C=C/NC(=O)Nc1ccc2ccccc2c1	218564493	OLTKGOJTCISLCY-ZHACJKMWSA-N	268.360	4.521	70	10	CJIE	
CCCN[C@@H](CO[C@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(C)(C)C	218783593	SOEFOXICDSYCGM-MHORFTMASA-N	297.527	4.878	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@H]1C1CCC(C(F)(F)F)CC1	1895769732	IJUBANJLTRBPEH-ABIFROTESA-N	259.022	4.593	70	10	CJIE	
Cc1cccc([C@@H](C)NCc2cc(F)cc(Cl)c2)c1	160967663	YTKSOYXCLRMWEK-GFCCVEGCSA-N	277.770	4.638	70	10	CJIE	
CCCN[C@H](Cc1ccc(CC)s1)C1(C)CCCC1	161197658	MZLXNURSJZZEIP-MRXNPFEDSA-N	279.493	4.802	70	10	CJIE	
CCN[C@@H](Cc1ccc(CC)s1)C1C(C)(C)C1(C)C	161218440	ZLGFGZWDVBYIPW-AWEZNQCLSA-N	279.493	4.513	70	10	CJIE	
CN[C@H](c1ccc2c(c1)C(C)(C)CCC2(C)C)C(C)C	161486707	AMXXCBDVTGKCBG-KRWDZBQOSA-N	273.464	4.952	70	10	CJIE	
CC(C)c1ccccc1NC(=O)Nc1cccc(F)c1	217310607	TUXNYFZSIKGBNH-UHFFFAOYSA-N	272.323	4.593	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCCCNC1CCCCC1	217886908	YUAJSQYRYDNLJE-QRQLOZEOSA-N	295.511	4.776	70	10	CJIE	
Cc1ccc(Nc2ncc(Cl)cc2Br)cc1	159718643	ZLHLTRLCYMWFMR-UHFFFAOYSA-N	297.583	4.550	70	10	CJIE	
CCCCOCCCNc1nc2ccc(Cl)cc2s1	160391319	COJAUPAOQJEUMD-UHFFFAOYSA-N	298.839	4.568	70	10	CJIE	
Fc1cc(Cl)cc(CNc2cc(F)c(F)c(F)c2)c1	160931726	NQSDWVFDJSPNOZ-UHFFFAOYSA-N	289.659	4.509	70	10	CJIE	
CN[C@H](CC1=CCCCC1)Cc1cccc2ccccc12	161277290	QPJGNVOXAKCRDQ-LJQANCHMSA-N	279.427	4.861	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)Cc1ccncc1Cl	161432558	BVANYYIHKBZPKZ-MRXNPFEDSA-N	292.854	4.536	70	10	CJIE	
CC[C@H](C)[C@H](c1ccccc1)[C@@H](O)C1=CCCCC1	218137032	WIRRCMANULILRM-QGTPRVQTSA-N	258.405	4.678	70	10	CJIE	
CCCN[C@H](Cc1cc(F)cc(F)c1)[C@H]1CC[C@@H](CC)C1	218677654	JRKLUUIAAITCJE-QIIPPGSGSA-N	295.417	4.702	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](CCSc2ccccc2)C1	218727451	LDSUSTPNOPLNJB-IKGGRYGDSA-N	291.504	4.960	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(OCC[C@H]2CCC[C@H](C)C2)c1	2279818488	XIGWLOHBYYUWMI-GXTWGEPZSA-N	299.165	4.645	70	10	CJIE	
CC(C)=C(CN(C)[C@@H](C)C1CC2(CCC2)C1)[B-](F)(F)F	2340140344	IKZIUMDWEFFZLX-LBPRGKRZSA-N	288.186	4.610	70	10	CJIE	
CCCC1CCC(c2nc(C3CC3)c(CNC)s2)CC1	159406011	FQUUQXSCWQERGT-UHFFFAOYSA-N	292.492	4.814	70	10	CJIE	
CCCCC[C@H](NCCC)[C@@H]1C[C@@H]1c1ccccc1	159630157	GKSOPENYSUEUPB-KURKYZTESA-N	259.437	4.739	70	10	CJIE	
CCN[C@H](CC1CCCCC1)c1cccc(F)c1F	161013448	WYRZXJRNLTVOTN-OAHLLOKOSA-N	267.363	4.586	70	10	CJIE	
CO[C@@]1(C(=O)c2ccc3ccccc3c2)CCC[C@@H](C)C1	161013668	ATJKIPBQZRBOMZ-KUHUBIRLSA-N	282.383	4.618	70	10	CJIE	
Cc1nc(C)c([C@@H](C)N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)s1	218483033	CQJLBSIARKUENT-ABYLEIOUSA-N	292.492	4.625	70	10	CJIE	
C=C(CCOc1cccc(Cl)c1Cl)[B-](F)(F)F	1978067194	IAWDAVBVSFBIED-UHFFFAOYSA-N	283.893	4.705	70	10	CJIE	
CC(C)=C(COC[C@H]1C[C@@H]1C1CCCC1)[B-](F)(F)F	2317850778	CLTFUYJWJFLELF-CHWSQXEVSA-N	275.143	4.552	70	10	CJIE	
Cc1ccc([C@@H](N)Cc2ccc(C(C)(C)C)cc2)c(F)c1	161271043	GJRNMOKSXDHQNS-SFHVURJKSA-N	285.406	4.674	70	10	CJIE	
C/C=C\c1ccccc1OCCCCCCNCC(C)C	217133343	SZGABOUUIXFJJG-WCIBSUBMSA-N	289.463	4.905	70	10	CJIE	
CN[C@@H](Cc1c(C)cc(C)cc1C)[C@@H]1CCC[C@@H](C)C1	217972358	KMEPFVFFFKSHRO-XVSDVWIESA-N	273.464	4.569	70	10	CJIE	
CC(C)Oc1ccc([C@@H](C)NC2[C@@H](C)CCC[C@H]2C)cc1	217997803	JUCBPUQUMBEPKI-ONXYJPLBSA-N	289.463	4.949	70	10	CJIE	
CCc1cccc(N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1	218074095	CPRDINDXZXGRDO-QGPMSJSTSA-N	257.421	4.876	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(CO)Nc1ccc(Cl)cc1	218118558	VZQPKWPZYOOCTB-COXVUDFISA-N	295.854	4.575	70	10	CJIE	
CCCCN(CC)[C@@H](C)[C@@H](NCCC)c1ccc(C)cc1	218609048	FQENQPZPUHXBFU-PKOBYXMFSA-N	290.495	4.546	70	10	CJIE	
CCC1(CC)C[C@H](N[C@@H]2C[C@@H](C)CC(C)(C)C2)CCO1	218644224	NBXMFBTWDBENLS-BZUAXINKSA-N	281.484	4.529	70	10	CJIE	
CCCN[C@H]1CC[C@@H](CCC)C[C@@H]1N(CC(C)C)C(C)C	218696485	CIOQXVNWFJUEGK-QYZOEREBSA-N	296.543	4.690	70	10	CJIE	
CCCN[C@@H]1CC[C@@H](CCC)C[C@@H]1N(C)[C@@H](C)C(C)(C)C	218704534	QJEMLAXSBAGGSG-MLHJIOFPSA-N	296.543	4.690	70	10	CJIE	
CCCN[C@@H](CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(C)(C)C	218783428	SOEFOXICDSYCGM-MLHJIOFPSA-N	297.527	4.878	70	10	CJIE	
CC(C)=C(CN(Cc1ccccc1)C(C)C)[B-](F)(F)F	1889010876	PFJZSWWXIHAMPV-UHFFFAOYSA-N	284.154	4.620	70	10	CJIE	
C=C(CCN(Cc1ccccc1)C(C)(C)C)[B-](F)(F)F	1953582446	YDIKSVBBWCJYKQ-UHFFFAOYSA-N	284.154	4.620	70	10	CJIE	
CCNCc1sc([C@H]2CCC[C@H](C)C2)nc1CC(C)C	159772684	OIWFETBRIWJYPP-KBPBESRZSA-N	294.508	4.745	70	10	CJIE	
CC(C)CC1([C@@H](O)c2cccc(OC3CC3)c2)CCCC1	159957912	VAXAEWCYLQUUSH-SFHVURJKSA-N	288.431	4.868	70	10	CJIE	
CCCC(CCC)[C@@H](Cc1ccc(F)cc1Cl)NC	160546448	ADCSRRBEHGUIMI-MRXNPFEDSA-N	285.834	4.826	70	10	CJIE	
CCOC(CC)(CC)C(=O)c1ccc(C(C)(C)C)cc1	160666199	QVSBZFUOGNYLHR-UHFFFAOYSA-N	276.420	4.762	70	10	CJIE	
Cc1ccc2c(c1)[C@H](Nc1ccccc1OC(F)F)CC2	160762452	SHQJHMPEPMHUQT-CQSZACIVSA-N	289.325	4.696	70	10	CJIE	
O=C(Cc1cccc(F)c1)c1cc2ccc(F)cc2s1	161168675	LRMDYXZFJRLONW-UHFFFAOYSA-N	288.318	4.605	70	10	CJIE	
CC[C@@H]1CCc2nc(C3(CC(C)C)CCCC3)[nH]c2C1	216974830	UEMIODDIKHGABA-CQSZACIVSA-N	274.452	4.783	70	10	CJIE	
CC(C)[C@@H](N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1	217896530	YFJUWEBVUIDDKM-CYGHRXIMSA-N	259.437	4.798	70	10	CJIE	
CCCN[C@@H](Cc1cccc(C)c1)[C@H]1CCC[C@@H](C)C1	218030086	NUCADWXXFGRUNL-NEWSRXKRSA-N	273.464	4.732	70	10	CJIE	
CCCN[C@H](Cc1cc(F)ccc1C)[C@@H]1CCC[C@@H](C)C1	218309491	MKSJYYJJYHWDDY-IDHHARJASA-N	291.454	4.871	70	10	CJIE	
CCC(C)(C)C1CCC(C(C)(C)S(=O)(=O)Cl)CC1	725261135	OXRNROADWNQUNB-UHFFFAOYSA-N	294.888	4.576	70	10	CJIE	
CC(C)(C)CC1CC(COc2ccccc2[B-](F)(F)F)C1	2290041453	WFKQMWOEZMPBPI-UHFFFAOYSA-N	299.165	4.582	70	10	CJIE	
C=C(CCOCC1CCCCCCC1)[B-](F)(F)F	2303283724	UJWDATBGIQSBKT-UHFFFAOYSA-N	263.132	4.696	70	10	CJIE	
CC(C)=C(CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)[B-](F)(F)F	2340335199	UYGFOQYWEHRUFL-OSAQELSMSA-N	289.170	4.941	70	10	CJIE	
CCC[C@@H]1CC[C@H](CNC)[C@H]([C@@H]2C[C@@H]2c2ccccc2)C1	159675560	CDQDAFKFAAASBG-RUGGUXRKSA-N	285.475	4.842	70	10	CJIE	
CC(C)Cc1nc([C@@H]2CC[C@@H](C)C2)sc1CNC(C)C	159849078	QORMPQUJEZYLQV-ZIAGYGMSSA-N	294.508	4.743	70	10	CJIE	
CCNC[C@H](C[C@@H]1Cc2ccccc2S1)C1CCCC1	159936393	NOHKXCKMEIYHIE-IRXDYDNUSA-N	289.488	4.509	70	10	CJIE	
Cc1ccccc1[C@@H](N)c1c(C)ccc2ccccc12	160872398	ZEMITPFGLUYYFQ-LJQANCHMSA-N	261.368	4.505	70	10	CJIE	
C[C@@H]1CCC[C@H](NCCSCc2ccc(Cl)cc2)C1	160971121	QMPLYFSPLQGPHJ-CJNGLKHVSA-N	297.895	4.742	70	10	CJIE	
CCC[C@H]1CC[C@H](NC)[C@@H](Cc2ccc(Cl)s2)C1	217710818	CMVDWZBZOPBIKP-SCRDCRAPSA-N	285.884	4.748	70	10	CJIE	
N[C@@H](CCC1CCCC1)C12CC3CC(CC(C3)C1)C2	217764403	DQNSETFUAVFLCI-LESVLKBLSA-N	261.453	4.501	70	10	CJIE	
CO[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(C(C)(C)C)cc1	218038952	VNXAJBNQJZRQBN-JCGIZDLHSA-N	289.463	4.592	70	10	CJIE	
CCN[C@H](c1cc(F)ccc1Cl)[C@@H]1CCC[C@@H](C)C1	218494579	VJJIPRSKPPSSRN-HSMVNMDESA-N	283.818	4.956	70	10	CJIE	
CCC[C@@H]1CC[C@H](CNC)[C@@H](c2cc(F)ccc2Cl)C1	218524170	OSQHDXULXVVOME-NFAWXSAZSA-N	297.845	4.999	70	10	CJIE	
CC(C)NC[C@H](CCSc1ccccc1)C1CCCC1	159970758	IVIFNXMHPBCGOL-KRWDZBQOSA-N	291.504	4.973	70	10	CJIE	
CCCN[C@H](c1cncc(C)c1)C1CCC(C)(C)CC1	160985323	XMKYDOPYEZMGDZ-KRWDZBQOSA-N	274.452	4.647	70	10	CJIE	
Fc1ccc([C@H](NCCCC2CC2)c2ccccc2)cc1	161445911	HOVTURXTHUQKGG-LJQANCHMSA-N	283.390	4.695	70	10	CJIE	
O=C(CC1CCCCC1)N1CCCC[C@H](c2ccccc2)C1	217287311	UVWWMEBWCNLDQL-IBGZPJMESA-N	299.458	4.753	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)C)C[C@@H]1CCCOc1ccccc1	217785442	SKTYLRXCPGQFJS-ZIFCJYIRSA-N	289.463	4.506	70	10	CJIE	
C=C(CCN(C)[C@H](C)c1cccc(Cl)c1)[B-](F)(F)F	2044982788	WYQMQVZKJHZCIT-LLVKDONJSA-N	290.545	4.666	70	10	CJIE	
C=C(CCSC1CC2(CC(C)C2)C1)[B-](F)(F)F	2245191089	XJMJOPOKTKKJEI-UHFFFAOYSA-N	263.157	4.631	70	10	CJIE	
CO[C@H](C)c1cccc(N[C@H](C)c2ccccc2C)c1	159424754	KFOVAIQECGZJDY-HUUCEWRRSA-N	269.388	4.876	70	10	CJIE	
CC(C)(C)[C@@H]1CCC[C@@](O)(c2cccc3[nH]ccc23)CC1	159452701	LWSWBZJUHNMBME-KUHUBIRLSA-N	285.431	4.982	70	10	CJIE	
CCCNCc1sc(-c2cscc2C)nc1C1CC1	159493173	ADDIBMMJOHIQCA-UHFFFAOYSA-N	292.473	4.557	70	10	CJIE	
CCSCC[C@H](C)NC1CC(c2ccccc2Cl)C1	160020640	JCQMFXDOZWQXLJ-HSBZDZAISA-N	297.895	4.707	70	10	CJIE	
CN[C@H](c1ccc(C(C)(C)C)cc1)[C@H]1CCCCS1	161293180	DUJRGVDMHFYFDU-HZPDHXFCSA-N	277.477	4.530	70	10	CJIE	
CCCN[C@H](Cc1ccc(C(C)(C)C)cc1)[C@H](C)C1CC1	161299550	WHYXGNXCEMSNDZ-DNVCBOLYSA-N	287.491	4.941	70	10	CJIE	
c1ccc(-c2ccc(CNCCCC3CC3)cc2)cc1	161416471	KTPBCOUDSVXHJX-UHFFFAOYSA-N	265.400	4.633	70	10	CJIE	
CC[C@@H]1CC[C@H](N)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	217645384	AFXAZMWLNGJJBU-KYJSFNMBSA-N	273.464	4.680	70	10	CJIE	
Cc1cc(CN[C@H]2C[C@H](C)CC[C@H]2C(C)C)cc(C)c1O	217890528	WJVPSFCPVLSOAS-BVGQSLNGSA-N	289.463	4.559	70	10	CJIE	
CC[C@H](N)[C@H](O[C@@H]1CCC[C@@H](C)C1)c1ccc(Cl)cc1	218274010	NDBHRMMWMBAPKL-VDNDLQMASA-N	295.854	4.714	70	10	CJIE	
CC(C)=C(CN1CCCC[C@H]1C1CCCC1)[B-](F)(F)F	2340148855	AFTHEVWSOMPKOT-HNNXBMFYSA-N	288.186	4.754	70	10	CJIE	
CCCn1ncc(Cl)c1[C@H](NCC)C1CCCCCC1	160485107	JFUJROQRHYMXFG-OAHLLOKOSA-N	297.874	4.568	70	10	CJIE	
CC[C@@H]1CCC[C@@H]([C@@H](NN)c2ccccc2C(C)(C)C)C1	217322490	GLJFFDUPDUSDBU-IIDMSEBBSA-N	288.479	4.705	70	10	CJIE	
CCCC[C@@H](CC)CO[C@H](C)[C@@H](O)c1ccc(C)cc1	218558271	CHBNEBXNHAKSBW-JFIYKMOQSA-N	278.436	4.650	70	10	CJIE	
C[C@@H]1C[C@@H]1CCCCCN1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2269442904	OEWKOSLJVXOLAH-QPSCCSFWSA-N	288.186	4.516	70	10	CJIE	
CC(C)(C)C1CCC(N2CC[C@@H]([B-](F)(F)F)C2)CC1	2319658570	SLYNWJRGVDPCSS-OTTFEQOBSA-N	276.175	4.515	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](O)[C@H]1Cc2ccccc21	160980257	NZCLSOHQRRSLBM-ICSRJNTNSA-N	274.363	4.522	70	10	CJIE	
Cc1ccc(C)c([C@@H](O)c2cc3ccc(F)cc3s2)c1	161218920	LCSAANPBSGDSSM-QGZVFWFLSA-N	286.371	4.739	70	10	CJIE	
CCCc1c(CNC(C)C)oc2c(C)ccc(Cl)c12	161497236	SQWQBTXAACWSDX-UHFFFAOYSA-N	279.811	4.845	70	10	CJIE	
Cc1ccc(Oc2ccc(OC[B-](F)(F)F)cc2)cc1	203447718	LHLJLKZSDOPNCT-UHFFFAOYSA-N	281.062	4.553	70	10	CJIE	
Cc1ccc(Cl)c(NCc2ccn(C3CCCC3)n2)c1	217527240	XKKZNIFIJHFTFE-UHFFFAOYSA-N	289.810	4.572	70	10	CJIE	
CCC[C@H]1CC[C@H](NC)[C@@H](Cc2c(C)cc(C)cc2C)C1	217699110	PKFUPJPZWKRXTO-NSHGMRRFSA-N	287.491	4.959	70	10	CJIE	
Cc1ccc(N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c(F)c1	218092601	FWRRBQDQUNKRHH-ISTRZQFTSA-N	261.384	4.761	70	10	CJIE	
Cc1cc(C)c(NC(=O)NC=C2CCCCC2)c(Cl)c1	218694762	WWUQYNLLCZOHGL-UHFFFAOYSA-N	292.810	4.926	70	10	CJIE	
CCN[C@H](c1cccc(Cl)c1F)[C@@H]1CCC[C@@H](C)C1	218731853	NOMQLQREFDWHFU-HSMVNMDESA-N	283.818	4.956	70	10	CJIE	
C=C(COc1cccc(-c2ccccc2)c1)[B-](F)(F)F	2271242425	ASOMDDKBKRNMJW-UHFFFAOYSA-N	277.074	4.675	70	10	CJIE	
CC(C)=C(COc1cccc(Cl)c1F)[B-](F)(F)F	2301965940	YIPFXZRNWVJHMV-UHFFFAOYSA-N	281.465	4.581	70	10	CJIE	
CCCCC[C@@H](NCC)C1C2CC3CC(C2)CC1C3	159615274	OAEULQZFIUEGJR-SVXFNXITSA-N	263.469	4.617	70	10	CJIE	
CCc1ccc(CC)c([C@@H](O)c2cccc(C)c2Cl)c1	160422816	SOBGJMBCQCDCDR-SFHVURJKSA-N	288.818	4.855	70	10	CJIE	
CCCc1c(CNC)oc2c(C(C)(C)C)ccc(C)c12	161196183	NOXNSPCLGAYOOA-UHFFFAOYSA-N	273.420	4.711	70	10	CJIE	
CCN[C@@H]1CC[C@H](CC)C[C@@H]1Cc1c(F)cccc1Cl	217665930	AITGSVIAHQKNTP-OGHNNQOOSA-N	297.845	4.826	70	10	CJIE	
CC(C)(C)c1ccc([C@@]2(N)C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1	217894788	XVUHYOWLZIMQEE-DLCPYMQGSA-N	283.459	4.594	70	10	CJIE	
CCCCN([C@H](C)CC)[C@@H]1C[C@@H](CCC)CC[C@@H]1NCC	218699856	UTSWDOICCOUDAT-YDZRNGNQSA-N	296.543	4.834	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](c2ccccc2C(F)(F)F)C1	218743972	JYNKHVYBZQBFOK-NFAWXSAZSA-N	299.380	4.964	70	10	CJIE	
C=C(CCN(C)[C@@H]1CCC[C@@H](CC)CC1)[B-](F)(F)F	2044973065	UOJYMXGRLKWBKY-ZIAGYGMSSA-N	276.175	4.610	70	10	CJIE	
F[B-](F)(F)C1CCN(C[C@@H]2C[C@H]2C2CCCCC2)CC1	2231065930	OGYBFNDGAMPSPY-ZFWWWQNUSA-N	288.186	4.516	70	10	CJIE	
FC(F)(F)[C@@H]1CCCC[C@@H]1NCc1coc2ccccc12	161083231	JHRFUDODMXRQQF-KGLIPLIRSA-N	297.320	4.644	70	10	CJIE	
Cc1ccc([C@@H](N)Cc2ccc(C(C)(C)C)cc2)cc1C	161253532	JUOOWSKSRPQESP-IBGZPJMESA-N	281.443	4.843	70	10	CJIE	
CCc1c([C@@H](C)NCCCC2CC2)oc2ccccc12	161480472	CYLIGDAYUYURNP-CYBMUJFWSA-N	271.404	4.836	70	10	CJIE	
CCCCCC(CCCCC)NC[C@@H](C)N(C)C1CC1	217620748	MOSBRYRHOVUIRM-MRXNPFEDSA-N	282.516	4.588	70	10	CJIE	
CC(C)(C)c1ccc([C@@]2(O)C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1	217872472	YCWSABIMTBNOBV-DLCPYMQGSA-N	284.443	4.628	70	10	CJIE	
CCCN[C@@H](c1ccc(OC)c(F)c1)[C@@H]1CCC[C@@H](C)C1	218026479	QGNYDDQTNNVXHX-HBUWYVDXSA-N	293.426	4.701	70	10	CJIE	
CC1CCC(CN[C@H]2C[C@H](C)CC[C@H]2C(C)C)CC1	218207643	BIPRQLICJSXINX-OAGCAAQDSA-N	265.485	4.863	70	10	CJIE	
CCC[C@H]1CC[C@@H](CN)[C@@H](Cc2ccc3c(c2)CCC3)C1	218733328	CWGKJYOWVBEVMK-RYGJVYDSSA-N	285.475	4.509	70	10	CJIE	
Cc1ccccc1[C@H](CNC(C)C)O[C@H]1CCC[C@@H](C)C1	218759902	KUFLQRWDJXJVNW-AYBZRNKSSA-N	289.463	4.629	70	10	CJIE	
CC(C)c1ccccc1CN1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2194157332	JPWPEYIHPJBLEN-HOCLYGCPSA-N	296.165	4.623	70	10	CJIE	
C=C(CCOCc1cccc(C(F)(F)F)c1)[B-](F)(F)F	2353126058	MKGSTSVCRNWZQQ-UHFFFAOYSA-N	297.027	4.555	70	10	CJIE	
CN[C@@H](Cc1ccc(F)cc1Cl)CC1CCCCCC1	160556111	UQGNJTOSJHGPFJ-MRXNPFEDSA-N	297.845	4.970	70	10	CJIE	
Cc1ccc2c(c1)[C@H](N[C@H](C)Cc1cccc(Cl)c1)CC2	160786056	MKGDZUHBXVGNFH-AUUYWEPGSA-N	299.845	4.857	70	10	CJIE	
CN[C@H](CC1CCCCC1)c1ccc(OC(F)F)cc1	161044114	BYUFAMMYJOFKGU-OAHLLOKOSA-N	283.362	4.519	70	10	CJIE	
CCCN[C@@H](C)c1cnc(-c2cc(F)cc(Cl)c2)s1	161274260	OVARVMSBPUCNNY-VIFPVBQESA-N	298.814	4.663	70	10	CJIE	
CCCN[C@H](Cc1ccccc1Cl)[C@@H]1CCCCS1	161410314	LYANIGRGUCFOFR-CVEARBPZSA-N	297.895	4.536	70	10	CJIE	
C[C@H]1C[C@H]1c1ccc(CN[C@H](C)c2ccc(Cl)s2)o1	216626736	YYRLKJSPPMCUIS-HOSYDEDBSA-N	295.835	4.969	70	10	CJIE	
CCCN[C@@H](Cc1cccc(F)c1)[C@@H]1CCC[C@@H](C)C1	218020506	ASMWFIDWIVHVPA-KYJSFNMBSA-N	277.427	4.563	70	10	CJIE	
Cc1cc(O[C@@H]2CC[C@H](C)[C@H](C)C2)c(C)c([B-](F)(F)F)c1	686553463	VEYRLTCIDBKDEU-OUCADQQQSA-N	299.165	4.561	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@H]1c1ccc(Cl)c(Br)c1	1885274871	PLYZYYFMRMDKCY-BQBZGAKWSA-N	298.318	4.807	70	10	CJIE	
C=C(CCN(C)[C@@H](C)c1ccccc1Cl)[B-](F)(F)F	2044982629	VCYSYIDWUCUULO-NSHDSACASA-N	290.545	4.666	70	10	CJIE	
Cc1cc(C)c(C)c([C@H](N)c2cccc(C)c2Cl)c1C	160278552	OMVFRAOGLPZZAK-GOSISDBHSA-N	287.834	4.930	70	10	CJIE	
CC(C)C[C@H](Nc1cccc(N(C)C)c1)c1ccccc1	161121254	RRLBZAMNXIEQHM-IBGZPJMESA-N	282.431	4.952	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)s1)C1(CC)CCCC1	161168141	KWXJPXOEKJWZIW-MRXNPFEDSA-N	279.493	4.802	70	10	CJIE	
CCc1cccc2c(C(C)C)c(CNCC(C)C)oc12	161423256	ZNSFCKUMBMNVQF-UHFFFAOYSA-N	273.420	4.864	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@@H](N)[C@@H](Cc2ccccc2Cl)C1	217747959	FVLXYHCBDUOQLV-SQWLQELKSA-N	279.855	4.672	70	10	CJIE	
CC[C@@H](C)[C@H](c1ccccc1)[C@@H](N)C1=CCCCC1	217882478	GHWGMIPWOROVPR-OLMNPRSZSA-N	257.421	4.644	70	10	CJIE	
C[C@@H]1CCC[C@@H](S[C@H](C)CNc2ccccc2)C1	217922203	VRUVNQFBRZQXBB-IIAWOOMASA-N	263.450	4.799	70	10	CJIE	
CCN[C@@H](Cc1c(C)cc(C)cc1C)[C@H]1CCC[C@@H](C)C1	218002879	FTIALSMUPQJJHH-WNYOCNMUSA-N	287.491	4.959	70	10	CJIE	
CCCN[C@H](Cc1cccc(F)c1)[C@H]1CCC[C@@H](C)C1	218020758	ASMWFIDWIVHVPA-UWWQBHOKSA-N	277.427	4.563	70	10	CJIE	
CCOc1cccc(N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1	218106590	AFAYDNVSWQNGRI-MZMPZRCHSA-N	273.420	4.712	70	10	CJIE	
CC[C@@H](N)[C@@H](O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(C)(C)C	218253065	PDUMPGCDMYTUGB-MZBWOGCUSA-N	283.500	4.616	70	10	CJIE	
Cc1c(Br)ccc2[nH]c(C(C)C)c(C)c12	218576100	HLTYHVDLKDSTKJ-UHFFFAOYSA-N	266.182	4.671	70	10	CJIE	
CCC(CC)c1ccc(C(C)=O)cc1Br	218679890	FETHUROACFJYAL-UHFFFAOYSA-N	269.182	4.555	70	10	CJIE	
CCCN[C@@H]1CCCCCC[C@@H]1N(C)[C@@H]1CCC[C@@H](C)C1	218681349	DIRIJBZVKCHVPD-MKXGPGLRSA-N	294.527	4.588	70	10	CJIE	
F[B-](F)(F)C=C1CN(Cc2ccccc2)C2(CCCC2)C1	1934843418	UGKJGBFGDDMQIF-UHFFFAOYSA-N	294.149	4.518	70	10	CJIE	
CCCCCCCCCCC[C@H](C)S(=O)(=O)F	1952115637	VWCKYOSHDKOYGY-ZDUSSCGKSA-N	266.422	4.595	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1OCC[C@H]1CCC[C@@H](C)C1	2279814752	UPXLLGUEEVQIQL-TZMCWYRMSA-N	299.165	4.645	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](N)C[C@H]1C[C@@H]2CC[C@@H]1C2	160874835	PRVRJWKEAMLSQB-MYZZLAAOSA-N	279.427	4.974	70	10	CJIE	
C[C@H]1CCC[C@H](CCNCc2coc3ccccc23)C1	161103879	OKFRFOCWEOUAIY-LSDHHAIUSA-N	271.404	4.739	70	10	CJIE	
Cc1cccc([C@@H](C)Nc2ccc(C)c(N(C)C)c2)c1	161169233	IBJOBEAQDOCHPX-OAHLLOKOSA-N	268.404	4.543	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)Cc1cc(C)cc(C)c1	161333014	GAQSOCLKMPHGDF-IBGZPJMESA-N	271.448	4.715	70	10	CJIE	
CCCC[C@H](CC)C[C@@]1(N)C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217890474	SNEUFMHZEJIAIJ-SJUNHDGSSA-N	263.469	4.747	70	10	CJIE	
C[C@H]1CCC[C@H]([C@@H](N)c2ccc(C(C)(C)C)cc2)C1	217953564	JIRGWLZRDBGJOC-QRTARXTBSA-N	259.437	4.810	70	10	CJIE	
C[C@H]1Cc2cc([C@@H](O)C[C@H](C)CC(C)(C)C)ccc2O1	218134275	IINQXHUJVCBIBI-XEZPLFJOSA-N	276.420	4.506	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCCc1cc(F)cc(F)c1	218191615	ORVOVRABDBDHGK-XWIAVFTESA-N	295.417	4.558	70	10	CJIE	
CCCNC[C@@H](O[C@H]1CCC[C@@H](C)C1)c1ccc(C)cc1	218758715	IKVUUBATUJHCEV-NZSAHSFTSA-N	289.463	4.631	70	10	CJIE	
CCC[C@H]1CC[C@@H](CN)[C@@H](Cc2cc(C)ccc2C)C1	218759371	COURNTYTASGDOF-JENIJYKNSA-N	273.464	4.637	70	10	CJIE	
CC(C)(C)CCOc1ccc2cc([B-](F)(F)F)ccc2c1	301314145	YXOVVTOANPHOTL-UHFFFAOYSA-N	295.133	4.709	70	10	CJIE	
F[B-](F)(F)[C@H]1CCCN(CC[C@@H]2CCCCC23CC3)C1	2264940266	LPPWWYXXWCYHHY-KBPBESRZSA-N	288.186	4.660	70	10	CJIE	
C[C@@H](CN1CC[C@@H]2C[C@]2([B-](F)(F)F)C1)C1CCCCC1	2332306146	IJAISDRETPHIJZ-CFVMTHIKSA-N	288.186	4.516	70	10	CJIE	
ClCc1ccc(-c2cccc3ccccc23)cn1	145543292	JOBIRKBWCUBLSW-UHFFFAOYSA-N	253.732	4.641	70	10	CJIE	
CCSCC[C@@H](C)N[C@@H]1c2ccccc2CCC1(C)C	159944055	FGSCLUHADIIRND-RHSMWYFYSA-N	291.504	4.821	70	10	CJIE	
CCOc1ccc(C)cc1C(=O)c1cccc(C)c1Cl	160269827	FQCNVVRTBSIZRO-UHFFFAOYSA-N	288.774	4.587	70	10	CJIE	
CC(C)[C@@H](NCc1ccc(Cl)cc1F)c1ccccc1	160705008	ALLNTOZUUBAGDA-QGZVFWFLSA-N	291.797	4.966	70	10	CJIE	
CCCNCc1oc2c(C)cc(Cl)cc2c1CCC	161182314	NLAQROULEVGQNB-UHFFFAOYSA-N	279.811	4.847	70	10	CJIE	
CCc1ccc(C[C@H](N)c2ccccc2C(C)(C)C)s1	161241325	XGNQAWCPNPESST-KRWDZBQOSA-N	287.472	4.851	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)[C@H]1CCOC2(CCCCC2)C1	161281663	BJRQKSDDFYVDOJ-ROUUACIJSA-N	291.479	4.594	70	10	CJIE	
COC1(C(=O)c2cc(C)c(C)cc2C)CCCCCC1	161317061	YHCKPJMAYFJSBM-UHFFFAOYSA-N	274.404	4.534	70	10	CJIE	
Cc1ccccc1C1CC(N[C@H]2CCC[C@@H](C)[C@H]2C)C1	218066146	XJFXJROTDJOXHA-SFKRPBIUSA-N	271.448	4.655	70	10	CJIE	
CC1CCC(CN[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1	218207138	VOJMGXPHCPJAGA-OUZBTXLXSA-N	263.469	4.617	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@@H](O)[C@@H](Cc2ccc(F)cc2Cl)C1	218304873	WZXFSWPIRZXZEK-HEHGZKQESA-N	298.829	4.845	70	10	CJIE	
CCCCC[C@H](C)OCC(=C(C)C)[B-](F)(F)F	1901640325	TVXPNRAHJFVFQE-NSHDSACASA-N	251.121	4.695	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OCC1(C)CC(C)(C)C1	2236597059	SHQLJPDRICWODX-UHFFFAOYSA-N	299.165	4.509	70	10	CJIE	
CCCNc1cc(Oc2ccc(C(C)C)cc2)ccn1	159370292	QBUDSSVINWYINV-UHFFFAOYSA-N	270.376	4.819	70	10	CJIE	
Cc1cc2nc(C3C4CC5CC(C4)CC3C5)[nH]c2cc1C	160186382	VVERVDPTRUDTEL-UHFFFAOYSA-N	280.415	4.719	70	10	CJIE	
Fc1cc(Cl)ccc1CNc1cccc2c1CCCC2	160638433	RHUIUJKVEVHGIV-UHFFFAOYSA-N	289.781	4.970	70	10	CJIE	
CCN[C@H](CC1CCCCC1)c1ccc(C)cc1F	161047903	UTQOUURETZVIRY-QGZVFWFLSA-N	263.400	4.755	70	10	CJIE	
CC(C)(C)c1ccc([C@H](N)CC2=CCCCC2)cc1	161179101	XVIBUIYYTBOASI-QGZVFWFLSA-N	257.421	4.874	70	10	CJIE	
CC(C)Oc1cccc([C@@H](C)N[C@@H]2CCC[C@@H](C)C2)c1	217700844	GQJDDUHPSDHCKT-BFYDXBDKSA-N	275.436	4.703	70	10	CJIE	
CCC[C@@H]1CC[C@H](NC)[C@@H](Cc2cccc(Cl)c2)C1	217709073	VCOKJYSAIAMKTC-UNEWFSDZSA-N	279.855	4.687	70	10	CJIE	
FC(F)(F)CSc1ccccc1N[C@@H]1C[C@@H]2CC=C[C@H]21	218103088	CSNNPBXJTKAMBU-DMDPSCGWSA-N	299.361	4.718	70	10	CJIE	
CC[C@@H]1CC[C@H](CN)[C@@H](c2ccccc2C(F)(F)F)C1	218676230	UZQJSPWEFLUBQY-BZPMIXESSA-N	285.353	4.574	70	10	CJIE	
CCCN[C@@H]1CCCCC[C@H]1O[C@@H]1C[C@@H](C)CC(C)(C)C1	218752446	CXWXKULJICFZQS-BRSBDYLESA-N	295.511	4.919	70	10	CJIE	
CCCN[C@@H](CCC)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	218784058	QLQHTJPRZQTXQY-WNRNVDISSA-N	283.500	4.632	70	10	CJIE	
CCN[C@H](c1c(Cl)cnn1C(C)C)[C@H]1CC[C@@H](CC)C1	160595262	VXCMQGAYQIISOU-IPYPFGDCSA-N	297.874	4.594	70	10	CJIE	
Cc1ccc2c(c1)[C@H](Nc1cc(F)cc(F)c1F)CC2	160823833	ROONPNIFMYBVPO-CQSZACIVSA-N	277.289	4.512	70	10	CJIE	
CCCN[C@@H](c1c(C)ccc2ccccc12)[C@H]1C[C@@H]1C	160932258	IJGZTNBRZKTCQG-UCLAIMLFSA-N	267.416	4.845	70	10	CJIE	
CCCc1ccc(C(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1	161177253	GLNRKFSOPQNWOE-BEFAXECRSA-N	288.431	4.807	70	10	CJIE	
C[C@H]1CCC[C@@H]1N[C@H](C)c1c(Cl)ccc(F)c1Cl	218211483	GZHUAIMGDGONAW-SBMIAAHKSA-N	290.209	4.972	70	10	CJIE	
CC(C)=CCC[C@H](C)OCC(=C(C)C)[B-](F)(F)F	2302785117	OLXLTSQYLSSAJH-LBPRGKRZSA-N	263.132	4.861	70	10	CJIE	
CCOC1(C(=O)[C@H]2CCCC[C@H]2CC)CCCCCC1	161336628	MCIFZBDHIYKGBC-CVEARBPZSA-N	280.452	4.901	70	10	CJIE	
CCCN[C@@H](c1ccc(CC)cc1)[C@@H]1CCCCS1	161449117	KWKAMWXYCQENCJ-IRXDYDNUSA-N	277.477	4.575	70	10	CJIE	
CCCc1ccc2oc(CNC3CC3)c(CC(C)C)c2c1	161454880	SMBVXALJSLFCFE-UHFFFAOYSA-N	285.431	4.836	70	10	CJIE	
Cc1ccc(C)c(C[C@]2(N)C[C@H](C)CC[C@H]2C(C)C)c1	217881153	GWXRURWICPOVNP-AYOQOUSVSA-N	273.464	4.636	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1N[C@@H](C)c1ccc(O)cc1	217882851	XWHQBLAUHJGKQH-BODMPHMZSA-N	275.436	4.504	70	10	CJIE	
Cc1ccccc1NCCO[C@H]1C[C@@H](C)CC[C@H]1C(C)C	217895677	ITJUBLATNHODGJ-IEZWGBDMSA-N	289.463	4.884	70	10	CJIE	
Cc1ccc(N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c(C)c1	218050304	BORKKAONKPIXBP-QILLFSRXSA-N	257.421	4.930	70	10	CJIE	
C[C@@H](N[C@H](c1ccccc1)C(C)(C)C)[C@@H]1C[C@H]2C=C[C@H]1C2	218112575	JNLFBKQCNPIIRN-ZDMKNRLGSA-N	283.459	4.964	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](c2cccc(C)c2C)C1	218719618	NKYHLROVOMOSLO-NUJGCVRESA-N	259.437	4.562	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1O[C@H]1C=CCCCCC1	2197462325	WQIUFFBRRRMDLY-HNNXBMFYSA-N	297.149	4.571	70	10	CJIE	
CCCOc1ccc([C@H](C)N[C@@H](C)CCSCC)cc1	160052281	ZVGLFDSNOXICIO-GJZGRUSLSA-N	295.492	4.658	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1cc(C)cc(F)c1	161375446	XOVIDZMOLOTFFH-QGZVFWFLSA-N	261.384	4.675	70	10	CJIE	
CCCNCc1oc2c(CC)cccc2c1CC(C)C	161420012	AZRSHAPIKKYBPB-UHFFFAOYSA-N	273.420	4.693	70	10	CJIE	
C[C@H]1CCCc2[nH]c(CC34CC5CC(CC(C5)C3)C4)nc21	216831726	QMQNAUXGJUHDGG-UHSVVUDUSA-N	284.447	4.608	70	10	CJIE	
CC[C@@H](C)c1ccccc1NC(=O)NCc1cccs1	217301460	CRIDNSLJXQCMJJ-GFCCVEGCSA-N	288.416	4.583	70	10	CJIE	
CC[C@@H](C)[C@H](c1ccccc1)[C@@H](NC)c1cc(C)oc1C	217877660	CPFVZJBFKUOILB-ZNOIYHFQSA-N	285.431	4.987	70	10	CJIE	
CCCN[C@@H](CCOc1ccccc1)[C@@H]1CCC[C@@H](C)C1	218023095	RDOPZXTUSOGROQ-LMMKCTJWSA-N	289.463	4.650	70	10	CJIE	
Cc1cc2c(n1[C@H]1CCC[C@@H](C)[C@H]1C)CC(C)(C)C[C@@H]2N	218615058	KJGXKHBHNGJQFS-IRWJRLHMSA-N	288.479	4.766	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OCCC1=CCCCC1	2197470976	WUSFCAFIYMXNJC-UHFFFAOYSA-N	297.149	4.573	70	10	CJIE	
CCCNC[C@@H]1CCCCC[C@@H]1[C@@H]1C[C@@H]1c1ccccc1	159670090	VEBWZRXGZPRIFB-HAGHYFMRSA-N	285.475	4.986	70	10	CJIE	
CC(C)c1ccc([C@@H](O)C2C3CC4CC(C3)CC2C4)cc1	160217771	QZAHQIYXJGQBGJ-WALIIPOLSA-N	284.443	4.916	70	10	CJIE	
CCc1ccc2oc(CNC(C)C)c(CC(C)C)c2c1	161369406	RQUGFSBUQPHVLC-UHFFFAOYSA-N	273.420	4.692	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1NC1[C@@H](C)CCC[C@@H]1C	217867072	COTNLVDHJLHXHZ-VIQHNZTISA-N	265.485	4.862	70	10	CJIE	
CC[C@@H](N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1OC	217883169	IAGXHIBXAHRPRL-YALNPMBYSA-N	275.436	4.561	70	10	CJIE	
CCCOc1ccc([C@H](NCC)[C@H]2CCC[C@@H](C)C2)cc1	217995621	IEYQUVBKRDLCRO-AYBZRNKSSA-N	289.463	4.952	70	10	CJIE	
CCN[C@H](Cc1ccccc1Cl)[C@@H]1CCC[C@@H](C)C1	218001202	SJXLIFRELMUTLZ-FRFSOERESA-N	279.855	4.687	70	10	CJIE	
CCCCCCOc1ccc2cc([B-](F)(F)F)ccc2c1	379444375	LLLRHKQOEHOYSO-UHFFFAOYSA-N	295.133	4.853	70	10	CJIE	
C[C@H]1CCC[C@@H](Oc2nc3ccccc3cc2CCl)C1	20517656	TUZKUQOYGVPJND-SWLSCSKDSA-N	289.806	4.931	70	10	CJIE	
O[C@H](CC1CCCCCC1)c1cccc(OC2CC2)c1	159961853	LQSZKCKIGKZDEC-GOSISDBHSA-N	274.404	4.622	70	10	CJIE	
CCN[C@H](c1ccc(C)s1)C1C2CC3CC(C2)CC1C3	160135094	DRESNFPGHVWPIC-NEPSPCKVSA-N	289.488	4.779	70	10	CJIE	
Cc1cc([C@H](N)C2C3CC4CC(C3)CC2C4)cc(C)c1F	160147623	WPKKRKKVPMFOFM-JGUZVMMMSA-N	287.422	4.515	70	10	CJIE	
Cc1cccc([C@@H](C)N[C@H]2CCC[C@H](C3CC3)C2)c1	160158086	VPQQXGFNHWGZCM-JLSDUUJJSA-N	257.421	4.614	70	10	CJIE	
CCc1ccc(CC)c([C@H](N)c2cccc(C)c2Cl)c1	160313894	YBKRIFMSNNUJOW-GOSISDBHSA-N	287.834	4.821	70	10	CJIE	
CCCN[C@@H](CC)c1ccccc1N1CC[C@H](C(C)C)C1	160339488	CTSMITBSPGJQTF-WMZOPIPTSA-N	288.479	4.620	70	10	CJIE	
Cc1cc(Cl)cc([C@H](O)Cc2ccc(Cl)cc2F)c1	160401149	OUDKBPMVDPHAIA-OAHLLOKOSA-N	299.172	4.717	70	10	CJIE	
CCc1ccsc1[C@H](N)c1c(C)ccc2ccccc12	160869820	VQCRGWYQIXGZTQ-QGZVFWFLSA-N	281.424	4.820	70	10	CJIE	
CCCC[C@@H](CC)C[C@@H](NCCC)[C@@H]1CCCS1	161130806	AUFVBBOWIQITNI-OAGGEKHMSA-N	271.514	4.857	70	10	CJIE	
C1=C[C@@H]2[C@@H](C1)C[C@H]2Nc1ccc(Oc2ccccc2)cc1	217813309	SNBHVDYHSQYQHM-GDIGMMSISA-N	277.367	4.855	70	10	CJIE	
Cc1cc(N(C)C)ccc1N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218117171	BOVBZMURZJHHQC-DKSSEZFCSA-N	286.463	4.688	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1cc(F)c(F)c(F)c1	218196227	KJOWHBVNDCKBIS-WBIUFABUSA-N	285.353	4.977	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)C[C@@H]1CCCc2ccccc21	161265824	CRTRRCOOZFMZDU-OALUTQOASA-N	283.459	4.975	70	10	CJIE	
CC(C)CNCc1oc2c(F)c(F)ccc2c1C(C)C	161469000	NPFWHQFMXNYCOA-UHFFFAOYSA-N	281.346	4.580	70	10	CJIE	
CCN[C@H](Cc1cccc(Cl)c1)[C@H]1CCC[C@@H](C)C1	217996284	OLDDNVSLFSCABL-UKPHBRMFSA-N	279.855	4.687	70	10	CJIE	
CCCN[C@H](c1ccc(F)cc1)[C@H]1CCC[C@@H](C)C1	218028177	GEGUNRRVRWVOMC-UKPHBRMFSA-N	263.400	4.693	70	10	CJIE	
Cc1ccc(C)c(N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1	218079209	VWTAQYRUPLJEMS-YXJHDRRASA-N	257.421	4.930	70	10	CJIE	
Cc1cc(N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)ccc1F	218196993	FLOYJMHXRWMDGT-SRCQZFHVSA-N	261.384	4.761	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@@H](O)[C@@H](C/C=C\c2ccccc2)C1	218306731	OWNRNUHIFBBYKM-HVOUXXQGSA-N	272.432	4.913	70	10	CJIE	
Cc1ccc([C@H](O)[C@H](C)O[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1	218555247	GXIJKXXBOKMKQB-CYGHRXIMSA-N	290.447	4.648	70	10	CJIE	
CCCC[C@H](CC)CO[C@H](CC)[C@@H](O)c1ccccc1	218556984	XUTYWQFUHCENTH-JQHSSLGASA-N	278.436	4.732	70	10	CJIE	
CCC[C@H]1CC[C@H](CN2CCC([B-](F)(F)F)CC2)CC1	2231066276	PVFWHUVNBAIEDE-HDJSIYSDSA-N	290.202	4.906	70	10	CJIE	
C[C@]1([B-](F)(F)F)CCN(C[C@@H]2C[C@@H]2C2CCCCC2)C1	2342493171	OCJKNVLTCVFSSP-ZNMIVQPWSA-N	288.186	4.516	70	10	CJIE	
CC[C@@H]1CCC[C@@H](N[C@H](C)c2ccc(F)cc2)CC1	159838871	IXACZOQCWDESOF-CKEIUWERSA-N	263.400	4.835	70	10	CJIE	
CCC(C)(C)[C@@H](NC)c1c(C)ccc2ccccc12	160898232	CZOKLWCSUPUWSC-KRWDZBQOSA-N	255.405	4.845	70	10	CJIE	
Cc1ccc([C@@H](O)c2c(C)ccc3ccccc23)c(C)c1	161004978	YAWQXVTYYMMKIC-HXUWFJFHSA-N	276.379	4.847	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)c1ccc(C)cc1	161425915	PTSQEXFPQVMUGS-GOSISDBHSA-N	257.421	4.926	70	10	CJIE	
CCCCCN(C(C)C)[C@H](c1ccccc1F)[C@@H](N)CC	217825154	CJPAIWDPTSNDBA-ZWKOTPCHSA-N	294.458	4.505	70	10	CJIE	
CC[C@@H]1CCCC[C@@H]1N[C@H](c1ccccc1)c1ccco1	217851424	SOKLZILVWQLIOX-HHXXYDBFSA-N	283.415	4.927	70	10	CJIE	
CC[C@H](C)c1ccccc1O[C@@H](c1ccco1)[C@@H](N)CC	218103750	SWWIZSINPSSWQK-DHSIGJKJSA-N	287.403	4.651	70	10	CJIE	
C[C@@H]1CC[C@H](CNC2CC2)[C@@H](c2cc(F)ccc2Cl)C1	218521815	XDEIXLFEMNEHIZ-JMSVASOKSA-N	295.829	4.751	70	10	CJIE	
CC[C@@H]1CCCC[C@@H]1[C@@H](NC)c1cccc(Cl)c1F	218730834	RZMDMJDGVJAMRN-BFQNTYOBSA-N	283.818	4.956	70	10	CJIE	
CC[C@@H]1CCCC[C@H]1OC[C@@H](NC)c1ccc(C)cc1C	218781989	QCVORPDVKGPEQU-BHIYHBOVSA-N	289.463	4.549	70	10	CJIE	
CCCC1(CCC)CN([C@H]2CCCc3cc(N)ccc32)C1	159566825	VLZRXYMMTPNSDN-SFHVURJKSA-N	286.463	4.548	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](Nc1cnc3ccccc3c1)CC2	160784632	IXUOXVWZOCIZGT-IBGZPJMESA-N	274.367	4.643	70	10	CJIE	
CN[C@H](c1c(C)ccc2ccccc12)C1(C)CCCC1	160903073	CAMPWZMCSXLKNS-GOSISDBHSA-N	267.416	4.989	70	10	CJIE	
CC(C)Oc1cccc(C(=O)CC2=CCCCC2)c1	161013397	JSUXORSIVHJQQV-UHFFFAOYSA-N	258.361	4.547	70	10	CJIE	
CC[C@H]1CCCC[C@H]1O[C@H](c1cccc(F)c1)[C@H](N)CC	218242964	WGYWDSKZAHDNHS-OKDNKWQNSA-N	293.426	4.590	70	10	CJIE	
CC[C@@H]1CC[C@@H](CN)[C@@H](c2ccc(C(C)C)cc2)C1	218650056	DFUJHJDTHXEQHW-FHLIZLRMSA-N	259.437	4.679	70	10	CJIE	
CCCN[C@H]1CCCCC[C@H]1O[C@@H]1C[C@@H](C)CC(C)(C)C1	218752493	CXWXKULJICFZQS-ZJPYXAASSA-N	295.511	4.919	70	10	CJIE	
CCC[C@H]1CC[C@@H](CN)[C@@H](Cc2ccc(F)cc2Cl)C1	218754187	LJPCPQSQYYQFQD-AEGPPILISA-N	297.845	4.813	70	10	CJIE	
O[C@H](c1cc2c(s1)CCC2)c1ccccc1C1CCC1	159994403	IWRIOEJQTUYWKD-SFHVURJKSA-N	284.424	4.586	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](N)CC1CCCC1	160863024	MNFHXCPYKCPGDO-QGZVFWFLSA-N	253.389	4.728	70	10	CJIE	
Cc1ccc2c(c1)[C@@](O)(Cc1csc3ccccc13)CC2	160918912	ZHNQHVSTTBPARK-IBGZPJMESA-N	294.419	4.586	70	10	CJIE	
C[C@@H](Nc1cccc(N(C)C)c1)c1cc2ccccc2o1	161072313	LYRJIWFZPFMFSK-CYBMUJFWSA-N	280.371	4.672	70	10	CJIE	
CCN[C@H](c1ccc(C(C)C)cc1)[C@H]1CCCCS1	161318848	SBRZZQDNNLMRPQ-IAGOWNOFSA-N	277.477	4.746	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc(-c3cnccc3N)ccc21	161494505	IRUCEAMRNDCKLS-UHFFFAOYSA-N	280.415	4.680	70	10	CJIE	
CCCC(CCC)C(=O)O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	217933458	OJLJSIUQNNHIBI-RVKKMQEKSA-N	280.452	4.961	70	10	CJIE	
Cc1sc([C@H]2C[C@H]2[B-](F)(F)F)cc1Br	1882176527	HVCYGHMGGDDUMH-NTSWFWBYSA-N	283.929	4.524	70	10	CJIE	
CC[C@H]1CC[C@H](COc2ccc([B-](F)(F)F)cc2C)CC1	2193123342	ULRUWEKBUGVQGZ-HDJSIYSDSA-N	299.165	4.645	70	10	CJIE	
CCOc1ccc(NCc2ccc([C@@H]3C[C@H]3C)o2)cc1F	159495892	IUWCUNXHNGVDDA-BXUZGUMPSA-N	289.350	4.553	70	10	CJIE	
CC[C@H]1CC[C@@H](c2nc(C3CC3)c(CNC(C)C)s2)C1	159542406	AOGJTMOAKLYSBE-GXTWGEPZSA-N	292.492	4.812	70	10	CJIE	
O[C@@H](c1ccc2c(c1)CCC2)c1cc2cccc(Cl)c2o1	159646251	LAMAFMWVVASQLA-KRWDZBQOSA-N	298.769	4.657	70	10	CJIE	
O=C(Cc1ccccc1Cl)C1C2CC3CC(C2)CC1C3	160164961	YAPFJYCWEOSANV-UHFFFAOYSA-N	288.818	4.524	70	10	CJIE	
CCCN[C@@H](C)c1ccccc1Oc1ccc(F)cc1C	160582393	ZYXCYGDMGIBKRR-AWEZNQCLSA-N	287.378	4.987	70	10	CJIE	
CCOC1(C(=O)c2cc(C)ccc2C)CCCCCC1	161359526	GNAPUUQSUCARFY-UHFFFAOYSA-N	274.404	4.616	70	10	CJIE	
Cc1cc(Cl)c2oc(CNC3CC3)c(C3CC3)c2c1	161459182	NYWVGAVPIIISLX-UHFFFAOYSA-N	275.779	4.524	70	10	CJIE	
CCCN[C@H]1CC[C@@H](CCC)C[C@@H]1n1ccnc1C(C)C	216785404	BJLDXTNAWXWDKY-IKGGRYGDSA-N	291.483	4.516	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@@H](N)[C@@H](Cc2ccc(Cl)cc2)C1	217747076	DTVDMDLRPXCAJX-OFQRWUPVSA-N	279.855	4.672	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1c1ccc(Cl)c(Br)c1	1885274873	PLYZYYFMRMDKCY-RNFRBKRXSA-N	298.318	4.807	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCN(C[C@@H]2C[C@H]2C2CCCCCC2)C1	2342521926	BOQAQHSSCRLYRH-ZNMIVQPWSA-N	288.186	4.516	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](Nc1ccc3oc(C)nc3c1)CC2	160767068	ZBMHRBDTLKYPOK-INIZCTEOSA-N	278.355	4.544	70	10	CJIE	
CC[C@H](N[C@H]1C[C@@H](C)CC(C)(C)C1)c1ccccc1	218180141	FSRXXNLZOCHMRG-PVAVHDDUSA-N	259.437	4.942	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@@H](O)[C@@H](Cc2ccc(Cl)cc2)C1	218307560	XTINERUTRKTCSK-OFQRWUPVSA-N	280.839	4.706	70	10	CJIE	
CCCCCC[C@H](C)O[C@]1(CNCC)CCC[C@@H](C)C1	218757260	QDNQCPTZRFQTGD-FGTMMUONSA-N	283.500	4.920	70	10	CJIE	
CCC[C@@H](CC)COCC(=C(C)C)[B-](F)(F)F	1905355442	XPRFOYFBYDPTGT-LLVKDONJSA-N	251.121	4.552	70	10	CJIE	
CCCCCOc1ccc(C=C[B-](F)(F)F)cc1	1912230649	PAQHLVUADCEWFJ-UHFFFAOYSA-N	257.084	4.655	70	10	CJIE	
CC(C)c1cccc(CN2CCC([B-](F)(F)F)CC2)c1	2343753350	KKPLTOKOYUJHOL-UHFFFAOYSA-N	284.154	4.623	70	10	CJIE	
Cc1cc([C@H](O)c2ccccc2C2CCC2)c(F)cc1F	160005761	JFCQRGIXWXZSEI-GOSISDBHSA-N	288.337	4.622	70	10	CJIE	
Cc1ccc([C@H](C)N[C@H]2CCc3ccc(C)cc32)c(C)c1	160807859	JXODCDGMYRGPDW-JXFKEZNVSA-N	279.427	4.950	70	10	CJIE	
CC[C@@H]1CCC[C@H](Nc2ccc(C)c(N(C)C)c2)CC1	161213128	ZMNWDWRHPDTCNR-CVEARBPZSA-N	274.452	4.832	70	10	CJIE	
CCN[C@@H]1c2ccccc2CCC[C@H]1C[C@@H](C)CC	217626266	YTICUSDCQYTYII-ZVZYQTTQSA-N	259.437	4.726	70	10	CJIE	
C[C@@H](c1ccc(O)cc1)N1CCC[C@@H](C(C)(C)C)CC1	217882926	SNMZGLWJYHQZCZ-GOEBONIOSA-N	275.436	4.601	70	10	CJIE	
CC[C@H]1CCCC[C@H]1O[C@@H](c1sccc1C)[C@@H](N)CC	217896790	ZYSUEHDRSHWYQD-CAOSSQGBSA-N	295.492	4.820	70	10	CJIE	
CCCN[C@H](Cc1cccc(C)c1)[C@@H]1CCC[C@@H](C)C1	218030008	NUCADWXXFGRUNL-BHIYHBOVSA-N	273.464	4.732	70	10	CJIE	
CCCN[C@@H](C1CCCCC1)[C@H]1CCC[C@@H](C)C1	218038009	NUZIGOHNWUZECE-PVAVHDDUSA-N	251.458	4.761	70	10	CJIE	
COc1ccc(C)cc1N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218069641	SULGAKCBKBXZPV-FDQGKXFDSA-N	273.420	4.630	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](C[C@@H]2C[C@@H]3CC[C@@H]2C3)C1	218761158	ZYSRDHRPGOJGAM-NKXHUJMZSA-N	263.469	4.604	70	10	CJIE	
O[C@H](CC1CCCCCC1)[C@H]1C[C@@H]1c1ccccc1	160067327	TWGVVEHTHJPDSU-FGTMMUONSA-N	258.405	4.512	70	10	CJIE	
CCSCC[C@H](C)Nc1nc2cc(C)ccc2s1	160423336	LDYPDRRRQGHWPQ-NSHDSACASA-N	280.462	4.548	70	10	CJIE	
CCCOc1ccccc1N[C@@H]1CCc2ccc(C)cc21	160778626	WVAVLWKYNKOVHN-QGZVFWFLSA-N	281.399	4.883	70	10	CJIE	
CN[C@@H](CC1CCCCC1)c1ccc(Cl)cc1OC	160993024	KFEHXCZXMURMOO-HNNXBMFYSA-N	281.827	4.580	70	10	CJIE	
Cc1cccc(C(C)C)c1NC(=O)Nc1cccc(F)c1	217310605	YMVGJKSJOOEUOB-UHFFFAOYSA-N	286.350	4.902	70	10	CJIE	
C[C@@H]1C[C@@H](O[C@H](C)c2ccc(N)cc2)CC(C)(C)C1	217355929	MENXKLIIIBIWON-XJKCOSOUSA-N	261.409	4.561	70	10	CJIE	
CC[C@@H](N[C@H]1C[C@@H](C)CC[C@@H]1C(C)C)c1ccco1	217525352	HUNZIXNXTMRDIT-JJXSEGSLSA-N	263.425	4.781	70	10	CJIE	
CCCN[C@H](c1cccc(OC)c1)[C@@H]1CCC[C@@H](C)C1	218026991	XBBPVLYTTJYRKQ-RKVPGOIHSA-N	275.436	4.562	70	10	CJIE	
CCN[C@@H]1CC[C@@H](CC)C[C@@H]1Oc1cccc(C(C)C)c1	218766455	NUPVWVCYVCIMRD-LZQZEXGQSA-N	289.463	4.746	70	10	CJIE	
CCC1CCC(CN2CCC[C@@H]([B-](F)(F)F)C2)CC1	2072872397	BCUGCKBXAUXTNQ-JXQTWKCFSA-N	276.175	4.516	70	10	CJIE	
C=C(CCN(C)[C@@H]1CCC[C@@H](C(C)(C)C)C1)[B-](F)(F)F	2229848502	DXUASBYSZLRUBB-ZIAGYGMSSA-N	290.202	4.856	70	10	CJIE	
CCc1oc2ccccc2c1-c1cc(N)c(C)cc1C	159789651	AXFXZNWYSUOWJR-UHFFFAOYSA-N	265.356	4.861	70	10	CJIE	
CCc1ccccc1[C@H](N)Cc1ccc(Cl)cc1Cl	160504368	VZWVZGKVXWFAGQ-MRXNPFEDSA-N	294.225	4.798	70	10	CJIE	
CN[C@H](CC(C)(C)C)c1c(C)ccc2ccccc12	160888538	MFLBHLMASPRJCF-MRXNPFEDSA-N	255.405	4.845	70	10	CJIE	
Cc1ccc(N[C@H]2CCC(C)(C)C[C@H]2C)cc1N(C)C	161235466	KHZIVMRYMGTSAJ-ZBFHGGJFSA-N	274.452	4.688	70	10	CJIE	
CCc1ccsc1[C@@H](N)Cc1ccc(C(C)(C)C)cc1	161255349	OEXJCVYHBAWWJV-INIZCTEOSA-N	287.472	4.851	70	10	CJIE	
CN[C@H](CC1=CCCCC1)c1cc(C)c(C)cc1C	161287770	LVEFITHBZIPVQE-GOSISDBHSA-N	257.421	4.763	70	10	CJIE	
Cc1ccc(OC[C@@H](C)N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1	218124736	ZGRBOJXORGDJEG-ZACQAIPSSA-N	289.463	4.567	70	10	CJIE	
Cc1ccc(C(=O)CO[C@H]2C[C@H](C)CC[C@H]2C(C)C)s1	218399062	WRLVBOYGBWAAPN-INWMFGNUSA-N	294.460	4.717	70	10	CJIE	
CCNC[C@]1(O[C@@H]2CCCC[C@@H]2CC)CCC[C@@H](C)C1	218747053	JRFCEBNMHNIBKV-XDNAFOTISA-N	281.484	4.530	70	10	CJIE	
C=C(CCSCC1CCCCC1)[B-](F)(F)F	1959652294	CAMPZYFYOPFRQH-UHFFFAOYSA-N	251.146	4.633	70	10	CJIE	
Cc1ccc(N[C@H]2CCCC(C)(C)CC2)cc1N(C)C	161162272	BGLOXTZHKUXJDC-HNNXBMFYSA-N	274.452	4.832	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCc1ccc([C@@H]2C[C@@H]2C)o1	217868559	BATSAXYJIMZELD-KSIDHJATSA-N	289.463	4.953	70	10	CJIE	
CCN[C@H](Cc1ccc(C)c(C)c1)[C@@H]1CCC[C@@H](C)C1	217984567	NEAWHAYIJHLHGG-NIKGAXFTSA-N	273.464	4.650	70	10	CJIE	
CCc1ccc(CNCc2ccc(Cl)cc2Cl)cc1	218372291	ZXEZFPCVHQYMQK-UHFFFAOYSA-N	294.225	4.846	70	10	CJIE	
CC1(C)CCC(CN2CC[C@](C)([B-](F)(F)F)C2)CC1	2319747742	FLZDEWNFDKLIPF-AWEZNQCLSA-N	276.175	4.516	70	10	CJIE	
CCSCC[C@@H](C)n1c(C)cc2c1CC(C)(C)CC2=O	160718216	YBLVMNSDLDKGTH-GFCCVEGCSA-N	293.476	4.656	70	10	CJIE	
CN[C@@H](Cc1ccccc1)c1c(C)ccc2ccccc12	160886226	NCOLDZDXAALBDD-IBGZPJMESA-N	275.395	4.651	70	10	CJIE	
CCc1ccc([C@H](C)Nc2ccc(C)c(N(C)C)c2)cc1	161223451	WZKODUJPISGCAX-HNNXBMFYSA-N	282.431	4.797	70	10	CJIE	
CCN[C@H](Cc1ccc(C(C)(C)C)cc1)[C@H](C)C(C)C	161301155	WPJZRFABPYXRCR-CRAIPNDOSA-N	275.480	4.797	70	10	CJIE	
CCCNCc1oc2c(C(C)C)cccc2c1C1CC1	161370913	GQSGFKRSYSUKPO-UHFFFAOYSA-N	271.404	4.933	70	10	CJIE	
CCC[C@@H]1CC[C@H](NC)[C@@H](Cc2ccc(CC)cc2)C1	217700971	WZGCRNULAMTPSH-QRQLOZEOSA-N	273.464	4.596	70	10	CJIE	
Cc1ccc(C)c([C@]2(O)C[C@@H](C)CC[C@H]2C(C)C)c1	217867007	CMWRBDOJXPNPHE-ZVZYQTTQSA-N	260.421	4.583	70	10	CJIE	
O=C(N/C=C/C1CCCC1)Nc1c(Cl)cccc1Cl	218612219	WPUPLZXRQLFABZ-CMDGGOBGSA-N	299.201	4.819	70	10	CJIE	
CCCCCCCCCN1CC[C@@H]([B-](F)(F)F)C1	2303145304	VYSBRHQBSBITHF-CYBMUJFWSA-N	264.164	4.660	70	10	CJIE	
CCC[C@H](CC)COc1cc(C)cc([B-](F)(F)F)c1C	2353345767	VFWIYFXSKVTWDB-ZDUSSCGKSA-N	287.154	4.563	70	10	CJIE	
C[C@@H](CBr)c1cccc(Oc2ccccc2)c1	140958629	RYVZMEGDGUPCSF-LBPRGKRZSA-N	291.188	4.977	70	10	CJIE	
CCNc1cc(Oc2cc(C(C)C)ccc2C)ccn1	159379767	ZCTUQTZGYBTUOX-UHFFFAOYSA-N	270.376	4.738	70	10	CJIE	
CC(C)(C)C1CCC(N)([C@@H]2C[C@@H]2c2ccccc2)CC1	159549183	IPJPEDGJNMCADR-VZDIDWBNSA-N	271.448	4.724	70	10	CJIE	
CCC1CCC(CNCc2ccc(Cl)cc2F)CC1	160782956	KHDNIJZLPGVPEX-UHFFFAOYSA-N	283.818	4.785	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](N[C@H](C)Cc1cccc(Cl)c1)CC2	160786166	MKGDZUHBXVGNFH-KUHUBIRLSA-N	299.845	4.857	70	10	CJIE	
CCN[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1OC(C)(C)CC	216844947	APQAJJWVXSNABY-KURKYZTESA-N	289.463	4.506	70	10	CJIE	
CCC(CC)CN(CC)[C@@H](c1sccc1C)[C@@H](N)CC	217811167	CYLDHFCISQYVCE-JKSUJKDBSA-N	296.524	4.593	70	10	CJIE	
CCCCCN(C)[C@@H](CC)[C@@H](NCCC)c1ccccc1	218631492	QXLCQMWWXNGEID-OALUTQOASA-N	290.495	4.628	70	10	CJIE	
CC[C@@H]1CC[C@@H](CN)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	218693921	HWGMPITVACKKKX-BPQIPLTHSA-N	287.491	4.928	70	10	CJIE	
CC(C)=C(CSC[C@@H]1CC12CCC2)[B-](F)(F)F	1901704273	XJENMHHWFZSXAI-JTQLQIEISA-N	263.157	4.633	70	10	CJIE	
CC(C)(C)C1CCC(CN)([C@@H]2C[C@@H]2c2ccccc2)CC1	159402046	BAAOFOLEFQXGHS-SFANZJOMSA-N	285.475	4.972	70	10	CJIE	
CC(C)Cc1nc(CC(C)(C)C)sc1CNC(C)(C)C	159982449	HTYYABWBQBIFLT-UHFFFAOYSA-N	296.524	4.818	70	10	CJIE	
CCCNCc1oc2cc3c(cc2c1C(C)C)CCCC3	161449889	YGEANCNZMCGNPC-UHFFFAOYSA-N	285.431	4.935	70	10	CJIE	
CCN[C@@H](c1cc(C)ccc1C)[C@@H]1CCC[C@@H](C)C1	218002463	ZDAJTSMERIJZHT-MZMPZRCHSA-N	259.437	4.780	70	10	CJIE	
CCCN[C@H](CCOc1ccccc1)[C@@H]1CCC[C@@H](C)C1	218023160	RDOPZXTUSOGROQ-ZHALLVOQSA-N	289.463	4.650	70	10	CJIE	
C=C(CCN(C)[C@H]1CC(C)(C)CCC1(C)C)[B-](F)(F)F	2274546212	AAJLIEWKBOJDER-ZDUSSCGKSA-N	290.202	4.856	70	10	CJIE	
CCCCC[C@@H](NCCC)c1ccc(F)c(F)c1F	159518958	SSZVHGCJYRSYFJ-CYBMUJFWSA-N	273.342	4.725	70	10	CJIE	
CCCc1cccc([C@@H](O)Cc2cc(C)ccc2C)c1	159830746	OHUFPKXKFBANIY-IBGZPJMESA-N	268.400	4.532	70	10	CJIE	
CCNC[C@@H](Cc1cccc(C(F)(F)F)c1)C1CCCC1	159937822	YQVBYPNYKSMBSQ-OAHLLOKOSA-N	299.380	4.664	70	10	CJIE	
COC1(c2nc(Cl)cc(CC(C)C)n2)CCCCCC1	160514978	GVVXDDLQFJPMHH-UHFFFAOYSA-N	296.842	4.524	70	10	CJIE	
CO[C@@H](C(=O)c1ccc2ccccc2c1)C1CCCCC1	161368469	SBWVDWOULCCORC-LJQANCHMSA-N	282.383	4.618	70	10	CJIE	
CCC[C@H]1CC[C@H](NC)[C@@H](Cc2cc(C)ccc2C)C1	217700424	WTOPLHJFONGABJ-UHOSZYNNSA-N	273.464	4.650	70	10	CJIE	
Cc1ccccc1C[C@H](C)N[C@H]1C[C@@H](C)CC(C)(C)C1	218102140	QSSYOKOFMTWWTI-HFTRVMKXSA-N	273.464	4.730	70	10	CJIE	
C=C(CCOC[C@@H]1C[C@@H]1C1CCCCC1)[B-](F)(F)F	2079949372	UNBBYBQQMAODDN-UONOGXRCSA-N	275.143	4.552	70	10	CJIE	
Cc1cc(OCC[C@@H]2CCC[C@@H](C)C2)ccc1[B-](F)(F)F	2279818619	XWVLDDRBDQCBQS-OCCSQVGLSA-N	299.165	4.645	70	10	CJIE	
CCCNCCC(C)(C)c1c(C)ccc2ccccc12	161116227	YWRGWBMPHNIIMV-UHFFFAOYSA-N	269.432	4.816	70	10	CJIE	
CCCNCC1(C2=CCCCC2)CC2(CCCC2)C1	161450367	UIVJMRIKNOSFRS-UHFFFAOYSA-N	261.453	4.827	70	10	CJIE	
Cc1cc(Br)ccc1-c1cc([C@H](C)N)cs1	217256116	YVPFQXZFALZBEN-VIFPVBQESA-N	296.233	4.506	70	10	CJIE	
CN[C@H]1CC[C@@H](C)C[C@@H]1Cc1ccc(Cl)c(Cl)c1	217631215	BVJSVFCHKUUXDC-HCKVZZMMSA-N	286.246	4.560	70	10	CJIE	
CCc1cccc(C)c1NC(=O)N/C=C/c1ccccc1C	217669021	XBTWGEFOXQEPAV-OUKQBFOZSA-N	294.398	4.658	70	10	CJIE	
Cc1cc(C)c(N[C@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c(C)c1	218090260	SYZKXCFWYPYUCX-ILOCAZANSA-N	269.432	4.848	70	10	CJIE	
CC[C@@H]1CCC[C@H](OCC(=C(C)C)[B-](F)(F)F)C1	2301965917	YEOZLZNXCNZXNJ-NEPJUHHUSA-N	263.132	4.695	70	10	CJIE	
CC(C)NCc1sc([C@H]2CCC[C@H](C)C2)nc1C1CC1	159534779	DMWVJYTUMRRDPS-JSGCOSHPSA-N	292.492	4.812	70	10	CJIE	
CC(C)CC1([C@@H](O)c2ccc(OC3CC3)cc2)CCCC1	159924448	AJTMEDDVSQAXIC-SFHVURJKSA-N	288.431	4.868	70	10	CJIE	
Cc1ccc([C@@H](O)c2ccccc2C2CCC2)cc1Cl	160021736	KIIXXOYDPGTEEP-GOSISDBHSA-N	286.802	4.998	70	10	CJIE	
CCSCC[C@H](C)NC1CC(c2cccc(Cl)c2)C1	160042934	GEYHVXBKNAIMNS-YGONEPDPSA-N	297.895	4.707	70	10	CJIE	
CC(C)[C@@H]1Nc2ccc(Cl)cc2O[C@H]1c1ccccc1	160561180	UJCJLZIZRBCQOX-IRXDYDNUSA-N	287.790	4.910	70	10	CJIE	
CCOc1cc(C)ccc1NCc1coc2ccccc12	161092047	FCZQWEHZAQMOQR-UHFFFAOYSA-N	281.355	4.752	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)s1)c1cc(C)c(C)s1	161133824	VUOAIKWKMHWIAU-OAHLLOKOSA-N	293.501	4.882	70	10	CJIE	
C[C@@H]1CCC[C@H]([C@@H](N)c2ccc3ccccc3c2)C1	217945250	RHKJHBFTEBJJIT-RPVQJOFSSA-N	253.389	4.666	70	10	CJIE	
CC(C)Cc1ccc([C@H](O)CO[C@H]2CCCC[C@@H]2C)cc1	218549335	PYLMNGYSPILEBP-IPELMVKDSA-N	290.447	4.514	70	10	CJIE	
F[B-](F)(F)c1ccc2cc(OC3CCCCC3)ccc2c1	301314143	XTLXFLPAODISEH-UHFFFAOYSA-N	293.117	4.606	70	10	CJIE	
C=C(CCOCc1cc(Cl)cc(Cl)c1)[B-](F)(F)F	2021020093	UBAMWXNXMICNCS-UHFFFAOYSA-N	297.920	4.843	70	10	CJIE	
C=C(CCO[C@@H]1CCC[C@@H]2CCCC[C@H]21)[B-](F)(F)F	2081123979	WQGINLDEDVTZBZ-BFHYXJOUSA-N	275.143	4.695	70	10	CJIE	
CC1(C)CC2(CC(CN3CCC([B-](F)(F)F)CC3)C2)C1	2231066681	XYCVATIVYSSLBT-UHFFFAOYSA-N	288.186	4.516	70	10	CJIE	
CC(C)CCC[C@H](C)CCN1CC[C@@H]([B-](F)(F)F)C1	2319655627	JABJNABNLSXRHF-UONOGXRCSA-N	278.191	4.762	70	10	CJIE	
C=C(CCOCc1ccc(F)cc1C1CC1)[B-](F)(F)F	2339217819	OLFUJEKGAITANA-UHFFFAOYSA-N	287.085	4.553	70	10	CJIE	
CCCCCC1CCC(CI)CC1	59765742	MAOLLNHOHXMAFT-UHFFFAOYSA-N	294.220	4.808	70	10	CJIE	
Cc1ccc([C@@H](O)c2cccc(CC(C)C)c2)cc1Cl	159859001	QPRGRNYFABYFHB-SFHVURJKSA-N	288.818	4.929	70	10	CJIE	
c1ccc2c([C@H]3CCNC[C@@H]3C3CCCC3)csc2c1	160111936	KTHJAYHUCUXYBU-GOEBONIOSA-N	285.456	4.785	70	10	CJIE	
N[C@@H](CC1CCCCC1)c1ccc(C(F)(F)F)cc1	161038339	YPEXSSFTXQBBMS-AWEZNQCLSA-N	271.326	4.676	70	10	CJIE	
CC[C@@H](SCc1cc(C)on1)c1ccc(F)cc1	161308726	LHFIXUNCBCJTQD-CQSZACIVSA-N	265.353	4.507	70	10	CJIE	
CN[C@H]1CC[C@H](C(C)C)C[C@@H]1Cc1c(F)cccc1Cl	217787882	JUQFCRLXOFAFNI-AHIWAGSCSA-N	297.845	4.682	70	10	CJIE	
CC(C)(C)c1ccc([C@@]2(O)C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1	217872312	YCWSABIMTBNOBV-YJTOSLPHSA-N	284.443	4.628	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](O)[C@@H](C/C=C/c2ccccc2)C1	218322159	ULYRTCMRPPTVQH-JWDBNDPNSA-N	258.405	4.523	70	10	CJIE	
O=C(NC=C1CCCCC1)Nc1cccc2ccccc12	218687351	WYSYIWILRDNMIU-UHFFFAOYSA-N	280.371	4.809	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H]([C@@H]2CCOC3(CCCC3)C2)C1	218747077	PRBGXIDXUCDZDL-BRSBDYLESA-N	293.495	4.517	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](CN)[C@@H](c2cccc3ccccc23)C1	218770956	PPSWXYUXTWFOSQ-HLIPFELVSA-N	281.443	4.954	70	10	CJIE	
CCCN(CC(=C(C)C)[B-](F)(F)F)C1CCCCC1	2317864004	PRHZZDHAPXRZPH-UHFFFAOYSA-N	276.175	4.754	70	10	CJIE	
O[C@H](CC1CCCC1)c1ccc(Cl)c2cccnc12	160424468	JDRNQWKIRUSPCW-OAHLLOKOSA-N	275.779	4.502	70	10	CJIE	
CC1(C)CC[C@H](CSc2ccc(O)c3ccccc23)O1	160772113	KBLMROVSLVFJTD-GFCCVEGCSA-N	288.412	4.595	70	10	CJIE	
F[B-](F)(F)C1CCN(CC[C@H]2CCCCC23CC3)CC1	2264940257	LNUCOVHAEUTFIT-CYBMUJFWSA-N	288.186	4.660	70	10	CJIE	
CC(C)=C(COCCCC[C@@H]1C[C@H]1C)[B-](F)(F)F	2301966718	DYGIELJSFHTINK-VXGBXAGGSA-N	263.132	4.552	70	10	CJIE	
Cc1cccc([C@@H](C)N[C@@H]2C[C@@H](C)CC(C)(C)C2)c1	160165830	GOQJSEHINBUEAO-BFYDXBDKSA-N	259.437	4.860	70	10	CJIE	
CCCCOCCCN[C@@H]1CCC[C@H](CCC)CC1	160250754	NUKLOVCDSNTHRE-DLBZAZTESA-N	269.473	4.532	70	10	CJIE	
CN[C@@H](c1ccc(C)cc1)c1c(C)ccc2ccccc12	160888225	WODBZZDWSDMOCG-FQEVSTJZSA-N	275.395	4.765	70	10	CJIE	
Fc1cc(Cl)cc(CNCc2cccc3ccccc23)c1	160928216	QYJHTOOJJSIYHC-UHFFFAOYSA-N	299.776	4.922	70	10	CJIE	
CCc1ccc(C[C@@H](NC)c2ccc(Cl)c(C)c2)s1	161203576	JGQCVSDHBBUEEB-MRXNPFEDSA-N	293.863	4.776	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1ccc(CC)cc1	161341183	JEJZCXGNYJLAQC-GOSISDBHSA-N	257.421	4.790	70	10	CJIE	
CC[C@@H](C)c1ccccc1NC(=O)Nc1ccccc1F	217268625	JGHNITSACAXPDQ-GFCCVEGCSA-N	286.350	4.983	70	10	CJIE	
CC(C)[C@H](N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1	217896618	YFJUWEBVUIDDKM-ATLSCFEFSA-N	259.437	4.798	70	10	CJIE	
CCCCC[C@@H](C)NCCO[C@@H]1C[C@@H](C)CC(C)(C)C1	217912571	QQMCFUAQVRYRMS-BRWVUGGUSA-N	283.500	4.776	70	10	CJIE	
C[C@H]1CCC[C@H]([C@@H](O)c2ccc(Cl)c(Cl)c2)C1	217923732	OFUJQUNMOURMTG-PKFCDNJMSA-N	273.203	4.853	70	10	CJIE	
CN[C@@H](c1ccc(C(F)(F)F)cc1)[C@H]1CCC[C@@H](C)C1	217961692	IEDMHWAKGZODBZ-ZLDLUXBVSA-N	285.353	4.792	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1NCCc1cc(F)cc(F)c1	218191670	ORVOVRABDBDHGK-KKXDTOCCSA-N	295.417	4.558	70	10	CJIE	
CCC[C@@H]1CC[C@@H](O)[C@@H](CCCc2ccccc2)C1	218295745	LXHSCNMYWMXIER-FGTMMUONSA-N	260.421	4.587	70	10	CJIE	
CCCCN([C@@H](C)CC)[C@@H](C)[C@@H](NCC)c1ccccc1	218700602	MLKDIZZMHVQZIB-JENIJYKNSA-N	290.495	4.626	70	10	CJIE	
CCCNC[C@H](O[C@H]1CCC[C@@H](C)C1)c1ccccc1C	218759720	GFPKDODPFOBPRX-AYBZRNKSSA-N	289.463	4.631	70	10	CJIE	
CC(C)CCCOc1ccc2ccccc2c1[B-](F)(F)F	312180613	MWWWHUMXCQTGPQ-UHFFFAOYSA-N	295.133	4.709	70	10	CJIE	
CC[C@@H](c1ccccc1)[C@H](O)c1cc2cccc(F)c2o1	159493703	CSZUFRAFTVUQFX-YOEHRIQHSA-N	284.330	4.799	70	10	CJIE	
COc1cc(N[C@@H]2CCC[C@@H](C(C)C)CC2)ccc1F	159971371	YPPVJJTVQAKEJD-ZIAGYGMSSA-N	279.399	4.851	70	10	CJIE	
Cc1cc(C)c([C@H]2CNc3cccc(Cl)c3O2)c(C)c1	160546067	BGJCKTFNAYQHCI-OAHLLOKOSA-N	287.790	4.811	70	10	CJIE	
CCCN[C@H](c1c(C)ccc2ccccc12)[C@@H]1C[C@@H]1C	160932126	IJGZTNBRZKTCQG-YJLNNSPDSA-N	267.416	4.845	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)Cc1ccc(C(F)(F)F)cc1	161242202	IOURXVZCOUNTMP-INIZCTEOSA-N	297.364	4.726	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1ccc(F)cc1F	161357621	UWAWXIRNTDNTFY-MRXNPFEDSA-N	265.347	4.506	70	10	CJIE	
Cc1ccc(/C=C/NC(=O)Nc2ccccc2C(C)C)cc1	218097405	AOAUVPLLADZRAD-OUKQBFOZSA-N	294.398	4.911	70	10	CJIE	
CNCC1(O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)CCCCCC1	218748802	XCSBNDXNHLJGKP-KURKYZTESA-N	295.511	4.776	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](Cc2cccc(Cl)c2)C1	218757725	CISWHEJAGYWJRC-VNQPRFMTSA-N	279.855	4.674	70	10	CJIE	
CCCN[C@H]1CC[C@H](CCC)C[C@@H]1Oc1cccc(C)c1	218773269	HCZMNSCJCZCFOI-WDSOQIARSA-N	289.463	4.711	70	10	CJIE	
CC[C@H](C)[C@@H](C)Oc1ccc2ccccc2c1[B-](F)(F)F	319646322	QYJBSKGPOWETRA-NWDGAFQWSA-N	295.133	4.708	70	10	CJIE	
Fc1c([C@H]2C[C@H]2[B-](F)(F)F)cccc1C(F)(F)F	2009403627	DVKPGXYOWVFRIL-HTRCEHHLSA-N	270.964	4.549	70	10	CJIE	
C=C(CCO[C@@H]1CCC[C@@H]2CCCC[C@@H]21)[B-](F)(F)F	2081123981	WQGINLDEDVTZBZ-MELADBBJSA-N	275.143	4.695	70	10	CJIE	
F[B-](F)(F)C1CCN(Cc2ccc3sccc3c2)CC1	2231062308	GHHYYZVBDUBMSN-UHFFFAOYSA-N	298.162	4.715	70	10	CJIE	
O[C@@H](CCC1CCCC1)c1cc2cccc(F)c2o1	159515399	ZIWRGRMIAGEHBV-AWEZNQCLSA-N	262.324	4.576	70	10	CJIE	
CCCNC[C@@H]1CC[C@H](C)C[C@@H]1[C@@H]1C[C@@H]1c1ccccc1	159672914	ZBFXZARLIVVMBA-XCZFOBESSA-N	285.475	4.842	70	10	CJIE	
CC(C)[C@@H](Nc1cccc(N(C)C)c1)c1ccccc1	161126154	URQIJDBTRZRFSZ-GOSISDBHSA-N	268.404	4.562	70	10	CJIE	
CO[C@@H](C(=O)c1ccc(C2CCC2)cc1)C1CCCCC1	161376570	UOHJCQFBTRJYNY-LJQANCHMSA-N	286.415	4.732	70	10	CJIE	
Cl[Si](Cl)(Cl)C1c2ccccc2-c2ccccc21	196635782	KWCWIWBEFXQVSV-UHFFFAOYSA-N	299.660	4.993	70	10	CJIE	
CCCCCN(C(C)C)[C@@H](c1ccc(C)s1)[C@@H](N)CC	217826579	JOEJXHYMVIOIPB-DOTOQJQBSA-N	296.524	4.736	70	10	CJIE	
COc1ccc(Cl)cc1[C@@]1(O)C[C@@H](C)CC[C@@H]1C(C)C	217867666	CHNLTBQNQWSNBM-DXCKQFNASA-N	296.838	4.628	70	10	CJIE	
Fc1ccc([C@@H]2C[C@@H]2[B-](F)(F)F)cc1C(F)(F)F	2009403662	FHHCWKLMDSNCRB-XPUUQOCRSA-N	270.964	4.549	70	10	CJIE	
C=C(CCN(C)[C@H](C)C1(C)CCCCC1)[B-](F)(F)F	2044984012	IIDCXPHUUMKSII-CYBMUJFWSA-N	276.175	4.610	70	10	CJIE	
F[B-](F)(F)C1CCN(CCCC2=CCCCC2)CC1	2318500807	WDTGFRNGFJXOST-UHFFFAOYSA-N	274.159	4.580	70	10	CJIE	
CC(C)=C(CN(C)[C@H]1C[C@H](C)CC(C)(C)C1)[B-](F)(F)F	2340140776	QOUKAOXNFRDNDT-STQMWFEESA-N	290.202	4.856	70	10	CJIE	
CC1(C)CC2(CC(CN3CC[C@@](C)([B-](F)(F)F)C3)C2)C1	2342525442	ZKCBFTHOVUCZBX-CQSZACIVSA-N	288.186	4.516	70	10	CJIE	
CCc1ccc(Oc2ccnc(NC)c2)c(C(C)(C)C)c1	159367336	VCEVHHXYKGGBEY-UHFFFAOYSA-N	284.403	4.776	70	10	CJIE	
CC(C)(C)c1ccc([C@H]2CCNC[C@H]2C2CCCC2)cc1	160118385	ZRFKAQINLFEUHP-MOPGFXCFSA-N	285.475	4.867	70	10	CJIE	
CC(C)[C@H]1CC[C@H](N)[C@@H](Cc2cccc(C(F)(F)F)c2)C1	217778498	ACMRQWVMAZKZEE-DZKIICNBSA-N	299.380	4.648	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1N[C@@H](C)[C@@H]1C[C@H]2C=C[C@H]1C2	218158118	PDAHOAAWOBCCGD-SLMGBJJTSA-N	275.480	4.638	70	10	CJIE	
CCCCCC[C@H](C)O[C@@H](c1ccc(F)cc1)[C@@H](N)CC	218258056	VZYOQLYZGDNFIQ-WBAXXEDZSA-N	295.442	4.980	70	10	CJIE	
Cc1c(Cl)cccc1NC(=O)NC=C1CCCCC1	218665040	MSXFBOOYOVFKSH-UHFFFAOYSA-N	278.783	4.618	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@@H]1c1cc(Br)ccc1Cl	1885275689	WWBRQTXCYYMZIJ-SVRRBLITSA-N	298.318	4.807	70	10	CJIE	
CCCCCCCCOCc1cccc([B-](F)(F)F)c1	2136005190	ZIXFDPCBCMXERE-UHFFFAOYSA-N	287.154	4.618	70	10	CJIE	
CC(C)=C(COC[C@H]1C[C@H]1C1CCCC1)[B-](F)(F)F	2317850779	CLTFUYJWJFLELF-OLZOCXBDSA-N	275.143	4.552	70	10	CJIE	
CC(C)=C(CN1CCC[C@H](C(C)(C)C)CC1)[B-](F)(F)F	2340335064	SWOFZAOQVNOTDJ-ZDUSSCGKSA-N	290.202	4.858	70	10	CJIE	
CCCc1ccc([C@H](NC)c2cccc(C)c2Cl)cc1	160290850	RXEIFGUZTSAOOO-SFHVURJKSA-N	287.834	4.910	70	10	CJIE	
O[C@@H](CC1CCCC1)c1ccc(Cl)c2cccnc12	160424592	JDRNQWKIRUSPCW-HNNXBMFYSA-N	275.779	4.502	70	10	CJIE	
Cc1cc(C)c(C[C@]2(O)C[C@H](C)CC[C@H]2C(C)C)c(C)c1	217867083	AFQKTGLENYKXLP-VOBQZIQPSA-N	288.475	4.978	70	10	CJIE	
CCCN[C@H]1CCCc2nc([C@H]3CCC[C@@H](C)C3)sc21	218077148	ZUXRWXAGEZGHOO-RDBSUJKOSA-N	292.492	4.814	70	10	CJIE	
C[C@@H]1C[C@H](N[C@H](C)CCc2ccc(O)cc2)CC(C)(C)C1	218149845	HSISWIGSPSWJAW-INMHGKMJSA-N	289.463	4.518	70	10	CJIE	
CC[C@@H]1CCC[C@H]([C@@H](NC)c2cccc(Cl)c2F)C1	218731415	LDIMPYUZKLYQRM-BFQNTYOBSA-N	283.818	4.956	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](c2ccccc2OC(C)C)C1	218748152	YTYOTRGNFQCZNR-RYRKJORJSA-N	289.463	4.733	70	10	CJIE	
CCN[C@@H](CSCc1ccccc1C)C1CCCCC1	159374817	OAUVNAZRPFCXCB-SFHVURJKSA-N	291.504	4.787	70	10	CJIE	
CCCCC[C@H](NCC)[C@]1(OCC)CCC[C@H](C)C1	159896034	UAGDIAPCXJROGB-ULQDDVLXSA-N	269.473	4.530	70	10	CJIE	
Cc1cc(Cl)cc([C@@H](O)c2cccc(C3CCC3)c2)c1	160192531	ANFDTNDYURKDEV-SFHVURJKSA-N	286.802	4.998	70	10	CJIE	
Cc1ccc([C@@H](N)Cc2ccc(F)cc2Cl)cc1Cl	160562284	GILHGVBOPCNLQU-HNNXBMFYSA-N	298.188	4.683	70	10	CJIE	
CN[C@H](CC1=CCCCC1)C[C@@H]1CCCc2ccccc21	161265681	CRTRRCOOZFMZDU-RBUKOAKNSA-N	283.459	4.975	70	10	CJIE	
CCCc1ccc(C(=O)[C@H](OCC)C2CCCCC2)cc1	161461581	DBRLAASMWMKHKV-LJQANCHMSA-N	288.431	4.807	70	10	CJIE	
N[C@H]1CC[C@@H](c2ccccc2)C[C@@H]1Cc1cccc(Cl)c1	217766919	JPDMLNLAUZGGIL-AOIWGVFYSA-N	299.845	4.794	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](Cc2c(C)cc(C)cc2C)C1	218743772	RDEJBNLAZQSZJI-GUDVDZBRSA-N	287.491	4.946	70	10	CJIE	
CCC1([C@H](O)c2cccc(C3CCC3)c2)CCCC1	160166841	WWEYNECFJASRIE-QGZVFWFLSA-N	258.405	4.958	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)c1ccc(C(C)C)cc1	161244930	LZTWUJAMQVWJTL-SFHVURJKSA-N	257.421	4.961	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1ccc(C)cc1C	161332612	HVLANVXERSWMHB-SFHVURJKSA-N	257.421	4.845	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1cccc(OCC)c1	161353832	RVPJMLYGROTJAW-GOSISDBHSA-N	273.420	4.626	70	10	CJIE	
CCc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2CC)cc1	217850244	KNNMBTGCMPDFCC-YXJHDRRASA-N	259.437	4.868	70	10	CJIE	
Fc1cc(Cl)ccc1N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217932497	YGPBBPQGSCFNBW-GJXHKJHSSA-N	279.786	4.716	70	10	CJIE	
CCN[C@@H](Cc1cc(C)cc(C)c1)[C@H]1CCC[C@@H](C)C1	217981840	LPMQFHGHMNUDDQ-CCKFTAQKSA-N	273.464	4.650	70	10	CJIE	
C[C@H]1CCCC[C@@H]1CN[C@H](c1cccs1)C1CC1	218150215	AAMHEBGAASBSRA-BJJXKVORSA-N	263.450	4.615	70	10	CJIE	
CC(C)NC[C@@H]1CCCCC[C@@H]1[C@@H]1C[C@@H]1c1ccccc1	159670616	GDLZHKJFPFMCKQ-HAGHYFMRSA-N	285.475	4.985	70	10	CJIE	
CCSCC[C@H](C)N[C@H](C)c1ccc(OC(C)C)cc1	160032860	JACCINMQELCTEP-LSDHHAIUSA-N	295.492	4.656	70	10	CJIE	
CCOc1ccc(NCc2ccc(Cl)cc2F)c(C)c1	160779709	DUARQSVLYGEZGK-UHFFFAOYSA-N	293.769	4.798	70	10	CJIE	
CCOc1ccc(N[C@@H]2CCc3ccc(C)cc32)c(C)c1	160811432	MITCRVUFTLWFRL-LJQANCHMSA-N	281.399	4.802	70	10	CJIE	
COC1(C(=O)c2ccc(C(C)C)cc2)CCC(C)CC1	160965884	WHCNRVCZMSITJE-UHFFFAOYSA-N	274.404	4.588	70	10	CJIE	
C[C@H](NCCCC1CC1)c1cccc(C(F)(F)F)c1	161444436	VCITYKIUGYBRGI-NSHDSACASA-N	271.326	4.546	70	10	CJIE	
N[C@@]1(c2cccc(Cl)c2Cl)C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217895231	GIIGUNSTOBXKBO-GACTXADBSA-N	296.241	4.604	70	10	CJIE	
Cc1ccc(C(=O)CO[C@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1	218400665	HWXATLQHHOUJRH-IEZWGBDMSA-N	288.431	4.655	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](c2cccc(OC(C)C)c2)C1	218757197	UAYUVIALOKITGU-HHXXYDBFSA-N	289.463	4.733	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1O[C@@H]1CCC2(CCCC2)C1	2155213321	XQFKJDSXYDMQHZ-CQSZACIVSA-N	297.149	4.541	70	10	CJIE	
CC(C)=C(CN1CCC(C)(C)CC(C)(C)C1)[B-](F)(F)F	2340332712	YXELOZLRBJLMRJ-UHFFFAOYSA-N	290.202	4.858	70	10	CJIE	
CCCC[C@@H](CC)[C@H](O)c1cc2cccc(F)c2o1	159491489	GNBWEQQCFITAOR-ABAIWWIYSA-N	264.340	4.822	70	10	CJIE	
CCCCC[C@@H](NCC)c1cccc(OC(C)C)c1	159600705	VMNMPSRKVNYUSC-QGZVFWFLSA-N	263.425	4.705	70	10	CJIE	
CCCNC[C@@H](Cc1c(C)cccc1C)C1CCCC1	159947689	SOSBARMBJYJRDX-GOSISDBHSA-N	273.464	4.652	70	10	CJIE	
CC(C)Cc1ccc([C@@H]2CCNC[C@H]2C2CCCC2)cc1	160108953	OGKVMCFLQASAAF-PMACEKPBSA-N	285.475	4.768	70	10	CJIE	
COC(=O)c1oc(C2CCCCCCC2)nc1C(C)(C)C	160284510	PDBPEYBBPBENAF-UHFFFAOYSA-N	293.407	4.587	70	10	CJIE	
CCCCOCCCNc1ccnc2cc(Cl)ccc12	160368661	GRMBOQJQCNAKGI-UHFFFAOYSA-N	292.810	4.507	70	10	CJIE	
CN[C@@H](CCC1CCCC1)Cc1ccc(F)cc1Cl	160578802	CJHSDHNYVXVVHN-HNNXBMFYSA-N	283.818	4.580	70	10	CJIE	
Cc1ccc(Nc2nc3c(C)cccc3s2)cc1N(C)C	161380688	JBHMRNJDYMWRSY-UHFFFAOYSA-N	297.427	4.723	70	10	CJIE	
CCC[C@@H]1CC[C@H](O)[C@@H](Cc2ccc(C(C)C)cc2)C1	218293107	VRCRMHGNVOXECD-LZQZEXGQSA-N	274.448	4.930	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](N)[C@@H](c2ccc3ccccc3c2)C1	218515852	JFESYQYBABOZGX-ATZDWAIDSA-N	267.416	4.707	70	10	CJIE	
C=C(CCOc1cccc2ccsc12)[B-](F)(F)F	1999703456	AVKJDRBARVCRQX-UHFFFAOYSA-N	271.092	4.613	70	10	CJIE	
CC[C@@H]1CCCC[C@@H]1OCC(=C(C)C)[B-](F)(F)F	2301964635	MCPPSFFBCGFQPM-YPMHNXCESA-N	263.132	4.695	70	10	CJIE	
CCCCN(CCC)C(=O)Nc1c(F)cccc1Cl	217313162	XZJHIOXMYDBGRZ-UHFFFAOYSA-N	286.778	4.523	70	10	CJIE	
CCCN[C@H](Cc1ccccc1F)[C@@H]1CCC[C@@H](C)C1	218029375	QKSWKRXXPFRJKH-QGPMSJSTSA-N	277.427	4.563	70	10	CJIE	
C[C@H]1CCCC[C@H]1CN[C@H](c1ccccc1)c1ccco1	218162494	VQYBEOYRIJLWOH-VDZJLULYSA-N	283.415	4.785	70	10	CJIE	
CC[C@H](N)[C@@H](O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(C)(C)C	218253135	PDUMPGCDMYTUGB-DMRKSPOLSA-N	283.500	4.616	70	10	CJIE	
CCC[C@H]1CC[C@@H](O)[C@@H](Cc2ccc(C(C)C)cc2)C1	218293053	VRCRMHGNVOXECD-KFKAGJAMSA-N	274.448	4.930	70	10	CJIE	
CC(C)/C=C/NC(=O)Nc1ccc(Nc2ccccc2)cc1	218518238	IPKHUBNPXDKTJO-OUKQBFOZSA-N	295.386	4.721	70	10	CJIE	
CCNC[C@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccccc1	218754355	XUDWRYXKPRIEMF-NXHRZFHOSA-N	289.463	4.569	70	10	CJIE	
CCCCCCCCCCCC[C@H](C)S(=O)(=O)F	1952268910	PPJPHVYAHQFQOI-AWEZNQCLSA-N	280.449	4.985	70	10	CJIE	
CCC1CCC(COc2cc(C)ccc2[B-](F)(F)F)CC1	2193127765	FXWWREHCATYXSV-UHFFFAOYSA-N	299.165	4.645	70	10	CJIE	
C=C(CCOCc1ccccc1C(F)(F)F)[B-](F)(F)F	2227754491	OWQHMFMTQYPLRT-UHFFFAOYSA-N	297.027	4.555	70	10	CJIE	
Cc1cc(OCC[C@@H]2CCC[C@H](C)C2)ccc1[B-](F)(F)F	2279818618	XWVLDDRBDQCBQS-JSGCOSHPSA-N	299.165	4.645	70	10	CJIE	
CC(C)=C(COC[C@H]1CC[C@H]1C(C)(C)C)[B-](F)(F)F	2320145988	FRNUCPIQLLMYND-VXGBXAGGSA-N	277.159	4.798	70	10	CJIE	
CCCN[C@H](C1=CCCCC1)C1C2CC3CC(C2)CC1C3	160144326	RMLAZTRPLZIUAX-DQBYHPFJSA-N	287.491	4.927	70	10	CJIE	
Cc1cccc([C@@H](N)c2ccc(C(C)(C)C)cc2)c1Cl	160279666	FNYMVQIWKRMUGG-KRWDZBQOSA-N	287.834	4.994	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)[C@H]1C[C@@H]2CC[C@@H]1C2	160817728	NUHAMQKFVQMSSJ-UNEWFSDZSA-N	264.368	4.767	70	10	CJIE	
CCN[C@@H](Cc1ccc(CC)s1)c1ccc(C)c(C)c1	161195210	GBCDWSMSIRYCCW-SFHVURJKSA-N	287.472	4.821	70	10	CJIE	
CCC[C@H]1CC[C@H](NCC)[C@@H](Cc2cccc(F)c2F)C1	217714334	VMTFNTTUFXIZNC-LXZKKBNFSA-N	295.417	4.702	70	10	CJIE	
CC(C)CC[C@@H](C)NCCO[C@H]1C[C@@H](C)CC[C@@H]1C(C)C	217889125	PGUYIOFKLJMJDA-MANSERQUSA-N	297.527	4.878	70	10	CJIE	
Cc1cc(C)c(CN[C@@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c(C)c1	218007569	RJPNMJXQNIUSEM-KWXDATOUSA-N	283.459	4.526	70	10	CJIE	
Cc1nn(C(C)C)c(C)c1N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218113319	QHJJRIHPSHOJTK-HDMKZQKVSA-N	289.467	4.708	70	10	CJIE	
CC[C@H](N)[C@H](O[C@@H]1CCC[C@@H](C)C1)c1cccc(Cl)c1	218273769	PKQQMLBLEPXMME-VDNDLQMASA-N	295.854	4.714	70	10	CJIE	
Cc1c(C(C)C)[nH]c2ccc(Br)c(F)c12	218702169	GSBSDEQWUMHIEN-UHFFFAOYSA-N	270.145	4.501	70	10	CJIE	
FC(F)c1ccccc1C12CC([B-](F)(F)F)(C1)C2	1887484483	IROQSGZVWJQFKA-UHFFFAOYSA-N	261.022	4.647	70	10	CJIE	
Cc1cc(OCC2(C)CCCCC2)c(C)c([B-](F)(F)F)c1	2143825109	ZBKISKAECFESTN-UHFFFAOYSA-N	299.165	4.707	70	10	CJIE	
CCSCC[C@@H](C)Nc1nc2c(C)cccc2s1	160424773	NNXADBDGSKGKGB-LLVKDONJSA-N	280.462	4.548	70	10	CJIE	
CC(C)[C@@H]1Nc2ccc(Cl)cc2O[C@@H]1c1ccccc1	160561427	UJCJLZIZRBCQOX-DLBZAZTESA-N	287.790	4.910	70	10	CJIE	
CCN[C@@H](Cc1ccc(C(C)(C)C)cc1)[C@@H](C)C1CC1	161261935	YVOOPVHQWGNAMR-KSSFIOAISA-N	273.464	4.551	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)c1ccccc1F	161417745	PUYXRCFLJKXXSL-QGZVFWFLSA-N	261.384	4.757	70	10	CJIE	
F[B-](F)(F)[C@H]1CCCN(Cc2cccc3ccccc23)C1	2190458462	JGQMSTLTZIWXGO-HNNXBMFYSA-N	292.133	4.653	70	10	CJIE	
F[C@@H](CBr)c1cccc(Oc2ccccc2)c1	144236338	GDGBTYMUTRPSGU-AWEZNQCLSA-N	295.151	4.884	70	10	CJIE	
Cc1cc([C@@H](O)c2cccc(CC(C)C)c2)sc1C	159845869	XGZAMIHGIHGGCY-KRWDZBQOSA-N	274.429	4.645	70	10	CJIE	
CC(C)NC[C@H](Cc1c(F)cccc1Cl)C1CCCC1	159969114	XHXWOPSRBKDZTH-AWEZNQCLSA-N	297.845	4.826	70	10	CJIE	
Cc1ccc([C@H](O)c2c(C)ccc3ccccc23)c(C)c1	161004851	YAWQXVTYYMMKIC-FQEVSTJZSA-N	276.379	4.847	70	10	CJIE	
CN(C)c1cccc(N[C@@H]2CCCCc3ccccc32)c1	161121013	JRXABGUVUIRRIC-LJQANCHMSA-N	280.415	4.632	70	10	CJIE	
CCN[C@H](Cc1ccc(C(C)(C)C)cc1)C1C[C@H]2C[C@@H]2C1	161257387	MOCZIIHMKIDJLZ-GPMSIDNRSA-N	285.475	4.551	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)Cc1c(F)cccc1Cl	161268595	OCZUSXYHZXUWLU-ZDUSSCGKSA-N	281.802	4.500	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)[C@@H]1CCOC2(CCCC2)C1	161325721	ZTEKDZIMJWEBHW-QZTJIDSGSA-N	291.479	4.594	70	10	CJIE	
CC[C@@H]1CCC[C@H](Oc2cc(C)cc([B-](F)(F)F)c2C)C1	686553086	DNKHPUNVBDMZMU-KGLIPLIRSA-N	299.165	4.705	70	10	CJIE	
CC(C)=C(CSc1nc2ccccc2o1)[B-](F)(F)F	2317990293	OHIQTUDPUNLFMU-UHFFFAOYSA-N	286.107	4.643	70	10	CJIE	
CC[C@H](c1ccccc1)[C@H](O)c1cc2cccc(F)c2o1	159493856	CSZUFRAFTVUQFX-PBHICJAKSA-N	284.330	4.799	70	10	CJIE	
CC(C)[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1F	160874199	ZVLWBNAEJVLBNW-GDBMZVCRSA-N	283.818	4.784	70	10	CJIE	
CCN[C@@H](CC1CCCCC1)c1cccc(F)c1F	161013326	WYRZXJRNLTVOTN-HNNXBMFYSA-N	267.363	4.586	70	10	CJIE	
CC(C)Cc1ccc(CNc2cccc(N(C)C)c2)cc1	161128859	MPRPFEYGFQEWKD-UHFFFAOYSA-N	282.431	4.563	70	10	CJIE	
CCN[C@@H](Cc1ccc(CC)s1)c1ccccc1CC	161189154	KRGQKXIVKJHFGY-SFHVURJKSA-N	287.472	4.766	70	10	CJIE	
CCCCN([C@@H](C)[C@@H](O)c1ccc(CC)cc1)[C@H](C)CC	218532759	YNOXMBGTGBVAAL-JTDSTZFVSA-N	291.479	4.572	70	10	CJIE	
CCCCN(CC(=C(C)C)[B-](F)(F)F)C1CCCC1	2317993828	CHGHOSYUWWUVCF-UHFFFAOYSA-N	276.175	4.754	70	10	CJIE	
CC(C)=C(CN1C[C@H](C2CCC2)CC[C@H]1C)[B-](F)(F)F	2340329836	YSBZHLMZTLFACF-TZMCWYRMSA-N	288.186	4.610	70	10	CJIE	
CCSCC[C@@H](C)N[C@H]1CCCCc2ccccc21	159986712	NEDUGFCGSZGGLW-PBHICJAKSA-N	277.477	4.575	70	10	CJIE	
CCCN[C@H](C1=CCCCO1)c1ccccc1C(C)(C)C	160444064	VAYZKWVPOWBZRG-SFHVURJKSA-N	287.447	4.719	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](O)c1ccc(F)c(F)c1	160965282	FWSQLINJGKIQGZ-GOSISDBHSA-N	284.305	4.508	70	10	CJIE	
CN(C)c1cccc(N[C@H]2CCCC[C@H]2C(C)(C)C)c1	161110005	HMZVKFQPIPMLTC-SJORKVTESA-N	274.452	4.769	70	10	CJIE	
CN(C)c1cccc(N[C@H]2CCCC[C@@H]2C(C)(C)C)c1	161110117	HMZVKFQPIPMLTC-IRXDYDNUSA-N	274.452	4.769	70	10	CJIE	
Cc1ccc(N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1N(C)C	161222723	QURQJMXYOPMGBW-CJNGLKHVSA-N	274.452	4.688	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)c1ccc(OC)cc1C	161442773	OKXPMCKPIRBENB-LJQANCHMSA-N	287.447	4.935	70	10	CJIE	
FC(F)(F)c1cc(N[C@@H]2C[C@@H]3CC=C[C@H]32)ccc1Cl	217984803	UINRMBVFBDRIAB-IYYTYJHQSA-N	287.712	4.735	70	10	CJIE	
CCCN[C@@H]1CC[C@@H](CCC)C[C@@H]1N(CC(C)C)C(C)C	218696415	CIOQXVNWFJUEGK-QRVBRYPASA-N	296.543	4.690	70	10	CJIE	
CCCC1CCC(CN2CCC[C@H]([B-](F)(F)F)C2)CC1	1878472023	WXLGJHGYGXOTGU-NRXISQOPSA-N	290.202	4.906	70	10	CJIE	
CC(C)C(CCN1CC[C@H]2C[C@@]2([B-](F)(F)F)C1)C(C)C	1879771848	NAPRUTFOUQOLQB-DZGCQCFKSA-N	290.202	4.618	70	10	CJIE	
CC(C)=C(COC[C@H]1CCC[C@H](C)C1)[B-](F)(F)F	2301965695	WEDVIZZIYIOFNK-RYUDHWBXSA-N	263.132	4.552	70	10	CJIE	
CC(C)=C(CN(C)C1C[C@H]2CCC[C@H](C1)C2)[B-](F)(F)F	2340151873	HQVFCLARHYZMAZ-STQMWFEESA-N	288.186	4.610	70	10	CJIE	
CCCN[C@@H](C[C@H](C)CC(C)(C)C)C1=CCCCO1	160387862	ASNACRWARZJTAP-GJZGRUSLSA-N	267.457	4.511	70	10	CJIE	
CCO[C@@H](c1nc(C)c(CC)c(Cl)n1)C1CCCCC1	160390009	YBUWWJBIRDVMBF-CQSZACIVSA-N	296.842	4.659	70	10	CJIE	
CCCN[C@H](Cc1ccc(F)cc1Cl)[C@@H](C)C(C)C	160544308	ICBXZTKMICNSKQ-BLLLJJGKSA-N	285.834	4.682	70	10	CJIE	
CC(C)[C@H](NCc1ccc(Cl)cc1F)c1ccccc1	160704877	ALLNTOZUUBAGDA-KRWDZBQOSA-N	291.797	4.966	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](O)c1cc(F)cc(F)c1	161005088	ILCVOIUMWQHLBI-GOSISDBHSA-N	284.305	4.508	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)[C@H]1C[C@@H]1c1ccccc1	161329548	GHJNKOZUWCCJRY-CEXWTWQISA-N	269.432	4.659	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NC)[C@@H](Cc2ccc(CC)cc2)C1	217700809	WZGCRNULAMTPSH-BHIYHBOVSA-N	273.464	4.596	70	10	CJIE	
CCCN[C@@H](c1cc(C)ccc1OC)[C@@H]1CCC[C@@H](C)C1	218025838	MELMNVHDOUHDGA-IDHHARJASA-N	289.463	4.871	70	10	CJIE	
C[C@@H](N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1	218072197	SBAUBHJLBAGASB-NOVWEMISSA-N	263.469	4.760	70	10	CJIE	
CCOc1ccc(N[C@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c(C)c1	218110714	HZGUVYUNUFDBMR-ORAACGOFSA-N	285.431	4.630	70	10	CJIE	
CCCCN([C@H](C)CC)[C@@H]1CCCCC[C@@H]1NCCC	218698943	ZKFATKWCTVVJGN-FGTMMUONSA-N	282.516	4.588	70	10	CJIE	
CC(C)=C(COCCCCCC(C)C)[B-](F)(F)F	2301868926	IDNOFXTVBHZVPH-UHFFFAOYSA-N	265.148	4.942	70	10	CJIE	
CC(C)(C)NC[C@@H]1CCC[C@@H]1[C@@H]1C[C@@H]1c1ccccc1	159663309	WDYUMQATIYJCKB-FJIDUMEYSA-N	271.448	4.595	70	10	CJIE	
Cc1cccc([C@@H](O)c2ccc3c(c2)CCCC3)c1Cl	160413015	YCIVYDYIEPJVPZ-SFHVURJKSA-N	286.802	4.609	70	10	CJIE	
CCc1ccc(C[C@H](NC)c2ccc(Cl)c(C)c2)s1	161203489	JGQCVSDHBBUEEB-INIZCTEOSA-N	293.863	4.776	70	10	CJIE	
CCC(CC)NC(=O)Nc1ccccc1[C@@H](C)CC	217305015	KQBMBMUUAUYITN-LBPRGKRZSA-N	262.397	4.510	70	10	CJIE	
Cc1nc2ccc(N[C@@H]3C[C@H]4C[C@@H]3[C@@H]3CCC[C@@H]43)cc2s1	218058986	WBHBZWARSGIXCM-IYXSBWJKSA-N	298.455	4.841	70	10	CJIE	
CCCCC[C@H](NCC)c1ccccc1C(F)(F)F	159530018	AFTWMZMGDCEADW-AWEZNQCLSA-N	273.342	4.936	70	10	CJIE	
CCNCc1sc([C@H]2CC[C@H](CC)C2)nc1CC(C)C	159787123	AHWYVRBRYZYLHG-KBPBESRZSA-N	294.508	4.745	70	10	CJIE	
CCCc1cccc([C@@H](O)c2cc(F)c(Cl)cc2F)c1	159829705	JULSYBQCTNNQPG-MRXNPFEDSA-N	296.744	4.652	70	10	CJIE	
Cc1ccc([C@@H](C)NCc2cc(F)cc(Cl)c2)c(C)c1	160896740	CPNPYYVNDKLJLU-CYBMUJFWSA-N	291.797	4.947	70	10	CJIE	
CCCC[C@](CC)(CNC(C)C)C[C@@H]1CCC(C)(C)O1	160905710	TUSURJRATIAAFW-WMZOPIPTSA-N	283.500	4.919	70	10	CJIE	
O=C(CC1=CCCCC1)[C@@H]1CCOC2(CCCCC2)C1	161008582	DRMBDWLUEIWVKO-MRXNPFEDSA-N	276.420	4.576	70	10	CJIE	
CC[C@@H]1CC[C@H](NC)[C@@H](Cc2cccc3ccccc23)C1	217655560	YAWJNZBHBQNUBE-ZTNFWEORSA-N	281.443	4.797	70	10	CJIE	
CCC(CC)CN(CC)[C@@H](c1ccc(C)cc1)[C@@H](N)CC	217812012	YWYINHVARHRGMS-OALUTQOASA-N	290.495	4.532	70	10	CJIE	
FC(F)(F)Sc1ccccc1N[C@@H]1C[C@H]2CC=C[C@H]21	218047722	XIPJSJZVTSVMND-CKYFFXLPSA-N	285.334	4.675	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@]1(CO)Nc1cccc(Cl)c1	218115607	APXXTIXLIFLDSF-XYPHTWIQSA-N	295.854	4.575	70	10	CJIE	
F[B-](F)(F)C1CCN(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2231065176	CLVFGWVQJHJYKI-WDNDVIMCSA-N	288.186	4.516	70	10	CJIE	
C[C@@H]1CCC[C@@H](CCN2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)C1	2334032342	XJKHDAOHEIPZDB-BARDWOONSA-N	288.186	4.516	70	10	CJIE	
CCCC(CCC)[C@H](O)c1cc2cc(F)ccc2o1	159411897	MTTZTQJCTDVFAN-INIZCTEOSA-N	264.340	4.822	70	10	CJIE	
CC(C)(C)CC[C@H](O)c1ccc(Cl)c2cccnc12	160420491	ATCCZKPQPRSYFI-AWEZNQCLSA-N	277.795	4.748	70	10	CJIE	
CC(C)Cc1cccc([C@@H](O)CC2=CCCCC2)c1	161054327	VMKFAIAKPKTGJF-SFHVURJKSA-N	258.405	4.809	70	10	CJIE	
N[C@@H](c1ccc2c(c1)CCC2)c1cc2ccc(F)cc2s1	161133826	HYRBTQAGXMSPTM-SFHVURJKSA-N	297.398	4.577	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](N)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	217781611	SYEHRINJYQMXNY-ZIFCJYIRSA-N	287.491	4.926	70	10	CJIE	
CCN[C@@H](Cc1ccc(F)cc1Cl)[C@H]1CCC[C@@H](C)C1	217986543	JBJRYRVXKODTLZ-IFIJOSMWSA-N	297.845	4.826	70	10	CJIE	
C[C@H](CN1CC[C@@](C)([B-](F)(F)F)C1)C1CCCCC1	2319713205	SUBRPDBBIKIDQB-TZMCWYRMSA-N	276.175	4.516	70	10	CJIE	
O[C@@]1(c2cc(Cl)ccc2Cl)C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217873032	HFWWLMZSUWMAGK-YMXDLSOXSA-N	297.225	4.637	70	10	CJIE	
CCN[C@@H](Cc1ccc(Cl)s1)[C@@H]1CCC[C@@H](C)C1	217987040	LAVPKYXQYULGOC-BZPMIXESSA-N	285.884	4.748	70	10	CJIE	
CCCCCC[C@H](C)O[C@@H](c1ccc(C)o1)[C@@H](N)CC	218258610	CCTFAWRARSZFBD-JLJPHGGASA-N	281.440	4.742	70	10	CJIE	
CCC[C@H]1CC[C@H](CN2CCC[C@@H]([B-](F)(F)F)C2)CC1	1878472024	WXLGJHGYGXOTGU-RBSFLKMASA-N	290.202	4.906	70	10	CJIE	
FC(F)(F)C1CCC2(CCNC[C@@H]2C2CCCC2)CC1	160120633	RONDIAQYQJXKQG-SHARSMKWSA-N	289.385	4.525	70	10	CJIE	
Cc1cccc([C@@H](C)N[C@@H]2CCC(C)(C)C[C@@H]2C)c1	160170086	VZNOIUQCVLTGIM-ZMSDIMECSA-N	259.437	4.860	70	10	CJIE	
CCN[C@H](Cc1ccc(Cl)cc1Cl)C1[C@H]2CCC[C@H]12	160501259	CKIFSYWWJJFACH-KCQAQPDRSA-N	298.257	4.560	70	10	CJIE	
COC1(C(=O)CCCc2ccccc2)CCC(C)(C)CC1	161265614	TUUYXIPEGCKWEE-UHFFFAOYSA-N	288.431	4.564	70	10	CJIE	
CC(C)NCc1oc2cc3c(cc2c1C(C)C)CCC3	161306185	JVIXEIZTOWSVPQ-UHFFFAOYSA-N	271.404	4.543	70	10	CJIE	
CC[C@@H](C)c1ccc(OCc2cccc(F)c2)cc1	217399495	ZJHJZKRYSFMXKU-CYBMUJFWSA-N	258.336	4.918	70	10	CJIE	
CCCCN([C@H](C)CC)[C@H](c1cccc(C)c1)[C@@H](N)CC	217830581	FDSCAFIPSBKOHF-NZSAHSFTSA-N	290.495	4.674	70	10	CJIE	
CO[C@@H]1CCCC[C@H]1N[C@H](c1cccs1)C1CCCC1	218260927	FURHSULYBRKTAY-INMHGKMJSA-N	293.476	4.527	70	10	CJIE	
CCCC[C@H](CC)CO[C@H](c1ccc(C)o1)[C@@H](N)CC	218268112	HDQHCMISHQZLDZ-ZOBUZTSGSA-N	281.440	4.599	70	10	CJIE	
C[C@@H]1CC[C@@H](CN)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	218625323	HYVCZMCWCUSUEX-HYVNUMGLSA-N	273.464	4.538	70	10	CJIE	
F[B-](F)(F)/C=C\c1ccccc1SC(F)(F)F	309639371	BCYHVJCQPKIEBU-WAYWQWQTSA-N	271.014	4.698	70	10	CJIE	
CCC(CC)(CNC(C)(C)C)[C@H]1C[C@H]1c1ccccc1	159426528	TZZXVTUEXTVDCV-IRXDYDNUSA-N	273.464	4.985	70	10	CJIE	
CCNCc1sc(C2CCCCCC2)nc1C1CC1	159456561	AITRJADSSCUCGP-UHFFFAOYSA-N	278.465	4.568	70	10	CJIE	
c1ccc2cc([C@H]3CCNC[C@@H]3C3CCCC3)ccc2c1	160109383	DDWRWEGIWMQWDH-WOJBJXKFSA-N	279.427	4.723	70	10	CJIE	
Cc1nc2cc(NCc3cc(F)cc(Cl)c3)ccc2o1	160821042	KEUHYORMXVDIGM-UHFFFAOYSA-N	290.725	4.541	70	10	CJIE	
O[C@H](CC1=CCCCC1)c1ccc(C2CCC2)cc1	161053943	RNWOWCJJIIRCHV-GOSISDBHSA-N	256.389	4.878	70	10	CJIE	
C[Si](Cl)(Cl)CCc1cccc(CCl)c1	203944484	ADDRYSQETRAFNQ-UHFFFAOYSA-N	267.659	4.518	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@H](N)[C@@H](CCCc2ccccc2)C1	217744636	IBZILFVJCDEMCH-BZSNNMDCSA-N	273.464	4.799	70	10	CJIE	
CCCN[C@@H](c1ccccc1C)[C@H]1CCC[C@@H](C)C1	218032887	DHLVWACBLFAQQX-UWWQBHOKSA-N	259.437	4.862	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1NCc1cc2ccccc2o1	218481228	ZYBUXSGGSREHQB-QGTPRVQTSA-N	285.431	4.983	70	10	CJIE	
CCCCCCCOCC(=C(C)C)[B-](F)(F)F	1901641717	GAYAREXSCITMAH-UHFFFAOYSA-N	251.121	4.696	70	10	CJIE	
Cc1ccc(C)c(C[C@H](O)c2cccc(CC(C)C)c2)c1	159863251	JPHDCXHVQFXLGR-FQEVSTJZSA-N	282.427	4.778	70	10	CJIE	
Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(C)c(F)c1)CC2	160834502	UTBYTBMMMLAPIH-IFXJQAMLSA-N	283.390	4.781	70	10	CJIE	
CCCNCc1oc2cc(C)c(C)cc2c1CC(C)C	161241540	GEFRQHNMKMZCQK-UHFFFAOYSA-N	273.420	4.748	70	10	CJIE	
COC1(C(=O)c2ccc(C(C)C)cc2)CCC(C)(C)CC1	161293140	QNSFJNGDCGKXMR-UHFFFAOYSA-N	288.431	4.978	70	10	CJIE	
CCCCN(CCC)C(=O)N/C=C/c1cccc(Cl)c1	218026858	MAYAWFPARBVPQE-MDZDMXLPSA-N	294.826	4.532	70	10	CJIE	
FC(F)(F)Sc1ccc(N[C@H]2C[C@@H]3CC=C[C@H]32)cc1	218184957	VNXJAMZIMWSPKC-BIMULSAOSA-N	285.334	4.675	70	10	CJIE	
CC(C)Oc1ccc([C@H]2C[C@@H](C(C)C)CC[C@@H]2CN)cc1	218773695	GQVZCNFQNGPETI-YQVWRLOYSA-N	289.463	4.588	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OCCC[C@H]1CC1(C)C	2197468147	XJGQJFMISXXREU-ZDUSSCGKSA-N	299.165	4.509	70	10	CJIE	
CC(C)=C(CO[C@@H]1CCC[C@H](C)[C@H]1C)[B-](F)(F)F	2301867849	VYLHSNPGCNIZLU-DMDPSCGWSA-N	263.132	4.551	70	10	CJIE	
CCC[C@H]1CC[C@H](CN2CC[C@](C)([B-](F)(F)F)C2)CC1	2342562849	CFYAEYZDVIEGGR-KKUMJFAQSA-N	290.202	4.906	70	10	CJIE	
CCCCC[C@H](CC12CC3CC(CC(C3)C1)C2)NC	159593130	RASYYUVHOSDAMR-AWDGRILASA-N	263.469	4.761	70	10	CJIE	
CC(C)Cc1cccc([C@H](O)c2cc3c(s2)CCC3)c1	159834185	MMTLJRBRZQMBFL-SFHVURJKSA-N	286.440	4.517	70	10	CJIE	
O[C@H](CCC1CCCCC1)[C@@H]1C[C@@H]1c1ccccc1	160046087	RLKJCXAROAGBAA-KZNAEPCWSA-N	258.405	4.512	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](Nc1ccc3ncccc3c1)CC2	160823449	MDHMZDKOMHEVPS-IBGZPJMESA-N	274.367	4.643	70	10	CJIE	
CCN[C@H](Cc1ccc(Cl)s1)c1ccc(C)cc1C	160941300	XDZVOWCQBOVCOT-OAHLLOKOSA-N	293.863	4.912	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](O)[C@@H]1Cc2ccccc21	160979862	NZCLSOHQRRSLBM-UYAOXDASSA-N	274.363	4.522	70	10	CJIE	
CCCc1ccc([C@H](C)Nc2cccc(N(C)C)c2)cc1	161060049	UOPLPOIHYYCNSJ-HNNXBMFYSA-N	282.431	4.878	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)c1ccccc1OC(F)(F)F	161261014	IMCYDHJLJBVASV-AWEZNQCLSA-N	299.336	4.736	70	10	CJIE	
Cc1ccc(CN[C@@H](C)c2cc(Cl)cc(Cl)c2)cn1	161319484	MUIFADTYSFCRBG-NSHDSACASA-N	295.213	4.548	70	10	CJIE	
CCOC1(C(=O)c2ccc(C)cc2C)CCCCCC1	161340881	NKIKEJUZMQMGGX-UHFFFAOYSA-N	274.404	4.616	70	10	CJIE	
CCCNCc1oc2c(OCC)cccc2c1CC(C)C	161341483	JCCOMRFTOYQJCR-UHFFFAOYSA-N	289.419	4.530	70	10	CJIE	
C[C@H]1CC([C@@H](NN)c2ccccc2C(C)(C)C)C[C@H](C)C1	217317298	JSSIBWYWWBUAQG-HBUWYVDXSA-N	288.479	4.561	70	10	CJIE	
CC[C@@H](C)c1ccccc1NC(=O)NCC1CCCC1	217576939	PRVNTTPCKCYIOG-CYBMUJFWSA-N	274.408	4.512	70	10	CJIE	
CN[C@]1(c2nc(C(C)C)cs2)C[C@@H](C)CC[C@@H]1C(C)C	217859229	MESQQPLTJQEOIB-JJRVBVJISA-N	294.508	4.773	70	10	CJIE	
CCc1ccc([C@@H](C)N[C@@H]2CCC[C@@H](C)C2)s1	218105572	IRLWGXSKHWXCMP-JHJVBQTASA-N	251.439	4.540	70	10	CJIE	
CC[C@@H](N)[C@@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccsc1	218264208	AEZHGPQEMQCJJO-MIGQKNRLSA-N	295.492	4.758	70	10	CJIE	
CCCCCCCCCCCOC[B-](F)(F)F	2212473489	MSZUFFSETWOWAM-UHFFFAOYSA-N	253.137	4.920	70	10	CJIE	
F[B-](F)(F)c1ccccc1COCCCCCCC1CC1	2234156775	SZPIZOVXHLMZKW-UHFFFAOYSA-N	299.165	4.618	70	10	CJIE	
CCCC[C@H](CC)[C@H](O)c1cc2cc(F)ccc2o1	159400887	CSPOZDDIJYMLIB-ZBEGNZNMSA-N	264.340	4.822	70	10	CJIE	
CSc1ccc([C@@H](O)c2cccc(C3CCC3)c2)cc1	160163492	DQNCJHQAPSPUQZ-GOSISDBHSA-N	284.424	4.758	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)s1)c1ccc(CC)s1	161179876	RYMBHDVHGJJRFS-OAHLLOKOSA-N	293.501	4.828	70	10	CJIE	
CC(C)(C)c1ccc(C[C@@H](N)c2cc3c(s2)CCC3)cc1	161252783	OJQWTSUTODXRPW-MRXNPFEDSA-N	299.483	4.777	70	10	CJIE	
CCC(C)(C)[C@@H](Cc1ccc(C(C)(C)C)cc1)NC	161254198	NHCKOZJVWLQZGQ-MRXNPFEDSA-N	261.453	4.551	70	10	CJIE	
CCCN[C@H](CCC[C@@H]1CCCO1)CC1=CCCCC1	161418963	ZKAWQXLRZUFZDD-QZTJIDSGSA-N	279.468	4.594	70	10	CJIE	
COCc1cccc(N[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1	217983909	URXOVBXZQAGDGW-QGTPRVQTSA-N	275.436	4.706	70	10	CJIE	
C[C@H]1CC[C@H](CN)[C@@H](Cc2cc(Cl)ccc2Cl)C1	218629842	PTCGLPBDGYTXMF-QJPTWQEYSA-N	286.246	4.547	70	10	CJIE	
C=C(CCOCc1cccc2ccccc12)[B-](F)(F)F	2140386148	KMQUCWPLXXYGBH-UHFFFAOYSA-N	279.090	4.689	70	10	CJIE	
F[B-](F)(F)[C@H]1CCCN(CCCCCCC2CC2)C1	2218725440	JUXFJLPUNYYVLZ-AWEZNQCLSA-N	276.175	4.660	70	10	CJIE	
CC(C)=C(CO[C@@H]1CC[C@@H](C)C[C@@H]1C)[B-](F)(F)F	2301965211	QTHOOAWHDVBZOS-NTZNESFSSA-N	263.132	4.551	70	10	CJIE	
C[C@@H](CCNCc1cc(Cl)ccc1F)c1ccccc1	160819163	IBNFWMWCTLIUQR-ZDUSSCGKSA-N	291.797	4.763	70	10	CJIE	
CCCN[C@@H](c1c(C)ccc2ccccc12)[C@@H]1C[C@@H]1C	160932005	IJGZTNBRZKTCQG-POZUXBRTSA-N	267.416	4.845	70	10	CJIE	
O=C(Cc1cccs1)c1cc2ccc(F)cc2s1	160965793	CXXWDWOBVNCXCL-UHFFFAOYSA-N	276.357	4.527	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)Cc1ccc(C)cc1	161410422	ZJGUMHGJMMWLRQ-IBGZPJMESA-N	271.448	4.796	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1Cc1cccc(Cl)c1	217759423	FTKBKDCOJXGGFF-YQQAZPJKSA-N	293.882	4.933	70	10	CJIE	
C[C@@H](CCN[C@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1	218074766	SGEFHXLOUPFBNQ-CVYDXHPNSA-N	259.437	4.595	70	10	CJIE	
CCc1cccc(C)c1N[C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218091574	XNSTYBWSKILMOK-CWQOZTLDSA-N	269.432	4.794	70	10	CJIE	
CCC[C@@H]1CC[C@H](NCC)[C@@H](Cc2cc(F)ccc2C)C1	218290368	VZIUIAWVKNVYJA-SUMDDJOVSA-N	291.454	4.871	70	10	CJIE	
CCCCCC[C@@H](C)O[C@H](CC)[C@@H](O)c1ccccc1	218551800	RIOLCAONFIOZJW-NXHRZFHOSA-N	278.436	4.874	70	10	CJIE	
Cc1ccc(C(C)C)cc1O[C@@H]1C[C@H](C(C)C)CC[C@H]1O	218561385	DCSQBYRVENACKB-ZHALLVOQSA-N	290.447	4.683	70	10	CJIE	
Fc1c([C@@H]2C[C@H]2[B-](F)(F)F)cccc1C(F)(F)F	1908066201	DVKPGXYOWVFRIL-POYBYMJQSA-N	270.964	4.549	70	10	CJIE	
CC1(C)CCC[C@@H](CN2CCC[C@@H]([B-](F)(F)F)C2)C1	2082978404	GVWXGVLULOSXIU-CHWSQXEVSA-N	276.175	4.516	70	10	CJIE	
CCC(CC)(CNC(C)C)[C@@H]1C[C@@H]1c1ccccc1	159425045	ASSVIGLKDFKQJS-IAGOWNOFSA-N	259.437	4.595	70	10	CJIE	
CC(C)NC[C@H](C1CCCC1)[C@@H]1C[C@@H]1c1ccccc1	159492619	VQJLQDZHYMQGKU-GUDVDZBRSA-N	271.448	4.595	70	10	CJIE	
CCNCc1oc2c(Cl)ccc(C)c2c1C(C)(C)C	161418499	FVSJXQYLYJJSAA-UHFFFAOYSA-N	279.811	4.802	70	10	CJIE	
CCCC[C@@H](CC)COc1ccc([B-](F)(F)F)c(C)c1	216030117	VSYWJUOSIDQXRT-CYBMUJFWSA-N	287.154	4.645	70	10	CJIE	
CCCCN([C@@H](C)CC)[C@H](c1ccccc1F)[C@@H](N)CC	217828991	BBWVOSUQKQAUSD-JCGIZDLHSA-N	294.458	4.505	70	10	CJIE	
CC(C)c1ccccc1NC(=O)N/C=C/c1cccc(F)c1	217967235	KNWNJWNAEQOZPF-ZHACJKMWSA-N	298.361	4.742	70	10	CJIE	
COc1ccc(N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c(C)c1	218198757	VTSCBPISBJWHQU-MZMPZRCHSA-N	273.420	4.630	70	10	CJIE	
CC[C@@H]1CCCC[C@H]1O[C@H](c1ccccc1Cl)[C@@H](C)N	218245271	UFRFBIKRWHRUJL-KFZJALRRSA-N	295.854	4.714	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@H](N)[C@@H](c2ccccc2C(F)(F)F)C1	218533740	LGLBNVWTHWNABY-KYOSRNDESA-N	299.380	4.963	70	10	CJIE	
C=C(CCOc1ccccc1C(C)C)[B-](F)(F)F	1999702803	SBAABLRZRPXODO-UHFFFAOYSA-N	257.084	4.522	70	10	CJIE	
COCCCCCCSCC(=C(C)C)[B-](F)(F)F	2301954631	BKYBXJWEGWBOHM-UHFFFAOYSA-N	283.188	4.649	70	10	CJIE	
C[C@H](NCc1cc(Cl)ccc1F)c1cccc(Cl)c1	160660770	JAMIFFWDQKGRNV-JTQLQIEISA-N	298.188	4.983	70	10	CJIE	
Cc1ccc2ccccc2c1-c1cccc([C@@H](C)N)c1	160956815	JKYWTTZQNXZIKY-CQSZACIVSA-N	261.368	4.835	70	10	CJIE	
CC(C)(C)NCC1(C2=CCCCC2)CC2(CCC2)C1	161462129	BUXSMBDCGQMBRT-UHFFFAOYSA-N	261.453	4.825	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1Cc1ccc(Cl)cc1	217759243	LEIBYXQNELZNSG-ZMSDIMECSA-N	293.882	4.933	70	10	CJIE	
COc1ccc([C@H](N[C@@H]2CCC[C@@H](C)[C@@H]2C)C2CC2)cc1	217891160	IDZMTPDBRIOYCR-GTYSZEQSSA-N	287.447	4.561	70	10	CJIE	
CC(C)(C)c1ccc([C@@]2(N)C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1	217894633	XVUHYOWLZIMQEE-YJTOSLPHSA-N	283.459	4.594	70	10	CJIE	
F[B-](F)(F)/C=C/c1cc(Br)c(Cl)s1	1880797831	UPQFPVGPIVWNNA-OWOJBTEDSA-N	290.320	4.564	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1OC[C@H]1CCC=CCCC1	2163721578	QVNOCXBOAPSXAK-AWEZNQCLSA-N	297.149	4.565	70	10	CJIE	
CC(C)=C(COCC[C@H]1CC[C@@H]1C1CC1)[B-](F)(F)F	2319624304	XQKLGQZQTJDRIQ-CHWSQXEVSA-N	275.143	4.552	70	10	CJIE	
C[C@H](CN1CC[C@](C)([B-](F)(F)F)C1)C1CCCCC1	2319713204	SUBRPDBBIKIDQB-OCCSQVGLSA-N	276.175	4.516	70	10	CJIE	
CC(C)(C)C1CCC(N2CC[C@](C)([B-](F)(F)F)C2)CC1	2342547057	PJJUFPPEMTWFAG-PIMMBPRGSA-N	290.202	4.905	70	10	CJIE	
CC(C)(C)[C@@H]1CCCC[C@]1(O)c1cccc2[nH]ccc12	159433373	LQVRMEZLWWPTRJ-WMZOPIPTSA-N	271.404	4.592	70	10	CJIE	
CC(C)c1nc(Cl)c(C2CCCC2)c(Cl)n1	159471483	IALPMCXUXXMJAG-UHFFFAOYSA-N	259.180	4.564	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](N)Cc1ccccc1F	160848714	KXCMCAGKTJMHKN-SFHVURJKSA-N	279.358	4.530	70	10	CJIE	
Cc1ccc(C[C@H](O)c2c(C)ccc3ccccc23)cc1	161005612	JHGZBJSELUHLHD-IBGZPJMESA-N	276.379	4.733	70	10	CJIE	
CCC[C@@H]1CC[C@H](N)[C@@H](Cc2c(F)cccc2Cl)C1	217684940	OXZKUGLRLMJGAW-HSMVNMDESA-N	283.818	4.565	70	10	CJIE	
CCCN[C@H](c1cc(F)cc(F)c1)[C@H]1CCC[C@@H](C)C1	218009760	HCHKFZZYNBXHRU-IGCXYCKISA-N	281.390	4.832	70	10	CJIE	
CCc1ccccc1N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218073112	DXDIEHKUGKVFDT-YXJHDRRASA-N	257.421	4.876	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl	1885275872	YDVGYWOVRKDGCO-RNFRBKRXSA-N	253.867	4.698	70	10	CJIE	
CC(C)=C(CN(C)C[C@@H]1CC[C@H]1C(C)(C)C)[B-](F)(F)F	2343226053	GMBMQTZJZQSTQS-QWHCGFSZSA-N	290.202	4.714	70	10	CJIE	
CCCN[C@@H](C1=CCCCO1)c1ccccc1C(C)(C)C	160444174	VAYZKWVPOWBZRG-GOSISDBHSA-N	287.447	4.719	70	10	CJIE	
CC(C)c1ccccc1NC(=O)N/C=C/c1ccccc1	217615388	QWJPUXIPVHCVEQ-OUKQBFOZSA-N	280.371	4.602	70	10	CJIE	
CCN[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1C[C@@H](C)CC	217768889	DOFKISYUHIMFEA-WZGPROSRSA-N	273.464	4.985	70	10	CJIE	
Cc1cc(C)cc([C@]2(N)C[C@H](C)CC[C@H]2C(C)C)c1	217884536	NWUMGFDEVXWQNM-JEBQAFNWSA-N	259.437	4.550	70	10	CJIE	
CCCN[C@@H](c1ccccc1OC)[C@@H]1CCC[C@@H](C)C1	218032058	BIMNDGONRJZOHO-IIDMSEBBSA-N	275.436	4.562	70	10	CJIE	
CC(C)COc1ccc([C@@H](C)N[C@@H]2CCC[C@@H]2C)cc1	218209077	GKDNQVLODRFCQL-HDMKZQKVSA-N	275.436	4.561	70	10	CJIE	
CC[C@H]1CCC[C@@H]([C@@H](N)c2cccc(Cl)c2F)C1	218730104	LOYDWABPFYWWCY-FIXISWKDSA-N	269.791	4.695	70	10	CJIE	
CCOc1ccc(NCc2ccc([C@@H]3C[C@@H]3C)o2)cc1F	159495638	IUWCUNXHNGVDDA-SMDDNHRTSA-N	289.350	4.553	70	10	CJIE	
C[C@@H]1Nc2ccc(Cl)cc2O[C@H]1c1cccc(Cl)c1	160565885	MPIAYXAHPVOXHM-BJOHPYRUSA-N	294.181	4.928	70	10	CJIE	
CCOC(CC)(CC)C(=O)C[C@H]1CCCc2ccccc21	160663311	FNCVFZAYTLIWGC-MRXNPFEDSA-N	288.431	4.661	70	10	CJIE	
CCN[C@@H](Cc1ccc(Cl)s1)c1cc(C)ccc1F	160864128	PPDVZMSLSKOKCN-AWEZNQCLSA-N	297.826	4.742	70	10	CJIE	
CC(C)[C@@H]1CCCC[C@H]1NCc1ccc(Cl)cc1F	160874083	ZVLWBNAEJVLBNW-GOEBONIOSA-N	283.818	4.784	70	10	CJIE	
CN[C@H](c1ccc2c(c1)C(C)(C)CCC2(C)C)[C@H]1C[C@@H]1C	161487881	LTRRRVKBLZUDEU-DHSIGJKJSA-N	285.475	4.952	70	10	CJIE	
CCCCN(CCC)C(=O)Nc1ccc(-n2cccc2)cc1	217303323	QAUBODZFUKIIIZ-UHFFFAOYSA-N	299.418	4.521	70	10	CJIE	
CC(C)(C)c1ccccc1NC(=O)Nc1cccc(F)c1	217310662	PUCZBENKWWCQJK-UHFFFAOYSA-N	286.350	4.767	70	10	CJIE	
CC[C@H]1CC[C@@H](NC)[C@@H](Cc2c(C)cc(C)cc2C)C1	217647904	ALTFTXWVXKHNNV-YQVWRLOYSA-N	273.464	4.569	70	10	CJIE	
CC[C@@H](S[C@@H]1CCC[C@@H](C)C1)C(=O)c1ccccc1	217877339	OLEKYDHFGXNNRB-FVQBIDKESA-N	276.445	4.960	70	10	CJIE	
O=C(NC=C1CCCCC1)Nc1ccccc1C(F)(F)F	218664841	FNVPYLUQYAYAQA-UHFFFAOYSA-N	298.308	4.675	70	10	CJIE	
CC(C)=C(CN1C[C@@]2(C)C[C@H]1CC(C)(C)C2)[B-](F)(F)F	2340140861	RZBROMBJJVGVBM-DOMZBBRYSA-N	288.186	4.610	70	10	CJIE	
CCSCC[C@H](C)NC1c2ccccc2-c2ccccc21	160047365	NBJQQXJMZUXTTP-AWEZNQCLSA-N	297.467	4.878	70	10	CJIE	
O[C@H](c1cc2ccccc2s1)[C@H]1C[C@@H]1c1ccccc1	160047445	KUDQWGISASUVKV-VKJFTORMSA-N	280.392	4.738	70	10	CJIE	
O[C@@H](CCC1CCCC1)c1cccc(C2CCC2)c1	160210791	PPIAWJDNLRXXII-SFHVURJKSA-N	258.405	4.958	70	10	CJIE	
Cc1cccc(C[C@H](N)c2c(C)ccc3ccccc23)c1	160865887	AWVSKLFUDJQYMC-IBGZPJMESA-N	275.395	4.699	70	10	CJIE	
CCCc1c(CNC2CC2)oc2c(Cl)ccc(C)c12	161416629	HKOQUKVASKJJCY-UHFFFAOYSA-N	277.795	4.599	70	10	CJIE	
Fc1ccc(CNCCCC2CC2)cc1-c1cccs1	161456379	XDFJUDKJPBXBDZ-UHFFFAOYSA-N	289.419	4.834	70	10	CJIE	
C/C(=C\C[Si](Cl)(Cl)Cl)c1ccccc1	195827643	SZZCRAADVGPXOE-VQHVLOKHSA-N	265.643	4.745	70	10	CJIE	
Cc1cccc([C@]2(N)C[C@H](C)CC[C@H]2C(C)C)c1C	217883696	OVUUKEVORFWAIW-SKDZVZGDSA-N	259.437	4.550	70	10	CJIE	
CC[C@H](N[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccccc1	218179957	FSRXXNLZOCHMRG-OIISXLGYSA-N	259.437	4.942	70	10	CJIE	
F[B-](F)(F)/C=C/c1ccc(Cl)cc1Br	306821084	NZUFVXAZVXJPPT-ONEGZZNKSA-N	284.291	4.502	70	10	CJIE	
CCC1CCC(CN2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)CC1	1879766507	FRHKDTOPBZGMTH-NEXFUWMNSA-N	288.186	4.516	70	10	CJIE	
CC(C)=C(CN1c2ccccc2CC[C@@H]1C)[B-](F)(F)F	2340334499	OFVMZYUMEBEKAY-LBPRGKRZSA-N	282.138	4.551	70	10	CJIE	
CCCCC[C@H](NCCC)[C@@H]1[C@H]2CCc3ccccc3[C@@H]21	159686233	NBRDNKILMGKHKV-MUGJNUQGSA-N	285.475	4.911	70	10	CJIE	
Cc1cscc1[C@H](N)c1c(C)ccc2ccccc12	160846022	HGRASQKJXLVEQY-KRWDZBQOSA-N	267.397	4.566	70	10	CJIE	
N[C@H](CC1=CCCCC1)c1ccccc1C(F)(F)F	161181534	MMKYCMUYCHCPOJ-CQSZACIVSA-N	269.310	4.596	70	10	CJIE	
CC(C)C1CCC(N[C@@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)CC1	217576214	KLCBOCPAZCAPIZ-YCEZONNTSA-N	275.480	4.616	70	10	CJIE	
CCC[C@@H]1CCC(=O)[C@@H](C/C=C\c2ccccc2)C1	217620098	HYPSQGFEXQZIEE-XRMLWCHGSA-N	256.389	4.875	70	10	CJIE	
CC(C)CC[C@@H](C)NCCS[C@@H]1CCC[C@@H](C)C1	217922727	FEKSUBFTUXRLGR-BZUAXINKSA-N	271.514	4.713	70	10	CJIE	
CC[C@H](N)[C@@H](Oc1ccccc1[C@H](C)CC)C(C)(C)C	218241569	MFNMRQQBPBOFAC-UKPHBRMFSA-N	277.452	4.731	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@@H](N)[C@@H](c2cc(F)ccc2Cl)C1	218518261	NFKCVXZKDPJDCP-WDBKCZKBSA-N	283.818	4.736	70	10	CJIE	
C[C@H](O[C@H](c1ccc(Cl)cc1)[C@H](C)N)c1ccccc1	218585926	JISVQRURLQYWDU-DCGLDWPTSA-N	289.806	4.506	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](CN)[C@@H](Cc2ccccc2Cl)C1	218776060	LSMIITNSWDBGFG-FVQBIDKESA-N	279.855	4.530	70	10	CJIE	
CCCCCCCCN1CCC([B-](F)(F)F)CC1	2216960431	QHSAFXQQTAUOMA-UHFFFAOYSA-N	264.164	4.660	70	10	CJIE	
C=CCCCCCCCOc1ccc([B-](F)(F)F)cc1	2227289707	WKGPZJSBVHEZQK-UHFFFAOYSA-N	285.138	4.646	70	10	CJIE	
O[C@H](Cc1ccc(F)c(F)c1)c1ccccc1C1CCC1	159996202	CJXUKZHAFDXMNC-GOSISDBHSA-N	288.337	4.508	70	10	CJIE	
Cc1cc(F)c(C(=O)C2C3CC4CC(C3)CC2C4)cc1F	160116848	XODCTDZMJBFHQY-UHFFFAOYSA-N	290.353	4.528	70	10	CJIE	
CCCCOCCCN[C@@H]1CCCC[C@@H]1c1ccccc1	160249238	WQCIGSLRDBTJQT-RTBURBONSA-N	289.463	4.509	70	10	CJIE	
CCCN[C@@H](c1c(C)ccc2ccccc12)C1CC1	160935782	XEPJKEVDQUELAK-GOSISDBHSA-N	253.389	4.599	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)Cc1cc(C)ccc1C	161364563	KXAYOPGQQLAROZ-IBGZPJMESA-N	271.448	4.715	70	10	CJIE	
C[C@H](O)c1ccc(N2CCC[C@@H]3CCCC[C@H]32)c(Cl)c1	217516821	MUQMTJKBYLRGHZ-HEHGZKQESA-N	293.838	4.552	70	10	CJIE	
CC[C@@H]1NC[C@H](C)[C@@H](c2ccccc2)c2ccccc21	217946938	KIAYURMOVFHJOZ-JVPBZIDWSA-N	265.400	4.509	70	10	CJIE	
CCCOc1ccccc1N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218057039	JXIKMBITGKPOFX-ZNFSNMQZSA-N	285.431	4.712	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@@H](O)[C@@H](Cc2c(F)cccc2Cl)C1	218304030	HVOXDFYBKUTWCY-BFQNTYOBSA-N	298.829	4.845	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](Cc2cc(C)ccc2C)C1	218759415	COURNTYTASGDOF-ZHALLVOQSA-N	273.464	4.637	70	10	CJIE	
C=C(CCSc1ccc(C)c(C)c1)[B-](F)(F)F	1978061770	YZYWNBXTXMSNIE-UHFFFAOYSA-N	259.125	4.728	70	10	CJIE	
CC(=CCN1CC[C@@H]([B-](F)(F)F)C1)CCCC(C)C	2319701720	ASKHXXAFHLXFJB-CQSZACIVSA-N	276.175	4.682	70	10	CJIE	
CNc1cc(Oc2ccc(C)cc2C(C)(C)C)ccn1	159369160	VNGMIEYTBUTVHF-UHFFFAOYSA-N	270.376	4.522	70	10	CJIE	
CC(C)Cc1cccc([C@H](O)C2C(C)(C)C2(C)C)c1	159848639	HARJKXCKBFLKCM-HNNXBMFYSA-N	260.421	4.601	70	10	CJIE	
Cc1cc([C@H](O)C2C3CC4CC(C3)CC2C4)cc(C)c1F	160220159	BTBXYEYVAVVHEE-JGUZVMMMSA-N	288.406	4.548	70	10	CJIE	
Cc1ccc2c(C(=O)c3cccc(C)c3Cl)c[nH]c2c1	160267937	PEZRVDHADUQNEM-UHFFFAOYSA-N	283.758	4.669	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)c1cc(F)ccc1OC	161383169	UKYHIKLMGMLZJI-KRWDZBQOSA-N	291.410	4.766	70	10	CJIE	
CCCNCc1oc2c(Cl)ccc(C)c2c1C1CC1	161416481	FMGBHCFFULLRDO-UHFFFAOYSA-N	277.795	4.772	70	10	CJIE	
CCCN[C@H](c1cc(C)ccc1C)[C@H]1CCCCS1	161436627	WFDCNEZPLFXUNK-IAGOWNOFSA-N	277.477	4.630	70	10	CJIE	
Cc1ccc(F)c2oc(CNCC(C)C)c(C(C)C)c12	161491417	DSXVMVYXNDWGJK-UHFFFAOYSA-N	277.383	4.749	70	10	CJIE	
CCCN[C@H](C)c1cc(F)ccc1N1CCC[C@@H](C)CC1	216822786	LABWZJHSJFCAEN-HUUCEWRRSA-N	292.442	4.513	70	10	CJIE	
CC[C@@H]1CCCC[C@H]1N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	217517939	YPJKDHGKALCLJJ-ORDFZIBCSA-N	263.469	4.760	70	10	CJIE	
CCN[C@@H]1CC[C@H](CC)C[C@@H]1Cc1ccc(C)c(C)c1	217667248	JTWRBLPIFBBNNU-QXAKKESOSA-N	273.464	4.650	70	10	CJIE	
CC[C@@H](C)[C@@H](c1ccccc1)[C@@H](O)c1ccc(C)cc1	218123233	ZQOQFYOEGWKQAT-MNEFBYGVSA-N	268.400	4.858	70	10	CJIE	
CN[C@@H](c1cccc(Cl)c1F)[C@H]1CCC[C@@H](C)C1	218730683	DYGSRGCDSNXUHE-JRPNMDOOSA-N	269.791	4.566	70	10	CJIE	
F[B-](F)(F)C=CC(c1ccccc1)c1ccccc1	1912950459	GEVXDHVNIHUGQY-UHFFFAOYSA-N	261.075	4.761	70	10	CJIE	
CCCc1ccc([C@H](C)N[C@@H](C)CCSCC)cc1	159972757	UTXRHSGBXOXCGH-GJZGRUSLSA-N	279.493	4.821	70	10	CJIE	
CC(C)[C@H]1Nc2ccc(Cl)cc2O[C@@H]1c1ccccc1	160561300	UJCJLZIZRBCQOX-IAGOWNOFSA-N	287.790	4.910	70	10	CJIE	
C[C@@H](N[C@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccs1	160705498	CXXBADSPDILGHZ-TUVASFSCSA-N	263.450	4.758	70	10	CJIE	
CC(C)Cc1cccc(C(=O)CC2=CCCCC2)c1	161038333	QKNCZRSHXXRGNJ-UHFFFAOYSA-N	256.389	4.958	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)Cc1nc(C)c(C)s1	161395883	OEGCKGGQGAFREJ-INIZCTEOSA-N	292.492	4.561	70	10	CJIE	
CCCN[C@H](c1cc(OC)cs1)c1cc(C)sc1C	161505687	PPTLAGFTRBHFLK-HNNXBMFYSA-N	295.473	4.524	70	10	CJIE	
CC[C@H](C)[C@@H](c1ccccc1)[C@@H](O)c1ccc(F)cc1F	218127623	XYNGOFMQMQQGDS-IGNZVWTISA-N	290.353	4.828	70	10	CJIE	
C[C@H](O[C@@H](c1cccc(Cl)c1)[C@H](C)N)c1ccccc1	218718276	MMOJEUXEBPKWQQ-GDZNZVCISA-N	289.806	4.506	70	10	CJIE	
C=C(COc1ccccc1-c1ccccc1)[B-](F)(F)F	236129483	JNWBXHRSSAJGCC-UHFFFAOYSA-N	277.074	4.675	70	10	CJIE	
C=C(CCN(Cc1ccccc1)[C@H](C)CC)[B-](F)(F)F	1953582411	XKYPMYOBNCWOCF-CQSZACIVSA-N	284.154	4.620	70	10	CJIE	
C=C(CCN(CCC(C)C)CCC(C)C)[B-](F)(F)F	2044981293	FBVXHYZNNGRTCR-UHFFFAOYSA-N	278.191	4.714	70	10	CJIE	
C=C(CCN(C)[C@@H](C)C1CCC(C)(C)CC1)[B-](F)(F)F	2112187441	YYEPAIRUCOWJJU-ZDUSSCGKSA-N	290.202	4.856	70	10	CJIE	
O[C@H](CCC1CCCC1)c1cc2cc(F)ccc2o1	159419693	ZREGOTHELSGSDI-CQSZACIVSA-N	262.324	4.576	70	10	CJIE	
CCNCc1sc([C@@H]2CC[C@@H](CC)C2)nc1CC(C)C	159787254	AHWYVRBRYZYLHG-ZIAGYGMSSA-N	294.508	4.745	70	10	CJIE	
Cc1ccc(C)c(C[C@@H](O)c2ccccc2C2CCC2)c1	160027024	QAXKAXJRGZLDMQ-HXUWFJFHSA-N	280.411	4.847	70	10	CJIE	
CCSCC[C@H](C)N[C@H](C)c1ccc(C(C)C)cc1	160037066	SSSMKXHYKKEBMD-LSDHHAIUSA-N	279.493	4.992	70	10	CJIE	
CCN[C@H](c1ccoc1C)c1c(C)ccc2ccccc12	160913384	OXIWPKNROZRDMZ-LJQANCHMSA-N	279.383	4.749	70	10	CJIE	
CCCNCc1oc2c(Cl)cccc2c1CC(C)C	161149823	KKZOIOPULKFTKX-UHFFFAOYSA-N	279.811	4.784	70	10	CJIE	
Cc1ccc(N[C@@H](C)c2ccc(Cl)cc2)cc1N(C)C	161164611	XVFTWVITBVXLLT-ZDUSSCGKSA-N	288.822	4.888	70	10	CJIE	
BrCCCc1ccccc1Oc1ccccc1	167056643	FHSVTCWNIYDDFX-UHFFFAOYSA-N	291.188	4.806	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC1CC(c2ccccc2)C1	217887427	IZBQVILPAAQTKO-OUDVLWQGSA-N	285.475	4.983	70	10	CJIE	
C[C@H]1CCC[C@@H]([C@@H](O)Cc2ccc(Cl)cc2Cl)C1	217915449	BOCRXEGETKGQHR-NVBFEUDRSA-N	287.230	4.723	70	10	CJIE	
C=C(CCN(C)CC1CCC(CCC)CC1)[B-](F)(F)F	1877967693	MJIVPPSIJTWASY-UHFFFAOYSA-N	290.202	4.858	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@@H]1c1cccc(Cl)c1Br	1885274168	JHJMUKZWVXSMHK-RQJHMYQMSA-N	298.318	4.807	70	10	CJIE	
F[B-](F)(F)C=Cc1ccc(-c2nc3ccccc3s2)o1	1912965178	BABZMHBLJHXOAB-UHFFFAOYSA-N	294.086	4.956	70	10	CJIE	
C[C@@H](C[C@H](O)c1cccc2c1OCCC2)CC(C)(C)C	159752116	QZCYAHDJXJJCQV-BBRMVZONSA-N	276.420	4.507	70	10	CJIE	
CC1(C)CC[C@@H](CNc2ccc(-c3ccccc3)cc2)O1	160269304	HWHZOUSYZXPJLY-SFHVURJKSA-N	281.399	4.723	70	10	CJIE	
CC[C@H](N[C@@H]1CCc2ccc(C)cc21)C1CCCCC1	160822578	WXUCCPZTCAUCKP-RBUKOAKNSA-N	271.448	4.931	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](N)C1C(C)(C)C1(C)C	160867055	WMSRZYQWDGBJSE-MRXNPFEDSA-N	267.416	4.830	70	10	CJIE	
CCOC1(C(=O)[C@H]2CCC[C@H](CC)C2)CCCCCC1	161360921	FUNCRCGHEXQMHK-HOTGVXAUSA-N	280.452	4.901	70	10	CJIE	
CC(C)NCC1(C2=CCCCC2)CC2(CCCC2)C1	161454444	WYZGMEIOHSVILO-UHFFFAOYSA-N	261.453	4.825	70	10	CJIE	
Cc1nc(C(C)(C)C)sc1[C@@H](C)N[C@H]1CCC[C@@H](C)C1	218005509	CTGAHXDUFMEJOI-BZPMIXESSA-N	294.508	4.978	70	10	CJIE	
CCCCN([C@H](C)CC)[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1N	218698475	RGNDTCBFHLZIID-ZJPYXAASSA-N	296.543	4.819	70	10	CJIE	
CCNC[C@H](c1ccccc1Cl)[C@H]1C[C@@H]1c1ccccc1	159471401	MLBDJAWUXIRJSD-FGTMMUONSA-N	299.845	4.837	70	10	CJIE	
CCNC[C@H](C[C@@H]1CSc2ccccc21)C1CCCC1	159931431	MJCRGGWFZMEWTF-JKSUJKDBSA-N	289.488	4.682	70	10	CJIE	
O[C@H](c1cc2c(s1)CCCCC2)[C@@H]1C[C@H]1c1ccccc1	160052937	XFMGVPSWYWJUBI-FCEWJHQRSA-N	298.451	4.854	70	10	CJIE	
CCN[C@H](Cc1ccccc1F)c1cccc(C)c1Cl	160359118	XJTGPMNHOLTXSZ-MRXNPFEDSA-N	291.797	4.681	70	10	CJIE	
CC[C@H](C)c1cccc2c(C(C)(C)C)c(CN)oc12	161375611	ZJLIWNDIFOGIEV-NSHDSACASA-N	259.393	4.703	70	10	CJIE	
CCCNCc1oc2c(C(C)C)ccc(C)c2c1COC	161408607	RCEQGLDZORRLQC-UHFFFAOYSA-N	289.419	4.511	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1Cc1ccc(C)cc1	217762794	YZJMIUDLURKEOT-RCCFBDPRSA-N	273.464	4.588	70	10	CJIE	
Cc1ccsc1[C@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)[C@H](C)N	217898721	LSKULKJQEDNSOQ-FAAHXZRKSA-N	295.492	4.676	70	10	CJIE	
CCCC[C@@H](CC)CO[C@@H](C(C)C)[C@@H](O)c1ccccc1	218556099	BWYNNHQORBWGSC-NEWSRXKRSA-N	292.463	4.978	70	10	CJIE	
CCN[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ccccc1[C@@H](C)CC	218778139	RZXUKBGVNCZOHG-GFIVTLFCSA-N	289.463	4.746	70	10	CJIE	
CCc1ccc(C(=O)c2cn(C)c3cc(Cl)ccc23)cc1	159610516	RQBAWAWAQOANHU-UHFFFAOYSA-N	297.785	4.625	70	10	CJIE	
CCCN[C@@H](CC1CCCC1)C(CC)(CC)OCC	159873761	MNWWNVHBKYGPBG-INIZCTEOSA-N	269.473	4.530	70	10	CJIE	
O[C@H](c1ccccc1C1CCC1)c1cccc(F)c1Cl	160017756	UTZQQUOVIACUOL-QGZVFWFLSA-N	290.765	4.828	70	10	CJIE	
Fc1ccc([C@@H]2CNc3ccc(Cl)cc3O2)cc1Cl	160569974	MOKVDILSZJKQHR-AWEZNQCLSA-N	298.144	4.678	70	10	CJIE	
Cc1cc(C)c([C@H](N)Cc2ccc(F)cc2Cl)c(C)c1	160585738	GGABZNGRQFMXDU-MRXNPFEDSA-N	291.797	4.647	70	10	CJIE	
CN[C@H](CCC(C)C)c1c(C)ccc2ccccc12	160884980	BOEBHEIBRGQCIK-QGZVFWFLSA-N	255.405	4.845	70	10	CJIE	
CC(C)(C)c1ccc2oc(CNC3CC3)c(C3CC3)c2c1	161366503	APYYVMFKKSMNLB-UHFFFAOYSA-N	283.415	4.860	70	10	CJIE	
CCC[C@@H]1CC[C@H](N)[C@@H](Cc2c(C)cc(C)cc2C)C1	217680562	HYWCICKCAGBPAI-LMMKCTJWSA-N	273.464	4.698	70	10	CJIE	
Cc1cc([C@H](C)N[C@@H]2C[C@@H](C)CC(C)(C)C2)c(C)o1	218172460	ZZKMELDXAXXILB-OSAQELSMSA-N	263.425	4.762	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](N)[C@@H](c2ccc3ccccc3c2)C1	218516022	JFESYQYBABOZGX-LZQZEXGQSA-N	267.416	4.707	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](Cc2cc(C)cc(C)c2)C1	218749994	RUVZUFUTMSKNKD-BHIYHBOVSA-N	273.464	4.637	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](c2ccc(C)c(C)c2)C1	218757897	OMIDUGOMUHCYJR-BPQIPLTHSA-N	259.437	4.562	70	10	CJIE	
C[C@@]1(CN2CCC[C@H]([B-](F)(F)F)C2)CCCCC1(F)F	2133914214	RINBOXGIQUJFGD-RYUDHWBXSA-N	298.128	4.515	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OCCCCCC1CC1	2197474961	WARZDVGQWXDQSU-UHFFFAOYSA-N	299.165	4.653	70	10	CJIE	
Cc1ccc(Cl)cc1[C@@H](N)Cc1ccc(F)cc1Cl	160583818	LGPMTBDCXGNSOQ-HNNXBMFYSA-N	298.188	4.683	70	10	CJIE	
Cc1ccc2c(c1)[C@H](Nc1cc(F)c(F)cc1F)CC2	160823585	RRKIKPPMKDSSQH-OAHLLOKOSA-N	277.289	4.512	70	10	CJIE	
CC(C)[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1F	160873944	ZVLWBNAEJVLBNW-ZBFHGGJFSA-N	283.818	4.784	70	10	CJIE	
CCC[C@@H](C)[C@H](Cc1ccc(C(C)(C)C)cc1)NC	161244803	IDNXARBPUXSFKA-PBHICJAKSA-N	261.453	4.551	70	10	CJIE	
CCCN[C@H](C)c1c(F)cccc1N1CCC[C@@H](C)CC1	216822512	BOVYXRASKFKWOM-HUUCEWRRSA-N	292.442	4.513	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](N)[C@@H](Cc2cccc(C(F)(F)F)c2)C1	217778424	ACMRQWVMAZKZEE-YCPHGPKFSA-N	299.380	4.648	70	10	CJIE	
C[C@@H]1CCC[C@H](N[C@H](c2ccc(F)cc2)C2CC2)[C@@H]1C	217897798	DRBBIWDIUMCPHT-OSLDLMBLSA-N	275.411	4.691	70	10	CJIE	
CC(C)c1ccc(C[C@H](O)[C@H]2CCC[C@@H](C)C2)cc1	217917492	IRQJLYBOQKNEKA-JLSDUUJJSA-N	260.421	4.540	70	10	CJIE	
CCN[C@H](c1ccc(F)c(C)c1)[C@@H]1CCC[C@@H](C)C1	217981018	KPDCVRRMBZUDDN-MRRJBJDNSA-N	263.400	4.611	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1N[C@H](c1ccccc1)C(C)C	218154269	WNUUCMREIZBWCH-SZMVWBNQSA-N	259.437	4.942	70	10	CJIE	
Cc1ccc(C)c([C@H](O)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)c1	218555586	BAOIOGNUVIKJRU-QGPMSJSTSA-N	290.447	4.568	70	10	CJIE	
C[C@@H]1CCC[C@H](OC[C@@H](O)c2ccc(C(C)(C)C)cc2)C1	218559380	HSZWLXOHBYHVNJ-FHLIZLRMSA-N	290.447	4.613	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](CN)[C@@H](c2ccc3ccccc3c2)C1	218766695	BPAJNDHXOJVEPL-LSTHTHJFSA-N	281.443	4.954	70	10	CJIE	
Cc1cc(OCC2CC(C(C)(C)C)C2)ccc1[B-](F)(F)F	2161216557	JIKOGUITAFFWSU-UHFFFAOYSA-N	299.165	4.501	70	10	CJIE	
CCCN[C@H](CS[C@H]1CCC[C@H](C)C1)C1CCCC1	159367968	UDNSSJDOMIVHCG-BHYGNILZSA-N	283.525	4.857	70	10	CJIE	
CC1(C)C([C@H](O)c2cccc(C3CCC3)c2)C1(C)C	160177384	DEAJDTCMRHSEOZ-OAHLLOKOSA-N	258.405	4.670	70	10	CJIE	
O[C@H](Cc1ccc(Cl)cc1F)CC1CCCCCC1	160409304	BHAUQVKSMRQFCX-HNNXBMFYSA-N	284.802	4.743	70	10	CJIE	
CO[C@@]1(C(=O)c2cccc3ccccc23)CCC[C@H](C)C1	161129251	FKJKLLHGWUFNPG-LIRRHRJNSA-N	282.383	4.618	70	10	CJIE	
CCCCCCCCCOc1cccc([B-](F)(F)F)c1	203322028	KKPYXNBOPIOVCT-UHFFFAOYSA-N	287.154	4.870	70	10	CJIE	
CC[C@H](C)c1ccccc1NC(=O)NCCc1ccccc1	217304833	PFFOUOZDEUNLQO-HNNXBMFYSA-N	296.414	4.564	70	10	CJIE	
CCCN[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1CCC	217769204	CIUYWOONFXNZMD-FGTMMUONSA-N	259.437	4.739	70	10	CJIE	
C=CCCCCCCCN1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2227285615	KGUHWLDYGXCWOG-LSDHHAIUSA-N	288.186	4.826	70	10	CJIE	
CCC(CC)(CNC(C)C)[C@@H]1C[C@H]1c1ccccc1	159425326	ASSVIGLKDFKQJS-DLBZAZTESA-N	259.437	4.595	70	10	CJIE	
CCC(CC)CN(CC)[C@H](c1cccc(C)c1)[C@@H](N)CC	217812428	ALMWAOKNNKSWCD-RBUKOAKNSA-N	290.495	4.532	70	10	CJIE	
C[C@H]1CCCC[C@H]1CN[C@H](C)c1ccc(Cl)cc1	218164226	CYIXIDBZYVAZKB-GUTXKFCHSA-N	265.828	4.817	70	10	CJIE	
CC[C@@H](N)[C@H](O[C@@H]1CCC[C@@H](C)C1)c1ccc(Cl)cc1	218273948	NDBHRMMWMBAPKL-BASLNEPJSA-N	295.854	4.714	70	10	CJIE	
CCCC[C@H](CC)CN1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2073772166	NJZHRAPBDJDLAQ-BFHYXJOUSA-N	276.175	4.516	70	10	CJIE	
Cc1cc(OCC2C[C@H](C)C[C@@H](C)C2)ccc1[B-](F)(F)F	2149170472	NSDNNOSOHFQHFN-VXGBXAGGSA-N	299.165	4.501	70	10	CJIE	
Cc1ccc(O[C@@H]2CCC3(CCCC3)C2)c([B-](F)(F)F)c1	2155209703	JDXXXVZMMJASFB-CYBMUJFWSA-N	297.149	4.541	70	10	CJIE	
CC(C)=C(CSc1cc(F)ccc1F)[B-](F)(F)F	2301863911	ITNDTCDQTZYXMI-UHFFFAOYSA-N	281.078	4.780	70	10	CJIE	
CNCc1sc(-c2ccc(C(C)C)cc2)nc1C1CC1	159433691	PNRUNZVNQYFGHN-UHFFFAOYSA-N	286.444	4.530	70	10	CJIE	
C[C@H]1CCCC[C@H]1N[C@H](C)c1ccc(Br)cc1	160022912	OHVBBSGTEDKYMR-YWPYICTPSA-N	296.252	4.678	70	10	CJIE	
CCCC[C@@H](CC)[C@H](Cc1ccc(F)cc1Cl)NC	160564026	WXCDKGOKJLZBCL-WBMJQRKESA-N	285.834	4.826	70	10	CJIE	
Fc1cc(Cl)ccc1CNc1ccc2[nH]ccc2c1	160664349	OISLDCLGEHGTQA-UHFFFAOYSA-N	274.726	4.573	70	10	CJIE	
Cc1ccc(NCc2cccc(C3CC3)c2)cc1N(C)C	161234736	IHEJJSXSBVPVAG-UHFFFAOYSA-N	280.415	4.551	70	10	CJIE	
CCN[C@H]1CC[C@@H](CC)C[C@@H]1Cc1ccc(Cl)s1	217673562	AAAAPPMKYWFJIM-BZPMIXESSA-N	285.884	4.748	70	10	CJIE	
CC(C)CC[C@H](C)NCCO[C@H]1C[C@@H](C)CC[C@@H]1C(C)C	217889201	PGUYIOFKLJMJDA-OKYOBFRVSA-N	297.527	4.878	70	10	CJIE	
CCCC[C@H](CC)CO[C@@H](c1ccsc1)[C@@H](N)CC	218269987	YIAKYTMVKUUQEU-BPUTZDHNSA-N	283.481	4.760	70	10	CJIE	
CCN[C@@H]1CC[C@@H](C(C)(C)CC)C[C@@H]1N(C)C(CC)CC	218640730	WKWKPCUJCIZFSR-NXHRZFHOSA-N	296.543	4.690	70	10	CJIE	
O=C(NC=C1CCCC1)Nc1cccc(Cl)c1Cl	218754833	IOQCCEKULRUBSO-UHFFFAOYSA-N	285.174	4.573	70	10	CJIE	
Cc1cc(Cl)ccc1C12CC([B-](F)(F)F)(C1)C2	1887484480	HGIBXWTYNPYIDZ-UHFFFAOYSA-N	259.487	4.672	70	10	CJIE	
CCCCOCCCN[C@H]1CCC[C@@H](C(C)(C)C)CC1	160251660	BEZZHMBXIOKJOX-SJORKVTESA-N	283.500	4.778	70	10	CJIE	
C[C@H](CCNCc1cc(F)cc(Cl)c1)c1ccccc1	160934288	RWTDCBIMSCEPGV-CYBMUJFWSA-N	291.797	4.763	70	10	CJIE	
CN[C@@H](CC1CCCCC1)c1cccc(OC(F)F)c1	161044252	WWLZGYZFFSXLQS-HNNXBMFYSA-N	283.362	4.519	70	10	CJIE	
COc1ccc(Cl)cc1NCc1coc2ccccc12	161063775	NVOPKNFOTAXKDQ-UHFFFAOYSA-N	287.746	4.707	70	10	CJIE	
CCCN[C@H](Cc1ccc(CC)s1)[C@@H]1CCCCS1	161451872	WXMSSYACHDUIEK-CVEARBPZSA-N	297.533	4.507	70	10	CJIE	
CCC[C@@H]1CC[C@H](CNC)[C@@H](Cc2cc(F)ccc2C)C1	218342490	DMZHZAZXVLFUIR-JFIYKMOQSA-N	291.454	4.729	70	10	CJIE	
CCN[C@@H]1CC[C@@H](C(C)(C)CC)C[C@@H]1N(C)C[C@@H](C)CC	218636154	ODBVYYOMSKWLJN-MLHJIOFPSA-N	296.543	4.547	70	10	CJIE	
CC[C@@H]1CC[C@H](CN)[C@@H](c2ccc(C(C)(C)C)cc2)C1	218683631	HYMRKDQLVQJLRZ-QGPMSJSTSA-N	273.464	4.853	70	10	CJIE	
CC(C)=C(CN1CC[C@]12CCCC(C)(C)C2)[B-](F)(F)F	2340325280	JIURLIATVZLZQC-HNNXBMFYSA-N	288.186	4.754	70	10	CJIE	
CCc1noc(C)c1CNc1c(C)cccc1C(C)C	159480138	UVQCASCSEGVDRV-UHFFFAOYSA-N	272.392	4.589	70	10	CJIE	
CC(C)c1cccc(NC2=NCC3(CCCC3)CS2)c1	160218402	METIBHCOJVGVAV-UHFFFAOYSA-N	288.460	4.885	70	10	CJIE	
CCN[C@H](c1c(Cl)cnn1C(C)C)[C@H]1CC[C@H](CC)C1	160595342	VXCMQGAYQIISOU-YDHLFZDLSA-N	297.874	4.594	70	10	CJIE	
CC(C)[C@@H](NCc1coc2ccccc12)c1cccs1	161080811	FEXSOYPJWZUDBK-QGZVFWFLSA-N	285.412	4.981	70	10	CJIE	
CCCc1ccc([C@@H](O)c2cc(F)cc(Cl)c2)cc1	161233336	LRBFIULLTSMGDN-MRXNPFEDSA-N	278.754	4.513	70	10	CJIE	
CCOc1ccc2oc(CNCC(C)C)c(C(C)C)c2c1	161312320	KFQNKRJUIKSVOM-UHFFFAOYSA-N	289.419	4.701	70	10	CJIE	
CO[C@H](C(=O)c1cccc2ccsc12)C1CCCCC1	161372900	AQPWOPHTRCIIOZ-INIZCTEOSA-N	288.412	4.679	70	10	CJIE	
CC(C)CNC/C(=C/c1cc(F)cc(Cl)c1)C(C)C	161436384	UMVADVUKMRZOLS-RZNTYIFUSA-N	283.818	4.764	70	10	CJIE	
C[C@@H](NCCCC1CC1)c1cccc(C(F)(F)F)c1	161444564	VCITYKIUGYBRGI-LLVKDONJSA-N	271.326	4.546	70	10	CJIE	
CC(C)(C)c1csc2c(Br)cccc12	218683899	VRENDIJHAKNBHK-UHFFFAOYSA-N	269.207	4.961	70	10	CJIE	
CNC[C@]1(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CCC[C@H](C)C1	218750105	MNIFWUDETARDFM-QTMHVTGLSA-N	295.511	4.632	70	10	CJIE	
Cc1cc(OCC2CCC(C)(C)CC2)ccc1[B-](F)(F)F	312840056	VFDXDJOXJXVBLQ-UHFFFAOYSA-N	299.165	4.645	70	10	CJIE	
BrCCCCCCCn1ccc2ccccc21	34442105	KRRUFIDJYGKVLD-UHFFFAOYSA-N	294.236	4.987	70	10	CJIE	
F[C@H](CBr)c1cccc(Oc2ccccc2)c1	144236130	GDGBTYMUTRPSGU-CQSZACIVSA-N	295.151	4.884	70	10	CJIE	
CCCCC1CCC(c2nc3cc(O)ccc3[nH]2)CC1	161215600	QHGFJVFDYFXMGV-UHFFFAOYSA-N	272.392	4.733	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)C[C@H]1Cc2ccccc21	161406409	NNKZMGAZPNHMAU-RTBURBONSA-N	283.459	4.975	70	10	CJIE	
CC(C)Oc1ccccc1[C@@H](C)NC1[C@@H](C)CCC[C@H]1C	218078593	BLVIPWXCRCJZCD-ONXYJPLBSA-N	289.463	4.949	70	10	CJIE	
Cc1cc(C)c(CN[C@@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1C	218210464	QJDPUBQDSINPAG-HKUYMTLNSA-N	283.459	4.526	70	10	CJIE	
CC(C)/C=C/NC(=O)Nc1ccc(Oc2ccccc2)cc1	218506397	JZLUTEFFSQZWFO-OUKQBFOZSA-N	296.370	4.770	70	10	CJIE	
CCCN[C@@H](c1ccc(C)cc1)[C@H](C)N(C)[C@@H](C)CCC	218642760	KXLFUOLLSVMBMW-JENIJYKNSA-N	290.495	4.545	70	10	CJIE	
C[C@H](CN1CCC[C@@H]([B-](F)(F)F)C1)C1CCCCC1	2070265397	XKNWGQBMLQQTSR-TZMCWYRMSA-N	276.175	4.516	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1OCC[C@H]1CCC[C@H](C)C1	2279814749	UPXLLGUEEVQIQL-GXTWGEPZSA-N	299.165	4.645	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(OCCCCC[C@@H]2C[C@@H]2C)c1	2284870523	JQMVPZLLLGBXNA-UONOGXRCSA-N	299.165	4.645	70	10	CJIE	
CC(C)=C(CN1CC[C@H](C)c2ccccc21)[B-](F)(F)F	2340132042	JSIRFQSXIBVESX-LBPRGKRZSA-N	282.138	4.723	70	10	CJIE	
CC(C)=C(CN(C)[C@@H]1C[C@@H](C)CC(C)(C)C1)[B-](F)(F)F	2340140773	QOUKAOXNFRDNDT-CHWSQXEVSA-N	290.202	4.856	70	10	CJIE	
Cc1cccc(-c2onc(N)c2-c2ccccc2)c1Cl	160493677	NAXVKRUNTOWYDF-UHFFFAOYSA-N	284.746	4.553	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCc1coc2ccccc12	161077796	OPRWGDLPTPJOJP-QGPMSJSTSA-N	285.431	4.983	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1N[C@@H](C)Cc1ccccc1	217520243	ASBCQSZCGGWBDO-DKKFBQAASA-N	273.464	4.668	70	10	CJIE	
CCC[C@H]1CC[C@@H](NCC)[C@@H](Cc2cccc(C)c2)C1	217728786	GSNQSEQHCVBDFI-QXAKKESOSA-N	273.464	4.732	70	10	CJIE	
CCC[C@H](NCCN(C)[C@@H](C)CC)c1ccc(Cl)cc1	217773034	CDSAGZNCYKLMMT-YOEHRIQHSA-N	296.886	4.501	70	10	CJIE	
CCN[C@@H](Cc1ccc(F)cc1Cl)[C@@H]1CCC[C@@H](C)C1	217986386	JBJRYRVXKODTLZ-MRRJBJDNSA-N	297.845	4.826	70	10	CJIE	
C[C@@H](N[C@H]1C[C@@H]2CC=C[C@H]21)c1ccc(C(C)(C)C)cc1	218038748	KTUUUGDIJOGAKF-SIUPPRGNSA-N	269.432	4.599	70	10	CJIE	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NCCC1=CCCCC1)C2	218577150	LRXFCHYFOPGPCV-BQFCYCMXSA-N	261.453	4.681	70	10	CJIE	
C=C(CCN(C)[C@H]1CCC2(CCCCC2)C1)[B-](F)(F)F	2107126888	QZLGRCGXVCIZRJ-AWEZNQCLSA-N	288.186	4.754	70	10	CJIE	
CC(C)=C(CN(C)C1CC(CC(C)(C)C)C1)[B-](F)(F)F	2340333014	BHNWIPGDOJITFJ-UHFFFAOYSA-N	290.202	4.856	70	10	CJIE	
Cc1cccc([C@@H](O)c2cc3cccc(Cl)c3o2)c1F	159671846	FMLKVOZJRHQGFD-OAHLLOKOSA-N	290.721	4.615	70	10	CJIE	
FC(F)(F)c1ccc([C@H]2CCNC[C@@H]2C2CCCC2)cc1	160121235	ZFZSIXWWXMGMNW-HZPDHXFCSA-N	297.364	4.589	70	10	CJIE	
CCN[C@H](Cc1ccc(F)cc1Cl)c1cc(C)oc1C	160586868	AMGGSNYTFJFTHA-MRXNPFEDSA-N	295.785	4.582	70	10	CJIE	
Fc1cc(Cl)ccc1CNc1ccc2c(c1)CCC2	160646057	RVPGQMSGVCCJDF-UHFFFAOYSA-N	275.754	4.580	70	10	CJIE	
CCC[C@H]1CC[C@H](NC)[C@@H](CCCc2ccccc2)C1	217704105	MVDHBKSVQJOFGN-FHWLQOOXSA-N	273.464	4.814	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCc1cc2ccccc2o1	218480979	ZYBUXSGGSREHQB-JLSDUUJJSA-N	285.431	4.983	70	10	CJIE	
CCN[C@H]1CC[C@@H](C(C)(C)CC)C[C@@H]1N(C)CCC(C)C	218669379	VDSHZCPXMDRTQG-SQNIBIBYSA-N	296.543	4.547	70	10	CJIE	
CCCCN([C@@H](C)CC)[C@@H](C)[C@@H](N)c1ccc(CC)cc1	218697319	IOSPSBJSEYTOMC-TXPKVOOTSA-N	290.495	4.538	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](Cc2c(F)cccc2Cl)C1	218742024	ISMNNZRXVZLIIQ-HZSPNIEDSA-N	297.845	4.813	70	10	CJIE	
CC(C)(c1ccccc1)c1ccc(OC[B-](F)(F)F)cc1	379427413	RYVDRPKEJJBANG-UHFFFAOYSA-N	293.117	4.778	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@H]1c1cc(Cl)cc(Br)c1	1885273256	AETDRMZNJAXGNA-DTWKUNHWSA-N	298.318	4.807	70	10	CJIE	
F[B-](F)(F)C=Cc1ccc(Cl)cc1Br	1912050954	NZUFVXAZVXJPPT-UHFFFAOYSA-N	284.291	4.502	70	10	CJIE	
C[C@H]1CCC[C@H](Oc2nc3ccccc3cc2CCl)C1	20517658	TUZKUQOYGVPJND-WFASDCNBSA-N	289.806	4.931	70	10	CJIE	
CNCc1ccc(-c2c(C)ccc3ccccc23)cc1F	160961825	UZSXNUPIELJNFY-UHFFFAOYSA-N	279.358	4.674	70	10	CJIE	
N[C@@H](CC1CCCCC1)c1ccccc1C(F)(F)F	160977363	FRLGHGNEMGHXGP-AWEZNQCLSA-N	271.326	4.676	70	10	CJIE	
CCN(C(=O)Nc1c(F)cccc1Cl)c1ccccc1	217313141	DAEBHTYOBLPAET-UHFFFAOYSA-N	292.741	4.538	70	10	CJIE	
CCc1ccccc1NC(=O)Nc1c(F)cccc1Cl	217313264	YDGXXQQDBBLQFI-UHFFFAOYSA-N	292.741	4.686	70	10	CJIE	
Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@H]1CCC[C@@H](C)C1	218005572	CTGAHXDUFMEJOI-DYEKYZERSA-N	294.508	4.978	70	10	CJIE	
CCCN[C@@H](c1ccc(OC)c(F)c1)[C@H]1CCC[C@@H](C)C1	218026631	QGNYDDQTNNVXHX-QWQRMKEZSA-N	293.426	4.701	70	10	CJIE	
C[C@@H](N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1	218072349	SBAUBHJLBAGASB-GRZALLJUSA-N	263.469	4.760	70	10	CJIE	
CC[C@H](C)c1ccccc1NC(=O)N/C=C/C(C)(C)C	218573839	JEAJSSLIUVXOND-YLSINNKHSA-N	274.408	4.881	70	10	CJIE	
CCCc1cccc([C@@H](O)c2ccc(Cl)c(C)c2)c1	159829400	JTYSILPPLDOMEI-QGZVFWFLSA-N	274.791	4.683	70	10	CJIE	
CO[C@]1(C(=O)c2ccc(C3CCC3)cc2)CCC[C@@H](C)C1	161028153	DBQGIERRXRSRDX-AUUYWEPGSA-N	286.415	4.732	70	10	CJIE	
Cc1ccc(C[C@@H](C)NCc2coc3ccccc23)s1	161104886	IMJHIZNITWGFET-GFCCVEGCSA-N	285.412	4.524	70	10	CJIE	
CC[C@H]1CC[C@H](NC)[C@@H](Cc2ccc(C(F)(F)F)cc2)C1	217652315	QHIJIJZSLDWATG-BJJXKVORSA-N	299.380	4.662	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NC)[C@@H](CCCc2ccccc2)C1	217703844	MVDHBKSVQJOFGN-CEXWTWQISA-N	273.464	4.814	70	10	CJIE	
CCCN[C@@H]1CC[C@@H](CCC)C[C@@H]1Cc1cccs1	217736409	MBFXHDIJAOQCQS-BFYDXBDKSA-N	279.493	4.875	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)C)C[C@@H]1Cc1cc(C)cc(C)c1	217785105	KHJKPVZZMGXIEW-GBESFXJTSA-N	273.464	4.506	70	10	CJIE	
Cc1cc(C)cc(C[C@]2(O)C[C@@H](C)CC[C@H]2C(C)C)c1	217864725	MMVYDCKEHWDSBV-ZOCIIQOWSA-N	274.448	4.669	70	10	CJIE	
CCN[C@H](Cc1cc(C)ccc1C)[C@H]1CCC[C@@H](C)C1	217982836	BBHRKNMXJLIONK-DKSSEZFCSA-N	273.464	4.650	70	10	CJIE	
COc1ccc(F)cc1[C@@H](C)N[C@H]1C[C@@H](C)CC(C)(C)C1	218039038	CBWKWVMGCPGSOV-NFAWXSAZSA-N	293.426	4.700	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCCN(CC[C@H]2CCCCC23CC3)C1	2264940269	LPPWWYXXWCYHHY-ZIAGYGMSSA-N	288.186	4.660	70	10	CJIE	
CCc1ccccc1OCCCCCCCBr	145573614	JMJMRUMIHMAKHP-UHFFFAOYSA-N	299.252	4.973	70	10	CJIE	
O[C@H]([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H]1C[C@@H]1c1ccccc1	160033185	KJPNHFOXVBTDAJ-WBUMTXOPSA-N	284.443	4.758	70	10	CJIE	
CCCN[C@H](c1c(Cl)cnn1CC)C1CCCCCC1	160491403	NXOYWZDQLTUNRF-HNNXBMFYSA-N	297.874	4.568	70	10	CJIE	
CC[C@@H]1CCC[C@H]([C@H](NC)c2c(Cl)cnn2C(C)C)C1	160536312	AOUMQSRHJAQNCL-IPYPFGDCSA-N	297.874	4.594	70	10	CJIE	
CCCc1nc(Cl)c(C)c(Oc2ccc(F)cc2C)n1	160569888	FFNTZYJBZSJYNX-UHFFFAOYSA-N	294.757	4.631	70	10	CJIE	
CCSCC[C@@H](C)n1c(C)cc2c1CC(C)(C)C[C@@H]2O	160720656	CGNNNCDTKOKBGH-WBMJQRKESA-N	295.492	4.507	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)c1ccc(OC)cc1	161382534	OORAUCBJCAQNKJ-GOSISDBHSA-N	273.420	4.626	70	10	CJIE	
C[C@H](N[C@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(F)cc1Cl	217892788	JZBFDTWKOYRLIW-YRORDHRNSA-N	283.818	4.954	70	10	CJIE	
C[C@H]1CCC[C@@H]([C@@H](O)c2ccc3ccccc3c2)C1	217911928	KWGSZLKEKIWVCM-FDQGKXFDSA-N	254.373	4.700	70	10	CJIE	
CCc1cccc(C)c1N[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218091498	XNSTYBWSKILMOK-AVEIZBFRSA-N	269.432	4.794	70	10	CJIE	
CCC(CC)CN(CC)[C@@H](C(C)C)[C@@H](O)c1ccccc1	218529525	ZOWVMADYOJJRAT-OALUTQOASA-N	291.479	4.503	70	10	CJIE	
CCCCN([C@@H](C)CC)[C@@H](C)[C@@H](O)c1ccc(CC)cc1	218532688	YNOXMBGTGBVAAL-TXPKVOOTSA-N	291.479	4.572	70	10	CJIE	
CCCCCC[C@H](C)O[C@H](C)[C@@H](O)c1ccc(C)cc1	218552500	MIOAERMLLFPUOK-LZLYRXPVSA-N	278.436	4.792	70	10	CJIE	
CCc1cccc(C)c1NC(=O)NC=C1CCCCC1	218673676	WNUIFXRQJXXBGH-UHFFFAOYSA-N	272.392	4.527	70	10	CJIE	
CCCCN([C@H](C)CC)[C@@H]1C[C@H](C(C)C)CC[C@@H]1NCC	218697552	QWKNFHWKRIAUQL-AKHDSKFASA-N	296.543	4.690	70	10	CJIE	
C=C(CCO[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[B-](F)(F)F	2044979735	LXRLETHTIIEPCI-KWCYVHTRSA-N	277.159	4.797	70	10	CJIE	
CCCC1CCC(CN2CC[C@](C)([B-](F)(F)F)C2)CC1	2342525635	CFYAEYZDVIEGGR-NRXISQOPSA-N	290.202	4.906	70	10	CJIE	
O[C@H](c1cc2cc(Cl)ccc2o1)[C@@H]1C[C@H]1c1ccccc1	159369226	VJPCIUNYOMNZCD-DAYGRLMNSA-N	298.769	4.923	70	10	CJIE	
COc1cc(N[C@H](c2ccc(F)cc2)C2CC2)ccc1F	159896533	ATSBHZBEFRTYFK-KRWDZBQOSA-N	289.325	4.537	70	10	CJIE	
CCOC1(C(=O)c2ccc(C3CCC3)cc2)CCCCC1	160814069	YKXVFBOCBALOBZ-UHFFFAOYSA-N	286.415	4.876	70	10	CJIE	
CCCN[C@H](c1cccc(C)c1C)[C@@H]1CCCCS1	161427791	CLEGQANHUMKKLY-DLBZAZTESA-N	277.477	4.630	70	10	CJIE	
CC[C@@H]1CC[C@@H](NC)[C@@H](Cc2ccc(C(F)(F)F)cc2)C1	217652042	QHIJIJZSLDWATG-XNRPHZJLSA-N	299.380	4.662	70	10	CJIE	
Cc1c(C(C)C)[nH]c2cc(F)c(Br)cc12	218702394	GNOZEBXUHGEEBQ-UHFFFAOYSA-N	270.145	4.501	70	10	CJIE	
CC(C)(C)c1ccccc1CN1CCC([B-](F)(F)F)CC1	2239533371	AAYWUIYZBBBSBP-UHFFFAOYSA-N	298.181	4.798	70	10	CJIE	
CC(C)(C)NC[C@H](C1CCCC1)[C@H]1C[C@@H]1c1ccccc1	159494008	UASQMVWUJXTWLB-CEXWTWQISA-N	285.475	4.985	70	10	CJIE	
CCCCC[C@@H](NCC)c1ccccc1C(F)(F)F	159530198	AFTWMZMGDCEADW-CQSZACIVSA-N	273.342	4.936	70	10	CJIE	
Cc1cc(F)ccc1Oc1ccc(CNCC(C)C)cc1	160605109	YUYXFXHEDFROPK-UHFFFAOYSA-N	287.378	4.672	70	10	CJIE	
C[C@H](NCc1cc(F)cc(Cl)c1)C1CCCCCC1	160968137	ALUNGHYLUZSVOD-LBPRGKRZSA-N	283.818	4.928	70	10	CJIE	
CCO[C@@]1(C(=O)c2cc(C)c(C)cc2C)CCC[C@H](C)C1	161192226	QHNMFQJYFPUJPI-DJJJIMSYSA-N	288.431	4.780	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1ccc(Cl)c(OC)c1	161323327	XQWIETZGOUBSGF-INIZCTEOSA-N	293.838	4.890	70	10	CJIE	
CCCc1ccc(C(=O)C2(OCC)CCCCCC2)cc1	161346427	XSZRPEZONMDSNC-UHFFFAOYSA-N	288.431	4.951	70	10	CJIE	
CC[C@H](C)c1ccc(OCc2cccc(OC)c2)cc1	217401162	CMUQSTSYQSIWMS-AWEZNQCLSA-N	270.372	4.788	70	10	CJIE	
c1ccc2c(CN[C@@H]3C[C@H]4C[C@@H]3[C@@H]3CCC[C@@H]43)csc2c1	217576705	GCVZWMUMIPFYLV-PYHPYESLSA-N	297.467	4.816	70	10	CJIE	
c1cc2cc(N[C@H]3CC[C@@H]4CCCC[C@H]4C3)ccc2[nH]1	217932851	UJSGWQDGKKYMEX-DZKIICNBSA-N	268.404	4.939	70	10	CJIE	
CO[C@@H]1CCCC[C@@H]1N[C@H](c1ccc(Cl)cc1)C(C)C	218089293	OOAKEKOIFPQIPI-BBWFWOEESA-N	295.854	4.584	70	10	CJIE	
CCC[C@@H]1CC[C@H](O)[C@@H](Cc2cccc3ccccc23)C1	218299425	PAFIDRHMUQMCNI-ZTNFWEORSA-N	282.427	4.960	70	10	CJIE	
CCCC[C@@H](CC)CO[C@H](C(C)C)[C@@H](O)c1ccccc1	218556260	BWYNNHQORBWGSC-NZSAHSFTSA-N	292.463	4.978	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](CN)[C@@H](Cc2c(F)cccc2Cl)C1	218781552	SUAMOTYMRAUHMP-MGPQQGTHSA-N	297.845	4.669	70	10	CJIE	
CC[C@@H]1CCCC[C@@H]1OC[C@@H](NC)c1ccc(C)c(C)c1	218782453	GXNZYEAKPLBCOM-QRQLOZEOSA-N	289.463	4.549	70	10	CJIE	
CCN[C@H](CSCc1cccc(C)c1)C1CCCCC1	159370517	BZZVICHBRXLKTN-GOSISDBHSA-N	291.504	4.787	70	10	CJIE	
CCNC[C@H](c1cccc(Cl)c1)[C@H]1C[C@@H]1c1ccccc1	159465737	CZSDHAJKXCOWEM-CEXWTWQISA-N	299.845	4.837	70	10	CJIE	
CC(C)Cc1cccc([C@@H](O)c2cccc(F)c2Cl)c1	159854886	ORIAVLQAVLYWIJ-QGZVFWFLSA-N	292.781	4.759	70	10	CJIE	
Cc1ccc2c(c1)[C@H](N[C@@H]1CCCC[C@@H]1C(F)(F)F)CC2	160797032	NBIGMPRBGHWMPG-ARFHVFGLSA-N	297.364	4.693	70	10	CJIE	
O=C(CC1=CCCCC1)Cc1cccc2ccccc12	161030684	LWEWUIGDHFVASO-UHFFFAOYSA-N	264.368	4.842	70	10	CJIE	
CCN[C@@H](CC1CCCCC1)c1cc2c(s1)CCC2	161080319	ZPMIGLQGTBXRDH-HNNXBMFYSA-N	277.477	4.858	70	10	CJIE	
CNCc1oc2c(C)ccc(C(C)C)c2c1C(C)(C)C	161444552	HYOYUGWSUJSXQE-UHFFFAOYSA-N	273.420	4.882	70	10	CJIE	
CC[C@@H]1CC[C@@H](NC)[C@@H](Cc2cccc3ccccc23)C1	217655390	YAWJNZBHBQNUBE-XFQXTVEOSA-N	281.443	4.797	70	10	CJIE	
CCCN[C@H](c1cc(C)ccc1OC)[C@H]1CCC[C@@H](C)C1	218025902	MELMNVHDOUHDGA-ALKREAHSSA-N	289.463	4.871	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1cccc(F)c1F	218122958	WRDQIUYJHWSDOA-HUBLWGQQSA-N	267.363	4.838	70	10	CJIE	
F[B-](F)(F)C=Cc1cc(-c2cccs2)cs1	1912976002	GKIJPYCJSWSEJU-UHFFFAOYSA-N	259.106	4.876	70	10	CJIE	
Cc1cc(F)c([C@H]2C[C@H]2[B-](F)(F)F)c(Br)c1	1975298839	OLECZZOFASKTEK-NKWVEPMBSA-N	295.890	4.602	70	10	CJIE	
CC(C)=C(CN1CC[C@H]2CCCCC[C@H]2C1)[B-](F)(F)F	2340327422	CLOGBBZRFICTCN-KGLIPLIRSA-N	288.186	4.612	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCN(C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1	2342456288	CIQRQNDJUWMSSF-LXTVHRRPSA-N	288.186	4.516	70	10	CJIE	
CCOC(CC)(CC)C(=O)Cc1cccc2ccccc12	160655058	SSQAVYOOEQYBER-UHFFFAOYSA-N	284.399	4.547	70	10	CJIE	
CNCc1oc2cc(C)c(Cl)c(C)c2c1CC(C)C	161425293	LLESTPSXAFIDNM-UHFFFAOYSA-N	279.811	4.621	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1N[C@@H](C)c1ccsc1	217530088	AJAMXTPZNJEHJE-VRKREXBASA-N	265.466	4.860	70	10	CJIE	
CCCCCN(C(C)C)[C@@H](c1ccccc1F)[C@@H](N)CC	217825242	CJPAIWDPTSNDBA-ROUUACIJSA-N	294.458	4.505	70	10	CJIE	
Cc1ccc([C@H](C)N[C@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1C	218013808	RMVBURUNCHBVJR-QYEVSOCMSA-N	283.459	4.779	70	10	CJIE	
CC(C)Oc1ccccc1[C@@H](C)NC1[C@@H](C)CCC[C@@H]1C	218078513	BLVIPWXCRCJZCD-HRCADAONSA-N	289.463	4.949	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](c2cc(C)ccc2C)C1	218753612	BVAPHIHANVBYPH-RYRKJORJSA-N	259.437	4.562	70	10	CJIE	
C[C@@]1(CN2CC[C@](C)([B-](F)(F)F)C2)CCCCC1(F)F	2342554201	IOUBNXQLIFTRJF-RYUDHWBXSA-N	298.128	4.515	70	10	CJIE	
Cc1nc2c(Cl)cc(Cl)cn2c1-c1ccc(F)cc1	159481840	YXRSUSNGDNVCRX-UHFFFAOYSA-N	295.144	4.756	70	10	CJIE	
CCc1ccc(C[C@@H](CC2CCCCCC2)NC)s1	161130674	JAELVFZDHGXRIP-OAHLLOKOSA-N	279.493	4.802	70	10	CJIE	
C[C@@H]1C[C@H]1C(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C	161475206	RKRHBEWYPCECFX-TZMCWYRMSA-N	270.416	4.874	70	10	CJIE	
CCN[C@H]1CC[C@@H](CC)C[C@@H]1Cc1ccc(F)cc1Cl	217672892	DGBUNYLJJZKQCC-MRRJBJDNSA-N	297.845	4.826	70	10	CJIE	
CC[C@H]1CCCC[C@H]1N[C@H](c1ccccc1)c1ccco1	217851650	SOKLZILVWQLIOX-KVSKMBFKSA-N	283.415	4.927	70	10	CJIE	
F[B-](F)(F)/C=C\c1cc(Br)ccc1Cl	382592765	JRNPMNYVDUBEIZ-ARJAWSKDSA-N	284.291	4.502	70	10	CJIE	
Fc1ccc(C23CC([B-](F)(F)F)(C2)C3)c(Cl)c1	1887484505	SBFWTLFNKUDPDA-UHFFFAOYSA-N	263.450	4.502	70	10	CJIE	
CCN(CC(=C(C)C)[B-](F)(F)F)c1ccc(C)cc1	2317858808	YZOIBBSMPRXGRL-UHFFFAOYSA-N	270.127	4.544	70	10	CJIE	
BrCCCc1ccc(C2CCCC2)cc1	149494936	JZVDVYPYFDBMEF-UHFFFAOYSA-N	267.210	4.672	70	10	CJIE	
CCCCCCNc1ccc(F)c(Br)c1	159781321	MVDCZCGPMGCKII-UHFFFAOYSA-N	274.177	4.580	70	10	CJIE	
CCc1ccc([C@H](C)NCc2cc(Cl)ccc2F)cc1	160703775	DDUWNZKTIMHTJV-LBPRGKRZSA-N	291.797	4.892	70	10	CJIE	
CCCOc1ccccc1N[C@H]1CCc2ccc(C)cc21	160778754	WVAVLWKYNKOVHN-KRWDZBQOSA-N	281.399	4.883	70	10	CJIE	
CN(C)c1cccc(N[C@@H]2CCCC[C@@H]2C(C)(C)C)c1	161110331	HMZVKFQPIPMLTC-DLBZAZTESA-N	274.452	4.769	70	10	CJIE	
CCCN[C@@H](c1cc(C)ccc1OC)[C@H]1CCC[C@@H](C)C1	218025989	MELMNVHDOUHDGA-SIXWZSSISA-N	289.463	4.871	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](N)[C@@H](c2ccc(C(F)(F)F)cc2)C1	218513920	GBMJCMOWJKNDLF-YUELXQCFSA-N	285.353	4.572	70	10	CJIE	
C=CCCCCCCCN1CCC([B-](F)(F)F)CC1	2223252794	JXAKZZRVAVFCOE-UHFFFAOYSA-N	276.175	4.826	70	10	CJIE	
Cc1cc([C@@H](O)C2C3CC4CC(C3)CC2C4)cc(C)c1F	160220281	BTBXYEYVAVVHEE-KGKRJTBASA-N	288.406	4.548	70	10	CJIE	
CN[C@H](C)c1ccc(Oc2ccc(F)cc2C)c(Cl)c1	160584318	NSLOSCBWLAAINX-LLVKDONJSA-N	293.769	4.860	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](N)Cc1cccc(F)c1	160879754	JRZXKHSNFKTOMG-SFHVURJKSA-N	279.358	4.530	70	10	CJIE	
CCN[C@@H](Cc1ccc(Cl)s1)c1cc(C)cc(C)c1	160960063	VTGBZXOCZQJECB-HNNXBMFYSA-N	293.863	4.912	70	10	CJIE	
Cc1ccccc1C[C@H](O)c1c(C)ccc2ccccc12	160996639	AXCGHYKXNMUEJY-IBGZPJMESA-N	276.379	4.733	70	10	CJIE	
Cc1ccc([C@H](O)c2cc3ccc(F)cc3s2)c(C)c1	161217830	CVHCYRXCOUIDHU-KRWDZBQOSA-N	286.371	4.739	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)Cc1ccc(CC)cc1	161357966	ZBKYTNBKODTWIZ-LJQANCHMSA-N	271.448	4.660	70	10	CJIE	
Cc1ccc(C(C)C)c2c(C3CC3)c(CNC3CC3)oc12	161443866	ULTYQHPYPOEBTF-UHFFFAOYSA-N	283.415	4.994	70	10	CJIE	
CC[C@H](N[C@H]1C[C@@H](C)CC[C@@H]1C(C)C)c1ccc(O)cc1	217869528	ZXZYQHXGMQVTRO-VLQPXKRTSA-N	289.463	4.894	70	10	CJIE	
CCc1cccc(C)c1NC(=O)N/C=C/c1ccc(C)cc1	218106238	GMYILXYLLRVLHA-OUKQBFOZSA-N	294.398	4.658	70	10	CJIE	
CC(C)C[C@@H](C)O[C@@]1(CNC(C)(C)C)CCC[C@@H](C)C1	218744512	ZOFJZEHVKWMIGC-NUJGCVRESA-N	283.500	4.775	70	10	CJIE	
CC(C)=C(CSc1ccccc1F)[B-](F)(F)F	1901650541	PFLOBNCGHXFZLT-UHFFFAOYSA-N	263.088	4.641	70	10	CJIE	
CC(C)CCCCCN1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2073777117	NNXJFTQUANQSPU-KBPBESRZSA-N	276.175	4.516	70	10	CJIE	
CC1(C)CC2(CC(CN3CCC[C@H]([B-](F)(F)F)C3)C2)C1	2133915215	WCWBEEIIPNFILQ-ZDUSSCGKSA-N	288.186	4.516	70	10	CJIE	
CC(C)=C(CN(C)C[C@H]1CC[C@H]1C(C)(C)C)[B-](F)(F)F	2343226051	GMBMQTZJZQSTQS-CHWSQXEVSA-N	290.202	4.714	70	10	CJIE	
O=C(CC1=CCCCC1)c1ccc(C(F)(F)F)cc1	161020470	HIBXPCIUKSECIR-UHFFFAOYSA-N	268.278	4.779	70	10	CJIE	
O[C@H](CC1=CCCCC1)Cc1cccc2ccccc12	161073103	NQRADUWWEKTIDF-GOSISDBHSA-N	266.384	4.634	70	10	CJIE	
CCOC1(C(=O)c2cccc(F)c2F)CCC(C)(C)CC1	161247399	PRSCMFLPFRPFQZ-UHFFFAOYSA-N	296.357	4.523	70	10	CJIE	
CC(C)[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)c1cccs1	217642813	QOJPTGJBVVBOAE-QEORTHHSSA-N	289.444	4.951	70	10	CJIE	
CC[C@H](C)c1ccccc1OCCN[C@@H]1CCC[C@@H](C)C1	217908522	YRTWLUKICYTXEU-IXDOHACOSA-N	289.463	4.747	70	10	CJIE	
CCOc1ccccc1N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218057840	HSLVIIKBJHUACD-FDQGKXFDSA-N	273.420	4.712	70	10	CJIE	
CC[C@@H](N)[C@H](O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)c1ccco1	218105879	BXPVVDQZETUMRW-GRLWTPEZSA-N	293.451	4.535	70	10	CJIE	
CC(C)C(CCN1CC[C@@H]2C[C@]2([B-](F)(F)F)C1)C(C)C	1879771849	NAPRUTFOUQOLQB-HIFRSBDPSA-N	290.202	4.618	70	10	CJIE	
C=C(CCN(CCCC)c1ccccc1)[B-](F)(F)F	2044982478	SSBYUAQRKSTQLX-UHFFFAOYSA-N	270.127	4.626	70	10	CJIE	
CSc1ccc(OCC(=C(C)C)[B-](F)(F)F)cc1	2301863133	ALXBBYDQSLNRJK-UHFFFAOYSA-N	275.124	4.510	70	10	CJIE	
CC(C)(C)C1CCC(N)([C@@H]2C[C@H]2c2ccccc2)CC1	159549480	IPJPEDGJNMCADR-DHADLLTHSA-N	271.448	4.724	70	10	CJIE	
CCCOc1ccc(C(=O)CC2=CCCCC2)cc1	161021764	RDXVCBRZLOYSFC-UHFFFAOYSA-N	258.361	4.549	70	10	CJIE	
CC[C@@H](C)C[C@@H](Cc1ccc(C(C)(C)C)cc1)NC	161266235	ZLCJFZAPHVPFOI-PBHICJAKSA-N	261.453	4.551	70	10	CJIE	
CC[C@H]1CC[C@H](N)[C@@H](Cc2ccc(C(C)C)cc2)C1	217634984	RPLLGNBHORGHGQ-QGTPRVQTSA-N	259.437	4.506	70	10	CJIE	
CC[C@@H](C)[C@H](c1ccccc1)[C@@H](O)c1cc(F)ccc1F	218125498	MYHPEYVHXWBSGN-PJSAGSTRSA-N	290.353	4.828	70	10	CJIE	
COc1cc(F)ccc1N[C@H]1C[C@H](C)CC[C@@H]1C(C)C	218149362	ZAVDKKPGKPGJTL-XPKDYRNWSA-N	279.399	4.707	70	10	CJIE	
CCCN[C@@H]1CC[C@H](CCC)C[C@@H]1N(C)[C@@H](C)C(C)(C)C	218704694	QJEMLAXSBAGGSG-FJIDUMEYSA-N	296.543	4.690	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OC[C@@H]1CCC[C@@H](C)C1	2197461433	LZWLMRCFZOKOIQ-CHWSQXEVSA-N	299.165	4.509	70	10	CJIE	
Cc1cc(OCCCCCCC2CC2)ccc1[B-](F)(F)F	2234163010	ZJFRWSAOEVCIPD-UHFFFAOYSA-N	299.165	4.789	70	10	CJIE	
Cc1cc(OCCCC[C@@H]2C[C@@H]2C)c(C)c([B-](F)(F)F)c1	2280466369	OWNFVIRJTPLQSP-GXTWGEPZSA-N	299.165	4.563	70	10	CJIE	
O[C@H](CCC1CCCCC1)[C@@H]1C[C@H]1c1ccccc1	160045944	RLKJCXAROAGBAA-RCCFBDPRSA-N	258.405	4.512	70	10	CJIE	
Cc1cc(C)c(C[C@@H](O)c2cc(F)cc(Cl)c2)c(C)c1	161188549	LCTUIMPREGXDSB-QGZVFWFLSA-N	292.781	4.680	70	10	CJIE	
C[C@H]1CCc2nc(C3CCC(C(C)(C)C)CC3)[nH]c2C1	216968913	SCKKEKXIFYYJMC-HSBZDZAISA-N	274.452	4.854	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)C)C[C@@H]1Cc1c(C)cc(C)cc1C	217784920	MFFKBSIEVRUKPR-NLWGTHIKSA-N	287.491	4.815	70	10	CJIE	
CCCN[C@H](Cc1ccc(C)cc1)[C@H]1CCC[C@@H](C)C1	218028590	UZANEGVJULJJKC-NZSAHSFTSA-N	273.464	4.732	70	10	CJIE	
CC[C@@H](N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)c1ccco1	218142494	UJIJITSFSGJFEP-UICACZKSSA-N	261.409	4.535	70	10	CJIE	
CSCc1ccc(CN[C@H]2C[C@H](C)CC[C@@H]2C(C)C)o1	218162323	CHDWGGWDGWPCQH-XYPHTWIQSA-N	295.492	4.693	70	10	CJIE	
Cc1ccc([C@@H](O[C@@H]2C[C@@H](C)CC(C)(C)C2)[C@H](C)N)s1	218262921	AROXILWGBZWVQS-UJDVCPFMSA-N	295.492	4.676	70	10	CJIE	
CCC[C@@H]1CC[C@H](N)[C@@H](c2ccc(C(C)C)cc2)C1	218488155	YJZSZRORZGMPAQ-OLMNPRSZSA-N	259.437	4.821	70	10	CJIE	
CC[C@H]1CC[C@H](CN)[C@@H](Cc2ccc(C(C)C)cc2)C1	218634000	APZHMWBNDGXWHL-KFKAGJAMSA-N	273.464	4.754	70	10	CJIE	
CCCc1ccc(C23CC([B-](F)(F)F)(C2)C3)cc1	1887484497	PZAAYWZOMYTKNH-UHFFFAOYSA-N	253.096	4.662	70	10	CJIE	
Cc1ccc([C@H]2Oc3cc(Cl)ccc3N[C@H]2C)cc1	160557367	GIBCLBNDASPYDE-ZBEGNZNMSA-N	273.763	4.583	70	10	CJIE	
Fc1ccc(Cl)cc1CNc1ccc(F)c(F)c1F	160640699	YJTLRRQFHRAIOV-UHFFFAOYSA-N	289.659	4.509	70	10	CJIE	
CCOC(CC)(CC)C(=O)c1cccc(CC(C)C)c1	160652876	HWXHAGFPBRRUFO-UHFFFAOYSA-N	276.420	4.663	70	10	CJIE	
CCOC1(C(=O)c2cccc(CC(C)C)c2)CCCCC1	160812260	FIXDLCDNNSMFAR-UHFFFAOYSA-N	288.431	4.807	70	10	CJIE	
CCOc1ccc(NCc2coc3ccccc23)c(C)c1	161092698	OWPNJAZILADIOP-UHFFFAOYSA-N	281.355	4.752	70	10	CJIE	
Cc1cccc2[nH]c(-c3cc4ccc(F)cc4s3)nc12	161189022	OOMKEYYOBITTQA-UHFFFAOYSA-N	282.343	4.892	70	10	CJIE	
CNCc1oc2ccc(C(C)(C)C)cc2c1C(C)C	161366653	XCGBMKWWHLPJTP-UHFFFAOYSA-N	259.393	4.573	70	10	CJIE	
CCC[C@H]1CC[C@H](NCC)[C@@H](CC2CCCC2)C1	217715895	JHPINGOURFQODG-UAGQMJEPSA-N	251.458	4.761	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1cccc(F)c1F	218123023	WRDQIUYJHWSDOA-ZOWXZIJZSA-N	267.363	4.838	70	10	CJIE	
C[C@H]1CCC[C@@H](C)N1N[C@H](C)c1cccc2ccccc12	218429519	LRBJVWZCNFYRGL-OWCLPIDISA-N	282.431	4.668	70	10	CJIE	
CC[C@H]1CC[C@@H](CN)[C@@H](CCSc2ccccc2)C1	218656091	UUGREPCFMUYVIV-JYJNAYRXSA-N	277.477	4.570	70	10	CJIE	
CC[C@H]1CC[C@H](CN)[C@@H](Cc2csc3ccccc23)C1	218694828	JEBGCHNMHRXHTQ-RRFJBIMHSA-N	287.472	4.845	70	10	CJIE	
CCNC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1ccc(Cl)cc1	218762660	RMKIUHDJJQVVQU-XYPHTWIQSA-N	295.854	4.586	70	10	CJIE	
CCSCC[C@@H](C)NC1CC(c2ccc(Cl)cc2)C1	160034226	UQDTZTRJMWPLMR-XEBKBJJBSA-N	297.895	4.707	70	10	CJIE	
CC(C)(C)c1ccc(C[C@@H](N)CCC2CCCC2)cc1	161284298	CVKNOJMLIIQMHC-SFHVURJKSA-N	273.464	4.824	70	10	CJIE	
O=C(CCC1CCCC1)N1CCCC[C@@H](c2ccccc2)C1	217287313	BHEVSCRFUACVJE-LJQANCHMSA-N	299.458	4.753	70	10	CJIE	
C[C@@H]1CCC[C@@H](C)C1N[C@H](c1ccccc1)C1CC1	217735110	PBLSOFYUJVTINU-HBUWYVDXSA-N	257.421	4.552	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCc1cc(F)ccc1F	217862672	CTKCCCQNBXKXHP-VMGRFDJRSA-N	281.390	4.515	70	10	CJIE	
C[C@@H]1[C@@H](N[C@H](C)c2ccc(F)cc2Cl)CCC[C@H]1C	217892723	JZBFDTWKOYRLIW-JBBSTSQOSA-N	283.818	4.954	70	10	CJIE	
COc1ccc(N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1C	218143577	ZREDWAUSBHCXPK-MZMPZRCHSA-N	273.420	4.630	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](CN)[C@@H](c2cc(F)ccc2Cl)C1	218519923	CVCYDFULNRMAQN-BZPMIXESSA-N	283.818	4.594	70	10	CJIE	
Fc1cccc(Cl)c1CC12CC([B-](F)(F)F)(C1)C2	1887484523	ZQESQMHJGDSOCQ-UHFFFAOYSA-N	277.477	4.793	70	10	CJIE	
Fc1ccc([C@H]2C[C@H]2[B-](F)(F)F)cc1C(F)(F)F	2009403660	FHHCWKLMDSNCRB-HTRCEHHLSA-N	270.964	4.549	70	10	CJIE	
CCCCCCCCOCc1ccc([B-](F)(F)F)cc1	2136006959	OETLCPPHGJNRRO-UHFFFAOYSA-N	287.154	4.618	70	10	CJIE	
CCCN[C@@H](c1ccccc1)C1C2CC3CC(C2)CC1C3	160138592	OAHJRBMWAJKQPR-VMALJAOGSA-N	283.459	4.800	70	10	CJIE	
CC1CCC(CCNCc2cc(Cl)ccc2F)CC1	160829470	RBRGSRAKWSLQPN-UHFFFAOYSA-N	283.818	4.785	70	10	CJIE	
CCO[C@]1(C(=O)c2cc(C)c(C)cc2C)CCC[C@@H](C)C1	161192292	QHNMFQJYFPUJPI-BFUOFWGJSA-N	288.431	4.780	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1cc(C)ccc1F	161316249	TYQUSHPEEHSTFE-KRWDZBQOSA-N	261.384	4.675	70	10	CJIE	
CCCc1ccc([C@@H](NC)[C@@H]2CCC[C@@H](C)C2)cc1	217970269	UTVGHEKZWXPFHZ-ZTFGCOKTSA-N	259.437	4.726	70	10	CJIE	
CCCc1ccc([C@@H](NC)[C@H]2CCC[C@@H](C)C2)cc1	217970430	UTVGHEKZWXPFHZ-FHLIZLRMSA-N	259.437	4.726	70	10	CJIE	
CC[C@@H](N[C@H]1C[C@@H](C)CC(C)(C)C1)c1ccccc1	218180053	FSRXXNLZOCHMRG-HYVNUMGLSA-N	259.437	4.942	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](c2cc(F)ccc2Cl)C1	218519395	LDPCOUJTCAHDDD-DYEKYZERSA-N	283.818	4.738	70	10	CJIE	
COc1cc([C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2N)ccc1Cl	218549006	WTPMLIAIEHMMGP-GUTXKFCHSA-N	295.854	4.606	70	10	CJIE	
CCNC[C@H](O[C@H]1CCC[C@@H](C)C1)c1ccccc1Cl	218763627	OMELLQYSPNGCNT-KEYYUXOJSA-N	295.854	4.586	70	10	CJIE	
CCC1CCC(Oc2cc(C)cc([B-](F)(F)F)c2C)CC1	686553254	JFJHDPLCSPYJHR-UHFFFAOYSA-N	299.165	4.705	70	10	CJIE	
CC(C)=C(CN1CCC2(CCCCCC2)C1)[B-](F)(F)F	2340142043	OHUAAMLHVQVQLG-UHFFFAOYSA-N	288.186	4.756	70	10	CJIE	
CCCN[C@H](C1=CCCCO1)C1CCC(CCC)CC1	160043166	JEGGDPAESMYTGA-HTWSVDAQSA-N	279.468	4.655	70	10	CJIE	
Cc1oc(C)c([C@@H](O)c2cccc(C3CCC3)c2)c1C	160169004	PSQWTJMDELRCFP-SFHVURJKSA-N	270.372	4.554	70	10	CJIE	
CCN[C@H](c1c(Cl)cnn1C(C)C)[C@@H]1CC[C@H](CC)C1	160595533	VXCMQGAYQIISOU-GUTXKFCHSA-N	297.874	4.594	70	10	CJIE	
Cc1cc(C)cc(C(=O)c2c(C)ccc3ccccc23)c1	160809562	GFNYOWPMBZBWLJ-UHFFFAOYSA-N	274.363	4.996	70	10	CJIE	
CN[C@@H](Cc1cccc(C)c1)c1cc2ccc(F)cc2s1	161177603	QOGFHFHCOQQXTB-INIZCTEOSA-N	299.414	4.852	70	10	CJIE	
CC(C)c1ccccc1NC(=O)Nc1ccccc1F	217268486	RZWJODBTXDISAD-UHFFFAOYSA-N	272.323	4.593	70	10	CJIE	
Cc1c(Cl)nc(C2CC2)nc1O[C@@H]1CC[C@H](C)[C@@H](C)C1	217542695	WFAGYOMOKSJMJN-OUJBWJOFSA-N	294.826	4.519	70	10	CJIE	
CSc1ccc([C@@H](C)NC2[C@@H](C)CCC[C@@H]2C)cc1	217618267	YOPFCBPMEVXVGN-MELADBBJSA-N	277.477	4.884	70	10	CJIE	
CC[C@H](C)[C@@H](c1ccccc1)[C@@H](O)C1=CCCCC1	218137184	WIRRCMANULILRM-WBAXXEDZSA-N	258.405	4.678	70	10	CJIE	
Fc1ccc(C23CC([B-](F)(F)F)(C2)C3)cc1Cl	1887484482	HMLAKKKRVYKPNE-UHFFFAOYSA-N	263.450	4.502	70	10	CJIE	
CC(C)(C)C1CCC(N2CC[C@@](C)([B-](F)(F)F)C2)CC1	2342547058	PJJUFPPEMTWFAG-SSDMNJCBSA-N	290.202	4.905	70	10	CJIE	
CCCN[C@@H](Cc1ccc(CC)s1)CC1CCCC1	161173951	NNOYRJFHRMJCNS-OAHLLOKOSA-N	279.493	4.802	70	10	CJIE	
CCC[C@@H](O)c1ccc2c(c1)C(C)(C)CCC2(C)C	161497467	JNDTYIFOAUJWMB-MRXNPFEDSA-N	260.421	4.869	70	10	CJIE	
CCCC[C@@H](CC)c1nc2c([nH]1)C[C@@H](C(F)(F)F)CC2	216980072	FNHVZSSDPNZHIR-MNOVXSKESA-N	288.357	4.761	70	10	CJIE	
CC[C@@H](C)c1ccccc1NC(=O)NCc1ccccc1	217278242	ZUHNLBAOHVOPCR-CQSZACIVSA-N	282.387	4.522	70	10	CJIE	
CSc1cccc(NC(=O)N/C=C/c2cccc(C)c2)c1	217894759	YCMIEGZVBIFWSQ-MDZDMXLPSA-N	298.411	4.509	70	10	CJIE	
CCCCC[C@@H](C)NCCS[C@H]1CCC[C@@H](C)C1	217923049	KFHCIFHLQLCNHI-OAGGEKHMSA-N	271.514	4.857	70	10	CJIE	
CC[C@@H](C)[C@@H](c1ccccc1)[C@@H](O)c1ccc(F)cc1F	218127517	XYNGOFMQMQQGDS-UUWFMWQGSA-N	290.353	4.828	70	10	CJIE	
COc1ccc(Cl)c(N[C@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c1	218167091	FMUHZKYSHFSWTJ-KFLCQZFPSA-N	291.822	4.585	70	10	CJIE	
O=C(NC=C1CCCCC1)Nc1ccc2ccccc2c1	218687662	DODPZYPGGDLETH-UHFFFAOYSA-N	280.371	4.809	70	10	CJIE	
C=C(COc1ccc([C@H](C)CC)cc1)[B-](F)(F)F	232352052	JWWCLDATMBHQDN-SNVBAGLBSA-N	257.084	4.522	70	10	CJIE	
C=C(CCOc1ccccc1C(C)(C)C)[B-](F)(F)F	2044979696	LMDQFFNKIOEMTR-UHFFFAOYSA-N	271.111	4.696	70	10	CJIE	
CCc1ccc([C@@H]2Oc3c(Cl)cccc3N[C@@H]2C)cc1	160534846	WZMJDFBKYBFCDV-BDJLRTHQSA-N	287.790	4.837	70	10	CJIE	
CO[C@@]1(C(=O)c2cccc(CC(C)C)c2)CCC[C@H](C)C1	161023380	FWKHBDWUMHYVEC-KXBFYZLASA-N	288.431	4.663	70	10	CJIE	
Cc1ccc(C)c2c(CC(C)C)c(CNC3CC3)oc12	161236856	AHIJCQPCMXINMA-UHFFFAOYSA-N	271.404	4.500	70	10	CJIE	
CCCCCC[C@H](NCCC)[C@]1(N(C)C)CCC[C@@H](C)C1	217657177	ZRLCZFQGOAAQCH-QYZOEREBSA-N	296.543	4.836	70	10	CJIE	
Cc1nc2cc(N[C@H]3C[C@@H](C)CC[C@H]3C(C)C)ccc2[nH]1	218146886	UGSKIKNIDQYFBY-NUTKFTJISA-N	285.435	4.744	70	10	CJIE	
CC[C@H](C)[C@H](C)Oc1ccc2cc([B-](F)(F)F)ccc2c1	319571272	HFQFDCCPVWULGQ-RYUDHWBXSA-N	295.133	4.708	70	10	CJIE	
CC(C)=C(CSC[C@@H]1CC[C@@H](C)C1)[B-](F)(F)F	1901639371	JIXGFUXMGMNKQZ-GHMZBOCLSA-N	265.173	4.879	70	10	CJIE	
CC(C)=C(COCC[C@H]1CCCC12CC2)[B-](F)(F)F	2317861925	SYLIVICAVLRGLZ-GFCCVEGCSA-N	275.143	4.696	70	10	CJIE	
C[C@]1([B-](F)(F)F)CCN(C[C@H]2C[C@H]2C2CCCCC2)C1	2342493162	OCJKNVLTCVFSSP-ILXRZTDVSA-N	288.186	4.516	70	10	CJIE	
CCCNc1cc(Oc2ccc(C(F)(F)F)cc2)ccn1	159366124	GTXXWIKTTKWQRI-UHFFFAOYSA-N	296.292	4.715	70	10	CJIE	
Cc1cc([C@H](O)c2cc3cccc(Cl)c3o2)sc1C	159651186	KSVBONGWBWCKSM-CQSZACIVSA-N	292.787	4.846	70	10	CJIE	
CCNC[C@@H](Cc1ccc(C(F)(F)F)cc1)C1CCCC1	159934028	LYAJLOKGEWHEPD-OAHLLOKOSA-N	299.380	4.664	70	10	CJIE	
Cc1cc([C@@H](O)c2ccccc2C2CCC2)c(F)cc1F	160005887	JFCQRGIXWXZSEI-SFHVURJKSA-N	288.337	4.622	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)[C@@H]1C[C@@H]2CC[C@@H]1C2	160817614	NUHAMQKFVQMSSJ-FRFSOERESA-N	264.368	4.767	70	10	CJIE	
CN[C@@H](c1ccc(C)s1)c1c(C)ccc2ccccc12	160888075	YQQIBPCSPIQMPB-SFHVURJKSA-N	281.424	4.827	70	10	CJIE	
O[C@@H](CC1=CCCCC1)Cc1csc2ccccc12	161089135	OFILVGZTIGFACE-HNNXBMFYSA-N	272.413	4.695	70	10	CJIE	
CC(C)CNCc1oc2c(F)cccc2c1C(C)(C)C	161104239	DAZVXFPAEFAHPZ-UHFFFAOYSA-N	277.383	4.615	70	10	CJIE	
CC[C@@H](C)c1ccccc1OCCN[C@H]1CCC[C@@H](C)C1	217908599	YRTWLUKICYTXEU-ZACQAIPSSA-N	289.463	4.747	70	10	CJIE	
Cc1ccc(C2CC(N[C@H]3CCC[C@@H](C)[C@H]3C)C2)cc1	218065055	JWBHGXZWRZDVHU-VRVMVEOCSA-N	271.448	4.655	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)C)C[C@@H]1Oc1ccc(C(C)C)cc1	218766221	UULSFSJCVYJFMW-UHOSZYNNSA-N	289.463	4.602	70	10	CJIE	
C[C@H]1C[C@@H]1CCCCCN1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2334451266	OEWKOSLJVXOLAH-XQLPTFJDSA-N	288.186	4.516	70	10	CJIE	
COc1cc(N[C@@H]2c3ccccc3CC2(C)C)ccc1F	160131869	JDOPWKCTVBKVRA-QGZVFWFLSA-N	285.362	4.570	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1cncc2ccccc12	161363778	LLKWGAASHZHGCK-LJQANCHMSA-N	280.415	4.776	70	10	CJIE	
CCCN[C@H](Cc1cccc(Cl)c1)[C@@H]1CCCCS1	161418178	VAXJOVSZCUDPSZ-CVEARBPZSA-N	297.895	4.536	70	10	CJIE	
Cc1cc2c(n1[C@H]1CCC[C@@H](C)[C@H]1C)CC(C)(C)C[C@@H]2O	218612169	MPAGEXSNMPFOEL-CAGXHZNZSA-N	289.463	4.800	70	10	CJIE	
CCCN[C@H]1CCCC[C@H]1O[C@@H]1C[C@@H](C)CC(C)(C)C1	218751509	KJEWJZFSGUAVRI-WCXIOVBPSA-N	281.484	4.529	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@@H]1c1c(Cl)cccc1Cl	1885273573	DCKZKXNCRGVLER-WDSKDSINSA-N	253.867	4.698	70	10	CJIE	
CC(C)(C)NCC1([C@H]2C[C@@H]2c2ccccc2)CCCC1	159414805	APNGCXQHGRKXTL-SJORKVTESA-N	271.448	4.739	70	10	CJIE	
CCCCOCCCN[C@H](CC(C)(C)C)c1ccccc1	160223562	BBOBHPHLCACEND-GOSISDBHSA-N	291.479	4.960	70	10	CJIE	
CCN[C@@H](Cc1ccccc1C)c1cccc(C)c1Cl	160359559	FKYUXCAUMDTLAQ-KRWDZBQOSA-N	287.834	4.850	70	10	CJIE	
CCCN[C@H](C[C@H](C)CC(C)(C)C)C1=CCCCO1	160387998	ASNACRWARZJTAP-LSDHHAIUSA-N	267.457	4.511	70	10	CJIE	
CN[C@@H](CC1CCCCC1)c1ccc(OC(F)F)cc1	161044005	BYUFAMMYJOFKGU-HNNXBMFYSA-N	283.362	4.519	70	10	CJIE	
O[C@@H](CC1=CCCCC1)c1cccc(OC(F)(F)F)c1	161066287	CPEMRSXHUVFXAE-AWEZNQCLSA-N	286.293	4.509	70	10	CJIE	
Cc1ccc(N[C@H](C)c2ccc(F)cc2F)cc1N(C)C	161178713	CFTKBKPJEDQRDD-GFCCVEGCSA-N	290.357	4.512	70	10	CJIE	
CCCc1c(CNC2CC2)oc2c(C)c(C)cc(C)c12	161211622	XCNZJKNSLFUSRR-UHFFFAOYSA-N	271.404	4.563	70	10	CJIE	
CCNCc1oc2c(C)ccc(C(C)C)c2c1C1CC1	161442367	LEPUOKCITQYABO-UHFFFAOYSA-N	271.404	4.852	70	10	CJIE	
C[C@@H](CCNC1[C@@H](C)CCC[C@H]1C)c1ccccc1	218202535	ZVCYBPSBGCTZAM-SXVFUXMRSA-N	259.437	4.595	70	10	CJIE	
CCCN[C@@H](C)c1sc([C@H]2CCC[C@@H](C)C2)nc1C	218583224	IQLPOAJMJNIBJA-DYEKYZERSA-N	280.481	4.806	70	10	CJIE	
C[C@H]1CC[C@@H](CN)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	218625411	HYVCZMCWCUSUEX-BHYGNILZSA-N	273.464	4.538	70	10	CJIE	
C=C(CCOc1ccc(Cl)cc1Cl)[B-](F)(F)F	1978067585	MOQKTWUFCNPCGS-UHFFFAOYSA-N	283.893	4.705	70	10	CJIE	
CC(C)(C)C1(CN2CCC[C@@H]([B-](F)(F)F)C2)CCC1	2071921660	KACWKXYGDRCTJD-GFCCVEGCSA-N	276.175	4.516	70	10	CJIE	
CC(C)CNCC1([C@H]2C[C@H]2c2ccccc2)CCCCC1	159411182	HZXRCFKUAARJEG-OALUTQOASA-N	285.475	4.986	70	10	CJIE	
CCNC[C@H](Cc1ccc(C(C)C)cc1)C1CCCC1	159933346	JLCXTFWMBJAWDY-IBGZPJMESA-N	273.464	4.768	70	10	CJIE	
CCN[C@H](c1cc(C)oc1C)C1C2CC3CC(C2)CC1C3	160143906	SFKVZCSMPHAOMF-JGQSZJPNSA-N	287.447	4.619	70	10	CJIE	
CC1(C)CC[C@H](CNc2ccccc2-c2ccccc2)O1	160176355	ISZQEOLRNKADOS-MRXNPFEDSA-N	281.399	4.723	70	10	CJIE	
Clc1ccc2c(c1)O[C@H](c1cc3ccccc3o1)CN2	160578132	FJTDRCQNAXKGQL-INIZCTEOSA-N	285.730	4.632	70	10	CJIE	
CN[C@H](c1c(C)ccc2ccccc12)[C@@H](C)C(C)C	160887275	SQJBYHHJJVJMDP-KSSFIOAISA-N	255.405	4.701	70	10	CJIE	
CN(C)c1cccc(N[C@H]2CCCCc3ccccc32)c1	161121134	JRXABGUVUIRRIC-IBGZPJMESA-N	280.415	4.632	70	10	CJIE	
Cc1ccc(N[C@@H]2CCCc3ccccc32)cc1N(C)C	161149575	MADRUQQZZYEPPB-GOSISDBHSA-N	280.415	4.551	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1ccc2cccnc2c1	161379969	RBFHKEUCGMILRH-SFHVURJKSA-N	280.415	4.776	70	10	CJIE	
CN[C@H]1CC[C@@H](C)C[C@@H]1Cc1c(Cl)cccc1Cl	217631903	WSUBBJZALRTLLI-HFAKWTLXSA-N	286.246	4.560	70	10	CJIE	
CC[C@H](N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)c1ccc(O)cc1	217869404	ZXZYQHXGMQVTRO-KLIQENQMSA-N	289.463	4.894	70	10	CJIE	
CCCN[C@H](c1cc(F)ccc1Cl)[C@@H]1CC[C@@H](C)C1	218498878	JXSICEHYSPBXMI-HSMVNMDESA-N	283.818	4.956	70	10	CJIE	
Cc1ccc(C(=O)CC/C=C/c2ccccc2)cc1	218512535	WTBLZZKGJFMKIJ-WEVVVXLNSA-N	250.341	4.671	70	10	CJIE	
O=C(N/C=C/C1CCCC1)Nc1cccc(Cl)c1Cl	218583077	IXXSJLHWBCJFOC-CMDGGOBGSA-N	299.201	4.819	70	10	CJIE	
CCN[C@@H]1CCCCC[C@@H]1O[C@@H]1C[C@@H](C)CC(C)(C)C1	218752135	XHRGQLQEIKKCGN-VQHPVUNQSA-N	281.484	4.529	70	10	CJIE	
CC(C)(C)NCC1([C@@H]2C[C@@H]2c2ccccc2)CCCC1	159414672	APNGCXQHGRKXTL-IAGOWNOFSA-N	271.448	4.739	70	10	CJIE	
CCCC[C@](CC)(CNC)[C@H]1C[C@@H]1c1ccccc1	159421024	BZKYFIOVKUCYGE-FGTMMUONSA-N	259.437	4.596	70	10	CJIE	
C[C@H]1Nc2ccc(Cl)cc2O[C@@H]1c1ccc(Cl)cc1	160571487	FDNKZMIGUBXROK-PSLIRLAXSA-N	294.181	4.928	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NCC)[C@@H](Cc2ccccc2F)C1	217723368	VZFMEHCSJCJXAN-QGPMSJSTSA-N	277.427	4.563	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1Cc1cccc(Cl)c1	217759587	FTKBKDCOJXGGFF-ZMSDIMECSA-N	293.882	4.933	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1NCc1ccc([C@@H]2C[C@@H]2C)o1	217868825	BATSAXYJIMZELD-TVNOUSRMSA-N	289.463	4.953	70	10	CJIE	
CCCN[C@H](CCC)[C@H](CC)N1CCC[C@@H]2CCCC[C@H]21	218656563	BNBHUGCKEFXISS-ZSYWTGECSA-N	294.527	4.588	70	10	CJIE	
F[B-](F)(F)C=Cc1ccc(OCc2ccccc2)cc1	1911651876	CRWCLLBFPNWVGT-UHFFFAOYSA-N	277.074	4.665	70	10	CJIE	
COc1cc(N[C@H](C)c2ccc(C)c(C)c2)ccc1F	160090804	BPILZUXLUXZINR-CYBMUJFWSA-N	273.351	4.624	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)CC[C@H]1CCCCO1	160827007	RZVPAFLHJDFQHL-MRXNPFEDSA-N	282.383	4.680	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](O)C1C(C)(C)C1(C)C	160969066	USTKLKLUWJYEKE-INIZCTEOSA-N	268.400	4.864	70	10	CJIE	
CCCOc1ccc([C@@H](NCC)[C@H]2CCC[C@@H](C)C2)cc1	217995531	IEYQUVBKRDLCRO-HHXXYDBFSA-N	289.463	4.952	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](c2cc(Cl)ccc2OC)C1	218709010	FKTREXPCOUICBU-NFAWXSAZSA-N	295.854	4.607	70	10	CJIE	
CCC[C@H]1CC[C@@H](CN)[C@@H](Cc2ccc(CC)cc2)C1	218754970	SSZXODLDLWDUFG-YTQUADARSA-N	273.464	4.583	70	10	CJIE	
CC(C)CNC[C@H](CC(C)C)[C@H]1C[C@@H]1c1ccccc1	159384912	JEKVBRBDZWIKKU-IPMKNSEASA-N	273.464	4.698	70	10	CJIE	
CCCCC1CCC(N)([C@@H]2C[C@@H]2c2ccccc2)CC1	159548600	DCDBVCWDPLSLET-KNCVXQGMSA-N	271.448	4.868	70	10	CJIE	
CSc1ccc([C@H](C)Nc2cccc(N(C)C)c2)cc1	161122966	PIVPTEDYQCUQKU-ZDUSSCGKSA-N	286.444	4.648	70	10	CJIE	
Cc1ccc(F)c2oc(CNCC(C)C)c(C(C)(C)C)c12	161489567	FFQQMPSTCNKACQ-UHFFFAOYSA-N	291.410	4.923	70	10	CJIE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	217517790	YPJKDHGKALCLJJ-QYXWGXCQSA-N	263.469	4.760	70	10	CJIE	
Cc1c(Cl)nc(C2CC2)nc1N[C@H]1CC[C@@H](C)[C@@H](C)C1	217562114	JGRDRDWSYHHABO-NRUUGDAUSA-N	293.842	4.552	70	10	CJIE	
Cc1ccccc1[C@H](O)CO[C@H]1C[C@H](C)CC[C@H]1C(C)C	218548365	BFQCICYGOBEXBG-HYEGPXJVSA-N	290.447	4.506	70	10	CJIE	
CCCNC[C@H](O[C@H]1CCC[C@@H](C)C1)c1cccc(C)c1	218760076	PKFJZFJVGRYHTD-NEWSRXKRSA-N	289.463	4.631	70	10	CJIE	
COc1ccccc1SCC(=C(C)C)[B-](F)(F)F	2301864207	LFGIZKDCVPYLTA-UHFFFAOYSA-N	275.124	4.510	70	10	CJIE	
CC(C)=C(COC[C@H]1C[C@@H]1C1CCCCC1)[B-](F)(F)F	2340164419	VKPZUWZFLVHERB-ZIAGYGMSSA-N	289.170	4.942	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@@H](N)[C@@H](Cc2c(F)cccc2Cl)C1	217743298	BZWHLMPTDMSMMS-BFQNTYOBSA-N	297.845	4.811	70	10	CJIE	
Cc1nc([C@H](C)N[C@H]2C[C@@H](C)CC[C@H]2C(C)C)cs1	217889231	ZSWOAUGXNAUVOV-JURCDPSOSA-N	280.481	4.563	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCCN[C@@H]1CCCC[C@@H]1C	217892578	YPIOZBKYMSDEQH-QTMHVTGLSA-N	295.511	4.632	70	10	CJIE	
N[C@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217897019	XMGJCFBEJGSBJI-YMXDLSOXSA-N	296.241	4.604	70	10	CJIE	
CCCCCC[C@H](C)O[C@@H](c1ccccc1F)[C@@H](N)CC	218260408	WLALRODTTGJVNU-WBAXXEDZSA-N	295.442	4.980	70	10	CJIE	
CC(C)=CNC(=O)Nc1ccc(Oc2ccccc2)cc1	218379427	FMFYTYDKHRUIJU-UHFFFAOYSA-N	282.343	4.524	70	10	CJIE	
CC(C)(C)NCc1sc(C2CCCCC2)nc1C1CC1	159615293	FCTLIOFSQRLURM-UHFFFAOYSA-N	292.492	4.956	70	10	CJIE	
CC(C)(CNCc1ccccc1)COC1CCCCCC1	159753463	SARNJGWNMMEEHE-UHFFFAOYSA-N	289.463	4.542	70	10	CJIE	
CCc1cccc(C)c1NC1=NCC2(CCCC2)CS1	160207928	UJKTYOGQSCZZOV-UHFFFAOYSA-N	288.460	4.633	70	10	CJIE	
CCCC1CCC([C@H](N)c2c(Cl)cnn2CCC)CC1	160499287	LUGVRGAANGPYPV-PIMMBPRGSA-N	297.874	4.553	70	10	CJIE	
Cc1cc(F)ccc1Oc1ccc(N)cc1C(F)(F)F	160507219	VURWPIZROKBNLU-UHFFFAOYSA-N	285.240	4.527	70	10	CJIE	
C[C@H](NCc1cc(F)cc(Cl)c1)c1ccc(Cl)cc1	160812059	PMRRSHAIZXMLPQ-JTQLQIEISA-N	298.188	4.983	70	10	CJIE	
CC[C@H](C)c1ccccc1O[C@H](c1ccco1)[C@@H](N)CC	218103851	SWWIZSINPSSWQK-YEWWUXTCSA-N	287.403	4.651	70	10	CJIE	
COc1ccc(Cl)cc1[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1N	218541178	YZGFFMPFVMKBKF-KYOSRNDESA-N	295.854	4.606	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC1(CNC2CC2)CCCC1	218749526	LDKAFCZYFRISDQ-NXHRZFHOSA-N	293.495	4.529	70	10	CJIE	
C=C(CCN(C)CCCCCCCC)[B-](F)(F)F	2019955071	UBXRJAGAIRLGEF-UHFFFAOYSA-N	264.164	4.612	70	10	CJIE	
Cc1cc(O[C@@H]2CCC3(CCCC3)C2)ccc1[B-](F)(F)F	2155211290	PYCHBKBQJSCAHV-CQSZACIVSA-N	297.149	4.541	70	10	CJIE	
C=CCCCCCCCOc1cc(C)ccc1[B-](F)(F)F	2235532627	MHOMTFFLLGLRFO-UHFFFAOYSA-N	299.165	4.955	70	10	CJIE	
CC(C)(C)NCC1([C@@H]2C[C@H]2c2ccccc2)CCCC1	159414945	APNGCXQHGRKXTL-DLBZAZTESA-N	271.448	4.739	70	10	CJIE	
Cc1cccc(C(C)C)c1NC(=O)c1ccc(C(C)C)nc1	159542929	MVJFCYFBBWLMDJ-UHFFFAOYSA-N	296.414	4.889	70	10	CJIE	
CCSCC[C@H](C)N[C@@H](C)c1oc2ccccc2c1C	159978197	WADKZZTUFRFJFN-JSGCOSHPSA-N	291.460	4.924	70	10	CJIE	
Cc1ccc(F)c([C@@H](N)c2c(C)ccc3ccccc23)c1	160848166	HTBREVFZGRFURL-LJQANCHMSA-N	279.358	4.644	70	10	CJIE	
Cc1ccc(C)c(C(=O)c2cc3ccc(F)cc3s2)c1	161124362	XSLFWGABKBVRBQ-UHFFFAOYSA-N	284.355	4.888	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@H]1N[C@H](C)Cc1ccccc1	217520150	ASBCQSZCGGWBDO-QFHJOOASSA-N	273.464	4.668	70	10	CJIE	
CC[C@H]1CC[C@@H](O)[C@@H](Cc2ccc(Cl)cc2Cl)C1	218285922	PBJNQOCDKRSWAQ-JVLSTEMRSA-N	287.230	4.723	70	10	CJIE	
CCCN[C@H]1CC[C@H](CCC)C[C@@H]1Oc1ccccc1F	218769873	HVSMSNTVOKPYDC-ZVZYQTTQSA-N	293.426	4.542	70	10	CJIE	
F[B-](F)(F)/C=C/c1cccc(Oc2ccccc2)c1	2059003382	NIMFHWPTPZVNMK-MDZDMXLPSA-N	263.047	4.879	70	10	CJIE	
C=C(CN(C)C(C1CCCC1)C1CCCC1)[B-](F)(F)F	2129339683	BOFGKQIDRSHUAW-UHFFFAOYSA-N	288.186	4.610	70	10	CJIE	
CC(C)c1ccccc1CN1CCC[C@H]([B-](F)(F)F)C1	2133914870	UWACTIGOBOEMHV-AWEZNQCLSA-N	284.154	4.623	70	10	CJIE	
CCCNCc1sc(C2CCCCC2)nc1CC(C)C	159809271	PEIUCWSDYQLTFW-UHFFFAOYSA-N	294.508	4.889	70	10	CJIE	
Cc1ncsc1CC[C@H](CNC(C)(C)C)C1CCCC1	160008369	UAWIASQUBKEPSY-OAHLLOKOSA-N	294.508	4.579	70	10	CJIE	
CCO[C@@]1(C(=O)c2ccc(Cl)cc2F)CCC[C@@H](C)C1	161146350	UDZQBUZBYAZVOG-BZNIZROVSA-N	298.785	4.647	70	10	CJIE	
CCC[C@H](C)[C@H](Cc1ccc(C(C)(C)C)cc1)NCC	161289864	KLMPIUIKTHVZBG-YJBOKZPZSA-N	275.480	4.941	70	10	CJIE	
Cc1nc2cc(N[C@@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)ccc2o1	218088098	ZMMQFVUOZHJPDB-BJOOFOGMSA-N	284.403	4.763	70	10	CJIE	
C[C@H]1CCCC[C@@H]1CN[C@H](C)c1ccc(Cl)cc1	218164342	CYIXIDBZYVAZKB-GZBFAFLISA-N	265.828	4.817	70	10	CJIE	
CC[C@H](N)[C@H](S[C@H](C)CC)c1cccc(Cl)c1	218720243	YDGWEYICYDHXRA-DDTOSNHZSA-N	271.857	4.650	70	10	CJIE	
C=C(CCN(C)[C@H](C)c1ccccc1Cl)[B-](F)(F)F	2044982628	VCYSYIDWUCUULO-LLVKDONJSA-N	290.545	4.666	70	10	CJIE	
CC(C)=C(COCC1CCC(C)CC1)[B-](F)(F)F	2301855721	BNRZNKSFFYXOMX-UHFFFAOYSA-N	263.132	4.552	70	10	CJIE	
CCCC[C@H](CC)COCC(=C(C)C)[B-](F)(F)F	2301964799	NKMUMIZIVNVDRJ-LBPRGKRZSA-N	265.148	4.942	70	10	CJIE	
F[B-](F)(F)[C@H]1CCN(CCCCCCCC2CC2)C1	2319728206	WERMRUPXYBRHPL-AWEZNQCLSA-N	276.175	4.660	70	10	CJIE	
COc1cc(N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)ccc1F	160051360	PLLFAGUMWDEAKY-DUVNUKRYSA-N	279.399	4.707	70	10	CJIE	
CCc1ccc(C[C@H](N)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)s1	161205251	OHAJWDWMYVWNOW-BORJPKMPSA-N	291.504	4.787	70	10	CJIE	
Cc1cc(OCCC(C)(C)C2CC2)c(C)c([B-](F)(F)F)c1	686550090	CWHZXSRBTOATJE-UHFFFAOYSA-N	299.165	4.563	70	10	CJIE	
CC[C@H](C1CCCC1)N(C)CC(=C(C)C)[B-](F)(F)F	2317857146	BJBGNRCXQLULPO-CQSZACIVSA-N	276.175	4.610	70	10	CJIE	
CCCc1ccc([C@@H](C)N[C@@H](C)CCSCC)cc1	159972626	UTXRHSGBXOXCGH-LSDHHAIUSA-N	279.493	4.821	70	10	CJIE	
CC1(C)C([C@H](O)c2ccccc2C2CCC2)C1(C)C	160011013	LUTZRZQOYFTOIW-OAHLLOKOSA-N	258.405	4.670	70	10	CJIE	
CC(C)(C)NCC1(C[C@H]2CCC(C)(C)O2)CCCCC1	160897839	ZMIRHVOLNXCIOA-OAHLLOKOSA-N	281.484	4.673	70	10	CJIE	
Cc1ccc(F)cc1[C@@H](O)c1c(C)ccc2ccccc12	160968123	SYLPYNFQQSBRHB-LJQANCHMSA-N	280.342	4.677	70	10	CJIE	
CO[C@]1(C(=O)c2ccc(C3CCC3)cc2)CCC[C@H](C)C1	161028281	DBQGIERRXRSRDX-IFXJQAMLSA-N	286.415	4.732	70	10	CJIE	
CC[C@H]1CCC[C@@H](Nc2ccc(C)c(N(C)C)c2)CC1	161213454	ZMNWDWRHPDTCNR-JKSUJKDBSA-N	274.452	4.832	70	10	CJIE	
CN[C@H](c1ccc2c(c1)C(C)(C)CCC2(C)C)[C@@H]1C[C@@H]1C	161488144	LTRRRVKBLZUDEU-JCKWVBRZSA-N	285.475	4.952	70	10	CJIE	
CCC[C@@H]1CC[C@H](N)[C@@H](c2ccccc2C(F)(F)F)C1	218469882	SPBGMJKSMHOWNT-KYOSRNDESA-N	285.353	4.717	70	10	CJIE	
CC[C@H]1CC[C@H](CN)[C@@H](Cc2cccc3ccccc23)C1	218685137	QALZUZITXRFLQH-KFKAGJAMSA-N	281.443	4.784	70	10	CJIE	
CCNC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1ccccc1Cl	218763562	OMELLQYSPNGCNT-CPUCHLNUSA-N	295.854	4.586	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@@H]1c1cc(Cl)c(Cl)s1	1882178652	YIKNKDFNEQJRNF-IMJSIDKUSA-N	259.896	4.760	70	10	CJIE	
CC(C)=C(CN1CCCCCCCCC1)[B-](F)(F)F	2317997475	IKRSGTSRMZTFID-UHFFFAOYSA-N	276.175	4.756	70	10	CJIE	
CC(C)=C(CO[C@H]1C[C@@H](C)CC(C)(C)C1)[B-](F)(F)F	2317997685	KMPHBTASEDYMRN-NEPJUHHUSA-N	277.159	4.941	70	10	CJIE	
CCCNc1cc(Oc2cc(C)cc(C)c2C)ccn1	159376293	YCYZZGWIAXQKMZ-UHFFFAOYSA-N	270.376	4.621	70	10	CJIE	
CCNCc1sc(C2CCCCCCC2)nc1C1CC1	159447620	BMEUQQPJYUGZDY-UHFFFAOYSA-N	292.492	4.958	70	10	CJIE	
CC(C)CNC[C@@H](Cc1ccc(F)cc1F)C1CCCC1	160009960	IFIFHBPRKZRQLS-MRXNPFEDSA-N	295.417	4.559	70	10	CJIE	
CCSCC[C@H](C)Nc1ccccc1C(F)(F)F	160340262	ISDRIQZZYUDGLS-JTQLQIEISA-N	277.355	4.649	70	10	CJIE	
COc1ccc(N[C@@H]2CCc3ccc(C)cc32)cc1Cl	160752108	AMIKQIACOBMGHD-MRXNPFEDSA-N	287.790	4.756	70	10	CJIE	
CCC1CCC([C@@H](O)c2coc3ccccc23)CC1	160757723	AKVHZMRDKRPVIV-QWQCLYJRSA-N	258.361	4.683	70	10	CJIE	
CCN[C@@H](Cc1ccc(Cl)s1)c1cccc(C)c1F	160935243	RMSNUGORKIAFSQ-ZDUSSCGKSA-N	297.826	4.742	70	10	CJIE	
CCC[C@H]1CC[C@@H](N)[C@@H](Cc2ccc(C(C)C)cc2)C1	217677407	QDOPJUJBKLGXAN-KFKAGJAMSA-N	273.464	4.896	70	10	CJIE	
CCN[C@H](c1ccc(F)cc1C)[C@H]1CCC[C@@H](C)C1	217980855	JHBALLIFJAJWPO-IFIJOSMWSA-N	263.400	4.611	70	10	CJIE	
F[B-](F)(F)C=Cc1c(Cl)cccc1Br	1912120528	AUAFOYXRYZCSOD-UHFFFAOYSA-N	284.291	4.502	70	10	CJIE	
CC[C@@H](CCC(C)C)N(C)CC(=C(C)C)[B-](F)(F)F	2317997586	JEBYYELUTJJXEF-ZDUSSCGKSA-N	278.191	4.856	70	10	CJIE	
Cc1cccc(CC(=O)c2cn(C)c3cc(Cl)ccc23)c1	159621666	HWGSLNJFGZFRDH-UHFFFAOYSA-N	297.785	4.566	70	10	CJIE	
CCc1ccsc1[C@@H](O)c1cccc(C2CCC2)c1	160201234	FSAPBQFRXIKQNX-INIZCTEOSA-N	272.413	4.660	70	10	CJIE	
O[C@H](CCC1CCCC1)c1cccc(C2CCC2)c1	160210666	PPIAWJDNLRXXII-GOSISDBHSA-N	258.405	4.958	70	10	CJIE	
Cc1cccc([C@H](N)c2ccc(C(C)(C)C)cc2)c1Cl	160279546	FNYMVQIWKRMUGG-QGZVFWFLSA-N	287.834	4.994	70	10	CJIE	
Fc1ccc([C@@H]2CNc3cccc(Cl)c3O2)c(Cl)c1	160532257	VLVUJHKFIHZDTJ-ZDUSSCGKSA-N	298.144	4.678	70	10	CJIE	
Cc1ccc([C@@H]2CNc3ccc(Cl)cc3O2)cc1C	160581963	GUBAWCTVJPRDHE-INIZCTEOSA-N	273.763	4.502	70	10	CJIE	
Cc1cccc([C@H](N)c2c(C)ccc3ccccc23)c1C	160843547	FNUZEIQPTGMCFR-FQEVSTJZSA-N	275.395	4.813	70	10	CJIE	
CCCc1ccc(C(=O)C2(OCC)CCC(C)CC2)cc1	160985653	HWUJWNNMLRMRHN-UHFFFAOYSA-N	288.431	4.807	70	10	CJIE	
CCO[C@@]1(C(=O)c2ccc(Cl)cc2F)CCC[C@H](C)C1	161146135	UDZQBUZBYAZVOG-ZBEGNZNMSA-N	298.785	4.647	70	10	CJIE	
N[C@H](CC1=CCCCC1)Cc1nc(-c2ccccc2)cs1	161184303	ZKEALCACAIDKDI-MRXNPFEDSA-N	298.455	4.570	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)Cc1ccc(F)cc1F	161426590	GIVRVTVZQXVIBZ-QGZVFWFLSA-N	293.401	4.766	70	10	CJIE	
COCc1c(CNC(C)C)oc2c(C)ccc(C(C)C)c12	161443300	WGLKRRJDOGGSKL-UHFFFAOYSA-N	289.419	4.509	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](Cc2ccc(CC)s2)C1	218758674	BBURFKDYMPKBSQ-RBSFLKMASA-N	279.493	4.644	70	10	CJIE	
CCOc1ccc2oc(CNC(C)C)c(CC(C)C)c2c1	161313727	YCBCSADFOIBGPI-UHFFFAOYSA-N	289.419	4.528	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1ccc(Cl)c(OC)c1	161323426	XQWIETZGOUBSGF-MRXNPFEDSA-N	293.838	4.890	70	10	CJIE	
CCN[C@@H](c1cc(C)c(C)cc1C)[C@@H]1CCCCS1	161337278	XWGKWOOXWUQMMR-IRXDYDNUSA-N	277.477	4.548	70	10	CJIE	
CCN[C@H](c1cc(C)c(C)cc1C)[C@@H]1CCCCS1	161337417	XWGKWOOXWUQMMR-DLBZAZTESA-N	277.477	4.548	70	10	CJIE	
Cc1ccc(Cl)c2oc(CNC(C)C)c(C3CC3)c12	161418198	ZPCGHTOKLBYANE-UHFFFAOYSA-N	277.795	4.770	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc([C@H](O)C(F)(F)F)ccc21	161501418	SAPJKPOYFJTTOE-ZDUSSCGKSA-N	286.337	4.631	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1Cc1cccc(C)c1	217763281	ZIJCAINIYWXVDH-RCCFBDPRSA-N	273.464	4.588	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)C)C[C@@H]1Cc1c(F)cccc1Cl	217787798	JUQFCRLXOFAFNI-OGHNNQOOSA-N	297.845	4.682	70	10	CJIE	
C[C@@H](F)c1cc2ccc(Br)cc2s1	218331668	ADKNBGXOGZBGHY-ZCFIWIBFSA-N	259.143	4.694	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1OC[C@@H](NC)c1ccc(C)c(C)c1	218782528	GXNZYEAKPLBCOM-UHOSZYNNSA-N	289.463	4.549	70	10	CJIE	
C=C(CSCc1ccccc1Cl)[B-](F)(F)F	236129760	OUIOJUVARMSGQZ-UHFFFAOYSA-N	265.516	4.516	70	10	CJIE	
C=C(CCS[C@H]1CCC[C@H](C)C1)[B-](F)(F)F	1959654285	YDBJDYYGLWBUOP-ONGXEEELSA-N	251.146	4.631	70	10	CJIE	
C=C(CCO[C@H](CC)CCCCC)[B-](F)(F)F	1995345332	RGAMZXPXRFZNDJ-GFCCVEGCSA-N	251.121	4.695	70	10	CJIE	
CCCC[C@@H](CC)N(C)CC(=C(C)C)[B-](F)(F)F	2301866145	DVCHHVUBSCJIIU-GFCCVEGCSA-N	264.164	4.610	70	10	CJIE	
CC(C)=C(COCC[C@H]1CC[C@H]1C1CC1)[B-](F)(F)F	2319624305	XQKLGQZQTJDRIQ-OLZOCXBDSA-N	275.143	4.552	70	10	CJIE	
C[C@]1([B-](F)(F)F)CCN(CCCCCCC2CC2)C1	2319728278	WUYAJJPBKKTMFL-AWEZNQCLSA-N	276.175	4.660	70	10	CJIE	
Cc1cc([C@@H](O)c2cccc(C3CCC3)c2)ccc1Cl	160203388	ZMOKMSSXYPGZCD-SFHVURJKSA-N	286.802	4.998	70	10	CJIE	
CCCNC[C@@H]1CC[C@@H](C(C)C)C[C@@H]1c1cncc(C)c1	161037909	JIPWXQYPFAEEKZ-AOIWGVFYSA-N	288.479	4.546	70	10	CJIE	
Cc1cncc([C@@H]2CC(C)(C)CC[C@H]2CNCC(C)C)c1	161042381	RDBKOXNLBLSPFI-FUHWJXTLSA-N	288.479	4.546	70	10	CJIE	
Cc1cccc(C2CC(N[C@@H]3CCC[C@H](C)[C@H]3C)C2)c1	218065706	VIDSICUSDLBBEX-GQVDRJMXSA-N	271.448	4.655	70	10	CJIE	
CC(C)C[C@@H](C)O[C@]1(CNC(C)(C)C)CCC[C@@H](C)C1	218744567	ZOFJZEHVKWMIGC-JFIYKMOQSA-N	283.500	4.775	70	10	CJIE	
CC[C@H]1CC[C@H](CN2CCC([B-](F)(F)F)CC2)CC1	2223253934	PJUUKHVQNIJXMS-JOCQHMNTSA-N	276.175	4.516	70	10	CJIE	
CC(C)=C(CN(C)[C@H]1CCC[C@@H](C)CC1)[B-](F)(F)F	2317863052	GNCZTVXUQWZSFP-OLZOCXBDSA-N	276.175	4.610	70	10	CJIE	
CC(C)=C(CN(C)C1C2CCCC1CCC2)[B-](F)(F)F	2340312015	GJBYJIRJCYICEN-UHFFFAOYSA-N	288.186	4.610	70	10	CJIE	
CCSCC[C@@H](C)NC1CC(c2cccc(Cl)c2)C1	160042804	GEYHVXBKNAIMNS-XEBKBJJBSA-N	297.895	4.707	70	10	CJIE	
CN[C@@H](c1cc(C)c(F)cc1F)c1cccc(C)c1Cl	160319670	QLITWJSUDLMDOY-MRXNPFEDSA-N	295.760	4.544	70	10	CJIE	
CCOCc1ccccc1N[C@@H]1CCc2ccc(C)cc21	160805286	WDONQCWJEFAUKA-LJQANCHMSA-N	281.399	4.631	70	10	CJIE	
CCCN[C@H](Cc1ccc(CC)s1)CC1CCCC1	161174059	NNOYRJFHRMJCNS-HNNXBMFYSA-N	279.493	4.802	70	10	CJIE	
Cc1ccc(N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c(F)c1	218092447	FWRRBQDQUNKRHH-YLQAJVPDSA-N	261.384	4.761	70	10	CJIE	
O=C(NC=C1CCCC1)Nc1cc(Cl)cc(Cl)c1	218771376	IHEQNZTYMRRHFS-UHFFFAOYSA-N	285.174	4.573	70	10	CJIE	
CCCc1cccc([C@H](O)C2C3CC4CC(C3)CC2C4)c1	159802755	IPAXPGVZGRKSFE-VMALJAOGSA-N	284.443	4.745	70	10	CJIE	
Cc1cc(COc2ccc(F)cc2C)c2ccccc2n1	160713419	HSXKXEFGXKAAFK-UHFFFAOYSA-N	281.330	4.570	70	10	CJIE	
CC(C)[C@H](NCc1coc2ccccc12)c1cccs1	161080691	FEXSOYPJWZUDBK-KRWDZBQOSA-N	285.412	4.981	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)c1ccc2nc(C)ccc2c1	161265545	BSEHPGGKJAKERN-IBGZPJMESA-N	280.415	4.694	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCc1ccc(O)c(Cl)c1	217521718	IOMZDYZCMRAORI-INWMFGNUSA-N	295.854	4.596	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCc1c(F)cccc1F	217866004	YVBZWOWGQNFBEK-XNJGSVPQSA-N	281.390	4.515	70	10	CJIE	
CCN[C@H](Cc1cccc(Cl)c1)[C@@H]1CCC[C@@H](C)C1	217996097	OLDDNVSLFSCABL-FRFSOERESA-N	279.855	4.687	70	10	CJIE	
CC[C@@H]1CCCC[C@@H]1OC[C@@H](O)c1c(C)cc(C)cc1C	218547746	QHSKFQMLHHIXTE-KURKYZTESA-N	290.447	4.631	70	10	CJIE	
CCCN[C@@H]1CC[C@@H](CCC)C[C@@H]1Oc1cccc(F)c1	218776262	ITOVSDAZWZILGG-OLMNPRSZSA-N	293.426	4.542	70	10	CJIE	
CCCCOc1ccc(CCCCCBr)cc1	79028493	XOZFXLUBHLNILF-UHFFFAOYSA-N	299.252	4.973	70	10	CJIE	
CCCCCC(CCCCC)NCC1(CO)CCCC1	160064751	HHSKTCLPQOXERL-UHFFFAOYSA-N	283.500	4.658	70	10	CJIE	
Cc1cc([C@@H](N)c2c(C)ccc3ccccc23)sc1C	160872846	IBEYZIPZWAVSCN-GOSISDBHSA-N	281.424	4.875	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)c1cc(N)ccc1Cl	161107066	KBCRBTXTGAIPBF-UHFFFAOYSA-N	295.769	4.615	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1Cc1ccc(C)c(C)c1	217756358	HJLHAYYEJPAELQ-IPMKNSEASA-N	287.491	4.896	70	10	CJIE	
CN[C@@H](c1ccc(OC(C)C)cc1)[C@H]1CCC[C@@H](C)C1	217959492	IEJQWPCWMYYALX-HFTRVMKXSA-N	275.436	4.561	70	10	CJIE	
Cc1ccccc1[C@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)[C@@H](C)N	218265446	FCDMHMFSLBOYOS-GFOCRRMGSA-N	289.463	4.615	70	10	CJIE	
CCN[C@H]1CCCCC[C@H]1O[C@@H]1C[C@@H](C)CC(C)(C)C1	218752287	XHRGQLQEIKKCGN-WCXIOVBPSA-N	281.484	4.529	70	10	CJIE	
Fc1c(Cl)cc(/C=C/[B-](F)(F)F)cc1Cl	306199360	SNKUTSOBQSULBZ-OWOJBTEDSA-N	257.830	4.532	70	10	CJIE	
F[B-](F)(F)/C=C\c1ccc(C(F)(F)F)cc1Cl	309625224	CNKRFCFGSRFMQL-ARJAWSKDSA-N	273.392	4.759	70	10	CJIE	
C=C(CCOc1cccc2ccccc12)[B-](F)(F)F	2044979468	IOZWLDISPSYAOL-UHFFFAOYSA-N	265.063	4.552	70	10	CJIE	
CCCCCC[C@H](C)Nc1ccc(F)c(OC)c1	160022913	CZHZLXCCPLSHAX-LBPRGKRZSA-N	253.361	4.605	70	10	CJIE	
Cc1cccc([C@H](C)N[C@H](C)c2cccc(C)c2)c1	160141181	FIUIJWOQNDEYQV-IYBDPMFKSA-N	253.389	4.715	70	10	CJIE	
Cc1ccsc1[C@@H](N)c1c(C)ccc2ccccc12	160855975	YWMQQIATWJIZEV-INIZCTEOSA-N	267.397	4.566	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](O)c1cccc(F)c1F	160976392	UXPZAQCHWCZJSN-GOSISDBHSA-N	284.305	4.508	70	10	CJIE	
Cc1ccc([C@@H](C)NCc2coc3ccccc23)cc1F	161109294	WKGCRYXWBQLIRY-CYBMUJFWSA-N	283.346	4.731	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)Cc1ccc(F)cc1Cl	161249777	HVDCHTZBYYWSDR-HNNXBMFYSA-N	281.802	4.500	70	10	CJIE	
CCCOc1ccc2oc(CNC3CC3)c(C(C)C)c2c1	161322404	XGYFWYAIEPUVQS-UHFFFAOYSA-N	287.403	4.597	70	10	CJIE	
CC(C)CNCCCCCCOC/C=C\c1ccccc1	217133685	OJVNSCUWGRFCLW-RAXLEYEMSA-N	289.463	4.522	70	10	CJIE	
C[C@H]1CCC[C@H]([C@@H](O)c2cccc3ccccc23)C1	217911096	PIKUBOFGNSUQBR-DHSIGJKJSA-N	254.373	4.700	70	10	CJIE	
C[C@H]1CCC[C@@H]([C@@H](N)c2cc(Cl)ccc2Cl)C1	217946154	VPRVMWGCLJBCQH-IMSIIYSGSA-N	272.219	4.820	70	10	CJIE	
C[C@H](N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)c1ccsc1	218145186	ZGBDPIBQQNSKSW-ATVPRXPUSA-N	263.450	4.614	70	10	CJIE	
C[C@H]1CCCC[C@@H]1CN[C@H](c1ccc(F)cc1)C1CC1	218152732	SXZJHAZJVXJCAQ-XCRHUMRWSA-N	275.411	4.693	70	10	CJIE	
CCNC[C@@]1(O[C@@H]2C[C@@H](C)CC(C)(C)C2)CCC[C@H](C)C1	218753928	ICPRFPWLISHQDZ-DODZYUBVSA-N	295.511	4.776	70	10	CJIE	
CCCNC[C@H](CCSc1ccccc1)C1CCCC1	159952894	BQPHGZQFCNWNMZ-KRWDZBQOSA-N	291.504	4.975	70	10	CJIE	
C[C@H](N[C@H](C)c1ccc(Cl)cc1)[C@H]1C[C@H]2C=C[C@H]1C2	159968806	IKQABFZMPZCZEC-DKMUHFRHSA-N	275.823	4.591	70	10	CJIE	
CO[C@H](c1nc(Cl)cc(C(C)(C)C)n1)C1CCCCC1	160373759	ABGKUDYIRSHDML-AWEZNQCLSA-N	296.842	4.695	70	10	CJIE	
CCN[C@@H](Cc1ccc(CC)s1)C[C@@H](C)C(C)(C)C	161103467	MMHVWKDBXOKNKT-ZIAGYGMSSA-N	281.509	4.903	70	10	CJIE	
CCCN[C@@H](Cc1ccc(CC)s1)[C@@H]1CCCCS1	161451740	WXMSSYACHDUIEK-HOTGVXAUSA-N	297.533	4.507	70	10	CJIE	
CC1CCC(NCCO[C@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1	217899066	JZBZDJRTCBLQML-ZBABMDLNSA-N	295.511	4.632	70	10	CJIE	
CCOc1ccccc1N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218058016	HSLVIIKBJHUACD-RPVQJOFSSA-N	273.420	4.712	70	10	CJIE	
CC(C)[C@H]1CC[C@H](CN)[C@@H](Cc2ccccc2Cl)C1	218776139	LSMIITNSWDBGFG-NUEKZKHPSA-N	279.855	4.530	70	10	CJIE	
Fc1ccc(/C=C\[B-](F)(F)F)c(Cl)c1Cl	382630640	ARPNGQQBUVVOTG-ARJAWSKDSA-N	257.830	4.532	70	10	CJIE	
Cc1cc(F)c([C@@H]2C[C@@H]2[B-](F)(F)F)c(Br)c1	1975298840	OLECZZOFASKTEK-RQJHMYQMSA-N	295.890	4.602	70	10	CJIE	
CC1(C)CC[C@@H](CCN2CCC([B-](F)(F)F)CC2)C1	2321609310	XTAKOQCMRZPSOA-LBPRGKRZSA-N	276.175	4.516	70	10	CJIE	
CCO[C@]1(C(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)CCC[C@@H](C)C1	161216682	IJDXQTAJBZUAAX-ORDFZIBCSA-N	280.452	4.613	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1cc(F)ccc1F	161357356	JFIXNJZRYPUIDI-MRXNPFEDSA-N	265.347	4.506	70	10	CJIE	
CC[C@H]1CC[C@H](NC)[C@@H](Cc2cccc3ccccc23)C1	217655650	YAWJNZBHBQNUBE-CVAIRZPRSA-N	281.443	4.797	70	10	CJIE	
c1ccc([C@@H]2C[C@H]2N[C@H]2CCCCc3ccccc32)cc1	218171651	XAVFUWMDSWFKMP-SLFFLAALSA-N	277.411	4.600	70	10	CJIE	
CCC[C@H]1CC[C@H](O)[C@H](O[C@@H]2C[C@@H](C)CC(C)(C)C2)C1	218553990	ORLNILKQNYLEOP-BPKGMFCQSA-N	282.468	4.548	70	10	CJIE	
Cc1cc(C)cc(CC23CC([B-](F)(F)F)(C2)C3)c1	1887484420	CCJPGGGFRYKTNE-UHFFFAOYSA-N	253.096	4.618	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1O[C@H]1CCC[C@@H](CC)C1	2197460481	AHDLAEZVMJOEBS-DOMZBBRYSA-N	299.165	4.651	70	10	CJIE	
CC(C)=C(CN1CC[C@@H](C)c2ccccc21)[B-](F)(F)F	2340132041	JSIRFQSXIBVESX-GFCCVEGCSA-N	282.138	4.723	70	10	CJIE	
CC[C@@H]1CCC[C@H](N[C@H](C)c2ccc(F)cc2)CC1	159838589	IXACZOQCWDESOF-CPUCHLNUSA-N	263.400	4.835	70	10	CJIE	
CCCCCC[C@@H](C)Nc1ccc(F)c(OC)c1	160022786	CZHZLXCCPLSHAX-GFCCVEGCSA-N	253.361	4.605	70	10	CJIE	
COc1cc(N[C@H](C)c2ccc(F)cc2Cl)ccc1F	160142559	XGHIHWHGABGDCR-SECBINFHSA-N	297.732	4.800	70	10	CJIE	
CCCCOCCCN[C@H]1CCC(C)(C)c2ccccc21	160213114	VTMWYGIUTIBFHS-SFHVURJKSA-N	289.463	4.596	70	10	CJIE	
CCN[C@@H](c1occc1C)c1c(C)ccc2ccccc12	160927163	FBVMQIIKXYBIGZ-GOSISDBHSA-N	279.383	4.749	70	10	CJIE	
CCOC1(C(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)CCC(C)CC1	160997988	QZPDABJWTICPDV-HNCZQISISA-N	280.452	4.613	70	10	CJIE	
COc1cccc2ccc(CNc3cccc(Cl)c3)nc12	161129998	POWJRHRWSAVZPJ-UHFFFAOYSA-N	298.773	4.509	70	10	CJIE	
Cc1cc(C)cc([C@@H](N)Cc2ccc(C(C)(C)C)cc2)c1	161243668	RGNLETAXCPSEDI-IBGZPJMESA-N	281.443	4.843	70	10	CJIE	
CCCN[C@@H](CCCC(F)(F)F)CC1=CCCCC1	161415247	FLPILYJJIKSYOX-AWEZNQCLSA-N	277.374	4.978	70	10	CJIE	
CCCN[C@H]([C@@H]1CCCCS1)[C@H]1CCCC[C@@H]1CC	161424375	MQXYHPPNBXRSHH-QAETUUGQSA-N	283.525	4.857	70	10	CJIE	
CCC[C@H]1CC[C@H](N)[C@@H](Cc2c(F)cccc2Cl)C1	217685023	OXZKUGLRLMJGAW-OZVIIMIRSA-N	283.818	4.565	70	10	CJIE	
Cc1ccc(F)c(N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1	218094327	QFJLVEPFHXRALS-SRCQZFHVSA-N	261.384	4.761	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC1(CN)CCCCCC1	218750355	WJMZKCRUBWOQHO-ULQDDVLXSA-N	281.484	4.516	70	10	CJIE	
C/C=C/CCCOc1ccc2cc([B-](F)(F)F)ccc2c1	2179731267	ZTLCJZFANVCGKQ-NSCUHMNNSA-N	293.117	4.629	70	10	CJIE	
CCN[C@H](CC1CCCCC1)c1ccc(C)c(OC)c1	161027106	QCAGDVGDRQOGSV-QGZVFWFLSA-N	275.436	4.625	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)Cc1ccccc1C	161438029	FDUCWKORHBMQPD-IBGZPJMESA-N	271.448	4.796	70	10	CJIE	
C[C@H]1CCC[C@@H]([C@@H](O)Cc2ccc(Cl)c(Cl)c2)C1	217916704	SLNWBLGIKOAVHS-NVBFEUDRSA-N	287.230	4.723	70	10	CJIE	
CCCCCc1ccc(N[C@@H]2C[C@H]3CC=C[C@H]32)cc1	217936117	VIDIXLFMCPWIOH-KBAYOESNSA-N	255.405	4.796	70	10	CJIE	
CN[C@@H](Cc1c(C)cc(C)cc1C)[C@H]1CCC[C@@H](C)C1	217972516	KMEPFVFFFKSHRO-FMEYXAORSA-N	273.464	4.569	70	10	CJIE	
CCCN[C@H](c1cccc(F)c1)[C@@H]1CCC[C@@H](C)C1	218031654	FDRNEUSBWQLGSV-CPUCHLNUSA-N	263.400	4.693	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@@H](O)[C@@H](Cc2ccc(F)cc2Cl)C1	218304793	WZXFSWPIRZXZEK-WOSRLPQWSA-N	298.829	4.845	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@H]1c1ccc(Cl)c(Br)c1	1885274872	PLYZYYFMRMDKCY-NKWVEPMBSA-N	298.318	4.807	70	10	CJIE	
C[C@@H](CN1CCC[C@@H]([B-](F)(F)F)C1)C1CCCCC1	2070265394	XKNWGQBMLQQTSR-GXTWGEPZSA-N	276.175	4.516	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCCN(Cc2ccc(C3CCC3)cc2)C1	2240359043	ZUYXQFJCTWKVHH-MRXNPFEDSA-N	296.165	4.768	70	10	CJIE	
Cc1cc(C)c(N[C@@H]2C[C@@H]3CC[C@@H]2C3)c(Br)c1	159563056	CPQSMMTUYNTWGU-YRGRVCCFSA-N	294.236	4.666	70	10	CJIE	
CCCN[C@H](c1ccco1)c1c(C)ccc2ccccc12	160937149	KJCWGALLPVEXIQ-LJQANCHMSA-N	279.383	4.830	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCc1ccc([C@@H]2C[C@@H]2C)o1	217868643	BATSAXYJIMZELD-PEZLKRJXSA-N	289.463	4.953	70	10	CJIE	
Cc1nc([C@H](C)N[C@H]2C[C@H](C)CC[C@H]2C(C)C)cs1	217889147	ZSWOAUGXNAUVOV-DHMWGJHJSA-N	280.481	4.563	70	10	CJIE	
C[C@H]1CCC[C@@H](C)C1N[C@H](C)c1ccccc1OC(F)F	217992297	MJMGNKJQRXSHTC-RYFSFTGQSA-N	297.389	4.763	70	10	CJIE	
C=C(CCOc1ccc2ccccc2c1)[B-](F)(F)F	2044980716	XVMWXSOXLVBWRH-UHFFFAOYSA-N	265.063	4.552	70	10	CJIE	
CN[C@H](CC1CCCCC1)C1C2CC3CC(C2)CC1C3	161064594	PHNBWXXMNXRIJR-OIAUPDTQSA-N	275.480	4.617	70	10	CJIE	
CCCc1ccc(C(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1	161177363	GLNRKFSOPQNWOE-DNVCBOLYSA-N	288.431	4.807	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)c1ccc(C)cc1	161425818	PTSQEXFPQVMUGS-SFHVURJKSA-N	257.421	4.926	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217867310	CKBMRLUNNXSEHM-PWSANPOYSA-N	289.507	4.862	70	10	CJIE	
C[C@@H]1C[C@@H](O[C@H](C)CNC2CCCCC2)CC(C)(C)C1	217912016	JPJKRJKCLNNTQV-BFYDXBDKSA-N	281.484	4.529	70	10	CJIE	
Cc1ccc(NC(=O)N/C=C/C2CCCCC2)cc1Cl	218623087	PMFCTSCTWBFJLL-MDZDMXLPSA-N	292.810	4.864	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](Cc2cc(C)cc(C)c2)C1	218749911	RUVZUFUTMSKNKD-NZSAHSFTSA-N	273.464	4.637	70	10	CJIE	
CCCN[C@H]1CCCCC[C@@H]1O[C@@H]1C[C@@H](C)CC(C)(C)C1	218752390	CXWXKULJICFZQS-BDXSIMOUSA-N	295.511	4.919	70	10	CJIE	
CC[C@@H]1CCC[C@H](OCc2cccc([B-](F)(F)F)c2C)C1	2283572674	FPDMCXNZAMLSLG-HIFRSBDPSA-N	299.165	4.535	70	10	CJIE	
CC1(C)CC[C@@H](CCN2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)C1	2344872615	FAVDLIHIYCGEBO-GUTXKFCHSA-N	288.186	4.516	70	10	CJIE	
CC[C@H]1CC[C@H](c2nc(C3CC3)c(CNC3CC3)s2)C1	159591021	KNSRPUPKTNSNQQ-AAEUAGOBSA-N	290.476	4.566	70	10	CJIE	
CCCSCc1nc(C2CC2)c(CNC(C)(C)C)s1	159631977	CAPUURCJQDMJBO-UHFFFAOYSA-N	298.521	4.552	70	10	CJIE	
Cc1cc(F)ccc1Oc1ccc(CNC(C)C)cc1C	160601934	ZGIKFLHTADAXRX-UHFFFAOYSA-N	287.378	4.733	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](Nc1cccc3cccnc13)CC2	160752493	VAUBZDFQXHWUAQ-KRWDZBQOSA-N	274.367	4.643	70	10	CJIE	
C[C@@H](NCCCC1CC1)c1ccccc1C(F)(F)F	161404851	QTWKNEQIMUZGIC-LLVKDONJSA-N	271.326	4.546	70	10	CJIE	
Cc1ccc(Cl)c2c(C(C)C)c(CNC3CC3)oc12	161496799	FRMVHSAGDADIRE-UHFFFAOYSA-N	277.795	4.770	70	10	CJIE	
c1cc2c(s1)CCC[C@H]2N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	217577336	WQGVYUSEDKFYMM-FTHFUPPISA-N	287.472	4.540	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NC)[C@@H](Cc2c(C)cc(C)cc2C)C1	217698864	PKFUPJPZWKRXTO-QWFCFKBJSA-N	287.491	4.959	70	10	CJIE	
CCCC1(COc2ccc([B-](F)(F)F)cc2CC)CCC1	2197480347	GULCCQKXGPKKMN-UHFFFAOYSA-N	299.165	4.653	70	10	CJIE	
CCCC[C@@H](CC)C[C@@H](CNCCOC)C1CCCC1	160029470	JHEWZWINMZSPCN-AEFFLSMTSA-N	283.500	4.635	70	10	CJIE	
CNCc1oc2c(C(C)(C)C)cc(C)cc2c1C(C)C	161175388	XXDOPHYWIBSZNB-UHFFFAOYSA-N	273.420	4.882	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1ccc(OC)cc1C	161377406	QJNOTMVDZFLDDV-SFHVURJKSA-N	273.420	4.545	70	10	CJIE	
Cc1ncsc1[C@H](C)N[C@H]1C[C@@H](C)CC[C@@H]1C(C)C	218161228	ZKMHIVJDNSXORR-MHEUCROKSA-N	280.481	4.563	70	10	CJIE	
C=C(CN(C)CC1CC(C)(C)CC(C)(C)C1)[B-](F)(F)F	2138410589	AKJROHMPKFPXCJ-UHFFFAOYSA-N	290.202	4.714	70	10	CJIE	
CCC(=C[B-](F)(F)F)c1ccc(C(F)(F)F)cc1	2303738485	QYUMFXZAVWUXMA-UHFFFAOYSA-N	267.001	4.885	70	10	CJIE	
CCN(C(=O)N/C=C/c1ccccc1C)c1cccc(C)c1	217693095	DMBSSHQNGCIPBW-OUKQBFOZSA-N	294.398	4.510	70	10	CJIE	
CCC[C@H]1CC[C@H](NCC)[C@@H](Cc2ccc(C)cc2)C1	217728291	YLTUVBKNFWCGMJ-UHOSZYNNSA-N	273.464	4.732	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1NCc1cc(F)ccc1F	217862750	CTKCCCQNBXKXHP-NUTKFTJISA-N	281.390	4.515	70	10	CJIE	
O[C@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217871625	MHGSRTRVDNGNIG-YMXDLSOXSA-N	297.225	4.637	70	10	CJIE	
O=C(NC=C1CCCCC1)Nc1ccc(C(F)(F)F)cc1	218698098	IQGKVVQNIHHKRF-UHFFFAOYSA-N	298.308	4.675	70	10	CJIE	
CC[C@H](C)[C@H](C)Oc1ccc2ccccc2c1[B-](F)(F)F	319646324	QYJBSKGPOWETRA-RYUDHWBXSA-N	295.133	4.708	70	10	CJIE	
Cc1cc(O[C@H]2C=CCCCCC2)c(C)c([B-](F)(F)F)c1	686558512	QRECCXYLIPMBJD-AWEZNQCLSA-N	297.149	4.626	70	10	CJIE	
CCCCCCCCC[C@H](CS(=O)(=O)Cl)C1CC1	1951869135	NMEMRZFSBKHHRT-CQSZACIVSA-N	294.888	4.722	70	10	CJIE	
C=C(CCOc1ccc(CCCC)cc1)[B-](F)(F)F	2044980655	WZGGTGIRQXAOJX-UHFFFAOYSA-N	271.111	4.741	70	10	CJIE	
CC(C)[C@H](C)COc1ccc2ccccc2c1[B-](F)(F)F	2189283271	WQWUMJHTEACPKP-GFCCVEGCSA-N	295.133	4.565	70	10	CJIE	
CC(C)NCc1sc(CSC(C)(C)C)nc1C1CC1	159541016	KKXAVYPYWUDMPR-UHFFFAOYSA-N	298.521	4.550	70	10	CJIE	
Cc1oc(C)c([C@H](O)c2ccccc2C2CCC2)c1C	160004430	OEXJFRFIEJZKJP-GOSISDBHSA-N	270.372	4.554	70	10	CJIE	
CCCCCC(C)(C)CNc1nnc(C(F)(F)F)s1	160342306	DQNOAASKULVDQZ-UHFFFAOYSA-N	295.374	4.575	70	10	CJIE	
Cc1ccc([C@@H](C)Nc2cccc(N(C)C)c2)c(C)c1	161090614	OWAJZOMTHLOARP-OAHLLOKOSA-N	268.404	4.543	70	10	CJIE	
Cc1cc([C@@H](N)c2cc3ccc(F)cc3s2)ccc1F	161154217	GPZJIOLYURUMHR-MRXNPFEDSA-N	289.350	4.536	70	10	CJIE	
CC[C@H](C)c1cccc2c(CC(C)C)c(CNC)oc12	161378642	TVYLERXVZSFPLP-ZDUSSCGKSA-N	273.420	4.864	70	10	CJIE	
CCNCc1oc2c(Cl)cc(C)cc2c1CC(C)C	161456982	BNDZBAHBBNXJBM-UHFFFAOYSA-N	279.811	4.703	70	10	CJIE	
CCN[C@@H]1CC[C@@H](CC)C[C@@H]1Cc1ccc(Cl)cc1	217671454	IXZOEHIKWNHNNG-FRFSOERESA-N	279.855	4.687	70	10	CJIE	
C[C@H]1CCCC[C@H]1CN[C@H](C)c1ccc(F)c(Cl)c1	218156599	HGCCQRTYJWZRRF-SCRDCRAPSA-N	283.818	4.956	70	10	CJIE	
CC[C@@H]1CC[C@H](CNC)[C@@H](c2cc(F)ccc2Cl)C1	218522832	XTTMKGLNGREDNY-BZPMIXESSA-N	283.818	4.608	70	10	CJIE	
Cc1cc(C)c(NC(=O)N/C=C/C(C)(C)C)c(Cl)c1	218571378	WKEOZFWGXNSMHN-VOTSOKGWSA-N	280.799	4.638	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl	1885275873	YDVGYWOVRKDGCO-RQJHMYQMSA-N	253.867	4.698	70	10	CJIE	
CC(C)=C(CSc1ncccc1Cl)[B-](F)(F)F	1901653053	XSKQMEHSVMVIHE-UHFFFAOYSA-N	280.531	4.550	70	10	CJIE	
CCCC[C@@H](CC)CN1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2311108897	NJZHRAPBDJDLAQ-MCIONIFRSA-N	276.175	4.516	70	10	CJIE	
Cc1cc(C)cc(C(=O)c2cn(C)c3cc(Cl)ccc23)c1	159610378	PCWNJDKMOBVWET-UHFFFAOYSA-N	297.785	4.680	70	10	CJIE	
CCCOc1ccccc1NCc1ccc(Cl)cc1F	160699925	JBBOGNRWUJJTCQ-UHFFFAOYSA-N	293.769	4.880	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)Cc1cc(F)ccc1F	161390745	VTDFPXZRKCIJIG-QGZVFWFLSA-N	293.401	4.766	70	10	CJIE	
CCOc1ccc(-c2ccc(O)c(Cl)c2)cc1OCC	161429622	NHEJIHQZGSSKAY-UHFFFAOYSA-N	292.762	4.510	70	10	CJIE	
CCc1cccc(CC)c1NC(=O)N/C=C/c1ccccc1	217623680	LAVHQVFYAHJCOE-BUHFOSPRSA-N	294.398	4.604	70	10	CJIE	
C[C@@H]1CCC[C@@H]([C@@H](O)c2ccc3ccccc3c2)C1	217911859	KWGSZLKEKIWVCM-MZMPZRCHSA-N	254.373	4.700	70	10	CJIE	
C[C@H]1CCC[C@H]([C@@H](O)Cc2ccc(Cl)c(Cl)c2)C1	217916564	SLNWBLGIKOAVHS-WBIUFABUSA-N	287.230	4.723	70	10	CJIE	
Cc1cccc(C(C)C)c1NC(=O)NC=C1CCCC1	218754336	XETTZXNXFPENCH-UHFFFAOYSA-N	272.392	4.698	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@H]1c1cccc(Cl)c1Br	1885274166	JHJMUKZWVXSMHK-NKWVEPMBSA-N	298.318	4.807	70	10	CJIE	
CC(C)(C)C1CCC(N)([C@H]2C[C@H]2c2ccccc2)CC1	159549629	IPJPEDGJNMCADR-VIHIWDAPSA-N	271.448	4.724	70	10	CJIE	
CC(C)Cc1cccc([C@H](O)[C@H]2C[C@@H]2c2ccccc2)c1	159847799	ICIQYQWDOGTGCL-AABGKKOBSA-N	280.411	4.722	70	10	CJIE	
CCCN[C@H](C1=CCCCO1)c1ccc(C(C)C)cc1	159959253	FZAPNELSKSLHND-SFHVURJKSA-N	273.420	4.545	70	10	CJIE	
CCCCc1nc(CC(C)C)c(CNC(C)(C)C)s1	159992645	YAHCHTKVLSHDAF-UHFFFAOYSA-N	282.497	4.572	70	10	CJIE	
C[C@H]1Nc2ccc(Cl)cc2O[C@H]1c1cccc(Cl)c1	160565757	MPIAYXAHPVOXHM-RFAUZJTJSA-N	294.181	4.928	70	10	CJIE	
CCN[C@H](CC1CC1)c1c(C)ccc2ccccc12	160918495	OAVDEWVJVOOLMH-QGZVFWFLSA-N	253.389	4.599	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1ccccc1CN(C)C	217606960	VXCWDUTZDLWSHN-AYBZRNKSSA-N	288.479	4.621	70	10	CJIE	
CC(C)[C@@H]1CCC(=O)[C@@H](C/C=C\c2ccccc2)C1	217621314	IKJGSIQXBRNWJW-NWTSWCFDSA-N	256.389	4.731	70	10	CJIE	
CCC[C@@H]1CC[C@@H](N)[C@@H](Cc2ccc(C(F)(F)F)cc2)C1	217686479	SDWJMMLBROYJAE-XNRPHZJLSA-N	299.380	4.792	70	10	CJIE	
CCC[C@@H]1CC[C@H](NCC)[C@@H](Cc2ccc(CC)cc2)C1	217716803	PMRKXWRDGNDNSA-RLLQIKCJSA-N	287.491	4.986	70	10	CJIE	
Cc1cccc(NC(=O)N/C=C/C2CCCCC2)c1C	218633927	ZONJAXXJGQLDGS-VAWYXSNFSA-N	272.392	4.519	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1OC[C@@H](C)CC(C)(C)C	709116362	VJULQYPFNRMPLW-NSHDSACASA-N	287.154	4.501	70	10	CJIE	
CCCC[C@](CC)(CNCC)[C@H]1C[C@@H]1c1ccccc1	159421548	XPBPRCVWMRYYJE-CEXWTWQISA-N	273.464	4.986	70	10	CJIE	
CCc1ccc([C@@H]2Oc3cc(Cl)ccc3N[C@@H]2C)cc1	160564003	XWEATRABHUJLSG-PIGZYNQJSA-N	287.790	4.837	70	10	CJIE	
Cc1ccc([C@@H](C)Nc2ccc(C)c(N(C)C)c2)cc1C	161143224	YXSNYUFRVBJNES-MRXNPFEDSA-N	282.431	4.851	70	10	CJIE	
CCC[C@@H]1CC[C@H](NCC)[C@@H](CCOc2ccccc2)C1	217718129	XJFQURZEMJCBSI-AOIWGVFYSA-N	289.463	4.650	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@H](S[C@@H]2CCC[C@@H](C)C2)C1	217855450	CZUURBQDFDWYEX-NQNKBUKLSA-N	283.525	4.842	70	10	CJIE	
CCN[C@@H](C1=CCCC1)[C@H](c1ccccc1)[C@@H](C)CC	217885067	KQXNUHBWVYOJSB-SNRMKQJTSA-N	271.448	4.905	70	10	CJIE	
Cc1ccccc1[C@H](O)CO[C@H]1C[C@@H](C)CC[C@@H]1C(C)C	218548526	BFQCICYGOBEXBG-WLWJZTKJSA-N	290.447	4.506	70	10	CJIE	
CC[C@H](O[C@H]1C[C@@H](C)CC(C)(C)C1)[C@@H](O)c1ccccc1	218554279	NBUTZVRDSLPPNA-UBDQQSCGSA-N	290.447	4.730	70	10	CJIE	
O=C(NC=C1CCCCC1)Nc1cccc(Cl)c1Cl	218665447	GWRIDJPUSAOKAU-UHFFFAOYSA-N	299.201	4.963	70	10	CJIE	
Cc1ccc(OCC2C[C@H](C)C[C@@H](C)C2)c([B-](F)(F)F)c1	2149169298	GVQIDVGZIDZKSF-CHWSQXEVSA-N	299.165	4.501	70	10	CJIE	
C[C@@]1([B-](F)(F)F)CCN(C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2342526127	JJEYQXAEMTWCHS-LXTVHRRPSA-N	288.186	4.516	70	10	CJIE	
CCC(C)(C)c1ccc(Oc2ccnc(NC)c2)cc1	159372287	MRPPZDDBLDLACR-UHFFFAOYSA-N	270.376	4.603	70	10	CJIE	
CCC[C@H]1CCC[C@](O)(c2cccc3[nH]ccc23)CC1	159451525	HXJWUCHIJXFALB-KBXCAEBGSA-N	271.404	4.736	70	10	CJIE	
CC(C)CNC[C@H](C1CCCC1)[C@H]1C[C@@H]1c1ccccc1	159494504	YLHWKVCXODFEIK-HSALFYBXSA-N	285.475	4.842	70	10	CJIE	
CCC[C@H]1CC[C@@H](NC)[C@@H](CCCc2ccccc2)C1	217703930	MVDHBKSVQJOFGN-GBESFXJTSA-N	273.464	4.814	70	10	CJIE	
C[C@H]1CCC[C@@H](C)N1N[C@H](C)CC(C)(C)c1ccccc1	218420438	ZJZXMNIOHHQKKB-ZACQAIPSSA-N	288.479	4.510	70	10	CJIE	
CC(C)=C(CN(C)[C@H]1CCCCC1(C)C)[B-](F)(F)F	2317844304	TUQWGVRMHYNDPZ-ZDUSSCGKSA-N	276.175	4.610	70	10	CJIE	
CC(=O)c1ccc(F)c(-c2cscc2Br)c1	159746479	GGAAOSJWKBECLZ-UHFFFAOYSA-N	299.164	4.519	70	10	CJIE	
CCN[C@@H](C1=CCCCCC1)C1C2CC3CC(C2)CC1C3	160145323	HKIJKHXTLOCNRJ-VMALJAOGSA-N	287.491	4.927	70	10	CJIE	
Cc1cc(C)c2oc(CNCC(C)C)c(CC(C)C)c2c1	161387773	RWRSUIKHPWICAL-UHFFFAOYSA-N	287.447	4.994	70	10	CJIE	
CCC[C@H]1CC[C@@H](NCC)[C@@H](Cc2cccc(F)c2F)C1	217714189	VMTFNTTUFXIZNC-YSVLISHTSA-N	295.417	4.702	70	10	CJIE	
Cc1cccc([C@]2(O)C[C@H](C)CC[C@H]2C(C)C)c1C	217867487	FOSJOSAPTPIPDX-SKDZVZGDSA-N	260.421	4.583	70	10	CJIE	
CCCN[C@H](CCOc1ccccc1)[C@H]1CCC[C@@H](C)C1	218023339	RDOPZXTUSOGROQ-ZIFCJYIRSA-N	289.463	4.650	70	10	CJIE	
Cc1c(F)cccc1N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218168143	ZROKXRXDDRKPMX-SRCQZFHVSA-N	261.384	4.761	70	10	CJIE	
CC/C=C/NC(=O)Nc1ccc(Oc2ccccc2)cc1	218464318	GLLHDWSRXCKBNZ-QLKAYGNNSA-N	282.343	4.524	70	10	CJIE	
F[B-](F)(F)/C=C/c1cccc(Cl)c1Br	1882185610	QBVKKAGCGBYQJT-SNAWJCMRSA-N	284.291	4.502	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OC[C@H]1CCC[C@@H](C)C1	2197461434	LZWLMRCFZOKOIQ-OLZOCXBDSA-N	299.165	4.509	70	10	CJIE	
CC(C)=C(CN(C)C[C@@H]1CC12CCCCC2)[B-](F)(F)F	2340332393	WREVVRDVGONACH-ZDUSSCGKSA-N	288.186	4.612	70	10	CJIE	
CCCCOCCCNCC1CCC(C(C)(C)C)CC1	160253769	OVKSWKMVNGPTIQ-UHFFFAOYSA-N	283.500	4.635	70	10	CJIE	
CCN[C@@H](Cc1ccc(Cl)cc1Cl)c1coc(C)c1	160492736	ODNCRXCJFDATAG-HNNXBMFYSA-N	298.213	4.788	70	10	CJIE	
Cc1ccc2c(c1)[C@H](Nc1cccc3ncccc13)CC2	160755039	OWRCVMVYOKBLLL-LJQANCHMSA-N	274.367	4.643	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@H](N)[C@@H](Cc2ccc(F)cc2Cl)C1	217748459	MCAYWLSSLBNYHX-ZENOOKHLSA-N	297.845	4.811	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCCNc1ccccc1	217890087	PPLDUSNOLYNCIK-NXHRZFHOSA-N	275.436	4.576	70	10	CJIE	
CN[C@@H](Cc1ccc(C(C)C)cc1)[C@H]1CCC[C@@H](C)C1	217967803	KAIKGVFURIIJEG-MNEFBYGVSA-N	273.464	4.767	70	10	CJIE	
Cc1cc(OC2C[C@H](C)C[C@@H](C)C2)c(C)c([B-](F)(F)F)c1	686553528	ZZAAHPKLXXHEGQ-GHMZBOCLSA-N	299.165	4.561	70	10	CJIE	
CC(C)=C(CSCCC1CC(F)C1)[B-](F)(F)F	1901639646	LUJULDGNRDOPIC-UHFFFAOYSA-N	269.136	4.581	70	10	CJIE	
Cc1sc(C)c(C=C[B-](F)(F)F)c1Br	1912973058	MQXVNHCYBMSVSL-UHFFFAOYSA-N	283.929	4.527	70	10	CJIE	
C=C(CCN(C)[C@@H]1CCCC(C)(C)CC1)[B-](F)(F)F	2044975602	FOICSINYYAERQE-CYBMUJFWSA-N	276.175	4.610	70	10	CJIE	
C[C@H]1C[C@H](N[C@H](C)c2ccc(F)cc2)CC(C)(C)C1	159839948	YRGITJIBXMANCS-ZENOOKHLSA-N	263.400	4.691	70	10	CJIE	
N[C@H](Cc1ccc(F)cc1Cl)CC1CCCCCC1	160620054	JTJUODVPWNRBCB-HNNXBMFYSA-N	283.818	4.709	70	10	CJIE	
Cc1ccc2ccccc2c1-c1ccc([C@@H](C)N)cc1	160958468	KGQMIIQYWPFPMW-CQSZACIVSA-N	261.368	4.835	70	10	CJIE	
CCc1ccc(C[C@@H](NC)c2ccc(C)c(Cl)c2)s1	161232145	WACBSPDWRIYKLX-MRXNPFEDSA-N	293.863	4.776	70	10	CJIE	
CC(C)[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)c1cccs1	217642878	QOJPTGJBVVBOAE-JDFRZJQESA-N	289.444	4.951	70	10	CJIE	
CCC[C@H](NCCN(CC)CCC)c1ccc(Cl)cc1	217670221	CWNPUKNMNHLEQH-KRWDZBQOSA-N	296.886	4.503	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@H](N)[C@@H](Cc2ccc(Cl)cc2)C1	217747236	DTVDMDLRPXCAJX-DZKIICNBSA-N	279.855	4.672	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCCNc1ccc(F)cc1	217899362	PAXQKSFSLBTPBT-WBAXXEDZSA-N	293.426	4.715	70	10	CJIE	
Nc1nc(/C=C\c2ccc(Oc3ccccc3)cc2)cs1	217964722	ARPRTUTUCLCXON-TWGQIWQCSA-N	294.379	4.688	70	10	CJIE	
CC[C@@H]1CCCC[C@@H]1O[C@H](c1cccc(Cl)c1)[C@@H](C)N	218243308	WTWHCHVRCZWDPJ-OMNBBPDLSA-N	295.854	4.714	70	10	CJIE	
C[C@@H]1C[C@H](O[C@H](C)C(=O)c2ccc(F)cc2)CC(C)(C)C1	218411439	BPACLEFVSKGKEU-IOASZLSFSA-N	292.394	4.628	70	10	CJIE	
CC(=C[B-](F)(F)F)c1ccc(F)cc1C(F)(F)F	1912957821	ZNMQGKMTFWUVJC-UHFFFAOYSA-N	270.964	4.634	70	10	CJIE	
C[C@@H]1CCC[C@H](CCN2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)C1	2265062319	XJKHDAOHEIPZDB-KBUPBQIOSA-N	288.186	4.516	70	10	CJIE	
CCCC[C@H](CC)C[C@H](CNCCOC)C1CCCC1	160029927	JHEWZWINMZSPCN-FUHWJXTLSA-N	283.500	4.635	70	10	CJIE	
CSc1ccccc1[C@H](O)c1cccc(C2CCC2)c1	160174107	DXUJZTXIEUIDCZ-GOSISDBHSA-N	284.424	4.758	70	10	CJIE	
CCCCOCCCN[C@@H](C)c1oc2ccccc2c1C	160232532	CLSKVLLUIUYWBV-HNNXBMFYSA-N	289.419	4.599	70	10	CJIE	
Cc1cc(C)c([C@@H](C)Nc2cccc(N(C)C)c2)cc1C	161061624	HXMGZCBARXLBIA-MRXNPFEDSA-N	282.431	4.851	70	10	CJIE	
CCCc1ccc([C@H](CC2=CCCCC2)NC)cc1	161299417	HKFHRSMGQLUZNQ-SFHVURJKSA-N	257.421	4.790	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)C[C@@H]1Cc2ccccc21	161337139	FKNWYTYJDWXPAE-ZWKOTPCHSA-N	269.432	4.585	70	10	CJIE	
CCC[C@@H]1NC[C@H](C)[C@@H](c2ccccc2)c2ccccc21	217947519	LGXOJTXYQNNAHM-YSSFQJQWSA-N	279.427	4.899	70	10	CJIE	
Cc1cc(F)ccc1N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218073485	QLNCSQNWXBLSHI-XGWLTEMNSA-N	261.384	4.761	70	10	CJIE	
Cc1ccc(N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c(F)c1	218092522	FWRRBQDQUNKRHH-SRCQZFHVSA-N	261.384	4.761	70	10	CJIE	
CCc1cccc(CC)c1NC(=O)NC=C1CCCCC1	218673239	NCDNAYQMPYKTKO-UHFFFAOYSA-N	286.419	4.781	70	10	CJIE	
Cc1ccc(OC[C@@H](C)C2CCCCC2)c([B-](F)(F)F)c1	313184632	KWMBHGNPGPOLOL-CYBMUJFWSA-N	299.165	4.645	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@H]1c1ccc(Br)c(Cl)c1	1885275072	RKAQHVULSYEZKZ-NKWVEPMBSA-N	298.318	4.807	70	10	CJIE	
CC[C@@H](c1ccccc1)[C@@H](O)c1cc2cccc(F)c2o1	159493956	CSZUFRAFTVUQFX-WMLDXEAASA-N	284.330	4.799	70	10	CJIE	
Cc1ccc([C@H](C)NCc2cc(F)cc(Cl)c2)c(C)c1	160896865	CPNPYYVNDKLJLU-ZDUSSCGKSA-N	291.797	4.947	70	10	CJIE	
CCCCC[C@H](NC)c1c(C)ccc2ccccc12	160905114	ISOWTCIOPZEAOF-KRWDZBQOSA-N	255.405	4.989	70	10	CJIE	
C[C@@H]1C[C@@H](O[C@H](C)CCCNC(C)(C)C)CC(C)(C)C1	216891210	AGGQTYVCUSWBBI-BZUAXINKSA-N	283.500	4.775	70	10	CJIE	
C[C@@H](NCc1cccc2cc[nH]c12)c1ccc(Cl)s1	218090036	DIBZYRVGEVQINW-SNVBAGLBSA-N	290.819	4.734	70	10	CJIE	
CCCCN([C@@H](CC)[C@@H](NC)c1ccccc1)[C@H](C)CC	218700299	NZGSCUKOMYWJPI-NEWSRXKRSA-N	290.495	4.626	70	10	CJIE	
C=CCCCCOc1ccc2ccccc2c1[B-](F)(F)F	2179681298	WDRHHHYMAJKLNT-UHFFFAOYSA-N	293.117	4.629	70	10	CJIE	
C[C@H]1CCC[C@H](CCN2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)C1	2334032344	XJKHDAOHEIPZDB-YJNKXOJESA-N	288.186	4.516	70	10	CJIE	
Cc1cc(F)ccc1OCC(=O)c1ccc(C(C)C)cc1	160592591	VLZRVERGMDEPNW-UHFFFAOYSA-N	286.346	4.519	70	10	CJIE	
CCCN[C@H](Cc1ccc(Cl)s1)C1[C@H]2CCCC[C@H]12	160852723	NWVDZGKFSKYBHS-MELADBBJSA-N	297.895	4.748	70	10	CJIE	
Cc1cc([C@@H](O)c2c(C)ccc3ccccc23)sc1C	160996930	CLERQXWAMBHZOK-GOSISDBHSA-N	282.408	4.908	70	10	CJIE	
CC(C)(C)c1ccccc1[C@@H](N)CC1CCCCC1	161091150	BWLGIRQUBZCUHI-KRWDZBQOSA-N	259.437	4.954	70	10	CJIE	
C[C@@H]1CCC[C@@H](CCNCc2coc3ccccc23)C1	161103993	OKFRFOCWEOUAIY-CABCVRRESA-N	271.404	4.739	70	10	CJIE	
C1CCC([C@H]2CCCC[C@H]2NCCCC2CC2)CC1	161355452	XIGQVAPFRVJBRG-QZTJIDSGSA-N	263.469	4.905	70	10	CJIE	
CCN[C@@H]1CC[C@@H](CC)C[C@@H]1Cc1ccc(F)cc1Cl	217672804	DGBUNYLJJZKQCC-SUYBPPKGSA-N	297.845	4.826	70	10	CJIE	
C[C@H]1CCC[C@@H]([C@@H](N)Cc2c(Cl)cccc2Cl)C1	217956676	ZTVFHRNGFIOSPH-RWSFTLGLSA-N	286.246	4.690	70	10	CJIE	
CCN[C@@H](c1ccc(F)cc1C)[C@H]1CCC[C@@H](C)C1	217980938	JHBALLIFJAJWPO-HACGYAERSA-N	263.400	4.611	70	10	CJIE	
CCCN[C@@H](c1ccc(F)c(F)c1)[C@H]1CCC[C@@H](C)C1	218008531	SVQHNLULIVOFMF-IIYDPXPESA-N	281.390	4.832	70	10	CJIE	
CCCN[C@@H](c1ccc(F)c(F)c1F)[C@@H]1CCC[C@@H](C)C1	218012683	MKFMCOXENXWUKK-PSTGCABASA-N	299.380	4.971	70	10	CJIE	
C[C@@H]1CC[C@@H](CNC2CC2)[C@@H](c2cc(F)ccc2Cl)C1	218521646	XDEIXLFEMNEHIZ-XUJVJEKNSA-N	295.829	4.751	70	10	CJIE	
CC[C@H]1CC[C@H](CN)[C@H]([C@@H]2CCC[C@@H](CC)C2)C1	218662430	KHLSFYAAYZQYRU-JJTUDDRGSA-N	251.458	4.604	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](c2cc(Cl)ccc2OC)C1	218708875	FKTREXPCOUICBU-IPYPFGDCSA-N	295.854	4.607	70	10	CJIE	
CSc1ccccc1[C@H](O)c1ccccc1C1CCC1	160008507	AHYFLMJGWCCRQH-GOSISDBHSA-N	284.424	4.758	70	10	CJIE	
CC[C@@H]1CCC[C@@H](Nc2ccc(F)c(OC)c2)CC1	160038098	RAQZKSRYYYNDOY-CHWSQXEVSA-N	265.372	4.605	70	10	CJIE	
CCCCOCCCN[C@@H](CC(C)(C)C)c1ccccc1	160223414	BBOBHPHLCACEND-SFHVURJKSA-N	291.479	4.960	70	10	CJIE	
CCN[C@@H](c1ccc(C(C)(C)C)cc1)[C@@H]1CCCS1	161073596	YLLGWWYWDRKHIA-HOTGVXAUSA-N	277.477	4.530	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)c1cc(F)ccc1F	161423266	MHTRFSBGVHBZRM-QGZVFWFLSA-N	279.374	4.896	70	10	CJIE	
CCC[C@@H]1CC[C@H](NC)[C@@H](Cc2c(C)cc(C)cc2C)C1	217699036	PKFUPJPZWKRXTO-GGPKGHCWSA-N	287.491	4.959	70	10	CJIE	
CCN[C@@H](c1cccc(C)c1C)[C@@H]1CCC[C@@H](C)C1	217994182	PPISTSSCKYWDLM-MZMPZRCHSA-N	259.437	4.780	70	10	CJIE	
CCC[C@H]1CC[C@@H](CN)[C@@H](CCCc2ccccc2)C1	218753845	ZKYFPXHBNCMZEG-FHWLQOOXSA-N	273.464	4.801	70	10	CJIE	
COc1cc(N[C@@H]2CC[C@H](C)c3ccccc32)ccc1F	160133268	BFMAYGSURKVCTI-YVEFUNNKSA-N	285.362	4.885	70	10	CJIE	
CN[C@@H](CCC(F)(F)F)c1c(C)ccc2ccccc12	160906506	ADRKSANKAINXEP-AWEZNQCLSA-N	281.321	4.751	70	10	CJIE	
CCCN[C@H](c1ccc(CCC)cc1)[C@H]1CCCS1	161140361	BHOXDANBGDGJCW-IAGOWNOFSA-N	277.477	4.575	70	10	CJIE	
Cc1ccc(NC2CCC(C(C)C)CC2)cc1N(C)C	161144773	MGJRHWFWJYFJPI-UHFFFAOYSA-N	274.452	4.688	70	10	CJIE	
CC[C@H]1CC[C@@H](NC)[C@@H](Cc2ccc(C(F)(F)F)cc2)C1	217652131	QHIJIJZSLDWATG-JGGQBBKZSA-N	299.380	4.662	70	10	CJIE	
C[C@H](N)c1ccc(SC/C=C\c2ccccc2)cc1	217701962	XNRZAAKEZQJMTM-PODYEWJSSA-N	269.413	4.512	70	10	CJIE	
CCN[C@H](c1ccccc1OCC)[C@@H]1CCC[C@@H](C)C1	217976234	GRYSCNXZPUQCEF-RKVPGOIHSA-N	275.436	4.562	70	10	CJIE	
Cc1ccc(C(C)C)c2oc(Br)cc12	218100076	JJRNBLPHBSWPCZ-UHFFFAOYSA-N	253.139	4.627	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1N[C@@H](C)Cc1ccsc1	218141338	HWCAWJWPIKLTHV-DIECFANBSA-N	279.493	4.730	70	10	CJIE	
CCCN[C@@H]1CCCC[C@@H]1O[C@@H]1C[C@@H](C)CC(C)(C)C1	218751363	KJEWJZFSGUAVRI-VQHPVUNQSA-N	281.484	4.529	70	10	CJIE	
Cc1cc(O[C@@H](C)CCC(C)C)c(C)c([B-](F)(F)F)c1	2090306024	PWFLUQCXQAFZCW-LBPRGKRZSA-N	287.154	4.561	70	10	CJIE	
CCCCCCCCC(=O)N1CCC[C@H]([B-](F)(F)F)C1	2133921562	XODIRLXMBZDCOB-ZDUSSCGKSA-N	292.174	4.577	70	10	CJIE	
Cc1ccc([C@@H](O)c2cc3cc(F)ccc3o2)cc1Cl	159413175	JQXVRYCTAPBZRP-MRXNPFEDSA-N	290.721	4.615	70	10	CJIE	
CC(C)c1ccc([C@H]2CCNC[C@H]2C2CCCC2)cc1	160115343	SMHVYPBWQJSABS-MOPGFXCFSA-N	271.448	4.693	70	10	CJIE	
CCN[C@@H](Cc1ccc(CC)s1)c1cc(C)ccc1F	161139250	GYXLIFVGMCUCDZ-KRWDZBQOSA-N	291.435	4.651	70	10	CJIE	
Cc1ccc(C)c2c(C(C)C)c(CNCC(C)C)oc12	161237528	KGBXIRUUIUKXSG-UHFFFAOYSA-N	273.420	4.919	70	10	CJIE	
CCc1ccc(C[C@@H](NC)c2cc(C)cc(Cl)c2)s1	161237863	HQWFOOFJQSTFLL-MRXNPFEDSA-N	293.863	4.776	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc([C@@H](N)C3CCC3)ccc21	161480484	KGAYKILIOPFHBH-KRWDZBQOSA-N	271.448	4.836	70	10	CJIE	
C[C@@H]1C[C@H](O[C@H](C)CCCNC(C)(C)C)CC(C)(C)C1	216891253	AGGQTYVCUSWBBI-OAGGEKHMSA-N	283.500	4.775	70	10	CJIE	
CC[C@H](C)c1ccccc1NC(=O)NCc1ccccc1C	217313825	RZHCVQHLDRQKTJ-AWEZNQCLSA-N	296.414	4.830	70	10	CJIE	
CC[C@H]1CC[C@@H](N)[C@@H](Cc2ccc(Cl)cc2Cl)C1	217637188	UKVYGVIUONBLNJ-JVLSTEMRSA-N	286.246	4.690	70	10	CJIE	
CCC[C@H]1CC[C@@H](NCC)[C@@H](Cc2ccc(F)cc2F)C1	217714756	DINXAORMNNXFRJ-JCKWVBRZSA-N	295.417	4.702	70	10	CJIE	
CC[C@H]1CCCC[C@H]1O[C@@H](c1ccc(C)s1)[C@@H](N)CC	218244532	SOEJEXTUWFFMOD-LJIGWXMPSA-N	295.492	4.820	70	10	CJIE	
C[C@H](F)c1csc2ccc(Br)cc12	218331106	JCFHLUJAUFVJDI-LURJTMIESA-N	259.143	4.694	70	10	CJIE	
CCCN[C@H](Cc1cc(F)cc(F)c1)[C@@H]1CC[C@@H](CC)C1	218677488	JRKLUUIAAITCJE-DDUZABMNSA-N	295.417	4.702	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1c1c(Cl)cccc1Cl	1885273570	DCKZKXNCRGVLER-NTSWFWBYSA-N	253.867	4.698	70	10	CJIE	
CCc1cc(Br)c([C@@H]2C[C@H]2[B-](F)(F)F)s1	1885275791	XQPWAUTZFPZPHD-RNFRBKRXSA-N	297.956	4.778	70	10	CJIE	
C=C(CCOc1ccccc1[C@@H](C)CC)[B-](F)(F)F	2044980612	WORHUZYZENTAOD-NSHDSACASA-N	271.111	4.912	70	10	CJIE	
CC(C)=C(CO[C@@H]1CC[C@H](C)C[C@@H]1C)[B-](F)(F)F	2301965209	QTHOOAWHDVBZOS-GMXVVIOVSA-N	263.132	4.551	70	10	CJIE	
Cc1cc([C@@H](O)c2cc3cccc(Cl)c3o2)sc1C	159651365	KSVBONGWBWCKSM-AWEZNQCLSA-N	292.787	4.846	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)c1ccc(OC)cc1C	161442652	OKXPMCKPIRBENB-IBGZPJMESA-N	287.447	4.935	70	10	CJIE	
CCN[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1OC(C)(C)CC	216844916	APQAJJWVXSNABY-KSZLIROESA-N	289.463	4.506	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccccc1N(C)C	217996401	GOEVHMMFPOXTNH-INMHGKMJSA-N	274.452	4.625	70	10	CJIE	
CCOc1cc(C)ccc1N[C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218104012	QXYUSKROJWTIIY-ORDFZIBCSA-N	285.431	4.630	70	10	CJIE	
CC[C@H](N)[C@H](Oc1ccccc1[C@H](C)CC)C(C)(C)C	218241434	MFNMRQQBPBOFAC-KMFMINBZSA-N	277.452	4.731	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)C)C[C@@H]1Oc1ccccc1C(C)C	218777478	LDRSXTIUOLGVKU-WDYCEAGBSA-N	289.463	4.602	70	10	CJIE	
CC(C)(C)C1(CN2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)CCC1	1879766037	BSZIHSHGETYLCR-IUODEOHRSA-N	288.186	4.516	70	10	CJIE	
C=C(CCSc1ccccc1Cl)[B-](F)(F)F	1959650798	IJZPFJADOHQKTD-UHFFFAOYSA-N	265.516	4.765	70	10	CJIE	
CC(C)=C(COCc1cccc(Cl)c1)[B-](F)(F)F	2301863541	DYJRKKVXGGLBFN-UHFFFAOYSA-N	277.502	4.580	70	10	CJIE	
CCCCC1CCC(N)([C@@H]2C[C@H]2c2ccccc2)CC1	159548928	DCDBVCWDPLSLET-PZZKWDHKSA-N	271.448	4.868	70	10	CJIE	
O[C@H](c1ccc2c(c1)CCC2)c1ccccc1C1CCC1	160004142	WPRHDESLLBKMKX-HXUWFJFHSA-N	278.395	4.525	70	10	CJIE	
CC(C)CC1([C@H](O)Cc2ccc(Cl)cc2F)CCCC1	160402208	VLAODZJCFUWXHY-MRXNPFEDSA-N	298.829	4.989	70	10	CJIE	
CN[C@H](c1ccc2c(c1)C(C)(C)CCC2(C)C)[C@H]1C[C@H]1C	161487737	LTRRRVKBLZUDEU-QIIPPGSGSA-N	285.475	4.952	70	10	CJIE	
Cc1sc(-c2cccc(Cl)c2)nc1Br	217251146	HJFKIYNNVQFXIN-UHFFFAOYSA-N	288.597	4.534	70	10	CJIE	
CCCOc1cccc(N[C@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c1	217622187	JSQAYJBLYUGUME-QZCFVMSDSA-N	285.431	4.712	70	10	CJIE	
CCC[C@H]1CC[C@H](N)[C@@H](Cc2ccc(F)cc2Cl)C1	217692386	VFJALJBIZYCRPQ-GHJWDPDVSA-N	283.818	4.565	70	10	CJIE	
C[C@H]1CCC[C@H]([C@@H](N)Cc2cccc3ccccc23)C1	217959173	WVROOUUJIIBDDW-FNHZYXHNSA-N	267.416	4.536	70	10	CJIE	
CC[C@H]1CCCC[C@H]1N[C@H](c1ccccc1)C(C)C	218154429	WNUUCMREIZBWCH-JQHSSLGASA-N	259.437	4.942	70	10	CJIE	
COc1ccc2ccccc2c1[C@@H]1C[C@@H]1[B-](F)(F)F	2059003458	OGZOSTDRCGTKME-NEPJUHHUSA-N	265.063	4.553	70	10	CJIE	
CC(C)(C)c1ccccc1CN1CCC[C@H]([B-](F)(F)F)C1	2190464514	MCUNHIKTROTFNZ-AWEZNQCLSA-N	298.181	4.798	70	10	CJIE	
CCCC[C@H](CC)N(C)CC(=C(C)C)[B-](F)(F)F	2301866146	DVCHHVUBSCJIIU-LBPRGKRZSA-N	264.164	4.610	70	10	CJIE	
O[C@H](c1cc2c(s1)CCCCC2)[C@H]1C[C@H]1c1ccccc1	160052667	XFMGVPSWYWJUBI-BXWFABGCSA-N	298.451	4.854	70	10	CJIE	
O=C(Cc1ccc(Cl)cc1)C1C2CC3CC(C2)CC1C3	160165710	XHZFNFCEIBUIKO-UHFFFAOYSA-N	288.818	4.524	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](N)Cc1ccc(F)cc1	160842017	YPZIQEUEPJFGAX-GOSISDBHSA-N	279.358	4.530	70	10	CJIE	
CN[C@H](CCC(F)(F)F)c1c(C)ccc2ccccc12	160906378	ADRKSANKAINXEP-CQSZACIVSA-N	281.321	4.751	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)s1)C[C@@H](C)C(C)(C)C	161103586	MMHVWKDBXOKNKT-KGLIPLIRSA-N	281.509	4.903	70	10	CJIE	
CC[C@H]1CCc2nc(C3(CC(C)C)CCCC3)[nH]c2C1	216974845	UEMIODDIKHGABA-AWEZNQCLSA-N	274.452	4.783	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1Cc1cc(C)cc(C)c1	217752429	LXMUDSJZDGEOQO-GBESFXJTSA-N	287.491	4.896	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCCN[C@@H]1CCC[C@@H](C)C1	217896407	JUIQQINVIKILKY-QQXKLLMISA-N	295.511	4.632	70	10	CJIE	
CCCC1CCC(CN2CC[C@@H]([B-](F)(F)F)C2)CC1	2319655666	JQVUVUBJRUYIOI-JXQTWKCFSA-N	276.175	4.516	70	10	CJIE	
CC(C)=C(CN(C)[C@@H]1CCCCCC12CC2)[B-](F)(F)F	2340325901	ONELSNUZQCSTAU-CQSZACIVSA-N	288.186	4.754	70	10	CJIE	
Cc1ccc([C@H](C)N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1	159916484	LWRFISHVAYRIGS-VYDXJSESSA-N	259.437	4.860	70	10	CJIE	
Cc1cc(F)ccc1OCc1cccc(C(F)(F)F)c1	160719486	NLAPZMBBEVFDCO-UHFFFAOYSA-N	284.252	4.732	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](N[C@H](C)Cc1ccc(C)s1)CC2	160829061	HQNXYKXYDFFCBY-ACJLOTCBSA-N	285.456	4.573	70	10	CJIE	
CCN[C@H](Cc1ccc(Cl)s1)c1cccc(C)c1C	160843978	KNMOMWKXGJIVRF-OAHLLOKOSA-N	293.863	4.912	70	10	CJIE	
CC(C)(CNCc1coc2ccccc12)c1cccs1	161110070	OQRGBLPRRRRQKM-UHFFFAOYSA-N	285.412	4.562	70	10	CJIE	
Cc1ccc(N[C@@H](c2cccs2)C(C)C)cc1N(C)C	161195612	GOKZBGBYNFDMNR-QGZVFWFLSA-N	288.460	4.932	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)s1)c1cccc(C)c1F	161202917	ZMNSRSKKZDGQLF-MRXNPFEDSA-N	291.435	4.651	70	10	CJIE	
CCCNCc1oc2c(C)c(C)cc(C)c2c1CCC	161218932	BOVSTBOGMNOQHI-UHFFFAOYSA-N	273.420	4.810	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)c1cccc(OC)c1	161408456	IWVJSGBIXBMVEF-GOSISDBHSA-N	273.420	4.626	70	10	CJIE	
c1ccc(-c2ccc(N[C@H]3C[C@@H]4CC[C@H]3C4)cc2)cc1	217545476	CPLZYHWLLWDDLF-LJHODMEESA-N	263.384	4.954	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1ccccc1N(C)C	217996478	GOEVHMMFPOXTNH-ZOBUZTSGSA-N	274.452	4.625	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@@H](CN)[C@@H](Cc2cc(F)cc(F)c2)C1	218723704	OCDMWGSFBUYRMH-SOUVJXGZSA-N	295.417	4.545	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](CN)[C@@H](Cc2c(F)cccc2Cl)C1	218781475	SUAMOTYMRAUHMP-MELADBBJSA-N	297.845	4.669	70	10	CJIE	
C=C(COCC=C(C)CCCC(C)C)[B-](F)(F)F	2300912046	QMAXMTITTQYOLQ-UHFFFAOYSA-N	263.132	4.718	70	10	CJIE	
CCc1ccsc1[C@H](Cc1ccc(F)cc1Cl)NC	160564377	BYGKVSBZCUSWBW-AWEZNQCLSA-N	297.826	4.606	70	10	CJIE	
CCc1ccc(C(=O)c2c(C)ccc3ccccc23)o1	160810931	WWMDSRGDJJMGMH-UHFFFAOYSA-N	264.324	4.535	70	10	CJIE	
CCc1ccc([C@@H](NC)c2c(C)ccc3ccccc23)o1	160910253	RKUVEALRSAYTBJ-LJQANCHMSA-N	279.383	4.612	70	10	CJIE	
CCNCc1oc2c(Cl)cc(C)cc2c1C(C)(C)C	161459992	LDWMNJVFZQTMSI-UHFFFAOYSA-N	279.811	4.802	70	10	CJIE	
CC[C@@H]1CC[C@H](CN)[C@@H](Cc2cccc3ccccc23)C1	218685059	QALZUZITXRFLQH-ATZDWAIDSA-N	281.443	4.784	70	10	CJIE	
CCCN[C@@H]1CC[C@@H](CCC)C[C@@H]1N(C)[C@@H](C)CC(C)C	218694467	HUSPOLCZJAIRBX-MANSERQUSA-N	296.543	4.690	70	10	CJIE	
CCCN[C@@H]1CC[C@@H](CCC)C[C@@H]1Oc1ccc(C)cc1	218779024	MJTRFAINPXVYCL-QRQLOZEOSA-N	289.463	4.711	70	10	CJIE	
CC(C)=C(CO[C@H]1CCCC(F)(F)CC1)[B-](F)(F)F	2317863946	PCXPKQIQMSXVDT-JTQLQIEISA-N	285.085	4.694	70	10	CJIE	
Cc1cc(C)c([C@@H](N)Cc2ccc(F)cc2Cl)c(C)c1	160585871	GGABZNGRQFMXDU-INIZCTEOSA-N	291.797	4.647	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)c1ccc(F)c(F)c1	161430004	IKMRCAREMCBYRS-QGZVFWFLSA-N	279.374	4.896	70	10	CJIE	
CC(C)[C@H]1CC[C@H](N)[C@@H](Cc2cccc3ccccc23)C1	217778874	AFQNHHGLYNELJV-HQRMLTQVSA-N	281.443	4.782	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCCNc1ccccc1F	217893393	WHWOZUXEMZXPHY-RKVPGOIHSA-N	293.426	4.715	70	10	CJIE	
CCC[C@@H]1CC[C@H](O)[C@@H](Cc2ccc(F)cc2Cl)C1	218296052	UENYGJFKFOXVJI-KFNAQCHYSA-N	284.802	4.599	70	10	CJIE	
C[C@H](F)c1cc2c(Br)cccc2s1	218330947	XRTQUBOXYXQVCD-LURJTMIESA-N	259.143	4.694	70	10	CJIE	
CNC[C@@H]1CC[C@@H](C(C)C)C[C@@H]1c1cc(F)ccc1Cl	218524704	KSIRUNSRSAYIHV-IPYPFGDCSA-N	297.845	4.854	70	10	CJIE	
CCCCCCCCCCC[C@H](C)S(=O)(=O)Cl	1951904340	FPTCJRIFHBUZEF-ZDUSSCGKSA-N	282.877	4.864	70	10	CJIE	
Cc1cc(OCCCC[C@H]2C[C@H]2C)c(C)c([B-](F)(F)F)c1	2280466371	OWNFVIRJTPLQSP-OCCSQVGLSA-N	299.165	4.563	70	10	CJIE	
C[C@@H]1C[C@H]1CCCCCN1CC[C@@](C)([B-](F)(F)F)C1	2319704216	FLXUFZLCLHYZLD-MGPQQGTHSA-N	276.175	4.516	70	10	CJIE	
CCC(CC)(CNCC(C)C)[C@H]1C[C@H]1c1ccccc1	159427064	BRZZRMLWYOENNB-ROUUACIJSA-N	273.464	4.842	70	10	CJIE	
CCCNC[C@H](CCCc1ccccc1)C1CCCC1	159948633	PZAGCLBNKSIAHN-IBGZPJMESA-N	273.464	4.815	70	10	CJIE	
Cc1ccc2c(c1)[C@H](N[C@H](C)Cc1ccc(C)s1)CC2	160828940	HQNXYKXYDFFCBY-FZKQIMNGSA-N	285.456	4.573	70	10	CJIE	
CCOCc1ccccc1NCc1cc(F)cc(Cl)c1	160888755	AULCXWKFRXDWQO-UHFFFAOYSA-N	293.769	4.628	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)C[C@H]1Cc2ccccc21	161406527	NNKZMGAZPNHMAU-MOPGFXCFSA-N	283.459	4.975	70	10	CJIE	
CN[C@H](Cc1c(C)cc(C)cc1C)[C@@H]1CCC[C@@H](C)C1	217972433	KMEPFVFFFKSHRO-OMWUSAIZSA-N	273.464	4.569	70	10	CJIE	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](N[C@H](c1ccccc1)C1CC1)C2	218144353	PMEGFAZXRSUUHA-XFKSJGNHSA-N	283.459	4.942	70	10	CJIE	
CCN[C@H]1CCCCC[C@@H]1O[C@@H]1C[C@@H](C)CC(C)(C)C1	218752182	XHRGQLQEIKKCGN-NCOADZHNSA-N	281.484	4.529	70	10	CJIE	
CCN[C@H]1CC[C@@H](CC)C[C@@H]1Oc1ccccc1C(C)C	218777234	MBGCRYQWSDDLHP-AYBZRNKSSA-N	289.463	4.746	70	10	CJIE	
Cc1cc(O[C@@H]2C[C@@H](C)C[C@@H](C)C2)c(C)c([B-](F)(F)F)c1	686553530	ZZAAHPKLXXHEGQ-YABSGUDNSA-N	299.165	4.561	70	10	CJIE	
Cc1ccc([C@@H]2C[C@H]2[B-](F)(F)F)c(C)c1Br	1894121201	SWXYEBFTNFVONW-VHSXEESVSA-N	291.927	4.771	70	10	CJIE	
C[C@@H]1CCC[C@@H](CCN2CC[C@](C)([B-](F)(F)F)C2)C1	2319729489	FTDJZMVRJNJVTK-RDBSUJKOSA-N	276.175	4.516	70	10	CJIE	
CCOc1cc(F)ccc1NCc1coc2ccccc12	161082737	WXVHGFJWLASICG-UHFFFAOYSA-N	285.318	4.583	70	10	CJIE	
CC[C@@H](Nc1cccc(N(C)C)c1)c1cccc(Cl)c1	161100965	YRVBTGBXPVMLQN-QGZVFWFLSA-N	288.822	4.969	70	10	CJIE	
CC[C@@H](C)[C@H](C)N[C@H](c1ccc(Cl)cc1)C1CC1	218138042	FMLNJWKJFDONIV-WQGACYEGSA-N	265.828	4.815	70	10	CJIE	
F[B-](F)(F)/C=C/c1ccc(OC(F)(F)F)c(Cl)c1	2009404822	RJPVAHLDECRSKA-ONEGZZNKSA-N	289.391	4.638	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(OCCCCC[C@H]2C[C@H]2C)c1	2284870522	JQMVPZLLLGBXNA-KGLIPLIRSA-N	299.165	4.645	70	10	CJIE	
CC1(C)CC[C@H](CCN2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)C1	2344850550	FAVDLIHIYCGEBO-VNHYZAJKSA-N	288.186	4.516	70	10	CJIE	
CCCNC[C@@H](Cc1ccc(C)c(C)c1)C1CCCC1	159948797	PUODKNNTNOVVQJ-LJQANCHMSA-N	273.464	4.652	70	10	CJIE	
CCO[C@](C)(CC)C(=O)c1ccc(-c2ccccc2)cc1	160608592	AWTPPSQNIWKMRK-LJQANCHMSA-N	282.383	4.742	70	10	CJIE	
C[C@@H](N[C@@H]1CCC[C@@H](C(C)(C)C)CC1)c1ccco1	160780459	FQUKAQWBDOEERS-RBSFLKMASA-N	263.425	4.925	70	10	CJIE	
CC[C@@H](C)c1cccc2c(COC)c(CNC(C)C)oc12	161377630	PYAHUVMFSPSXOF-CYBMUJFWSA-N	289.419	4.591	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)c1ccccc1F	161417617	PUYXRCFLJKXXSL-KRWDZBQOSA-N	261.384	4.757	70	10	CJIE	
Cc1cc2c(n1[C@H]1CCC[C@H](C)[C@H]1C)CC(C)(C)CC2=O	218608233	VUGUBJFFDDJFEZ-BJJXKVORSA-N	287.447	4.949	70	10	CJIE	
Cc1cc(O[C@@H]2C[C@H](C(C)C)CC[C@H]2N)ccc1C(C)C	218768813	CXPLZEFUSFNGHD-ATZDWAIDSA-N	289.463	4.649	70	10	CJIE	
F[B-](F)(F)/C=C\c1ccc(SC(F)(F)F)cc1	309602197	CFLDULUOWTXHBF-WAYWQWQTSA-N	271.014	4.698	70	10	CJIE	
C=C(CCN1CCCC12CCCCCC2)[B-](F)(F)F	2044973417	VVUVSRVRZYYYHG-UHFFFAOYSA-N	274.159	4.508	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCCN(C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2338940086	AQFCMNHOOTTXDD-BYNSBNAKSA-N	288.186	4.516	70	10	CJIE	
CC(C)=C(CN(C)[C@H](C)C12CCC(CC1)C2)[B-](F)(F)F	2340129625	MYEXRNGGQHVQLW-DNOWBOINSA-N	288.186	4.610	70	10	CJIE	
CC(C)CCOCC[C@@H](CNC(C)(C)C)C1CCCC1	160005518	WUXVFIFSTOWSEK-KRWDZBQOSA-N	283.500	4.634	70	10	CJIE	
CCCc1cc(Cl)nc(C2(OCC)CCCCCC2)n1	160370836	HMSRPCFJPWHZRX-UHFFFAOYSA-N	296.842	4.669	70	10	CJIE	
Cc1cc([C@H](N)c2c(C)ccc3ccccc23)ccc1F	160857153	RTMKQMYLCZJJPM-IBGZPJMESA-N	279.358	4.644	70	10	CJIE	
CC[C@@H](Nc1cccc(N(C)C)c1)c1ccc(C)cc1	161131687	QKSDAZDVLHCDII-GOSISDBHSA-N	268.404	4.624	70	10	CJIE	
CC[C@H](C)c1cccc2c(COC)c(CNC(C)C)oc12	161377782	PYAHUVMFSPSXOF-ZDUSSCGKSA-N	289.419	4.591	70	10	CJIE	
C[C@@H]1C[C@H](OCCN[C@H](C)c2cccs2)CC(C)(C)C1	217912283	XRZYPPHBSHPOGV-KFWWJZLASA-N	295.492	4.630	70	10	CJIE	
COCc1ccccc1N[C@H]1C[C@@H](C)CC[C@@H]1C(C)C	218023512	ZJFDTIPRBVMOAT-LESCRADOSA-N	275.436	4.706	70	10	CJIE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N	218535677	CLFZWCDIBRLZHY-XAJHFOFHSA-N	265.485	4.993	70	10	CJIE	
CC(C)c1ccc(NC(=O)NC=C2CCCCC2)cc1	218664237	HAZOJMXJQKXQFF-UHFFFAOYSA-N	272.392	4.780	70	10	CJIE	
CC(C)=C(COc1cc(C)cc(Cl)c1)[B-](F)(F)F	2301869997	UPIZUGDLGLJUOZ-UHFFFAOYSA-N	277.502	4.750	70	10	CJIE	
CC(C)NC[C@@H](Cc1ccc2c(c1)CCC2)C1CCCC1	159964100	ZNKKCUWNYUGMDT-HXUWFJFHSA-N	285.475	4.522	70	10	CJIE	
Cc1ccc(C)c(C[C@@H](O)c2cccc(C3CCC3)c2)c1	160207137	PNQNKWJNOICUAD-HXUWFJFHSA-N	280.411	4.847	70	10	CJIE	
CN[C@H](CC1=CCCCC1)Cc1c(F)cccc1Cl	161268453	OCZUSXYHZXUWLU-CYBMUJFWSA-N	281.802	4.500	70	10	CJIE	
N[C@H]1CC[C@H](c2ccccc2)C[C@@H]1Cc1cccc(Cl)c1	217766761	JPDMLNLAUZGGIL-LNLFQRSKSA-N	299.845	4.794	70	10	CJIE	
CCCN[C@H](c1ccc(F)cc1)[C@@H]1CCC[C@@H](C)C1	218028012	GEGUNRRVRWVOMC-FRFSOERESA-N	263.400	4.693	70	10	CJIE	
Cc1cc(F)ccc1N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218073665	QLNCSQNWXBLSHI-SRCQZFHVSA-N	261.384	4.761	70	10	CJIE	
Cc1cccc(CC[C@H](C)N[C@H]2CCC[C@@H](C)[C@@H]2C)c1	218074442	SEHXJGSZUZHSRL-DFEOGRTESA-N	273.464	4.730	70	10	CJIE	
CC[C@@H](N)[C@@H](O[C@@H]1CCC[C@@H](C)C1)c1ccc(Cl)cc1	218273835	NDBHRMMWMBAPKL-YYQUZTFQSA-N	295.854	4.714	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)C)C[C@@H]1Oc1cccc(C(C)C)c1	218766675	BLUFIRXTYSVHFO-QRQLOZEOSA-N	289.463	4.602	70	10	CJIE	
CC(C)Cc1nc(-c2ccccc2)sc1CNC(C)C	159862275	JRNPVVPSWXTWQB-UHFFFAOYSA-N	288.460	4.507	70	10	CJIE	
CC(C)CNC[C@H](Cc1cccc(F)c1F)C1CCCC1	160009811	QOMMMRKOORFTCN-INIZCTEOSA-N	295.417	4.559	70	10	CJIE	
CCCCOCCCN[C@@H](C)c1ccc(CC(C)C)cc1	160246950	AIVDFWKAURRGDP-KRWDZBQOSA-N	291.479	4.743	70	10	CJIE	
CCOc1cc(F)ccc1N[C@@H]1CCc2ccc(C)cc21	160796766	XZHBVBBHEZIDGD-MRXNPFEDSA-N	285.362	4.632	70	10	CJIE	
CCCCC1CCC(c2nc3c([nH]2)C[C@H](C)CC3)CC1	216968000	YDOPFQNYWZAGMZ-WLYUNCDWSA-N	274.452	4.999	70	10	CJIE	
CC(C)[C@H]1CC[C@H](O)[C@@H](Cc2cccc3ccccc23)C1	218323319	ITSFAELHTJLUAQ-HQRMLTQVSA-N	282.427	4.816	70	10	CJIE	
CC[C@@H]1CC[C@@H](CNC)[C@@H](c2cc(F)ccc2Cl)C1	218522669	XTTMKGLNGREDNY-DYEKYZERSA-N	283.818	4.608	70	10	CJIE	
C=C(CCOc1ccc(C(C)(C)C)cc1)[B-](F)(F)F	2044980598	WIMFGQBOZKWDFJ-UHFFFAOYSA-N	271.111	4.696	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OCCCC[C@H]1C[C@H]1C	2280465943	LQVGKMIWVJYHEW-OCCSQVGLSA-N	299.165	4.509	70	10	CJIE	
CCCCCC(C)(C)CNC1=NCC2(CCCC2)CS1	160248473	SGIRZHDWBYHTMQ-UHFFFAOYSA-N	296.524	4.846	70	10	CJIE	
CCc1ccc(C[C@H](NC)c2cc(C)cc(Cl)c2)s1	161237748	HQWFOOFJQSTFLL-INIZCTEOSA-N	293.863	4.776	70	10	CJIE	
COC1(C(=O)c2ccc3ccccc3c2)CCCCCC1	161299356	ZKKMJUAJNLXPOT-UHFFFAOYSA-N	282.383	4.762	70	10	CJIE	
CCCC(CCC)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218073719	FRPANLMKETUEHC-JLJPHGGASA-N	251.458	4.760	70	10	CJIE	
CC[C@@H](N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)c1ccco1	218142330	UJIJITSFSGJFEP-TZDHZFECSA-N	261.409	4.535	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](O)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	218314450	BRAZGONUZXDARF-AOIWGVFYSA-N	288.475	4.960	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1c1cc(Br)ccc1Cl	1885275687	WWBRQTXCYYMZIJ-HTRCEHHLSA-N	298.318	4.807	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1OCCCCC[C@H]1C[C@@H]1C	2284857030	CNWYASGYRUWAKQ-JSGCOSHPSA-N	299.165	4.645	70	10	CJIE	
CCCN[C@@H](CCC(C)C)c1cccc(OC2CC2)c1	159577162	AZDNSVLXJYDLAZ-SFHVURJKSA-N	275.436	4.705	70	10	CJIE	
CCCCC[C@@H](NCC)[C@H](OCC)C1CCCCC1	159916755	KLGBNJFFPUNXMY-IAGOWNOFSA-N	269.473	4.530	70	10	CJIE	
Cc1ccc(F)c([C@@H](O)c2cccc(C3CCC3)c2)c1F	160211946	RCNLGJUJNAQESS-SFHVURJKSA-N	288.337	4.622	70	10	CJIE	
CC[C@@H](c1ccccc1)[C@H](N)Cc1ccc(F)cc1Cl	160584660	BIEAEJFVOMKDQC-DOTOQJQBSA-N	291.797	4.543	70	10	CJIE	
Cc1ccc([C@H](N)c2cc3ccc(F)cc3s2)cc1C	161134914	HQHJAXVFQHRGOK-KRWDZBQOSA-N	285.387	4.705	70	10	CJIE	
CCO[C@]1(C(=O)c2ccc(Cl)cc2F)CCC[C@H](C)C1	161146020	UDZQBUZBYAZVOG-MEDUHNTESA-N	298.785	4.647	70	10	CJIE	
CCCC[C@H](CC)c1nc2c([nH]1)C[C@@H](C(F)(F)F)CC2	216980087	FNHVZSSDPNZHIR-QWRGUYRKSA-N	288.357	4.761	70	10	CJIE	
CC[C@H](C)[C@H](c1ccccc1)[C@@H](NC)c1cc(C)oc1C	217877732	CPFVZJBFKUOILB-BKTGTZMESA-N	285.431	4.987	70	10	CJIE	
C[C@H]1CCC[C@H]([C@@H](N)c2cc(Cl)ccc2Cl)C1	217946004	VPRVMWGCLJBCQH-PKFCDNJMSA-N	272.219	4.820	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1N[C@H](c1ccc(OC)cc1)C1CC1	218152999	SXDXEIYNBOSLSH-JVPBZIDWSA-N	287.447	4.705	70	10	CJIE	
CN[C@@H]1CCCCCCCCCC[C@H]1N(C)[C@@H](C)C1CC1	218637609	RJKFCGSOBJNXLY-QXAKKESOSA-N	294.527	4.588	70	10	CJIE	
Cc1ccc(C[C@H](CNCC(C)C)C2CCCC2)cc1C	160016151	CKXHQEBHLLWARJ-HXUWFJFHSA-N	287.491	4.898	70	10	CJIE	
Cc1ccc(-c2c(N)noc2-c2cccc(C)c2Cl)cc1	160494671	RNFZVXKZZNDEBO-UHFFFAOYSA-N	298.773	4.861	70	10	CJIE	
Cc1cncc([C@H]2CC(C)(C)CC[C@H]2CNC(C)(C)C)c1	161041988	RTLZZPUNLOPURP-RDJZCZTQSA-N	288.479	4.688	70	10	CJIE	
CCOC1(C(=O)Cc2cccc(Cl)c2)CCCCCC1	161348624	SRXRCSADVIYWLL-UHFFFAOYSA-N	294.822	4.581	70	10	CJIE	
Cc1cc(Cl)c2oc(CNC3CC3)c(CC(C)C)c2c1	161459458	SWYFYMFDUYAHEY-UHFFFAOYSA-N	291.822	4.845	70	10	CJIE	
Cc1cc(C)cc(C[C@]2(N)C[C@H](C)CC[C@H]2C(C)C)c1	217880966	BNALEOKADNXFSY-MDASCCDHSA-N	273.464	4.636	70	10	CJIE	
COc1ccc(Cl)cc1N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218068479	QXIJYACGAOMIEU-XQAQDONZSA-N	293.838	4.975	70	10	CJIE	
CC[C@H](N)[C@@H](O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)c1ccco1	218105801	BXPVVDQZETUMRW-BBZRVKOSSA-N	293.451	4.535	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@@H](CN)[C@@H](c2cc(F)ccc2Cl)C1	218520127	ULBZSPUWXZYPIS-SCRDCRAPSA-N	297.845	4.984	70	10	CJIE	
CCCN[C@@H](C1=CCCCO1)c1cc2ccccc2s1	160357932	QWTOYFSVKOOSEV-KRWDZBQOSA-N	287.428	4.636	70	10	CJIE	
C[C@H]1Nc2cccc(Cl)c2O[C@H]1c1cccc(Cl)c1	160536354	HWWLULQDESXZDM-YMTOWFKASA-N	294.181	4.928	70	10	CJIE	
Cc1ccc(F)cc1[C@H](O)c1c(C)ccc2ccccc12	160968005	SYLPYNFQQSBRHB-IBGZPJMESA-N	280.342	4.677	70	10	CJIE	
Cc1ccc(C)c([C@@H](C)Nc2ccc(C)c(N(C)C)c2)c1	161220166	YNCXTEBAWFMELS-MRXNPFEDSA-N	282.431	4.851	70	10	CJIE	
CN[C@H](c1ccc(C(C)(C)C)cc1)[C@@H]1CCCCS1	161292925	DUJRGVDMHFYFDU-JKSUJKDBSA-N	277.477	4.530	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)Cc1ccccc1C	161437911	FDUCWKORHBMQPD-LJQANCHMSA-N	271.448	4.796	70	10	CJIE	
Cc1ccc(F)c2oc(CNCC(C)C)c(C3CC3)c12	161489162	PGIBEAULMLACJQ-UHFFFAOYSA-N	275.367	4.503	70	10	CJIE	
Cc1c(Cl)nc(C(C)C)nc1N[C@H]1CC[C@H](C)[C@@H](C)C1	217561931	KMTJKEQKSUMFEX-GVXVVHGQSA-N	295.858	4.798	70	10	CJIE	
CN[C@@H]1CCCCCCCCCC[C@@H]1N(C)CC(C)(C)C	218706161	KXIOMQIROSKQTK-MSOLQXFVSA-N	296.543	4.836	70	10	CJIE	
CCCN[C@H]1CCCC[C@@H]1O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	218748603	FRZXOEXCMBDXQF-XCDZQEORSA-N	295.511	4.775	70	10	CJIE	
CC(C)=C(COC[C@@H]1CCC(C)(C)C1)[B-](F)(F)F	2302788450	ZZHVHILXUJITOX-LLVKDONJSA-N	263.132	4.552	70	10	CJIE	
C[C@@H](CCNCc1ccc(Cl)cc1F)c1ccccc1	160818898	VTCOCEOUSBIZKM-ZDUSSCGKSA-N	291.797	4.763	70	10	CJIE	
CCN[C@H](c1c(C)ccc2ccccc12)[C@@H](C)CC	160919783	WZKYCKNSKOZHAO-UGSOOPFHSA-N	255.405	4.845	70	10	CJIE	
CCCN[C@H]1CC[C@H](CCC)C[C@@H]1Cc1cccc(F)c1	217729275	VBTUIWZRRJGUIR-WDYCEAGBSA-N	291.454	4.953	70	10	CJIE	
N[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1Cc1cccc(Cl)c1	217766671	JPDMLNLAUZGGIL-JENIJYKNSA-N	299.845	4.794	70	10	CJIE	
CC(=C[B-](F)(F)F)c1cc(Cl)cc(Cl)c1F	1912956625	JEAHJQWVQRKHJR-UHFFFAOYSA-N	271.857	4.922	70	10	CJIE	
CC(C)=C(COC1CCC(C)(C)CC1)[B-](F)(F)F	2301863739	GVCZNFKHGGJLJL-UHFFFAOYSA-N	263.132	4.695	70	10	CJIE	
CC(C)(C)[C@H]1CCC[C@](O)(c2cccc3[nH]ccc23)CC1	159452566	LWSWBZJUHNMBME-IFXJQAMLSA-N	285.431	4.982	70	10	CJIE	
Cc1cccc([C@H](O)c2cc3cccc(F)c3o2)c1Cl	159511416	NCMJNYXZTSRYTM-HNNXBMFYSA-N	290.721	4.615	70	10	CJIE	
CCSCC[C@@H](C)N[C@@H](C)c1c(C)cc(C)cc1C	159976628	GFOOFLPPBQZVCM-CVEARBPZSA-N	279.493	4.794	70	10	CJIE	
CCCc1ccc(C(=O)C2C3CC4CC(C3)CC2C4)cc1	160111453	GRKQEEGYDAFUES-UHFFFAOYSA-N	282.427	4.894	70	10	CJIE	
CC[C@@H](NC1=NCC2(CCCC2)CS1)C1CCCCC1	160235825	URMAGFRRLPSCDU-OAHLLOKOSA-N	294.508	4.598	70	10	CJIE	
Cc1cccc(C(=O)c2c(C)[nH]c3ccccc23)c1Cl	160264088	MDJPZAHBQSVSAB-UHFFFAOYSA-N	283.758	4.669	70	10	CJIE	
O[C@@H](c1ccc(Cl)c2cccnc12)C1CCCCC1	160419929	UQLBMNBSXQQDBR-MRXNPFEDSA-N	275.779	4.502	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](O)c1c(C)oc(C)c1C	160987426	FMFJAFFLPRFROF-LJQANCHMSA-N	280.367	4.748	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)c1cccc(C)c1	161422573	VQIIGKXQTRVZAI-SFHVURJKSA-N	257.421	4.926	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1N[C@H](C)Cc1cccs1	216628626	SWGBOAVWMSSFJO-ABFRBSLYSA-N	279.493	4.730	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@@H](N)[C@@H](Cc2ccc(Cl)cc2)C1	217746983	DTVDMDLRPXCAJX-SQWLQELKSA-N	279.855	4.672	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@H](O)[C@@H](Cc2cccc(Cl)c2)C1	218307873	SSIRPMRJJBFECR-LZWOXQAQSA-N	280.839	4.706	70	10	CJIE	
CCCN[C@H](CO[C@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(C)(C)C	218783673	SOEFOXICDSYCGM-XWTMOSNGSA-N	297.527	4.878	70	10	CJIE	
F[B-](F)(F)/C=C\c1cc(C(F)(F)F)ccc1Cl	380912087	NBMUBFFUJAITJI-ARJAWSKDSA-N	273.392	4.759	70	10	CJIE	
Cc1ccc([C@@H]2Oc3c(Cl)cccc3N[C@H]2C)cc1	160529000	AJDRMXNAUWYIHI-XHDPSFHLSA-N	273.763	4.583	70	10	CJIE	
CC(C)(C)c1ccc([C@@H](O)c2cc(F)cc(Cl)c2)cc1	161222963	NBFYGIMUDWWQPQ-MRXNPFEDSA-N	292.781	4.858	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1ccc2ncccc2c1	161363380	ZIPKTPZRTNLGNW-IBGZPJMESA-N	280.415	4.776	70	10	CJIE	
CC(C)Cc1c(CN)oc2c1cc(Cl)c1ccccc12	161436388	PYWLNFBPIKDRQZ-UHFFFAOYSA-N	287.790	4.897	70	10	CJIE	
CCCCc1ccc(NC(=O)Nc2cccs2)cc1	217305726	QIVNEKYYBMWXHX-UHFFFAOYSA-N	274.389	4.735	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCc1cc(F)c(F)c(F)c1	217518806	HTHOTMJAIYCOIE-FFSVYQOJSA-N	299.380	4.654	70	10	CJIE	
CCN[C@H]1CC[C@H](CC)C[C@@H]1Oc1cccc(C(C)C)c1	218766567	NUPVWVCYVCIMRD-SNRMKQJTSA-N	289.463	4.746	70	10	CJIE	
CC(C)(C)Sc1ccccc1/C=C\[B-](F)(F)F	385904894	GRCGGWZMXLEJGS-HJWRWDBZSA-N	259.125	4.977	70	10	CJIE	
F[B-](F)(F)C=Cc1cccc(SC(F)(F)F)c1	1911651879	GFHRPXCPUYKKTO-UHFFFAOYSA-N	271.014	4.698	70	10	CJIE	
C[C@H](N[C@@H](C)[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(Cl)cc1	159978289	IKQABFZMPZCZEC-VERFIZQUSA-N	275.823	4.591	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](N)c1c(F)cccc1Cl	160855684	VZNWHLXQWVCGOA-SFHVURJKSA-N	299.776	4.989	70	10	CJIE	
CCCc1ccc2oc(CNC3CC3)c(CCC)c2c1	161453716	YZOSYOJETLRBBT-UHFFFAOYSA-N	271.404	4.590	70	10	CJIE	
Cc1cc(Cl)c2oc(CNC3CC3)c(C(C)C)c2c1	161460772	WNOSKMFIKZUPNE-UHFFFAOYSA-N	277.795	4.770	70	10	CJIE	
CCNC[C@]1(O[C@@H]2C[C@@H](C)CC(C)(C)C2)CCC[C@@H](C)C1	218753786	ICPRFPWLISHQDZ-MTNOOBJLSA-N	295.511	4.776	70	10	CJIE	
C[C@H]1CCCC[C@H]1Oc1nc2ccccc2cc1CCl	20469275	QEMWWJXWKMUGPH-BLLLJJGKSA-N	289.806	4.931	70	10	CJIE	
CCCCC1CCC(N)([C@H]2C[C@H]2c2ccccc2)CC1	159549049	DCDBVCWDPLSLET-FTJRRQOFSA-N	271.448	4.868	70	10	CJIE	
CCCCC[C@H](NCCC)C1(OC)CCCCCC1	159905554	QNOGTKXZEIOOHE-INIZCTEOSA-N	269.473	4.674	70	10	CJIE	
CN[C@H](Cc1ccccc1)c1c(C)ccc2ccccc12	160886098	NCOLDZDXAALBDD-LJQANCHMSA-N	275.395	4.651	70	10	CJIE	
CC[C@@H](C)C[C@H](O)c1ccc(Br)cc1Cl	161051373	MSBPAUHSWFPDAX-PELKAZGASA-N	291.616	4.572	70	10	CJIE	
CCCCC[C@@H](Cc1ccc(C(C)(C)C)cc1)NC	161289018	DSPDWCYPNMWZCJ-KRWDZBQOSA-N	261.453	4.695	70	10	CJIE	
CCNCc1oc2c(C)ccc(Cl)c2c1C(C)(C)C	161496139	WQPOAFBZWXOAKT-UHFFFAOYSA-N	279.811	4.802	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1Cc1ccc(Cl)s1	217761425	QJYAGQSEBOGPEK-MBNYWOFBSA-N	299.911	4.994	70	10	CJIE	
Cc1cc(Br)c(F)c([C@@H]2C[C@@H]2[B-](F)(F)F)c1	1975298863	OPSRQJNAAMSEES-XPUUQOCRSA-N	295.890	4.602	70	10	CJIE	
CC(C)Cc1ccc([C@H]2CCNC[C@@H]2C2CCCC2)cc1	160108826	OGKVMCFLQASAAF-WOJBJXKFSA-N	285.475	4.768	70	10	CJIE	
Cc1cc(Cl)cc([C@H](N)Cc2ccc(F)cc2Cl)c1	160632697	ITROWECYFYLNRK-OAHLLOKOSA-N	298.188	4.683	70	10	CJIE	
CCN[C@H](Cc1ccc(C(C)(C)C)cc1)[C@H](C)C1CC1	161262299	YVOOPVHQWGNAMR-RDTXWAMCSA-N	273.464	4.551	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC1(CNC2CC2)CCCC1	218749474	LDKAFCZYFRISDQ-NJAFHUGGSA-N	293.495	4.529	70	10	CJIE	
CCC[C@H]1CC[C@H](COc2ccccc2[B-](F)(F)F)CC1	2193122207	LKGDJGASTLXHHF-HDJSIYSDSA-N	299.165	4.726	70	10	CJIE	
CC(C)=C(CN(C)C[C@]12CCCC[C@H]1CC2)[B-](F)(F)F	2340151280	AOPUCKBODZOKIR-DZGCQCFKSA-N	288.186	4.612	70	10	CJIE	
N[C@H](CC1CCCCC1)c1ccccc1C(F)(F)F	160977239	FRLGHGNEMGHXGP-CQSZACIVSA-N	271.326	4.676	70	10	CJIE	
CCN[C@@H](CC1CCCCC1)c1cccc(C)c1F	161061105	YURAXBZKVBVJSB-INIZCTEOSA-N	263.400	4.755	70	10	CJIE	
CCN[C@H](CC1CCCCC1)[C@H]1C[C@@H]1c1ccccc1	161086679	OCCOAAVLRZCWSL-CEXWTWQISA-N	271.448	4.739	70	10	CJIE	
C[C@@H]1C[C@@H]1C(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C	161474942	RKRHBEWYPCECFX-OCCSQVGLSA-N	270.416	4.874	70	10	CJIE	
CCCNCc1oc2c(F)ccc(C)c2c1CC(C)C	161488534	IWRXQJDBHLCRTI-UHFFFAOYSA-N	277.383	4.578	70	10	CJIE	
CCN[C@H]1CC[C@H](CC)C[C@@H]1Cc1cccc(Cl)c1	217672050	FNDCKKMOYIEKTN-LXZKKBNFSA-N	279.855	4.687	70	10	CJIE	
CCC[C@@H]1CC[C@H](NC)[C@@H](Cc2cc(C)ccc2C)C1	217700341	WTOPLHJFONGABJ-QRQLOZEOSA-N	273.464	4.650	70	10	CJIE	
CC(C)Oc1cccc([C@@H](C)NC2[C@@H](C)CCC[C@H]2C)c1	217701139	XOBYHYJHWAFNLF-ONXYJPLBSA-N	289.463	4.949	70	10	CJIE	
CCC[C@@H]1CC[C@H](N)[C@@H]([C@@H]2CCOC3(CCCCC3)C2)C1	218472526	AVKRXKNYFQGYNM-TVFCKZIOSA-N	293.495	4.660	70	10	CJIE	
F[B-](F)(F)C1CCN(Cc2ccc3ccccc3c2)CC1	2239546412	YNAFRFYZJKFLQA-UHFFFAOYSA-N	292.133	4.653	70	10	CJIE	
CCNCc1sc(C2CCC(C)(C)CC2)nc1C1CC1	159484189	LBZFICNRULVWHG-UHFFFAOYSA-N	292.492	4.814	70	10	CJIE	
O[C@@H](Cc1cccc(F)c1F)c1cccc(C2CCC2)c1	160165948	CKZVDTYESCAWPR-KRWDZBQOSA-N	288.337	4.508	70	10	CJIE	
CC[C@H](Nc1ccc(C)c(N(C)C)c1)c1ccc(C)cc1	161220934	FQLWHUXOJSIJDL-SFHVURJKSA-N	282.431	4.933	70	10	CJIE	
Cc1cc2oc(CNC(C)C)c(C(C)C)c2cc1C	161249819	SDLIRYAKFHRZNI-UHFFFAOYSA-N	259.393	4.671	70	10	CJIE	
CC(C)CNC[C@@H](C1=CCCCC1)C1CCCCC1	161471512	XDWXPJSDHJLGSN-SFHVURJKSA-N	263.469	4.929	70	10	CJIE	
CC(C)CC1(c2nc3c([nH]2)CCC[C@H]3C)CCCC1	216969900	SAFDSGNGKYVCJE-CYBMUJFWSA-N	260.425	4.707	70	10	CJIE	
CCCCC1CC(N(C)CC(=C(C)C)[B-](F)(F)F)C1	2317989718	MJRUOLMEYHYQBD-UHFFFAOYSA-N	276.175	4.610	70	10	CJIE	
CC[C@@H](OC[B-](F)(F)F)c1ccc(C(F)(F)F)cc1	2320746359	DXQWWKCVWSVKNY-SNVBAGLBSA-N	285.016	4.560	70	10	CJIE	
CC(C)=C(CN1CCCCc2ccccc21)[B-](F)(F)F	2340159255	FSPGJYMRFMQNMU-UHFFFAOYSA-N	282.138	4.552	70	10	CJIE	
CCCCC[C@H](NCCC)C1(OCC)CCCCC1	159881350	XGNZHFQQZMMKPW-INIZCTEOSA-N	269.473	4.674	70	10	CJIE	
CCSCC[C@@H](C)N[C@H](C)c1c(C)cc(C)cc1C	159976941	GFOOFLPPBQZVCM-HZPDHXFCSA-N	279.493	4.794	70	10	CJIE	
Fc1ccc(Cl)cc1CNCc1cccc2ccccc12	160811193	QHFQLDCHMRZXTK-UHFFFAOYSA-N	299.776	4.922	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1cc(F)cc(F)c1	161349823	GNQIKVMYIYMZBL-INIZCTEOSA-N	265.347	4.506	70	10	CJIE	
C[C@H]1CCC[C@H](C)C1N[C@H](C)c1ccccc1OC(F)F	217992208	MJMGNKJQRXSHTC-RWMBFGLXSA-N	297.389	4.763	70	10	CJIE	
C[C@H]1CCC[C@H]1N[C@H](C)c1ccc(Cl)c(Cl)c1	218209293	QNTHDZGHZGMHRE-IMSIIYSGSA-N	272.219	4.833	70	10	CJIE	
Cc1ccc(C(=O)[C@@H](C)O[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1	218412534	PIUZLMYLGKSSNU-BFYDXBDKSA-N	288.431	4.798	70	10	CJIE	
CCCN[C@H]1CC[C@@H](CCC)C[C@@H]1N1CCCCCCC1	218614221	UEMSAWSJTOGDOM-QYZOEREBSA-N	294.527	4.590	70	10	CJIE	
C/C=C/CCCOc1ccc2ccccc2c1[B-](F)(F)F	2179727398	CRAQAKPGUDRZCQ-NSCUHMNNSA-N	293.117	4.629	70	10	CJIE	
C=CCCCCCCCCN1CC[C@@H]([B-](F)(F)F)C1	2319656531	UMIKCJGIUGATHO-CQSZACIVSA-N	276.175	4.826	70	10	CJIE	
C[C@@H]1CC[C@H](C(C)(C)[C@@H]2C[C@@H]2c2ccccc2)C(=O)C1	159514056	BVBQHUSLPOCYNH-MXASKKJJSA-N	270.416	4.822	70	10	CJIE	
CCCCC[C@@H](NCC)C1(OC)CCC(C)(C)CC1	159902414	FMWIIUBTSZAAHT-OAHLLOKOSA-N	269.473	4.530	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](Nc1ccc3[nH]ccc3c1)CC2	160764643	AAJIASPSZAKLTI-SFHVURJKSA-N	262.356	4.576	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)c1ccc(Cl)c(N)c1	161108291	GNBGRJJMTRPMGY-UHFFFAOYSA-N	295.769	4.615	70	10	CJIE	
CC[C@H](C)c1ccccc1NC(=O)NCc1cccc(C)c1	217314564	QGRRZOQNAIWJNK-HNNXBMFYSA-N	296.414	4.830	70	10	CJIE	
COc1ccc2nc(N[C@@H]3CCC[C@H](C)[C@@H]3C)sc2c1	217917778	LKUVSNMJWKBGDW-GMXVVIOVSA-N	290.432	4.542	70	10	CJIE	
CCN[C@H](c1ccccc1OCC)[C@H]1CCC[C@@H](C)C1	217976402	GRYSCNXZPUQCEF-VKJFTORMSA-N	275.436	4.562	70	10	CJIE	
C[C@@H]1CCCC[C@@H]1CN[C@H](c1ccc(F)cc1)C1CC1	218152653	SXZJHAZJVXJCAQ-QBIMZIAESA-N	275.411	4.693	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@H](CN)[C@@H](c2cc(F)ccc2Cl)C1	218520272	ULBZSPUWXZYPIS-BZPMIXESSA-N	297.845	4.984	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(OCC[C@@H]2CCC[C@H](C)C2)c1	2279818489	XIGWLOHBYYUWMI-JSGCOSHPSA-N	299.165	4.645	70	10	CJIE	
Fc1cc(Cl)cc(CNc2c(F)cc(F)cc2F)c1	160954717	GEVAEWZNNQENFG-UHFFFAOYSA-N	289.659	4.509	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](O)c1cccc(F)c1F	160976529	UXPZAQCHWCZJSN-SFHVURJKSA-N	284.305	4.508	70	10	CJIE	
Cc1cc(Cl)cc2c(CC(C)C)c(CNC3CC3)oc12	161179962	CXFVHUTXWGSQDV-UHFFFAOYSA-N	291.822	4.845	70	10	CJIE	
CCOc1ccc([C@@H](C)N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1	217731701	PVDUOBISKOOGDX-BFYDXBDKSA-N	289.463	4.951	70	10	CJIE	
C[C@@H](c1ccccc1)c1sc(N)nc1-c1ccccc1	217752711	OUKXJIZTAHQUPX-LBPRGKRZSA-N	280.396	4.544	70	10	CJIE	
CCC(C)(C)C1CCC(O)(c2cccc3[nH]ccc23)CC1	159433091	DWGIWAATPKRMHB-UHFFFAOYSA-N	285.431	4.982	70	10	CJIE	
CCN[C@@H](C1=CCCCO1)C1CCC(C(C)(C)C)CC1	160045253	KXALVJIPRXMANV-VMBOVVBDSA-N	279.468	4.511	70	10	CJIE	
CCN[C@H](Cc1ccc(Cl)cc1Cl)C1C[C@H]2C[C@@H]2C1	160454891	VJGQFUPQTHLPTK-XHBSWPGZSA-N	298.257	4.560	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](N)c1ccccc1Cl	160850564	MWZOKVDHCQHDHU-SFHVURJKSA-N	281.786	4.850	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)s1)c1ccc(C)cc1F	161186412	LRGSYUREAAAQQO-QGZVFWFLSA-N	291.435	4.651	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)c1c(F)cccc1F	161433914	XAMCRJGQSKRTFQ-INIZCTEOSA-N	279.374	4.896	70	10	CJIE	
Cc1cc(Cl)c(N[C@H]2C[C@@H]3CC=C[C@H]32)c2cccnc12	218042039	JKIYTSHSGDPISL-ZOWXZIJZSA-N	284.790	4.573	70	10	CJIE	
CCN[C@@H]1CC[C@@H](C(C)(C)CC)C[C@@H]1N(C)CCC(C)C	218669335	VDSHZCPXMDRTQG-KURKYZTESA-N	296.543	4.547	70	10	CJIE	
C=CCCCCCCCCCC1(S(=O)(=O)Cl)CC1	2086238069	XFGZOBFOLGSYHE-UHFFFAOYSA-N	292.872	4.785	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(OC[C@@H]2CCC=CCCC2)c1	2163721106	MMFRJCJYZFAVJB-CQSZACIVSA-N	297.149	4.565	70	10	CJIE	
CC[C@@H](C1CCCC1)N(C)CC(=C(C)C)[B-](F)(F)F	2317857145	BJBGNRCXQLULPO-AWEZNQCLSA-N	276.175	4.610	70	10	CJIE	
CO[C@@H](C)c1cccc(N[C@H](C)c2ccccc2C)c1	159425002	KFOVAIQECGZJDY-CABCVRRESA-N	269.388	4.876	70	10	CJIE	
COc1cc(N[C@@H]2CCC[C@H](C(C)C)CC2)ccc1F	159971505	YPPVJJTVQAKEJD-UONOGXRCSA-N	279.399	4.851	70	10	CJIE	
CCCc1ccc([C@@H](N)C2C3CC4CC(C3)CC2C4)cc1	160125135	CJKWHSFRFAIRCE-DQBYHPFJSA-N	283.459	4.711	70	10	CJIE	
C[C@H](Nc1cccc(N(C)C)c1)c1cc2ccccc2o1	161072185	LYRJIWFZPFMFSK-ZDUSSCGKSA-N	280.371	4.672	70	10	CJIE	
C[C@H]1CCC[C@H]([C@@H](O)Cc2c(Cl)cccc2Cl)C1	217922220	KPMUQRVGDYBBRS-PGUXBMHVSA-N	287.230	4.723	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](CCCOc2ccccc2)C1	218736898	BMKICGJTZIGYAI-SQNIBIBYSA-N	289.463	4.637	70	10	CJIE	
CCCC[C@H](CC)CN1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2073772169	NJZHRAPBDJDLAQ-MJBXVCDLSA-N	276.175	4.516	70	10	CJIE	
Cc1sc(C=C[B-](F)(F)F)c(Br)c1C	2209324107	GVIJFCZQUYTEKW-UHFFFAOYSA-N	283.929	4.527	70	10	CJIE	
CCNC[C@H](C[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1	159668543	WKDFNUMIFWXNFZ-HSALFYBXSA-N	279.427	4.574	70	10	CJIE	
CCN[C@@H](c1ccc(Cl)cc1)C(CC)(CC)OCC	159873083	PYNAQJROLJNETK-HNNXBMFYSA-N	283.843	4.586	70	10	CJIE	
Cc1ccccc1-c1c(-c2cccc(C)c2Cl)n[nH]c1N	160347572	LZTHMDQBSVYBMY-UHFFFAOYSA-N	297.789	4.596	70	10	CJIE	
Cc1ccc(C)c([C@H]2CNc3ccc(Cl)cc3O2)c1	160559831	VZPHPLUTFKFYMT-MRXNPFEDSA-N	273.763	4.502	70	10	CJIE	
CN[C@H](CC1=CCCCC1)Cc1csc2ccccc12	161279936	SYMTZHWRLITRQP-MRXNPFEDSA-N	285.456	4.922	70	10	CJIE	
CCCc1c(CNC)oc2c(C(C)C)ccc(C)c12	161409025	YBKBOERWPCFCIM-UHFFFAOYSA-N	259.393	4.537	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)c1cccc(F)c1F	161421108	HXNMYWFWLSWYFD-MRXNPFEDSA-N	279.374	4.896	70	10	CJIE	
Cc1cc(F)ccc1N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218073760	QLNCSQNWXBLSHI-ISTRZQFTSA-N	261.384	4.761	70	10	CJIE	
Cc1cc(N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)ccc1F	218197073	FLOYJMHXRWMDGT-ISTRZQFTSA-N	261.384	4.761	70	10	CJIE	
CC[C@@H](C)[C@@H](c1ccccc1)[C@@H](N)c1sccc1C	218302419	KUDWRPXKJWTVPP-UHOFOFEASA-N	273.445	4.886	70	10	CJIE	
c1ccc2c([C@@H]3CCNC[C@@H]3C3CCCC3)csc2c1	160111791	KTHJAYHUCUXYBU-GDBMZVCRSA-N	285.456	4.785	70	10	CJIE	
Cc1ccc(C(=O)c2c(C)ccc3ccccc23)c(C)c1	160825032	NUFVTLCMVYGPIV-UHFFFAOYSA-N	274.363	4.996	70	10	CJIE	
O=C(CC1=CCCCC1)c1ccc2ccccc2c1	161021908	COOBFOYAYRVIIS-UHFFFAOYSA-N	250.341	4.913	70	10	CJIE	
Cc1ccc2ccccc2c1CC[C@H](C)CCNC1CC1	161112840	JRNBDKCVYRQASL-HNNXBMFYSA-N	281.443	4.859	70	10	CJIE	
CCCCc1ccc([C@H](C)NCCCC2CC2)cc1	161465834	RNIVLKINMYIIGF-HNNXBMFYSA-N	259.437	4.870	70	10	CJIE	
Cc1cc(-c2cc([C@@H](C)N)cs2)ccc1Br	217256118	BWOILYJNWKSRBW-SECBINFHSA-N	296.233	4.506	70	10	CJIE	
C[C@H]1CCC[C@@H](CCN2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)C1	2334032343	XJKHDAOHEIPZDB-XQLPTFJDSA-N	288.186	4.516	70	10	CJIE	
CN[C@H](c1cc(C)sc1C)C1C2CC3CC(C2)CC1C3	160133707	IPLKSDVNDBYDAI-NEPSPCKVSA-N	289.488	4.698	70	10	CJIE	
Cc1ccc(C)c(C[C@H](O)c2cccc(C3CCC3)c2)c1	160207052	PNQNKWJNOICUAD-FQEVSTJZSA-N	280.411	4.847	70	10	CJIE	
Cc1cccc(C[C@H](O)c2c(C)ccc3ccccc23)c1	161009949	CZFHLRAZWXQZMG-IBGZPJMESA-N	276.379	4.733	70	10	CJIE	
C[C@H](C[C@H](N)Cc1ccc(C(C)(C)C)cc1)C(C)(C)C	161270038	IHMLWVYYAYJQLR-PBHICJAKSA-N	275.480	4.926	70	10	CJIE	
CCCN[C@H](Cc1ccc(F)cc1)[C@@H]1CCC[C@@H](C)C1	218027418	QGTQPHFXFMPQPH-QGPMSJSTSA-N	277.427	4.563	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](c2cccc(C(F)(F)F)c2)C1	218745432	VGOBTFDXDMZWIZ-IVMMDQJWSA-N	299.380	4.964	70	10	CJIE	
C[C@@H]1C[C@@H]1CCCCCN1CC[C@](C)([B-](F)(F)F)C1	2319704217	FLXUFZLCLHYZLD-RDBSUJKOSA-N	276.175	4.516	70	10	CJIE	
CC[C@@H](c1ccccc1)[C@@H](N)Cc1ccc(F)cc1Cl	160584930	BIEAEJFVOMKDQC-RDJZCZTQSA-N	291.797	4.543	70	10	CJIE	
CO[C@@]1(C(=O)c2ccc(C(C)C)cc2)CCC[C@H](C)C1	161114584	RPMWUEKWFRGLEW-KSSFIOAISA-N	274.404	4.588	70	10	CJIE	
CN[C@@H](Cc1ccc(C(C)(C)C)cc1)c1cc(C)oc1C	161260090	VVGQLLHNDPISIR-SFHVURJKSA-N	285.431	4.697	70	10	CJIE	
CCCCCC[C@H](C)B(c1ccccc1)c1ccccc1	196369194	XAETVWHUOZWMNT-SFHVURJKSA-N	278.248	4.656	70	10	CJIE	
Cc1cc(O)ccc1N[C@H]1C[C@H](C)Sc2sccc21	217005668	CYNSPSGEONXRJT-HZMBPMFUSA-N	291.441	4.800	70	10	CJIE	
CCC[C@H]1CC[C@H](NC)[C@@H](Cc2ccc(CC)s2)C1	217711179	JABGWPDMMUJJCY-VBQJREDUSA-N	279.493	4.657	70	10	CJIE	
FC(F)(F)Sc1ccccc1N[C@H]1C[C@H]2CC=C[C@@H]12	218047807	XIPJSJZVTSVMND-FOGDFJRCSA-N	285.334	4.675	70	10	CJIE	
CC[C@H]1CCCC[C@H]1O[C@@]1(CNC2CC2)CCC[C@@H](C)C1	218747575	IQDTVMRUYOFJHN-JFRXWTBNSA-N	293.495	4.673	70	10	CJIE	
CC1(C)CCC[C@@H](CN2CC[C@@](C)([B-](F)(F)F)C2)C1	2319726753	LWJGTEGODDRDMQ-TZMCWYRMSA-N	276.175	4.516	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCN(C[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1	2342456280	CIQRQNDJUWMSSF-APIJFGDWSA-N	288.186	4.516	70	10	CJIE	
CN(C)c1cccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1	161105066	IDHPYHWJNHFLAX-ZMSDIMECSA-N	272.436	4.523	70	10	CJIE	
CCCOc1ccc([C@@H](NC)[C@@H]2CCC[C@@H](C)C2)cc1	217969949	SGILMGZSQKMJBF-QGPMSJSTSA-N	275.436	4.562	70	10	CJIE	
C[C@@H](N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)c1ccsc1	218144927	ZGBDPIBQQNSKSW-UZMCECQYSA-N	263.450	4.614	70	10	CJIE	
C=C(CCN1CCC[C@@H]1C1CCCCCC1)[B-](F)(F)F	1876715129	HCSPXZJVIMRIAF-OAHLLOKOSA-N	288.186	4.754	70	10	CJIE	
CNC[C@H](Cc1cccc(Cl)c1)[C@@H]1C[C@@H]1c1ccccc1	159397250	UNMUHMNIHVTNJK-UHOSZYNNSA-N	299.845	4.522	70	10	CJIE	
CC(C)c1ccccc1NC1=NCC2(CCCC2)CS1	160212579	YRWBKIZHPBMNED-UHFFFAOYSA-N	288.460	4.885	70	10	CJIE	
CN[C@@H](c1ccsc1)c1c(C)ccc2ccccc12	160902806	WICNTCTWCYTCAY-KRWDZBQOSA-N	267.397	4.519	70	10	CJIE	
CCc1ccc([C@H](CC)Nc2cccc(N(C)C)c2)cc1	161081620	HACMOIPTRZCSNA-IBGZPJMESA-N	282.431	4.878	70	10	CJIE	
CCCCCC[C@@H](C)O[C@@]1(CNC)CCC[C@@H](C)C1	218756442	QOHWGIVXDJKKEA-ZACQAIPSSA-N	269.473	4.530	70	10	CJIE	
C=C(CCOCC1(C)CC2(CC(F)(F)C2)C1)[B-](F)(F)F	2230618043	JYBDUQCTSMCRTK-UHFFFAOYSA-N	297.096	4.552	70	10	CJIE	
CCCCC[C@H](NCC)c1ccccc1OC(F)F	159706425	JNJSMYHNXMGQHG-ZDUSSCGKSA-N	271.351	4.519	70	10	CJIE	
Cc1ccc(NCc2ccccc2C2CC2)cc1N(C)C	161146608	TTYRIZXMDPGLLB-UHFFFAOYSA-N	280.415	4.551	70	10	CJIE	
Cc1ccc(N[C@H]2C[C@H](C)CC(C)(C)C2)cc1N(C)C	161222472	QURQJMXYOPMGBW-BBRMVZONSA-N	274.452	4.688	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)c1ccc(C(F)(F)F)cc1	161301282	LKCGTUFFBFXDLA-HNNXBMFYSA-N	283.337	4.856	70	10	CJIE	
CCC[C@@H]1CC[C@@H](N)[C@@H](CCCc2ccccc2)C1	217686789	OZTZMIWGOKMECJ-FGTMMUONSA-N	259.437	4.553	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCCCNc1ccccc1	217887229	NVKINLNAXILJNA-QRQLOZEOSA-N	289.463	4.966	70	10	CJIE	
COc1ccc(Cl)c(N[C@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c1	218166947	FMUHZKYSHFSWTJ-UTQUFZRUSA-N	291.822	4.585	70	10	CJIE	
C=CCCCCCCCOc1ccc([B-](F)(F)F)cc1C	2235533306	SSCBWPQFSYRWIC-UHFFFAOYSA-N	299.165	4.955	70	10	CJIE	
O[C@H](Cc1cccc(F)c1F)c1ccccc1C1CCC1	160001040	FGCVMVKXFZJBBL-QGZVFWFLSA-N	288.337	4.508	70	10	CJIE	
O[C@H](c1ccccc1C1CCC1)[C@H]1C[C@H]1c1ccccc1	160009912	DUHGMHUEXHQQDT-SLFFLAALSA-N	278.395	4.791	70	10	CJIE	
CCN[C@H](Cc1ccc(Cl)s1)c1cc(C)ccc1F	160864225	PPDVZMSLSKOKCN-CQSZACIVSA-N	297.826	4.742	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](O)C1(C)CCCC1	161002074	JICRUNBKHHTNCW-QGZVFWFLSA-N	254.373	4.762	70	10	CJIE	
CCCc1ccc2oc(CNC3CC3)c(C(C)C)c2c1	161456066	KTFWWKBJYZVYDI-UHFFFAOYSA-N	271.404	4.761	70	10	CJIE	
C[C@@H](CCN[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)c1ccccc1	217573933	FFCNMLLQBIKPHH-DAJYORATSA-N	283.459	4.595	70	10	CJIE	
Cc1cccc2c1OCCC[C@H]2N[C@H]1CCC[C@@H](C)[C@H]1C	217895618	OZUXRKRYOZLWOU-LFVTVUPYSA-N	287.447	4.623	70	10	CJIE	
CCCN[C@@H](c1ccc(F)cc1)[C@@H]1CCC[C@@H](C)C1	218028100	GEGUNRRVRWVOMC-UNEWFSDZSA-N	263.400	4.693	70	10	CJIE	
C[C@@H](CCNC1[C@@H](C)CCC[C@@H]1C)c1ccccc1	218202449	ZVCYBPSBGCTZAM-JYJNAYRXSA-N	259.437	4.595	70	10	CJIE	
CC[C@H]1CC[C@H](O)[C@@H](Cc2ccc(Cl)c(Cl)c2)C1	218283637	WKBMNCNOEXSZTQ-NVBFEUDRSA-N	287.230	4.723	70	10	CJIE	
CCCCCN(C(C)C)[C@@H]1C[C@@H](CC)CC[C@@H]1NCCC	218690128	JJIBBYPVOSSHAH-GBESFXJTSA-N	296.543	4.834	70	10	CJIE	
CC(=C[B-](F)(F)F)c1cc(Cl)cc(Cl)c1	2209929421	XJDIZSJHCLMVLY-UHFFFAOYSA-N	253.867	4.783	70	10	CJIE	
CC(C)=C(CN(C)[C@@H]1CCCCC1(C)C)[B-](F)(F)F	2317844303	TUQWGVRMHYNDPZ-CYBMUJFWSA-N	276.175	4.610	70	10	CJIE	
CCCNCC(CC)(CC)[C@@H]1C[C@H]1c1ccccc1	159424739	NCKDSCWGUJJEHF-DLBZAZTESA-N	259.437	4.596	70	10	CJIE	
C[C@@H]1CCC[C@@H](c2nc(C3CC3)c(CNC3CC3)s2)C1	159576609	IEBDHZOMQGAAGV-DGCLKSJQSA-N	290.476	4.566	70	10	CJIE	
CC(C)(C)NC[C@@H](Cc1ccc(F)c(F)c1)C1CCCC1	159998931	XAPSPWPKFORFOR-OAHLLOKOSA-N	295.417	4.702	70	10	CJIE	
c1ccc2c([C@@H]3CCNC[C@H]3C3CCCC3)cccc2c1	160121911	XAMYMRMPDRBKMM-PMACEKPBSA-N	279.427	4.723	70	10	CJIE	
O[C@@H](c1cccc(C2CCC2)c1)c1cc2c(s1)CCCC2	160181950	BTUFVOSDUDQCFJ-IBGZPJMESA-N	298.451	4.976	70	10	CJIE	
O[C@@H](CC1=CCCCC1)c1ccc(C(F)(F)F)cc1	161078778	JDCPSEQTRGASJN-AWEZNQCLSA-N	270.294	4.629	70	10	CJIE	
Cc1cc(C)c([C@@H](C)Nc2cccc(N(C)C)c2)c(C)c1	161121495	KZYUBUCCTOJMRB-MRXNPFEDSA-N	282.431	4.851	70	10	CJIE	
CCCc1cccc(C(=O)[C@@]2(OCC)CCC[C@@H](C)C2)c1	161167097	MFKGAKUCZXVJNB-DNVCBOLYSA-N	288.431	4.807	70	10	CJIE	
CC(C)c1nc(-c2cc(F)cc(Cl)c2)c(N)n1C(C)C	161291435	RDBCZJALUSXVPL-UHFFFAOYSA-N	295.789	4.629	70	10	CJIE	
CSc1ccccc1[C@H](N)Cc1ccc(C(C)(C)C)cc1	161297770	VUOPRTPLRBYPGN-QGZVFWFLSA-N	299.483	4.949	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1cc(F)ccc1C	161314036	TTYAKTTYMOLSTA-QGZVFWFLSA-N	261.384	4.675	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1Cc1ccc(C)c(C)c1	217756273	HJLHAYYEJPAELQ-GBESFXJTSA-N	287.491	4.896	70	10	CJIE	
CN[C@@H]1CCCCCCCCCC[C@H]1N1CCC[C@@H](C)C1	218594502	XFKLOWCWTBBFNH-GUDVDZBRSA-N	294.527	4.590	70	10	CJIE	
C=CCC[C@@H](C)Oc1ccc2cc([B-](F)(F)F)ccc2c1	2158323640	KJTWUOLVMGPUSS-GFCCVEGCSA-N	293.117	4.628	70	10	CJIE	
CC(C)=C(CN(C)[C@H]1CCC2(CCCC2)C1)[B-](F)(F)F	2340328084	IWSRXNZUSVJBCP-ZDUSSCGKSA-N	288.186	4.754	70	10	CJIE	
CC(C)c1ccccc1CN1CC[C@@](C)([B-](F)(F)F)C1	2342544740	HBVYACJNDVSKAM-OAHLLOKOSA-N	284.154	4.623	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@H](CN)[C@H]([C@@H]2C[C@@H]2c2ccccc2)C1	159646831	IRASQJNNYGNNOM-NNIGNNQHSA-N	285.475	4.827	70	10	CJIE	
CO[C@H](C)[C@@H](C)Nc1ccc(C(C)C)cc1C(C)C	161181665	MRWPYNKJXLFCEM-ZIAGYGMSSA-N	263.425	4.769	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)c1ccccc1OC(C)C	161297448	RZNHKJFOXKFMPG-KRWDZBQOSA-N	273.420	4.625	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1ccccc1OCC	161324348	OJLFIGMNWIPGFP-KRWDZBQOSA-N	273.420	4.626	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1ccc2ncccc2c1	161363503	ZIPKTPZRTNLGNW-LJQANCHMSA-N	280.415	4.776	70	10	CJIE	
CC(C)c1c(CNC2CC2)oc2c(Cl)cc(F)cc12	161441106	PEBMEUUVQKBLKH-UHFFFAOYSA-N	281.758	4.601	70	10	CJIE	
CCC[C@H]1CC[C@@H](N)[C@@H](Cc2ccc(F)cc2Cl)C1	217692221	VFJALJBIZYCRPQ-NORZTCDRSA-N	283.818	4.565	70	10	CJIE	
CCCN[C@@H]1CC[C@@H](CCC)C[C@@H]1Cc1ccsc1	217729360	PLYDXQLXBFLWPU-DJIMGWMZSA-N	279.493	4.875	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCCNCC1CCCCC1	217895065	GMOJDAPDUOJYBG-WDSOQIARSA-N	295.511	4.634	70	10	CJIE	
CC(C)Cc1ccc([C@H](O)CO[C@@H]2CCC[C@@H](C)C2)cc1	218559705	RVAHQSLDVCZXPG-ATZDWAIDSA-N	290.447	4.514	70	10	CJIE	
CC(C)NCC1(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)CCCC1	218749364	KOVKWVIXKRLGMK-KSZLIROESA-N	295.511	4.775	70	10	CJIE	
CC(C)=C(CN(C)[C@H]1CCCCC[C@H]1C)[B-](F)(F)F	2317862717	CKLPNTJYHXDKRH-OCCSQVGLSA-N	276.175	4.610	70	10	CJIE	
CC(C)=C(CN(C)C1CC(C2CCCC2)C1)[B-](F)(F)F	2340161154	LHCCFCZDMCDZBX-UHFFFAOYSA-N	288.186	4.610	70	10	CJIE	
CC[C@H](c1ccccc1)[C@H](O)c1cc2cc(F)ccc2o1	159403117	YCALFMBHDPTYMR-QAPCUYQASA-N	284.330	4.799	70	10	CJIE	
Cc1cc(F)ccc1C[C@@H](O)c1cc2sccc2s1	159894318	GHXDDPHCPJLIGI-GFCCVEGCSA-N	292.400	4.686	70	10	CJIE	
CCSCC[C@@H](C)N[C@H]1CCC(C)(C)c2ccccc21	159980825	CTEDAJWERSOAPQ-PBHICJAKSA-N	291.504	4.920	70	10	CJIE	
CCN[C@@H](c1cnc2ccccc2c1)[C@H]1CCC[C@@H](C)C1	218577089	GHNINLPEXNLRLW-SIXWZSSISA-N	282.431	4.712	70	10	CJIE	
CC(C)=C(CN(C)[C@@H]1CCCC[C@@H]1C1CC1)[B-](F)(F)F	2340144004	IMEOTVXFIVKPNM-UKRRQHHQSA-N	288.186	4.610	70	10	CJIE	
CCCNCc1sc(CSC(C)(C)C)nc1C1CC1	159508809	FJHSAUDDZJBDQJ-UHFFFAOYSA-N	298.521	4.552	70	10	CJIE	
CC(C)NC[C@H]1CC[C@@H](C)C[C@H]1[C@@H]1C[C@@H]1c1ccccc1	159673548	SUCCYSQUQKFGIV-RUGGUXRKSA-N	285.475	4.841	70	10	CJIE	
CCSCC[C@@H](C)N[C@H](CC(C)C)c1ccccc1	160019377	XRPFSOREOGTOIR-NVXWUHKLSA-N	279.493	4.895	70	10	CJIE	
CCCN[C@H](Cc1ccc(F)cc1Cl)[C@H](C)C(C)C	160544543	ICBXZTKMICNSKQ-MLGOLLRUSA-N	285.834	4.682	70	10	CJIE	
CCN[C@@H]1c2ccccc2CCC[C@@H]1C[C@@H](C)CC	217626171	YTICUSDCQYTYII-LESCRADOSA-N	259.437	4.726	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NC)[C@@H](Cc2cc(C)ccc2C)C1	217700160	WTOPLHJFONGABJ-BHIYHBOVSA-N	273.464	4.650	70	10	CJIE	
CC[C@@H](N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)c1ccc(O)cc1	218071560	WLZANNIHWAHMMR-LKCYJCQHSA-N	287.447	4.648	70	10	CJIE	
Cc1cccc(CCN[C@H]2C[C@H](C)CC[C@H]2C(C)C)c1	218182231	WKWZODHEENWIQZ-NEWSRXKRSA-N	273.464	4.588	70	10	CJIE	
CCN[C@@H]1CC[C@H](C(C)(C)CC)C[C@@H]1N(CC)[C@@H](C)CC	218630128	YAEMKCZIKOFYEB-FJIDUMEYSA-N	296.543	4.690	70	10	CJIE	
C=C(CN(C1CCCCC1)C1CCCCC1)[B-](F)(F)F	236126767	RBQOMQQDWHCERI-UHFFFAOYSA-N	288.186	4.897	70	10	CJIE	
Fc1ccccc1-c1ccc(C=C[B-](F)(F)F)s1	1912968739	DYIYTSBUSZIHOV-UHFFFAOYSA-N	271.067	4.954	70	10	CJIE	
CNC[C@H](Cc1ccc(C(C)(C)C)cc1)C1CCCC1	159923279	SSSROCCCIROQPU-KRWDZBQOSA-N	273.464	4.552	70	10	CJIE	
CCO[C@@]1(c2nc(Cl)cc(C(C)C)n2)CCC[C@H](C)C1	160380891	XPHMVUQSQHYTRB-LRDDRELGSA-N	296.842	4.695	70	10	CJIE	
O[C@H](CC1=CCCCC1)c1ccccc1C(F)(F)F	161088024	PEURLSXNZQNEHT-CQSZACIVSA-N	270.294	4.629	70	10	CJIE	
CCc1ccc(C[C@@H](NC)[C@@H](CC)c2ccccc2)s1	161155182	ZNYDGRBFTVQVGB-ZWKOTPCHSA-N	287.472	4.635	70	10	CJIE	
Cc1cc(C)c2c(C(C)C)c(CNC3CC3)oc2c1C	161217748	ZVDOSQYDVIGZFO-UHFFFAOYSA-N	271.404	4.733	70	10	CJIE	
CO[C@@H](C(=O)c1cccc2ccccc12)C1CCCCC1	161434840	NSRNPVMPQQEYKD-LJQANCHMSA-N	282.383	4.618	70	10	CJIE	
CCC[C@H]1CC[C@@H](NC)[C@@H](Cc2ccc(C)c(C)c2)C1	217704255	AFASFJLPKLKGHJ-QXAKKESOSA-N	273.464	4.650	70	10	CJIE	
CC[C@@H]1CC[C@H](N)[C@@H](c2ccc(-c3ccccc3)cc2)C1	218427991	DPBYQOCBYNWFOX-YSGRDPCXSA-N	279.427	4.975	70	10	CJIE	
COc1ccc(Cl)cc1[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N	218541099	YZGFFMPFVMKBKF-LNSITVRQSA-N	295.854	4.606	70	10	CJIE	
CCNC[C@@H](O[C@@H]1CCC[C@@H](C)C1)c1ccc(Cl)cc1	218762612	RMKIUHDJJQVVQU-KBRIMQKVSA-N	295.854	4.586	70	10	CJIE	
CN[C@H](c1ccc(Cl)cc1)C1C2CC3CC(C2)CC1C3	160130974	OXWPRZBCZPNCGV-MVHGTJQLSA-N	289.850	4.673	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)c1cccc(F)c1	160824571	HSQCOJNPLJNGAP-UHFFFAOYSA-N	264.299	4.518	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1cccc2ncccc12	161360651	ALEZGBWNFWAUNB-LJQANCHMSA-N	280.415	4.776	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@H](N)[C@@H](Cc2ccccc2Cl)C1	217748191	FVLXYHCBDUOQLV-DZKIICNBSA-N	279.855	4.672	70	10	CJIE	
CC[C@@H](c1ccc(O)cc1)N1C[C@@H](C)Cc2ccccc21	217873907	MXODQZOKIKTWSQ-KSSFIOAISA-N	281.399	4.542	70	10	CJIE	
Cc1ccsc1[C@@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)[C@H](C)N	217898878	LSKULKJQEDNSOQ-BEAPCOKYSA-N	295.492	4.676	70	10	CJIE	
CC1CCC(NCCO[C@H]2C[C@H](C)CC[C@H]2C(C)C)CC1	217899006	JZBZDJRTCBLQML-RBGSFJITSA-N	295.511	4.632	70	10	CJIE	
CC[C@H](C)c1ccccc1NC(=O)NC=C1CCCC1	218776968	YHKQUBXBQNYZIN-ZDUSSCGKSA-N	272.392	4.780	70	10	CJIE	
CC[C@H]1CCCC[C@H]1OCc1cccc([B-](F)(F)F)c1C	2283566650	TVHKYHRBWNXJRW-XJKSGUPXSA-N	299.165	4.535	70	10	CJIE	
CCN[C@H](CC1CCCCC1)c1ccccc1CC	161050383	YOVABHZDXBQBFH-GOSISDBHSA-N	259.437	4.870	70	10	CJIE	
CCCN[C@H](Cc1cccc(C)c1)[C@H]1CCC[C@@H](C)C1	218030174	NUCADWXXFGRUNL-NZSAHSFTSA-N	273.464	4.732	70	10	CJIE	
Cc1ccc(/C=C/NC(=O)Nc2c(C)cc(C)cc2C)cc1	218106334	UEAGPCORXAYWAQ-MDZDMXLPSA-N	294.398	4.713	70	10	CJIE	
C[C@H](F)c1cc2cc(Br)ccc2s1	218331280	HBETZWUHAYGHLA-LURJTMIESA-N	259.143	4.694	70	10	CJIE	
CCCCCN(C(C)C)[C@H](C)[C@@H](O)c1ccc(CC)cc1	218529812	CCIRVKGYSGOLFV-VQIMIIECSA-N	291.479	4.572	70	10	CJIE	
CC[C@H]1CC[C@H](CN)[C@@H](CCSc2ccccc2)C1	218656247	UUGREPCFMUYVIV-HRCADAONSA-N	277.477	4.570	70	10	CJIE	
CCCC1(CCC)CN([C@@H]2CCCc3cc(N)ccc32)C1	159566726	VLZRXYMMTPNSDN-GOSISDBHSA-N	286.463	4.548	70	10	CJIE	
N[C@H](c1cc2cccc(Cl)c2o1)c1ccccc1Cl	159909157	LDEORFPFFFQEEG-AWEZNQCLSA-N	292.165	4.788	70	10	CJIE	
CCc1ccccc1[C@@H](N)Cc1ccc(Cl)cc1Cl	160504527	VZWVZGKVXWFAGQ-INIZCTEOSA-N	294.225	4.798	70	10	CJIE	
Cc1ccc2c(c1)[C@H](Nc1ccc(F)c(F)c1F)CC2	160755585	UDECSDBQAYSSHB-CYBMUJFWSA-N	277.289	4.512	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](N[C@H](C)C1CCCCCC1)CC2	160838383	UAFZFOSHKXMPDN-BEFAXECRSA-N	271.448	4.931	70	10	CJIE	
CC(C)(C)c1ccc([C@H](N)Cc2ccc(Cl)s2)cc1	160947756	PSUVLWWGUNHZPC-CQSZACIVSA-N	293.863	4.942	70	10	CJIE	
CCCc1ccc2oc(CNCC)c(CC(C)C)c2c1	161452640	HDIYHKWTEJHSGQ-UHFFFAOYSA-N	273.420	4.693	70	10	CJIE	
Cc1cc(C)c(NC(=O)Nc2cccs2)c(Cl)c1	217305866	MIUNKURTMWLSCK-UHFFFAOYSA-N	280.780	4.662	70	10	CJIE	
CCC[C@@H]1CC[C@H](N)[C@@H](Cc2ccc(F)cc2Cl)C1	217692309	VFJALJBIZYCRPQ-KFNAQCHYSA-N	283.818	4.565	70	10	CJIE	
CCN[C@H](CCCc1ccccc1)[C@@H]1CCC[C@@H](C)C1	217992905	PIRZHQSWMHWAIK-BHIYHBOVSA-N	273.464	4.814	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC[C@@H]1CCCC[C@@H]1C	218164807	DRBKCAXIZZPXIP-FPSMNIFISA-N	265.485	4.863	70	10	CJIE	
Fc1c(Cl)cc(/C=C/[B-](F)(F)F)c(F)c1Cl	309645360	YAPRJHRZAIXLSJ-OWOJBTEDSA-N	275.820	4.671	70	10	CJIE	
CN[C@@H](CCC(C)C)c1c(C)ccc2ccccc12	160885107	BOEBHEIBRGQCIK-KRWDZBQOSA-N	255.405	4.845	70	10	CJIE	
CCc1ccc(C[C@H](CC2CCCCCC2)NC)s1	161130792	JAELVFZDHGXRIP-HNNXBMFYSA-N	279.493	4.802	70	10	CJIE	
CCNCc1oc2ccc(C(C)C)cc2c1C1CC1	161361318	HJPZRZGNFRYZCE-UHFFFAOYSA-N	257.377	4.543	70	10	CJIE	
CC(C)CC1(c2nc3c([nH]2)C[C@H](C)[C@@H](C)C3)CCCC1	216970114	QLSVCNCXVXZARZ-KBPBESRZSA-N	274.452	4.638	70	10	CJIE	
CCN[C@H]1CC[C@@H](CC)C[C@@H]1Cc1cc(C)cc(C)c1	217662284	PVGPPTWHVNAAON-QRQLOZEOSA-N	273.464	4.650	70	10	CJIE	
CCN[C@H]1CC[C@H](CC)C[C@@H]1Cc1ccc(F)cc1Cl	217673066	DGBUNYLJJZKQCC-QEORTHHSSA-N	297.845	4.826	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@@H](N)[C@@H](CC2CCCCC2)C1	217749576	JYPWTSPVPIVGPQ-HRCADAONSA-N	251.458	4.747	70	10	CJIE	
C[C@H]1CCCC[C@H]1CN[C@H](c1ccccc1)C1CC1	218151267	HAOXHIDUSPKFCC-JCGIZDLHSA-N	257.421	4.554	70	10	CJIE	
Cc1c(F)cccc1N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218168067	ZROKXRXDDRKPMX-YLQAJVPDSA-N	261.384	4.761	70	10	CJIE	
CCCC[C@H](CC)CO[C@@H](c1cccs1)[C@@H](N)CC	218267990	NJKRPPTZYORRQR-OFQRWUPVSA-N	283.481	4.760	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](Cc2ccc3c(c2)CCC3)C1	218733269	CWGKJYOWVBEVMK-UIAACRFSSA-N	285.475	4.509	70	10	CJIE	
CCCC1CCC(CN2CC[C@H]([B-](F)(F)F)C2)CC1	2319655668	JQVUVUBJRUYIOI-RUXDESIVSA-N	276.175	4.516	70	10	CJIE	
O[C@@H](CCC1CCCC1)c1cc2cc(F)ccc2o1	159419834	ZREGOTHELSGSDI-AWEZNQCLSA-N	262.324	4.576	70	10	CJIE	
Cc1ccc(N[C@H](C)c2ccc(Cl)cc2)cc1N(C)C	161164743	XVFTWVITBVXLLT-CYBMUJFWSA-N	288.822	4.888	70	10	CJIE	
CN[C@H](CC1=CCCCC1)c1ccccc1C(F)(F)F	161244218	UTYJIRFPWMEGIY-OAHLLOKOSA-N	283.337	4.856	70	10	CJIE	
CN[C@H](CC1=CCCCC1)c1cccc(OC(C)C)c1	161266170	BIAINVDROKZFQN-GOSISDBHSA-N	273.420	4.625	70	10	CJIE	
CN[C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1Cc1ccc(F)cc1F	217752339	DHSFZPUMGREPEK-VBQJREDUSA-N	295.417	4.558	70	10	CJIE	
CCCN[C@H](c1ccc(F)c(F)c1)[C@H]1CCC[C@@H](C)C1	218008454	SVQHNLULIVOFMF-IGCXYCKISA-N	281.390	4.832	70	10	CJIE	
CCCN[C@@H](c1cc(F)ccc1F)[C@@H]1CCC[C@@H](C)C1	218025506	DDGRVRKZBXMCDS-PBFPGSCMSA-N	281.390	4.832	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1ccc2nccnc2c1	218096881	HPLIUQNLZGHMAT-LXZKKBNFSA-N	283.419	4.503	70	10	CJIE	
C[C@H]1CCC[C@@H](OC[C@@H](O)c2ccc(C(C)(C)C)cc2)C1	218559622	HSZWLXOHBYHVNJ-BMGDILEWSA-N	290.447	4.613	70	10	CJIE	
CC[C@H]1CC[C@@H](CN)[C@@H](Cc2cccc3ccccc23)C1	218684991	QALZUZITXRFLQH-ZYSHUDEJSA-N	281.443	4.784	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](CN)[C@@H](CCSc2ccccc2)C1	218769892	QXMJYQHQDOIXSM-IKGGRYGDSA-N	291.504	4.816	70	10	CJIE	
F[B-](F)(F)C=C(Cc1ccccc1)c1ccccc1	1912966178	OPOZPYJDYQXLNM-UHFFFAOYSA-N	261.075	4.699	70	10	CJIE	
C=C(CCN(C)[C@H]1CCC[C@@H](C(C)(C)C)C1)[B-](F)(F)F	2229848500	DXUASBYSZLRUBB-KGLIPLIRSA-N	290.202	4.856	70	10	CJIE	
CCN[C@@H](c1ccc2c(c1)CCC2)c1cccc(C)c1Cl	160298703	VWKFAPZZCWPLPQ-IBGZPJMESA-N	299.845	4.836	70	10	CJIE	
c1csc(C[C@@H](NCCCC2CC2)c2cccs2)c1	161497985	XQQZCZOFEOBXDL-OAHLLOKOSA-N	291.485	4.873	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1Cc1cc(C)ccc1C	217753049	YRKAWGZUHKTIRW-IPMKNSEASA-N	287.491	4.896	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCCCNC1CCCCC1	217887078	YUAJSQYRYDNLJE-UHOSZYNNSA-N	295.511	4.776	70	10	CJIE	
CCC[C@H]1CC[C@@H](O)[C@@H](CCCc2ccccc2)C1	218295800	LXHSCNMYWMXIER-OKZBNKHCSA-N	260.421	4.587	70	10	CJIE	
Cc1cc(Cl)cc([C@@H](O)c2ccccc2C2CCC2)c1	160019679	RLLKAWCZQQRUJL-GOSISDBHSA-N	286.802	4.998	70	10	CJIE	
CC1(C)CN=C(Nc2ccccc2-c2ccccc2)SC1	160208647	WBJCDEUGYWWLOX-UHFFFAOYSA-N	296.439	4.895	70	10	CJIE	
O[C@@H](CC1=CCCCC1)C[C@H]1CCCc2ccccc21	161099509	LUCYXZOKPKOGJM-MSOLQXFVSA-N	270.416	4.748	70	10	CJIE	
CN[C@H](CC1=CCCCC1)c1ccc(C(F)(F)F)cc1	161301434	LKCGTUFFBFXDLA-OAHLLOKOSA-N	283.337	4.856	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)Cc1c(F)cccc1Cl	161340466	CPXGYLLIBMVMFZ-CQSZACIVSA-N	295.829	4.890	70	10	CJIE	
CCCN[C@H]([C@@H]1CCCCS1)[C@@H]1CCCC[C@@H]1CC	161424122	MQXYHPPNBXRSHH-YVSFHVDLSA-N	283.525	4.857	70	10	CJIE	
CCC[C@H]1CC[C@@H](CN)[C@@H](CCCOc2ccccc2)C1	218736953	BMKICGJTZIGYAI-BZSNNMDCSA-N	289.463	4.637	70	10	CJIE	
CCCN[C@H]1CC[C@@H](CCC)C[C@@H]1Oc1cccc(F)c1	218776333	ITOVSDAZWZILGG-JLSDUUJJSA-N	293.426	4.542	70	10	CJIE	
C=C(CCN(CCC)C1CCCCCC1)[B-](F)(F)F	2076548236	CRHBMWXSMAOQGQ-UHFFFAOYSA-N	276.175	4.754	70	10	CJIE	
O[C@@H](CCC1CCCCC1)c1cc2cccc(F)c2o1	159490523	SHCWYRYPSZIGAD-HNNXBMFYSA-N	276.351	4.966	70	10	CJIE	
CCCNCc1sc([C@H]2CC[C@@H](C)C2)nc1CC(C)C	159800073	IPEDMBPNMVUICN-KGLIPLIRSA-N	294.508	4.745	70	10	CJIE	
CCCCCC[C@H](NC)[C@@]1(OCC)CCC[C@H](C)C1	159895251	QMWONJBNBCWDBJ-YESZJQIVSA-N	269.473	4.530	70	10	CJIE	
CCOC(=O)c1oc(C[C@@H](C)CC(C)(C)C)nc1C(C)C	160403785	NUFWFBPMSCUQFP-GFCCVEGCSA-N	295.423	4.590	70	10	CJIE	
CCN[C@@H](C)c1cccc(Oc2ccc(F)cc2C)c1	160584590	PHHVQXKAUDHDNJ-ZDUSSCGKSA-N	273.351	4.597	70	10	CJIE	
CC(C)Cc1ccc([C@@H](C)NCCCC2CC2)cc1	161483110	OSICPPUGEHDKJW-OAHLLOKOSA-N	259.437	4.726	70	10	CJIE	
CCCCCc1ccc(N[C@H]2C[C@@H]3CC=C[C@H]32)cc1	217936039	VIDIXLFMCPWIOH-JQHSSLGASA-N	255.405	4.796	70	10	CJIE	
Cc1ccc([C@H](O)[C@@H](C)O[C@H]2C[C@@H](C)CC(C)(C)C2)cc1	218555328	GXIJKXXBOKMKQB-XYVMCAHJSA-N	290.447	4.648	70	10	CJIE	
CCCN[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1N(C)[C@@H](C)CCC	218642086	GGEGFHAQVWZUGL-FJIDUMEYSA-N	296.543	4.690	70	10	CJIE	
C=C(CSc1cc(C)c2ccccc2n1)[B-](F)(F)F	310817623	WTPAVIMHMKLMME-UHFFFAOYSA-N	282.119	4.578	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@H]1c1cccc(OCc2ccccc2)c1	1882184336	JYNWOKHLEFUZCD-JKSUJKDBSA-N	291.101	4.971	70	10	CJIE	
C=C(CCN(C)Cc1cc2ccccc2s1)[B-](F)(F)F	2108697295	JORZTCSQLGDPRB-UHFFFAOYSA-N	298.162	4.666	70	10	CJIE	
CC[C@H]1CC[C@H](COc2cc(C)ccc2[B-](F)(F)F)CC1	2193120897	FXWWREHCATYXSV-HDJSIYSDSA-N	299.165	4.645	70	10	CJIE	
CC[C@@H]1CC[C@H](c2nc(C3CC3)c(CNC(C)C)s2)C1	159542001	AOGJTMOAKLYSBE-OCCSQVGLSA-N	292.492	4.812	70	10	CJIE	
CCc1ccc(CC)c([C@H](O)c2cccc(C)c2Cl)c1	160422725	SOBGJMBCQCDCDR-GOSISDBHSA-N	288.818	4.855	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](Nc1cccc(OC(F)F)c1)CC2	160787287	VAQHWKPWRHFDQR-INIZCTEOSA-N	289.325	4.696	70	10	CJIE	
CCCNCc1oc2ccc(OCCC)cc2c1C1CC1	161315916	VZGFFUDPCDWSOV-UHFFFAOYSA-N	287.403	4.599	70	10	CJIE	
Fc1cc(C23CC([B-](F)(F)F)(C2)C3)ccc1Cl	1887484506	SHKIGDBXKOFPQW-UHFFFAOYSA-N	263.450	4.502	70	10	CJIE	
CC(C)NC[C@H](CCCc1ccccc1)C1CCCC1	159966647	SGWLYJRFIOENKU-IBGZPJMESA-N	273.464	4.814	70	10	CJIE	
Cc1cccc([C@H](O)Cc2ccc(Cl)cc2F)c1Cl	160410761	JIFKYUVTBYCISM-CQSZACIVSA-N	299.172	4.717	70	10	CJIE	
O[C@H](CC1=CCCCC1)Cc1csc2ccccc12	161089014	OFILVGZTIGFACE-OAHLLOKOSA-N	272.413	4.695	70	10	CJIE	
FC(F)(F)CSc1ccccc1N[C@@H]1C[C@H]2CC=C[C@H]21	218103255	CSNNPBXJTKAMBU-NQBHXWOUSA-N	299.361	4.718	70	10	CJIE	
CCCN[C@@H]1CC[C@H](CCC)C[C@@H]1N(C)[C@@H](C)CC(C)C	218694609	HUSPOLCZJAIRBX-OKYOBFRVSA-N	296.543	4.690	70	10	CJIE	
Cc1ccc(OCC2CCC(C)(C)CC2)c([B-](F)(F)F)c1	313039279	FXLQXSSWISLSOL-UHFFFAOYSA-N	299.165	4.645	70	10	CJIE	
F[B-](F)(F)[C@H]1CCCN(Cc2ccc3sccc3c2)C1	2133918984	HWPYRIBUJWTVEZ-ZDUSSCGKSA-N	298.162	4.715	70	10	CJIE	
C[C@H](CN1CCC([B-](F)(F)F)CC1)C1CCCCC1	2223268999	ZKDZFIJIHNDPGT-GFCCVEGCSA-N	276.175	4.516	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1OCC[C@@H]1CCC[C@H](C)C1	2279814750	UPXLLGUEEVQIQL-JSGCOSHPSA-N	299.165	4.645	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(OCC[C@@H]2CCC[C@@H](C)C2)c1	2279818490	XIGWLOHBYYUWMI-OCCSQVGLSA-N	299.165	4.645	70	10	CJIE	
CCCN[C@@H](Cc1cccs1)[C@H](CC)c1ccccc1	160648727	QQPZLSZMAPVBHB-MSOLQXFVSA-N	287.472	4.853	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)[C@H]1Cc2ccccc21	160808230	FJCBEASWRYRJCH-SFHVURJKSA-N	272.347	4.671	70	10	CJIE	
CN[C@@H](CC1CCCC1)c1c(C)ccc2ccccc12	160900098	IFRBJAARTCXNLR-SFHVURJKSA-N	267.416	4.989	70	10	CJIE	
CC(C)Cc1c(CNC2CC2)oc2ccc(Cl)cc12	161116397	HWOOKGRDKPMXHI-UHFFFAOYSA-N	277.795	4.537	70	10	CJIE	
CN[C@@H](Cc1ccccc1C)c1cc2ccc(F)cc2s1	161175818	LSKGJUJPIGUWCJ-INIZCTEOSA-N	299.414	4.852	70	10	CJIE	
Cc1cc2oc(CNC(C)C)c(CC(C)C)c2cc1C	161249224	IWGTVCZKXHCNLJ-UHFFFAOYSA-N	273.420	4.746	70	10	CJIE	
CCCNCc1oc2cc3c(cc2c1CCC)CCCC3	161452071	UPAQIASXZKVJCV-UHFFFAOYSA-N	285.431	4.764	70	10	CJIE	
CCCCc1ccc(NC(=O)Nc2cccc(F)c2)cc1	217310610	VJBMJPOTTXTMTE-UHFFFAOYSA-N	286.350	4.812	70	10	CJIE	
CCNC[C@@H](C[C@H]1CSc2ccccc21)C1CCCC1	159931561	MJCRGGWFZMEWTF-CVEARBPZSA-N	289.488	4.682	70	10	CJIE	
Cc1cc([C@H](O)c2cccc(C3CCC3)c2)ccc1Cl	160203246	ZMOKMSSXYPGZCD-GOSISDBHSA-N	286.802	4.998	70	10	CJIE	
Cc1cccc([C@@H](N)c2ccc3c(c2)CCCC3)c1Cl	160280515	WWJJIWGSURWWMV-SFHVURJKSA-N	285.818	4.575	70	10	CJIE	
O[C@H](CC1=CCCCC1)c1cccc(OC(F)(F)F)c1	161066162	CPEMRSXHUVFXAE-CQSZACIVSA-N	286.293	4.509	70	10	CJIE	
CC(C)CNC[C@H](C1=CCCCC1)C1CCCCC1	161471401	XDWXPJSDHJLGSN-GOSISDBHSA-N	263.469	4.929	70	10	CJIE	
CC[C@H]1CC[C@@H](NC)[C@@H](Cc2ccc(C(C)C)cc2)C1	217646615	KQAVVCPTTIEVPJ-KFKAGJAMSA-N	273.464	4.767	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N[C@@H](C)c1cccc(O)c1	217885293	IRIVLYCDTSYVHX-NONVJHHQSA-N	275.436	4.504	70	10	CJIE	
CCCC[C@H](CC)CN1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2073772167	NJZHRAPBDJDLAQ-IHRRRGAJSA-N	276.175	4.516	70	10	CJIE	
C=C(COc1c(C)cc(Cl)cc1Cl)[B-](F)(F)F	2210166818	NCBROVCKOGYIPZ-UHFFFAOYSA-N	283.893	4.623	70	10	CJIE	
CCCNc1cc(Oc2ccccc2C(C)C)ccn1	159374045	SVLUCOFGIRUEMK-UHFFFAOYSA-N	270.376	4.819	70	10	CJIE	
CCCNCC1([C@@H]2C[C@@H]2c2ccccc2)CCCCC1	159408605	YFBZXHBCJAXNFN-QZTJIDSGSA-N	271.448	4.740	70	10	CJIE	
Cc1ccc([C@@H](N)c2c(C)ccc3ccccc23)cc1C	160845229	VIDWBXOBSSRIMU-HXUWFJFHSA-N	275.395	4.813	70	10	CJIE	
CN[C@H]1CC[C@@H](C(C)C)C[C@@H]1Cc1ccc(F)cc1Cl	217793913	IEYWFRVBRQUEIR-MRRJBJDNSA-N	297.845	4.682	70	10	CJIE	
CC[C@@H]1CCCC[C@@H]1N[C@H](c1ccc(OC)cc1)C1CC1	218152941	SXDXEIYNBOSLSH-CCKFTAQKSA-N	287.447	4.705	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](CN)[C@@H](c2cc(F)ccc2Cl)C1	218519754	CVCYDFULNRMAQN-DYEKYZERSA-N	283.818	4.594	70	10	CJIE	
CCCCCC[C@H](C)O[C@@]1(CNCC)CCC[C@@H](C)C1	218757172	QDNQCPTZRFQTGD-SQNIBIBYSA-N	283.500	4.920	70	10	CJIE	
C[C@H](CN1CC[C@H]2C[C@]2([B-](F)(F)F)C1)C1CCCCC1	1879766975	IJAISDRETPHIJZ-SNPRPXQTSA-N	288.186	4.516	70	10	CJIE	
C=C(CCO[C@H](C)CCCCCC)[B-](F)(F)F	1978067874	QGPOGJQXAHNJMH-GFCCVEGCSA-N	251.121	4.695	70	10	CJIE	
Clc1cc(-c2ccc(OCc3ccccc3)cc2)no1	159441322	REJQKIWCJQYVDD-UHFFFAOYSA-N	285.730	4.574	70	10	CJIE	
CCCNC[C@H](c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1	159449232	CFLZBSWRSUXPPV-VAMGGRTRSA-N	279.427	4.574	70	10	CJIE	
CCCCC[C@H](NCC)c1ccc(C(F)(F)F)cc1	159500372	YEPMOSZVEIJFQI-AWEZNQCLSA-N	273.342	4.936	70	10	CJIE	
CCNCc1c(Cl)cccc1Oc1ccc(F)cc1C	160604693	PZCDLCDILNIXJP-UHFFFAOYSA-N	293.769	4.689	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](N[C@H](C)Cc1ccccc1C)CC2	160809926	UCCPBYWBCZISRR-UZLBHIALSA-N	279.427	4.512	70	10	CJIE	
Cc1ccc(N[C@@H]2C[C@H](C)CC(C)(C)C2)cc1N(C)C	161222359	QURQJMXYOPMGBW-XJKSGUPXSA-N	274.452	4.688	70	10	CJIE	
CNCc1oc2ccc(C(C)C)cc2c1C(C)(C)C	161363535	ZXVNCGZSQFEJOV-UHFFFAOYSA-N	259.393	4.573	70	10	CJIE	
CCC[C@H]1CC[C@H](NC)[C@@H](Cc2ccc(C)c(C)c2)C1	217704416	AFASFJLPKLKGHJ-UHOSZYNNSA-N	273.464	4.650	70	10	CJIE	
CC[C@H](C)C[C@H](CC)N[C@H](c1ccccc1)C1CC1	217984553	WZFCBXKHFHYXPV-JCGIZDLHSA-N	259.437	4.942	70	10	CJIE	
CCc1ccc([C@@H](C)N[C@@H]2CCC[C@@H](C)[C@@H]2C)s1	218077268	KPMLDFFJGDZJSH-QVHKTLOISA-N	265.466	4.786	70	10	CJIE	
CCCCC[C@@H](NCCC)c1c(F)ccc(C)c1F	159636991	WNTRCKHWGWPTRY-CQSZACIVSA-N	269.379	4.894	70	10	CJIE	
CC[C@H]1CCC[C@H](Nc2ccc(F)c(OC)c2)CC1	160038008	RAQZKSRYYYNDOY-STQMWFEESA-N	265.372	4.605	70	10	CJIE	
CN[C@H](Cc1ccc(F)cc1Cl)c1cc(C)c(C)s1	160571069	QAJZWCDXBKDDPY-CQSZACIVSA-N	297.826	4.661	70	10	CJIE	
CCCN[C@@H](Cc1ccc(F)cc1Cl)C(C)(C)CC	160629400	NUKVYVVBNKPFJU-HNNXBMFYSA-N	285.834	4.826	70	10	CJIE	
CN[C@H](c1cccc(C)c1)c1c(C)ccc2ccccc12	160900632	FPFHOZWMUPUAEA-HXUWFJFHSA-N	275.395	4.765	70	10	CJIE	
CCNCc1oc2c([C@H](C)CC)cccc2c1C1CC1	161375740	IBZTYVXMCVVQBM-GFCCVEGCSA-N	271.404	4.933	70	10	CJIE	
Cc1nn(C(C)C)c(C)c1N[C@H]1C[C@H](C)CC[C@H]1C(C)C	218113625	CAADMBSPKMXJCW-COXVUDFISA-N	291.483	4.954	70	10	CJIE	
CC[C@H]1CCCC[C@H]1O[C@H](c1cccc(F)c1)[C@@H](N)CC	218243028	WGYWDSKZAHDNHS-VIBAHUMZSA-N	293.426	4.590	70	10	CJIE	
Nc1ccc(N(Cc2ccccc2)c2ccccc2)cc1F	218443493	ZERSEUSJPOXYLS-UHFFFAOYSA-N	292.357	4.746	70	10	CJIE	
Cc1cc2c(n1[C@@H]1CCC[C@@H](C)[C@H]1C)CC(C)(C)C[C@@H]2O	218612325	MPAGEXSNMPFOEL-BQUDOFGOSA-N	289.463	4.800	70	10	CJIE	
CCCN[C@@H]1CC[C@H](CCC)C[C@@H]1Oc1ccccc1F	218769787	HVSMSNTVOKPYDC-LESCRADOSA-N	293.426	4.542	70	10	CJIE	
CCCN[C@@H]1CC[C@@H](CCC)C[C@@H]1Oc1ccccc1C	218773958	AUDUZICQWFHWFM-LMMKCTJWSA-N	289.463	4.711	70	10	CJIE	
CC(C)=C(CN(C)CC12CCCC1CCC2)[B-](F)(F)F	2340157396	YFROKXMNTDLJBG-UHFFFAOYSA-N	288.186	4.612	70	10	CJIE	
CNCc1sc(-c2ccc3ccccc3c2)nc1C1CC1	159417275	MOAOXKDOQYZRJT-UHFFFAOYSA-N	294.423	4.560	70	10	CJIE	
CC[C@H]1CC[C@@H](c2nc(C3CC3)c(CNC3CC3)s2)C1	159591316	KNSRPUPKTNSNQQ-WCQYABFASA-N	290.476	4.566	70	10	CJIE	
Cc1ccc([C@@H](O)c2cc3cccc(Cl)c3o2)c(F)c1	159638395	CHIVGRKHODHLFH-OAHLLOKOSA-N	290.721	4.615	70	10	CJIE	
CCNC[C@@H]1CCCCC[C@@H]1[C@@H]1C[C@@H]1c1ccccc1	159669487	OUERMQCZRPLXMC-OKYOBFRVSA-N	271.448	4.596	70	10	CJIE	
Cc1ccc(Oc2ncc(Cl)cc2Br)cc1	159897446	TWTFQQQWBPHXCY-UHFFFAOYSA-N	298.567	4.598	70	10	CJIE	
CCN[C@@H]1C[C@@H](C)CCc2ccc([C@@H](C)CC)cc21	217951467	NFPLFTFFLMGIHP-SUNYJGFJSA-N	259.437	4.823	70	10	CJIE	
CCCN[C@@H](Cc1ccccc1F)[C@H]1CCC[C@@H](C)C1	218029455	QKSWKRXXPFRJKH-HFTRVMKXSA-N	277.427	4.563	70	10	CJIE	
Cc1ccc(N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c(C)c1	218050233	BORKKAONKPIXBP-YXJHDRRASA-N	257.421	4.930	70	10	CJIE	
COc1c(C)ccc(N[C@@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c1C	218099148	YUPIRXAUJIEIOH-ORDFZIBCSA-N	285.431	4.549	70	10	CJIE	
CC[C@H]1CC[C@H](CN)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	218694162	HWGMPITVACKKKX-CGTJXYLNSA-N	287.491	4.928	70	10	CJIE	
O=C(NC=C1CCCC1)Nc1ccc(Cl)cc1Cl	218755529	PEVXCPIFCOLXOW-UHFFFAOYSA-N	285.174	4.573	70	10	CJIE	
CC(C)=C(CN(C)[C@@H]1CCCC[C@H]1C1CC1)[B-](F)(F)F	2340144002	IMEOTVXFIVKPNM-DZGCQCFKSA-N	288.186	4.610	70	10	CJIE	
C[C@H]1CC[C@H](c2nc(C3CC3)c(CNC(C)(C)C)s2)C1	159607987	BRYJDKRKMWPGOX-AAEUAGOBSA-N	292.492	4.812	70	10	CJIE	
Cc1cccc([C@@H](N)c2cccc3ccccc23)c1Cl	160316386	KQGGLCDILRLCMG-SFHVURJKSA-N	281.786	4.850	70	10	CJIE	
CCC[C@H](CC)NCc1ccc(Cl)c2cccnc12	160321891	RJAYRKYTSZRINZ-ZDUSSCGKSA-N	276.811	4.557	70	10	CJIE	
CCCc1c(CN)oc2ccc(Oc3ccccc3)cc12	161254584	WAYWOMOUBXFBJQ-UHFFFAOYSA-N	281.355	4.636	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1cccc2cnccc12	161316668	ZFOXESYYAXNTPJ-LJQANCHMSA-N	280.415	4.776	70	10	CJIE	
CCCOc1ccc2oc(CNC(C)C)c(C3CC3)c2c1	161320286	SDJPZZWQNWSTDS-UHFFFAOYSA-N	287.403	4.597	70	10	CJIE	
CCCN[C@@H](c1cccc(C)c1C)[C@@H]1CCCCS1	161427707	CLEGQANHUMKKLY-IRXDYDNUSA-N	277.477	4.630	70	10	CJIE	
C[C@H](NCCCC1CC1)c1ccc2ccccc2c1	161467625	ZCNZTCBISKBSMS-AWEZNQCLSA-N	253.389	4.681	70	10	CJIE	
CC(C)(C)c1ccc([C@]2(N)C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1	217894885	XVUHYOWLZIMQEE-QTUIHCGYSA-N	283.459	4.594	70	10	CJIE	
Cc1cc2c(n1[C@H]1CCC[C@H](C)[C@H]1C)CC(C)(C)C[C@@H]2O	218612249	MPAGEXSNMPFOEL-QUCGAITQSA-N	289.463	4.800	70	10	CJIE	
CC[C@H]1CCCC[C@H]1Oc1cc(C)cc([B-](F)(F)F)c1C	686557682	FSLUANZENGRSED-DZGCQCFKSA-N	299.165	4.705	70	10	CJIE	
C=C(CN(Cc1ccccc1)[C@@H](C)C(C)(C)C)[B-](F)(F)F	1932002970	CZQBKIVEWQIRKU-AWEZNQCLSA-N	298.181	4.866	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1OCC1CC(C(C)(C)C)C1	2161219816	QNEMXAFBAGZNGW-UHFFFAOYSA-N	299.165	4.501	70	10	CJIE	
CC1(C)CN=C(Nc2ccc(-c3ccccc3)cc2)SC1	160232787	LDQQEDWBVKGNKL-UHFFFAOYSA-N	296.439	4.895	70	10	CJIE	
CCCN[C@@H](C1=CCCCO1)c1csc2ccccc12	160293616	KKQORQWJPZAXRY-QGZVFWFLSA-N	287.428	4.636	70	10	CJIE	
CCc1ccc([C@H](C)N[C@H]2CCc3ccc(C)cc32)cc1	160779983	AFJGHYPISALTFF-YWZLYKJASA-N	279.427	4.896	70	10	CJIE	
Cc1cccc([C@H](N)c2c(C)ccc3ccccc23)c1	160863832	XYJUXPANWDKVMS-IBGZPJMESA-N	261.368	4.505	70	10	CJIE	
CCN[C@H](Cc1ccc(Cl)s1)c1cccc(C)c1F	160935378	RMSNUGORKIAFSQ-CYBMUJFWSA-N	297.826	4.742	70	10	CJIE	
Cc1ccc(CC(=O)c2cc3ccc(F)cc3s2)cc1	161169065	JEVZDOCCKILLNL-UHFFFAOYSA-N	284.355	4.774	70	10	CJIE	
CCOC1(C(=O)Cc2cc(C)ccc2C)CCCCCC1	161363488	OEGXJGBBUGQUSA-UHFFFAOYSA-N	288.431	4.545	70	10	CJIE	
NC[C@@H]1CCCCC[C@@H]1C[C@@H]1CCCc2ccccc21	218579595	JTDJYJVHTKNZKJ-SQNIBIBYSA-N	271.448	4.652	70	10	CJIE	
CC(C)C[C@@H](C)Oc1ccc2cc([B-](F)(F)F)ccc2c1	302562717	MVKRGWJZSXHTEG-GFCCVEGCSA-N	295.133	4.708	70	10	CJIE	
CC(C)=C(F)COc1ccc2ccccc2c1[B-](F)(F)F	2192532363	QRVBMTDFVOECTC-UHFFFAOYSA-N	297.080	4.536	70	10	CJIE	
Cc1sc(C=C[B-](F)(F)F)c(C)c1Br	2209178396	YVPYWCIBVKRPGM-UHFFFAOYSA-N	283.929	4.527	70	10	CJIE	
CCNc1cc(Oc2ccc(C(C)(C)C)cc2)ccn1	159372007	ISRBZULZEOQQKA-UHFFFAOYSA-N	270.376	4.603	70	10	CJIE	
Cc1ccc([C@H](O)c2c(C)ccc3ccccc23)cc1C	160982830	TYXZWODLKGAUTF-FQEVSTJZSA-N	276.379	4.847	70	10	CJIE	
Cc1ccc([C@@H](N)c2cc3ccc(F)cc3s2)cc1C	161135064	HQHJAXVFQHRGOK-QGZVFWFLSA-N	285.387	4.705	70	10	CJIE	
O=C(Nc1ccco1)N(Cc1ccccc1)c1ccccc1	217272015	ROOMRIOSPWECRE-UHFFFAOYSA-N	292.338	4.518	70	10	CJIE	
Cc1ccc(CN[C@H]2C[C@@H](C)CC[C@H]2C(C)C)c(C)c1	217864515	BANARQJHYKBKQO-SNRMKQJTSA-N	273.464	4.854	70	10	CJIE	
CCOc1cccc(N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1	218106518	AFAYDNVSWQNGRI-QANKJYHBSA-N	273.420	4.712	70	10	CJIE	
C=C(CN(CC)c1cccc2ccccc12)[B-](F)(F)F	233420505	CDDHANIQHSJVCX-UHFFFAOYSA-N	278.106	4.609	70	10	CJIE	
Cc1ccccc1[C@H](C)NCc1cc(F)cc(Cl)c1	160815702	FVDZFZQHKHTLGT-LBPRGKRZSA-N	277.770	4.638	70	10	CJIE	
C[C@H]1CCC[C@H](CCNCc2cc(F)cc(Cl)c2)C1	160941941	FJJNYELSNLVCTJ-QWHCGFSZSA-N	283.818	4.785	70	10	CJIE	
Cc1ccc(N[C@H](C)c2cc(F)cc(F)c2)cc1N(C)C	161201027	GENPKIYXIRKGHK-GFCCVEGCSA-N	290.357	4.512	70	10	CJIE	
CCCNCc1oc2c(C)ccc(Cl)c2c1CCC	161497378	SSASARXRZTYAPE-UHFFFAOYSA-N	279.811	4.847	70	10	CJIE	
CC[C@@H](C)c1ccccc1NC(=O)Nc1cccc(O)c1	217312611	OCWDOKXDJVCLSF-GFCCVEGCSA-N	284.359	4.550	70	10	CJIE	
CCC[C@H]1CC[C@@H](NCC)[C@@H](CC2CCCC2)C1	217715746	JHPINGOURFQODG-USXIJHARSA-N	251.458	4.761	70	10	CJIE	
C[C@@H]1CCC[C@@H]([C@@H](N)c2ccc3ccccc3c2)C1	217945424	RHKJHBFTEBJJIT-MZMPZRCHSA-N	253.389	4.666	70	10	CJIE	
CC[C@@H](N)[C@@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccc(C)o1	218262985	JZEUCOHCFUYWCW-DNNBLBMLSA-N	293.451	4.598	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CNC)[C@@H](Cc2cc(F)ccc2C)C1	218342335	DMZHZAZXVLFUIR-SOLBZPMBSA-N	291.454	4.729	70	10	CJIE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)c1ccc2nc(C)ccc2c1	218373085	BEBOZAHUQVXYPD-LJHODMEESA-N	283.415	4.793	70	10	CJIE	
CC[C@@H]1CCC[C@H]([C@@H](NC)c2cc(F)ccc2Cl)C1	218497312	HMEHPMIVWIYUDD-BFQNTYOBSA-N	283.818	4.956	70	10	CJIE	
O=C(N/C=C/C1CCCC1)Nc1ccc2ccccc2c1	218604686	UJQTVKVCFGHMNU-VAWYXSNFSA-N	280.371	4.665	70	10	CJIE	
C=C(CCS[C@@H]1CCC[C@@H](C)C1)[B-](F)(F)F	1959654284	YDBJDYYGLWBUOP-MWLCHTKSSA-N	251.146	4.631	70	10	CJIE	
CCCN[C@@H](c1cncc(C)c1)C1CCCCCCC1	161017233	KDAKFRWOQVFVKL-GOSISDBHSA-N	274.452	4.791	70	10	CJIE	
c1ccc2c(c1)Oc1ccccc1C2NCCCC1CC1	161482470	CKVPHAAISUWAQF-UHFFFAOYSA-N	279.383	4.662	70	10	CJIE	
CCCCCN(C(C)C)[C@H](c1sccc1C)[C@@H](N)CC	217824998	JAVUCBLXUFTISN-HOTGVXAUSA-N	296.524	4.736	70	10	CJIE	
CC(C)CC[C@@H](C)NCCO[C@H]1C[C@@H](C)CC(C)(C)C1	217912468	JPVVCWKVYGFURK-ZACQAIPSSA-N	283.500	4.632	70	10	CJIE	
CC/C=C/NC(=O)Nc1ccccc1Sc1ccccc1	218466445	KKSYQGVYCKSDER-QLKAYGNNSA-N	298.411	4.883	70	10	CJIE	
CCCN[C@@H]1CC[C@@H](CCC)C[C@@H]1N1CCCCCCC1	218614134	UEMSAWSJTOGDOM-QRVBRYPASA-N	294.527	4.590	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(OC[C@H](C)CC(C)(C)C)c1	709115012	TTWUMZQMPGZNGE-GFCCVEGCSA-N	287.154	4.501	70	10	CJIE	
CC(C)=C(CSCc1ccccc1)[B-](F)(F)F	1901649070	IZNXLLGGAJYSGX-UHFFFAOYSA-N	259.125	4.643	70	10	CJIE	
C[C@@]1([B-](F)(F)F)CCN(CC[C@@H]2CCCCC23CC3)C1	2342543002	DRPAYXBOMCWNQP-UONOGXRCSA-N	288.186	4.660	70	10	CJIE	
CCCCC[C@@H](NCCC)c1ccccc1OC(F)F	159681218	NQHJLFLULKLRCA-CQSZACIVSA-N	285.378	4.909	70	10	CJIE	
CCCN[C@@H](C)c1ccc(Oc2ccc(F)cc2C)cc1	160582920	JIWQYUBEAJKZEE-AWEZNQCLSA-N	287.378	4.987	70	10	CJIE	
Cc1ccc2c(c1)[C@H](NCC[C@@H]1CCC[C@H](C)C1)CC2	160827445	FZUTUMUZZRAKBP-URLQWDBASA-N	271.448	4.788	70	10	CJIE	
Cc1ccc(C)c2c(C3CC3)c(CNCC(C)C)oc12	161232244	CWBJFFIIGNPDED-UHFFFAOYSA-N	271.404	4.673	70	10	CJIE	
CCCCN(CCC)C(=O)N/C=C/c1ccccc1Cl	217809653	LUNKUUKMVUIXRO-ZHACJKMWSA-N	294.826	4.532	70	10	CJIE	
CCCOc1ccccc1N[C@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218057210	JXIKMBITGKPOFX-DXWTWGPWSA-N	285.431	4.712	70	10	CJIE	
CC[C@@H](C)[C@@H](c1ccccc1)[C@@H](O)C1=CCCCC1	218137104	WIRRCMANULILRM-JLSDUUJJSA-N	258.405	4.678	70	10	CJIE	
CCCN[C@H](C)c1sc([C@H]2CCC[C@@H](C)C2)nc1C	218583314	IQLPOAJMJNIBJA-BZPMIXESSA-N	280.481	4.806	70	10	CJIE	
CCCN[C@@H](c1ccc(C)cc1)[C@@H](C)N(C)[C@@H](C)CCC	218642681	KXLFUOLLSVMBMW-YQVWRLOYSA-N	290.495	4.545	70	10	CJIE	
CCCNC[C@]1(O[C@@H]2CCC[C@@H](C)C2)CCC[C@@H](C)C1	218761816	JPJGULIGZUXMOS-TVFCKZIOSA-N	281.484	4.530	70	10	CJIE	
CCCC(CCC)[C@H](O)c1cc2cccc(F)c2o1	159504487	QLKVDZJYQMDCOL-HNNXBMFYSA-N	264.340	4.822	70	10	CJIE	
CCCN[C@@H](CC(C)(C)C)c1ccc(OC2CC2)cc1	159562277	PHBWULPNDASMHW-KRWDZBQOSA-N	275.436	4.705	70	10	CJIE	
CCSCC[C@@H](C)NCc1ccc(C(C)(C)C)cc1	159954569	OKZRJXGAEDLWOU-CQSZACIVSA-N	279.493	4.605	70	10	CJIE	
CCSCC[C@@H](C)N[C@@H](C)CC(C)(C)c1ccccc1	160037492	YAVGRUXTOCOQED-CVEARBPZSA-N	293.520	4.864	70	10	CJIE	
COc1cc(N[C@H](C)c2cc(C)c(C)cc2C)ccc1F	160118583	XOBRXJHVBRJELQ-CQSZACIVSA-N	287.378	4.933	70	10	CJIE	
CCCCOCCCN[C@@H](CC(C)C)c1ccccc1	160229534	IADSNBDJEZQPEH-SFHVURJKSA-N	277.452	4.570	70	10	CJIE	
CCCN[C@H](CC)c1ccccc1N1CC[C@@H](CCC)C1	160391028	RLDIXMYUADYUJQ-SJLPKXTDSA-N	288.479	4.764	70	10	CJIE	
C[C@H](NCc1cc(F)cc(Cl)c1)c1cccc(Cl)c1	160813955	MXBWXSFYJBSFRJ-JTQLQIEISA-N	298.188	4.983	70	10	CJIE	
Cc1ccccc1CC(=O)c1cc2ccc(F)cc2s1	161168939	QZYIWGRYXRVNNM-UHFFFAOYSA-N	284.355	4.774	70	10	CJIE	
CC[C@@H](C)c1cccc2c(C(C)(C)C)c(CNC)oc12	161380169	MQGIGRCKIYCHGW-GFCCVEGCSA-N	273.420	4.963	70	10	CJIE	
CCC[C@@H]1CC[C@@H](N)[C@@H](Cc2c(F)cccc2Cl)C1	217684770	OXZKUGLRLMJGAW-XHBSWPGZSA-N	283.818	4.565	70	10	CJIE	
CC(C)[C@H](N[C@H]1C[C@@H]2CC=C[C@H]21)c1ccc(Cl)cc1	217789746	ADKNFAKVGXLXIR-ORQFMDKSSA-N	275.823	4.591	70	10	CJIE	
C[C@H]1CCCC[C@@H]1CN[C@H](C)c1ccc(OC(F)F)cc1	218156381	XBGDIJFYTBEOKR-GZBFAFLISA-N	297.389	4.765	70	10	CJIE	
C[C@H]1CCC[C@@H]1N[C@H](C)c1ccc(C(C)(C)C)cc1	218210430	DAPOIRZEMOYTJU-VBQJREDUSA-N	259.437	4.823	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@@H](N)[C@@H](c2cccc(C(F)(F)F)c2)C1	218549163	SBOYRAIRBURPNH-BPLDGKMQSA-N	299.380	4.963	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCCN(Cc2csc3ccccc23)C1	2133912525	IWCWIHIVBKBOTL-GFCCVEGCSA-N	298.162	4.715	70	10	CJIE	
C=C(CCOC[C@H]1C[C@@H]1C1CCCCCC1)[B-](F)(F)F	2135980349	QRDACFNGIWJHIX-HUUCEWRRSA-N	289.170	4.942	70	10	CJIE	
CC(C)=C(CN(C)C1CCC(C2CC2)CC1)[B-](F)(F)F	2340148384	TUCPJRYKYLLWGO-UHFFFAOYSA-N	288.186	4.610	70	10	CJIE	
Cc1ccccc1Nc1ncc(Cl)cc1Br	159704381	SVOKVYIWCPKZSY-UHFFFAOYSA-N	297.583	4.550	70	10	CJIE	
C[C@H]1C[C@@H](N[C@H](C)c2ccc(F)cc2)CC(C)(C)C1	159840209	YRGITJIBXMANCS-WOSRLPQWSA-N	263.400	4.691	70	10	CJIE	
CCCCOCCCN[C@@H]1CCC[C@@H](CCC)CC1	160251009	NUKLOVCDSNTHRE-IAGOWNOFSA-N	269.473	4.532	70	10	CJIE	
Fc1cc(Cl)cc(CNc2ccc(F)c(F)c2F)c1	160799432	YWUZFDIPMOZCJM-UHFFFAOYSA-N	289.659	4.509	70	10	CJIE	
Cc1cncc([C@@H]2CC(C)(C)CC[C@@H]2CNC(C)(C)C)c1	161041596	RTLZZPUNLOPURP-NVXWUHKLSA-N	288.479	4.688	70	10	CJIE	
CNCc1oc2c(ccc3ccccc32)c1CC(C)C	161136339	MTNSPKHYDHPBPH-UHFFFAOYSA-N	267.372	4.504	70	10	CJIE	
CCCNCc1oc2c(C)c(C)cc(C)c2c1C1CC1	161211381	HTUQANZPMQKQSY-UHFFFAOYSA-N	271.404	4.735	70	10	CJIE	
CCCN[C@@H](C1CCC(CC)CC1)[C@@H]1CCCCS1	161457797	QWZVTHJIORJJGO-GQGLESIBSA-N	283.525	4.857	70	10	CJIE	
CCO[C@@H](C(=O)c1cc(C)c(C)cc1C)C1CCCCC1	161470377	KRVGOWMVLVGOFJ-LJQANCHMSA-N	288.431	4.780	70	10	CJIE	
Cc1nc([C@H](C)N[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cs1	217889315	ZSWOAUGXNAUVOV-VIRABCJISA-N	280.481	4.563	70	10	CJIE	
CCC[C@H]1CC[C@@H](O)[C@@H](Cc2ccc(F)cc2Cl)C1	218296001	UENYGJFKFOXVJI-NORZTCDRSA-N	284.802	4.599	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](c2ccc(CC)cc2)C1	218729896	DNWBEKJWTBWMKI-KBAYOESNSA-N	259.437	4.508	70	10	CJIE	
CCC[C@H]1CC[C@H](CN)[C@@H](CCCOc2ccccc2)C1	218737076	BMKICGJTZIGYAI-OKZBNKHCSA-N	289.463	4.637	70	10	CJIE	
CCO[C@]1(C(=O)c2cc(C)c(C)cc2C)CCC[C@H](C)C1	161192105	QHNMFQJYFPUJPI-ORAYPTAESA-N	288.431	4.780	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)[C@@H]1C[C@@H]1c1ccccc1	161329303	GHJNKOZUWCCJRY-GUDVDZBRSA-N	269.432	4.659	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)c1cccc(F)c1	161429287	IXUNZXKKRFCKHQ-QGZVFWFLSA-N	261.384	4.757	70	10	CJIE	
CC[C@H](C)C[C@H](CC)N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218016080	YEGDCJSASIQRJK-NKPHKUNOSA-N	263.469	4.616	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1cccc(CN(C)C)c1	218117087	OZKUOKOWHKVCAO-SNRMKQJTSA-N	288.479	4.621	70	10	CJIE	
COc1ccc(Cl)c(N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1	218166720	WSJCRWXTRPZCIJ-XQAQDONZSA-N	293.838	4.975	70	10	CJIE	
CCCCc1ccc(NC(=O)N/C=C/C(C)(C)C)cc1	218542097	QQTXITTXKOQCGV-OUKQBFOZSA-N	274.408	4.711	70	10	CJIE	
CC(C)NC[C@]1(O[C@@H]2CCC[C@@H](C)C2)CCC[C@@H](C)C1	218761988	YZLHFPQWZGXEOL-TVFCKZIOSA-N	281.484	4.529	70	10	CJIE	
CCOc1ccc(NCc2ccc([C@H]3C[C@@H]3C)o2)cc1F	159495771	IUWCUNXHNGVDDA-FZMZJTMJSA-N	289.350	4.553	70	10	CJIE	
Cc1ccc(Cl)cc1[C@H](O)c1cccc(CC(C)C)c1	159865604	GYVXUSZEVWMZQR-GOSISDBHSA-N	288.818	4.929	70	10	CJIE	
CCNC[C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1c1cncc(C)c1	161039912	SBVOXCORBTUVDI-JQHSSLGASA-N	288.479	4.546	70	10	CJIE	
N[C@@H](CC1CCCCC1)CC12CC3CC(CC(C3)C1)C2	161067439	CCJWZSPDKSBVOC-NNGLDNROSA-N	275.480	4.891	70	10	CJIE	
CC(C)c1ccc([C@H](O)c2cc(F)cc(Cl)c2)cc1	161204490	OECQQWZSHPCQGH-INIZCTEOSA-N	278.754	4.684	70	10	CJIE	
CNCc1oc2c(C)cc(C(C)(C)C)cc2c1C1CC1	161410566	YMCZULPYDBCCOR-UHFFFAOYSA-N	271.404	4.636	70	10	CJIE	
CCO[C@H](C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1)C1CCCCC1	161484350	SLCJXTSINRXFMQ-MMNPAVHPSA-N	280.452	4.613	70	10	CJIE	
CC(C)c1csc([C@@]2(N)C[C@H](C)CC[C@@H]2C(C)C)n1	217749077	BIZJBQIRUOVFAZ-XJKCOSOUSA-N	280.481	4.513	70	10	CJIE	
CCc1cccc(N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1	218074016	CPRDINDXZXGRDO-QILLFSRXSA-N	257.421	4.876	70	10	CJIE	
CCC[C@H]1CC[C@H](O)[C@@H](Cc2ccc(Cl)s2)C1	218296519	HDMZHLSNVFUPBN-LOWVWBTDSA-N	272.841	4.521	70	10	CJIE	
CC(C)c1ccccc1NC(=O)N/C=C/C1CCCC1	218582999	BZMDGRPDHUBTFX-VAWYXSNFSA-N	272.392	4.635	70	10	CJIE	
C=C(CO[C@](C)(CC)CCC=C(C)C)[B-](F)(F)F	2014047570	ZLTLHSXYLJSXDS-CYBMUJFWSA-N	263.132	4.861	70	10	CJIE	
CC(C)=C(CN(C)C1CC(C)(C)C(C)(C)C1)[B-](F)(F)F	2340139973	ODHYFBFGDUFEEW-UHFFFAOYSA-N	290.202	4.856	70	10	CJIE	
CCCCC[C@H](NCC)[C@@]1(OCC)CCC[C@H](C)C1	159896296	UAGDIAPCXJROGB-YESZJQIVSA-N	269.473	4.530	70	10	CJIE	
CN[C@H](c1ccc2c(c1)CCCC2)c1cccc(C)c1Cl	160285728	COUVDNKUQJCOEG-LJQANCHMSA-N	299.845	4.836	70	10	CJIE	
CC(C)[C@@H]1Nc2cccc(Cl)c2O[C@@H]1c1ccccc1	160532864	WXFYSHMEQDVDSR-JKSUJKDBSA-N	287.790	4.910	70	10	CJIE	
C[C@H]1Nc2cccc(Cl)c2O[C@@H]1c1cccc(Cl)c1	160536601	HWWLULQDESXZDM-OTYXRUKQSA-N	294.181	4.928	70	10	CJIE	
CO[C@@]1(C(=O)c2ccc(C(C)(C)C)cc2)CCC[C@@H](C)C1	161069326	PNHBBNKJDGSWFP-KUHUBIRLSA-N	288.431	4.762	70	10	CJIE	
CCCN[C@@H](CCC[C@H]1CCCO1)CC1=CCCCC1	161419103	ZKAWQXLRZUFZDD-ROUUACIJSA-N	279.468	4.594	70	10	CJIE	
CCc1cccc2c(CC(C)C)c(CNC(C)C)oc12	161424204	VUXYUSFFTBBJAD-UHFFFAOYSA-N	273.420	4.692	70	10	CJIE	
CCCCCN(C(C)C)[C@@H](c1ccccc1C)[C@@H](N)CC	217826926	YRGBVPNLUGSLFT-OALUTQOASA-N	290.495	4.674	70	10	CJIE	
Cc1cc(C)cc([C@]2(O)C[C@H](C)CC[C@H]2C(C)C)c1	217866100	BRMTZCCTPAKZEH-JEBQAFNWSA-N	260.421	4.583	70	10	CJIE	
CC[C@@H]1CCCC[C@@H]1O[C@H](c1ccc(Cl)cc1)[C@@H](C)N	218244074	TYEWLOCVXUKODZ-OMNBBPDLSA-N	295.854	4.714	70	10	CJIE	
Cc1cccc(C(=O)CO[C@H]2C[C@@H](C)CC[C@H]2C(C)C)c1	218396743	GZNNUPSEVMRLLA-IEZWGBDMSA-N	288.431	4.655	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](N)[C@@H](C[C@@H]2CCCc3ccccc32)C1	218526876	QIJIQJRDSUNYOZ-PNYFIKQUSA-N	285.475	4.896	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@H]1c1c(Cl)cccc1Cl	1885273572	DCKZKXNCRGVLER-RITPCOANSA-N	253.867	4.698	70	10	CJIE	
F[B-](F)(F)C=Cc1cccc(Oc2ccccc2)c1	1912230619	NIMFHWPTPZVNMK-UHFFFAOYSA-N	263.047	4.879	70	10	CJIE	
CC[C@H]1CC[C@H](CN2CCC[C@H]([B-](F)(F)F)C2)CC1	2072872396	BCUGCKBXAUXTNQ-IHRRRGAJSA-N	276.175	4.516	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCCN(CC2C[C@H]3CCC[C@H](C2)C3)C1	2225291190	XYMRZYCIZNIWCK-KCQAQPDRSA-N	288.186	4.516	70	10	CJIE	
CC(C)=C(CN(C)C1CC2(CCCCC2)C1)[B-](F)(F)F	2340143411	ZBXIPKNVYRXLLV-UHFFFAOYSA-N	288.186	4.754	70	10	CJIE	
CC(C)=C(CN(C)C1CCC2(CCC2)CC1)[B-](F)(F)F	2340329124	RTFLELHSYBCFSP-UHFFFAOYSA-N	288.186	4.754	70	10	CJIE	
CC(C)(C)NCCC(C)(C)[C@H]1C[C@@H]1c1ccccc1	159659650	AHTZYLZFZXWLHN-CVEARBPZSA-N	259.437	4.595	70	10	CJIE	
CCNCc1sc([C@@H]2CCC[C@@H](C)C2)nc1CC(C)C	159772823	OIWFETBRIWJYPP-ZIAGYGMSSA-N	294.508	4.745	70	10	CJIE	
CCSCC[C@@H](C)NCc1c(CC)oc2ccccc12	160051441	OQAHRVWAGSROHC-CYBMUJFWSA-N	291.460	4.617	70	10	CJIE	
Cc1ccc(C)c([C@@H]2CNc3ccc(Cl)cc3O2)c1	160559711	VZPHPLUTFKFYMT-INIZCTEOSA-N	273.763	4.502	70	10	CJIE	
Fc1ccc(N[C@@H]2CCOC3(CCCCC3)C2)cc1Cl	160648543	AHBQYKSFXQIZSR-CYBMUJFWSA-N	297.801	4.773	70	10	CJIE	
CC[C@H](N[C@H]1CCc2ccc(C)cc21)C1CCCCC1	160822862	WXUCCPZTCAUCKP-OALUTQOASA-N	271.448	4.931	70	10	CJIE	
CN[C@@H](c1ccccc1F)c1c(C)ccc2ccccc12	160884847	UHMYWCDGUBSSRZ-IBGZPJMESA-N	279.358	4.596	70	10	CJIE	
CCNCC[C@H](C)CCc1c(C)ccc2ccccc12	161110454	KFKNPCVGAIBGSP-OAHLLOKOSA-N	269.432	4.717	70	10	CJIE	
CCCN[C@@H](CC1CCCC1)[C@@H]1CCC[C@@H](C)C1	218022464	NMUJSLBIJYTQDH-OIISXLGYSA-N	251.458	4.761	70	10	CJIE	
CCCCN(CCC)C(=O)N/C=C/c1ccc(Cl)cc1	218240575	RADLWZVHNGAMBQ-ZHACJKMWSA-N	294.826	4.532	70	10	CJIE	
O[C@@H](CC1CCCCCC1)c1cc2cccc(F)c2o1	159510183	AVXSWQBICTVZJF-HNNXBMFYSA-N	276.351	4.966	70	10	CJIE	
Cc1cccc([C@@H](O)c2ccccc2C2CCC2)c1Cl	160025975	ZVWIJEQLTWZEDT-SFHVURJKSA-N	286.802	4.998	70	10	CJIE	
CC(C)c1cccc(N(C)C(=O)C2CCC(F)(F)CC2)c1	160031646	GJVRIAFXZHGQHM-UHFFFAOYSA-N	295.373	4.598	70	10	CJIE	
Cc1cc(C)c([C@H](N)C2C3CC4CC(C3)CC2C4)c(C)c1	160123865	PNUCLPRJEWJBES-UMSBGXLASA-N	283.459	4.684	70	10	CJIE	
CC[C@H](c1ccccc1)[C@@H](N)Cc1ccc(F)cc1Cl	160585054	BIEAEJFVOMKDQC-WBVHZDCISA-N	291.797	4.543	70	10	CJIE	
CCN[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1C[C@@H]1CCC(C)(C)O1	160590816	KRRYYDABMKVWCK-LTIDMASMSA-N	295.511	4.775	70	10	CJIE	
CO[C@@H](C)[C@@H](C)Nc1ccc(C(C)C)cc1C(C)C	161181895	MRWPYNKJXLFCEM-KGLIPLIRSA-N	263.425	4.769	70	10	CJIE	
CN[C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1Cc1ccc(Cl)s1	217761648	QJYAGQSEBOGPEK-BZPMIXESSA-N	299.911	4.994	70	10	CJIE	
CCN[C@H]1CC[C@H](C(C)(C)C)C[C@@H]1C[C@@H](C)CC	217763478	VJGADXPHJQRFRA-VGWMRTNUSA-N	253.474	4.863	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(CO)Nc1cccc(Cl)c1	218115510	APXXTIXLIFLDSF-COXVUDFISA-N	295.854	4.575	70	10	CJIE	
C=CCCCCCCOc1cc(C)ccc1[B-](F)(F)F	2141924583	VTGARXASAFPHSV-UHFFFAOYSA-N	285.138	4.565	70	10	CJIE	
CCCC[C@H](CC)CN1CC[C@@](C)([B-](F)(F)F)C1	2303159950	SGYSSENJUGCJTH-QWHCGFSZSA-N	264.164	4.516	70	10	CJIE	
CCCN[C@@H]1CCCC[C@H]([C@@H]2C[C@@H]2c2ccccc2)C1	159524325	UWNFSXDJLHDQQS-MANSERQUSA-N	271.448	4.739	70	10	CJIE	
Cc1ccc(Cl)cc1[C@@H](O)c1cccc(CC(C)C)c1	159865745	GYVXUSZEVWMZQR-SFHVURJKSA-N	288.818	4.929	70	10	CJIE	
CCSCC[C@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1	160032613	JACCINMQELCTEP-GJZGRUSLSA-N	295.492	4.656	70	10	CJIE	
Cc1ccc([C@@H]2CNc3ccc(Cl)cc3O2)c(C)c1	160580375	OHJFRYMGGXDSOO-INIZCTEOSA-N	273.763	4.502	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](Nc1cc(F)c(F)c(F)c1)CC2	160824201	RJYYEXIBWABISH-HNNXBMFYSA-N	277.289	4.512	70	10	CJIE	
CN(C)c1cccc(NCc2ccc(C(C)(C)C)s2)c1	161109713	NBMWXFDECDRZCW-UHFFFAOYSA-N	288.460	4.724	70	10	CJIE	
CCNCc1oc2ccc(C(C)C)cc2c1CC(C)C	161360832	IRGDHVZYQFHEPK-UHFFFAOYSA-N	273.420	4.864	70	10	CJIE	
CC[C@@H](N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)c1ccc(F)cc1	218021009	DXOFBYSGMLIFIM-HJODOSNWSA-N	287.422	4.691	70	10	CJIE	
CCCCCCCCOc1c(F)cccc1[B-](F)(F)F	706994812	UZUBFJFQPSDKCB-UHFFFAOYSA-N	291.117	4.619	70	10	CJIE	
CC(C)(C)C1(CN2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)CCC1	1879766038	BSZIHSHGETYLCR-SWLSCSKDSA-N	288.186	4.516	70	10	CJIE	
CC(C)c1cccc(C23CC([B-](F)(F)F)(C2)C3)c1	1887484474	FRLSQTVHCBYKGK-UHFFFAOYSA-N	253.096	4.833	70	10	CJIE	
CCNCc1sc(-c2cc3ccccc3o2)nc1C1CC1	159477969	URSRVGUXNIIVCQ-UHFFFAOYSA-N	298.411	4.543	70	10	CJIE	
CCSCC[C@H](C)Nc1nc2c(C)cccc2s1	160424878	NNXADBDGSKGKGB-NSHDSACASA-N	280.462	4.548	70	10	CJIE	
CCC(CC)[C@H](O)c1ccc(Br)cc1Cl	161050625	XVIGJQXAAVSZOY-LBPRGKRZSA-N	291.616	4.572	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)Cc1ccc(CC)cc1	161358075	ZBKYTNBKODTWIZ-IBGZPJMESA-N	271.448	4.660	70	10	CJIE	
CCNCc1oc2c(C(C)C)ccc(C)c2c1C1CC1	161406305	WNFCQQNURTWNJR-UHFFFAOYSA-N	271.404	4.852	70	10	CJIE	
CCO[C@H](C(=O)C1C[C@@H](C)C[C@H](C)C1)C1CCCCC1	161452085	GICUYPYYTKGEOH-DEYYWGMASA-N	280.452	4.613	70	10	CJIE	
CCOc1ccc([C@H](C)N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1	217731785	PVDUOBISKOOGDX-HLLBOEOZSA-N	289.463	4.951	70	10	CJIE	
CCc1ccc([C@H](NC)[C@H](c2ccccc2)[C@H](C)CC)o1	217901123	SMYXUGNVUPIOTH-CCKFTAQKSA-N	285.431	4.932	70	10	CJIE	
CC[C@H](N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)c1ccc(O)cc1	218071485	WLZANNIHWAHMMR-ITQYTPKQSA-N	287.447	4.648	70	10	CJIE	
C[C@@H]1[C@@H](NCC[C@@H](C)c2ccccc2)CCC[C@H]1C	218074852	SGEFHXLOUPFBNQ-CBZIJGRNSA-N	259.437	4.595	70	10	CJIE	
Cc1ccc(F)c(N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1	218094396	QFJLVEPFHXRALS-ISTRZQFTSA-N	261.384	4.761	70	10	CJIE	
CCN[C@@H]1CC[C@H](CC)C[C@@H]1Oc1cccc(C(C)C)c1	218766530	NUPVWVCYVCIMRD-IPELMVKDSA-N	289.463	4.746	70	10	CJIE	
C=C(CCOc1ccc(OCCCC)cc1)[B-](F)(F)F	2107125436	HRAGKNUDTYEWIZ-UHFFFAOYSA-N	287.110	4.577	70	10	CJIE	
C[C@H](N[C@H]1CCCC[C@H]1C(C)(C)C)c1ccccc1	159815505	JHBSVTSQQWMDIG-UAGQMJEPSA-N	259.437	4.942	70	10	CJIE	
CCc1ccc([C@@H]2Oc3c(Cl)cccc3N[C@H]2C)cc1	160534601	WZMJDFBKYBFCDV-MEDUHNTESA-N	287.790	4.837	70	10	CJIE	
O[C@@H](c1ccc2c(c1)CCC2)c1cc2ccc(F)cc2s1	161220395	QTBCRAORHMWBFZ-SFHVURJKSA-N	298.382	4.611	70	10	CJIE	
CCC[C@H]1CC[C@H](NCC)[C@@H](Cc2ccccc2C)C1	217721949	GKXPSPVTBJLVCL-UHOSZYNNSA-N	273.464	4.732	70	10	CJIE	
C[C@H]1CCC[C@@H]([C@@H](N)c2cccc(Cl)c2Cl)C1	217945851	FMRQLPQPGLCKPD-IMSIIYSGSA-N	272.219	4.820	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@H]1c1cccc(Br)c1Cl	1885275609	WGRVSBNLCORYID-BQBZGAKWSA-N	298.318	4.807	70	10	CJIE	
CCCN[C@@H](c1c(C)ccc2ccccc12)C1CCC1	160937282	QEYMOXHGVJWWOV-LJQANCHMSA-N	267.416	4.989	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](O)Cc1ccc(F)cc1	160997158	VMZLDPMSQPJSNL-GOSISDBHSA-N	280.342	4.563	70	10	CJIE	
CC[C@@H]1CC[C@H](N)[C@@H](Cc2cccc3ccccc23)C1	217642842	ZCDPELYDALEOSI-BJZITVGISA-N	267.416	4.536	70	10	CJIE	
CCC[C@H]1CC[C@@H](NC)[C@@H](Cc2cc(C)cc(C)c2)C1	217699269	MZSCYVRXCWTOQI-QXAKKESOSA-N	273.464	4.650	70	10	CJIE	
CCCN[C@H](c1ccccc1OC)[C@H]1CCC[C@@H](C)C1	218032143	BIMNDGONRJZOHO-VKJFTORMSA-N	275.436	4.562	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1[C@@H](NC)c1cccc(Cl)c1F	218730911	RZMDMJDGVJAMRN-MQIPJXDCSA-N	283.818	4.956	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1O[C@@H]1C[C@@H](C)C[C@@H](C)C1	2197461131	IKKMRZFIALAKOZ-JYAVWHMHSA-N	299.165	4.507	70	10	CJIE	
O[C@H](c1cc2sccc2s1)[C@@H]1C[C@H]1c1ccccc1	160065279	KEVWEJHRSDDMSA-OZVIIMIRSA-N	286.421	4.800	70	10	CJIE	
COc1cc(N[C@H]2CC[C@@H](C)c3ccccc32)ccc1F	160132877	BFMAYGSURKVCTI-PXAZEXFGSA-N	285.362	4.885	70	10	CJIE	
CCCOc1cccc(NCc2coc3ccccc23)c1	161075905	ZUPREPHGZGJVQZ-UHFFFAOYSA-N	281.355	4.834	70	10	CJIE	
Nc1sc(C2CCCC2)nc1-c1cc(F)cc(Cl)c1	161298402	WVHZPJBLNKHBFG-UHFFFAOYSA-N	296.798	4.842	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)c1ccc(F)cc1F	161423396	BGWLFJDZIRARBR-KRWDZBQOSA-N	279.374	4.896	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc(-c3cnc(N)s3)ccc21	161493550	NSSVBEPIIYOQBY-UHFFFAOYSA-N	286.444	4.741	70	10	CJIE	
CCC[C@H]1CC[C@@H](NC)[C@@H](CCCOc2ccccc2)C1	217699629	SBMACLFFSIRMDG-JENIJYKNSA-N	289.463	4.650	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1	1882184251	JBMLKPBOGQWIOH-HZPDHXFCSA-N	291.101	4.971	70	10	CJIE	
C=C(CCSC[C@H](OC)C1CCCCC1)[B-](F)(F)F	2256653606	HMAZQVXXZOJBSP-ZDUSSCGKSA-N	295.199	4.648	70	10	CJIE	
CC(C)=C(CN(C)[C@@H]1CCCCC(F)(F)C1)[B-](F)(F)F	2340146092	ORLDNRZYOAKLCU-LLVKDONJSA-N	298.128	4.609	70	10	CJIE	
CCCN[C@H](CCC)CC[C@H]1C[C@@H]1c1ccccc1	159523018	NMCHZOOYZSLYHV-RCCFBDPRSA-N	259.437	4.739	70	10	CJIE	
CC[C@@H]1CCC[C@@H](c2nc(CC(C)C)c(CNC)s2)C1	159697536	ZQTNYLKIHZCQHB-ZIAGYGMSSA-N	294.508	4.745	70	10	CJIE	
CCCN[C@H](c1ccc(C(C)C)cc1)c1cncc(C)c1	160963397	YTZFMWRUMLWZFS-LJQANCHMSA-N	282.431	4.602	70	10	CJIE	
CCCc1c(CNC)oc2c(C(C)(C)C)cc(C)cc12	161176037	IBTVFEZXPJFYGG-UHFFFAOYSA-N	273.420	4.711	70	10	CJIE	
C[C@H]1CCCc2[nH]c(C3CCC(C(F)(F)F)CC3)nc21	216972311	AFTQKUBKINURJC-WHXUTIOJSA-N	286.341	4.686	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[C@H](c1ccccc1)[C@@H](C)N	218251408	YZMVYJJPWVYOKF-PTGCCPEKSA-N	289.463	4.552	70	10	CJIE	
CC(C)Oc1ccccc1[C@@H](C)N[C@@H]1CCC[C@@H](C)C1	218482603	RDJJDSDONMAXLM-BZUAXINKSA-N	275.436	4.703	70	10	CJIE	
C=CCCCCCCCN1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2227285608	KGUHWLDYGXCWOG-HUUCEWRRSA-N	288.186	4.826	70	10	CJIE	
CN[C@H](CC[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1	159530684	OVTAEMPZJAHEKC-GUDVDZBRSA-N	265.400	4.531	70	10	CJIE	
COc1cc(N[C@H](C)c2cc(F)c(C)cc2F)ccc1F	160077887	GYIWWJMUINZCQA-SNVBAGLBSA-N	295.304	4.594	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](N)c1ccc(F)cc1Cl	160861696	PWAPWYWQGWAJAY-SFHVURJKSA-N	299.776	4.989	70	10	CJIE	
CN[C@H](CC1CCCCC1)[C@@H]1[C@H]2CCc3ccccc3[C@@H]21	161007226	ZYMAJVGRRUUTAO-YRPNKDGESA-N	283.459	4.521	70	10	CJIE	
CC(C)CC[C@H](O)c1ccc(Br)cc1Cl	161050135	AZFCYOFPVSYARR-LBPRGKRZSA-N	291.616	4.572	70	10	CJIE	
Cc1cccc([C@]2(O)C[C@@H](C)CC[C@H]2C(C)C)c1C	217867564	FOSJOSAPTPIPDX-OWQGQXMQSA-N	260.421	4.583	70	10	CJIE	
CCCN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[C@@H](C)C1	218032964	LWBSKMPWXNHRBQ-QGPMSJSTSA-N	275.436	4.562	70	10	CJIE	
CC[C@@H](N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)C1CCCCC1	218188564	ZCMRJYNSISFNNP-GRUVHVDGSA-N	275.480	4.760	70	10	CJIE	
C[C@H]1CCC[C@H]1N[C@H](C)c1ccc(C(C)(C)C)cc1	218210349	DAPOIRZEMOYTJU-JJRVBVJISA-N	259.437	4.823	70	10	CJIE	
C=C(CO[C@@](C)(CC)CCC=C(C)C)[B-](F)(F)F	2014047571	ZLTLHSXYLJSXDS-ZDUSSCGKSA-N	263.132	4.861	70	10	CJIE	
CCSCC[C@H](C)N[C@@H](C)CC(C)(C)c1ccccc1	160037623	YAVGRUXTOCOQED-HOTGVXAUSA-N	293.520	4.864	70	10	CJIE	
O[C@H](c1cccc(C2CCC2)c1)c1cc2c(s1)CCCC2	160182089	BTUFVOSDUDQCFJ-LJQANCHMSA-N	298.451	4.976	70	10	CJIE	
Cc1cccc([C@H](C)N[C@H]2C[C@@H](C)CC(C)(C)C2)c1	160209931	GOQJSEHINBUEAO-VYDXJSESSA-N	259.437	4.860	70	10	CJIE	
CCOC(=O)c1oc(C2CCCCCCC2)nc1C1CC1	160540151	BXRFVJHZOOZOJR-UHFFFAOYSA-N	291.391	4.557	70	10	CJIE	
CCCc1cccc([C@H](CC2=CCCCC2)NC)c1	161256380	PVTHTAHQRLECDM-SFHVURJKSA-N	257.421	4.790	70	10	CJIE	
CC[C@@H](C)[C@@H](c1ccccc1)[C@@H](NC)C1=CCCC1	217884774	HQDBGIWXXSFKBP-JLSDUUJJSA-N	257.421	4.515	70	10	CJIE	
CCN[C@H](Cc1ccc(C)c(C)c1)[C@H]1CCC[C@@H](C)C1	217984736	NEAWHAYIJHLHGG-MDASCCDHSA-N	273.464	4.650	70	10	CJIE	
Cc1ccc(OCC2(C(C)(C)C)CCC2)c([B-](F)(F)F)c1	2191981295	FWFDAZIMNBMGKT-UHFFFAOYSA-N	299.165	4.645	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OCC1CCC(C)CC1	2197461303	KKPIIZMGWLFTFQ-UHFFFAOYSA-N	299.165	4.509	70	10	CJIE	
ClCc1cc2ccccc2nc1OCc1ccccc1	20469228	WLZIMAPZUAXZPV-UHFFFAOYSA-N	283.758	4.553	70	10	CJIE	
Cc1oc(C)c([C@H](O)c2cc3cccc(Cl)c3o2)c1C	159646396	FKLNNVHFIVIXIU-OAHLLOKOSA-N	290.746	4.686	70	10	CJIE	
COc1cc(N[C@@H]2CC[C@@H](C)c3ccccc32)ccc1F	160133126	BFMAYGSURKVCTI-SJKOYZFVSA-N	285.362	4.885	70	10	CJIE	
CN(C)c1cccc(NCc2csc3ccccc23)c1	161115827	ZPDJFSCRITXVSJ-UHFFFAOYSA-N	282.412	4.579	70	10	CJIE	
Cc1ccc(NC(=O)c2cc(C)c(F)cc2Cl)c(C)c1	161141804	NLTZUORAIZSMHJ-UHFFFAOYSA-N	291.753	4.657	70	10	CJIE	
C1CCC([C@H]2CCCC[C@@H]2NCCCC2CC2)CC1	161355196	XIGQVAPFRVJBRG-MSOLQXFVSA-N	263.469	4.905	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)c1ccc(OC)c(F)c1	161401498	HDXHFXHECZMOQV-QGZVFWFLSA-N	291.410	4.766	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1cc(F)cc(F)c1F	218195064	MQUNUPASHMAIAF-OSMZGAPFSA-N	285.353	4.977	70	10	CJIE	
CC(C)(C)c1ccccc1[C@H](O)[C@@H]1C[C@@H]1c1ccccc1	160051088	SORNJMXVPRDHJO-LMMKCTJWSA-N	280.411	4.821	70	10	CJIE	
Cc1ccc([C@@H](O)c2c(C)ccc3ccccc23)c(F)c1	160989159	BPGBYFCEVRBUEP-LJQANCHMSA-N	280.342	4.677	70	10	CJIE	
C[C@@H](C[C@@H](N)Cc1ccc(C(C)(C)C)cc1)C(C)(C)C	161270190	IHMLWVYYAYJQLR-WMLDXEAASA-N	275.480	4.926	70	10	CJIE	
C[C@@H]1CCCc2[nH]c(C3CCC(C(F)(F)F)CC3)nc21	216972293	AFTQKUBKINURJC-KPPDAEKUSA-N	286.341	4.686	70	10	CJIE	
CC(C)[C@H]1CC[C@H](N)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	217781853	SYEHRINJYQMXNY-LNLFQRSKSA-N	287.491	4.926	70	10	CJIE	
CC(C)Oc1ccc([C@@]2(N)C[C@@H](C)CC[C@@H]2C(C)C)cc1	217880209	TWVGVYLIFXDOKB-IPELMVKDSA-N	289.463	4.720	70	10	CJIE	
CC[C@@H](c1ccc(O)cc1)N1CCC[C@@H](C(C)C)CC1	217886119	KHUPVCZXHBDEIJ-QAPCUYQASA-N	275.436	4.601	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1cccc(CN(C)C)c1	218117193	OZKUOKOWHKVCAO-IPELMVKDSA-N	288.479	4.621	70	10	CJIE	
CC[C@H](N)[C@H](O[C@@H]1CCC[C@@H](C)C1)c1ccccc1Cl	218273297	YRBUXZRYJIVPLQ-UTJXIGIESA-N	295.854	4.714	70	10	CJIE	
CCCN[C@@H]1CCCC[C@H]1O[C@@H]1C[C@@H](C)CC(C)(C)C1	218751460	KJEWJZFSGUAVRI-QBPKDAKJSA-N	281.484	4.529	70	10	CJIE	
CCCCCCCCOc1cc([B-](F)(F)F)ccc1F	229342781	CPEOLIBWNBGOMM-UHFFFAOYSA-N	291.117	4.619	70	10	CJIE	
C=C(CCOc1ccc2sccc2c1)[B-](F)(F)F	1999703500	BGVXLCXGTGRJOL-UHFFFAOYSA-N	271.092	4.613	70	10	CJIE	
C=C(CCN1CCCC[C@H]1C1CCCCC1)[B-](F)(F)F	2115067709	ITPKLZOWWYSOGT-HNNXBMFYSA-N	288.186	4.754	70	10	CJIE	
CCN[C@H](CC1CCCCC1)c1c(F)ccc(C)c1F	161021224	ORFJEZUILPJTJW-OAHLLOKOSA-N	281.390	4.894	70	10	CJIE	
CCCN[C@@H](C)c1csc(-c2cc(F)cc(Cl)c2)n1	161275076	APOOZDQYORSLOC-VIFPVBQESA-N	298.814	4.663	70	10	CJIE	
CCCN[C@@H](CCC[C@@H]1CCCO1)CC1=CCCCC1	161418836	ZKAWQXLRZUFZDD-ZWKOTPCHSA-N	279.468	4.594	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1CCOc1ccccc1	217754009	YXWORTRNRPDVGV-LZLYRXPVSA-N	289.463	4.506	70	10	CJIE	
CC[C@H]1CC[C@H](CN)[C@@H](Cc2ccc(C(F)(F)F)cc2)C1	218648135	QARCEHDKPVBLOZ-NWANDNLSSA-N	299.380	4.649	70	10	CJIE	
CC[C@@H]1CC[C@H](CN)[C@@H]([C@@H]2CCOC3(CCCCC3)C2)C1	218671083	SRHFAYGHBIXMMR-BRSBDYLESA-N	293.495	4.517	70	10	CJIE	
CCCN[C@@H]1CCC[C@@H](S[C@@H]2CCC[C@@H](C)C2)C1	218761130	NECHYZMZDYRERX-KLHDSHLOSA-N	269.498	4.609	70	10	CJIE	
C=C(COC[C@H]1C[C@H]1C1CCCCCC1)[B-](F)(F)F	2080288055	KEIAUGSSRLWPLZ-KGLIPLIRSA-N	275.143	4.552	70	10	CJIE	
CCC[C@H](CNC(C)(C)C)[C@H]1C[C@@H]1c1ccccc1	159387566	ZJAHFOVUNBENCE-BRWVUGGUSA-N	259.437	4.595	70	10	CJIE	
CCNC[C@@H](Cc1c(C)cc(C)cc1C)C1CCCC1	159929588	VVBSTFARDJNJPM-GOSISDBHSA-N	273.464	4.570	70	10	CJIE	
C[C@@H]1CC(N[C@H](C)c2ccc(Cl)cc2)C[C@H](C)C1	159964524	JQRPSDIYABIYOU-RYFSFTGQSA-N	265.828	4.815	70	10	CJIE	
CN[C@@H](c1ccc2c(c1)CCCC2)c1cccc(C)c1Cl	160285870	COUVDNKUQJCOEG-IBGZPJMESA-N	299.845	4.836	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)c1ccc(F)cc1F	160813187	DBGKILUNQSVOAN-UHFFFAOYSA-N	282.289	4.657	70	10	CJIE	
CCN(C(=O)Nc1ccc(Cl)c(Cl)c1)C(C)(C)C	217267802	ABMCINORBGFNSA-UHFFFAOYSA-N	289.206	4.646	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NCC)[C@@H](Cc2cccc(F)c2)C1	217713132	YQVVGMBJKKTJFA-QGPMSJSTSA-N	277.427	4.563	70	10	CJIE	
CCC(CC)CN(CC)[C@H](C(C)C)[C@@H](O)c1ccccc1	218529601	ZOWVMADYOJJRAT-MOPGFXCFSA-N	291.479	4.503	70	10	CJIE	
C[C@H]1C[C@H](C)CCN1[C@@H]1CCCCCCCCCC[C@@H]1N	218721088	LWNVOPNLXMONIX-YDZRNGNQSA-N	294.527	4.717	70	10	CJIE	
C[C@H]1CCN([C@@H]2CCCCCCCCCC[C@@H]2N)[C@@H](C)C1	218721166	LWNVOPNLXMONIX-CADBVGFASA-N	294.527	4.717	70	10	CJIE	
Cc1c(COCC2(C)CCCCC2)cccc1[B-](F)(F)F	2283571376	XHQNSMUYPOTLJV-UHFFFAOYSA-N	299.165	4.536	70	10	CJIE	
CC(C)=C(CSc1cc(F)cc(F)c1)[B-](F)(F)F	2301955802	MMPMPGKLSYUWMV-UHFFFAOYSA-N	281.078	4.780	70	10	CJIE	
O[C@H]([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H]1C[C@H]1c1ccccc1	160033068	KJPNHFOXVBTDAJ-AZRHEHLBSA-N	284.443	4.758	70	10	CJIE	
CCCN[C@@H](Cc1ccc(F)cc1Cl)c1ccc(C)o1	160597915	CWIUYEKBTZJZFD-HNNXBMFYSA-N	295.785	4.664	70	10	CJIE	
CCCN[C@@H]1c2ccccc2C[C@H]1C[C@@H](C)CCC	217624317	PPQFJMGOIUCNNT-LESCRADOSA-N	259.437	4.726	70	10	CJIE	
CCCN[C@@H]1CC[C@@H](CCC)C[C@@H]1Cc1ccccc1F	217735041	OPGGJZHAXMFEDK-SZVBFZGTSA-N	291.454	4.953	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@@H](O)[C@@H](Cc2ccc(Cl)cc2)C1	218307513	XTINERUTRKTCSK-SQWLQELKSA-N	280.839	4.706	70	10	CJIE	
CCC[C@@H]1CC[C@@H](N)[C@@H](c2ccc(C(C)C)cc2)C1	218487993	YJZSZRORZGMPAQ-ZTFGCOKTSA-N	259.437	4.821	70	10	CJIE	
C[C@H](CN1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1)C1CCCCC1	1879766974	IJAISDRETPHIJZ-BPLDGKMQSA-N	288.186	4.516	70	10	CJIE	
C=C(CCSc1ccc2c(c1)CCC2)[B-](F)(F)F	1999700307	LETLIYZPJDUDRT-UHFFFAOYSA-N	271.136	4.600	70	10	CJIE	
C=C(CCOc1cc(C(C)C)ccc1C)[B-](F)(F)F	2044980594	WGVHFVLMAAZCCI-UHFFFAOYSA-N	271.111	4.830	70	10	CJIE	
CC1(C)CC[C@H](CCN2CC[C@@](C)([B-](F)(F)F)C2)C1	2321608916	UIHJXDXSSVANHP-TZMCWYRMSA-N	276.175	4.516	70	10	CJIE	
CC(C)=C(CN(C)[C@H]1CCCC[C@H]1C1CC1)[B-](F)(F)F	2340144005	IMEOTVXFIVKPNM-ZFWWWQNUSA-N	288.186	4.610	70	10	CJIE	
CCCCCCCCC(=O)N1CC[C@](C)([B-](F)(F)F)C1	2342481562	IRLROPGLIRBRIG-AWEZNQCLSA-N	292.174	4.577	70	10	CJIE	
Cc1cccc([C@H](O)c2cccc(CC(C)C)c2)c1Cl	159862125	GLAULHFQTCKEGR-GOSISDBHSA-N	288.818	4.929	70	10	CJIE	
CCC[C@@H](C)C[C@H](O)c1ccc(Cl)c2cccnc12	160426478	QIYFOBSRSBBZGT-ABAIWWIYSA-N	277.795	4.748	70	10	CJIE	
CN[C@H](CC1CCCCC1)c1cccc(OC(F)F)c1	161044388	WWLZGYZFFSXLQS-OAHLLOKOSA-N	283.362	4.519	70	10	CJIE	
CCCc1cccc(C(=O)[C@]2(OCC)CCC[C@@H](C)C2)c1	161166963	MFKGAKUCZXVJNB-BEFAXECRSA-N	288.431	4.807	70	10	CJIE	
CC(C)(C)c1ccc(C[C@H](N)c2sccc2Cl)cc1	161285466	DCYJBYZPQQHECP-AWEZNQCLSA-N	293.863	4.942	70	10	CJIE	
C[C@@H]1C[C@H](O[C@H](C)c2ccc(N)cc2)CC(C)(C)C1	217356008	MENXKLIIIBIWON-IOASZLSFSA-N	261.409	4.561	70	10	CJIE	
C[C@H]1C[C@H](C)CC[C@@H]1Nc1cc(Cl)nc(C(C)(C)C)n1	217459754	NADLUFVCBWOAND-WOPDTQHZSA-N	295.858	4.664	70	10	CJIE	
C=C(CSC12CC3CC(CC(C3)C1)C2)[B-](F)(F)F	2216260406	XKKGMNPBSHUQJB-UHFFFAOYSA-N	275.168	4.631	70	10	CJIE	
CC1(C)CC(CN2CC[C@@H]([B-](F)(F)F)C2)CC(C)(C)C1	2342454858	UOUSSQPHIJQWGR-CYBMUJFWSA-N	290.202	4.762	70	10	CJIE	
CCCN[C@H](C)c1cccc(Oc2ccc(F)cc2C)c1	160587691	WHRMLLQAQQAWEW-CQSZACIVSA-N	287.378	4.987	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](N[C@@H](C)C1CCCCCC1)CC2	160838123	UAFZFOSHKXMPDN-KXBFYZLASA-N	271.448	4.931	70	10	CJIE	
CCN[C@@H](Cc1ccc(CC)s1)c1c(C)oc(C)c1C	161102091	BZWQZKMJGZRFSN-INIZCTEOSA-N	291.460	4.722	70	10	CJIE	
C[C@H](CCN[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)c1ccccc1	218139075	UZAPHVZDYOVTIO-MJKGWSOKSA-N	285.475	4.985	70	10	CJIE	
O=C(N/C=C/C1CCCC1)Nc1cc(Cl)ccc1Cl	218583181	KUGVUVUAXXOLCW-BQYQJAHWSA-N	299.201	4.819	70	10	CJIE	
CCN[C@@H](CCC1CCCC1)Cc1ccc(F)cc1Cl	160578535	FFNJSVMMHNQTIU-INIZCTEOSA-N	297.845	4.970	70	10	CJIE	
Cc1ccc(C)c(C[C@]2(O)C[C@@H](C)CC[C@H]2C(C)C)c1	217864935	FDZIKWWHOWUTIP-ZYSHUDEJSA-N	274.448	4.669	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCCNc1cccc(F)c1	217894514	LKPZCQXKXHKWNV-JLSDUUJJSA-N	293.426	4.715	70	10	CJIE	
C[C@@H]1CC[C@H](CN)[C@@H](C[C@@H]2CCCc3ccccc32)C1	218632711	KBFCISBMIFRYAY-BZZMCLGOSA-N	271.448	4.508	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1OC[C@H](C)C1CCCCC1	313160177	HPLZDGRNCGFQPU-ZDUSSCGKSA-N	299.165	4.645	70	10	CJIE	
C=C(CCOC1CC(CC(C)(C)C)C1)[B-](F)(F)F	2014693839	NJMDGIAFNBSRBP-UHFFFAOYSA-N	263.132	4.551	70	10	CJIE	
CC(C)=C(CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)[B-](F)(F)F	2340335200	UYGFOQYWEHRUFL-UXIGCNINSA-N	289.170	4.941	70	10	CJIE	
CCc1ccc([C@H](N)c2c(C)ccc3ccccc23)cc1	160842557	OPTKYQWUEUMJLY-FQEVSTJZSA-N	275.395	4.759	70	10	CJIE	
CCCN[C@@H](Cc1ccc(Cl)s1)c1ccc(CC)o1	160888873	LKUHUBJIWRHYEY-ZDUSSCGKSA-N	297.851	4.840	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](O)[C@@H]1C[C@@H]2CC[C@@H]1C2	161001184	LJUFNGXBHZVXTR-LRCYWBKYSA-N	266.384	4.618	70	10	CJIE	
CN[C@H]1CC[C@H](C(C)C)C[C@@H]1CCCc1ccccc1	217789088	BWGXGIRTUJFBPG-FHWLQOOXSA-N	273.464	4.670	70	10	CJIE	
CCN[C@H](c1ccc(C)cc1C)[C@H]1CCC[C@@H](C)C1	217976694	QJFJEALLJBTPQW-SKDZVZGDSA-N	259.437	4.780	70	10	CJIE	
FC(F)(F)c1cc(N[C@H]2C[C@H]3CC=C[C@@H]23)ccc1Cl	217985045	UINRMBVFBDRIAB-JQEORGNBSA-N	287.712	4.735	70	10	CJIE	
Cc1nc2cc(N[C@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)ccc2o1	218088187	ZMMQFVUOZHJPDB-ULFGMLNVSA-N	284.403	4.763	70	10	CJIE	
CCCc1cccc([C@H](O)c2ccc(Cl)c(C)c2)c1	159829260	JTYSILPPLDOMEI-KRWDZBQOSA-N	274.791	4.683	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)C1(C)CCCC1	160826173	CUVKOKHPNDWMIS-UHFFFAOYSA-N	252.357	4.911	70	10	CJIE	
C[C@@H](Nc1cccc(N(C)C)c1)c1ccc(F)c(Cl)c1	161072856	DFXGEXPDKYDIGA-LLVKDONJSA-N	292.785	4.718	70	10	CJIE	
Cc1cccc(C[C@@H](O)c2cc3ccc(F)cc3s2)c1	161264013	ZYIMCLWHFUVAKS-OAHLLOKOSA-N	286.371	4.625	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)Cc1ccc(F)cc1Cl	161322183	HMQOSCSTCFBTQY-INIZCTEOSA-N	295.829	4.890	70	10	CJIE	
CN[C@H]1CC[C@H](C)C[C@@H]1Cc1ccc(C(C)(C)C)cc1	217632742	OBDCRIXDKROQSY-LESCRADOSA-N	273.464	4.551	70	10	CJIE	
CN[C@H]1CC[C@H](C(C)(C)C)C[C@@H]1Cc1cccc(Cl)c1	217759509	FTKBKDCOJXGGFF-ZOBUZTSGSA-N	293.882	4.933	70	10	CJIE	
CCC[C@@H]1CC[C@@H](O)[C@@H](Cc2c(F)cccc2Cl)C1	218295127	YGVSEOVMFQJCAI-XHBSWPGZSA-N	284.802	4.599	70	10	CJIE	
F[B-](F)(F)/C=C/c1cccc(-c2ccsc2)c1	309637299	OYDPISSJNLAOEB-GQCTYLIASA-N	253.077	4.815	70	10	CJIE	
CC(=C[B-](F)(F)F)c1ccc(Cl)cc1Cl	1912951416	KOXVYVLVUNDAQV-UHFFFAOYSA-N	253.867	4.783	70	10	CJIE	
Cc1cccc2cc(C=C[B-](F)(F)F)c(Cl)nc12	1912956544	ICXBFYJHHJTCNR-UHFFFAOYSA-N	270.470	4.596	70	10	CJIE	
COc1cc(N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)ccc1F	160051094	PLLFAGUMWDEAKY-JGGQBBKZSA-N	279.399	4.707	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](O)CC[C@H]1CCCCO1	160985513	IYIGKYJQASWWRU-SJLPKXTDSA-N	284.399	4.531	70	10	CJIE	
CCCC1CCC(Nc2ccc(C)c(N(C)C)c2)CC1	161224518	HBWIMVZNQJNOAK-UHFFFAOYSA-N	274.452	4.832	70	10	CJIE	
C1CCC([C@@H]2CCCC[C@@H]2NCCCC2CC2)CC1	161355074	XIGQVAPFRVJBRG-ROUUACIJSA-N	263.469	4.905	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)c1cccc(OC)c1	161408317	IWVJSGBIXBMVEF-SFHVURJKSA-N	273.420	4.626	70	10	CJIE	
CCCNCc1ccc2c(c1)C(C)(C)CCC2(C)C	161489899	MUOKTRPFFRLQTG-UHFFFAOYSA-N	259.437	4.535	70	10	CJIE	
CC[C@H]1CCCC[C@H]1N[C@H](c1ccccc1)C1CC1	217517438	HWJZCGSSIKVANX-BMGDILEWSA-N	257.421	4.696	70	10	CJIE	
CCCCCN(C(C)C)[C@@H](c1ccc(F)cc1)[C@@H](N)CC	217826075	GLSZSZPIKIJTAH-ROUUACIJSA-N	294.458	4.505	70	10	CJIE	
CC[C@H](C)[C@H](c1ccccc1)[C@@H](NC)C1=CCCCC1	217883002	GJMQBOVXEVCGKA-IPELMVKDSA-N	271.448	4.905	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCCN[C@@H]1CCCC[C@@H]1C	217892412	YPIOZBKYMSDEQH-ZRSRNVLSSA-N	295.511	4.632	70	10	CJIE	
CC[C@@H](N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)c1ccc(O)cc1	218071411	WLZANNIHWAHMMR-KNIMUDFMSA-N	287.447	4.648	70	10	CJIE	
CCCCCCCCN1CC[C@@](C)([B-](F)(F)F)C1	2303156462	DKEYAXTVZJKWII-CYBMUJFWSA-N	264.164	4.660	70	10	CJIE	
CC1(C)CC[C@@H](CCN2CC[C@@](C)([B-](F)(F)F)C2)C1	2321608913	UIHJXDXSSVANHP-GXTWGEPZSA-N	276.175	4.516	70	10	CJIE	
Cc1ccc(C)c(C[C@H](CNCC(C)C)C2CCCC2)c1	160020164	AQDNFZLZHIXFSA-HXUWFJFHSA-N	287.491	4.898	70	10	CJIE	
CC(C)c1ccc([C@H](O)C2C3CC4CC(C3)CC2C4)cc1	160217652	QZAHQIYXJGQBGJ-NQFMDCMHSA-N	284.443	4.916	70	10	CJIE	
O[C@@H](CCC1CCCCC1)Cc1ccc(Cl)cc1F	160379034	LECPAABSQDTTJN-HNNXBMFYSA-N	284.802	4.743	70	10	CJIE	
CC(C)CNCc1oc2c(F)cc(F)cc2c1C(C)C	161227133	MDTXXAUGOTUALL-UHFFFAOYSA-N	281.346	4.580	70	10	CJIE	
CC1(C)CC[C@@H](CC2(CO)CCC(C(C)(C)C)CC2)O1	161306737	MDGDWHAYWLQYOL-CSLYMUCUSA-N	282.468	4.549	70	10	CJIE	
CCCc1ccc([C@H](NCC)[C@H]2CCCCS2)cc1	161361627	DSNZVNWLTWEKED-SJORKVTESA-N	277.477	4.575	70	10	CJIE	
Cc1cccc(OCc2cccc(C(F)(F)F)c2)c1C	217403072	GFCUULSRXSOSJB-UHFFFAOYSA-N	280.289	4.901	70	10	CJIE	
CC[C@H](C)c1ccccc1O[C@H]([C@@H](N)CC)C(C)(C)C	218241647	MFNMRQQBPBOFAC-JLJPHGGASA-N	277.452	4.731	70	10	CJIE	
CC(C)(C)/C=C/NC(=O)Nc1cccc(Cl)c1Cl	218541220	GPKBKCZSOHTTAO-BQYQJAHWSA-N	287.190	4.675	70	10	CJIE	
CCc1ccc(C[C@H](N)c2ccccc2C(F)(F)F)s1	161093307	UKCVZTGPZHWANJ-AWEZNQCLSA-N	299.361	4.572	70	10	CJIE	
CCCOc1cccc2c(C3CC3)c(CNC(C)C)oc12	161400048	IBDQNQZFWGNBES-UHFFFAOYSA-N	287.403	4.597	70	10	CJIE	
CCN[C@H](c1cc(C)ccc1F)[C@@H]1CCC[C@@H](C)C1	217981355	NWPSASQTDDQKLK-MRRJBJDNSA-N	263.400	4.611	70	10	CJIE	
Cc1ccc(NC(=O)NC=C2CCCCC2)cc1Cl	218664637	RCQABDABNABJPL-UHFFFAOYSA-N	278.783	4.618	70	10	CJIE	
Cc1cc([C@H]2C[C@H]2[B-](F)(F)F)sc1Br	1884017849	NEQFXWOGZGENNJ-NTSWFWBYSA-N	283.929	4.524	70	10	CJIE	
F[B-](F)(F)[C@@]12C[C@H]1CCN(CCCCCCC1CC1)C2	2225789115	VVIBNQISCWZVEK-HUUCEWRRSA-N	288.186	4.660	70	10	CJIE	
C[C@@]1(CN2CCC([B-](F)(F)F)CC2)CCCCC1(F)F	2231063398	ULEDBHBVCLRAQW-LBPRGKRZSA-N	298.128	4.515	70	10	CJIE	
CC(C)=C(CN(C)CC12CCC(CC1)CC2)[B-](F)(F)F	2340331570	OZVVUMCUZMBYLN-UHFFFAOYSA-N	288.186	4.612	70	10	CJIE	
CCCCC[C@@H](NCCC)C1(OCC)CCCCC1	159881472	XGNZHFQQZMMKPW-MRXNPFEDSA-N	269.473	4.674	70	10	CJIE	
O[C@@H](CCC1CCCCC1)c1cccc(OC2CC2)c1	159946224	MLIFWYVUHYNIJX-SFHVURJKSA-N	274.404	4.622	70	10	CJIE	
Cc1ccc2oc(CNCC(C)C)c(CC(C)C)c2c1	161122186	YUFYGWJNAHTJFG-UHFFFAOYSA-N	273.420	4.685	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1ccc(F)c(F)c1F	161350970	XFQCDWVRTNOVAB-CQSZACIVSA-N	283.337	4.645	70	10	CJIE	
CCOC1(C(=O)[C@@H]2CCC[C@H](CC)C2)CCCCCC1	161361159	FUNCRCGHEXQMHK-JKSUJKDBSA-N	280.452	4.901	70	10	CJIE	
CCC[C@@H]1CC[C@@H](N)[C@@H](c2ccc(C(F)(F)F)cc2)C1	218479183	PEXSPSNEVMMWAI-KCPJHIHWSA-N	285.353	4.717	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](Cc2ccc(Cl)cc2)C1	218749115	DEYXXMVBLXLUJN-FVQBIDKESA-N	279.855	4.674	70	10	CJIE	
C=C(CCOc1cc(Cl)cc(Cl)c1)[B-](F)(F)F	1978068130	UMMNCRMLWWIUQL-UHFFFAOYSA-N	283.893	4.705	70	10	CJIE	
Fc1c([C@H]2C[C@@H]2[B-](F)(F)F)cccc1C(F)(F)F	2009403628	DVKPGXYOWVFRIL-SVRRBLITSA-N	270.964	4.549	70	10	CJIE	
CC(C)=C(CN1CCC[C@@H](C(C)(C)C)CC1)[B-](F)(F)F	2340335063	SWOFZAOQVNOTDJ-CYBMUJFWSA-N	290.202	4.858	70	10	CJIE	
Cc1cc(F)ccc1Oc1cccc(NC(C)(C)C)n1	160684865	ZZCIECCBGZHEMT-UHFFFAOYSA-N	274.339	4.532	70	10	CJIE	
CCc1ccc([C@@H](N)c2c(C)ccc3ccccc23)s1	160868382	YVUUAYSGXKCDSU-GOSISDBHSA-N	281.424	4.820	70	10	CJIE	
CCCN[C@H](CC[C@H]1CCCCO1)CC1CCCCC1	161073916	IEUCBBJJWOCLHZ-QZTJIDSGSA-N	281.484	4.674	70	10	CJIE	
CCNCc1oc2cc3c(cc2c1C(C)C)CCCC3	161448785	QIXVRRWBMIZSDF-UHFFFAOYSA-N	271.404	4.545	70	10	CJIE	
CCCCC1CCC([C@H](NN)[C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1	217317891	WXTANGISOKEFPJ-ILOOSNLDSA-N	294.527	4.887	70	10	CJIE	
CCN[C@@H](c1ccc(OC(C)C)cc1)[C@H]1CCC[C@@H](C)C1	217975812	PLFAIGYWCURMRA-AYBZRNKSSA-N	289.463	4.951	70	10	CJIE	
Cc1ncsc1[C@H](C)N[C@H]1C[C@@H](C)CC[C@H]1C(C)C	218161151	ZKMHIVJDNSXORR-MXAVVETBSA-N	280.481	4.563	70	10	CJIE	
Cc1ccc([C@H](CN)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)s1	218252768	NSCMKMNVTPHKEV-UKMLZYKCSA-N	295.492	4.534	70	10	CJIE	
CC(C)(C)c1ccccc1CN1CCC[C@@H]([B-](F)(F)F)C1	2190464515	MCUNHIKTROTFNZ-CQSZACIVSA-N	298.181	4.798	70	10	CJIE	
C[C@H](Cl)CCOc1ccccc1-c1ccccc1	82170870	GSWLLKDXDNHDIB-ZDUSSCGKSA-N	260.764	4.750	70	10	CJIE	
CC(C)[C@](C)(CNC(C)(C)C)[C@H]1C[C@@H]1c1ccccc1	159489191	ZIZIFAXAJTYRNG-AOIWGVFYSA-N	273.464	4.841	70	10	CJIE	
CCCCC[C@@H](NCCC)c1ccc(OC(F)F)cc1	159574093	UNZJKYHATOUIEK-OAHLLOKOSA-N	285.378	4.909	70	10	CJIE	
CCOC1(C(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)CCC(C)CC1	160998228	QZPDABJWTICPDV-DSZOFWSKSA-N	280.452	4.613	70	10	CJIE	
CCc1ccc(C[C@H](N)C2(CC(C)C)CCCC2)s1	161131434	HLVPAFFCPRVVQX-INIZCTEOSA-N	279.493	4.787	70	10	CJIE	
CCCN[C@@H](C1CCC(CC)CC1)[C@H]1CCCCS1	161457976	QWZVTHJIORJJGO-BACDZXNISA-N	283.525	4.857	70	10	CJIE	
C[C@H](O[C@@H](c1ccc(Cl)s1)[C@H](C)N)c1ccccc1	217931890	MGZDSGHOXCNHPG-ZIBATOQPSA-N	295.835	4.568	70	10	CJIE	
Cc1c(Cl)cccc1NC(=O)N/C=C/C1CCCCC1	218623503	FXNPMTFCPUTXPJ-ZHACJKMWSA-N	292.810	4.864	70	10	CJIE	
CC[C@H]1CC[C@@H](CN)[C@@H](Cc2c(C)cc(C)cc2C)C1	218675832	WYSFNARRKJZZOW-OKZBNKHCSA-N	273.464	4.556	70	10	CJIE	
Cc1cc(Br)c(F)c([C@H]2C[C@H]2[B-](F)(F)F)c1	1975298861	OPSRQJNAAMSEES-HTRCEHHLSA-N	295.890	4.602	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OCCCC[C@@H]1C[C@H]1C	2280465944	LQVGKMIWVJYHEW-TZMCWYRMSA-N	299.165	4.509	70	10	CJIE	
CCC1([C@@H](O)c2cccc(CC(C)C)c2)CCCC1	159840320	GKJRYFCMFFYQCK-KRWDZBQOSA-N	260.421	4.889	70	10	CJIE	
CCN[C@H](c1ccc(Cl)cc1)C(CC)(CC)OCC	159872946	PYNAQJROLJNETK-OAHLLOKOSA-N	283.843	4.586	70	10	CJIE	
FC(F)(F)c1cccc([C@@H]2CCNC[C@H]2C2CCCC2)c1	160122445	FOHOIWYWNJWDKS-HOTGVXAUSA-N	297.364	4.589	70	10	CJIE	
CCCN[C@H](C)c1cc(F)ccc1N1CC[C@@H](CCC)C1	160391551	OVAKHTXMKZFRST-HUUCEWRRSA-N	292.442	4.513	70	10	CJIE	
C[C@@H]1CCC[C@H](CCNCc2ccc(Cl)cc2F)C1	160828268	XYMNFZRPOAKANK-CHWSQXEVSA-N	283.818	4.785	70	10	CJIE	
Cc1ccc(N[C@@H](C)c2ccccc2Cl)cc1N(C)C	161191858	PVWLXGJZCXETGB-ZDUSSCGKSA-N	288.822	4.888	70	10	CJIE	
Cc1ccc(N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)cc1N(C)C	161197906	VGGPZZGVOQRHEW-POZUXBRTSA-N	286.463	4.688	70	10	CJIE	
CC(C)CNCc1oc2cc3c(cc2c1C1CC1)CCC3	161298157	LVIPWPKKEIHZEN-UHFFFAOYSA-N	283.415	4.545	70	10	CJIE	
CCCN[C@H](c1cc(C)sc1C)c1sccc1OC	161505532	DWRZATXAUIKCGL-CQSZACIVSA-N	295.473	4.524	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCCNc1ccccc1	217890228	PPLDUSNOLYNCIK-JQHSSLGASA-N	275.436	4.576	70	10	CJIE	
CCCCCC[C@H](C)OCCN[C@@H]1CCC[C@@H](C)C1	217911268	GONYWPNAILFFON-IXDOHACOSA-N	269.473	4.530	70	10	CJIE	
CCCN[C@@H](Cc1ccccc1C)[C@H]1CCC[C@@H](C)C1	218030420	JSHREBNUDYHFIP-MNEFBYGVSA-N	273.464	4.732	70	10	CJIE	
CC1(C)[C@H]2CC[C@](C)(C2)[C@@]1(O)c1cc(F)ccc1Cl	218482907	GCSISLCBKIMRTD-AMKSKSKJSA-N	282.786	4.513	70	10	CJIE	
CCCN[C@H](CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(C)(C)C	218783510	SOEFOXICDSYCGM-BSDSXHPESA-N	297.527	4.878	70	10	CJIE	
F[B-](F)(F)C=Cc1cc(Cl)ccc1Br	1911920159	NXBBGPQGFBJIOG-UHFFFAOYSA-N	284.291	4.502	70	10	CJIE	
C=C(CCO[C@H]1C[C@@H](C)CC(C)(C)C1)[B-](F)(F)F	1999702663	QLJKEFWNMXJOIJ-PWSUYJOCSA-N	263.132	4.551	70	10	CJIE	
Cc1c(Br)sc(/C=C/[B-](F)(F)F)c1C	2241382069	GETLZPGJHUVXQA-ONEGZZNKSA-N	283.929	4.527	70	10	CJIE	
CC(C)=C(COC[C@H]1CCC(C)(C)C1)[B-](F)(F)F	2302788451	ZZHVHILXUJITOX-NSHDSACASA-N	263.132	4.552	70	10	CJIE	
c1ccc2c(c1)Cc1cc(N[C@H]3C[C@H]4CC[C@H]3C4)ccc1-2	218064142	XPKRZMNSEOZYLK-KPHUOKFYSA-N	275.395	4.858	70	10	CJIE	
CC[C@@H]1CC[C@H](N)[C@@H](c2ccc(C(C)(C)C)cc2)C1	218431466	HDJTVHSKFZSEFV-XYPHTWIQSA-N	259.437	4.605	70	10	CJIE	
CC(C)=C(CSCC[C@H](C)C(F)F)[B-](F)(F)F	1901713148	ZSXDKXBMJGJORS-QMMMGPOBSA-N	275.115	4.734	70	10	CJIE	
CC(C)(C)[C@H]1CCCC[C@@]1(O)c1cccc2[nH]ccc12	159433713	LQVRMEZLWWPTRJ-SJLPKXTDSA-N	271.404	4.592	70	10	CJIE	
FC(F)(F)[C@H]1CCCC[C@H]1NCc1coc2ccccc12	161082880	JHRFUDODMXRQQF-UONOGXRCSA-N	297.320	4.644	70	10	CJIE	
N[C@]1(c2ccc(Cl)c(Cl)c2)C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217897216	XMGJCFBEJGSBJI-NDPRJGJWSA-N	296.241	4.604	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)s1)[C@H]1CCC[C@@H](C)C1	217987892	XBTDLPGDZFFJKI-JKIFEVAISA-N	279.493	4.657	70	10	CJIE	
Cc1ccc([C@H](O)c2cc3cccc(F)c3o2)cc1Cl	159506128	ZSDTZMOZUNJWGE-HNNXBMFYSA-N	290.721	4.615	70	10	CJIE	
COc1cc(N[C@H]2CCC[C@H](C(C)C)CC2)ccc1F	159971246	YPPVJJTVQAKEJD-KBPBESRZSA-N	279.399	4.851	70	10	CJIE	
CC(C)Oc1ccccc1NCc1ccc(Cl)cc1F	160751457	IROXUHOEVNUQTB-UHFFFAOYSA-N	293.769	4.878	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](N)C1CCCCC1	160863656	FQJYADVGNXEBDB-SFHVURJKSA-N	253.389	4.728	70	10	CJIE	
CC(C)Oc1ccccc1C(=O)CC1=CCCCC1	161019478	ZHZZDCJBNHHCIM-UHFFFAOYSA-N	258.361	4.547	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1NCc1c[nH]c2ccccc12	217523155	URGUURHNNZPRJG-GMBSWORKSA-N	284.447	4.718	70	10	CJIE	
F[B-](F)(F)C=Cc1cc(Br)ccc1Cl	1911918777	JRNPMNYVDUBEIZ-UHFFFAOYSA-N	284.291	4.502	70	10	CJIE	
COc1cc(N[C@H]2CC[C@H](C)c3ccccc32)ccc1F	160132990	BFMAYGSURKVCTI-SJCJKPOMSA-N	285.362	4.885	70	10	CJIE	
Clc1cccc(NCc2nc3ccc(Cl)cc3o2)c1	160483668	SGJYVODYEPZOEW-UHFFFAOYSA-N	293.153	4.747	70	10	CJIE	
CCN[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(C)o1	160484220	VITOMOSWUAMLEI-AWEZNQCLSA-N	298.213	4.788	70	10	CJIE	
N[C@@H](Cc1ccc(F)cc1Cl)CC1CCCCCC1	160619916	JTJUODVPWNRBCB-OAHLLOKOSA-N	283.818	4.709	70	10	CJIE	
CNCc1oc2c(C)cc(C(C)(C)C)cc2c1CC(C)C	161410696	XIBKCZFQZKMKHT-UHFFFAOYSA-N	287.447	4.957	70	10	CJIE	
CCOCc1ccccc1N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218085955	CTAYLGKULFSQBJ-HHXXYDBFSA-N	287.447	4.850	70	10	CJIE	
CCOc1ccc(N[C@@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c(C)c1	218110778	HZGUVYUNUFDBMR-PVEBQJOJSA-N	285.431	4.630	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1cc(F)cc(F)c1F	218195291	MQUNUPASHMAIAF-SUHUHFCYSA-N	285.353	4.977	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@H](N)[C@@H](c2ccc(Cl)cc2F)C1	218549815	LOFYAYLSLBRCOG-YVLXSGLVSA-N	283.818	4.736	70	10	CJIE	
Fc1c(Cl)cc(/C=C\[B-](F)(F)F)c(F)c1Cl	309645361	YAPRJHRZAIXLSJ-UPHRSURJSA-N	275.820	4.671	70	10	CJIE	
CCC1CCC([C@H](NC)c2c(Cl)cnn2C(C)C)CC1	160438000	TWKNERXAKVXXPB-PIMMBPRGSA-N	297.874	4.594	70	10	CJIE	
CC[C@@H]1Nc2ccc(Cl)cc2O[C@H]1c1ccccc1	160573684	QXHZRSWWWHIDQA-BBRMVZONSA-N	273.763	4.664	70	10	CJIE	
O[C@H](CC1=CCCCC1)c1cccc(C(F)(F)F)c1	161060132	AYQQYZABYDEYEQ-CQSZACIVSA-N	270.294	4.629	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)c1cccc(OC(C)C)c1	161266309	BIAINVDROKZFQN-SFHVURJKSA-N	273.420	4.625	70	10	CJIE	
Cc1ccc(F)c2oc(CNCC(C)C)c(CC(C)C)c12	161490090	LAUQFVMGXIKCGA-UHFFFAOYSA-N	291.410	4.824	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCCCNc1ccccc1	217887319	NVKINLNAXILJNA-WDSOQIARSA-N	289.463	4.966	70	10	CJIE	
CCCN[C@H](c1ccc(C)cc1)[C@@H]1CCC[C@@H](C)C1	218030554	GOEUYLURGGXMKB-KBAYOESNSA-N	259.437	4.862	70	10	CJIE	
CC[C@@H]1CC[C@H](CN)[C@@H](C[C@@H]2CSc3ccccc32)C1	218703378	AVZRPUICUKDQGV-KLHDSHLOSA-N	289.488	4.667	70	10	CJIE	
CCO[C@@](C)(CC)C(=O)c1ccc(-c2ccccc2)cc1	160608454	AWTPPSQNIWKMRK-IBGZPJMESA-N	282.383	4.742	70	10	CJIE	
CCOC1(C(=O)c2ccc(F)c(F)c2)CCC(C)(C)CC1	161249444	FZYJMMFRORPFOE-UHFFFAOYSA-N	296.357	4.523	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)Cc1csc2ccccc12	161280053	SYMTZHWRLITRQP-INIZCTEOSA-N	285.456	4.922	70	10	CJIE	
N[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1Cc1ccc(Cl)cc1	217766528	FSUFSBKBPSPYCK-ZIFCJYIRSA-N	299.845	4.794	70	10	CJIE	
CC(C)Oc1ccccc1[C@@H](C)N[C@H]1CCC[C@@H](C)C1	218482681	RDJJDSDONMAXLM-OAGGEKHMSA-N	275.436	4.703	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1OCCCCCC(C)C	383192245	WZNCUNCFYSHKEL-UHFFFAOYSA-N	287.154	4.645	70	10	CJIE	
COc1cc(Cl)c([C@H]2C[C@H]2[B-](F)(F)F)cc1Cl	2243330227	MNXQVEVSMUNUSU-IYSWYEEDSA-N	283.893	4.707	70	10	CJIE	
C[C@H]1CCC[C@H](c2nc(C3CC3)c(CNC3CC3)s2)C1	159576468	IEBDHZOMQGAAGV-AAEUAGOBSA-N	290.476	4.566	70	10	CJIE	
CC(C)CC1([C@H](O)c2ccc(OC3CC3)cc2)CCCC1	159924306	AJTMEDDVSQAXIC-GOSISDBHSA-N	288.431	4.868	70	10	CJIE	
CCSCC[C@H](C)N[C@H]1CCC(C)(C)c2ccccc21	159980913	CTEDAJWERSOAPQ-YOEHRIQHSA-N	291.504	4.920	70	10	CJIE	
Cc1cc(F)ccc1Oc1nc(C2CC2)nc(Cl)c1C	160569750	ZWKVQKYDVQWJTF-UHFFFAOYSA-N	292.741	4.556	70	10	CJIE	
CCCN[C@H](CC1CCCCC1)c1ccc(F)c(OC)c1	160980497	UTSMEQSXZVJCLA-QGZVFWFLSA-N	293.426	4.845	70	10	CJIE	
CCCc1nc(Cl)c(C)c(N[C@@H]2CC[C@H](C)[C@@H](C)C2)n1	217560871	FCKYOOGXWSBYKT-GMXVVIOVSA-N	295.858	4.628	70	10	CJIE	
CC[C@@H]1CC[C@@H](NC)[C@@H](Cc2cccc(C(F)(F)F)c2)C1	217655021	UPNLIFWJBXOTAT-XNRPHZJLSA-N	299.380	4.662	70	10	CJIE	
CCN[C@H]1CC[C@H](CC)C[C@@H]1CCCc1ccccc1	217666998	NZCRBINOVJBQFU-WDSOQIARSA-N	273.464	4.814	70	10	CJIE	
CCCOc1ccc(Cl)cc1N[C@@H]1C[C@@H]2CC=C[C@H]21	218102670	WFOQGIAEKISFMN-IACUBPJLSA-N	277.795	4.505	70	10	CJIE	
CCC[C@@H]1CC[C@H](O)[C@@H](CCCc2ccccc2)C1	218295843	LXHSCNMYWMXIER-SQNIBIBYSA-N	260.421	4.587	70	10	CJIE	
CCCC(CCC)[C@@H](O)c1cc2cc(F)ccc2o1	159412036	MTTZTQJCTDVFAN-MRXNPFEDSA-N	264.340	4.822	70	10	CJIE	
CCSCC[C@H](C)N[C@@H](CC)c1ccc(CC)cc1	160065087	MJOFAZNLUKFXTP-YOEHRIQHSA-N	279.493	4.821	70	10	CJIE	
Cc1ccc([C@H](N)c2c(C)ccc3ccccc23)cc1C	160845110	VIDWBXOBSSRIMU-FQEVSTJZSA-N	275.395	4.813	70	10	CJIE	
CNCc1oc2c(cc(Cl)c3ccccc32)c1C1CC1	161435972	MOCBSBCVSBPKJO-UHFFFAOYSA-N	285.774	4.836	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc([C@H](O)C3CCC3)ccc21	161497590	KXBQEQHBAKHIFT-QGZVFWFLSA-N	272.432	4.869	70	10	CJIE	
CN[C@@H]1CC[C@@H](C)C[C@@H]1Cc1ccc(C(C)(C)C)cc1	217632506	OBDCRIXDKROQSY-QGPMSJSTSA-N	273.464	4.551	70	10	CJIE	
CCN[C@H]1CC[C@H](CC)C[C@@H]1CCCOc1ccccc1	217662794	WSLGMFVMAUUWBI-LNLFQRSKSA-N	289.463	4.650	70	10	CJIE	
CC[C@H](N)[C@@H](O[C@@H]1CCCC[C@@H]1CC)c1ccccc1F	218246184	FRQYLTZOGKKIAR-RUGDWHBFSA-N	293.426	4.590	70	10	CJIE	
CC[C@@H]1CC[C@H](O)[C@@H](Cc2ccc(C(C)C)cc2)C1	218284786	VKVXZTXENCKSMU-OLMNPRSZSA-N	260.421	4.540	70	10	CJIE	
O=C(NC=C1CCCCC1)Nc1c(Cl)cccc1Cl	218694982	DNSJOGQXTNAPRI-UHFFFAOYSA-N	299.201	4.963	70	10	CJIE	
CCC[C@H](C)COc1ccc2ccccc2c1[B-](F)(F)F	379440708	FMXMNEOLRBZFMY-LBPRGKRZSA-N	295.133	4.709	70	10	CJIE	
CC(C)=C(COC[C@@H]1C[C@@H]1c1ccccc1)[B-](F)(F)F	2340165221	ZDTNTOCWPIPZEP-UONOGXRCSA-N	283.122	4.530	70	10	CJIE	
FC(F)(F)C1CCC2(CCNC[C@H]2C2CCCC2)CC1	160120505	RONDIAQYQJXKQG-SLTAFYQDSA-N	289.385	4.525	70	10	CJIE	
CCOC1(C(=O)[C@@H]2CCC[C@@H](CC)C2)CCCCCC1	161361024	FUNCRCGHEXQMHK-HZPDHXFCSA-N	280.452	4.901	70	10	CJIE	
CCCc1c(CNCC)oc2c(C)ccc(C(C)C)c12	161443040	WDQIIIBULVDSRA-UHFFFAOYSA-N	273.420	4.927	70	10	CJIE	
CC(C)Oc1cccc([C@@H](C)N[C@H]2CCC[C@@H](C)C2)c1	217700940	GQJDDUHPSDHCKT-INMHGKMJSA-N	275.436	4.703	70	10	CJIE	
Cc1cc(F)ccc1N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218073570	QLNCSQNWXBLSHI-YLQAJVPDSA-N	261.384	4.761	70	10	CJIE	
C[C@@H]1C[C@@H](N[C@H](C)c2c(F)cccc2F)CC(C)(C)C1	218093755	LHNWZSHWULQCAQ-JHJVBQTASA-N	281.390	4.830	70	10	CJIE	
CC[C@@H]1CC[C@@H](CN)[C@@H](c2cccc(C(F)(F)F)c2)C1	218678858	JUWIQRHTJFEYLW-OSAQELSMSA-N	285.353	4.574	70	10	CJIE	
C=C(CCOc1cc(C)c(Cl)c(C)c1)[B-](F)(F)F	1999701537	BUJVBDPMMWISMB-UHFFFAOYSA-N	277.502	4.669	70	10	CJIE	
CC(C)=C(CN(C)[C@@H]1CCCCC[C@H]1C)[B-](F)(F)F	2317862718	CKLPNTJYHXDKRH-TZMCWYRMSA-N	276.175	4.610	70	10	CJIE	
Cc1cc(Cl)cc([C@@H](O)c2cc3cccc(F)c3o2)c1	159503246	SYKBDFGKPSSHRS-OAHLLOKOSA-N	290.721	4.615	70	10	CJIE	
CCCCC[C@H](NCCC)c1c(F)ccc(C)c1F	159636856	WNTRCKHWGWPTRY-AWEZNQCLSA-N	269.379	4.894	70	10	CJIE	
CC(C)Cc1nc(C2CCCC2)sc1CNC(C)(C)C	159981720	VSOSIXWTDZTTHC-UHFFFAOYSA-N	294.508	4.887	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1cc(C)ccc1F	161316387	TYQUSHPEEHSTFE-QGZVFWFLSA-N	261.384	4.675	70	10	CJIE	
Cc1cc(OC[B-](F)(F)F)c(C(C)C)cc1Cl	203431649	WEYDGDVJGJXZHG-UHFFFAOYSA-N	265.491	4.537	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)C)C[C@@H]1Cc1ccc(F)cc1Cl	217793855	IEYWFRVBRQUEIR-SUYBPPKGSA-N	297.845	4.682	70	10	CJIE	
CCN[C@H](c1cc(F)ccc1C)[C@H]1CCC[C@@H](C)C1	217980216	RVQVFCRWVWKWPL-IFIJOSMWSA-N	263.400	4.611	70	10	CJIE	
CC1(C)[C@@H]2CC[C@]1(C)[C@H](N[C@H](c1ccccc1)C1CC1)C2	218144440	PMEGFAZXRSUUHA-SOAMZJECSA-N	283.459	4.942	70	10	CJIE	
CNC[C@@H]1CC[C@H](C(C)C)C[C@@H]1c1cc(F)ccc1Cl	218524848	KSIRUNSRSAYIHV-YDHLFZDLSA-N	297.845	4.854	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](CN)[C@@H](c2ccccc2C(F)(F)F)C1	218783306	JAPVZHLZOODDAZ-IPYPFGDCSA-N	299.380	4.820	70	10	CJIE	
CC(C)=C(CO[C@@H]1CCC[C@@H](C)[C@H]1C)[B-](F)(F)F	2301867851	VYLHSNPGCNIZLU-NQBHXWOUSA-N	263.132	4.551	70	10	CJIE	
CN(C)c1cccc(NCc2ccc(C(C)(C)C)cc2)c1	161099589	YMQKAXHJNIFSOK-UHFFFAOYSA-N	282.431	4.662	70	10	CJIE	
CCc1ccc(C[C@H](NC)c2c(C)cc(C)cc2C)s1	161120858	XVFWGGVLVRQQBO-KRWDZBQOSA-N	287.472	4.739	70	10	CJIE	
CCNCc1oc2c(Cl)cc(F)cc2c1CC(C)C	161437554	HDTJWSNKGAVGJV-UHFFFAOYSA-N	283.774	4.533	70	10	CJIE	
Cc1cc(C)cc([C@]2(O)C[C@@H](C)CC[C@H]2C(C)C)c1	217866203	BRMTZCCTPAKZEH-DOPJRALCSA-N	260.421	4.583	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCCCNc1ccccc1	217887151	NVKINLNAXILJNA-NEWSRXKRSA-N	289.463	4.966	70	10	CJIE	
CCC(C)(C)[C@H]1CC[C@@H](O)[C@H](O[C@@H]2CCC[C@@H](C)C2)C1	218560257	FGZKAGNMCRPWIY-ZHCJQAHYSA-N	282.468	4.548	70	10	CJIE	
CCCN[C@H]1CC[C@H](CCC)C[C@@H]1N(CC)C1CCCC1	218637072	YUKWCRNJCCYZHM-WDSOQIARSA-N	294.527	4.588	70	10	CJIE	
CC(C)(C)C1(CN2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)CCC1	1879766036	BSZIHSHGETYLCR-DOMZBBRYSA-N	288.186	4.516	70	10	CJIE	
CCC1([C@@H](O)c2cc3cccc(F)c3o2)CCCC1	159484698	NZLLHYNRJUPCEG-HNNXBMFYSA-N	262.324	4.576	70	10	CJIE	
CC(C)NC[C@@H](CCSc1ccccc1)C1CCCC1	159970609	IVIFNXMHPBCGOL-QGZVFWFLSA-N	291.504	4.973	70	10	CJIE	
C[C@@H](N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccco1	160219028	NLGFTFNCXTVGHT-GDBMZVCRSA-N	297.398	4.767	70	10	CJIE	
CCc1ccc([C@@H](C)N[C@@H]2CCc3ccc(C)cc32)cc1	160779670	AFJGHYPISALTFF-FOIQADDNSA-N	279.427	4.896	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](O)C1(C)CCCC1	161001950	JICRUNBKHHTNCW-KRWDZBQOSA-N	254.373	4.762	70	10	CJIE	
CC(C)Cc1cccc([C@@H](N)CC2=CCCCC2)c1	161192533	YCBQNDNYQMVGTM-SFHVURJKSA-N	257.421	4.775	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[C@@H](C)c1cccc(N)c1	217351228	ONKGFUDFYDGNDF-BODMPHMZSA-N	275.436	4.807	70	10	CJIE	
CCC[C@@H]1CC[C@H](N)[C@@H](CCCc2ccccc2)C1	217686952	OZTZMIWGOKMECJ-SQNIBIBYSA-N	259.437	4.553	70	10	CJIE	
C[C@@H](N)c1ccc(SC/C=C\c2ccccc2)cc1	217702057	XNRZAAKEZQJMTM-BMWLXYDHSA-N	269.413	4.512	70	10	CJIE	
C[C@@H]1C[C@@H](N[C@H](C)Cc2ccc(F)cc2)CC(C)(C)C1	218204360	IYYQUZKAKWYVIH-CKEIUWERSA-N	277.427	4.561	70	10	CJIE	
CC(C)/C=C/NC(=O)N(Cc1ccccc1)c1ccccc1	218521663	LLSHNCUPGGBPSS-BUHFOSPRSA-N	294.398	4.573	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](c2cccc(OC(C)C)c2)C1	218757291	UAYUVIALOKITGU-SZVBFZGTSA-N	289.463	4.733	70	10	CJIE	
CCCC[C@@H](CC)OCC(=C(C)C)[B-](F)(F)F	1901633875	XFRSVRYHWZHKBG-LLVKDONJSA-N	251.121	4.695	70	10	CJIE	
N[C@H](Cc1ccc(Cl)s1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	160938182	SBTMVGXQKQKVQS-KYEXWDHISA-N	297.895	4.878	70	10	CJIE	
O=C(Cc1ccsc1)c1cc2ccc(F)cc2s1	160965620	KKAGDXDXNXNNQI-UHFFFAOYSA-N	276.357	4.527	70	10	CJIE	
O[C@@H](CC1=CCCCC1)c1ccccc1C(F)(F)F	161088137	PEURLSXNZQNEHT-AWEZNQCLSA-N	270.294	4.629	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC1[C@@H](C)CCC[C@@H]1C	217866907	COTNLVDHJLHXHZ-HMDCTGQHSA-N	265.485	4.862	70	10	CJIE	
CCCCC[C@@H](C)NCCO[C@H]1C[C@@H](C)CC(C)(C)C1	217912734	QQMCFUAQVRYRMS-ZACQAIPSSA-N	283.500	4.776	70	10	CJIE	
CCCN[C@H](c1cccc(F)c1)[C@H]1CCC[C@@H](C)C1	218031809	FDRNEUSBWQLGSV-KEYYUXOJSA-N	263.400	4.693	70	10	CJIE	
CC(C)c1ccc([C@@H](C)NN2[C@@H](C)CCC[C@H]2C)cc1	218434038	NOBXLXOMVODTMK-OWCLPIDISA-N	274.452	4.639	70	10	CJIE	
CCCCCN(C(C)C)[C@@H](C)[C@@H](N)c1ccc(CC)cc1	218689225	OCANHRZZPLURPN-QFBILLFUSA-N	290.495	4.538	70	10	CJIE	
O=C(NC=C1CCCC1)Nc1ccc(Cl)c(Cl)c1	218754208	QXJRDUOXRXTCAJ-UHFFFAOYSA-N	285.174	4.573	70	10	CJIE	
C=C(CCN(Cc1ccccc1)[C@@H](C)C1CC1)[B-](F)(F)F	1954696398	FUWADZUDVVECCZ-AWEZNQCLSA-N	296.165	4.620	70	10	CJIE	
CC(C)=C(COC1CCCCCCC1)[B-](F)(F)F	2301863435	CYYDHNYTXSLNQS-UHFFFAOYSA-N	263.132	4.839	70	10	CJIE	
CC[C@H]1CC[C@H](CN2CC[C@@](C)([B-](F)(F)F)C2)CC1	2319749429	NDTONPODHYBQEB-MGPQQGTHSA-N	276.175	4.516	70	10	CJIE	
CC1(C)C([C@H](O)c2cc3cccc(Cl)c3o2)C1(C)C	159657320	HHZCWJLNARKTSL-GFCCVEGCSA-N	278.779	4.802	70	10	CJIE	
Cc1cc(C)c(NCC(C)(C)C)c(Br)c1	159724840	QDUMZZZKWMKFNC-UHFFFAOYSA-N	270.214	4.524	70	10	CJIE	
Cc1cc([C@H](O)c2cccc(CC(C)C)c2)ccc1Cl	159861597	NRXSOQCFQUKEOP-GOSISDBHSA-N	288.818	4.929	70	10	CJIE	
CCCOc1ccc([C@@H](C)N[C@H](C)CCSCC)cc1	160052405	ZVGLFDSNOXICIO-HUUCEWRRSA-N	295.492	4.658	70	10	CJIE	
O[C@H](Cc1c(F)cccc1F)c1cccc(C2CCC2)c1	160183630	TVZFAPXLUOFROJ-GOSISDBHSA-N	288.337	4.508	70	10	CJIE	
CCC[C@@H](CC)NCc1ccc(Cl)c2cccnc12	160321761	RJAYRKYTSZRINZ-CYBMUJFWSA-N	276.811	4.557	70	10	CJIE	
CCCc1ccc(C(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1	161177137	GLNRKFSOPQNWOE-HNAYVOBHSA-N	288.431	4.807	70	10	CJIE	
Cc1ccccc1C[C@H](O)c1cc2ccc(F)cc2s1	161262861	TWSSZJMEOXRUSL-HNNXBMFYSA-N	286.371	4.625	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1cccc(F)c1F	161354893	SIBXJLHNWYHEQY-OAHLLOKOSA-N	265.347	4.506	70	10	CJIE	
Cc1c(Cl)nc(C(C)C)nc1O[C@@H]1CC[C@H](C)[C@@H](C)C1	217542068	MIUYQIBRVYLDHV-GMXVVIOVSA-N	296.842	4.765	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@H](N)[C@@H](CCCOc2ccccc2)C1	217740884	HFWKYENPOKEHEG-BQFCYCMXSA-N	289.463	4.635	70	10	CJIE	
CN[C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1CCOc1ccccc1	217754084	YXWORTRNRPDVGV-JZXOWHBKSA-N	289.463	4.506	70	10	CJIE	
C[C@@H](N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)c1ccsc1	218145085	ZGBDPIBQQNSKSW-AOLWHUPESA-N	263.450	4.614	70	10	CJIE	
C[C@H]1CCCC[C@H]1CN[C@H](C)c1ccc(OC(F)F)cc1	218156302	XBGDIJFYTBEOKR-GUTXKFCHSA-N	297.389	4.765	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@H](O)[C@@H](Cc2ccc(Cl)s2)C1	218305432	IHQQGRDCCIJRSJ-MDZLAQPJSA-N	286.868	4.767	70	10	CJIE	
CCCN[C@H]1CC[C@@H](CCC)C[C@@H]1N(C)[C@@H](C)C(C)(C)C	218704618	QJEMLAXSBAGGSG-MHORFTMASA-N	296.543	4.690	70	10	CJIE	
CC(C)=C(CSc1ccccc1C)[B-](F)(F)F	1901649517	LBAMYFGGVVUEDK-UHFFFAOYSA-N	259.125	4.810	70	10	CJIE	
CC(C)c1ccc(CN2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)cc1	2194161138	VJDBZHOSFUIHMB-CVEARBPZSA-N	296.165	4.623	70	10	CJIE	
Cc1cc(F)ccc1C[C@@H](O)C1(CC(C)C)CCCC1	159891808	JKWMALWNVVMSDT-QGZVFWFLSA-N	278.411	4.644	70	10	CJIE	
CCCCC[C@@H](NCC)[C@@H](OCC)C1CCCCC1	159917055	KLGBNJFFPUNXMY-SJORKVTESA-N	269.473	4.530	70	10	CJIE	
CCCCC[C@H](Cc1ccc(C(C)(C)C)cc1)NC	161289141	DSPDWCYPNMWZCJ-QGZVFWFLSA-N	261.453	4.695	70	10	CJIE	
CCc1cccc2c(C3CC3)c(CNCC(C)C)oc12	161420714	NPXOHKFNOUJJLK-UHFFFAOYSA-N	271.404	4.618	70	10	CJIE	
CCC[C@H]1CC[C@@H](NCC)[C@@H](Cc2ccc(C)cc2)C1	217728135	YLTUVBKNFWCGMJ-QXAKKESOSA-N	273.464	4.732	70	10	CJIE	
CN[C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1Cc1ccccc1Cl	217760328	PLBWGOPPNKDECX-UXLLHSPISA-N	293.882	4.933	70	10	CJIE	
Cc1ccc(Cl)cc1NC(=O)N/C=C/C1CCCCC1	218631883	KSNOJWFMBMFDFD-MDZDMXLPSA-N	292.810	4.864	70	10	CJIE	
CCCNC[C@@H](O[C@@H]1CCC[C@@H](C)C1)c1ccccc1C	218759580	GFPKDODPFOBPRX-SZVBFZGTSA-N	289.463	4.631	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCCN(Cc2cccc3ccccc23)C1	2190458463	JGQMSTLTZIWXGO-OAHLLOKOSA-N	292.133	4.653	70	10	CJIE	
CC(C)C(CCN1CCC([B-](F)(F)F)CC1)C(C)C	2223263227	BODNGYVWLWWPEO-UHFFFAOYSA-N	278.191	4.618	70	10	CJIE	
CC(C)=C(COC[C@@H]1CCC[C@H](C)C1)[B-](F)(F)F	2301965694	WEDVIZZIYIOFNK-NWDGAFQWSA-N	263.132	4.552	70	10	CJIE	
c1ccc(CCC[C@H](CNC2CC2)C2CCCC2)cc1	159984391	DLZXUBKSTYHFBV-GOSISDBHSA-N	271.448	4.568	70	10	CJIE	
CCCCOCCCN[C@H]1CCC[C@@H](CCC)CC1	160251143	NUKLOVCDSNTHRE-SJORKVTESA-N	269.473	4.532	70	10	CJIE	
Cc1ccc(CC(=O)c2c(C)ccc3ccccc23)cc1	160814469	YZWGKWYAFGCCCQ-UHFFFAOYSA-N	274.363	4.882	70	10	CJIE	
Cc1ccc2ccccc2c1-c1ccc2c(c1)CCN2	160959027	WJPUYGVDDGSDRT-UHFFFAOYSA-N	259.352	4.783	70	10	CJIE	
CO[C@]1(C(=O)c2ccc(C(C)(C)C)cc2)CCC[C@@H](C)C1	161069080	PNHBBNKJDGSWFP-AUUYWEPGSA-N	288.431	4.762	70	10	CJIE	
CCOC1(C(=O)[C@@H]2CCC[C@H](C)C2)CCC(C)(C)CC1	161253187	UHMDMXABGAZHHC-LSDHHAIUSA-N	280.452	4.757	70	10	CJIE	
C[C@H]1CCC[C@@H](C)C1N[C@H](C)c1cccc(OC(F)F)c1	218018581	GCCSTWHPJIXPDX-RYFSFTGQSA-N	297.389	4.763	70	10	CJIE	
CC[C@H](N[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)C1CCCCC1	218188780	ZCMRJYNSISFNNP-YCOHNSLCSA-N	275.480	4.760	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](O)[C@@H](C/C=C\c2ccccc2)C1	218322048	ULYRTCMRPPTVQH-IWBBYWFKSA-N	258.405	4.523	70	10	CJIE	
CC(C)NC[C@@H]1CC[C@@H](C)C[C@@H]1Cc1cc(F)cc(F)c1	218725428	WUDDGRFOQSKWGG-VNQPRFMTSA-N	295.417	4.558	70	10	CJIE	
CCNC[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1c1ccccc1	159460332	GIKFOSCIBNRXCC-CEXWTWQISA-N	299.845	4.837	70	10	CJIE	
Cc1ccc2c(c1)[C@H](Nc1ccc3c(c1)CCC3)CC2	160757946	HODAWBMHYJSVEY-LJQANCHMSA-N	263.384	4.583	70	10	CJIE	
CN[C@@H](c1c(C)ccc2ccccc12)[C@@H]1C[C@@H]2CC[C@@H]1C2	160891720	FUYQCEZZLFTZOI-QSFMABPGSA-N	279.427	4.845	70	10	CJIE	
CCCC[C@](CC)(CNC1CC1)C[C@H]1CCC(C)(C)O1	160906448	OVTSTOKXWSKPON-AEFFLSMTSA-N	281.484	4.673	70	10	CJIE	
CC[C@H](NCc1coc2ccccc12)c1ccc(C)cc1	161078471	PSGSWDZFEVEQPE-SFHVURJKSA-N	279.383	4.982	70	10	CJIE	
CCCOc1ccc([C@@H](CC2=CCCCC2)NC)cc1	161278832	KDILYZYMNLXVIZ-GOSISDBHSA-N	273.420	4.626	70	10	CJIE	
CCCN[C@@H]1CC[C@H](CCC)C[C@@H]1Cc1ccccc1F	217735208	OPGGJZHAXMFEDK-KVSKMBFKSA-N	291.454	4.953	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@H](N)[C@@H](CCCc2ccccc2)C1	217744543	IBZILFVJCDEMCH-KSZLIROESA-N	273.464	4.799	70	10	CJIE	
CCCCN([C@H](C)CC)[C@H](c1cccc(F)c1)[C@@H](N)CC	217829408	DTZIWRIUNMTEAD-FHLIZLRMSA-N	294.458	4.505	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCCNc1ccccc1F	217893306	WHWOZUXEMZXPHY-VKJFTORMSA-N	293.426	4.715	70	10	CJIE	
CCN[C@@H](CCCc1ccccc1)[C@H]1CCC[C@@H](C)C1	217992988	PIRZHQSWMHWAIK-NEWSRXKRSA-N	273.464	4.814	70	10	CJIE	
CC[C@H](N)[C@@H](O[C@@H]1CCCC[C@@H]1CC)c1ccc(F)cc1	218243891	XULWIOTUHZHMOX-RUGDWHBFSA-N	293.426	4.590	70	10	CJIE	
C=C(CCOc1cccc(C(C)C)c1)[B-](F)(F)F	1999701780	FNYURQBMSGCTAJ-UHFFFAOYSA-N	257.084	4.522	70	10	CJIE	
Cc1cc(C)c(C[C@@H](CNC2CC2)C2CCCC2)c(C)c1	159979911	AZPUXAUFOYRWCF-SFHVURJKSA-N	285.475	4.713	70	10	CJIE	
CCSCC[C@H](C)N[C@H](C)c1cc(C)c(C)cc1C	160050618	MLGMOCGNXDWDFS-JKSUJKDBSA-N	279.493	4.794	70	10	CJIE	
CCCc1cccc(C(=O)C2(OCC)CCCCCC2)c1	161343715	FWOPRXPRFVCVFI-UHFFFAOYSA-N	288.431	4.951	70	10	CJIE	
CCCN[C@H](Cc1ccc(F)cc1F)[C@H]1CCC[C@@H](C)C1	218033854	NHUBCXXNUCKDGL-QIIPPGSGSA-N	295.417	4.702	70	10	CJIE	
c1ccc(-c2ccccc2N[C@H]2C[C@@H]3CC[C@H]2C3)cc1	218056881	PMHQKEKAOVRMEP-ALKREAHSSA-N	263.384	4.954	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1ccc(CN(C)C)cc1	218154441	FLXBHQRFHQPWOW-SNRMKQJTSA-N	288.479	4.621	70	10	CJIE	
CCC[C@@H]1CC[C@@H](O)[C@@H](C/C=C/c2ccccc2)C1	218298650	CHCYSCOGZNORCL-XEGZUCJKSA-N	258.405	4.667	70	10	CJIE	
CC(C)[C@H]1CC[C@H](CN)[C@@H](Cc2c(F)cccc2Cl)C1	218781630	SUAMOTYMRAUHMP-BFHYXJOUSA-N	297.845	4.669	70	10	CJIE	
Cc1cc(OCCCCCC2CC2)c(C)c([B-](F)(F)F)c1	2145293319	NIPRPMMXTNGMIF-UHFFFAOYSA-N	299.165	4.707	70	10	CJIE	
CCC(CC)C[C@H](O)c1ccc(Cl)c2cccnc12	160425737	BOYAPXAKXXHQPZ-HNNXBMFYSA-N	277.795	4.748	70	10	CJIE	
C[C@@H]1Nc2cccc(Cl)c2O[C@@H]1c1cccc(Cl)c1	160536721	HWWLULQDESXZDM-XPTSAGLGSA-N	294.181	4.928	70	10	CJIE	
CCN[C@@H]1CC[C@H](CC)C[C@@H]1Cc1cc(C)cc(C)c1	217662367	PVGPPTWHVNAAON-QXAKKESOSA-N	273.464	4.650	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@@H](N)[C@@H](CCCc2ccccc2)C1	217744392	IBZILFVJCDEMCH-RCCFBDPRSA-N	273.464	4.799	70	10	CJIE	
CN[C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1Cc1cccc(F)c1F	217752036	CMJAGXAGVHDYPD-LZWOXQAQSA-N	295.417	4.558	70	10	CJIE	
C[C@H]1CCCC[C@H]1CN[C@H]1C[C@H](C)CC(C)(C)C1	218165602	LWGIYWHRDGGNAB-VGWMRTNUSA-N	251.458	4.617	70	10	CJIE	
F[B-](F)(F)/C=C/c1ccc(-c2ccsc2)cc1	393624877	IPHMENBLCYTNCZ-FNORWQNLSA-N	253.077	4.815	70	10	CJIE	
COc1ccc([C@H]2C[C@@H]2[B-](F)(F)F)c2ccccc12	2059004518	XWAPGNAYEKZDIM-OLZOCXBDSA-N	265.063	4.553	70	10	CJIE	
C[C@H](N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccco1	160219152	NLGFTFNCXTVGHT-HOCLYGCPSA-N	297.398	4.767	70	10	CJIE	
CCN[C@@H](C)c1c(F)cccc1Oc1ccc(F)cc1C	160586787	FNJYPTWYUIOKBH-LBPRGKRZSA-N	291.341	4.736	70	10	CJIE	
Cc1cccc([C@@H](C)NCc2cc(Cl)ccc2F)c1	160866989	HQWKNCKBNIJVIF-GFCCVEGCSA-N	277.770	4.638	70	10	CJIE	
CN[C@H](c1sccc1C)c1c(C)ccc2ccccc12	160897352	MFKKQBBZVXFANG-KRWDZBQOSA-N	281.424	4.827	70	10	CJIE	
CCCC[C@@](CC)(CNCC)C[C@@H]1CCC(C)(C)O1	160904840	CKVIUVRGWVZCJU-DOTOQJQBSA-N	269.473	4.530	70	10	CJIE	
N[C@H](CC1CCCCC1)c1cc2c(s1)CCCCC2	161080566	JVMPFLWBTRAGTE-OAHLLOKOSA-N	277.477	4.987	70	10	CJIE	
CN[C@@H](Cc1ccccc1)c1cc2ccc(F)cc2s1	161176315	ISGGHRFINHPSGH-HNNXBMFYSA-N	285.387	4.544	70	10	CJIE	
CCOC1(C(=O)Cc2ccc(CC)s2)CCCCCC1	161349363	WUVQCTYDITXVOZ-UHFFFAOYSA-N	294.460	4.552	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@@H](N)[C@@H](Cc2c(F)cccc2Cl)C1	217743215	BZWHLMPTDMSMMS-XHBSWPGZSA-N	297.845	4.811	70	10	CJIE	
F[B-](F)(F)C=Cc1cc(Cl)cc(Br)c1	1912969764	RLVDXNNLYKPEHE-UHFFFAOYSA-N	284.291	4.502	70	10	CJIE	
CC[C@@]1(C)CCCN(CC(=C(C)C)[B-](F)(F)F)CC1	2317993440	YZICBSLXSGCIRM-AWEZNQCLSA-N	276.175	4.612	70	10	CJIE	
Cc1cc(F)ccc1C[C@@H](O)c1cc(Cl)ccc1Cl	159869094	BMAHCPIZKYDRRE-OAHLLOKOSA-N	299.172	4.717	70	10	CJIE	
Cc1ccc(F)c([C@H](O)c2ccccc2C2CCC2)c1F	160029703	LVEUWCCRHSVLEO-GOSISDBHSA-N	288.337	4.622	70	10	CJIE	
CCO[C@H](c1nc(C)c(CC)c(Cl)n1)C1CCCCC1	160390125	YBUWWJBIRDVMBF-AWEZNQCLSA-N	296.842	4.659	70	10	CJIE	
CCCN[C@H](c1ccccc1)[C@@H](C)C[C@@H]1CCC(C)(C)O1	160600711	VPGCAFWSMSESHU-SZMVWBNQSA-N	289.463	4.711	70	10	CJIE	
CCOC1(C(=O)[C@H]2CCCC[C@@H]2CC)CCC(C)CC1	160974365	MUIDFRYVTSDKFL-LPMVOBIJSA-N	280.452	4.757	70	10	CJIE	
CCc1ccc(C[C@@H](NC)c2ccc(SC)cc2)s1	161214279	SXKHJKMXFVKTAY-MRXNPFEDSA-N	291.485	4.536	70	10	CJIE	
Cc1cc(N)cc(C)c1Sc1ccc(Cl)cc1	217687028	PYGSBAQQUKZBIV-UHFFFAOYSA-N	263.793	4.690	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1ccc(N(C)C)cc1	217903320	CADBIXBEDYAEIH-WBAXXEDZSA-N	274.452	4.625	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1NC[C@@H]1CCCC[C@@H]1C	218165059	DRBKCAXIZZPXIP-TXTZMMAHSA-N	265.485	4.863	70	10	CJIE	
CC(C)NCC1(O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)CCCC1	218749417	KOVKWVIXKRLGMK-KURKYZTESA-N	295.511	4.775	70	10	CJIE	
C[C@@H]1C[C@@H]1CCCCCN1CCC[C@@H]([B-](F)(F)F)C1	2257294093	STDYNOKCBRWRLC-HZSPNIEDSA-N	276.175	4.516	70	10	CJIE	
F[B-](F)(F)[C@H]1CCN(C[C@@H]2C[C@H]2C2CCCCCC2)C1	2342521925	BOQAQHSSCRLYRH-KKUMJFAQSA-N	288.186	4.516	70	10	CJIE	
CCCOc1cccc(N[C@H]2CCc3ccc(C)cc32)c1	160785395	JOGNAUTZUGHAPO-IBGZPJMESA-N	281.399	4.883	70	10	CJIE	
Cc1ccc(C)c([C@H](C)NCc2cc(F)cc(Cl)c2)c1	160873911	BZUPARNAEQIUDO-ZDUSSCGKSA-N	291.797	4.947	70	10	CJIE	
Cc1ccc(C)c([C@@H](N)c2cc3ccc(F)cc3s2)c1	161133071	WDKYPSPEDPVDMT-QGZVFWFLSA-N	285.387	4.705	70	10	CJIE	
CCCCCCCCCOc1ccccc1[B-](F)(F)F	203319902	NSEWLBHXXGARNE-UHFFFAOYSA-N	287.154	4.870	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1N[C@@H](C)c1cccc(O)c1	217885211	IRIVLYCDTSYVHX-BODMPHMZSA-N	275.436	4.504	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCCCNC1CCCCC1	217886996	YUAJSQYRYDNLJE-WDSOQIARSA-N	295.511	4.776	70	10	CJIE	
CCN[C@H](c1ccc(C)cc1C)[C@@H]1CCC[C@@H](C)C1	217976550	QJFJEALLJBTPQW-QBIMZIAESA-N	259.437	4.780	70	10	CJIE	
CCCC[C@H](CC)CO[C@@H]1C[C@@H](CCC)CC[C@@H]1O	218556523	MKQMGFNUZNBFRH-LUKYLMHMSA-N	270.457	4.549	70	10	CJIE	
CCNC[C@@H](O[C@H]1CCCC[C@@H]1CC)c1ccccc1C	218746266	ZIZPTCAPUNSFAY-YTQUADARSA-N	289.463	4.631	70	10	CJIE	
F[B-](F)(F)/C=C/c1ccc(SC(F)(F)F)cc1	309602196	CFLDULUOWTXHBF-AATRIKPKSA-N	271.014	4.698	70	10	CJIE	
F[B-](F)(F)/C=C/c1ccc(Cl)cc1C(F)(F)F	309613967	PPTGOHDVYRVLNR-ONEGZZNKSA-N	273.392	4.759	70	10	CJIE	
Fc1cccc(Cl)c1C12CC([B-](F)(F)F)(C1)C2	1887484512	UZQYELZNQZWXLO-UHFFFAOYSA-N	263.450	4.502	70	10	CJIE	
C=C(CCN1CCCC(CC)(CC)CC1)[B-](F)(F)F	2051603625	APEPIFRGLRTGQW-UHFFFAOYSA-N	276.175	4.612	70	10	CJIE	
CCCCOCCCN[C@H](C)c1oc2ccccc2c1C	160232668	CLSKVLLUIUYWBV-OAHLLOKOSA-N	289.419	4.599	70	10	CJIE	
CCN[C@@H](Cc1ccc(CC)s1)c1cc(C)c(C)s1	161133709	VUOAIKWKMHWIAU-HNNXBMFYSA-N	293.501	4.882	70	10	CJIE	
FC(F)(F)c1cc(Cl)ccc1N[C@@H]1C[C@@H]2CC=C[C@H]21	217828274	HNIZDSNPVGPWKT-IYYTYJHQSA-N	287.712	4.735	70	10	CJIE	
CCCN[C@@H](c1ccc([C@@H](C)CC)cc1)[C@H]1CCCCO1	217853802	FLKGRGJUNFSDHV-IPELMVKDSA-N	289.463	4.810	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCN(CCCCCCCC2CC2)C1	2319728207	WERMRUPXYBRHPL-CQSZACIVSA-N	276.175	4.660	70	10	CJIE	
Cc1cc(C)cc(C[C@H](CNCC(C)C)C2CCCC2)c1	160018384	IHTQMTFIAAEJRQ-HXUWFJFHSA-N	287.491	4.898	70	10	CJIE	
Cc1cc([C@@H](O)c2cccc(C3CCC3)c2)sc1C	160173361	BIQHWTULBWCTPY-KRWDZBQOSA-N	272.413	4.714	70	10	CJIE	
CCOC1(C(=O)c2cc(C)c(C)cc2C)CCCCC1	160828584	XXYVNVGHOUJCBD-UHFFFAOYSA-N	274.404	4.534	70	10	CJIE	
O=C(COc1ccc(Cl)cc1)c1cccc2ccccc12	160886005	WDGAORHTVPYVQT-UHFFFAOYSA-N	296.753	4.755	70	10	CJIE	
CCCC1CCC([C@@H](NCC)c2cncc(C)c2)CC1	160985575	HOJIMBHQUMSUQC-LEOMRAHMSA-N	274.452	4.647	70	10	CJIE	
CCCN[C@H](c1ccc(C)cc1C)[C@H]1CCCCS1	161412545	LKWGHYXSZMLYJC-IAGOWNOFSA-N	277.477	4.630	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1O[C@@H](C)c1ccc(N)cc1	217355559	LALZGMYBHGDYOF-ZZCKCESHSA-N	275.436	4.807	70	10	CJIE	
CC(C)C1CCC(N[C@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)CC1	217576299	KLCBOCPAZCAPIZ-PFZZNUJFSA-N	275.480	4.616	70	10	CJIE	
C[C@H]1C[C@H](N[C@H](c2ccccc2)C2CC2)CC(C)(C)C1	217733607	SDYXNZISEVTASG-JCGIZDLHSA-N	271.448	4.942	70	10	CJIE	
CC[C@@H]1CC[C@H](CN)[C@@H](c2cccc(C(F)(F)F)c2)C1	218679014	JUWIQRHTJFEYLW-UXIGCNINSA-N	285.353	4.574	70	10	CJIE	
CC(C)C[C@H](C)Oc1ccc2cc([B-](F)(F)F)ccc2c1	302562720	MVKRGWJZSXHTEG-LBPRGKRZSA-N	295.133	4.708	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@H]1c1c(Cl)cccc1Br	1885274441	LPPGPFBCVJJJEN-PHDIDXHHSA-N	298.318	4.807	70	10	CJIE	
F[B-](F)(F)CCCc1cc(Cl)cc(Cl)c1	1889710729	BVYLBEZUKMMVCE-UHFFFAOYSA-N	255.883	4.773	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCCN(Cc2cc3ccccc3s2)C1	2133912469	IMVKQJUQHOYMOD-GFCCVEGCSA-N	298.162	4.715	70	10	CJIE	
C=C(CCSCC1CC2(CCC2)C1)[B-](F)(F)F	2243629506	UTGHBLJAMGIWDG-UHFFFAOYSA-N	263.157	4.633	70	10	CJIE	
CC(C)=C(COCC[C@@H]1CC[C@@H]1C1CC1)[B-](F)(F)F	2319624306	XQKLGQZQTJDRIQ-QWHCGFSZSA-N	275.143	4.552	70	10	CJIE	
CCNC[C@@H](C[C@@H]1Cc2ccccc2S1)C1CCCC1	159936240	NOHKXCKMEIYHIE-SJORKVTESA-N	289.488	4.509	70	10	CJIE	
CCSCC[C@@H](C)NC(c1ccccc1)c1ccccc1	159945408	DXWXOLZYHJINOU-MRXNPFEDSA-N	299.483	4.897	70	10	CJIE	
CC[C@@H](c1ccccc1)[C@H](O)Cc1ccc(Cl)cc1F	160387625	QXXLEIZQAIAQCW-DOTOQJQBSA-N	292.781	4.576	70	10	CJIE	
Fc1cc(F)c(NCc2ccc(Cl)cc2F)c(F)c1	160848713	SGDUBOCHPZWOML-UHFFFAOYSA-N	289.659	4.509	70	10	CJIE	
CC1CCC(NCCSCc2ccc(Cl)cc2)CC1	160969390	NPOFZGDBBLAHGM-UHFFFAOYSA-N	297.895	4.742	70	10	CJIE	
FC(F)(F)[C@H]1CCCC[C@@H]1NCc1coc2ccccc12	161082984	JHRFUDODMXRQQF-KBPBESRZSA-N	297.320	4.644	70	10	CJIE	
Cc1cc([C@H](C)Nc2ccc(C)c(N(C)C)c2)c(C)s1	161206541	FSNXZBYIRLOYAO-ZDUSSCGKSA-N	288.460	4.912	70	10	CJIE	
CC(C)(C)c1cccc2c(C3CC3)c(CNC3CC3)oc12	161385084	LLNGWIYFFUKKRU-UHFFFAOYSA-N	283.415	4.860	70	10	CJIE	
CC[C@@H]1CC[C@@H](NC)[C@@H](Cc2c(C)cc(C)cc2C)C1	217647824	ALTFTXWVXKHNNV-ZHALLVOQSA-N	273.464	4.569	70	10	CJIE	
CCN[C@H](c1ccc(F)c(F)c1F)[C@H]1CCC[C@@H](C)C1	217982449	RKXQJDKJTLZCDO-GDLVEWKHSA-N	285.353	4.581	70	10	CJIE	
Cc1cccc(N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1C	218078625	OIGWIPRGSBTZFR-QGPMSJSTSA-N	257.421	4.930	70	10	CJIE	
Cc1ccc(CN[C@H]2C[C@H](C)CC[C@H]2C(C)C)cc1C	218158889	NDFFBQDSCWCIMC-CCKFTAQKSA-N	273.464	4.854	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1cc(F)c(F)c(F)c1	218196298	KJOWHBVNDCKBIS-NVBFEUDRSA-N	285.353	4.977	70	10	CJIE	
CCN[C@@H]1CC[C@@H](C(C)(C)CC)C[C@@H]1N(C)CC(C)(C)C	218706928	DOJODGWIVHHCLJ-ZACQAIPSSA-N	296.543	4.547	70	10	CJIE	
CNCc1sc(C2CCCCCCC2)nc1CC(C)C	159676841	ZYZZSTODRZTELN-UHFFFAOYSA-N	294.508	4.889	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](N)C[C@H]1C[C@@H]2CC[C@@H]1C2	160874716	PRVRJWKEAMLSQB-KLICCBINSA-N	279.427	4.974	70	10	CJIE	
Cc1cc(C)c(NCc2coc3ccccc23)c(C)c1	161090240	OICKHEGLOPTZLJ-UHFFFAOYSA-N	265.356	4.970	70	10	CJIE	
CCc1ccc(C[C@H](C[C@@H](C)CC(C)(C)C)NC)s1	161210698	MIONUVQVZSEWND-KGLIPLIRSA-N	281.509	4.903	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc(C(=O)C(F)(F)F)ccc21	161474668	XBIJEZQMGRSWER-UHFFFAOYSA-N	284.321	4.781	70	10	CJIE	
CC[C@H](C)c1ccccc1NC(=O)Nc1cccc(F)c1	217310681	KWKPYLFJPNVYLJ-LBPRGKRZSA-N	286.350	4.983	70	10	CJIE	
FC(F)(F)c1ccc(Cl)c(N[C@@H]2C[C@@H]3CC=C[C@H]32)c1	217798497	VQUDUDZKCBQDSA-MKPLZMMCSA-N	287.712	4.735	70	10	CJIE	
CC[C@H]1CCCC[C@H]1O[C@H](c1ccc(Cl)cc1)[C@@H](C)N	218244265	TYEWLOCVXUKODZ-GFOFROLCSA-N	295.854	4.714	70	10	CJIE	
CC(C)=C(CN(C)[C@H](C)[C@@H]1CCC[C@@H](C)C1)[B-](F)(F)F	2340312733	JUAINSFRLWGOMK-MGPQQGTHSA-N	290.202	4.856	70	10	CJIE	
CCCCC[C@H](NCC)c1ccc(OC(F)F)cc1	159625037	YSDVMNVXTSJOTC-AWEZNQCLSA-N	271.351	4.519	70	10	CJIE	
CCSCC[C@@H](C)NC1c2ccccc2-c2ccccc21	160047220	NBJQQXJMZUXTTP-CQSZACIVSA-N	297.467	4.878	70	10	CJIE	
CCCCOCCCN[C@@H]1CCC[C@H](C(C)(C)C)CC1	160251287	BEZZHMBXIOKJOX-DLBZAZTESA-N	283.500	4.778	70	10	CJIE	
Cc1ccc([C@@H]2Oc3cc(Cl)ccc3N[C@H]2C)cc1	160557488	GIBCLBNDASPYDE-MEDUHNTESA-N	273.763	4.583	70	10	CJIE	
CCCN[C@H](CC1CCCCC1)c1cc(OC)cs1	161037283	UDPHRKHWQIEUGO-OAHLLOKOSA-N	281.465	4.768	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NCc1coc2ccccc12	161078085	OPRWGDLPTPJOJP-UWWQBHOKSA-N	285.431	4.983	70	10	CJIE	
Cc1ccc(C)c(N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1	218079459	VWTAQYRUPLJEMS-UWWQBHOKSA-N	257.421	4.930	70	10	CJIE	
CC[C@H](C)c1ccccc1O[C@@H]([C@@H](N)CC)C(C)(C)C	218241490	MFNMRQQBPBOFAC-QRTARXTBSA-N	277.452	4.731	70	10	CJIE	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NCCSc1ccccc1)C2	218616276	BNDGHLONRLOTNY-ZVZYQTTQSA-N	289.488	4.583	70	10	CJIE	
C[Si](Cl)(Cl)C[C@@H](Cl)c1ccccc1	689662489	ORLDPNUYABNBGO-SECBINFHSA-N	253.632	4.516	70	10	CJIE	
CCCC[C@H](CC)COc1cc(C)ccc1[B-](F)(F)F	699766819	HTUBJIDANZHTLK-ZDUSSCGKSA-N	287.154	4.645	70	10	CJIE	
F[B-](F)(F)/C=C/c1sc(Cl)cc1Br	2242100585	PKSUCSTVJJDQCX-OWOJBTEDSA-N	290.320	4.564	70	10	CJIE	
CCCC[C@H](CC)[C@H](O)c1cc2cccc(F)c2o1	159491629	GNBWEQQCFITAOR-NHYWBVRUSA-N	264.340	4.822	70	10	CJIE	
C[C@@H]1Nc2cccc(Cl)c2O[C@H]1c1cccc(Cl)c1	160536486	HWWLULQDESXZDM-LKFCYVNXSA-N	294.181	4.928	70	10	CJIE	
CC[C@H](c1ccccc1)[C@H](Cc1ccc(Cl)s1)NC	160880391	FFMOJRFVCNQSEW-CABCVRRESA-N	293.863	4.726	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)c1ccc(OC)c(F)c1	161401359	HDXHFXHECZMOQV-KRWDZBQOSA-N	291.410	4.766	70	10	CJIE	
CCNCC1(C2=CCCCC2)CC(c2ccccc2)C1	161447863	QQWLPDURDOGBEM-UHFFFAOYSA-N	269.432	4.660	70	10	CJIE	
C[C@H]1C[C@@H]([C@@H](NN)c2cc3sccc3s2)CC[C@H]1C	217319180	KCVAYJJFVWVOEN-DZHLUBAWSA-N	294.489	4.540	70	10	CJIE	
C1=C[C@@H]2[C@H](C1)C[C@H]2Nc1ccc2c(c1)Cc1ccccc1-2	217822212	IJCBDHCQKOOYDE-JSNMRZPZSA-N	273.379	4.634	70	10	CJIE	
CCN[C@@H](c1ccc(F)c(F)c1F)[C@H]1CCC[C@@H](C)C1	217982528	RKXQJDKJTLZCDO-OHUAYANFSA-N	285.353	4.581	70	10	CJIE	
CCN[C@@H]1CC[C@H](C)C[C@@H]1Oc1ccccc1[C@@H](C)CC	218778226	RZXUKBGVNCZOHG-BVYOLEPJSA-N	289.463	4.746	70	10	CJIE	
CC1(C)CCC[C@H](CN2CCC[C@H]([B-](F)(F)F)C2)C1	2082978407	GVWXGVLULOSXIU-STQMWFEESA-N	276.175	4.516	70	10	CJIE	
CCc1ccsc1[C@H](O)c1cc2cc(Cl)ccc2o1	159381853	XQHBYHRKDQFPOE-CQSZACIVSA-N	292.787	4.792	70	10	CJIE	
Cc1ccc(Cl)cc1[C@H](O)c1cc2cc(F)ccc2o1	159420294	DMCQZQOIVKZZIM-INIZCTEOSA-N	290.721	4.615	70	10	CJIE	
Cc1ccc(F)c([C@H](O)c2c(C)ccc3ccccc23)c1	160966739	HFWPDENFFISSPO-IBGZPJMESA-N	280.342	4.677	70	10	CJIE	
c1cc(NCc2coc3ccccc23)c2ccncc2c1	161073423	BXGHBYNRAWCDCD-UHFFFAOYSA-N	274.323	4.593	70	10	CJIE	
CCCN[C@@H](c1ccc(C)cc1C)[C@H]1CCCCS1	161412447	LKWGHYXSZMLYJC-SJORKVTESA-N	277.477	4.630	70	10	CJIE	
CCN[C@@H](CC1CCCCC1)[C@H]1CCC[C@@H](C)C1	217987514	RVBJAZPSAHUOGY-PVAVHDDUSA-N	251.458	4.761	70	10	CJIE	
Cc1nc2ccc(N[C@H]3C[C@@H]4C[C@@H]3[C@@H]3CCC[C@@H]43)cc2s1	218058929	WBHBZWARSGIXCM-JVCZHTPTSA-N	298.455	4.841	70	10	CJIE	
CC[C@H](N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)c1ccco1	218142580	UJIJITSFSGJFEP-GZIXRCOHSA-N	261.409	4.535	70	10	CJIE	
CCC[C@@H]1CC[C@@H](N)[C@@H](c2ccccc2C(F)(F)F)C1	218469705	SPBGMJKSMHOWNT-UXIGCNINSA-N	285.353	4.717	70	10	CJIE	
CCCCCC[C@H](C)O[C@H]1C[C@@H](CCC)CC[C@@H]1O	218551598	YJXKRZZTLMEJDQ-QAETUUGQSA-N	270.457	4.692	70	10	CJIE	
CCCN[C@@H]1CC[C@H](CCC)C[C@@H]1N1CCCC[C@@H]1CC	218620274	VQFDINWJCFWKQR-OKYOBFRVSA-N	294.527	4.588	70	10	CJIE	
CC[C@@H]1CC[C@H](CN)[C@@H](Cc2csc3ccccc23)C1	218694759	JEBGCHNMHRXHTQ-RBSFLKMASA-N	287.472	4.845	70	10	CJIE	
CCC1CCC(CN2CC[C@@](C)([B-](F)(F)F)C2)CC1	2319749428	NDTONPODHYBQEB-JXQTWKCFSA-N	276.175	4.516	70	10	CJIE	
CC(C)=C(CN(C)C[C@@H]1CCC[C@@H]1C(C)C)[B-](F)(F)F	2340152026	JFLVRBSJAZXFDU-UONOGXRCSA-N	290.202	4.714	70	10	CJIE	
Cc1cc([C@@H](O)c2cc3cc(F)ccc3o2)ccc1Cl	159416000	DNGAAKUJDHWRII-MRXNPFEDSA-N	290.721	4.615	70	10	CJIE	
CCSCC[C@@H](C)N[C@@H]1CCCCc2ccccc21	159986454	NEDUGFCGSZGGLW-RHSMWYFYSA-N	277.477	4.575	70	10	CJIE	
CCCCOCCCN[C@H](c1ccc(Cl)cc1)C1CC1	160193005	XTKYZCDEUVCXCL-KRWDZBQOSA-N	295.854	4.588	70	10	CJIE	
CCCNCc1ccc(Oc2ccc(F)cc2C)c(F)c1	160601813	ANPDEDVOUFPEFS-UHFFFAOYSA-N	291.341	4.565	70	10	CJIE	
CCCC(CCC)Nc1c(F)c(F)c(F)c(F)c1F	160625096	QFHIWFGLUUHPAM-UHFFFAOYSA-N	281.268	4.763	70	10	CJIE	
O=C(CC1=CCCCC1)c1cccc(C(F)(F)F)c1	161022378	HSMZHKHRTSVWMR-UHFFFAOYSA-N	268.278	4.779	70	10	CJIE	
Cc1ccc([C@H](N)c2cc3ccc(F)cc3s2)c(C)c1	161132728	JGIGJDIDDYFCON-KRWDZBQOSA-N	285.387	4.705	70	10	CJIE	
CCO[C@]1(C(=O)c2ccc(Cl)cc2F)CCC[C@@H](C)C1	161146242	UDZQBUZBYAZVOG-BDJLRTHQSA-N	298.785	4.647	70	10	CJIE	
CCN[C@@H](c1cc(C)c(C)cc1C)[C@H]1CCCCS1	161337546	XWGKWOOXWUQMMR-SJORKVTESA-N	277.477	4.548	70	10	CJIE	
CCCc1ccc([C@@H](NCC)[C@@H]2CCCCS2)cc1	161361490	DSNZVNWLTWEKED-DLBZAZTESA-N	277.477	4.575	70	10	CJIE	
CCCN[C@@H](Cc1ccc(Cl)cc1)[C@H]1CCCCS1	161417788	RZKUJKQKYSNBNY-JKSUJKDBSA-N	297.895	4.536	70	10	CJIE	
CC[C@@H]1CCc2nc([C@@H]3CC[C@@H]4CCCC[C@@H]4C3)[nH]c2C1	216860346	PJFITDIIJLPXJW-QKPAOTATSA-N	286.463	4.999	70	10	CJIE	
Cc1ccc(C)c(C[C@]2(O)C[C@H](C)CC[C@H]2C(C)C)c1	217864846	FDZIKWWHOWUTIP-AYOQOUSVSA-N	274.448	4.669	70	10	CJIE	
CC(C)CC(CC(C)C)N[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217998683	VELWZRMNBBAFBD-NLNMYJFZSA-N	277.496	4.862	70	10	CJIE	
COc1cc(C)ccc1N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218111246	GJAORLNKNPVAKA-QANKJYHBSA-N	273.420	4.630	70	10	CJIE	
CCCNCc1sc(-c2ccccc2)nc1CC(C)C	159817846	XWEFOCRLDSGWNL-UHFFFAOYSA-N	288.460	4.508	70	10	CJIE	
CCc1ccsc1[C@@H](O)c1cccc(CC(C)C)c1	159860058	FBFZGFDQQMQZKV-INIZCTEOSA-N	274.429	4.591	70	10	CJIE	
Cc1cc(C)c(C[C@H](CNC2CC2)C2CCCC2)c(C)c1	159980043	AZPUXAUFOYRWCF-GOSISDBHSA-N	285.475	4.713	70	10	CJIE	
CCc1ccc([C@H](O)c2c(C)ccc3ccccc23)s1	160976682	YHPSCTIKNJBLOR-SFHVURJKSA-N	282.408	4.854	70	10	CJIE	
CC[C@@H]1CC[C@@H](CNCC(C)C)[C@H](c2cncc(C)c2)C1	161034905	XAUGEJZGLIWJOK-ZIFCJYIRSA-N	288.479	4.546	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)c1ccc2c(c1)CCO2	161444300	UKBQQFWUHGYTRG-SFHVURJKSA-N	285.431	4.553	70	10	CJIE	
CCCNCc1oc2ccc(CCC)cc2c1C1CC1	161453572	ZNUDLPHWCPUZOI-UHFFFAOYSA-N	271.404	4.762	70	10	CJIE	
CC[C@@H]1CC[C@H](N)[C@@H](Cc2ccc(C(C)C)cc2)C1	217634906	RPLLGNBHORGHGQ-OLMNPRSZSA-N	259.437	4.506	70	10	CJIE	
CCC[C@H]1CC[C@@H](NC)[C@@H](Cc2cccc(Cl)c2)C1	217708996	VCOKJYSAIAMKTC-YSVLISHTSA-N	279.855	4.687	70	10	CJIE	
CCC[C@@H](N[C@H]1CCC[C@@H](C)C1)c1cccs1	218145747	JHJSVAMFXXMPEA-HZSPNIEDSA-N	251.439	4.758	70	10	CJIE	
Clc1ccc([C@@H](N[C@@H]2C[C@@H]2c2ccccc2)C2CC2)cc1	218171324	AUMZJIGJGJTPNP-QRVBRYPASA-N	297.829	4.937	70	10	CJIE	
CCN[C@H]1CC[C@H](C)C[C@@H]1Oc1ccccc1[C@@H](C)CC	218778307	RZXUKBGVNCZOHG-MRHSLFKSSA-N	289.463	4.746	70	10	CJIE	
Fc1cc([C@H]2C[C@@H]2[B-](F)(F)F)cc(C(F)(F)F)c1	2009403776	GUBGOUKZUYQSAE-BDAKNGLRSA-N	270.964	4.549	70	10	CJIE	
CC=CCCCOc1ccc2cc([B-](F)(F)F)ccc2c1	2179731268	ZTLCJZFANVCGKQ-UHFFFAOYSA-N	293.117	4.629	70	10	CJIE	
CC(C)=C(COc1ccc(Cl)c(C)c1)[B-](F)(F)F	2301865398	WWLXQXUSPFGLOH-UHFFFAOYSA-N	277.502	4.750	70	10	CJIE	
CC(C)=C(CN(C)CC1CC2(CCCC2)C1)[B-](F)(F)F	2340333968	JTTIXNOGVCWMEM-UHFFFAOYSA-N	288.186	4.612	70	10	CJIE	
N[C@H](CC1=CCCCC1)Cc1cccc2ccccc12	161208053	FFQGHYVFVWRKON-GOSISDBHSA-N	265.400	4.600	70	10	CJIE	
CC(C)(C)c1ccc(C[C@H](N)CCC2CCCC2)cc1	161284180	CVKNOJMLIIQMHC-GOSISDBHSA-N	273.464	4.824	70	10	CJIE	
CCN[C@@H](Cc1ccc(C(C)(C)C)cc1)[C@H](C)C(C)C	161301020	WPJZRFABPYXRCR-QAPCUYQASA-N	275.480	4.797	70	10	CJIE	
CC[C@H]1CC[C@@H](NC)[C@@H](Cc2cccc3ccccc23)C1	217655478	YAWJNZBHBQNUBE-QKYXUNIQSA-N	281.443	4.797	70	10	CJIE	
C[C@@H](CCNCc1ccc([C@H]2C[C@@H]2C)o1)c1ccccc1	218202712	OIZVMSXOIHYJJD-MPGHIAIKSA-N	283.415	4.686	70	10	CJIE	
CCC[C@H]1CC[C@H](CN)[C@@H](Cc2cc(C)cc(C)c2)C1	218750036	RUVZUFUTMSKNKD-QXAKKESOSA-N	273.464	4.637	70	10	CJIE	
CCCN[C@@H]1CC[C@@H](CCC)C[C@@H]1Oc1cccc(C)c1	218773019	HCZMNSCJCZCFOI-QRQLOZEOSA-N	289.463	4.711	70	10	CJIE	
F[B-](F)(F)/C=C\c1cccc(-c2ccsc2)c1	309637300	OYDPISSJNLAOEB-XQRVVYSFSA-N	253.077	4.815	70	10	CJIE	
F[B-](F)(F)/C=C/c1ccc(-c2ccccc2)s1	1994923690	GMFMPRWCVBNGBW-CMDGGOBGSA-N	253.077	4.815	70	10	CJIE	
CCCCCCCCC(=O)N1CCC[C@@H]([B-](F)(F)F)C1	2133921561	XODIRLXMBZDCOB-CYBMUJFWSA-N	292.174	4.577	70	10	CJIE	
CCCC[C@@H](CC)COc1ccc(C)cc1[B-](F)(F)F	203319321	LCIYSUHZNOZKRY-CYBMUJFWSA-N	287.154	4.645	70	10	CJIE	
CC[C@H]1CC[C@@H](N)[C@@H](Cc2cccc3ccccc23)C1	217642766	ZCDPELYDALEOSI-POZUXBRTSA-N	267.416	4.536	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1OCC(=C(C)C)[B-](F)(F)F	2301964632	MCPPSFFBCGFQPM-AAEUAGOBSA-N	263.132	4.695	70	10	CJIE	
CCCNc1cc(Oc2ccc3c(c2)CCCC3)ccn1	159383838	QXQFKFVJBBFWOO-UHFFFAOYSA-N	282.387	4.575	70	10	CJIE	
CCNC[C@H](C[C@H]1CSc2ccccc21)C1CCCC1	159931695	MJCRGGWFZMEWTF-HOTGVXAUSA-N	289.488	4.682	70	10	CJIE	
CCCCC1CCC([C@H](O)c2cccc3c2OCC3)CC1	160144289	SNLKSPMOYZJOLE-JMLCCBQJSA-N	288.431	4.652	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](O)c1sccc1Cl	160995899	ZONFHGHLXMHDIV-HNNXBMFYSA-N	288.799	4.945	70	10	CJIE	
Cc1ccc(C[C@H](C)NCc2coc3ccccc23)s1	161104987	IMJHIZNITWGFET-LBPRGKRZSA-N	285.412	4.524	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)Cc1ccncc1Cl	161432671	BVANYYIHKBZPKZ-INIZCTEOSA-N	292.854	4.536	70	10	CJIE	
C[C@H]1C[C@@H]1c1ccc(CN[C@H](C)c2ccc(Cl)s2)o1	216626785	YYRLKJSPPMCUIS-UMNHJUIQSA-N	295.835	4.969	70	10	CJIE	
Cc1cc(N[C@H]2C[C@H](C)Sc3sccc32)ccc1O	217004839	FYISQJQAKBLVBC-GWCFXTLKSA-N	291.441	4.800	70	10	CJIE	
CCc1cccc(CC)c1NC(=O)Nc1ccc(F)cc1	217268687	WWCSDKVHCOFUIB-UHFFFAOYSA-N	286.350	4.595	70	10	CJIE	
CCC[C@@H]1CC[C@H](NC)[C@@H](Cc2ccc(F)cc2Cl)C1	217710093	NMWQLWPZYYWDRU-MRRJBJDNSA-N	297.845	4.826	70	10	CJIE	
CC(C)[C@@H](N[C@@H]1C[C@@H]2CC=C[C@H]21)c1ccc(Cl)cc1	217789496	ADKNFAKVGXLXIR-RKTXRCNFSA-N	275.823	4.591	70	10	CJIE	
Cc1cc(C)cc(C[C@]2(O)C[C@H](C)CC[C@H]2C(C)C)c1	217864650	MMVYDCKEHWDSBV-MDASCCDHSA-N	274.448	4.669	70	10	CJIE	
Cc1c([C@@H](C)N[C@@H]2CCC[C@@H](C)C2)oc2ccccc12	217996554	BSZDYCRZPDTAPF-BPLDGKMQSA-N	271.404	4.971	70	10	CJIE	
Cc1ccc([C@@H](O[C@@H]2C[C@@H](C)CC(C)(C)C2)[C@@H](C)N)s1	218262855	AROXILWGBZWVQS-MEWXFMAXSA-N	295.492	4.676	70	10	CJIE	
Cc1ccc(C(=O)CO[C@H]2C[C@@H](C)CC[C@H]2C(C)C)s1	218399142	WRLVBOYGBWAAPN-NOLJZWGESA-N	294.460	4.717	70	10	CJIE	
CCCc1cccc(-c2ccc3c(c2)CCCN3)c1	159635930	PIYHXABQUHHLKR-UHFFFAOYSA-N	251.373	4.664	70	10	CJIE	
CCCN[C@@H](C1=CCCCO1)c1cccc2ccccc12	160000398	UWHSWNTURKBQSI-LJQANCHMSA-N	281.399	4.575	70	10	CJIE	
Cc1ccc([C@@H](O)Cc2ccc(Cl)cc2F)cc1Cl	160405861	DDSKKMSRWYMYLT-HNNXBMFYSA-N	299.172	4.717	70	10	CJIE	
C[C@@H](CCNCc1coc2ccccc12)c1ccccc1	161102233	RFTFIOICVVQNAE-HNNXBMFYSA-N	279.383	4.716	70	10	CJIE	
CCOC1(C(=O)Cc2ccc(C)c(C)c2)CCCCCC1	161344928	NLWSENWLOOBXQP-UHFFFAOYSA-N	288.431	4.545	70	10	CJIE	
CC[C@@H]1CCCC[C@@H]1N[C@H](c1ccccc1)C1CC1	217517202	HWJZCGSSIKVANX-FHLIZLRMSA-N	257.421	4.696	70	10	CJIE	
CC(C)C[C@@H](NN1[C@@H](C)CCC[C@H]1C)c1ccccc1	218441959	HRAJZCKZJYUDGW-SOLBZPMBSA-N	274.452	4.541	70	10	CJIE	
Cc1cc(OCCCCC[C@H]2C[C@@H]2C)ccc1[B-](F)(F)F	2284872916	YBJHNRNNUDQOMW-JSGCOSHPSA-N	299.165	4.645	70	10	CJIE	
Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccc(Cl)cc21	159628860	DRKVNIJFGZNLOH-UHFFFAOYSA-N	289.806	4.697	70	10	CJIE	
CCC[C@H](C)C[C@H](O)c1ccc(Cl)c2cccnc12	160426619	QIYFOBSRSBBZGT-NHYWBVRUSA-N	277.795	4.748	70	10	CJIE	
CNCc1oc2c(C(C)(C)C)ccc(C)c2c1C(C)C	161194351	QQLYRIHOZSAVDC-UHFFFAOYSA-N	273.420	4.882	70	10	CJIE	
C[C@@H](O)c1ccc(SC/C=C\c2ccccc2)cc1	217717206	KFJSBCFZPKJAFV-BMWLXYDHSA-N	270.397	4.545	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@@H](N)[C@@H](Cc2ccc(Cl)s2)C1	217749211	PFPVLYFFSCAWPE-NTZNESFSSA-N	285.884	4.734	70	10	CJIE	
CCN[C@@H](c1ccc(C)cc1C)[C@H]1CCC[C@@H](C)C1	217976771	QJFJEALLJBTPQW-RPVQJOFSSA-N	259.437	4.780	70	10	CJIE	
CCCCCN(C(C)C)[C@H]1C[C@@H](CC)CC[C@@H]1NCCC	218690186	JJIBBYPVOSSHAH-FHWLQOOXSA-N	296.543	4.834	70	10	CJIE	
Cc1ccc([C@H](O)c2ccccc2C2CCC2)cc1Cl	160021599	KIIXXOYDPGTEEP-SFHVURJKSA-N	286.802	4.998	70	10	CJIE	
CCSCC[C@@H](C)NCC1CCC(C(C)(C)C)CC1	160062376	RETMCLJBEKCJRV-QQFBHYJXSA-N	285.541	4.960	70	10	CJIE	
Clc1cccc2[nH]c(C3C4CC5CC(C4)CC3C5)nc12	160187077	GTRIBGMSNLLPCF-UHFFFAOYSA-N	286.806	4.756	70	10	CJIE	
CCN[C@@H](c1ccccc1)c1c(C)ccc2ccccc12	160922176	RAMFCWGWLQKUPA-FQEVSTJZSA-N	275.395	4.847	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)[C@@H]1CCOC2(CCCCC2)C1	161281466	BJRQKSDDFYVDOJ-MSOLQXFVSA-N	291.479	4.594	70	10	CJIE	
Cc1cccc(/C=C/NC(=O)Nc2c(C)cc(C)cc2C)c1	217889098	XYXRBLOHBPZCGE-CMDGGOBGSA-N	294.398	4.713	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OC1CCC(CC)CC1	2197460587	BAIRNCQXCRBDLA-UHFFFAOYSA-N	299.165	4.651	70	10	CJIE	
C[C@@H]1CC[C@H](c2nc(C3CC3)c(CNC(C)(C)C)s2)C1	159607848	BRYJDKRKMWPGOX-YPMHNXCESA-N	292.492	4.812	70	10	CJIE	
CCCCOCCCN[C@H](C)c1ccc(C(C)(C)C)cc1	160220537	JWEULBVFUCMEOW-MRXNPFEDSA-N	291.479	4.842	70	10	CJIE	
CCN[C@H](c1ccc(F)c(C)c1)c1cccc(C)c1Cl	160320265	HEVJDENYDQXNDO-QGZVFWFLSA-N	291.797	4.795	70	10	CJIE	
CCc1ccc(C[C@@H](N)c2ccccc2C(C)(C)C)s1	161241440	XGNQAWCPNPESST-QGZVFWFLSA-N	287.472	4.851	70	10	CJIE	
Cc1ccccc1[C@@H](NCCCC1CC1)c1ccccc1	161361031	AMGMDOCOYLYJCF-FQEVSTJZSA-N	279.427	4.864	70	10	CJIE	
CCN[C@H](c1ccc(OCC)cc1)[C@@H]1CCC[C@@H](C)C1	217977510	BFLDSMOADLYNBX-QGPMSJSTSA-N	275.436	4.562	70	10	CJIE	
CC[C@@H]1CC[C@@H](CN)[C@@H](Cc2cccc(C(F)(F)F)c2)C1	218698231	WWTYVHMRXQDOHJ-VHDGCEQUSA-N	299.380	4.649	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](Cc2cccc(Cl)c2)C1	218757812	CISWHEJAGYWJRC-FVQBIDKESA-N	279.855	4.674	70	10	CJIE	
C=C(CCN(C)[C@@H]1CCC[C@@H]2CCCC[C@H]21)[B-](F)(F)F	2136425712	HIMJXRUXSHSAFQ-RRFJBIMHSA-N	288.186	4.610	70	10	CJIE	
C[C@@H]1C[C@H]1CCCCCN1CCC([B-](F)(F)F)CC1	2257294843	YMGSDXYBFIMVJS-CHWSQXEVSA-N	276.175	4.516	70	10	CJIE	
CC(C)=C(CN1CC[C@@H](C2CCCCC2)C1)[B-](F)(F)F	2340136164	ADSCTWDARMYWHW-CQSZACIVSA-N	288.186	4.612	70	10	CJIE	
CCCCC1CCC(N)([C@H]2C[C@@H]2c2ccccc2)CC1	159548757	DCDBVCWDPLSLET-BEVRRMAYSA-N	271.448	4.868	70	10	CJIE	
CCCNC[C@@H](CCCOc1ccccc1)C1CCCC1	159954743	DDENCCDZKGVASX-GOSISDBHSA-N	289.463	4.652	70	10	CJIE	
Cc1cccc([C@@H](C)N[C@H](C)c2cccc(C)c2)c1	160141318	FIUIJWOQNDEYQV-HZPDHXFCSA-N	253.389	4.715	70	10	CJIE	
CCN[C@H]1CC[C@@H](CC)C[C@@H]1Cc1cccc(Cl)c1	217671883	FNDCKKMOYIEKTN-UNEWFSDZSA-N	279.855	4.687	70	10	CJIE	
Cc1ccccc1C[C@H](C)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218101099	IWLQPYVGDXQWOP-TXJVSEOTSA-N	285.475	4.730	70	10	CJIE	
CC(C)=C(CN(C)CC[C@@H]1CCCC12CC2)[B-](F)(F)F	2340315873	TURMMSOKBWZIRI-ZDUSSCGKSA-N	288.186	4.612	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](N)c1c(F)cccc1Cl	160855834	VZNWHLXQWVCGOA-GOSISDBHSA-N	299.776	4.989	70	10	CJIE	
CCc1ccc(C[C@H](N)c2ccc(C(F)(F)F)cc2)s1	161172216	PYHUYFGDYOLNKD-AWEZNQCLSA-N	299.361	4.572	70	10	CJIE	
CCOC1(C(=O)c2ccc(C)s2)CCC(C)(C)CC1	161246199	ZIGMOLMJOUXKAU-UHFFFAOYSA-N	280.433	4.615	70	10	CJIE	
Cc1c(Cl)nc(C(C)C)nc1N[C@@H]1CC[C@@H](C)[C@@H](C)C1	217561680	KMTJKEQKSUMFEX-NTZNESFSSA-N	295.858	4.798	70	10	CJIE	
CCCCCN(C(C)C)[C@H](c1ccccc1C)[C@@H](N)CC	217826830	YRGBVPNLUGSLFT-RBUKOAKNSA-N	290.495	4.674	70	10	CJIE	
CCC[C@H]1CC[C@H](CN)[C@@H](Cc2ccc(Cl)cc2)C1	218749161	DEYXXMVBLXLUJN-NUEKZKHPSA-N	279.855	4.674	70	10	CJIE	
CCN[C@@H]1CC[C@H](CC)C[C@@H]1Oc1ccccc1C(C)C	218777311	MBGCRYQWSDDLHP-WDYCEAGBSA-N	289.463	4.746	70	10	CJIE	
CCCCN(CCCC)CC(=C(C)C)[B-](F)(F)F	2301853887	FCWNXDAZHGDDKH-UHFFFAOYSA-N	264.164	4.612	70	10	CJIE	
F[B-](F)(F)Cc1cc(C(F)(F)F)ccc1C(F)(F)F	2315341572	VHELDAGFZHGULE-UHFFFAOYSA-N	294.933	4.653	70	10	CJIE	
CC(C)(C)CC1CC(CN2CC[C@](C)([B-](F)(F)F)C2)C1	2342494064	VGMUEOQJBNNLND-PIMMBPRGSA-N	290.202	4.762	70	10	CJIE	
C[C@@H]1C[C@H](N[C@H](C)c2ccc(F)cc2)CC(C)(C)C1	159839829	YRGITJIBXMANCS-IOASZLSFSA-N	263.400	4.691	70	10	CJIE	
CCCc1ccc([C@H](C)Nc2ccc(F)c(OC)c2)cc1	159990667	LIICVIQMVSOPQJ-ZDUSSCGKSA-N	287.378	4.960	70	10	CJIE	
CC[C@H](C)[C@@H](c1ccccc1)[C@@H](Cc1cccs1)NC	160655276	MSKIGDUTUZGPDB-QGTPRVQTSA-N	287.472	4.709	70	10	CJIE	
Cc1ccc([C@H](Nc2cccc(N(C)C)c2)C2CC2)cc1	161134807	ZKCRKQSRDVXELG-IBGZPJMESA-N	280.415	4.624	70	10	CJIE	
CCCNCc1oc2ccc(OCCC)cc2c1C(C)C	161318068	LTMBJFFKJDQCFD-UHFFFAOYSA-N	289.419	4.845	70	10	CJIE	
CO[C@@H](C(=O)c1ccc(C(C)(C)C)cc1)C1CCCCC1	161398714	CBYXQPVOLQMLJT-GOSISDBHSA-N	288.431	4.762	70	10	CJIE	
CCN[C@H]1CC[C@@H](CC)C[C@@H]1CCCOc1ccccc1	217662629	WSLGMFVMAUUWBI-AOIWGVFYSA-N	289.463	4.650	70	10	CJIE	
COc1ccc(Cl)cc1[C@@]1(N)C[C@H](C)CC[C@@H]1C(C)C	217884004	GRKQXXBSKHJZKW-SUYBPPKGSA-N	295.854	4.595	70	10	CJIE	
C[C@@H]1C[C@@H](NCC[C@H](C)c2ccccc2)CC(C)(C)C1	218202838	CGRGUUAYRGPQRX-SOLBZPMBSA-N	273.464	4.985	70	10	CJIE	
C=C(CCO[C@@H](CC)CCCCC)[B-](F)(F)F	1995345333	RGAMZXPXRFZNDJ-LBPRGKRZSA-N	251.121	4.695	70	10	CJIE	
CCCNCc1sc(C2CCCCCC2)nc1C1CC1	159494723	VPAMUIYBWJFLRO-UHFFFAOYSA-N	292.492	4.958	70	10	CJIE	
CCNCc1sc([C@H]2CC[C@@H](CC)C2)nc1CC(C)C	159787008	AHWYVRBRYZYLHG-KGLIPLIRSA-N	294.508	4.745	70	10	CJIE	
Cc1cc([C@H](O)c2ccccc2C2CCC2)sc1C	160007981	TUGCAFZTVBRRDV-QGZVFWFLSA-N	272.413	4.714	70	10	CJIE	
CCN[C@@H](Cc1ccc(CC)s1)c1ccc(C)cc1C	161208847	RDYDLHSPLXYKLZ-SFHVURJKSA-N	287.472	4.821	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1c(F)cccc1F	161368223	FNIBRGFKFZAFMB-OAHLLOKOSA-N	265.347	4.506	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)c1ccc(OC)cc1	161382449	OORAUCBJCAQNKJ-SFHVURJKSA-N	273.420	4.626	70	10	CJIE	
CN[C@H](c1ccc2c(c1)C(C)(C)CCC2(C)C)C1CC1	161488629	TXHSSWSRCNDBOS-KRWDZBQOSA-N	271.448	4.706	70	10	CJIE	
CCCOc1cccc(N[C@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c1	217622360	JSQAYJBLYUGUME-RJEZFDHBSA-N	285.431	4.712	70	10	CJIE	
C[C@H]1CCC[C@@H]([C@@H](O)c2ccc(C(C)(C)C)cc2)C1	217919764	GPYWHKULEAKNSU-LXZKKBNFSA-N	260.421	4.844	70	10	CJIE	
O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)[C@@H]1CCCc2ccccc21	218018427	CMYUOQDZDQJUPZ-JXSMBQFASA-N	268.400	4.502	70	10	CJIE	
Cc1cccc(C2CC(N[C@@H]3CCC[C@@H](C)[C@H]3C)C2)c1	218065621	VIDSICUSDLBBEX-ZBPHDNMCSA-N	271.448	4.655	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](CN)[C@@H](CCSc2ccccc2)C1	218770049	QXMJYQHQDOIXSM-IXDOHACOSA-N	291.504	4.816	70	10	CJIE	
C=C(CCO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[B-](F)(F)F	2044979736	LXRLETHTIIEPCI-MRVWCRGKSA-N	277.159	4.797	70	10	CJIE	
O[C@@H](c1ccc2c(c1)CCC2)c1cc2cc(Cl)ccc2o1	159362959	IWEFPTDZJTWHHR-SFHVURJKSA-N	298.769	4.657	70	10	CJIE	
Cc1cccc([C@H](O)c2cccc(C3CCC3)c2)c1Cl	160204101	NNYCQHYPUSCFSQ-GOSISDBHSA-N	286.802	4.998	70	10	CJIE	
Cc1ccc([C@H](N)c2c(C)ccc3ccccc23)c(F)c1	160846142	OENOTJRGOMODSJ-IBGZPJMESA-N	279.358	4.644	70	10	CJIE	
CCOC1(C(=O)[C@H]2CCCC[C@H]2CC)CCC(C)CC1	160974237	MUIDFRYVTSDKFL-NDUQDZPOSA-N	280.452	4.757	70	10	CJIE	
CC[C@@H](NC)c1ccc2c(c1)C(C)(C)CCC2(C)C	161487330	KABHOVBVICFVFO-MRXNPFEDSA-N	259.437	4.706	70	10	CJIE	
CC[C@@H](N)[C@@H](O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)c1ccco1	218105719	BXPVVDQZETUMRW-DBXHJTGRSA-N	293.451	4.535	70	10	CJIE	
F[B-](F)(F)/C=C/c1ccccc1OCc1ccccc1	390784049	UCJWNUBNBCGLCW-ZHACJKMWSA-N	277.074	4.665	70	10	CJIE	
CC(C)=C(CSc1cccs1)[B-](F)(F)F	1888997405	WUJJKOGPZFUCSX-UHFFFAOYSA-N	251.127	4.563	70	10	CJIE	
CC(C)=C(CSCC1CC(C)(C)C1)[B-](F)(F)F	1901701350	OETFQLMLICIWSL-UHFFFAOYSA-N	265.173	4.879	70	10	CJIE	
CC[C@@H]1CCCC[C@@H]1OCc1cccc([B-](F)(F)F)c1C	2283566648	TVHKYHRBWNXJRW-CJNGLKHVSA-N	299.165	4.535	70	10	CJIE	
CC[C@H](OC[B-](F)(F)F)c1ccc(C(F)(F)F)cc1	2320746356	DXQWWKCVWSVKNY-JTQLQIEISA-N	285.016	4.560	70	10	CJIE	
CC(C)(C)NC[C@](C)(C1CC1)[C@H]1C[C@@H]1c1ccccc1	159484945	CPIZINNIDAYHKO-ZIFCJYIRSA-N	271.448	4.595	70	10	CJIE	
CCCN[C@H](C1=CCCCO1)c1ccc(C(C)(C)C)cc1	160385745	XCNLAFGZUQWTJE-SFHVURJKSA-N	287.447	4.719	70	10	CJIE	
CC[C@@H](c1ccccc1)[C@@H](CC1CCCCC1)NC	161022425	DIGDEIDRPAKCOR-ZWKOTPCHSA-N	259.437	4.739	70	10	CJIE	
Cc1ccc([C@@H](O)c2cc3ccc(F)cc3s2)cc1C	161216423	ALOADYILLUPLFR-QGZVFWFLSA-N	286.371	4.739	70	10	CJIE	
Cc1ccc([C@@H](N)Cc2ccc(C(C)(C)C)cc2)c(C)c1	161252013	XBTJGJOWVMLLHZ-IBGZPJMESA-N	281.443	4.843	70	10	CJIE	
CCN[C@@H](Cc1ccc(C(C)(C)C)cc1)[C@@H](C)C(C)C	161300786	WPJZRFABPYXRCR-YJBOKZPZSA-N	275.480	4.797	70	10	CJIE	
CCCOc1ccc2oc(CNC(C)C)c(C(C)C)c2c1	161323714	LSAHBBVOPKGTGD-UHFFFAOYSA-N	289.419	4.843	70	10	CJIE	
CCOC1(C(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)CCCCCC1	161357713	LNZLAAKUGIKFCH-ARFHVFGLSA-N	280.452	4.757	70	10	CJIE	
Cc1cc(OC[C@@H](C)C2CCCCC2)ccc1[B-](F)(F)F	380689934	FDFGPDUMPQXWDT-CYBMUJFWSA-N	299.165	4.645	70	10	CJIE	
COc1cc(Cl)c([C@@H]2C[C@@H]2[B-](F)(F)F)cc1Cl	2243330226	MNXQVEVSMUNUSU-FSPLSTOPSA-N	283.893	4.707	70	10	CJIE	
CC(C)=C(CN(C)[C@@H]1CCCCC[C@@H]1C)[B-](F)(F)F	2317862715	CKLPNTJYHXDKRH-GXTWGEPZSA-N	276.175	4.610	70	10	CJIE	
CC(C)CNCc1oc2c(F)cccc2c1CC(C)C	161105784	XEMUKOLCUOFQPK-UHFFFAOYSA-N	277.383	4.516	70	10	CJIE	
CNCc1oc2c(C(C)(C)C)ccc(C)c2c1C1CC1	161193684	LZPOAXMCXFJQMH-UHFFFAOYSA-N	271.404	4.636	70	10	CJIE	
Cc1ccc(NC(=O)Nc2c(F)cccc2Cl)cc1C	217313176	MTOOHFRCHCIWMW-UHFFFAOYSA-N	292.741	4.740	70	10	CJIE	
CN[C@@H](Cc1ccc(C(C)(C)C)cc1)[C@H]1CCC[C@@H](C)C1	217967152	KWEUZLDINPZCIT-AYBZRNKSSA-N	287.491	4.941	70	10	CJIE	
CCCN[C@@H](Cc1ccccc1F)[C@@H]1CCC[C@@H](C)C1	218029292	QKSWKRXXPFRJKH-KYJSFNMBSA-N	277.427	4.563	70	10	CJIE	
Cc1cc([C@H](C)N[C@H]2C[C@@H](C)CC(C)(C)C2)c(C)o1	218172636	ZZKMELDXAXXILB-ZLDLUXBVSA-N	263.425	4.762	70	10	CJIE	
C[C@H]1CCC[C@@H](CCN2CCC([B-](F)(F)F)CC2)C1	2253939378	RZXGIYDFKXRYCT-STQMWFEESA-N	276.175	4.516	70	10	CJIE	
CC(C)=C(COc1ccc(Cl)c(F)c1F)[B-](F)(F)F	2317856651	KVCKUIJXWBJUJB-UHFFFAOYSA-N	299.455	4.720	70	10	CJIE	
C[C@@H]1CCC[C@H](Oc2nc3ccccc3cc2CCl)C1	20517657	TUZKUQOYGVPJND-DOMZBBRYSA-N	289.806	4.931	70	10	CJIE	
CC(C)(C)NC[C@H](CCC[C@H]1CCCO1)C1CCCC1	160006426	RBVVJMQSEVWSHT-IRXDYDNUSA-N	281.484	4.530	70	10	CJIE	
CCCCN([C@@H](C)CC)[C@H](c1ccc(C)cc1)[C@@H](N)CC	217829806	YNBCVEVAZZULSX-YTQUADARSA-N	290.495	4.674	70	10	CJIE	
CCCCN([C@@H](C)CC)[C@H](c1cccc(C)c1)[C@@H](N)CC	217830485	FDSCAFIPSBKOHF-YTQUADARSA-N	290.495	4.674	70	10	CJIE	
C[C@H]1CCC[C@@H]([C@@H](O)c2cc(Cl)ccc2Cl)C1	217912594	ZFSCGHUHMBXNOR-IMSIIYSGSA-N	273.203	4.853	70	10	CJIE	
CCCN[C@H](c1cccc(C)c1)[C@H]1CCC[C@@H](C)C1	218029767	SUEJXVIXTBAQKB-BPQIPLTHSA-N	259.437	4.862	70	10	CJIE	
CCCC[C@H](CC)CO[C@H](C(C)C)[C@@H](O)c1ccccc1	218556348	BWYNNHQORBWGSC-YTQUADARSA-N	292.463	4.978	70	10	CJIE	
C[C@H]1CC[C@H](CN)[C@@H](Cc2ccc(Cl)c(Cl)c2)C1	218580430	SDLMUELDBPVQKT-CYZMBNFOSA-N	286.246	4.547	70	10	CJIE	
Cc1sc([C@H]2C[C@@H]2[B-](F)(F)F)cc1Br	1882176530	HVCYGHMGGDDUMH-WDSKDSINSA-N	283.929	4.524	70	10	CJIE	
Cc1cc(Br)c(F)c([C@@H]2C[C@H]2[B-](F)(F)F)c1	1894116050	OPSRQJNAAMSEES-POYBYMJQSA-N	295.890	4.602	70	10	CJIE	
F[B-](F)(F)C=Cc1ccc(C(F)(F)F)c(Cl)c1	1911651820	KNHKHCBSJZOXSF-UHFFFAOYSA-N	273.392	4.759	70	10	CJIE	
CCCc1ccccc1OCC(=C(C)C)[B-](F)(F)F	2317998134	OPCAVKAXJFMAER-UHFFFAOYSA-N	271.111	4.741	70	10	CJIE	
CC(C)CCC[C@@H](C)CCN1CC[C@H]([B-](F)(F)F)C1	2319655626	JABJNABNLSXRHF-KGLIPLIRSA-N	278.191	4.762	70	10	CJIE	
CC(C)SCc1nc(C2CC2)c(CNC(C)(C)C)s1	159639292	JEIKTJZRNGQZEB-UHFFFAOYSA-N	298.521	4.550	70	10	CJIE	
CCCNC[C@@H]1CCCC[C@@H]1[C@@H]1C[C@@H]1c1ccccc1	159665353	ATLXXSBCVOPBQQ-OKYOBFRVSA-N	271.448	4.596	70	10	CJIE	
CCc1ccc([C@H](C)Nc2ccc(F)c(OC)c2)cc1	160024187	GCYMOJDZFOHXGG-LBPRGKRZSA-N	273.351	4.570	70	10	CJIE	
CCSCC[C@H](C)NC1CC(c2ccc(Cl)cc2)C1	160034357	UQDTZTRJMWPLMR-YGONEPDPSA-N	297.895	4.707	70	10	CJIE	
CC(C)CNCC1(C[C@@H]2CCC(C)(C)O2)CCCCC1	160898137	JVFPEHJYLRSIGE-INIZCTEOSA-N	281.484	4.530	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](O)[C@H]1Cc2ccccc21	160980115	NZCLSOHQRRSLBM-AZUAARDMSA-N	274.363	4.522	70	10	CJIE	
Cc1ccc(NC(=O)Nc2c(F)cccc2Cl)c(C)c1	217313120	ZZOWWNSPPUZSTE-UHFFFAOYSA-N	292.741	4.740	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1N[C@H](C)Cc1ccccc1	217520343	ASBCQSZCGGWBDO-ISARSNTHSA-N	273.464	4.668	70	10	CJIE	
CCC[C@H]1CC[C@@H](NCC)[C@@H](Cc2ccc(F)cc2)C1	217728443	AVMBMJJTVGCVCJ-YXJHDRRASA-N	277.427	4.563	70	10	CJIE	
Cc1cccc([C@H](O)c2cc3cc(Cl)ccc3o2)c1F	159378764	FTEKBTYVRUYFKF-INIZCTEOSA-N	290.721	4.615	70	10	CJIE	
Cc1c(C(=O)OC(C)(C)C)csc1-c1cccc(F)c1	159503336	OTVWEGGLVASACQ-UHFFFAOYSA-N	292.375	4.818	70	10	CJIE	
CC[C@H]1Nc2ccc(Cl)cc2O[C@H]1c1ccccc1	160573539	QXHZRSWWWHIDQA-CJNGLKHVSA-N	273.763	4.664	70	10	CJIE	
CCCN[C@H](Cc1ccc(F)cc1Cl)[C@@H](C)CCC	160625458	NTXHGADMTZMGPF-BLLLJJGKSA-N	285.834	4.826	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](O)Cc1ccccc1F	161001038	QILQOOIIPIQRBR-SFHVURJKSA-N	280.342	4.563	70	10	CJIE	
CN[C@H](CC1CCCCC1)c1c(F)ccc(C)c1F	161077000	QXORHVNAEAQCLX-CQSZACIVSA-N	267.363	4.504	70	10	CJIE	
Cc1cccc(C(=O)Nc2ccc3sccc3c2)c1F	161426259	FFHULOXZFJPDTC-UHFFFAOYSA-N	285.343	4.601	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)c1c(F)cccc1F	161434047	XAMCRJGQSKRTFQ-MRXNPFEDSA-N	279.374	4.896	70	10	CJIE	
C[C@H]1C[C@@H]([C@@H](NN)c2ccc(C(C)(C)C)cc2)CC[C@H]1C	217318982	BSBSZBHCERDSLV-OAOQPFQOSA-N	288.479	4.561	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1Cc1cc(C)cc(C)c1	217752522	LXMUDSJZDGEOQO-IPMKNSEASA-N	287.491	4.896	70	10	CJIE	
CCCC[C@@H](CC)CO[C@H](c1cccs1)[C@@H](N)CC	218267812	NJKRPPTZYORRQR-YCPHGPKFSA-N	283.481	4.760	70	10	CJIE	
CC(C)=C(CSCc1ccc(C)o1)[B-](F)(F)F	1901701577	ORJYQDWXULBFPT-UHFFFAOYSA-N	263.113	4.544	70	10	CJIE	
CC(C)c1ccccc1CN1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2194157333	JPWPEYIHPJBLEN-ZBFHGGJFSA-N	296.165	4.623	70	10	CJIE	
F[B-](F)(F)C1CCN(Cc2csc3ccccc23)CC1	2231082667	LEVTVEBDZYPSQQ-UHFFFAOYSA-N	298.162	4.715	70	10	CJIE	
CCC[C@H]1CC[C@H](CN2CC[C@@H]([B-](F)(F)F)C2)CC1	2319655667	JQVUVUBJRUYIOI-MGPQQGTHSA-N	276.175	4.516	70	10	CJIE	
CC(C)=C(CN1[C@H]2CC[C@H]1c1ccccc12)[B-](F)(F)F	2340161754	LAMKTXIRHMMNFQ-GJZGRUSLSA-N	280.122	4.601	70	10	CJIE	
CC(C)(C)c1ccc(C[C@@H](N)c2ccc(Cl)s2)cc1	161259599	CCHKISBTTNEWOA-CYBMUJFWSA-N	293.863	4.942	70	10	CJIE	
CCC[C@H]1CC[C@@H](NC)[C@@H](Cc2ccc(F)cc2Cl)C1	217710003	NMWQLWPZYYWDRU-DXCKQFNASA-N	297.845	4.826	70	10	CJIE	
CC[C@H](C)[C@H](c1ccccc1)[C@@H](NC)C1=CCCC1	217884707	HQDBGIWXXSFKBP-QGTPRVQTSA-N	257.421	4.515	70	10	CJIE	
CN[C@@H](c1cccc2ccccc12)[C@@H]1CCC[C@@H](C)C1	217960347	FLMZYHYXLFRPOK-IDHHARJASA-N	267.416	4.927	70	10	CJIE	
CCN[C@@H](c1ccccc1Cl)[C@H]1CCC[C@@H](C)C1	217982207	BXUKCIHEFUWPQN-DVOMOZLQSA-N	265.828	4.817	70	10	CJIE	
CC[C@H]1CCC[C@@H]([C@@H](O)c2cccc(Cl)c2F)C1	218728223	USPWQJGXRGUYPP-FIXISWKDSA-N	270.775	4.729	70	10	CJIE	
CC(C)=C(CSCc1cccc(C)c1)[B-](F)(F)F	2301863132	ALEUGCUHMZRDEN-UHFFFAOYSA-N	273.152	4.951	70	10	CJIE	
CC(C)=C(CN(C)C[C@@H](F)C1CCCCC1)[B-](F)(F)F	2340329953	ZYULHCHITPQZEV-CQSZACIVSA-N	294.165	4.560	70	10	CJIE	
CCCCOCCCN[C@H]1CCCC[C@H]1c1ccccc1	160249636	WQCIGSLRDBTJQT-OALUTQOASA-N	289.463	4.509	70	10	CJIE	
CC[C@H]1CCCC[C@H]1N[C@H](CC)c1ccc(F)cc1	217853088	XMJZFLWACMWJGY-IAOVAPTHSA-N	263.400	4.835	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1NC1CC(c2ccccc2)C1	217887623	IZBQVILPAAQTKO-SSXGPBTGSA-N	285.475	4.983	70	10	CJIE	
Cc1ccc(NC(=O)N/C=C/C2CCCCC2)c(C)c1	218634030	BLPWDPDFUAXGJF-ZHACJKMWSA-N	272.392	4.519	70	10	CJIE	
Fc1ccc([C@H]2C[C@H]2[B-](F)(F)F)c(C(F)(F)F)c1	2009404224	LNQPNPRCUDYCLC-VXNVDRBHSA-N	270.964	4.549	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1OC[C@H]1CCCC(C)(C)C1	2203162665	NIKZQMSKZDKKLN-ZDUSSCGKSA-N	299.165	4.645	70	10	CJIE	
Cc1ccc(OCCCCC[C@H]2C[C@H]2C)c([B-](F)(F)F)c1	2284872472	UTXWIHLDTMOKPA-KGLIPLIRSA-N	299.165	4.645	70	10	CJIE	
CC(C)=C(COC[C@@H]1CC12CCCCC2)[B-](F)(F)F	2317863725	MYUJCGOHABJXRH-LBPRGKRZSA-N	275.143	4.696	70	10	CJIE	
Fc1cccc(Cl)c1C[C@H](CNC1CC1)C1CCCC1	159986870	VBJYLNRFEPEUMZ-CYBMUJFWSA-N	295.829	4.580	70	10	CJIE	
CC[C@H](C)[C@H](c1ccccc1)[C@@H](Cc1cccs1)NC	160655535	MSKIGDUTUZGPDB-BMGDILEWSA-N	287.472	4.709	70	10	CJIE	
Cc1cc(CNCc2cc(Cl)ccc2F)cc(C)c1F	160861137	FGMMNZJWXQJPCE-UHFFFAOYSA-N	295.760	4.525	70	10	CJIE	
Cc1ccc([C@@H](N)c2c(C)ccc3ccccc23)c(C)c1	160874344	DVLAYBFYUFCTSI-HXUWFJFHSA-N	275.395	4.813	70	10	CJIE	
CN[C@H](c1ccc(C)cc1)c1cc2ccc(F)cc2s1	161138163	WTIVMDHEQYQVPQ-QGZVFWFLSA-N	285.387	4.658	70	10	CJIE	
CC(C)(C)c1ccc(C[C@H](N)c2cc3c(s2)CCC3)cc1	161252653	OJQWTSUTODXRPW-INIZCTEOSA-N	299.483	4.777	70	10	CJIE	
F[B-](F)(F)COc1ccc(-c2ccccc2)cc1Cl	203439716	YZSJGZJCOVSDAE-UHFFFAOYSA-N	285.481	4.772	70	10	CJIE	
CC[C@H]1CC[C@@H](N)[C@@H](Cc2ccc(Cl)c(Cl)c2)C1	217638001	UWJUFGZCBQHCAO-JVLSTEMRSA-N	286.246	4.690	70	10	CJIE	
Cc1ccc(N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1F	218072708	QOLOXDMHWGASGD-XGWLTEMNSA-N	261.384	4.761	70	10	CJIE	
COc1c(C)ccc(N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1C	218074921	HRDVZAJNRCZGJQ-IDHHARJASA-N	287.447	4.939	70	10	CJIE	
Cc1ccccc1C[C@H](C)N[C@H]1C[C@@H](C)CC[C@@H]1C(C)C	218101800	VVZKQZQYVIKHNY-UUXHPUJUSA-N	287.491	4.976	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1cc(F)c(F)cc1F	218194155	GXFWGMWUNWNXPK-PGUXBMHVSA-N	285.353	4.977	70	10	CJIE	
Cc1ccsc1[C@H](CN)O[C@H]1C[C@H](C)CC[C@H]1C(C)C	218248846	HNMSSNLSTVRXQE-OEAJRASXSA-N	295.492	4.534	70	10	CJIE	
C[C@@H]1CC[C@H](C(C)(C)c2cc(F)ccc2Cl)[C@@H](N)C1	218512015	PRARAJJSZAJCSZ-GMXABZIVSA-N	283.818	4.520	70	10	CJIE	
Cc1ccc(C(C)C)c(O[C@@H]2C[C@@H](C(C)C)CC[C@H]2O)c1	218541998	QOHUQNDHJCXZRD-KVSKMBFKSA-N	290.447	4.683	70	10	CJIE	
Cc1cc(OCCC2=CCCCC2)c(C)c([B-](F)(F)F)c1	686551361	XIADTUFLHRNFNJ-UHFFFAOYSA-N	297.149	4.627	70	10	CJIE	
F[B-](F)(F)[C@H]1CCCN(C[C@@H]2C[C@H]2C2CCCCC2)C1	2332805942	XERYIBHCOFTFKK-KKUMJFAQSA-N	288.186	4.516	70	10	CJIE	
CCc1ccsc1[C@@H](O)c1cc2cccc(Cl)c2o1	159677000	IQDIYWWPMKCZFV-ZDUSSCGKSA-N	292.787	4.792	70	10	CJIE	
CCCN[C@@H](Cc1ccccc1)c1cccc(C)c1Cl	160360644	HKJIIVLHIKRYEQ-KRWDZBQOSA-N	287.834	4.932	70	10	CJIE	
CO[C@@]1(C(=O)c2cccc3ccccc23)CCC[C@@H](C)C1	161129133	FKJKLLHGWUFNPG-KUHUBIRLSA-N	282.383	4.618	70	10	CJIE	
CCc1ccc([C@@H](N)c2cc3ccc(F)cc3s2)cc1	161131159	KWSBPDIOMUOMLJ-QGZVFWFLSA-N	285.387	4.651	70	10	CJIE	
CCNCc1oc2c(C)cc(Cl)cc2c1CC(C)C	161177213	NRAQSKFMKYFRGT-UHFFFAOYSA-N	279.811	4.703	70	10	CJIE	
Clc1cc(Cl)cc(CCNc2ccccc2)c1	218378854	VNFIGQWCVLPWHP-UHFFFAOYSA-N	266.171	4.648	70	10	CJIE	
C[C@@]1([B-](F)(F)F)CCN(CCCC2=CCCCC2)C1	2319731707	WFKOGLKBWFBFGI-CQSZACIVSA-N	274.159	4.580	70	10	CJIE	
CC1(C)CC2(CC(CN3CC[C@](C)([B-](F)(F)F)C3)C2)C1	2342525441	ZKCBFTHOVUCZBX-AWEZNQCLSA-N	288.186	4.516	70	10	CJIE	
C[C@H]1CC[C@@H](N[C@H](C)c2ccc(Cl)cc2)C[C@@H]1C	159950271	JBJMSFFRLMBQHN-BCUIYNNISA-N	265.828	4.815	70	10	CJIE	
CCOC1(C(=O)c2cccc3ccsc23)CCCCC1	160811820	UWSGOSAWMHSQBY-UHFFFAOYSA-N	288.412	4.823	70	10	CJIE	
CC(C)Oc1cccc([C@@H](C)N[C@@H]2CCCC[C@@H]2C)c1	217700614	VYSJRZCQPJNOJC-HDMKZQKVSA-N	275.436	4.703	70	10	CJIE	
Cc1nc([C@@H](C)N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c(C)s1	218068931	YUMVMQYWGSFDGN-KEAXFYSCSA-N	292.492	4.625	70	10	CJIE	
CC(C)=C(CO[C@@H]1CC[C@@H](C)[C@H](C)C1)[B-](F)(F)F	2301864043	JTYXBINUGXPZIE-IJLUTSLNSA-N	263.132	4.551	70	10	CJIE	
CC(C)c1cccc(CN2CC[C@](C)([B-](F)(F)F)C2)c1	2343752862	DHHFCYDHEDKDOZ-HNNXBMFYSA-N	284.154	4.623	70	10	CJIE	
CC(C)CC1([C@@H](O)c2cccc3c2OCCC3)CCCC1	159755329	SNBMDDMIUDMOPK-SFHVURJKSA-N	288.431	4.652	70	10	CJIE	
CCCN[C@H](c1ccc(C)o1)C1C2CC3CC(C2)CC1C3	160143381	DYGJCMADGJFTOZ-JGQSZJPNSA-N	287.447	4.701	70	10	CJIE	
CCC[C@](C)(CNC(C)(C)C)C[C@H]1CCC(C)(C)O1	160902760	TVSSGJWAKBWTEI-PBHICJAKSA-N	269.473	4.529	70	10	CJIE	
Cc1ccc(C[C@@H](N)c2cc3ccc(F)cc3s2)cc1	161173155	LLLRQHVDNCEHEI-OAHLLOKOSA-N	285.387	4.591	70	10	CJIE	
Cc1ccc(N[C@@H](C)c2cc(F)cc(F)c2)cc1N(C)C	161200948	GENPKIYXIRKGHK-LBPRGKRZSA-N	290.357	4.512	70	10	CJIE	
Cc1cc(-c2cc([C@H](C)N)cs2)ccc1Br	217256120	BWOILYJNWKSRBW-VIFPVBQESA-N	296.233	4.506	70	10	CJIE	
C[C@H]1CCC[C@H](C)C1N[C@H](C)Cc1cccc(Cl)c1	217702567	XMOGBUIBPHLFLK-MELADBBJSA-N	279.855	4.685	70	10	CJIE	
CCC(CC)CN(CC)[C@H](c1sccc1C)[C@@H](N)CC	217811079	CYLDHFCISQYVCE-HOTGVXAUSA-N	296.524	4.593	70	10	CJIE	
C[C@H](c1cccc(O)c1)N1CCC[C@@H](C(C)(C)C)CC1	217884873	RJSCUAYHJRYQQW-GDBMZVCRSA-N	275.436	4.601	70	10	CJIE	
F[B-](F)(F)C1CCN(C[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2231068390	CLVFGWVQJHJYKI-BTTYYORXSA-N	288.186	4.516	70	10	CJIE	
CC(C)(C)NCc1sc(-c2cccs2)nc1C1CC1	159642618	SGAFLYWMRJUCRS-UHFFFAOYSA-N	292.473	4.637	70	10	CJIE	
CC(C)[C@H]1Nc2cccc(Cl)c2O[C@@H]1c1ccccc1	160532758	WXFYSHMEQDVDSR-HZPDHXFCSA-N	287.790	4.910	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)s1)c1ccccc1CC	161189057	KRGQKXIVKJHFGY-GOSISDBHSA-N	287.472	4.766	70	10	CJIE	
C1=C[C@H]2[C@@H](Nc3ccccc3Cc3ccccc3)C[C@H]2C1	217836559	DLFKTHKPQCFASF-POAQFYNOSA-N	275.395	4.654	70	10	CJIE	
C[C@H]1CCC[C@H]([C@@H](N)c2cccc3ccccc23)C1	217944708	XGWDPAKLNPWNFC-DHSIGJKJSA-N	253.389	4.666	70	10	CJIE	
CC(C)CCCCCN1CCC[C@H]([B-](F)(F)F)C1	2016101347	VFWOAJMWJREBMZ-ZDUSSCGKSA-N	264.164	4.516	70	10	CJIE	
Cc1cc(C)cc(C[C@@H](CNC(C)C)C2CCCC2)c1	159968728	BNVHCPNLYKRHMT-IBGZPJMESA-N	273.464	4.650	70	10	CJIE	
Cc1cccc([C@@H](N)c2ccc(F)c3ccccc23)c1Cl	160313757	DNJHSOOKZASKQC-SFHVURJKSA-N	299.776	4.989	70	10	CJIE	
Cc1cscc1C(=O)c1c(C)ccc2ccccc12	160830087	LAESPCUWOUBSKJ-UHFFFAOYSA-N	266.365	4.749	70	10	CJIE	
CC(C)CNCc1oc2ccc(F)cc2c1CC(C)C	161159961	RJLJBTHNNNGVPA-UHFFFAOYSA-N	277.383	4.516	70	10	CJIE	
CC(C)CNCc1oc2cc3c(cc2c1C(C)C)CCC3	161303129	PSDAULZLFBVPTC-UHFFFAOYSA-N	285.431	4.791	70	10	CJIE	
CCCN[C@H](Cc1cc(F)ccc1F)[C@H]1CCC[C@@H](C)C1	218014153	UKHQNGSZQSSYHQ-QWQRMKEZSA-N	295.417	4.702	70	10	CJIE	
CCCC[C@@H](CC)CO[C@@H](c1ccsc1)[C@@H](N)CC	218269942	YIAKYTMVKUUQEU-KBMXLJTQSA-N	283.481	4.760	70	10	CJIE	
CC(C)Oc1ccccc1[C@@H](C)N[C@@H]1CCCC[C@@H]1C	218482449	XSHIFECSAMQGQZ-ZMSDIMECSA-N	275.436	4.703	70	10	CJIE	
CCCN[C@@H]1CCCCC[C@@H]1O[C@@H]1C[C@@H](C)CC(C)(C)C1	218752340	CXWXKULJICFZQS-TVFCKZIOSA-N	295.511	4.919	70	10	CJIE	
CC(C)=C(CSCC[C@@H](C)C(F)F)[B-](F)(F)F	1901713147	ZSXDKXBMJGJORS-MRVPVSSYSA-N	275.115	4.734	70	10	CJIE	
C=C(CCOCCCCCCCC)[B-](F)(F)F	1978067055	GMYGYEMDINLXTF-UHFFFAOYSA-N	251.121	4.696	70	10	CJIE	
CSc1ccccc1[C@@H](O)c1cccc(CC(C)C)c1	159846272	GBMIXTKVISBSSU-SFHVURJKSA-N	286.440	4.689	70	10	CJIE	
CCOC1(c2nc(Cl)cc(CC(C)C)n2)CCCCC1	160513358	UPQMDJIQGIRVKV-UHFFFAOYSA-N	296.842	4.524	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](O)C1C(C)(C)C1(C)C	160969174	USTKLKLUWJYEKE-MRXNPFEDSA-N	268.400	4.864	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)c1cc(C)ccc1OC	161385120	UXROTABFCCRBFL-GOSISDBHSA-N	287.447	4.935	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@H](N)[C@@H](c2ccc(C(F)(F)F)cc2)C1	218539686	NEBYEZHFFOIWHB-KFWWJZLASA-N	299.380	4.963	70	10	CJIE	
CCN[C@H]1CC[C@H](C(C)(C)CC)C[C@@H]1N(C)C(CC)CC	218640651	WKWKPCUJCIZFSR-SZMVWBNQSA-N	296.543	4.690	70	10	CJIE	
Cc1ccc(OC[C@H](C)C2CCCCC2)c([B-](F)(F)F)c1	313184634	KWMBHGNPGPOLOL-ZDUSSCGKSA-N	299.165	4.645	70	10	CJIE	
CC(C)[C@@H](C)COc1ccc2cc([B-](F)(F)F)ccc2c1	2189281688	GCTOJYAYRASXLQ-LBPRGKRZSA-N	295.133	4.565	70	10	CJIE	
F[B-](F)(F)[C@]12C[C@@H]1CCN(CCCC1=CCCCC1)C2	2340998824	VVASTKNMFBTHSM-GJZGRUSLSA-N	286.170	4.580	70	10	CJIE	
CCC1CCC(c2nc(CC(C)C)c(CNC)s2)CC1	159736222	UILQQAOYRLAMIZ-UHFFFAOYSA-N	294.508	4.745	70	10	CJIE	
CC(C)NC[C@@H](CCCOc1ccccc1)C1CCCC1	159972511	BYZHFCRHXLSEDY-GOSISDBHSA-N	289.463	4.650	70	10	CJIE	
C[C@@H]1Nc2ccc(Cl)cc2O[C@@H]1c1ccc(Cl)cc1	160571599	FDNKZMIGUBXROK-VFZGTOFNSA-N	294.181	4.928	70	10	CJIE	
CO[C@]1(C(=O)c2ccc3ccccc3c2)CCC[C@@H](C)C1	161013421	ATJKIPBQZRBOMZ-AUUYWEPGSA-N	282.383	4.618	70	10	CJIE	
CCO[C@@]1(C(=O)CCCc2ccccc2)CCC[C@H](C)C1	161137352	VUFSWHZGJVDCMZ-LPHOPBHVSA-N	288.431	4.564	70	10	CJIE	
CCOC1(C(=O)c2cccc(CC)c2)CCCCCC1	161338942	UIYRBQKMXNOFPS-UHFFFAOYSA-N	274.404	4.561	70	10	CJIE	
Cc1cc(C)c(C[C@]2(O)C[C@@H](C)CC[C@H]2C(C)C)c(C)c1	217867174	AFQKTGLENYKXLP-PNHOKKKMSA-N	288.475	4.978	70	10	CJIE	
CCCN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[C@@H](C)C1	218033179	LWBSKMPWXNHRBQ-HFTRVMKXSA-N	275.436	4.562	70	10	CJIE	
CCN[C@H]1CC[C@@H](C(C)(C)CC)C[C@@H]1N(C)CC(C)(C)C	218707006	DOJODGWIVHHCLJ-IKGGRYGDSA-N	296.543	4.547	70	10	CJIE	
CCC[C@H]1CC[C@@H](CN)[C@@H](Cc2cccc(Cl)c2)C1	218757764	CISWHEJAGYWJRC-CWRNSKLLSA-N	279.855	4.674	70	10	CJIE	
CCCCCCOc1ccc2ccccc2c1[B-](F)(F)F	301314089	KTXDQGGRPQHMGF-UHFFFAOYSA-N	295.133	4.853	70	10	CJIE	
C=C(CCOc1ccc(Cl)c(CC)c1)[B-](F)(F)F	1999701411	APPOENPZVSQMEX-UHFFFAOYSA-N	277.502	4.614	70	10	CJIE	
CC(C)c1cccc(CN2CCC[C@H]([B-](F)(F)F)C2)c1	2343752588	AEUBBHCUBSEFKG-HNNXBMFYSA-N	284.154	4.623	70	10	CJIE	
CCCC[C@@H](Br)CCCc1ccccc1	148312536	KFTCSJADUZJTSO-CQSZACIVSA-N	269.226	4.963	70	10	CJIE	
CCN[C@@H](Cc1ccc(Cl)s1)c1c(C)oc(C)c1C	160825966	VQILLJDQNFJNPG-ZDUSSCGKSA-N	297.851	4.813	70	10	CJIE	
Cc1ccc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1N(C)C	161181264	VZPZKCOEJTVZNP-BRWVUGGUSA-N	286.463	4.832	70	10	CJIE	
CCC[C@H]1CC[C@H](NC)[C@@H](Cc2ccc(CC)cc2)C1	217701070	WZGCRNULAMTPSH-UHOSZYNNSA-N	273.464	4.596	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)C)C[C@@H]1Cc1ccc(C)c(C)c1	217789422	WHFASUGGRVCVAF-CEXWTWQISA-N	273.464	4.506	70	10	CJIE	
CO[C@H]1CCCC[C@@H]1N[C@H](c1cccs1)C1CCCC1	218260856	FURHSULYBRKTAY-ZOBUZTSGSA-N	293.476	4.527	70	10	CJIE	
CC1(C)CCC[C@H](CN2CC[C@H]3C[C@]3([B-](F)(F)F)C2)C1	2138382930	HAJTXTRHBVTNAY-YDHLFZDLSA-N	288.186	4.516	70	10	CJIE	
C=C(CCOC[C@@H]1C[C@H]2CCC[C@H]1CC2)[B-](F)(F)F	2316864451	DHAZAGPKNRCCQA-IHRRRGAJSA-N	275.143	4.552	70	10	CJIE	
CC(C)=C(CN(C)[C@H]1C[C@@H]2CCCC[C@@H]2C1)[B-](F)(F)F	2340144968	XDIUVGPOPWDOTG-BTTYYORXSA-N	288.186	4.610	70	10	CJIE	
CCSCC[C@@H](C)N[C@H](C)c1cc2c(s1)CCCC2	160042528	VPPCXULFYGETBX-CHWSQXEVSA-N	297.533	4.809	70	10	CJIE	
CCOC1(C(=O)c2ccc3ccccc3c2)CCCCC1	160808921	BIAJGASITMKFCU-UHFFFAOYSA-N	282.383	4.762	70	10	CJIE	
CCN[C@@H](Cc1ccc(Cl)s1)c1ccc(C)cc1C	160941160	XDZVOWCQBOVCOT-HNNXBMFYSA-N	293.863	4.912	70	10	CJIE	
Cc1ccc(NCC[C@@H](C)c2ccccc2)cc1N(C)C	161170905	BTSNYVCSGCZYCQ-OAHLLOKOSA-N	282.431	4.667	70	10	CJIE	
CN[C@H](Cc1ccc(C(C)(C)C)cc1)C1C(C)(C)C1(C)C	161276428	SVLUELGKIHSRQB-MRXNPFEDSA-N	287.491	4.797	70	10	CJIE	
CCN[C@@H]1CC[C@H](C(C)(C)CC)C[C@@H]1N(CC)CC(C)C	218627385	QJZVSLMMWDHRET-KSZLIROESA-N	296.543	4.547	70	10	CJIE	
CCCN[C@H]1CC[C@@H](CCC)C[C@@H]1N(C)[C@@H](C)CC(C)C	218694530	HUSPOLCZJAIRBX-RDGPPVDQSA-N	296.543	4.690	70	10	CJIE	
CCCCN([C@@H](C)[C@@H](N)c1ccc(CC)cc1)[C@H](C)CC	218697391	IOSPSBJSEYTOMC-JTDSTZFVSA-N	290.495	4.538	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1c1cccc(Cl)c1Br	1885274167	JHJMUKZWVXSMHK-RNFRBKRXSA-N	298.318	4.807	70	10	CJIE	
CC(C)NC[C@@H]1CCCC[C@@H]1[C@@H]1C[C@@H]1c1ccccc1	159665859	PQDGGCPDGXINRY-OKYOBFRVSA-N	271.448	4.595	70	10	CJIE	
CNc1nc(-c2cccc(C)c2Cl)nc2c(C)cccc12	160476068	QGGXXGJBCBSQDC-UHFFFAOYSA-N	297.789	4.609	70	10	CJIE	
CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NCc1cc(Cl)ccc1F	160832128	XPSRUMYEKZWRRH-XGWLTEMNSA-N	295.829	4.784	70	10	CJIE	
CCCc1ccc2oc(CNC(C)C)c(C3CC3)c2c1	161454999	LVELNTDIUFKIST-UHFFFAOYSA-N	271.404	4.761	70	10	CJIE	
CNc1ccc(-c2ccc(Cl)c(Cl)c2)cc1	217688773	CJLOYPPFJCYLOM-UHFFFAOYSA-N	252.144	4.702	70	10	CJIE	
CCCN[C@H](c1ccc(OC)c(F)c1)[C@@H]1CCC[C@@H](C)C1	218026408	QGNYDDQTNNVXHX-LBTNJELSSA-N	293.426	4.701	70	10	CJIE	
C=C(CSCc1ccc(Cl)cc1)[B-](F)(F)F	236129717	NOGZCXCHMFWKBL-UHFFFAOYSA-N	265.516	4.516	70	10	CJIE	
CC1(C)CCC(CN2CCC[C@@H]([B-](F)(F)F)C2)CC1	2070265078	UWRZRNAZPWYNRY-CYBMUJFWSA-N	276.175	4.516	70	10	CJIE	
Cc1cc(O[C@@H]2CCCC(C)(C)C2)c(C)c([B-](F)(F)F)c1	2163851664	NTNISMXTPXAZFC-CYBMUJFWSA-N	299.165	4.705	70	10	CJIE	
CCCC[C@@H](CC)CN1CCC([B-](F)(F)F)CC1	2216956943	QVXNKIPSRDRUQC-GFCCVEGCSA-N	264.164	4.516	70	10	CJIE	
CCCNc1cc(Oc2ccc(C(C)(C)C)cc2)ccn1	159371867	CHXDSGDICWJONC-UHFFFAOYSA-N	284.403	4.993	70	10	CJIE	
CCCc1cccc([C@@H](O)C2C3CC4CC(C3)CC2C4)c1	159802886	IPAXPGVZGRKSFE-DQBYHPFJSA-N	284.443	4.745	70	10	CJIE	
COc1cc(N[C@H](c2cccs2)C(C)C)ccc1F	160128448	XJPHLMLGHUCORN-HNNXBMFYSA-N	279.380	4.705	70	10	CJIE	
CC(C)C1CCC(N[C@H]2CCC[C@@H](C)[C@@H]2C)CC1	218076048	HVEMVVKBFVDULF-CWHQUEMWSA-N	251.458	4.616	70	10	CJIE	
CCC[C@@H]1CC[C@H](N)[C@@H](c2ccc(C(F)(F)F)cc2)C1	218479335	PEXSPSNEVMMWAI-DFBGVHRSSA-N	285.353	4.717	70	10	CJIE	
CN[C@H]1CCCCCCCCCC[C@@H]1N1CCC[C@@H](C)C1	218594440	XFKLOWCWTBBFNH-QYZOEREBSA-N	294.527	4.590	70	10	CJIE	
Cc1ccc(C)c(C[C@@H](CNCC(C)C)C2CCCC2)c1	160020010	AQDNFZLZHIXFSA-FQEVSTJZSA-N	287.491	4.898	70	10	CJIE	
CCc1ccc([C@H](Cc2ccc(F)cc2Cl)NC)s1	160574209	KQDOYWCTVXBDEA-AWEZNQCLSA-N	297.826	4.606	70	10	CJIE	
CCN[C@H](Cc1cccc(OC)c1)C[C@@H](C)CC(C)(C)C	160644263	VWTTVDPXEGGCET-WBVHZDCISA-N	291.479	4.678	70	10	CJIE	
C[C@H]1CCC[C@@H](NCCSCc2ccc(Cl)cc2)C1	160971515	QMPLYFSPLQGPHJ-XJKSGUPXSA-N	297.895	4.742	70	10	CJIE	
CCOC1(C(=O)c2cc(C)c(C)cc2C)CCC(C)CC1	160990313	ILVVBEFXQAZJLQ-UHFFFAOYSA-N	288.431	4.780	70	10	CJIE	
CCN[C@@H](CC1CCCCC1)c1cccc(C)c1C	160996690	VKQYLGIDMBLNPS-SFHVURJKSA-N	259.437	4.924	70	10	CJIE	
c1cc2cc(N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)ccc2[nH]1	217932777	UJSGWQDGKKYMEX-OFQRWUPVSA-N	268.404	4.939	70	10	CJIE	
CCCCN([C@@H](C(C)C)[C@@H](N)c1ccccc1)[C@H](C)CC	218698705	GRUYVAKAMAYERA-NEWSRXKRSA-N	290.495	4.612	70	10	CJIE	
CC(C)(C)NC[C@H](C1CCCC1)[C@@H]1C[C@@H]1c1ccccc1	159493713	UASQMVWUJXTWLB-GUDVDZBRSA-N	285.475	4.985	70	10	CJIE	
CCc1ccsc1[C@@H](Cc1ccc(F)cc1Cl)NC	160564266	BYGKVSBZCUSWBW-CQSZACIVSA-N	297.826	4.606	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCCNc1cccc(F)c1	217894714	LKPZCQXKXHKWNV-WBAXXEDZSA-N	293.426	4.715	70	10	CJIE	
Fc1cc(Cl)ccc1N[C@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217932717	YGPBBPQGSCFNBW-NDPRJGJWSA-N	279.786	4.716	70	10	CJIE	
F[B-](F)(F)C1CCN(C[C@H]2C[C@H]2C2CCCCC2)CC1	2231065925	OGYBFNDGAMPSPY-HIFRSBDPSA-N	288.186	4.516	70	10	CJIE	
F[B-](F)(F)C1CCN(C[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	2338920711	KVYOCVKEXGVTQD-IHRRRGAJSA-N	288.186	4.516	70	10	CJIE	
CC(C)=C(CN(C)[C@H](C)c1ccccc1F)[B-](F)(F)F	2340161860	NHCFYWCOHYVBLM-LLVKDONJSA-N	288.117	4.542	70	10	CJIE	
CC(C)(C)c1ccccc1[C@H](O)[C@H]1C[C@@H]1c1ccccc1	160051352	SORNJMXVPRDHJO-AOIWGVFYSA-N	280.411	4.821	70	10	CJIE	
Cc1ccc(-c2c(-c3cccc(C)c3Cl)n[nH]c2N)cc1	160349974	KPPAXXKWEFACJH-UHFFFAOYSA-N	297.789	4.596	70	10	CJIE	
CCC(CC)C[C@@H](O)c1ccc(Cl)c2cccnc12	160425866	BOYAPXAKXXHQPZ-OAHLLOKOSA-N	277.795	4.748	70	10	CJIE	
CC(C)CNCc1oc2ccc(F)cc2c1C(C)(C)C	161159208	QYAQVUWGLCHTSY-UHFFFAOYSA-N	277.383	4.615	70	10	CJIE	
CCNCc1oc2c(C)c(C)cc(C)c2c1CC(C)C	161208736	SDTCDMGMWPKNRF-UHFFFAOYSA-N	273.420	4.666	70	10	CJIE	
CCCOc1ccc([C@H](CC2=CCCCC2)NC)cc1	161278968	KDILYZYMNLXVIZ-SFHVURJKSA-N	273.420	4.626	70	10	CJIE	
C[C@H](NCCCC1CC1)c1cccc2ccccc12	161466529	JUINXRGRKFKEQA-AWEZNQCLSA-N	253.389	4.681	70	10	CJIE	
C[C@H](CCN[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)c1ccccc1	217574009	FFCNMLLQBIKPHH-YJKDXWGCSA-N	283.459	4.595	70	10	CJIE	
C[C@H](O)c1ccc(SC/C=C\c2ccccc2)cc1	217717122	KFJSBCFZPKJAFV-PODYEWJSSA-N	270.397	4.545	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(N(C)C)cc1	217903256	CADBIXBEDYAEIH-OLMNPRSZSA-N	274.452	4.625	70	10	CJIE	
Cc1ccc([C@@H](C)N[C@H]2C[C@@H](C)CC(C)(C)C2)s1	218142020	ZVPRMUITKQGVAA-BNOWGMLFSA-N	265.466	4.922	70	10	CJIE	
CCC1CCC(CN2CCC[C@H]([B-](F)(F)F)C2)CC1	2072872399	BCUGCKBXAUXTNQ-RUXDESIVSA-N	276.175	4.516	70	10	CJIE	
CC(C)=C(COC1C2CC3CC(C2)CC1C3)[B-](F)(F)F	2340162045	MHHFNXUFQQAMRV-UHFFFAOYSA-N	287.154	4.551	70	10	CJIE	
CC(C)(C)NC[C@](C)(C1CC1)[C@@H]1C[C@@H]1c1ccccc1	159484677	CPIZINNIDAYHKO-ZHALLVOQSA-N	271.448	4.595	70	10	CJIE	
CCc1ccc([C@H](NC)c2cc3ccc(F)cc3s2)cc1	161139826	VWKJETYBOQNVOF-SFHVURJKSA-N	299.414	4.912	70	10	CJIE	
CN[C@@H](Cc1ccc(C)cc1)c1cc2ccc(F)cc2s1	161176080	GIBCEOHEQKPFFH-INIZCTEOSA-N	299.414	4.852	70	10	CJIE	
CN[C@@H](c1ccccc1C(F)(F)F)[C@@H]1CCC[C@@H](C)C1	217960077	SQLYWLWIJIWHJP-LALPHHSUSA-N	285.353	4.792	70	10	CJIE	
C[C@@H](N[C@H]1CCCc2sccc21)[C@@H]1C[C@@H]2CC[C@@H]1C2	218068977	LLLBYPDTPMTAIT-UVQHHTHUSA-N	275.461	4.540	70	10	CJIE	
CC[C@H](C)[C@@H](c1ccccc1)[C@@H](O)c1ccc(C)cc1	218123320	ZQOQFYOEGWKQAT-SNRMKQJTSA-N	268.400	4.858	70	10	CJIE	
CCNC[C@@H](O[C@@H]1CCCC[C@@H]1CC)c1ccc(C)cc1	218745965	HZOCNWQRINXEOJ-QXAKKESOSA-N	289.463	4.631	70	10	CJIE	
CCCNC[C@]1(O[C@@H]2CCC[C@@H](C)C2)CCC[C@H](C)C1	218761901	JPJGULIGZUXMOS-XDNAFOTISA-N	281.484	4.530	70	10	CJIE	
CCCCCCCCCCCC=CS(=O)(=O)Cl	1951486633	JOBKPKPVLJASEP-UHFFFAOYSA-N	280.861	4.990	70	10	CJIE	
CCCNc1cc(Oc2cc(C)c(Cl)c(C)c2)ccn1	159378314	GTCLDYXYDYROCF-UHFFFAOYSA-N	290.794	4.966	70	10	CJIE	
CCCNCC1([C@@H]2C[C@H]2c2ccccc2)CCCCC1	159408866	YFBZXHBCJAXNFN-ZWKOTPCHSA-N	271.448	4.740	70	10	CJIE	
N[C@H](c1csc2ccccc12)C1C2CC3CC(C2)CC1C3	160128418	JWFVFBZMVACKOM-NPPFAYQHSA-N	297.467	4.973	70	10	CJIE	
O[C@H](c1cccc(C2CCC2)c1)c1cc2c(s1)CCC2	160161311	XIFYHRYZRDCCAE-GOSISDBHSA-N	284.424	4.586	70	10	CJIE	
CCN[C@H](Cc1ccc(Cl)cc1Cl)c1coc(C)c1	160492875	ODNCRXCJFDATAG-OAHLLOKOSA-N	298.213	4.788	70	10	CJIE	
CCCN[C@H](CCc1ccsc1)CC1=CCCCC1	161431340	WPCDGBZANWQXRS-QGZVFWFLSA-N	277.477	4.939	70	10	CJIE	
CCO[C@H](C(=O)c1ccc(C(C)C)cc1)C1CCCCC1	161488905	JXZXBDDNJZVMED-IBGZPJMESA-N	288.431	4.978	70	10	CJIE	
O=C(CC1CCCCC1)N1CCCC[C@@H](c2ccccc2)C1	217287309	UVWWMEBWCNLDQL-LJQANCHMSA-N	299.458	4.753	70	10	CJIE	
CCC[C@H]1CC[C@H](N)[C@@H](Cc2cccc3ccccc23)C1	217690355	USQANKFVVGSQLT-CVAIRZPRSA-N	281.443	4.926	70	10	CJIE	
CC(C)c1ccc(C[C@H](N)[C@@H]2CCC[C@@H](C)C2)cc1	217951603	WVEIXFXDKYOYQF-OLMNPRSZSA-N	259.437	4.506	70	10	CJIE	
C[C@H]1CCC[C@H](C)C1N[C@H](C)Cc1ccccc1Cl	218020631	QKMZWAUKSPWNPA-MELADBBJSA-N	279.855	4.685	70	10	CJIE	
CCCN[C@@H](Cc1cccc(F)c1F)[C@H]1CCC[C@@H](C)C1	218021649	HKGRBSXXGGTWBD-KEYYUXOJSA-N	295.417	4.702	70	10	CJIE	
CC1CCC(CN[C@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1	218207716	BIPRQLICJSXINX-YKFHYGQGSA-N	265.485	4.863	70	10	CJIE	
Cc1ccc(C)c([C@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)c1	218555511	BAOIOGNUVIKJRU-UWWQBHOKSA-N	290.447	4.568	70	10	CJIE	
CCCN[C@H]1CC[C@H](CCC)C[C@@H]1N(CC(C)C)C(C)C	218696622	CIOQXVNWFJUEGK-FHWLQOOXSA-N	296.543	4.690	70	10	CJIE	
CCN[C@H]1CC[C@@H](C(C)(C)CC)C[C@@H]1Oc1ccccc1	218776167	IVIIVGUOIGUTJB-NJAFHUGGSA-N	289.463	4.648	70	10	CJIE	
C=C(COC[C@@H]1C[C@H]1C1CCCCCC1)[B-](F)(F)F	2080288054	KEIAUGSSRLWPLZ-KBPBESRZSA-N	275.143	4.552	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(OCC2CC(C(C)(C)C)C2)c1	2161216105	IKGZRVYBEPQPOP-UHFFFAOYSA-N	299.165	4.501	70	10	CJIE	
Cc1cc([C@@H](O)c2c(C)ccc3ccccc23)ccc1F	160982037	ARSNGPXOKDBXKI-LJQANCHMSA-N	280.342	4.677	70	10	CJIE	
Cc1ccc(C(C)(C)C)c2oc(CN)c(C(C)C)c12	161193138	KVGCXFPFXGGLDB-UHFFFAOYSA-N	259.393	4.621	70	10	CJIE	
CCC1([C@H](N)Cc2ccc(C(C)(C)C)cc2)CCCC1	161277680	XELCOQQUZGZULY-QGZVFWFLSA-N	273.464	4.824	70	10	CJIE	
C[C@@H]1C[C@H]1[C@H](N)c1ccc2c(c1)C(C)(C)CCC2(C)C	161483976	QHADPRVKVANZAR-SUYBPPKGSA-N	271.448	4.691	70	10	CJIE	
CC(C)Oc1ccc([C@@]2(O)C[C@@H](C)CC[C@@H]2C(C)C)cc1	217863853	RMFATTUNDVVTEL-IPELMVKDSA-N	290.447	4.754	70	10	CJIE	
C[C@@H]1CCC[C@@H](Cc2ccc3c(c2)CC[C@@H](C)N3)C1	218376196	OLBQWKPVXNJOQX-RBSFLKMASA-N	257.421	4.802	70	10	CJIE	
CCCc1ccc([C@H](N)C2C3CC4CC(C3)CC2C4)cc1	160124988	CJKWHSFRFAIRCE-VMALJAOGSA-N	283.459	4.711	70	10	CJIE	
CC(C)CNCC1(C[C@H]2CCC(C)(C)O2)CCCCC1	160898279	JVFPEHJYLRSIGE-MRXNPFEDSA-N	281.484	4.530	70	10	CJIE	
CCOC1(C(=O)c2ccccc2C)CCC(C)(C)CC1	161254693	FIZCNBRTBVWCMN-UHFFFAOYSA-N	274.404	4.553	70	10	CJIE	
CC[C@@H]1CC[C@H](NC)[C@@H](Cc2ccc(C(C)C)cc2)C1	217646695	KQAVVCPTTIEVPJ-LZQZEXGQSA-N	273.464	4.767	70	10	CJIE	
CC[C@@H]1CC[C@@H](CN)[C@@H](C[C@@H]2CSc3ccccc32)C1	218703244	AVZRPUICUKDQGV-QKPAOTATSA-N	289.488	4.667	70	10	CJIE	
CC(C)=C(CSCC1=CCCCC1)[B-](F)(F)F	1901702621	RTYRTIAZAOLHIW-UHFFFAOYSA-N	263.157	4.943	70	10	CJIE	
Cc1cc(OCC[C@H]2CCC[C@@H](C)C2)ccc1[B-](F)(F)F	2279818620	XWVLDDRBDQCBQS-TZMCWYRMSA-N	299.165	4.645	70	10	CJIE	
CCCN[C@H](C)c1cc(F)ccc1N1CC[C@H](CCC)C1	160391678	OVAKHTXMKZFRST-CABCVRRESA-N	292.442	4.513	70	10	CJIE	
CN[C@@H](Cc1ccc(F)cc1Cl)c1c(C)oc(C)c1C	160589825	RVCIDTMGFBKNHV-HNNXBMFYSA-N	295.785	4.501	70	10	CJIE	
CCOc1cc(F)ccc1N[C@H]1CCc2ccc(C)cc21	160796904	XZHBVBBHEZIDGD-INIZCTEOSA-N	285.362	4.632	70	10	CJIE	
c1ccc(C[C@@H](NCCCC2CC2)c2ccccc2)cc1	161377246	UOMIOAMGOPPYTB-HXUWFJFHSA-N	279.427	4.750	70	10	CJIE	
CCCc1ccc(C(=O)[C@@H](OCC)C2CCCCC2)cc1	161461722	DBRLAASMWMKHKV-IBGZPJMESA-N	288.431	4.807	70	10	CJIE	
COc1ccc(Cl)cc1[C@@]1(N)C[C@@H](C)CC[C@@H]1C(C)C	217883916	GRKQXXBSKHJZKW-DXCKQFNASA-N	295.854	4.595	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCCNc1ccc(F)cc1	217899165	PAXQKSFSLBTPBT-JLSDUUJJSA-N	293.426	4.715	70	10	CJIE	
Cc1cccc(CC[C@@H](C)N[C@H]2CCC[C@@H](C)[C@@H]2C)c1	218074519	SEHXJGSZUZHSRL-VXNCWWDNSA-N	273.464	4.730	70	10	CJIE	
CCCCC[C@@H](NCCC)C1(OC)CCCCCC1	159905685	QNOGTKXZEIOOHE-MRXNPFEDSA-N	269.473	4.674	70	10	CJIE	
CCN[C@H](Cc1ccc(Cl)s1)c1ccc(C)cc1F	160915940	GTTGXEQNNUFJEY-CQSZACIVSA-N	297.826	4.742	70	10	CJIE	
C[C@@H](NCc1cc(F)cc(Cl)c1)C1CCCCCC1	160968231	ALUNGHYLUZSVOD-GFCCVEGCSA-N	283.818	4.928	70	10	CJIE	
CCC[C@@H]1CC[C@H](NCC)[C@@H](Cc2ccccc2F)C1	217723542	VZFMEHCSJCJXAN-KYJSFNMBSA-N	277.427	4.563	70	10	CJIE	
Cc1ccc(F)cc1N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218072126	VXQKSWJDAMTEDV-ISTRZQFTSA-N	261.384	4.761	70	10	CJIE	
C=C(CCOC[C@H]1C[C@H]1C1CCCCC1)[B-](F)(F)F	2079949371	UNBBYBQQMAODDN-KGLIPLIRSA-N	275.143	4.552	70	10	CJIE	
Cc1sc([C@H]2C[C@@H]2[B-](F)(F)F)c(Br)c1C	2209916086	VTJRSDYYAGLCSW-BQBZGAKWSA-N	297.956	4.832	70	10	CJIE	
C[C@@H]1C[C@@H]1CCCCCN1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2269442899	OEWKOSLJVXOLAH-CBBWQLFWSA-N	288.186	4.516	70	10	CJIE	
CCSCC[C@H](C)N[C@H](C)c1c(C)cc(C)cc1C	159977110	GFOOFLPPBQZVCM-JKSUJKDBSA-N	279.493	4.794	70	10	CJIE	
Cc1ccc(C)c([C@@H](N)c2c(C)ccc3ccccc23)c1	160861966	YXICGRQVNBAHBW-HXUWFJFHSA-N	275.395	4.813	70	10	CJIE	
O=C(CC1=CCCCC1)c1cccc2ccccc12	161020760	AMFCUJFUUYKFRC-UHFFFAOYSA-N	250.341	4.913	70	10	CJIE	
O=C(c1ccc2c(c1)CCC2)c1cc2cc(Cl)ccc2o1	161062034	WTNNYHNHRLIWIU-UHFFFAOYSA-N	296.753	4.806	70	10	CJIE	
CN[C@H](CC1=CCCCC1)Cc1ccc(F)cc1Cl	161249688	HVDCHTZBYYWSDR-OAHLLOKOSA-N	281.802	4.500	70	10	CJIE	
CCCN[C@@H](C1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCCCS1	161448696	JQFUKVKCEGNJNI-ALILYOIUSA-N	283.525	4.713	70	10	CJIE	
CC(C)[C@@H](N)c1ccc2c(c1)C(C)(C)CCC2(C)C	161479164	QYQGPRNOZSGYNV-MRXNPFEDSA-N	259.437	4.691	70	10	CJIE	
CCC[C@@H]1CC[C@H](N)[C@@H](c2cccc3ccccc23)C1	218456592	QFFHUURSYNUJKK-ZMYBRWDISA-N	267.416	4.851	70	10	CJIE	
Cc1cc(C)c(C23CC([B-](F)(F)F)(C2)C3)cc1C	1887484444	MRPYWAPNXGIXPF-UHFFFAOYSA-N	253.096	4.635	70	10	CJIE	
C[C@@H]1C[C@@H]1CCCCCN1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2269442897	OEWKOSLJVXOLAH-BARDWOONSA-N	288.186	4.516	70	10	CJIE	
F[B-](F)(F)[C@H]1CCCN(C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2338940087	AQFCMNHOOTTXDD-XQLPTFJDSA-N	288.186	4.516	70	10	CJIE	
CC[C@H](Nc1ccc(C)c(N(C)C)c1)c1ccccc1	161191621	MKRUBGOTEMVPNI-KRWDZBQOSA-N	268.404	4.624	70	10	CJIE	
CC(C)c1ccc(C[C@H](O)[C@@H]2CCC[C@@H](C)C2)cc1	217917420	IRQJLYBOQKNEKA-OLMNPRSZSA-N	260.421	4.540	70	10	CJIE	
CCN[C@H](Cc1cc(C)cc(C)c1)[C@@H]1CCC[C@@H](C)C1	217981766	LPMQFHGHMNUDDQ-NIKGAXFTSA-N	273.464	4.650	70	10	CJIE	
CCN[C@@H](c1cc(C)cc(C)c1)[C@@H]1CCC[C@@H](C)C1	218005428	WXJYNWCWDBJIAO-MZMPZRCHSA-N	259.437	4.780	70	10	CJIE	
CCc1cccc(N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1	218074174	CPRDINDXZXGRDO-UWWQBHOKSA-N	257.421	4.876	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1N[C@@H]1C[C@@H]1c1ccccc1	218172136	KIVWOBMJDAOCGQ-SXXASDTRSA-N	271.448	4.593	70	10	CJIE	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NCc1cccc(Cl)c1)C2	218384939	PVHIRFZAWQKLAO-QRTARXTBSA-N	277.839	4.644	70	10	CJIE	
F[B-](F)(F)C1CCN(CCCCCCC2CC2)CC1	2223265084	KKDMFDUFQQMPAH-UHFFFAOYSA-N	276.175	4.660	70	10	CJIE	
CCCCN(CC(=C(C)C)[B-](F)(F)F)[C@H](C)CC	2301964016	HFGFTPARXCBXLV-GFCCVEGCSA-N	264.164	4.610	70	10	CJIE	
CNCc1sc(C2CCC(C(C)C)CC2)nc1C1CC1	159412267	OUVZCISZYLJENO-UHFFFAOYSA-N	292.492	4.670	70	10	CJIE	
CCNCc1sc([C@@H]2CC[C@H](CC)C2)nc1CC(C)C	159787386	AHWYVRBRYZYLHG-UONOGXRCSA-N	294.508	4.745	70	10	CJIE	
c1ccc2c([C@H]3CCNC[C@H]3C3CCCC3)cccc2c1	160122040	XAMYMRMPDRBKMM-UXHICEINSA-N	279.427	4.723	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](O)CCC(F)(F)F	160973547	WFQFRLVHPCYRAH-CYBMUJFWSA-N	268.278	4.524	70	10	CJIE	
O[C@@H](CC1=CCCCC1)C[C@@H]1CCCc2ccccc21	161099607	LUCYXZOKPKOGJM-ROUUACIJSA-N	270.416	4.748	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1cccc(CC)c1	161367168	RUFJCXQACOHQLX-SFHVURJKSA-N	257.421	4.790	70	10	CJIE	
CCCC[C@@H](CC)c1nc2c([nH]1)C[C@H](C(F)(F)F)CC2	216980099	FNHVZSSDPNZHIR-GHMZBOCLSA-N	288.357	4.761	70	10	CJIE	
CC(C)[C@H](N[C@@H]1C[C@@H]2CC=C[C@H]21)c1ccc(Cl)cc1	217789580	ADKNFAKVGXLXIR-SVGFKBNWSA-N	275.823	4.591	70	10	CJIE	
CCC[C@@H]1CC[C@@H](N)[C@@H](c2cccc3ccccc23)C1	218456445	QFFHUURSYNUJKK-NIKGAXFTSA-N	267.416	4.851	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](CN)[C@@H](CCSc2ccccc2)C1	218769966	QXMJYQHQDOIXSM-ULQDDVLXSA-N	291.504	4.816	70	10	CJIE	
CC(C)=C(COC[C@@H]1CC[C@@H]1C(C)(C)C)[B-](F)(F)F	2320145987	FRNUCPIQLLMYND-RYUDHWBXSA-N	277.159	4.798	70	10	CJIE	
O[C@H](c1ccc2c(c1)CCC2)c1cc2cc(Cl)ccc2o1	159363083	IWEFPTDZJTWHHR-GOSISDBHSA-N	298.769	4.657	70	10	CJIE	
Cc1oc(C)c([C@@H](O)c2cc3cc(Cl)ccc3o2)c1C	159363386	RPWOYAFYSAMQKO-INIZCTEOSA-N	290.746	4.686	70	10	CJIE	
CC(C)(C)c1ccc([C@@H](O)c2cccc3[nH]ccc23)s1	159457861	OGEYXYYOTQYBCH-INIZCTEOSA-N	285.412	4.609	70	10	CJIE	
Cc1cc(F)ccc1C[C@@H](O)c1cc2ccccc2s1	159880192	HIBQYDKKIDAUFL-OAHLLOKOSA-N	286.371	4.625	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](N)[C@@H]1C[C@@H]2CC[C@@H]1C2	160848992	PRUBGQFXKGVYMV-VWMOJTHMSA-N	265.400	4.584	70	10	CJIE	
CCc1ccsc1[C@@H](N)c1c(C)ccc2ccccc12	160869981	VQCRGWYQIXGZTQ-KRWDZBQOSA-N	281.424	4.820	70	10	CJIE	
CO[C@@]1(C(=O)Cc2ccc(C(C)C)cc2)CCC[C@H](C)C1	161070903	QWUKIPYPYMPXBX-KXBFYZLASA-N	288.431	4.517	70	10	CJIE	
CC(C)(C)c1ccc([C@@H](N)CC2=CCCCC2)cc1	161179216	XVIBUIYYTBOASI-KRWDZBQOSA-N	257.421	4.874	70	10	CJIE	
C[C@H](N[C@@H]1C[C@@H]2CC=C[C@H]21)c1ccc(C(C)(C)C)cc1	218038667	KTUUUGDIJOGAKF-OXXUSNJHSA-N	269.432	4.599	70	10	CJIE	
CC[C@H](N)[C@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccsc1	218264378	AEZHGPQEMQCJJO-DMRZNYOFSA-N	295.492	4.758	70	10	CJIE	
CC(C)CCCOc1ccc2cc([B-](F)(F)F)ccc2c1	379768872	NSTHTXVSRBEYJH-UHFFFAOYSA-N	295.133	4.709	70	10	CJIE	
Cc1cc(O[C@H]2CCCC(C)(C)C2)c(C)c([B-](F)(F)F)c1	2163851665	NTNISMXTPXAZFC-ZDUSSCGKSA-N	299.165	4.705	70	10	CJIE	
CCCN[C@@H](CCC)C1(OCC)CCC(C)(C)CC1	159900132	RQMACIHXCOFZNG-HNNXBMFYSA-N	269.473	4.530	70	10	CJIE	
CNCC1(C[C@H]2CCC(C)(C)O2)CCC(C(C)(C)C)CC1	160904027	VWUJJSCRWWIBJV-KOHRHEQBSA-N	295.511	4.776	70	10	CJIE	
Cc1nc2ccc(NCc3coc4ccccc34)cc2s1	161073661	CDFQZYUUOCSRBJ-UHFFFAOYSA-N	294.379	4.963	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1ccc(F)c(C)c1	161358221	RGJBEWQYDSRDIU-KRWDZBQOSA-N	261.384	4.675	70	10	CJIE	
Cc1cccc(C(C)C)c1NC(=O)Nc1cccs1	217305720	SQOKGPCTHNRWOB-UHFFFAOYSA-N	274.389	4.824	70	10	CJIE	
CC1(C)[C@H]2CC[C@]1(C)[C@H](N[C@H](c1ccccc1)C1CC1)C2	218144536	PMEGFAZXRSUUHA-JRBPQWBISA-N	283.459	4.942	70	10	CJIE	
CCCCCN(C(C)C)[C@H](C)[C@@H](NC)c1ccc(C)cc1	218690716	LIHSUDAKHZXGJQ-IEBWSBKVSA-N	290.495	4.545	70	10	CJIE	
CCC(CC)COc1ccc2ccccc2c1[B-](F)(F)F	305435838	SSPGNJVECQMTRB-UHFFFAOYSA-N	295.133	4.709	70	10	CJIE	
CC(C)=C(COCC1CCCCCC1)[B-](F)(F)F	2301863738	GUWUULNVYQPBQF-UHFFFAOYSA-N	263.132	4.696	70	10	CJIE	
CCc1ccc([C@H](O)c2cccc(C)c2Cl)cc1CC	160425626	YNUQMWJRPONZQD-SFHVURJKSA-N	288.818	4.855	70	10	CJIE	
Cc1ccc([C@@H](C)N[C@@H]2CCc3ccc(C)cc32)c(C)c1	160807458	JXODCDGMYRGPDW-OXQOHEQNSA-N	279.427	4.950	70	10	CJIE	
CN[C@H](c1c(C)ccc2ccccc12)C1CCCCC1	160900359	BHYFSOCQZWQCPI-IBGZPJMESA-N	267.416	4.989	70	10	CJIE	
Cc1ccc(C)c([C@H](N)c2cc3ccc(F)cc3s2)c1	161132953	WDKYPSPEDPVDMT-KRWDZBQOSA-N	285.387	4.705	70	10	CJIE	
CN[C@@H](Cc1ccc(C(C)(C)C)cc1)C1(C)CCCC1	161298925	JYIFVJIECCREGS-KRWDZBQOSA-N	273.464	4.695	70	10	CJIE	
c1ccc(-c2csc(CNCCCC3CC3)c2)cc1	161427911	KNFUPFYJLYNJTO-UHFFFAOYSA-N	271.429	4.695	70	10	CJIE	
CCCN[C@@H]1CC[C@@H](CCC)C[C@@H]1n1ccnc1C(C)C	216785361	BJLDXTNAWXWDKY-ZACQAIPSSA-N	291.483	4.516	70	10	CJIE	
CC[C@@H](C)c1ccccc1NC(=O)NCc1ccc(C)cc1	217315213	KRJSCQMKYFXPDT-OAHLLOKOSA-N	296.414	4.830	70	10	CJIE	
CCCNCC(CC)(CC)[C@H]1C[C@H]1c1ccccc1	159424889	NCKDSCWGUJJEHF-IRXDYDNUSA-N	259.437	4.596	70	10	CJIE	
COc1cc(N[C@@H](C)c2c(C)cc(C)cc2C)ccc1F	159993751	CSGJLZLOFWAJAC-AWEZNQCLSA-N	287.378	4.933	70	10	CJIE	
CCCN[C@H](CC1CCCCC1)c1sccc1OC	161016836	YIKIXWPPUYFTTM-CQSZACIVSA-N	281.465	4.768	70	10	CJIE	
CN(C)c1cccc(N[C@H]2CCc3cc(Cl)ccc32)c1	161120106	PHFXLGZVYLWQSU-KRWDZBQOSA-N	286.806	4.505	70	10	CJIE	
CCC(CC)[C@@H](Cc1ccc(C(C)(C)C)cc1)NC	161280320	CPYZCGCUNOQWRG-QGZVFWFLSA-N	261.453	4.551	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)Cc1cccc(F)c1Cl	161339263	SHDVLWIGRGVUDD-HNNXBMFYSA-N	295.829	4.890	70	10	CJIE	
CC[C@H]1CCCC[C@H]1N[C@H](CC)c1cccs1	217846502	SPQIGDCJKTYYKH-BFHYXJOUSA-N	251.439	4.758	70	10	CJIE	
C[C@@H]1CC[C@@H](C(C)(C)c2cc(F)ccc2Cl)[C@@H](O)C1	218512809	IFRVIOWGTRTUAX-HCKVZZMMSA-N	284.802	4.554	70	10	CJIE	
CC(C)Cc1ccc(CCCCCBr)cc1	145403943	HFXPMJHLUFCLFS-UHFFFAOYSA-N	283.253	4.993	70	10	CJIE	
O[C@H](c1cc2ccccc2s1)[C@H]1C[C@H]1c1ccccc1	160047312	KUDQWGISASUVKV-MPGHIAIKSA-N	280.392	4.738	70	10	CJIE	
C[C@H]1CCCC[C@H]1NCCSCc1ccc(Cl)cc1	160970854	QHHNTYRTOVLQPO-XJKSGUPXSA-N	297.895	4.742	70	10	CJIE	
CCN[C@H](Cc1ccc(C(C)(C)C)cc1)[C@@H](C)C1CC1	161262047	YVOOPVHQWGNAMR-KBXCAEBGSA-N	273.464	4.551	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1Cc1ccc(Cl)cc1	217759054	LEIBYXQNELZNSG-YQQAZPJKSA-N	293.882	4.933	70	10	CJIE	
Cc1ccccc1C[C@@H](C)N[C@@H]1C[C@@H](C)CC(C)(C)C1	218102068	QSSYOKOFMTWWTI-QGPMSJSTSA-N	273.464	4.730	70	10	CJIE	
CCCCCC[C@H](C)O[C@@H](c1cccc(F)c1)[C@@H](N)CC	218257050	IOAHMEFWPIXXBH-WBAXXEDZSA-N	295.442	4.980	70	10	CJIE	
CCCC[C@@H](CC)CO[C@@H](C)[C@@H](O)c1ccc(C)cc1	218558120	CHBNEBXNHAKSBW-LZLYRXPVSA-N	278.436	4.650	70	10	CJIE	
Cc1c(CO[C@H]2CCCC(C)(C)C2)cccc1[B-](F)(F)F	2283585863	WKMMNXVXPHCYAS-AWEZNQCLSA-N	299.165	4.535	70	10	CJIE	
C=C(C[C@@H](Br)C(C)C)c1ccccc1	78202483	MMAJOBDSYQXYTH-CYBMUJFWSA-N	253.183	4.509	70	10	CJIE	
CNCc1sc(-c2cccc3ccccc23)nc1C1CC1	159418240	WBNADNNSCPOVDB-UHFFFAOYSA-N	294.423	4.560	70	10	CJIE	
CCCCC[C@H](NCCC)c1ccc(OC(F)F)cc1	159573974	UNZJKYHATOUIEK-HNNXBMFYSA-N	285.378	4.909	70	10	CJIE	
CCc1ccc([C@@H](NC)C2C3CC4CC(C3)CC2C4)cc1	160133432	CBWDEWJQTXCQIY-DQBYHPFJSA-N	283.459	4.582	70	10	CJIE	
CCN[C@@H](c1ccc(CC)cc1)c1cccc(C)c1Cl	160298167	NOZYWJRKSYQFFE-SFHVURJKSA-N	287.834	4.910	70	10	CJIE	
CCc1ccc([C@H]2Oc3c(Cl)cccc3N[C@@H]2C)cc1	160534715	WZMJDFBKYBFCDV-BZNIZROVSA-N	287.790	4.837	70	10	CJIE	
Cc1cc(F)ccc1Oc1nc(C(C)C)nc(Cl)c1C	160568228	UBXQZSBVWJDYGW-UHFFFAOYSA-N	294.757	4.802	70	10	CJIE	
Cc1cc(CNCc2ccc(Cl)cc2F)cc(C)c1F	160860981	PWXUNHPUYNIKGI-UHFFFAOYSA-N	295.760	4.525	70	10	CJIE	
c1cnc2ccc(NCc3coc4ccccc34)cc2c1	161101463	OUUYTQCAGPPGTL-UHFFFAOYSA-N	274.323	4.593	70	10	CJIE	
Cc1ccc(C(=O)c2cc3ccc(F)cc3s2)cc1C	161127089	FXUNCCNEZUFWIF-UHFFFAOYSA-N	284.355	4.888	70	10	CJIE	
Cc1ccc(C)c([C@@H](N)Cc2ccc(C(C)(C)C)cc2)c1	161258795	WXDFLOBWOSOUHU-IBGZPJMESA-N	281.443	4.843	70	10	CJIE	
CCCNCc1oc2c(CC)cccc2c1C(C)C	161422216	TXGUVCBCGOUWOG-UHFFFAOYSA-N	259.393	4.618	70	10	CJIE	
CC(C)(C)OC(=O)NCCCB1C2CCCC1CCC2	200544419	RTXLDJJCVGMHTL-UHFFFAOYSA-N	279.233	4.504	70	10	CJIE	
CC(C)(C)CC(C)(C)NC(=O)N/C=C/C1CCCCC1	218643405	LAXPFEVHNKINDO-VAWYXSNFSA-N	280.456	4.594	70	10	CJIE	
CC[C@H]1CCC[C@H]([C@@H]2C[C@@H](CC)CC[C@@H]2CN)C1	218662686	KHLSFYAAYZQYRU-VIQHNZTISA-N	251.458	4.604	70	10	CJIE	
CCCN[C@@H]1CC[C@H](CCC)C[C@@H]1N(CC(C)C)C(C)C	218696552	CIOQXVNWFJUEGK-OTWHNJEPSA-N	296.543	4.690	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@H]1c1cccc(Cl)c1Cl	1885275870	YDVGYWOVRKDGCO-BQBZGAKWSA-N	253.867	4.698	70	10	CJIE	
CCc1ccsc1[C@H](O)c1cccc(C2CCC2)c1	160201089	FSAPBQFRXIKQNX-MRXNPFEDSA-N	272.413	4.660	70	10	CJIE	
Cc1cccc(-c2c(-c3cccc(C)c3Cl)n[nH]c2N)c1	160349838	MHXWHABLPXXBRD-UHFFFAOYSA-N	297.789	4.596	70	10	CJIE	
N[C@@H](CC1=CCCCC1)c1cccc2ccccc12	161201366	WONQJKADGLLRQE-SFHVURJKSA-N	251.373	4.730	70	10	CJIE	
CCc1ccc(C[C@@H](C[C@@H](C)CC(C)(C)C)NC)s1	161210571	MIONUVQVZSEWND-ZIAGYGMSSA-N	281.509	4.903	70	10	CJIE	
CCCc1ccc([C@H](O)c2cc(F)cc(Cl)c2)cc1	161233228	LRBFIULLTSMGDN-INIZCTEOSA-N	278.754	4.513	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1cc(C)cc(C)c1	161359267	CIVGKMCJOGQCLA-SFHVURJKSA-N	257.421	4.845	70	10	CJIE	
CC[C@H](C)c1ccc(OCC(=O)c2cccs2)cc1	217347227	CADOTVXRUHAEJV-LBPRGKRZSA-N	274.385	4.523	70	10	CJIE	
CCC[C@H]1CC[C@H](CN)[C@@H](Cc2ccccc2Cl)C1	218735591	PCMURDAVKVVTNQ-NUEKZKHPSA-N	279.855	4.674	70	10	CJIE	
CCN[C@H]1CC[C@@H](CC)C[C@@H]1Oc1cccc(C(C)C)c1	218766494	NUPVWVCYVCIMRD-MNEFBYGVSA-N	289.463	4.746	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCCN(C[C@@H]2C[C@H]2C2CCCCC2)C1	2135678828	XERYIBHCOFTFKK-ZNMIVQPWSA-N	288.186	4.516	70	10	CJIE	
CC(C)=C(CN1CCCC[C@@H]1C1CCCC1)[B-](F)(F)F	2340148856	AFTHEVWSOMPKOT-OAHLLOKOSA-N	288.186	4.754	70	10	CJIE	
CC(C)=C(CN(C)C[C@H]1CCC[C@@H]1C(C)C)[B-](F)(F)F	2340152027	JFLVRBSJAZXFDU-ZIAGYGMSSA-N	290.202	4.714	70	10	CJIE	
C[C@@H](C[C@@H](O)c1cc2cccc(F)c2o1)C(C)(C)C	159514676	BUKHXRDWJCWWBN-GXFFZTMASA-N	264.340	4.678	70	10	CJIE	
Cc1ccccc1C[C@H](N)c1c(C)ccc2ccccc12	160867463	HQCICGOVXKZFFM-IBGZPJMESA-N	275.395	4.699	70	10	CJIE	
CC(C)[C@@H]1CCCC[C@@H]1NCc1cc(Cl)ccc1F	160874343	WEZCIDOXQXMBAB-HOCLYGCPSA-N	283.818	4.784	70	10	CJIE	
CN(C)c1cccc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1	161105299	IDHPYHWJNHFLAX-BFYDXBDKSA-N	272.436	4.523	70	10	CJIE	
CCc1ccc(C[C@H](NC)c2c(F)cccc2Cl)s1	161225683	ZEXMABUPTRWEAE-AWEZNQCLSA-N	297.826	4.606	70	10	CJIE	
CCOC1(C(=O)c2cc(F)cc(F)c2)CCC(C)(C)CC1	161244359	AEZMGKICCMVGRK-UHFFFAOYSA-N	296.357	4.523	70	10	CJIE	
COC1(C(=O)c2cc(C)c(C)cc2C)CCC(C)(C)CC1	161282775	DOKROTOODJYUHU-UHFFFAOYSA-N	288.431	4.780	70	10	CJIE	
CN[C@@H](C1=CCCCCC1)C1C2CC3CC(C2)CC1C3	160145046	OKYGOKXPWDEXQL-RUMSHHPPSA-N	273.464	4.537	70	10	CJIE	
O[C@H](c1cccc(C2CCC2)c1)[C@H]1C[C@H]1c1ccccc1	160176131	GYKVQCJMHNNFEL-SLFFLAALSA-N	278.395	4.791	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1ccc(OC)cc1C	161377527	QJNOTMVDZFLDDV-GOSISDBHSA-N	273.420	4.545	70	10	CJIE	
CCC[C@@H]1CC[C@@H](N)[C@@H](Cc2cccc(C(F)(F)F)c2)C1	217689754	LHXWHLKTCYUVOR-XNRPHZJLSA-N	299.380	4.792	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1ccc(CN(C)C)cc1	218154512	FLXBHQRFHQPWOW-IPELMVKDSA-N	288.479	4.621	70	10	CJIE	
CCC[C@@H]1CC[C@@H](O)[C@@H](Cc2cccc3ccccc23)C1	218299326	PAFIDRHMUQMCNI-XFQXTVEOSA-N	282.427	4.960	70	10	CJIE	
Cc1ccccc1[C@H](O)CO[C@H]1C[C@@H](C)CC[C@H]1C(C)C	218548444	BFQCICYGOBEXBG-WQCNXYOZSA-N	290.447	4.506	70	10	CJIE	
CC[C@@H]1CCCC[C@H]1[C@@H](NC)c1cccc(Cl)c1F	218730987	RZMDMJDGVJAMRN-XHBSWPGZSA-N	283.818	4.956	70	10	CJIE	
F[B-](F)(F)C12CC(Cc3ccccc3Cl)(C1)C2	1887484486	JCHSWVPVKMBBEQ-UHFFFAOYSA-N	259.487	4.654	70	10	CJIE	
CC(=C[B-](F)(F)F)c1ccc(C)c(Br)c1	1955804225	YCIGSSCMKKGEHR-UHFFFAOYSA-N	277.900	4.547	70	10	CJIE	
F[B-](F)(F)c1cccc(OCCCCCCCC2CC2)c1	2239359797	QZMCWUBEWILHEO-UHFFFAOYSA-N	299.165	4.870	70	10	CJIE	
CC(C)=C(CN(C)Cc1cc(C)c(C)s1)[B-](F)(F)F	2317986934	TWNKGWOIAIOIMS-UHFFFAOYSA-N	290.183	4.520	70	10	CJIE	
C[C@@]1([B-](F)(F)F)CCN(C[C@@H]2C[C@H]2C2CCCCC2)C1	2342493169	OCJKNVLTCVFSSP-SOUVJXGZSA-N	288.186	4.516	70	10	CJIE	
CCCCC[C@@H](NCCC)c1ccc(Cl)cc1OC	159609851	SDAXCSAQTNYALV-OAHLLOKOSA-N	283.843	4.970	70	10	CJIE	
CCN[C@@H](c1cc(C)oc1C)C1C2CC3CC(C2)CC1C3	160143786	SFKVZCSMPHAOMF-FHXYWRNYSA-N	287.447	4.619	70	10	CJIE	
CCO[C@@]1(c2nc(Cl)cc(C(C)C)n2)CCC[C@@H](C)C1	160381156	XPHMVUQSQHYTRB-WBMJQRKESA-N	296.842	4.695	70	10	CJIE	
CCNCc1ccc(Oc2ccc(F)cc2C)c(Cl)c1	160605673	YMMJWTSQSDFZHQ-UHFFFAOYSA-N	293.769	4.689	70	10	CJIE	
O=C(COc1cccc(Cl)c1)c1cccc2ccccc12	160886941	BTHBYSKKYRGILH-UHFFFAOYSA-N	296.753	4.755	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1N[C@@H]1CCC[C@@H](C)C1	216626006	HZFQBBGNKXUZEF-ALYAQQCSSA-N	251.458	4.616	70	10	CJIE	
CCN[C@@H](Cc1ccc(CC)s1)[C@H]1CCC[C@@H](C)C1	217987821	XBTDLPGDZFFJKI-KEYYUXOJSA-N	279.493	4.657	70	10	CJIE	
Cc1cccc(CC[C@@H](C)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1	218074367	SEHXJGSZUZHSRL-VXIBKDFQSA-N	273.464	4.730	70	10	CJIE	
COc1ccc(N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1C	218143464	ZREDWAUSBHCXPK-FDQGKXFDSA-N	273.420	4.630	70	10	CJIE	
CCN[C@H]1CC[C@@H](C(C)(C)CC)C[C@@H]1N(CC)[C@@H](C)CC	218630351	YAEMKCZIKOFYEB-MHORFTMASA-N	296.543	4.690	70	10	CJIE	
CCN[C@@H]1CC[C@@H](CC)C[C@@H]1Oc1ccc(C(C)C)cc1	218766029	OMQPQDZSBSPDQJ-LZQZEXGQSA-N	289.463	4.746	70	10	CJIE	
CC(C)(C)NC[C@@H](CCC[C@H]1CCCO1)C1CCCC1	160006319	RBVVJMQSEVWSHT-SJORKVTESA-N	281.484	4.530	70	10	CJIE	
CNCc1csc(-c2c(C)ccc3ccccc23)c1	160958088	HUDUIZDBRVBZLU-UHFFFAOYSA-N	267.397	4.596	70	10	CJIE	
Cc1nc([C@H](C)N[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(C)s1	217861022	IHMPERAPWXCCFS-RKLWJJNISA-N	294.508	4.871	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCc1cc(F)ccc1F	217862599	CTKCCCQNBXKXHP-PVUWLOKVSA-N	281.390	4.515	70	10	CJIE	
CCCN[C@@H](C1=CCCCCC1)c1ccc(CC)o1	217974022	VOWKIEDPGKXLPJ-KRWDZBQOSA-N	261.409	4.773	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@@H]1c1ccc(Br)c(Cl)c1	1885275074	RKAQHVULSYEZKZ-RQJHMYQMSA-N	298.318	4.807	70	10	CJIE	
CC(C)(C)CC1CC(COc2ccc([B-](F)(F)F)cc2)C1	2290039741	JWIKNNKKICFEOM-UHFFFAOYSA-N	299.165	4.582	70	10	CJIE	
CC(C)=C(COCC1(C)CC2(CCC2)C1)[B-](F)(F)F	2317997048	DUMFGYACAPRODF-UHFFFAOYSA-N	275.143	4.696	70	10	CJIE	
C[C@H](C[C@@H](O)c1cc2cc(F)ccc2o1)C(C)(C)C	159419564	XUYDJRURPOWWRY-ZWNOBZJWSA-N	264.340	4.678	70	10	CJIE	
Cc1ccc([C@H]2CNc3cccc(Cl)c3O2)cc1C	160552568	RHKQGBNKYCREEW-OAHLLOKOSA-N	273.763	4.502	70	10	CJIE	
Fc1cc(Cl)cc(CNc2ccc3[nH]ccc3c2)c1	160818246	RUUPZOPMKXGJST-UHFFFAOYSA-N	274.726	4.573	70	10	CJIE	
Cc1cc([C@H](N)c2cc3ccc(F)cc3s2)ccc1F	161154089	GPZJIOLYURUMHR-INIZCTEOSA-N	289.350	4.536	70	10	CJIE	
CCCNCc1oc2cc3c(cc2c1CC(C)C)CCC3	161297450	GKORONRKFJHUNI-UHFFFAOYSA-N	285.431	4.620	70	10	CJIE	
CCN[C@H](Cc1ccc(C(C)(C)C)cc1)[C@@H](C)C(C)C	161300895	WPJZRFABPYXRCR-MAUKXSAKSA-N	275.480	4.797	70	10	CJIE	
Cc1ccccc1C[C@@H](C)N[C@H]1C[C@@H](C)CC(C)(C)C1	218102220	QSSYOKOFMTWWTI-KYJSFNMBSA-N	273.464	4.730	70	10	CJIE	
C[C@H]1CCCC[C@H]1CN[C@H](C)c1cccc(Cl)c1	218161293	HJAHCLUHSFTPHF-GUTXKFCHSA-N	265.828	4.817	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O[C@H](c1ccccc1)[C@@H](C)N	218251548	YZMVYJJPWVYOKF-PTIUUAQKSA-N	289.463	4.552	70	10	CJIE	
CC[C@H]1CCCC[C@H]1OC[C@@H](O)c1c(C)cc(C)cc1C	218547969	QHSKFQMLHHIXTE-RCCFBDPRSA-N	290.447	4.631	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1OC[C@@H](O)c1ccc(C(C)C)cc1	218548137	JLWHPPDZKRFFGA-IPELMVKDSA-N	290.447	4.829	70	10	CJIE	
CCCNCc1sc([C@@H]2CC[C@@H](CC)C2)nc1C1CC1	159510084	GDYHWTFBUHPINH-TZMCWYRMSA-N	292.492	4.814	70	10	CJIE	
CCCN[C@H](Cc1ccc(F)cc1Cl)C1(C)CCCC1	160601556	BYNVQYRYDTVCKB-MRXNPFEDSA-N	297.845	4.970	70	10	CJIE	
CSc1ccc([C@@H](O)c2c(C)ccc3ccccc23)cc1	161009430	ODTKTPIPWWAORN-LJQANCHMSA-N	294.419	4.952	70	10	CJIE	
O=C(CC1=CCCCC1)Cc1cccc(C(F)(F)F)c1	161030808	YCCCWNLDPXBLHE-UHFFFAOYSA-N	282.305	4.708	70	10	CJIE	
O[C@H](CC1=CCCCC1)c1ccc(C(F)(F)F)cc1	161078640	JDCPSEQTRGASJN-CQSZACIVSA-N	270.294	4.629	70	10	CJIE	
O[C@H](CC1=CCCCC1)C[C@H]1CCCc2ccccc21	161099225	LUCYXZOKPKOGJM-QZTJIDSGSA-N	270.416	4.748	70	10	CJIE	
O[C@H](CCCc1ccccc1)c1cc(F)cc(Cl)c1	161206653	CSYVDPRRYUPIMS-MRXNPFEDSA-N	278.754	4.535	70	10	CJIE	
CCN[C@@H](Cc1ccc(C(C)(C)C)cc1)C[C@H](C)CC	161265935	PMPOJPFAAQMTQD-CRAIPNDOSA-N	275.480	4.941	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](N)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	217781763	SYEHRINJYQMXNY-AOIWGVFYSA-N	287.491	4.926	70	10	CJIE	
CCN[C@@H](Cc1cc(C)ccc1C)[C@@H]1CCC[C@@H](C)C1	217982598	BBHRKNMXJLIONK-BJZITVGISA-N	273.464	4.650	70	10	CJIE	
CCCN[C@@H](c1cccc(OC)c1)[C@@H]1CCC[C@@H](C)C1	218027080	XBBPVLYTTJYRKQ-IIDMSEBBSA-N	275.436	4.562	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCc1ccc(Cl)cc1N	218250137	JWTNYQISHFJQCH-MJEQTWJJSA-N	295.854	4.900	70	10	CJIE	
CCCC[C@H](CC)CO[C@@H](c1cccc(F)c1)[C@@H](N)CC	218268482	ODPYGDDVLJMZNB-WBAXXEDZSA-N	295.442	4.837	70	10	CJIE	
CCC[C@H]1CC[C@@H](O)[C@@H](Cc2c(C)cc(C)cc2C)C1	218297567	SEDRWMIBGHJKOR-YQVWRLOYSA-N	274.448	4.732	70	10	CJIE	
C=C(CSc1ccc(C(C)C)cc1)[B-](F)(F)F	232731243	AUVXLUNBJLEDBQ-UHFFFAOYSA-N	259.125	4.845	70	10	CJIE	
CC(C)(C)c1cccc(CN2CCC[C@@H]([B-](F)(F)F)C2)c1	2290293987	RCMNAOHXXMDDLB-OAHLLOKOSA-N	298.181	4.798	70	10	CJIE	
CC(C)=C(CN(CC(C)C)c1ccccc1)[B-](F)(F)F	2340335381	WSSGSRXHGYJTML-UHFFFAOYSA-N	284.154	4.872	70	10	CJIE	
C[C@@](F)(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCNC1	159447270	GAGDCSNCDINIQR-RTBURBONSA-N	283.390	4.538	70	10	CJIE	
C[C@@H](C[C@@H](O)c1cccc2c1OCCC2)CC(C)(C)C	159752391	QZCYAHDJXJJCQV-XJKSGUPXSA-N	276.420	4.507	70	10	CJIE	
Cc1ccc([C@@H](C)N[C@H]2CCC[C@@H](C3CC3)C2)cc1	159897468	QKZPVIRXCPREPE-OLMNPRSZSA-N	257.421	4.614	70	10	CJIE	
CN[C@H](Cc1ccc(Cl)cc1Cl)C1[C@H]2CCCC[C@H]12	160452017	FMAZWFGYYFJKGF-KCQAQPDRSA-N	298.257	4.560	70	10	CJIE	
CCN[C@H](c1ccccc1)c1cc2ccc(F)cc2s1	161142708	DRXCDUSGZPHIHL-QGZVFWFLSA-N	285.387	4.739	70	10	CJIE	
CC[C@@H](C)c1ccccc1O[C@H](C)[C@@H](O)c1ccccc1	217017337	KMMCDMHXUUPGLX-SPYBWZPUSA-N	284.399	4.701	70	10	CJIE	
CC1(C)CCC(CN2CC[C@H]3C[C@]3([B-](F)(F)F)C2)CC1	1879767797	OBSPHHXXYCPPGQ-ZFWWWQNUSA-N	288.186	4.516	70	10	CJIE	
CCc1ccsc1[C@@H](O)c1ccccc1C1CCC1	160022828	QXPQVOHBNVUAOP-INIZCTEOSA-N	272.413	4.660	70	10	CJIE	
CNCC1(C[C@@H]2CCC(C)(C)O2)CCC(C(C)(C)C)CC1	160904134	VWUJJSCRWWIBJV-WUJZJPHMSA-N	295.511	4.776	70	10	CJIE	
CO[C@@]1(C(=O)c2ccc3ccccc3c2)CCC[C@H](C)C1	161013772	ATJKIPBQZRBOMZ-LIRRHRJNSA-N	282.383	4.618	70	10	CJIE	
CC(C)N[C@H](C)c1ccc2ccccc2c1OCCCF	161299928	IHQRRXVNXSXKIG-CQSZACIVSA-N	289.394	4.637	70	10	CJIE	
CN[C@H](C)c1ccc(SC/C=C\c2ccccc2)cc1	217706124	VUYYWIIDFZTRFW-WUKHSURWSA-N	283.440	4.773	70	10	CJIE	
CCN[C@@H](Cc1ccccc1Cl)[C@H]1CCC[C@@H](C)C1	218001285	SJXLIFRELMUTLZ-KMFMINBZSA-N	279.855	4.687	70	10	CJIE	
CC[C@H]1CCC[C@H](Oc2cc(C)cc([B-](F)(F)F)c2C)C1	686553085	DNKHPUNVBDMZMU-KBPBESRZSA-N	299.165	4.705	70	10	CJIE	
CCCNC[C@H](Cc1c(C)cccc1C)C1CCCC1	159947795	SOSBARMBJYJRDX-SFHVURJKSA-N	273.464	4.652	70	10	CJIE	
CCSCC[C@@H](C)N[C@@H](CC(C)C)c1ccccc1	160019158	XRPFSOREOGTOIR-WBVHZDCISA-N	279.493	4.895	70	10	CJIE	
O[C@H](CC1CCCCCC1)[C@@H]1C[C@@H]1c1ccccc1	160067590	TWGVVEHTHJPDSU-KZNAEPCWSA-N	258.405	4.512	70	10	CJIE	
CCCN[C@@H](c1cc(C)oc1C)c1cccc(C)c1Cl	160310496	FJNXDWBZMIQWQD-QGZVFWFLSA-N	291.822	4.947	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCCN[C@@H]1CCCC[C@@H]1C	217892330	YPIOZBKYMSDEQH-SPOLIRPYSA-N	295.511	4.632	70	10	CJIE	
Fc1cc(Cl)ccc1N[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217932570	YGPBBPQGSCFNBW-YMXDLSOXSA-N	279.786	4.716	70	10	CJIE	
CSc1ccccc1N[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218063699	PLSYJAJVRQRLOE-JAAXMTQOSA-N	273.445	4.645	70	10	CJIE	
C[C@H]1CCCC[C@@H]1CN[C@H](c1ccccc1)c1ccco1	218162311	VQYBEOYRIJLWOH-KVSKMBFKSA-N	283.415	4.785	70	10	CJIE	
CC(C)(C)c1ccc(CN2CCC[C@H]([B-](F)(F)F)C2)cc1	2190456650	BFPKUIZRNNZEJE-HNNXBMFYSA-N	298.181	4.798	70	10	CJIE	
FC(F)(F)c1ccccc1CCCCCBr	136805687	ZLGMMZVSXWHBPD-UHFFFAOYSA-N	295.142	4.813	70	10	CJIE	
CCc1ccc([C@@H](N)c2cc3cccc(Cl)c3o2)s1	159910428	HDICXYJCPIIZBZ-AWEZNQCLSA-N	291.803	4.758	70	10	CJIE	
CCCOc1ccc(N[C@H]2CCc3ccc(C)cc32)cc1	160822193	SFESAFNXTMZULL-IBGZPJMESA-N	281.399	4.883	70	10	CJIE	
CCCN[C@H](c1ccc(C)c(C)c1)[C@@H]1CCCCS1	161426456	FSWYUPILXPUNKP-DLBZAZTESA-N	277.477	4.630	70	10	CJIE	
Cc1cc(C)c(C[C@]2(N)C[C@@H](C)CC[C@H]2C(C)C)c(C)c1	217882862	VBHRMFKLBGLQHU-PNHOKKKMSA-N	287.491	4.944	70	10	CJIE	
CCCN[C@H](c1ccc(OC)cc1)[C@H]1CCC[C@@H](C)C1	218033103	LWBSKMPWXNHRBQ-UWWQBHOKSA-N	275.436	4.562	70	10	CJIE	
C[C@H](N[C@H](c1ccccc1)C(C)(C)C)[C@@H]1C[C@H]2C=C[C@H]1C2	218112647	JNLFBKQCNPIIRN-PLOWYNNNSA-N	283.459	4.964	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@]1(CO)Nc1ccccc1Cl	218115280	HILSVQPTLBUBGD-ZQIUZPCESA-N	295.854	4.575	70	10	CJIE	
CC(C)Cc1ccc([C@@H](C)NN2[C@@H](C)CCC[C@H]2C)cc1	218451712	RREFQPAOTXEXIO-IXDOHACOSA-N	288.479	4.714	70	10	CJIE	
CCC[C@@H]1CC[C@@H](N)[C@@H](c2ccc3ccccc3c2)C1	218481702	PSSKMFIFBPCYNV-NIKGAXFTSA-N	267.416	4.851	70	10	CJIE	
Cc1ccc([C@H](O)[C@@H](C)O[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1	218555157	GXIJKXXBOKMKQB-JOCBIADPSA-N	290.447	4.648	70	10	CJIE	
CCCN[C@H]1CCC[C@H](S[C@@H]2CCC[C@@H](C)C2)C1	218761254	NECHYZMZDYRERX-QXSJWSMHSA-N	269.498	4.609	70	10	CJIE	
CC(C)=C(CO[C@@H]1CCC2(CCCC2)C1)[B-](F)(F)F	2320442246	DMIZMYGFANRNDX-GFCCVEGCSA-N	275.143	4.839	70	10	CJIE	
Cc1ccc2c(c1)[C@H](N[C@H]1CCCC[C@@H]1C(F)(F)F)CC2	160797295	NBIGMPRBGHWMPG-XHSDSOJGSA-N	297.364	4.693	70	10	CJIE	
Cc1cccc(CC(=O)c2c(C)ccc3ccccc23)c1	160810780	UYDRCKJGISFMNH-UHFFFAOYSA-N	274.363	4.882	70	10	CJIE	
CCCc1cccc(C(=O)C2(OCC)CCC(C)CC2)c1	160982389	GDBMILBWYSCFLZ-UHFFFAOYSA-N	288.431	4.807	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](O)c1ccc(F)cc1F	161007018	ULROQHZUNZWFCV-SFHVURJKSA-N	284.305	4.508	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)Cc1ccc2c(c1)CCC2	161307792	QDXYMQDIBSFSFS-HXUWFJFHSA-N	283.459	4.586	70	10	CJIE	
CN[C@H]1CC[C@H](C(C)(C)C)C[C@@H]1Cc1cccc(F)c1F	217751858	CMJAGXAGVHDYPD-DZKIICNBSA-N	295.417	4.558	70	10	CJIE	
N[C@H]1CC[C@@H](c2ccccc2)C[C@@H]1Cc1ccc(Cl)cc1	217766599	FSUFSBKBPSPYCK-AOIWGVFYSA-N	299.845	4.794	70	10	CJIE	
COc1ccc([C@H](N[C@H]2CCC[C@@H](C)[C@@H]2C)C2CC2)cc1	217891347	IDZMTPDBRIOYCR-SPLQCWDRSA-N	287.447	4.561	70	10	CJIE	
COc1c(C)ccc(N[C@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c1C	218099059	YUPIRXAUJIEIOH-UJHHCITNSA-N	285.431	4.549	70	10	CJIE	
CC[C@@H]1CCCC[C@H]1OC[C@@H](O)c1c(C)cc(C)cc1C	218547894	QHSKFQMLHHIXTE-KZNAEPCWSA-N	290.447	4.631	70	10	CJIE	
CC[C@@H]1CC[C@H](CN)[C@@H](c2ccc(C(F)(F)F)cc2)C1	218672867	QXXCFIDVCYOBGK-UXIGCNINSA-N	285.353	4.574	70	10	CJIE	
CCC[C@H]1CC[C@@H](CN)[C@@H](Cc2c(F)cccc2Cl)C1	218742079	ISMNNZRXVZLIIQ-MELADBBJSA-N	297.845	4.813	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1O[C@@H]1CCCC(C)(C)C1	2197464451	KNNHENSJSLXRSE-CQSZACIVSA-N	299.165	4.651	70	10	CJIE	
CC(C)=C(COC[C@H]1C[C@H]2CCC[C@H]1CC2)[B-](F)(F)F	2340326563	UURZWYYCGOOVQY-MELADBBJSA-N	289.170	4.942	70	10	CJIE	
CC(C)(C)NC[C@@H](Cc1cc(F)ccc1F)C1CCCC1	160000572	XOFCKYYIIVSLAP-OAHLLOKOSA-N	295.417	4.702	70	10	CJIE	
CCO[C@H](c1nc(Cl)cc(C(C)C)n1)C1CCCCC1	160380507	RWSPKSSIDOPJHV-HNNXBMFYSA-N	296.842	4.911	70	10	CJIE	
COc1c(C)ccc(NCc2coc3ccccc23)c1C	161085449	YXIAYJDISWPRHA-UHFFFAOYSA-N	281.355	4.670	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)c1c(N)cccc1Cl	161106291	VEMNIZAWQPZBKC-UHFFFAOYSA-N	295.769	4.615	70	10	CJIE	
CCc1ccc([C@@H](C)Nc2ccc(C)c(N(C)C)c2)s1	161182587	VGPAAXBLEHSPHP-CYBMUJFWSA-N	288.460	4.858	70	10	CJIE	
CCCc1ccc([C@@H](NCC)[C@H]2CCCCS2)cc1	161361721	DSNZVNWLTWEKED-IAGOWNOFSA-N	277.477	4.575	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)Cc1cccc(F)c1F	161440690	UEZKVKVJAYGZEC-INIZCTEOSA-N	293.401	4.766	70	10	CJIE	
CCCCCCCCOc1ccc([B-](F)(F)F)c(C)c1	216029800	BZYNMIHPXIIJMJ-UHFFFAOYSA-N	287.154	4.789	70	10	CJIE	
CCCc1nc(Cl)c(C)c(O[C@@H]2CC[C@@H](C)[C@@H](C)C2)n1	217542858	NKALKPNIKITODW-NTZNESFSSA-N	296.842	4.594	70	10	CJIE	
CCCN[C@@H](Cc1ccc(F)cc1F)[C@H]1CCC[C@@H](C)C1	218033771	NHUBCXXNUCKDGL-XUWXXGDYSA-N	295.417	4.702	70	10	CJIE	
Cc1ccc(N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c(C)c1O	218076470	XEARSJMLQGHUCX-DHSIGJKJSA-N	273.420	4.636	70	10	CJIE	
CC(C)(C)Sc1ccccc1/C=C/[B-](F)(F)F	385904884	GRCGGWZMXLEJGS-CMDGGOBGSA-N	259.125	4.977	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1OC[C@@H]1CCCC(C)(C)C1	2203162664	NIKZQMSKZDKKLN-CYBMUJFWSA-N	299.165	4.645	70	10	CJIE	
COc1cc(N[C@@H](c2ccccc2)C(C)C)ccc1F	160093055	OZEDCEMAFVNXDI-QGZVFWFLSA-N	273.351	4.644	70	10	CJIE	
Cc1ccc(Cl)cc1[C@H](N)Cc1ccc(F)cc1Cl	160583691	LGPMTBDCXGNSOQ-OAHLLOKOSA-N	298.188	4.683	70	10	CJIE	
CO[C@]1(C(=O)c2ccc3ccccc3c2)CCC[C@H](C)C1	161013528	ATJKIPBQZRBOMZ-IFXJQAMLSA-N	282.383	4.618	70	10	CJIE	
CC[C@H]1CC[C@H](NC)[C@@H](Cc2ccc(C(C)C)cc2)C1	217646771	KQAVVCPTTIEVPJ-IPELMVKDSA-N	273.464	4.767	70	10	CJIE	
CCN[C@@H](Cc1ccc(C)c(C)c1)[C@@H]1CCC[C@@H](C)C1	217984485	NEAWHAYIJHLHGG-ZMYBRWDISA-N	273.464	4.650	70	10	CJIE	
CC(C)Cc1ccc([C@H](O)CO[C@@H]2CCCC[C@@H]2C)cc1	218549261	PYLMNGYSPILEBP-KFKAGJAMSA-N	290.447	4.514	70	10	CJIE	
CCCN[C@H]1CC[C@H](CCC)C[C@@H]1N1CCCC[C@@H]1CC	218620339	VQFDINWJCFWKQR-VJANTYMQSA-N	294.527	4.588	70	10	CJIE	
F[B-](F)(F)/C=C\c1ccccc1-c1cccs1	385973856	PLZRNHITMVUKIM-FPLPWBNLSA-N	253.077	4.815	70	10	CJIE	
C=C(CCN(C)C[C@H]1CC[C@H](CCC)CC1)[B-](F)(F)F	1877967692	MJIVPPSIJTWASY-SHTZXODSSA-N	290.202	4.858	70	10	CJIE	
Cc1ccc([C@H]2C[C@H]2[B-](F)(F)F)c(C)c1Br	1975304556	SWXYEBFTNFVONW-NXEZZACHSA-N	291.927	4.771	70	10	CJIE	
C[C@@H]1CCC[C@H](CCN2CC[C@@](C)([B-](F)(F)F)C2)C1	2319729488	FTDJZMVRJNJVTK-MGPQQGTHSA-N	276.175	4.516	70	10	CJIE	
CNC[C@H](Cc1cccc(Cl)c1)[C@H]1C[C@@H]1c1ccccc1	159397525	UNMUHMNIHVTNJK-QXAKKESOSA-N	299.845	4.522	70	10	CJIE	
CCN[C@@H](c1cc(F)ccc1F)c1cccc(C)c1Cl	160296743	DHDHNNRNRCEREQ-MRXNPFEDSA-N	295.760	4.626	70	10	CJIE	
Cc1cc(C)c2c(C3CC3)c(CNC(C)C)oc2c1C	161215864	HHHJDRFFVHVLML-UHFFFAOYSA-N	271.404	4.733	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[C@@H](C)c1ccc(N)cc1	217355333	LALZGMYBHGDYOF-BODMPHMZSA-N	275.436	4.807	70	10	CJIE	
CC[C@H](N)[C@H](O[C@@H]1CCCC[C@@H]1CC)c1sccc1C	217896936	ZYSUEHDRSHWYQD-JONQDZQNSA-N	295.492	4.820	70	10	CJIE	
CCN[C@@H](Cc1cccc(Cl)c1)[C@H]1CCC[C@@H](C)C1	217996187	OLDDNVSLFSCABL-KMFMINBZSA-N	279.855	4.687	70	10	CJIE	
CCCN[C@H](c1ccc(C)cc1)[C@H]1CCC[C@@H](C)C1	218030712	GOEUYLURGGXMKB-BPQIPLTHSA-N	259.437	4.862	70	10	CJIE	
CCC(CC)[C@@H](N[C@@H]1C[C@@H]2CC=C[C@H]21)c1ccccc1	218243295	CSSUXVLBYXKPOH-WJFTUGDTSA-N	269.432	4.718	70	10	CJIE	
C[C@H](O[C@@H](c1ccc(Cl)cc1)[C@H](C)N)c1ccccc1	218585837	JISVQRURLQYWDU-GDZNZVCISA-N	289.806	4.506	70	10	CJIE	
CCN[C@H](CO[C@@H]1CCCC[C@@H]1CC)c1ccc(C)cc1	218782937	DMLUQWRMNGLHSF-QXAKKESOSA-N	289.463	4.631	70	10	CJIE	
C=C(CCN(C)C1CC(C2CCCCC2)C1)[B-](F)(F)F	2133469728	HLYPWWWTGLJQBN-UHFFFAOYSA-N	288.186	4.610	70	10	CJIE	
CCCc1cccc([C@@H](O)c2cc(C)cc(Cl)c2)c1	159824668	WGUIWEKDGGRJHP-QGZVFWFLSA-N	274.791	4.683	70	10	CJIE	
COc1cc(N[C@@H]2CCCC[C@@H]2C(C)(C)C)ccc1F	160056139	VZAGYXCHQSEAPZ-DZGCQCFKSA-N	279.399	4.851	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](N)C1(C)CCCC1	160869322	XEUFTUOEPSGCDX-KRWDZBQOSA-N	253.389	4.728	70	10	CJIE	
CC(C)Cc1ccc([C@H](C)NCCCC2CC2)cc1	161483248	OSICPPUGEHDKJW-HNNXBMFYSA-N	259.437	4.726	70	10	CJIE	
Cc1nc(NC(=O)Nc2cccc3ccccc23)sc1C	217301143	AJNQLKZQNGYBLH-UHFFFAOYSA-N	297.383	4.557	70	10	CJIE	
Cc1c(Cl)nc(C(C)C)nc1N(C)[C@@H]1CCC[C@@H](C)C1	217548435	AJCIBGHWMSLBNS-DGCLKSJQSA-N	295.858	4.577	70	10	CJIE	
O[C@]1(c2cc(Cl)ccc2Cl)C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217873098	HFWWLMZSUWMAGK-TUJLLHNGSA-N	297.225	4.637	70	10	CJIE	
CCCc1ccccc1N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218105160	IXRMELAICCPVTM-DOEOUOAPSA-N	269.432	4.876	70	10	CJIE	
C[C@@H]1CCC[C@H](O[C@@]2(CNC(C)(C)C)CCC[C@@H](C)C2)C1	218762284	OUFTWIURIYYFMU-VXNCWWDNSA-N	295.511	4.919	70	10	CJIE	
C[Si](C)(Cl)CCCOCCC[Si](C)(C)Cl	221935313	RXOWKWIHYHDLHS-UHFFFAOYSA-N	287.379	4.671	70	10	CJIE	
CSc1ccc([C@@H](O)c2cccc(CC(C)C)c2)cc1	159836470	YLGPMMJUEINHTJ-GOSISDBHSA-N	286.440	4.689	70	10	CJIE	
CCc1ccc([C@@H](NC)C2C3CC4CC(C3)CC2C4)s1	160130122	PXVKAPIVVPNUKK-HUSMKEGRSA-N	289.488	4.643	70	10	CJIE	
CCCN[C@@H](Cc1ccc(F)cc1Cl)[C@H](C)C(C)C	160544431	ICBXZTKMICNSKQ-WBMJQRKESA-N	285.834	4.682	70	10	CJIE	
CC(C)c1ccccc1NC(=O)Nc1cccs1	217305722	NSPQBFLRIDWCBV-UHFFFAOYSA-N	260.362	4.516	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O[C@@H](C)c1cccc(N)c1	217351394	ONKGFUDFYDGNDF-USJZOSNVSA-N	275.436	4.807	70	10	CJIE	
CCCCCc1ccc(N[C@@H]2C[C@@H]3CC=C[C@H]32)cc1	217935950	VIDIXLFMCPWIOH-CGTJXYLNSA-N	255.405	4.796	70	10	CJIE	
CCC[C@H]1CC[C@H](CN)[C@@H](Cc2ccc(CC)cc2)C1	218755059	SSZXODLDLWDUFG-QXAKKESOSA-N	273.464	4.583	70	10	CJIE	
CCCC[C@@H](CC)CO[C@@]1(CNCC)CCC[C@@H](C)C1	218755073	NRAKVNPRPMDSOL-KURKYZTESA-N	283.500	4.778	70	10	CJIE	
CCC[C@](C)(CNC(C)C)[C@H]1C[C@@H]1c1ccccc1	159418206	WKACDNWQTVJHQB-FGTMMUONSA-N	259.437	4.595	70	10	CJIE	
CSc1ccc([C@H](O)c2cccc(CC(C)C)c2)cc1	159836614	YLGPMMJUEINHTJ-SFHVURJKSA-N	286.440	4.689	70	10	CJIE	
O[C@H](CCC1CCCCC1)c1ccc(OC2CC2)cc1	159912488	IIPOKCPEDLHGSQ-GOSISDBHSA-N	274.404	4.622	70	10	CJIE	
CC[C@@H]1CCC[C@@H]([C@@H](NN)c2csc3ccccc23)C1	217322593	FZGVFJZNWUNHGL-PBFPGSCMSA-N	288.460	4.622	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NC)[C@@H](Cc2cc(C)cc(C)c2)C1	217699185	MZSCYVRXCWTOQI-BHIYHBOVSA-N	273.464	4.650	70	10	CJIE	
C[C@@H](N[C@H]1CCSC1)c1ccc(-c2ccccc2)cc1	218588434	OGEGASDEAGUYJM-KDOFPFPSSA-N	283.440	4.510	70	10	CJIE	
CC[C@@H]1CC[C@H](CN)[C@@H](c2ccc3ccccc3c2)C1	218649916	DBZNPKPJYSBFMJ-NIKGAXFTSA-N	267.416	4.708	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1O[C@@H]1CC[C@H](C)[C@@H](C)C1	2197461491	MOKSGRUJCRTWBS-SLEUVZQESA-N	299.165	4.507	70	10	CJIE	
CC(C)(C)C1CCC(N)([C@H]2C[C@@H]2c2ccccc2)CC1	159549336	IPJPEDGJNMCADR-ISXWCOSWSA-N	271.448	4.724	70	10	CJIE	
C/C(=C/CCNC(C)(C)C)[C@@H]1C[C@@H]1c1ccccc1	159632506	HQZJCIXOYMNVTJ-WGWXLZAMSA-N	257.421	4.515	70	10	CJIE	
CCCc1ccc([C@@H]2CNc3ccc(Cl)cc3O2)cc1	160564108	QKNVHNJRVTWKFW-KRWDZBQOSA-N	287.790	4.838	70	10	CJIE	
Cc1ccc(C(=O)c2c(C)ccc3ccccc23)s1	160818909	VMUDOINBRLPLPA-UHFFFAOYSA-N	266.365	4.749	70	10	CJIE	
CCN[C@@H](CC1CCCCC1)c1ccc(C)cc1F	161047760	UTQOUURETZVIRY-KRWDZBQOSA-N	263.400	4.755	70	10	CJIE	
CCN[C@@H](c1cccc(Cl)c1F)[C@@H]1CCC[C@@H](C)C1	218731785	NOMQLQREFDWHFU-XHBSWPGZSA-N	283.818	4.956	70	10	CJIE	
CC1(C)CC2(CC(CN3CCC[C@@H]([B-](F)(F)F)C3)C2)C1	2133915214	WCWBEEIIPNFILQ-CYBMUJFWSA-N	288.186	4.516	70	10	CJIE	
C[C@@H](NCc1cc(Cl)ccc1F)c1cccc(Cl)c1	160660888	JAMIFFWDQKGRNV-SNVBAGLBSA-N	298.188	4.983	70	10	CJIE	
Cc1ccc2ccccc2c1-c1ccccc1[C@@H](C)N	160963880	NGUNGGIAYLDZAG-CQSZACIVSA-N	261.368	4.835	70	10	CJIE	
CC(C)(C)c1ccccc1[C@@H](N)Cc1ccc(Cl)s1	160975074	PGUZCYFQISXBJI-AWEZNQCLSA-N	293.863	4.942	70	10	CJIE	
Cc1ccc([C@H](C)NCc2coc3ccccc23)cc1F	161109405	WKGCRYXWBQLIRY-ZDUSSCGKSA-N	283.346	4.731	70	10	CJIE	
N[C@H](c1ccc2c(c1)CCC2)c1cc2ccc(F)cc2s1	161133697	HYRBTQAGXMSPTM-GOSISDBHSA-N	297.398	4.577	70	10	CJIE	
CC(C)CNCc1oc2c(F)cc(F)cc2c1C(C)(C)C	161222737	RQFCRXKRPRWQBX-UHFFFAOYSA-N	295.373	4.754	70	10	CJIE	
CN[C@H](CC1=CCCCC1)[C@H]1CCOC2(CCCCC2)C1	161281770	BJRQKSDDFYVDOJ-ZWKOTPCHSA-N	291.479	4.594	70	10	CJIE	
Cc1nn(C(C)C)c(C)c1N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218113393	QHJJRIHPSHOJTK-RLFYNMQTSA-N	289.467	4.708	70	10	CJIE	
CCCN[C@@H](C)c1cc(F)ccc1N1CCC[C@@H](CC)C1	218407341	DYKXZOXMMIMTDH-LSDHHAIUSA-N	292.442	4.513	70	10	CJIE	
CC1(C)CC[C@H](CCN2CCC([B-](F)(F)F)CC2)C1	2321609309	XTAKOQCMRZPSOA-GFCCVEGCSA-N	276.175	4.516	70	10	CJIE	
C[C@@H]1C[C@@H](N[C@H](C)c2ccc(F)cc2)CC(C)(C)C1	159840077	YRGITJIBXMANCS-XJKCOSOUSA-N	263.400	4.691	70	10	CJIE	
CCCCCC[C@H](NC)C1(OCC)CCC(C)CC1	159888703	BCTFKLVGWGGDGE-CGZBRXJRSA-N	269.473	4.530	70	10	CJIE	
CCO[C@H](c1nc(Cl)cc(C2CC2)n1)C1CCCCC1	160414149	ZZVDINMMRDIYDW-HNNXBMFYSA-N	294.826	4.665	70	10	CJIE	
CCCN[C@H](C)c1ccc(Oc2ccc(F)cc2C)cc1	160583057	JIWQYUBEAJKZEE-CQSZACIVSA-N	287.378	4.987	70	10	CJIE	
CCCC[C@H](CC)Nc1c(F)c(F)c(F)c(F)c1F	160629352	HVTMQVSACFSIEN-ZETCQYMHSA-N	281.268	4.763	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](N)c1cc(Cl)ccc1F	160867716	BHMOUWPVWIPEPY-GOSISDBHSA-N	299.776	4.989	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1ccc(F)c(F)c1	161364184	VLQICFJOPDKCGP-INIZCTEOSA-N	265.347	4.506	70	10	CJIE	
Cc1ccc(Cl)c2oc(CNC3CC3)c(CC(C)C)c12	161417926	DMOJMJGYMDPEDB-UHFFFAOYSA-N	291.822	4.845	70	10	CJIE	
CCOc1cc(F)ccc1N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	217580837	BIVAHJFKRAQJJE-PZPSRYQVSA-N	291.410	4.851	70	10	CJIE	
CCC[C@H]1CC[C@@H](NCC)[C@@H](CCOCCC(C)C)C1	217717069	LDLGMLITJBOLFA-OKZBNKHCSA-N	283.500	4.634	70	10	CJIE	
CCCCN([C@H](C)CC)[C@@H]1CCCc2cc(O)ccc21	217831017	QVKMLMVLCQYVQD-RDTXWAMCSA-N	275.436	4.670	70	10	CJIE	
C[C@@H]1C[C@H](N[C@@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)CC(C)(C)C1	218016168	NAWWQXLTTCKLAO-FHXWZAGWSA-N	275.480	4.616	70	10	CJIE	
Cc1ccc(C(=O)CC/C=C\c2ccccc2)cc1	218512462	WTBLZZKGJFMKIJ-UITAMQMPSA-N	250.341	4.671	70	10	CJIE	
CCCCCCCCCC(C)(C)CS(=O)(=O)Cl	1951787435	FRBWZHQZGLPRMB-UHFFFAOYSA-N	282.877	4.722	70	10	CJIE	
CCNc1cc(Oc2ccccc2C(C)(C)C)ccn1	159369617	NXNZMUDQIAZIIP-UHFFFAOYSA-N	270.376	4.603	70	10	CJIE	
CCCC[C@](CC)(CNC)[C@@H]1C[C@@H]1c1ccccc1	159420757	BZKYFIOVKUCYGE-KZNAEPCWSA-N	259.437	4.596	70	10	CJIE	
CCc1ccc([C@H](Cc2ccc(Cl)cc2Cl)NC)o1	160510508	CGOWVDFUXMYRCI-AWEZNQCLSA-N	298.213	4.652	70	10	CJIE	
Cc1ccc2ccccc2c1CCC1(CCN)CCCC1	161111845	TWHGVMGWVNDJQA-UHFFFAOYSA-N	281.443	4.990	70	10	CJIE	
CN[C@H](CC1=CCCCC1)c1ccc2ccccc2c1	161292832	MAIOOLZSLHRJNS-LJQANCHMSA-N	265.400	4.991	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1NC1CC(c2ccccc2)C1	217887731	IZBQVILPAAQTKO-VKRGEFJLSA-N	285.475	4.983	70	10	CJIE	
CC[C@H]1CCCC[C@H]1N[C@H](c1ccc(OC)cc1)C1CC1	218153169	SXDXEIYNBOSLSH-KYNGSXCRSA-N	287.447	4.705	70	10	CJIE	
Cc1ccc(C(=O)[C@H](C)O[C@H]2C[C@@H](C)CC(C)(C)C2)cc1	218412764	PIUZLMYLGKSSNU-VYDXJSESSA-N	288.431	4.798	70	10	CJIE	
CCC[C@@H]1CC[C@H](N)[C@@H](c2ccc(C(C)(C)C)cc2)C1	218473793	QUTGGJVFFXCUQD-OLMNPRSZSA-N	273.464	4.995	70	10	CJIE	
CC(C)C[C@H](C)Oc1ccc2ccccc2c1[B-](F)(F)F	302602016	WJNPSPAZJJSKAS-LBPRGKRZSA-N	295.133	4.708	70	10	CJIE	
Cc1ccc([C@@H](C)N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1	159902953	LWRFISHVAYRIGS-INMHGKMJSA-N	259.437	4.860	70	10	CJIE	
O[C@@H](CC1CCCCCC1)c1cccc(OC2CC2)c1	159962020	LQSZKCKIGKZDEC-SFHVURJKSA-N	274.404	4.622	70	10	CJIE	
Cc1cccc([C@@H](O)c2cccc3ccccc23)c1Cl	160423350	JSLZXERZADWXJV-SFHVURJKSA-N	282.770	4.883	70	10	CJIE	
Clc1cccc(NCc2nc3cccc(Cl)c3o2)c1	160430667	UFHARSZZSRNIBM-UHFFFAOYSA-N	293.153	4.747	70	10	CJIE	
CCN[C@@H](Cc1ccc(Cl)cc1)[C@@H]1CCC[C@@H](C)C1	218006990	JYNNHVMNMVAEOZ-UNEWFSDZSA-N	279.855	4.687	70	10	CJIE	
CCCC[C@@H](CC)CO[C@@H]1C[C@@H](CCC)CC[C@@H]1O	218556453	MKQMGFNUZNBFRH-LTIDMASMSA-N	270.457	4.549	70	10	CJIE	
CC(C)(C)/C=C/NC(=O)Nc1ccc(C(C)(C)C)cc1	218566443	HIWISKOYDBUZSO-VAWYXSNFSA-N	274.408	4.665	70	10	CJIE	
CCNC[C@@H](O[C@H]1CCC[C@@H](C)C1)c1ccc(Cl)cc1	218762703	RMKIUHDJJQVVQU-XOKHGSTOSA-N	295.854	4.586	70	10	CJIE	
F[B-](F)(F)/C=C\c1ccc(OCc2ccccc2)cc1	309602845	CRWCLLBFPNWVGT-KHPPLWFESA-N	277.074	4.665	70	10	CJIE	
C[C@H](NCc1ccc(Cl)cc1F)c1cccc(Cl)c1	160660521	OVKTXNRHHIYNHR-JTQLQIEISA-N	298.188	4.983	70	10	CJIE	
COc1c(C)ccc(NCc2ccc(Cl)cc2F)c1C	160751215	RRONEKMKLVGZIJ-UHFFFAOYSA-N	293.769	4.717	70	10	CJIE	
CCCC[C@](CC)(CNCC)C[C@H]1CCC(C)(C)O1	160904920	CKVIUVRGWVZCJU-WBVHZDCISA-N	269.473	4.530	70	10	CJIE	
Cc1ccc([C@]2(O)C[C@H](C)CC[C@H]2C(C)C)cc1C	217867270	CIJFTANSHBAPRA-JEBQAFNWSA-N	260.421	4.583	70	10	CJIE	
CCN[C@@H](CC1CCCCC1)[C@@H]1CCC[C@@H](C)C1	217987371	RVBJAZPSAHUOGY-OIISXLGYSA-N	251.458	4.761	70	10	CJIE	
CC[C@@H]1CCCC[C@H]1N[C@H](c1ccc(F)cc1)C1CC1	218154716	UWRUXTPOUJWULH-XWIAVFTESA-N	275.411	4.835	70	10	CJIE	
NC[C@@H]1CCCCC[C@H]1C[C@@H]1CCCc2ccccc21	218579672	JTDJYJVHTKNZKJ-BZSNNMDCSA-N	271.448	4.652	70	10	CJIE	
CCC[C@H]1CC[C@@H](CN)[C@@H](Cc2ccc(Cl)s2)C1	218737434	ITWIQLFLMYVHEJ-RWMBFGLXSA-N	285.884	4.735	70	10	CJIE	
CCCN[C@H](CCC)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	218784136	QLQHTJPRZQTXQY-BSDSXHPESA-N	283.500	4.632	70	10	CJIE	
C=C(CCO[C@@H]1C[C@@H](C)CC(C)(C)C1)[B-](F)(F)F	1999702664	QLJKEFWNMXJOIJ-ZYHUDNBSSA-N	263.132	4.551	70	10	CJIE	
CNc1cc(Oc2cc(C)ccc2C(C)(C)C)ccn1	159366008	BIOGWNISYPJGNC-UHFFFAOYSA-N	270.376	4.522	70	10	CJIE	
CCN[C@@H](c1ccc(C)cc1)C1C2CC3CC(C2)CC1C3	160136604	QTQGVMACVUJBOQ-VMALJAOGSA-N	283.459	4.718	70	10	CJIE	
CN[C@@H](CC1CCCCC1)c1cc2c(s1)CCCC2	161068324	ZNKIGWWORWMBQC-HNNXBMFYSA-N	277.477	4.858	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)s1)C1C(C)(C)C1(C)C	161218528	ZLGFGZWDVBYIPW-CQSZACIVSA-N	279.493	4.513	70	10	CJIE	
Cc1ccc([C@@H](N[C@@H]2CCC[C@@H](C)[C@H]2C)C2CC2)cc1	217887986	GSHOSERGZXWLPZ-OHDICMOHSA-N	271.448	4.860	70	10	CJIE	
CCc1ccc(N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1	218072299	QCWKXVQMACIZEF-YXJHDRRASA-N	257.421	4.876	70	10	CJIE	
CC[C@H]1CCCC[C@H]1O[C@H](c1ccc(F)cc1)[C@@H](N)CC	218244013	XULWIOTUHZHMOX-VIBAHUMZSA-N	293.426	4.590	70	10	CJIE	
CO[C@@H]1CCCC[C@@H]1N[C@@H](CC(C)(C)C)c1ccccc1	218260186	IBCAZBLGUTVJFZ-OKZBNKHCSA-N	289.463	4.711	70	10	CJIE	
C[C@@H](F)c1csc2cccc(Br)c12	218330855	VOONLTBIZJHWQW-ZCFIWIBFSA-N	259.143	4.694	70	10	CJIE	
CCN[C@H](c1cnc2ccccc2c1)[C@@H]1CCC[C@@H](C)C1	218576888	GHNINLPEXNLRLW-OGWOLHLISA-N	282.431	4.712	70	10	CJIE	
F[B-](F)(F)/C=C\c1cccc(OCc2ccccc2)c1	309611840	NOKVVTNVCVAQET-KTKRTIGZSA-N	277.074	4.665	70	10	CJIE	
CC(C)(C)c1ccc(CN2CCC[C@@H]([B-](F)(F)F)C2)cc1	2190456651	BFPKUIZRNNZEJE-OAHLLOKOSA-N	298.181	4.798	70	10	CJIE	
CC(C)=C(CN(C)C[C@H]1CCCC(C)(C)C1)[B-](F)(F)F	2340145159	AGVOZCAGDWEESL-ZDUSSCGKSA-N	290.202	4.858	70	10	CJIE	
CCCNCC(CC)(CC)[C@@H]1C[C@@H]1c1ccccc1	159424467	NCKDSCWGUJJEHF-IAGOWNOFSA-N	259.437	4.596	70	10	CJIE	
COc1cc(N[C@H](C)c2ccc(Cl)c(F)c2)ccc1F	160049116	UBYUYJYRNVHJQS-SECBINFHSA-N	297.732	4.800	70	10	CJIE	
COc1cc(N[C@@H](C)c2cc(C)ccc2C)ccc1F	160094829	QTGWIPAETKNUND-ZDUSSCGKSA-N	273.351	4.624	70	10	CJIE	
CCCNCc1oc2c(C)c(C)ccc2c1CC(C)C	161254711	PDORPFJOOINDQO-UHFFFAOYSA-N	273.420	4.748	70	10	CJIE	
CCCN[C@H](c1cccc(C)c1C)[C@H]1CCCCS1	161427988	CLEGQANHUMKKLY-IAGOWNOFSA-N	277.477	4.630	70	10	CJIE	
C[C@@H](CC(C)(C)c1ccccc1)NCCCC1CC1	161471744	SDTJRWGMJJXWJK-HNNXBMFYSA-N	259.437	4.523	70	10	CJIE	
Cc1c(Cl)nc(C(C)C)nc1N[C@H]1CC[C@@H](C)[C@@H](C)C1	217561777	KMTJKEQKSUMFEX-MDZLAQPJSA-N	295.858	4.798	70	10	CJIE	
CCCN[C@H](Cc1ccccc1C)[C@@H]1CCC[C@@H](C)C1	218030329	JSHREBNUDYHFIP-ATZDWAIDSA-N	273.464	4.732	70	10	CJIE	
CCCN[C@@H](c1ccccc1C)[C@@H]1CCC[C@@H](C)C1	218032715	DHLVWACBLFAQQX-QGPMSJSTSA-N	259.437	4.862	70	10	CJIE	
CC1CCC(CN[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)CC1	218206910	VOJMGXPHCPJAGA-CZTDCBLESA-N	263.469	4.617	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@H]1c1cc(Cl)ccc1Cl	1885275358	UJWWAQLJWUQRTD-XPUUQOCRSA-N	253.867	4.698	70	10	CJIE	
CCCNc1cc(Oc2c(C)ccc(C)c2C)ccn1	159376704	FFQFRYPQFFVYMC-UHFFFAOYSA-N	270.376	4.621	70	10	CJIE	
Cc1ccc(C(=O)c2cn(C)c3cc(Cl)ccc23)c(C)c1	159620051	VLHOTPNOTODJMR-UHFFFAOYSA-N	297.785	4.680	70	10	CJIE	
O[C@@H](c1ccccc1C1CCC1)c1cccc(F)c1Cl	160017610	UTZQQUOVIACUOL-KRWDZBQOSA-N	290.765	4.828	70	10	CJIE	
C[C@H](C[C@H](O)[C@@H]1C[C@@H]1c1ccccc1)CC(C)(C)C	160055995	LIFBZLXZVOQWGX-DZUCGIPZSA-N	260.421	4.613	70	10	CJIE	
Cc1cc([C@@H](O)c2cc3ccc(F)cc3s2)ccc1F	161225503	PRLKALIQHNGBAL-MRXNPFEDSA-N	290.334	4.570	70	10	CJIE	
COc1cccc(-c2ccc(-c3ccccc3)cc2)c1O	161432785	QIOJGHQZGUPZFF-UHFFFAOYSA-N	276.335	4.735	70	10	CJIE	
CCC[C@H]1CC[C@@H](N)[C@@H](Cc2c(C)cc(C)cc2C)C1	217680486	HYWCICKCAGBPAI-YQVWRLOYSA-N	273.464	4.698	70	10	CJIE	
CCC[C@H]1CC[C@H](N)[C@@H](Cc2c(C)cc(C)cc2C)C1	217680636	HYWCICKCAGBPAI-SCTDSRPQSA-N	273.464	4.698	70	10	CJIE	
CCCCCN(C(C)C)[C@H](c1ccc(C)cc1)[C@@H](N)CC	217825855	BXFCETFDSAYDFV-RBUKOAKNSA-N	290.495	4.674	70	10	CJIE	
CCCOc1ccc(N[C@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1	218184724	LPADGFKAGZJOFJ-RJEZFDHBSA-N	285.431	4.712	70	10	CJIE	
C=C(CCOc1ccc([C@@H](C)CC)cc1)[B-](F)(F)F	2044979051	DCWRIPHFBCVDNM-NSHDSACASA-N	271.111	4.912	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1O[C@@H]1CC[C@@H](C)[C@H](C)C1	2197461490	MOKSGRUJCRTWBS-LALPHHSUSA-N	299.165	4.507	70	10	CJIE	
CC(C)c1ccc(CN2CC[C@@](C)([B-](F)(F)F)C2)cc1	2342526583	PQKBZOKSJSMOPV-OAHLLOKOSA-N	284.154	4.623	70	10	CJIE	
Cc1cc(Cl)cc([C@H](O)c2ccccc2C2CCC2)c1	160019541	RLLKAWCZQQRUJL-SFHVURJKSA-N	286.802	4.998	70	10	CJIE	
C[C@@H](C[C@@H](N)Cc1ccc(F)cc1Cl)CC(C)(C)C	160532460	AACOOUXDWXEDAK-SMDDNHRTSA-N	285.834	4.811	70	10	CJIE	
Fc1cc(Cl)cc(CNc2cc(F)c(F)cc2F)c1	160931440	MTQZRHQCYIPIGV-UHFFFAOYSA-N	289.659	4.509	70	10	CJIE	
CO[C@]1(C(=O)c2cccc(CC(C)C)c2)CCC[C@H](C)C1	161023129	FWKHBDWUMHYVEC-HNAYVOBHSA-N	288.431	4.663	70	10	CJIE	
Cc1cc(CN[C@H]2C[C@@H](C)CC[C@H]2C(C)C)ccc1F	217523481	GIZOXMZNKJIAQK-OWQGQXMQSA-N	277.427	4.685	70	10	CJIE	
CCC[C@H]1CC[C@H](CN)[C@@H](CCSc2ccccc2)C1	218727690	LDSUSTPNOPLNJB-YESZJQIVSA-N	291.504	4.960	70	10	CJIE	
CC(C)=C(CN(C)[C@@H]1CCC[C@H](C)CC1)[B-](F)(F)F	2317863053	GNCZTVXUQWZSFP-QWHCGFSZSA-N	276.175	4.610	70	10	CJIE	
CCNc1cc(Oc2ccc(C(C)C)c(C)c2)ccn1	159371724	LJWOZJVRKPIMAO-UHFFFAOYSA-N	270.376	4.738	70	10	CJIE	
CC[C@@H](c1ccccc1)[C@@H](O)c1cc2cc(F)ccc2o1	159403246	YCALFMBHDPTYMR-MAUKXSAKSA-N	284.330	4.799	70	10	CJIE	
CCCNCc1sc(C2CCC(C)CC2)nc1C1CC1	159503468	AXZNDHQZBOCKRY-UHFFFAOYSA-N	292.492	4.814	70	10	CJIE	
CCc1ccc(C[C@@H](CNCC(C)C)C2CCCC2)s1	160021740	OMCKVSDOMNCXGU-INIZCTEOSA-N	293.520	4.905	70	10	CJIE	
CC(C)(C)c1ccc([C@H]2CCNC[C@@H]2C2CCCC2)s1	160125797	VWALFMFGQPJXIT-LSDHHAIUSA-N	291.504	4.929	70	10	CJIE	
CSc1ccccc1[C@@H](N)c1c(C)ccc2ccccc12	160836520	YAWFBWVACYFISE-LJQANCHMSA-N	293.435	4.918	70	10	CJIE	
CCCc1c(CNC)oc2ccc(C(C)(C)CC)cc12	161252260	PFSKQRGPGZZZJV-UHFFFAOYSA-N	273.420	4.792	70	10	CJIE	
CCCCCCCCOc1cc(F)ccc1[B-](F)(F)F	211582614	NJGQORPQFXXLHO-UHFFFAOYSA-N	291.117	4.619	70	10	CJIE	
CCC[C@H]1CC[C@H](NCC)[C@@H](Cc2ccc(F)cc2F)C1	217714918	DINXAORMNNXFRJ-JOQOYGCGSA-N	295.417	4.702	70	10	CJIE	
CCCCN([C@@H](C)CC)[C@H](c1cccc(F)c1)[C@@H](N)CC	217829324	DTZIWRIUNMTEAD-JCGIZDLHSA-N	294.458	4.505	70	10	CJIE	
CCN[C@H](c1cc(C)ccc1C)[C@H]1CCC[C@@H](C)C1	218002536	ZDAJTSMERIJZHT-SKDZVZGDSA-N	259.437	4.780	70	10	CJIE	
CCCN[C@H](c1cc(C)ccc1OC)[C@@H]1CCC[C@@H](C)C1	218025765	MELMNVHDOUHDGA-OGWOLHLISA-N	289.463	4.871	70	10	CJIE	
CC[C@@H]1CCCC[C@H]1OC[C@@H](NC)c1cc(C)ccc1C	218782299	ZTDHEFNBIVCAMZ-BHIYHBOVSA-N	289.463	4.549	70	10	CJIE	
C=C(CCN(C)[C@@H](C)C1(C)CCCCC1)[B-](F)(F)F	2044984013	IIDCXPHUUMKSII-ZDUSSCGKSA-N	276.175	4.610	70	10	CJIE	
F[B-](F)(F)[C@H]1CCCN(C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2225291192	XYMRZYCIZNIWCK-XGUBFFRZSA-N	288.186	4.516	70	10	CJIE	
O[C@H](CC1CCCCCC1)c1ccc(OC2CC2)cc1	159928521	CCUAAEJOJBLRRO-GOSISDBHSA-N	274.404	4.622	70	10	CJIE	
CCSCC[C@H](C)N[C@H]1CC[C@H](C)c2ccccc21	160059866	ULZSEZVIYJNDQF-ZQIUZPCESA-N	277.477	4.746	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)c1ccccc1C(F)(F)F	161244115	UTYJIRFPWMEGIY-HNNXBMFYSA-N	283.337	4.856	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)Cc1ccc(C)c(C)c1	161372007	PGJJQFOZOGUBHK-LJQANCHMSA-N	271.448	4.715	70	10	CJIE	
CCCN[C@@H](Cc1cccc(Cl)c1)[C@H]1CCCCS1	161418305	VAXJOVSZCUDPSZ-JKSUJKDBSA-N	297.895	4.536	70	10	CJIE	
CCCc1c(CNC)oc2c1cc(Cl)c1ccccc12	161436967	MHUAZAQAMBLWLN-UHFFFAOYSA-N	287.790	4.911	70	10	CJIE	
CCCN[C@@H](CCC)[C@@H](CC)N1CCC[C@@H]2CCCC[C@H]21	218656334	BNBHUGCKEFXISS-INDMIFKZSA-N	294.527	4.588	70	10	CJIE	
C=C(COc1ccccc1[C@@H](C)CC)[B-](F)(F)F	234031686	KQILAROZTNZHLN-JTQLQIEISA-N	257.084	4.522	70	10	CJIE	
Fc1cccc(NCc2cc(-c3ccccc3)cs2)n1	159916143	FQBCACLGMBORQU-UHFFFAOYSA-N	284.359	4.561	70	10	CJIE	
Cc1ncsc1CC[C@@H](CNC(C)(C)C)C1CCCC1	160008242	UAWIASQUBKEPSY-HNNXBMFYSA-N	294.508	4.579	70	10	CJIE	
CCN[C@@H](c1ccc(C)cc1C)c1cccc(C)c1Cl	160296197	COAWISROPCOAHN-SFHVURJKSA-N	287.834	4.964	70	10	CJIE	
CCO[C@]1(c2nc(Cl)cc(C(C)C)n2)CCC[C@H](C)C1	160380763	XPHMVUQSQHYTRB-BLLLJJGKSA-N	296.842	4.695	70	10	CJIE	
CN[C@@H](C)c1ccc(Oc2ccc(F)cc2C)c(Cl)c1	160584453	NSLOSCBWLAAINX-NSHDSACASA-N	293.769	4.860	70	10	CJIE	
CNCCC(C)(C)CCc1c(C)ccc2ccccc12	161114661	VMZBATCMFWPGTN-UHFFFAOYSA-N	269.432	4.717	70	10	CJIE	
CCC[C@@H](c1ccccc1)[Si](Cl)(Cl)Cl	198514080	CGMIUEOCNPJZLT-JTQLQIEISA-N	267.659	4.765	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@@H](C)c1ccc(N)cc1	217355408	LALZGMYBHGDYOF-NONVJHHQSA-N	275.436	4.807	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	217517863	YPJKDHGKALCLJJ-YXISZKLHSA-N	263.469	4.760	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NCC)[C@@H](Cc2cccc(C)c2)C1	217728707	GSNQSEQHCVBDFI-BHIYHBOVSA-N	273.464	4.732	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](CCCc2ccccc2)C1	218753794	ZKYFPXHBNCMZEG-QYZOEREBSA-N	273.464	4.801	70	10	CJIE	
CCNC[C@@H](O[C@H]1C[C@@H](C)CC(C)(C)C1)c1ccccc1	218754405	XUDWRYXKPRIEMF-BPQIPLTHSA-N	289.463	4.569	70	10	CJIE	
CC(C)(C)c1cccc(CN2CCC([B-](F)(F)F)CC2)c1	2290192401	JJFQSJSDJUNIFL-UHFFFAOYSA-N	298.181	4.798	70	10	CJIE	
CC(C)=C(CSCCCOCC1CCC1)[B-](F)(F)F	2317858560	XHEHCBQQYZMNKD-UHFFFAOYSA-N	295.199	4.649	70	10	CJIE	
CC(C)=C(CN(C)[C@@H]1CCCC2(CCC2)C1)[B-](F)(F)F	2340129536	LSBDGQHRJPQYIO-CYBMUJFWSA-N	288.186	4.754	70	10	CJIE	
CCC[C@](C)(CNC(C)C)[C@@H]1C[C@@H]1c1ccccc1	159417904	WKACDNWQTVJHQB-KZNAEPCWSA-N	259.437	4.595	70	10	CJIE	
Cc1cc(F)ccc1C[C@H](O)c1ccccc1C(C)(C)C	159882549	WQJCRADVMQZYKM-SFHVURJKSA-N	286.390	4.708	70	10	CJIE	
CCCNCc1oc2c(Cl)ccc(C)c2c1CCC	161419744	INLAPMZEGDVUHT-UHFFFAOYSA-N	279.811	4.847	70	10	CJIE	
Cc1ccc(NC(=O)Nc2ccc(C(C)(C)C)cc2)c(O)c1	217301333	CRLMCKHUSRQZJS-UHFFFAOYSA-N	298.386	4.642	70	10	CJIE	
CCN[C@@H]1CC[C@H](CC)C[C@@H]1Cc1cccc(Cl)c1	217671972	FNDCKKMOYIEKTN-YSVLISHTSA-N	279.855	4.687	70	10	CJIE	
N[C@H]1CC[C@H](c2ccccc2)C[C@@H]1Cc1ccccc1Cl	217767081	NMJGRDHSMPMNDP-WDYCEAGBSA-N	299.845	4.794	70	10	CJIE	
CCC1CCC(CN[C@@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)CC1	218115454	ASPCQJGNLHKCMF-KFZQLVCISA-N	275.480	4.617	70	10	CJIE	
CC[C@H](C)SCc1nc(C2CC2)c(CNC(C)C)s1	159545581	WZXKVGXFBVNIJP-NSHDSACASA-N	298.521	4.550	70	10	CJIE	
CCCc1cccc([C@@H](O)c2cc(Cl)ccc2C)c1	159833260	DULCOKGDFCFOEL-QGZVFWFLSA-N	274.791	4.683	70	10	CJIE	
CCCNC[C@H](CCCOc1ccccc1)C1CCCC1	159954892	DDENCCDZKGVASX-SFHVURJKSA-N	289.463	4.652	70	10	CJIE	
CCCN[C@@H](C1=CCCCO1)C1CCC(C(C)C)CC1	160044370	SMFBBUJEHLYGQE-LEOMRAHMSA-N	279.468	4.511	70	10	CJIE	
CCCN[C@@H](C1=CCCCO1)c1ccc(C(C)(C)C)cc1	160385872	XCNLAFGZUQWTJE-GOSISDBHSA-N	287.447	4.719	70	10	CJIE	
Cc1cc(F)ccc1Oc1cc(Cl)nc(C(C)(C)C)n1	160568926	AJOBZVVADGZRAD-UHFFFAOYSA-N	294.757	4.667	70	10	CJIE	
Cc1cc(F)ccc1Oc1ccc(F)cc1CNC(C)C	160609726	DGVYIJDMCXSSCM-UHFFFAOYSA-N	291.341	4.564	70	10	CJIE	
CCCN[C@H](CC)c1ccc(-c2cncc(C)c2)cc1	161021123	NBVNVDNZDKICKN-GOSISDBHSA-N	268.404	4.508	70	10	CJIE	
CCO[C@]1(C(=O)C2CCC(CC)CC2)CCC[C@@H](C)C1	161217321	NWWQBJTVDODFNL-YHOLWWCESA-N	280.452	4.757	70	10	CJIE	
C[C@H](C[C@@H](N)Cc1ccc(C(C)(C)C)cc1)C(C)(C)C	161270319	IHMLWVYYAYJQLR-RHSMWYFYSA-N	275.480	4.926	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)c1ccccc1OC	161399006	INXBZVPHEQZDFY-KRWDZBQOSA-N	273.420	4.626	70	10	CJIE	
CCc1c([C@H](C)NCCCC2CC2)oc2ccccc12	161480579	CYLIGDAYUYURNP-ZDUSSCGKSA-N	271.404	4.836	70	10	CJIE	
CCCN[C@H](c1cc(F)ccc1F)[C@@H]1CCC[C@@H](C)C1	218025427	DDGRVRKZBXMCDS-XNJGSVPQSA-N	281.390	4.832	70	10	CJIE	
C[C@H]1CCC[C@H]1N[C@H](c1cccs1)C1CCCC1	218208411	DPTUXJXOZXALPX-BJJXKVORSA-N	263.450	4.758	70	10	CJIE	
CCCCCC[C@@H](C)O[C@H](c1ccc(C)o1)[C@@H](N)CC	218258443	CCTFAWRARSZFBD-KMFMINBZSA-N	281.440	4.742	70	10	CJIE	
C=C(CCSc1ccc2ccccc2n1)[B-](F)(F)F	2044977234	PFJYKFMGVYAHCX-UHFFFAOYSA-N	282.119	4.660	70	10	CJIE	
F[B-](F)(F)[C@H]1CCCN(C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2338940085	AQFCMNHOOTTXDD-AJNGGQMLSA-N	288.186	4.516	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCN(C[C@@H]2C[C@@H]2C2CCCCCC2)C1	2342539278	BOQAQHSSCRLYRH-RRFJBIMHSA-N	288.186	4.516	70	10	CJIE	
CCCC[C@H](CC)[C@@H](O)c1cc2cc(F)ccc2o1	159401148	CSPOZDDIJYMLIB-MEDUHNTESA-N	264.340	4.822	70	10	CJIE	
CC[C@@H](N[C@@H]1CCc2ccc(C)cc21)C1CCCCC1	160822726	WXUCCPZTCAUCKP-RTBURBONSA-N	271.448	4.931	70	10	CJIE	
CN[C@H](c1c(C)ccc2ccccc12)[C@H]1C[C@@H]2CC[C@@H]1C2	160892117	FUYQCEZZLFTZOI-BIJSTVTOSA-N	279.427	4.845	70	10	CJIE	
CC[C@@H]1CC[C@@H](CNC(C)(C)C)[C@H](c2cncc(C)c2)C1	161034431	JNLNQXAHDADMRT-SOLBZPMBSA-N	288.479	4.688	70	10	CJIE	
CN[C@H](Cc1cccc(C)c1)c1cc2ccc(F)cc2s1	161177712	QOGFHFHCOQQXTB-MRXNPFEDSA-N	299.414	4.852	70	10	CJIE	
CC[C@@H]1CCCC[C@H]1C(=O)C1(OC)CCC(C)(C)CC1	161266639	LJZYJXUTJKGJBQ-HUUCEWRRSA-N	280.452	4.757	70	10	CJIE	
C[C@H]1C[C@H](N[C@@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)CC(C)(C)C1	218016244	NAWWQXLTTCKLAO-NKPHKUNOSA-N	275.480	4.616	70	10	CJIE	
F[B-](F)(F)/C=C/C(c1ccccc1)c1ccccc1	2059002549	GEVXDHVNIHUGQY-VAWYXSNFSA-N	261.075	4.761	70	10	CJIE	
O[C@H](c1ccccc1C1CCC1)[C@H]1C[C@@H]1c1ccccc1	160010057	DUHGMHUEXHQQDT-HSALFYBXSA-N	278.395	4.791	70	10	CJIE	
CCCc1cccc(C(=O)[C@H](OCC)C2CCCCC2)c1	161455814	IQWHEPJWUGSDSZ-LJQANCHMSA-N	288.431	4.807	70	10	CJIE	
CC(C)(C)NCCCCCCOC/C=C\c1ccccc1	217133189	SELYTCACHGLVNP-KAMYIIQDSA-N	289.463	4.665	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O[C@@H](C)c1ccc(N)cc1	217355480	LALZGMYBHGDYOF-USJZOSNVSA-N	275.436	4.807	70	10	CJIE	
Cc1c(Cl)nc(C2CC2)nc1N[C@H]1CC[C@H](C)[C@@H](C)C1	217562281	JGRDRDWSYHHABO-KWBADKCTSA-N	293.842	4.552	70	10	CJIE	
CCCN[C@H](Cc1cccc(F)c1)[C@@H]1CCC[C@@H](C)C1	218020584	ASMWFIDWIVHVPA-QGPMSJSTSA-N	277.427	4.563	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1cccc(F)c1F	218122779	WRDQIUYJHWSDOA-XUJVJEKNSA-N	267.363	4.838	70	10	CJIE	
C=C(CCN(C)CCCCCCC1CC1)[B-](F)(F)F	2218670564	BGQFUJSAIBJFLH-UHFFFAOYSA-N	276.175	4.612	70	10	CJIE	
Clc1ccc2nc(CCCNc3ccccc3)oc2c1	160475417	RDEBQDIDNOQHAZ-UHFFFAOYSA-N	286.762	4.526	70	10	CJIE	
CCCN[C@H](c1cc(C)cc(C)c1)[C@@H]1CCCCS1	161414805	KEPDQXPPIDSLOO-DLBZAZTESA-N	277.477	4.630	70	10	CJIE	
Cc1ccc(C(C)C)c(O[C@@H]2C[C@H](C(C)C)CC[C@H]2O)c1	218541926	QOHUQNDHJCXZRD-SZVBFZGTSA-N	290.447	4.683	70	10	CJIE	
C[C@@H]1CCC[C@@H](CCN2CCC[C@@H]([B-](F)(F)F)C2)C1	2253936903	GANZSBLWGUARJQ-HZSPNIEDSA-N	276.175	4.516	70	10	CJIE	
CC(C)=C(CN1C[C@@H](C2CCC2)CC[C@H]1C)[B-](F)(F)F	2340329835	YSBZHLMZTLFACF-OCCSQVGLSA-N	288.186	4.610	70	10	CJIE	
CCCNCc1sc([C@@H]2CC[C@@H](C)C2)nc1CC(C)C	159799945	IPEDMBPNMVUICN-ZIAGYGMSSA-N	294.508	4.745	70	10	CJIE	
Cc1cccc([C@H](C)N[C@@H]2C[C@@H](C)CC(C)(C)C2)c1	160209816	GOQJSEHINBUEAO-HLLBOEOZSA-N	259.437	4.860	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](Nc1ccc(F)c(F)c1F)CC2	160755718	UDECSDBQAYSSHB-ZDUSSCGKSA-N	277.289	4.512	70	10	CJIE	
O=C(CC1=CCCCC1)Cc1ccc(OC(F)(F)F)cc1	161025334	CMOMJXJUPZABOS-UHFFFAOYSA-N	298.304	4.587	70	10	CJIE	
CCN[C@@H](CC1CCCCC1)c1ccc(C)c(OC)c1	161026972	QCAGDVGDRQOGSV-KRWDZBQOSA-N	275.436	4.625	70	10	CJIE	
Cc1ccc(N[C@@H](c2ccccc2)C(C)C)cc1N(C)C	161209189	QBWGYWYCUTZQNI-LJQANCHMSA-N	282.431	4.870	70	10	CJIE	
Cc1ccc(CN[C@H](C)c2cc(Cl)cc(Cl)c2)cn1	161319583	MUIFADTYSFCRBG-LLVKDONJSA-N	295.213	4.548	70	10	CJIE	
CCN(C(=O)NCCC1CCCCC1)c1cccc(C)c1	217305232	DBHQTSNMYMTMDN-UHFFFAOYSA-N	288.435	4.501	70	10	CJIE	
CC[C@@H](C[C@H](C)CC)N[C@H](c1ccccc1)C1CC1	217984468	WZFCBXKHFHYXPV-FHLIZLRMSA-N	259.437	4.942	70	10	CJIE	
CC[C@@H](C)[C@H](c1ccccc1)[C@@H](O)c1ccc(F)c(F)c1	218129955	JFWATSYFEYCNSC-PJSAGSTRSA-N	290.353	4.828	70	10	CJIE	
C=C(COc1ccc(C)cc1C(C)(C)C)[B-](F)(F)F	235775461	BQGXEQMXCZZTIL-UHFFFAOYSA-N	271.111	4.614	70	10	CJIE	
CCNc1cc(Oc2ccccc2[C@H](C)CC)ccn1	159374477	HFNFTFPPJCJJJG-CYBMUJFWSA-N	270.376	4.819	70	10	CJIE	
CNCc1oc2c(-c3ccccc3)cccc2c1C(C)C	161157386	CQRGUCKCTHTJEY-UHFFFAOYSA-N	279.383	4.943	70	10	CJIE	
Cc1ccc([C@@H](C)Nc2ccc(C)c(N(C)C)c2)cc1F	161201273	JILAMFRUVFBYPG-CQSZACIVSA-N	286.394	4.682	70	10	CJIE	
CN[C@@H](Cc1ccc(C(C)(C)C)cc1)CC1CCCC1	161296295	YQNSRVCGACMIIN-GOSISDBHSA-N	273.464	4.695	70	10	CJIE	
CC[C@@H]1CC[C@H](NC)[C@@H](Cc2ccc(C(F)(F)F)cc2)C1	217652224	QHIJIJZSLDWATG-XPKDYRNWSA-N	299.380	4.662	70	10	CJIE	
CC[C@H](N)[C@@H](O[C@@H]1CCCC[C@@H]1CC)c1cccc(F)c1	218242915	WGYWDSKZAHDNHS-RUGDWHBFSA-N	293.426	4.590	70	10	CJIE	
CC[C@@H]1CC[C@H](O)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	218283106	ATIWAGHHCFIDJY-KYJSFNMBSA-N	274.448	4.714	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](N)[C@@H]([C@@H]2CCOC3(CCCCC3)C2)C1	218507941	VFZFJKJSFFUCLO-TVFCKZIOSA-N	293.495	4.516	70	10	CJIE	
C[C@@H]1CC[C@H](CN)[C@@H](c2ccc(-c3ccccc3)cc2)C1	218591991	PDWQUQPELNSIBD-CDHQVMDDSA-N	279.427	4.832	70	10	CJIE	
CC[C@@H]1CCCC[C@@H]1OC[C@@H](NC)c1cc(C)ccc1C	218782147	ZTDHEFNBIVCAMZ-QRQLOZEOSA-N	289.463	4.549	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1c1cccc(OCc2ccccc2)c1	1882184335	JYNWOKHLEFUZCD-HZPDHXFCSA-N	291.101	4.971	70	10	CJIE	
C[C@]1([B-](F)(F)F)CCN(C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2342492464	HATIJANDYWOMRE-XQLPTFJDSA-N	288.186	4.516	70	10	CJIE	
ClCc1cc2ccccc2nc1OC1CCCCC1	20469218	HOKBHTKBBDWECK-UHFFFAOYSA-N	275.779	4.685	70	10	CJIE	
CCCc1ccc([C@@H](NC)c2cccc(C)c2Cl)cc1	160290982	RXEIFGUZTSAOOO-GOSISDBHSA-N	287.834	4.910	70	10	CJIE	
CCCCC1CCC([C@@H](NCC)C2=CCCCO2)CC1	160380780	PRWJDQWJZLUVNU-LEOMRAHMSA-N	279.468	4.655	70	10	CJIE	
CC[C@H](c1ccccc1)[C@H](CC1CCCCC1)NC	161022822	DIGDEIDRPAKCOR-MSOLQXFVSA-N	259.437	4.739	70	10	CJIE	
CCN[C@@H](CC1CCCCC1)c1cccc(OC(F)F)c1	161056004	PNXOUDJGDPFJIH-INIZCTEOSA-N	297.389	4.909	70	10	CJIE	
C[C@H](O)c1ccc(N2CCC[C@H]3CCCC[C@H]32)c(Cl)c1	217516899	MUQMTJKBYLRGHZ-WOSRLPQWSA-N	293.838	4.552	70	10	CJIE	
CCCc1nc(Cl)c(C)c(N[C@H]2CC[C@@H](C)[C@@H](C)C2)n1	217560798	FCKYOOGXWSBYKT-MDZLAQPJSA-N	295.858	4.628	70	10	CJIE	
C1=C[C@@H]2[C@@H](C1)C[C@H]2Nc1ccc(-c2ccccc2)cc1	218173535	OCFDYEJIEUCWBR-QXAKKESOSA-N	261.368	4.730	70	10	CJIE	
CC[C@@H]1CCC[C@@H]([C@@H](NC)c2cccc(Cl)c2F)C1	218731273	LDIMPYUZKLYQRM-XHBSWPGZSA-N	283.818	4.956	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1OC[C@@H](C)C1CCCCC1	313160175	HPLZDGRNCGFQPU-CYBMUJFWSA-N	299.165	4.645	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1Oc1cc(C)cc([B-](F)(F)F)c1C	686557686	FSLUANZENGRSED-ZFWWWQNUSA-N	299.165	4.705	70	10	CJIE	
C=C(CCN(Cc1ccccc1)C1CCCC1)[B-](F)(F)F	1954696384	FOTXGVDFACMUGB-UHFFFAOYSA-N	296.165	4.764	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCCN(C[C@H]2C[C@@H]2C2CCCCC2)C1	2135678826	XERYIBHCOFTFKK-RBSFLKMASA-N	288.186	4.516	70	10	CJIE	
CC(C)=C(CN(C)[C@H](C)[C@H]1CCC[C@H](C)C1)[B-](F)(F)F	2340312736	JUAINSFRLWGOMK-MJBXVCDLSA-N	290.202	4.856	70	10	CJIE	
CC[C@@H]1CCC[C@H]([C@@H](NN)c2csc3ccccc23)C1	217322597	FZGVFJZNWUNHGL-IIYDPXPESA-N	288.460	4.622	70	10	CJIE	
CC[C@H]1CC[C@@H](CN)[C@@H](Cc2cccc(C(F)(F)F)c2)C1	218698301	WWTYVHMRXQDOHJ-AEGPPILISA-N	299.380	4.649	70	10	CJIE	
Cc1cc(OCC2(C(C)(C)C)CCC2)ccc1[B-](F)(F)F	2191980091	ACSUBZARFQRJMG-UHFFFAOYSA-N	299.165	4.645	70	10	CJIE	
CCSCC[C@H](C)N[C@H](C)c1oc2ccccc2c1C	159978492	WADKZZTUFRFJFN-GXTWGEPZSA-N	291.460	4.924	70	10	CJIE	
CCSCC[C@H](C)N[C@@H](C)c1cc(C)c(C)cc1C	160050337	MLGMOCGNXDWDFS-HOTGVXAUSA-N	279.493	4.794	70	10	CJIE	
CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NCc1coc2ccccc12	161104732	GVAXTMSOMOYWIQ-POZUXBRTSA-N	283.415	4.737	70	10	CJIE	
CC(C)(C)c1ccc(C[C@@H](N)CC2CCCCC2)cc1	161253043	QHKFDHRKVHTTON-SFHVURJKSA-N	273.464	4.824	70	10	CJIE	
CC[C@@H](C)c1ccccc1NC(=O)NCCc1ccccc1	217304832	PFFOUOZDEUNLQO-OAHLLOKOSA-N	296.414	4.564	70	10	CJIE	
CCN[C@@H](c1ccccc1Cl)[C@@H]1CCC[C@@H](C)C1	217982064	BXUKCIHEFUWPQN-XJKCOSOUSA-N	265.828	4.817	70	10	CJIE	
CCCc1ccccc1N[C@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218105371	IXRMELAICCPVTM-MUDKKEKZSA-N	269.432	4.876	70	10	CJIE	
CCC[C@H]1CC[C@H](CN)[C@@H](Cc2ccc(F)cc2Cl)C1	218754285	LJPCPQSQYYQFQD-NWANDNLSSA-N	297.845	4.813	70	10	CJIE	
CC(C)NC[C@H](c1ccccc1)[C@H]1C[C@@H]1c1ccccc1	159449972	SDDUHSUGXYWASC-HSALFYBXSA-N	279.427	4.572	70	10	CJIE	
FC(F)(F)c1cccc([C@H]2CCNC[C@H]2C2CCCC2)c1	160122571	FOHOIWYWNJWDKS-CVEARBPZSA-N	297.364	4.589	70	10	CJIE	
CC[C@@H]1CC[C@@H](NC)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	217658151	IDSQDYXBWZAWDU-SZVBFZGTSA-N	287.491	4.941	70	10	CJIE	
CCCN[C@@H](c1cccs1)[C@@H]1CCC[C@@H](C)C1	218012328	YVTRMAFIAGFARO-UMVBOHGHSA-N	251.439	4.615	70	10	CJIE	
CCOc1ccc([C@@H](C)N[C@@H](CC)C[C@@H](C)CC)cc1	218076200	VDYOLVNWZWPJSI-UXLLHSPISA-N	277.452	4.951	70	10	CJIE	
CCCCCN(C(C)C)[C@@H](C)[C@@H](NCC)c1ccccc1	218691128	WSJGTOWWWWGAAO-PKOBYXMFSA-N	290.495	4.626	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](c2ccc(C(F)(F)F)cc2)C1	218741605	PXDXAIPMIGSPFN-IVMMDQJWSA-N	299.380	4.964	70	10	CJIE	
C[C@H]1CCC[C@H](O[C@@]2(CNC(C)(C)C)CCC[C@@H](C)C2)C1	218762327	OUFTWIURIYYFMU-ZMMAXQRCSA-N	295.511	4.919	70	10	CJIE	
C=C(CN(C)[C@@H]1CCCCC12CCCCC2)[B-](F)(F)F	2110008681	CTDIKMWFFCHTHU-CQSZACIVSA-N	288.186	4.754	70	10	CJIE	
CC(C)CNC[C@H](CC(C)C)[C@@H]1C[C@@H]1c1ccccc1	159384670	JEKVBRBDZWIKKU-OTWHNJEPSA-N	273.464	4.698	70	10	CJIE	
CCCNCc1sc([C@H]2CC[C@H](CC)C2)nc1C1CC1	159509944	GDYHWTFBUHPINH-JSGCOSHPSA-N	292.492	4.814	70	10	CJIE	
CC[C@@H](C)c1ccccc1OCc1nc(C)cc(Cl)n1	159724728	HQMSJODMIPEZIQ-LLVKDONJSA-N	290.794	4.531	70	10	CJIE	
Cc1cccc(C)c1C[C@@H](CNCC(C)C)C1CCCC1	160014174	BCHBHLFCNBTBDW-IBGZPJMESA-N	287.491	4.898	70	10	CJIE	
CCc1cccc(C)c1N[C@@H]1CCc2ccc(C)cc21	160806936	IHGOXCXYLJMKGX-GOSISDBHSA-N	265.400	4.965	70	10	CJIE	
CN[C@H](c1cc2ccc(F)cc2s1)c1cc(C)ccc1C	161139117	HZWSKJOVGZJQOB-SFHVURJKSA-N	299.414	4.966	70	10	CJIE	
CC[C@@H]1CCc2nc(C[C@H](C)CC(C)(C)C)[nH]c2C1	216977193	WGSITFKTPUMARO-QWHCGFSZSA-N	262.441	4.539	70	10	CJIE	
CCN[C@H]1CC[C@@H](CC)C[C@@H]1Cc1ccc(Cl)cc1	217671541	IXZOEHIKWNHNNG-UNEWFSDZSA-N	279.855	4.687	70	10	CJIE	
COc1c(C)ccc(N[C@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c1C	218099227	YUPIRXAUJIEIOH-DXWTWGPWSA-N	285.431	4.549	70	10	CJIE	
CCCN[C@H](CCC)CO[C@H]1C[C@@H](C)CC[C@@H]1C(C)C	218784309	QLQHTJPRZQTXQY-MLHJIOFPSA-N	283.500	4.632	70	10	CJIE	
Cc1ccc(OC[C@@H]2CCC=CCCC2)c([B-](F)(F)F)c1	2163722013	VKKMHRCRTVEWFC-CQSZACIVSA-N	297.149	4.565	70	10	CJIE	
CCC[C@H](CC)COc1ccc([B-](F)(F)F)cc1CC	2353344311	AVDYHJSMUHPXKP-LBPRGKRZSA-N	287.154	4.509	70	10	CJIE	
CCCCc1ccc(Oc2ccnc(NCC)c2)cc1	159393508	DMLUCCOPUBYPMY-UHFFFAOYSA-N	270.376	4.648	70	10	CJIE	
CCCNC[C@@H](Cc1c(C)cc(C)cc1C)C1CCCC1	159944185	OFAVNDIMZOHSGZ-LJQANCHMSA-N	287.491	4.960	70	10	CJIE	
C[C@H]1CCC[C@H](CCNCc2ccc(Cl)cc2F)C1	160828410	XYMNFZRPOAKANK-QWHCGFSZSA-N	283.818	4.785	70	10	CJIE	
CCCc1c(CNC)oc2c(-c3ccccc3)cccc12	161157782	WZIWTOBSNWJJIP-UHFFFAOYSA-N	279.383	4.772	70	10	CJIE	
CC[C@H]1CCc2nc(C[C@H](C)CC(C)(C)C)[nH]c2C1	216977208	WGSITFKTPUMARO-STQMWFEESA-N	262.441	4.539	70	10	CJIE	
CCN[C@@H]1CC[C@@H](CC)C[C@@H]1Cc1ccc(C)c(C)c1	217667078	JTWRBLPIFBBNNU-BHIYHBOVSA-N	273.464	4.650	70	10	CJIE	
CC(C)CC(CC(C)C)N[C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217998775	VELWZRMNBBAFBD-RSRPTUBKSA-N	277.496	4.862	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1O[C@H](c1ccccc1)[C@@H](C)N	218251608	YZMVYJJPWVYOKF-XJWCYLOLSA-N	289.463	4.552	70	10	CJIE	
CCCCCC[C@H](C)O[C@@H](C)[C@@H](O)c1ccc(C)cc1	218552362	MIOAERMLLFPUOK-XYJFISCASA-N	278.436	4.792	70	10	CJIE	
CCCCCN(C)[C@@H](C)[C@@H](NCCC)c1ccc(C)cc1	218631306	CXQVWIQYSYBSKH-PKOBYXMFSA-N	290.495	4.546	70	10	CJIE	
CCCN[C@H](CS[C@@H]1CCC[C@H](C)C1)C1CCCC1	159367687	UDNSSJDOMIVHCG-USXIJHARSA-N	283.525	4.857	70	10	CJIE	
CCC(CC)(CNCC(C)C)[C@@H]1C[C@@H]1c1ccccc1	159426684	BRZZRMLWYOENNB-QZTJIDSGSA-N	273.464	4.842	70	10	CJIE	
CCSCC[C@H](C)Nc1ccc(C(F)(F)F)cc1	160314006	MCPYMCADXHJPBC-JTQLQIEISA-N	277.355	4.649	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)c1cc2c(s1)CCC2	160810091	WKHBWSPXCFXKNS-UHFFFAOYSA-N	292.403	4.929	70	10	CJIE	
CC(C)[C@H]1CCC[C@H](Nc2cccc(N(C)C)c2)CC1	161068376	PXAAKPSCXHGMDD-HOTGVXAUSA-N	274.452	4.769	70	10	CJIE	
CCc1ccc(C[C@H](N)c2csc3ccccc23)s1	161123860	AFGZJLYWURAMKL-HNNXBMFYSA-N	287.453	4.768	70	10	CJIE	
CCc1ccc(C[C@@H](C[C@H](C)CC(C)(C)C)NC)s1	161210834	MIONUVQVZSEWND-UONOGXRCSA-N	281.509	4.903	70	10	CJIE	
Cc1ccc(OC[C@H](C)N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1	218124633	ZGRBOJXORGDJEG-IKGGRYGDSA-N	289.463	4.567	70	10	CJIE	
CO[C@H]1CCCC[C@H]1N[C@H](c1cccs1)C1CCCC1	218260998	FURHSULYBRKTAY-VYDXJSESSA-N	293.476	4.527	70	10	CJIE	
CCC[C@H]1CC[C@@H](O)[C@H](O[C@@H]2C[C@@H](C)CC(C)(C)C2)C1	218553846	ORLNILKQNYLEOP-ZHCJQAHYSA-N	282.468	4.548	70	10	CJIE	
CCCN[C@@H](c1ccccc1)[C@@H](CC)N(C)[C@@H](C)CCC	218643275	MMDIUFFEJHUGMK-UHOSZYNNSA-N	290.495	4.626	70	10	CJIE	
CCCC[C@H](CC)C[C@H]1C[C@@H](CC)CC[C@@H]1CN	218656881	DZEAIGLNBYKDHT-NXOAAHMSSA-N	253.474	4.994	70	10	CJIE	
CCCNC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1ccccc1C	218759635	GFPKDODPFOBPRX-SUMDDJOVSA-N	289.463	4.631	70	10	CJIE	
CC(C)=C(COc1ccc(F)c(Cl)c1)[B-](F)(F)F	2301964684	MKRUCPNCUMJLDY-UHFFFAOYSA-N	281.465	4.581	70	10	CJIE	
Cc1cc(Cl)cc([C@@H](O)c2cccc(CC(C)C)c2)c1	159856790	WPJZQLUDOKJLTH-SFHVURJKSA-N	288.818	4.929	70	10	CJIE	
CCSCC[C@H](C)N[C@@H](C)c1ccc2c(c1)CCCC2	160027887	RTXAQDPCAKAMNM-GJZGRUSLSA-N	291.504	4.748	70	10	CJIE	
CN[C@H](c1cccc(C)c1Cl)c1c(C)cc(C)cc1C	160289882	VMKXRRDJQNHIJK-GOSISDBHSA-N	287.834	4.882	70	10	CJIE	
CCCN[C@@H](c1c(C)ccc2ccccc12)C(F)(F)F	160934154	WWEXVRMWDOWVGV-HNNXBMFYSA-N	281.321	4.751	70	10	CJIE	
CN[C@H](Cc1ccc(C(C)(C)C)cc1)c1ccc(C)s1	161258001	ZIPHAXXMOQJVKC-MRXNPFEDSA-N	287.472	4.857	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)c1cccc2ccccc12	161269009	MUNPKMVAAAJHDN-IBGZPJMESA-N	265.400	4.991	70	10	CJIE	
CCN[C@@H](Cc1ccc(C(C)(C)C)cc1)c1ccc(C)o1	161274824	YGWQJRYWRDSQBP-KRWDZBQOSA-N	285.431	4.779	70	10	CJIE	
Cc1ccc(F)c2oc(CNC(C)C)c(C(C)C)c12	161492916	JMMVBOWKPGHYLO-UHFFFAOYSA-N	263.356	4.502	70	10	CJIE	
CCC[C@H]1CC[C@H](NC)[C@@H](Cc2ccc(Cl)cc2)C1	217708839	UGTHZRGZJXVIAP-LXZKKBNFSA-N	279.855	4.687	70	10	CJIE	
Brc1c(C2CCCCC2)oc2c1CCC2	218343917	AXVOBGRLKSTNQQ-UHFFFAOYSA-N	269.182	4.579	70	10	CJIE	
CCCN[C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1N(C)[C@@H](C)CCC	218642309	GGEGFHAQVWZUGL-MHORFTMASA-N	296.543	4.690	70	10	CJIE	
CCN[C@@H](c1ccc(F)cc1)C1C2CC3CC(C2)CC1C3	160135789	ASRDBAAOEIVMPU-XCLWGWTNSA-N	287.422	4.549	70	10	CJIE	
Cc1cc(C)c([C@@H](O)C2C3CC4CC(C3)CC2C4)c(C)c1	160214136	ZOCJEMOZFXQUIB-AVHGTGSPSA-N	284.443	4.718	70	10	CJIE	
CCN[C@H](Cc1cccc(OC)c1)C[C@H](C)CC(C)(C)C	160644515	VWTTVDPXEGGCET-RDJZCZTQSA-N	291.479	4.678	70	10	CJIE	
Cc1cccc(NC(=O)Nc2c(F)cccc2Cl)c1C	217313119	FYEYLOXAAQMDKV-UHFFFAOYSA-N	292.741	4.740	70	10	CJIE	
CC[C@H](C)c1ccccc1OCCN[C@H]1CCC[C@@H](C)C1	217908691	YRTWLUKICYTXEU-IKGGRYGDSA-N	289.463	4.747	70	10	CJIE	
CCCN[C@H](c1ccc(F)c(F)c1F)[C@@H]1CCC[C@@H](C)C1	218012586	MKFMCOXENXWUKK-QFSBIZTOSA-N	299.380	4.971	70	10	CJIE	
Cc1ccc(N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1C	218070485	SJPXAWLVHPYOOV-UWWQBHOKSA-N	257.421	4.930	70	10	CJIE	
CCc1ccc(CN[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)s1	218141335	UMGNTHXPKYEEJB-YLQAJVPDSA-N	277.477	4.615	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](c2cc(C)c(C)cc2C)C1	218710977	RHRBXRXJQKLZOT-AOIWGVFYSA-N	273.464	4.871	70	10	CJIE	
CC(C)CCCOc1nc2ccccc2cc1CCl	20517596	COAVPVXQRGNXBL-UHFFFAOYSA-N	277.795	4.789	70	10	CJIE	
CCCc1ccc(C(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1	161177005	GLNRKFSOPQNWOE-KXBFYZLASA-N	288.431	4.807	70	10	CJIE	
CCCCCC1CCC(OB(O)C2=CCCCC2)CC1	198845283	AUBKEODDWGGHHS-UHFFFAOYSA-N	278.245	4.662	70	10	CJIE	
C[C@@H]1CCC[C@@H]([C@@H](O)Cc2ccc(C(C)(C)C)cc2)C1	217915994	RTQFVKXTLSKJHT-KYJSFNMBSA-N	274.448	4.714	70	10	CJIE	
CCN[C@@H](c1cc(C)ccc1C)[C@H]1CCC[C@@H](C)C1	218002614	ZDAJTSMERIJZHT-RPVQJOFSSA-N	259.437	4.780	70	10	CJIE	
CCCC[C@H](CC)CO[C@@H](C)[C@@H](O)c1ccc(C)cc1	218558200	CHBNEBXNHAKSBW-XYJFISCASA-N	278.436	4.650	70	10	CJIE	
C[C@@H]1C[C@H]1CCCCCN1CCC[C@H]([B-](F)(F)F)C1	2257294094	STDYNOKCBRWRLC-MCIONIFRSA-N	276.175	4.516	70	10	CJIE	
CCCNC[C@H](C1CCCC1)[C@H]1C[C@@H]1c1ccccc1	159492374	DRMURFVFTRXLOD-CEXWTWQISA-N	271.448	4.596	70	10	CJIE	
O[C@@H](Cc1ccc(F)c(F)c1)c1ccccc1C1CCC1	159996320	CJXUKZHAFDXMNC-SFHVURJKSA-N	288.337	4.508	70	10	CJIE	
CCc1ccc([C@@H](Cc2ccc(Cl)cc2Cl)NC)o1	160510369	CGOWVDFUXMYRCI-CQSZACIVSA-N	298.213	4.652	70	10	CJIE	
C[C@@H]1Nc2cccc(Cl)c2O[C@H]1c1ccc(Cl)cc1	160542235	JALULOOXHUFGPS-LKFCYVNXSA-N	294.181	4.928	70	10	CJIE	
Cc1cc(F)ccc1OCc1cccc2ccccc12	160711403	KQOZIHCPUPMTOX-UHFFFAOYSA-N	266.315	4.866	70	10	CJIE	
CCOC1(C(=O)C2CCCCCC2)CCC(C)(C)CC1	161256927	KCLVHPGINIRTRL-UHFFFAOYSA-N	280.452	4.901	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@@H](O)[C@@H](Cc2cccc(Cl)c2)C1	218307740	SSIRPMRJJBFECR-SQWLQELKSA-N	280.839	4.706	70	10	CJIE	
CCC[C@@H]1CCCN(CC(=C(C)C)[B-](F)(F)F)CC1	2317857765	SCSIVYGXKPDAPY-CYBMUJFWSA-N	276.175	4.612	70	10	CJIE	
CCC[C@H]1CC[C@H](CN2CC[C@H]([B-](F)(F)F)C2)CC1	2319655665	JQVUVUBJRUYIOI-IHRRRGAJSA-N	276.175	4.516	70	10	CJIE	
CC(C)NCC1([C@H]2C[C@H]2c2ccccc2)CCCCC1	159409535	OXVFRIBNSNUFLL-ROUUACIJSA-N	271.448	4.739	70	10	CJIE	
CC(C)[C@H]1CCC[C@@](O)(c2cccc3[nH]ccc23)CC1	159452289	CTNFGHQHNODJMW-KSSFIOAISA-N	271.404	4.592	70	10	CJIE	
CCSCC[C@H](C)N[C@H]1CCCCc2ccccc21	159986843	NEDUGFCGSZGGLW-YOEHRIQHSA-N	277.477	4.575	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](N)c1c(C)oc(C)c1C	160849607	HFCILIUYRRPLMG-IBGZPJMESA-N	279.383	4.715	70	10	CJIE	
CN[C@H](CC1=CCCCC1)c1ccc(OC(C)C)cc1	161266936	WRPAZNHZLNITHG-GOSISDBHSA-N	273.420	4.625	70	10	CJIE	
CCCc1ccc(C(=O)C2(OC)CCC(C)(C)CC2)cc1	161278155	GISGPSSLMFXCOD-UHFFFAOYSA-N	288.431	4.807	70	10	CJIE	
CCCc1c(CNCC)oc2c(C(C)(C)C)cccc12	161384160	KZLBDAIAFTURGM-UHFFFAOYSA-N	273.420	4.792	70	10	CJIE	
CC(C)CNCC1(C2=CCCCC2)CC2(CCC2)C1	161467705	PXCKIPWFYOFPCA-UHFFFAOYSA-N	261.453	4.683	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc(C(=O)c3ccco3)ccc21	161476250	AEMWIMIYCJPWMO-UHFFFAOYSA-N	282.383	4.860	70	10	CJIE	
Cc1c(Cl)nc(C2CC2)nc1O[C@H]1CC[C@@H](C)[C@@H](C)C1	217542600	WFAGYOMOKSJMJN-NRUUGDAUSA-N	294.826	4.519	70	10	CJIE	
CCCOc1ccc([C@H](NCC)[C@@H]2CCC[C@@H](C)C2)cc1	217995450	IEYQUVBKRDLCRO-SUMDDJOVSA-N	289.463	4.952	70	10	CJIE	
C=C(CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)[B-](F)(F)F	2044980659	XANWDSBCKHUEFQ-YRGRVCCFSA-N	275.143	4.551	70	10	CJIE	
CC1(C)CCC[C@H](CN2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)C1	2138382926	HAJTXTRHBVTNAY-GZBFAFLISA-N	288.186	4.516	70	10	CJIE	
CC(C)=C(CO[C@@H]1C[C@H](C)CC(C)(C)C1)[B-](F)(F)F	2317997686	KMPHBTASEDYMRN-NWDGAFQWSA-N	277.159	4.941	70	10	CJIE	
Cc1cc(Cl)cc([C@H](O)c2cccc(CC(C)C)c2)c1	159856651	WPJZQLUDOKJLTH-GOSISDBHSA-N	288.818	4.929	70	10	CJIE	
CCOC1(c2nc(C)c(CC)c(Cl)n2)CCCCCC1	160391354	VIXWMIKJFFDAST-UHFFFAOYSA-N	296.842	4.587	70	10	CJIE	
CCN[C@H](C)c1c(F)cccc1Oc1ccc(F)cc1C	160586908	FNJYPTWYUIOKBH-GFCCVEGCSA-N	291.341	4.736	70	10	CJIE	
c1ccc2c(CNc3ccc4c(c3)CCC4)coc2c1	161063647	SNJPLDJVEOCKRJ-UHFFFAOYSA-N	263.340	4.534	70	10	CJIE	
Cc1ccc2ccccc2c1CC[C@@H](C)CCNC1CC1	161112754	JRNBDKCVYRQASL-OAHLLOKOSA-N	281.443	4.859	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)Cc1c(F)cccc1Cl	161340534	CPXGYLLIBMVMFZ-AWEZNQCLSA-N	295.829	4.890	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)C)C[C@@H]1Cc1ccccc1Cl	217793389	JOAIMRVDKLIUFE-YSVLISHTSA-N	279.855	4.543	70	10	CJIE	
Cc1ccc(F)cc1N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218072034	VXQKSWJDAMTEDV-SRCQZFHVSA-N	261.384	4.761	70	10	CJIE	
CC[C@@H]1CCCC[C@H]1O[C@@]1(CNC(C)C)CCC[C@@H](C)C1	218747325	YQEGTZDTCHCXSI-MKXGPGLRSA-N	295.511	4.919	70	10	CJIE	
COc1cc(CCl)ccc1Sc1ccccc1	145405281	NGHLNZKULWEPGO-UHFFFAOYSA-N	264.777	4.585	70	10	CJIE	
CCCNC[C@@H](Cc1cc(C)cc(C)c1)C1CCCC1	159950764	BZKTVWKSZSPUIF-LJQANCHMSA-N	273.464	4.652	70	10	CJIE	
CC(C)c1ccc(C[C@H](CNC2CC2)C2CCCC2)cc1	159986030	WPODFSRENLDCGW-LJQANCHMSA-N	285.475	4.911	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1cccc2cnccc12	161316534	ZFOXESYYAXNTPJ-IBGZPJMESA-N	280.415	4.776	70	10	CJIE	
CC(C)[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)c1ccccc1	217642612	VCKZUVIXHHUYQJ-YJLNNSPDSA-N	283.415	4.890	70	10	CJIE	
CCC[C@@H]1CC[C@H](NCC)[C@@H](Cc2ccc(F)cc2F)C1	217714838	DINXAORMNNXFRJ-SIIHOXLZSA-N	295.417	4.702	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCCCNC1CCCCC1	217886829	YUAJSQYRYDNLJE-NEWSRXKRSA-N	295.511	4.776	70	10	CJIE	
Cc1ccc(N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1C	218070404	SJPXAWLVHPYOOV-QGPMSJSTSA-N	257.421	4.930	70	10	CJIE	
CCCNCc1sc(CS[C@@H](C)CC)nc1C1CC1	159513230	PKMKPCJSZUCWKU-NSHDSACASA-N	298.521	4.552	70	10	CJIE	
O[C@H](c1cc2cccc(Cl)c2o1)[C@H]1C[C@@H]1c1ccccc1	159655781	ONFPETOJQDUKDC-KEYYUXOJSA-N	298.769	4.923	70	10	CJIE	
CCN[C@H](c1c(Cl)cnn1C(C)C)[C@@H]1CC[C@@H](CC)C1	160595445	VXCMQGAYQIISOU-NFAWXSAZSA-N	297.874	4.594	70	10	CJIE	
CCSCC[C@H](C)n1c(C)cc2c1CC(C)(C)C[C@H]2O	160721033	CGNNNCDTKOKBGH-BLLLJJGKSA-N	295.492	4.507	70	10	CJIE	
CC(C)[C@H]1CCCC[C@@H]1NCc1cc(Cl)ccc1F	160874485	WEZCIDOXQXMBAB-ZBFHGGJFSA-N	283.818	4.784	70	10	CJIE	
CC(C)Cc1c(CNC(C)C)oc2ccc(Cl)cc12	161118576	OIMIKYDUZOOCGO-UHFFFAOYSA-N	279.811	4.783	70	10	CJIE	
Cc1cc(O)ccc1N[C@@H]1C[C@H](C)Sc2sccc21	217005659	CYNSPSGEONXRJT-IINYFYTJSA-N	291.441	4.800	70	10	CJIE	
CCN[C@@H](c1ccccc1OCC)[C@H]1CCC[C@@H](C)C1	217976481	GRYSCNXZPUQCEF-RVKKMQEKSA-N	275.436	4.562	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1c1cc(Cl)c(Cl)s1	1882178653	YIKNKDFNEQJRNF-IUYQGCFVSA-N	259.896	4.760	70	10	CJIE	
CC(C)=C(COCCCC[C@H]1C[C@H]1C)[B-](F)(F)F	2301966715	DYGIELJSFHTINK-NEPJUHHUSA-N	263.132	4.552	70	10	CJIE	
CCN[C@@H](CSCc1cccc(C)c1)C1CCCCC1	159370372	BZZVICHBRXLKTN-SFHVURJKSA-N	291.504	4.787	70	10	CJIE	
CCCC(CCC)[C@@H](O)c1cc2cccc(F)c2o1	159504623	QLKVDZJYQMDCOL-OAHLLOKOSA-N	264.340	4.822	70	10	CJIE	
CN[C@H](CCC1CCCC1)Cc1ccc(F)cc1Cl	160578919	CJHSDHNYVXVVHN-OAHLLOKOSA-N	283.818	4.580	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](N)c1sccc1Cl	160867184	GDSJWURDYOXVGH-HNNXBMFYSA-N	287.815	4.911	70	10	CJIE	
CN[C@@H](c1c(C)ccc2ccccc12)C1CCCC1	160905879	XYMOQUHMLYMTKB-GOSISDBHSA-N	253.389	4.599	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)Cc1cccc(F)c1Cl	161339146	SHDVLWIGRGVUDD-OAHLLOKOSA-N	295.829	4.890	70	10	CJIE	
C[SiH2]CCCCCCCCCC(Cl)Cl	199867734	LVAFBEYDMAJBSB-UHFFFAOYSA-N	255.305	4.546	70	10	CJIE	
CCOc1ccccc1[C@@H](C)N[C@@H]1CCCC[C@@H]1CC	217849205	IAOOAGQMGZLAEM-HLLBOEOZSA-N	275.436	4.705	70	10	CJIE	
CCOc1ccccc1N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218057899	HSLVIIKBJHUACD-QANKJYHBSA-N	273.420	4.712	70	10	CJIE	
CCN[C@H]1CC[C@H](C(C)(C)CC)C[C@@H]1N(C)CCC(C)C	218669264	VDSHZCPXMDRTQG-BZSNNMDCSA-N	296.543	4.547	70	10	CJIE	
CC[C@H]1CCCC[C@H]1OC[C@@H](NC)c1ccc(C)cc1C	218782066	QCVORPDVKGPEQU-QXAKKESOSA-N	289.463	4.549	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCCN(C[C@@H]2C[C@@H]2C2CCCCC2)C1	2135678827	XERYIBHCOFTFKK-RRFJBIMHSA-N	288.186	4.516	70	10	CJIE	
Cc1ccc(F)c([C@@H](O)c2ccccc2C2CCC2)c1F	160029837	LVEUWCCRHSVLEO-SFHVURJKSA-N	288.337	4.622	70	10	CJIE	
CN[C@@H](c1c(C)ccc2ccccc12)C1CCCCC1	160900229	BHYFSOCQZWQCPI-LJQANCHMSA-N	267.416	4.989	70	10	CJIE	
CCNCc1oc2cc3c(cc2c1C(C)(C)C)CCCC3	161450731	IRRJGRXWWNLYLR-UHFFFAOYSA-N	285.431	4.719	70	10	CJIE	
C[C@H]1CC[C@H](Nc2cc(Cl)nc(C(C)(C)C)n2)[C@@H](C)C1	217459843	NADLUFVCBWOAND-SRVKXCTJSA-N	295.858	4.664	70	10	CJIE	
Cc1nc(C)c([C@H](C)N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)s1	218483265	CQJLBSIARKUENT-PLNCSYRRSA-N	292.492	4.625	70	10	CJIE	
C[C@@H]1CCC[C@@H](OC[C@@H](O)c2ccc(C(C)(C)C)cc2)C1	218559542	HSZWLXOHBYHVNJ-ZTFGCOKTSA-N	290.447	4.613	70	10	CJIE	
C=C(CCN(C)[C@H](C)C1CCC(C)(C)CC1)[B-](F)(F)F	2112187438	YYEPAIRUCOWJJU-CYBMUJFWSA-N	290.202	4.856	70	10	CJIE	
F[B-](F)(F)[C@H]1CCCN(Cc2cc3ccccc3s2)C1	2133912470	IMVKQJUQHOYMOD-LBPRGKRZSA-N	298.162	4.715	70	10	CJIE	
C[C@@H](CN1CCC([B-](F)(F)F)CC1)C1CCCCC1	2223269000	ZKDZFIJIHNDPGT-LBPRGKRZSA-N	276.175	4.516	70	10	CJIE	
CC(C)NC[C@H](C1CCCC1)[C@H]1C[C@@H]1c1ccccc1	159492892	VQJLQDZHYMQGKU-CEXWTWQISA-N	271.448	4.595	70	10	CJIE	
CCOC1(c2nc(Cl)cc(C(C)(C)C)n2)CCCCC1	160374804	QSPQUEJQGPHLEV-UHFFFAOYSA-N	296.842	4.623	70	10	CJIE	
O=C(CC1=CCCCC1)C[C@H]1CCCc2ccccc21	161013125	MOVAGCZDGQPNAA-QGZVFWFLSA-N	268.400	4.956	70	10	CJIE	
CCC[C@@H]1CC[C@H](CNC(C)C)[C@H](c2cncc(C)c2)C1	161036161	IBUGAFZXGRIHJN-ZHALLVOQSA-N	288.479	4.688	70	10	CJIE	
CO[C@@H](C(=O)c1cccc2ccsc12)C1CCCCC1	161373006	AQPWOPHTRCIIOZ-MRXNPFEDSA-N	288.412	4.679	70	10	CJIE	
CC(C)[C@H]1CCC(=O)[C@@H](C/C=C\c2ccccc2)C1	217621404	IKJGSIQXBRNWJW-GCZRAQGHSA-N	256.389	4.731	70	10	CJIE	
CCCN[C@@H]1CC[C@@H](CCC)C[C@@H]1Cc1ccc(F)cc1	217738412	COCBFGAWEBQTHX-SZVBFZGTSA-N	291.454	4.953	70	10	CJIE	
CN[C@@H](Cc1ccc(C(C)C)cc1)[C@@H]1CCC[C@@H](C)C1	217967727	KAIKGVFURIIJEG-LZQZEXGQSA-N	273.464	4.767	70	10	CJIE	
FC(F)(F)c1cccc(Cl)c1N[C@H]1C[C@H]2CC=C[C@@H]12	217973482	WCYWRCWWDCIZQM-LNLATYFQSA-N	287.712	4.735	70	10	CJIE	
CC[C@@H]1CCCC[C@@H]1OC[C@@H](NC)c1ccc(C)cc1C	218781844	QCVORPDVKGPEQU-QRQLOZEOSA-N	289.463	4.549	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCCN(CC[C@@H]2CCCCC23CC3)C1	2264940268	LPPWWYXXWCYHHY-UONOGXRCSA-N	288.186	4.660	70	10	CJIE	
C[C@@](F)(c1ccc(-c2ccccc2)cc1)[C@H]1CCCNC1	159447544	GAGDCSNCDINIQR-RBUKOAKNSA-N	283.390	4.538	70	10	CJIE	
O=C(CC1=CCCCC1)c1cccc(OC(F)(F)F)c1	161016914	DZBBVQYWUIXPEN-UHFFFAOYSA-N	284.277	4.658	70	10	CJIE	
COc1cccc2ccc(CNc3ccc(Cl)cc3)nc12	161130266	WLVVCLREOWYTFY-UHFFFAOYSA-N	298.773	4.509	70	10	CJIE	
Cc1ccc(N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1N(C)C	161203698	PEXRNASDIWJYCT-BMGDILEWSA-N	288.479	4.934	70	10	CJIE	
CCO[C@H](C(=O)C1CCC(CC)CC1)C1CCCCC1	161484854	FXCSZSLDUDQOSO-JMLCCBQJSA-N	280.452	4.757	70	10	CJIE	
FC(F)(F)[C@@H]1CCc2nc(C3CCCCCC3)[nH]c2C1	216969480	WEYUAYHUWBQJJM-LLVKDONJSA-N	286.341	4.515	70	10	CJIE	
CC(C)C1CCC(N[C@@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)CC1	217576386	KLCBOCPAZCAPIZ-JFJANILLSA-N	275.480	4.616	70	10	CJIE	
CCc1ccc(N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1	218072385	QCWKXVQMACIZEF-QILLFSRXSA-N	257.421	4.876	70	10	CJIE	
CCCN[C@@H]1CC[C@@H](CCC)C[C@@H]1N(CC)C1CCCC1	218636844	YUKWCRNJCCYZHM-QRQLOZEOSA-N	294.527	4.588	70	10	CJIE	
CCN[C@@H]1CCCCCC[C@H]1N(C)C1CCC(CC)CC1	218687696	ZIWNAOAKUBNGJN-CSODTCANSA-N	294.527	4.588	70	10	CJIE	
CCNC[C@@H](O[C@@H]1CCCC[C@@H]1CC)c1cccc(C)c1	218746312	ACNIGGBUPQFVHR-QXAKKESOSA-N	289.463	4.631	70	10	CJIE	
Cc1ccccc1[C@@H](CNC(C)C)O[C@@H]1CCC[C@@H](C)C1	218759767	KUFLQRWDJXJVNW-SZVBFZGTSA-N	289.463	4.629	70	10	CJIE	
CC(C)=C(COC[C@@H]1CC[C@H]1C(C)(C)C)[B-](F)(F)F	2320145986	FRNUCPIQLLMYND-NWDGAFQWSA-N	277.159	4.798	70	10	CJIE	
CC(C)=C(CN(C)[C@H]1CCCC[C@@H]1C1CC1)[B-](F)(F)F	2340144003	IMEOTVXFIVKPNM-HIFRSBDPSA-N	288.186	4.610	70	10	CJIE	
CCOc1ccc(NCc2ccc([C@H]3C[C@H]3C)o2)cc1F	159496026	IUWCUNXHNGVDDA-RISCZKNCSA-N	289.350	4.553	70	10	CJIE	
CC(C)NCc1sc(C2CCCCCC2)nc1C1CC1	159526301	COBXQDOVBAJNFK-UHFFFAOYSA-N	292.492	4.956	70	10	CJIE	
CCCNC[C@H](Cc1cc(C)cc(C)c1)C1CCCC1	159950891	BZKTVWKSZSPUIF-IBGZPJMESA-N	273.464	4.652	70	10	CJIE	
CCOC1(C(=O)[C@@H]2CCC[C@H](CC)C2)CCC(C)CC1	161001706	USTGZKVFAHDKDL-BNQMIIOLSA-N	280.452	4.757	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)c1cccc(OC(F)(F)F)c1	161279658	UDNIAZVJCPLODF-HNNXBMFYSA-N	299.336	4.736	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@H](N)[C@@H](Cc2ccc(Cl)s2)C1	217749381	PFPVLYFFSCAWPE-MDZLAQPJSA-N	285.884	4.734	70	10	CJIE	
CSc1ccccc1N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218063634	PLSYJAJVRQRLOE-ZHMBSYLPSA-N	273.445	4.645	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCc1cc2ccccc2o1	218481076	ZYBUXSGGSREHQB-OLMNPRSZSA-N	285.431	4.983	70	10	CJIE	
CCCc1cccc([C@@H](O)[C@@H](CC)c2ccccc2)c1	159815957	SUSQRLLYZGDKTP-RBUKOAKNSA-N	268.400	4.866	70	10	CJIE	
O[C@@H](Cc1ccc(Cl)cc1F)CC1CCCCCC1	160409190	BHAUQVKSMRQFCX-OAHLLOKOSA-N	284.802	4.743	70	10	CJIE	
Clc1ccc(CSCCNCC2CCCCC2)cc1	160971655	ZUHLGFBOHKBHKQ-UHFFFAOYSA-N	297.895	4.743	70	10	CJIE	
CC(C)CNCc1oc2c(F)ccc(F)c2c1C(C)(C)C	161480710	ZTIBARPBDSELKE-UHFFFAOYSA-N	295.373	4.754	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1NCc1cc2c(s1)CCC2	218126449	OMXUFPTWEFHFEC-JQFCIGGWSA-N	291.504	4.787	70	10	CJIE	
CCN[C@@H]1CC[C@H](C(C)(C)CC)C[C@@H]1N(C)C[C@@H](C)CC	218636020	ODBVYYOMSKWLJN-FJIDUMEYSA-N	296.543	4.547	70	10	CJIE	
CC(C)(C)CC1CC(CN2CCC[C@@H]([B-](F)(F)F)C2)C1	2274310757	DEVYLDQSVMZPMP-JXQTWKCFSA-N	290.202	4.762	70	10	CJIE	
O[C@H](c1ccc(OC2CC2)cc1)c1cc2ccccc2s1	159913368	BEWINSQOBUOBSL-GOSISDBHSA-N	296.391	4.524	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](N)c1cccc(Cl)c1F	160847761	ZAHSPRMMIQMKDA-GOSISDBHSA-N	299.776	4.989	70	10	CJIE	
Cc1cncc([C@H]2CC(C)(C)CC[C@H]2CNCC(C)C)c1	161042507	RDBKOXNLBLSPFI-WMZOPIPTSA-N	288.479	4.546	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)c1ccc(OC(C)C)cc1	161267058	WRPAZNHZLNITHG-SFHVURJKSA-N	273.420	4.625	70	10	CJIE	
CCNCc1oc2c(C)ccc(Cl)c2c1CC(C)C	161493153	SIAZFSAWBZYCQP-UHFFFAOYSA-N	279.811	4.703	70	10	CJIE	
Clc1cccc(-c2cccc3c2NCC3)c1Cl	217040619	AGRXTZDLGXHIFX-UHFFFAOYSA-N	264.155	4.628	70	10	CJIE	
Cc1nc2cc(N[C@H]3C[C@H](C)CC[C@H]3C(C)C)ccc2[nH]1	218146806	UGSKIKNIDQYFBY-PVUWLOKVSA-N	285.435	4.744	70	10	CJIE	
CC1CCC(CN[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1	218207071	VOJMGXPHCPJAGA-JPHXMIBJSA-N	263.469	4.617	70	10	CJIE	
CC(C)[C@H]1CC[C@H](O)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	218314528	BRAZGONUZXDARF-LNLFQRSKSA-N	288.475	4.960	70	10	CJIE	
CCCC[C@@H](CC)CN1CC[C@@](C)([B-](F)(F)F)C1	2303159948	SGYSSENJUGCJTH-CHWSQXEVSA-N	264.164	4.516	70	10	CJIE	
Cc1ccsc1C(=O)c1c(C)ccc2ccccc12	160809135	QHBKNTDFFHZZLI-UHFFFAOYSA-N	266.365	4.749	70	10	CJIE	
CC(C)(C)c1ccc(C[C@H](N)CC2=CCCCC2)cc1	161202997	BRNVKUJSOSBSCL-GOSISDBHSA-N	271.448	4.744	70	10	CJIE	
Cc1ccsc1[C@H](N)Cc1ccc(C(C)(C)C)cc1	161280049	YLBGYZSXEOKKFG-OAHLLOKOSA-N	273.445	4.597	70	10	CJIE	
CCCN[C@@H]1CC[C@H](CCC)C[C@@H]1n1ccnc1C(C)C	216785454	BJLDXTNAWXWDKY-BBWFWOEESA-N	291.483	4.516	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NCC)[C@@H](Cc2ccc(CC)cc2)C1	217716674	PMRKXWRDGNDNSA-MISYRCLQSA-N	287.491	4.986	70	10	CJIE	
CCCCN([C@@H](C)CC)[C@H](c1cccc(Cl)c1)[C@@H](C)N	217830684	LCEAMRNDMNTXKC-VBQJREDUSA-N	296.886	4.629	70	10	CJIE	
CCCN[C@H](Cc1ccc(C)cc1)[C@@H]1CCC[C@@H](C)C1	218028418	UZANEGVJULJJKC-BHIYHBOVSA-N	273.464	4.732	70	10	CJIE	
Cc1ncsc1[C@H](C)N[C@H]1C[C@H](C)CC[C@H]1C(C)C	218161090	ZKMHIVJDNSXORR-UNQGMJICSA-N	280.481	4.563	70	10	CJIE	
CC[C@H]1CCCC[C@H]1O[C@H](c1cccc(C)c1)[C@@H](N)CC	218246765	IXBFUULUFUJOLM-GDAAHCPNSA-N	289.463	4.759	70	10	CJIE	
CC[C@H]1CC[C@H](CN2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)CC1	1879766509	FRHKDTOPBZGMTH-TUVASFSCSA-N	288.186	4.516	70	10	CJIE	
C[C@H](CN1CC[C@@H]2C[C@]2([B-](F)(F)F)C1)C1CCCCC1	1879766977	IJAISDRETPHIJZ-YUELXQCFSA-N	288.186	4.516	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1c1cc(Cl)ccc1Br	1885275063	RIUNGLDZEONZMZ-HTRCEHHLSA-N	298.318	4.807	70	10	CJIE	
C=C(CCO[C@@H]1CCC[C@H]2CCCC[C@@H]21)[B-](F)(F)F	2081123980	WQGINLDEDVTZBZ-HZSPNIEDSA-N	275.143	4.695	70	10	CJIE	
CC[C@H]1CCC[C@H](OCc2cccc([B-](F)(F)F)c2C)C1	2283572677	FPDMCXNZAMLSLG-ZFWWWQNUSA-N	299.165	4.535	70	10	CJIE	
COc1ccc(SCC(=C(C)C)[B-](F)(F)F)cc1	2301956001	OCJKQUYTNGHXBC-UHFFFAOYSA-N	275.124	4.510	70	10	CJIE	
CC[C@H](C)CNc1c(C)cc(C)cc1Br	159717570	VNRHDJXHZWIFBU-VIFPVBQESA-N	270.214	4.524	70	10	CJIE	
CCSCC[C@H](C)NC(c1ccccc1)c1ccccc1	159945549	DXWXOLZYHJINOU-INIZCTEOSA-N	299.483	4.897	70	10	CJIE	
CCCN[C@@H](CC1CCCCC1)c1cccc(F)c1F	161082605	MNWSGVVANJSBEC-INIZCTEOSA-N	281.390	4.976	70	10	CJIE	
COC1(C(=O)c2ccc(Cl)cc2F)CCC(C)(C)CC1	161268704	ALLSYVDGGCGXNE-UHFFFAOYSA-N	298.785	4.647	70	10	CJIE	
CC(C)c1csc2cccc(Br)c12	218195559	KSHFPXSKDMSEMG-UHFFFAOYSA-N	255.180	4.787	70	10	CJIE	
CC[C@@H](N)[C@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccc(C)o1	218263098	JZEUCOHCFUYWCW-MMTVNHQJSA-N	293.451	4.598	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@@H]1c1cccc(Br)c1Cl	1885275612	WGRVSBNLCORYID-RQJHMYQMSA-N	298.318	4.807	70	10	CJIE	
CCCCCCCCCN1CC[C@H]([B-](F)(F)F)C1	2303145305	VYSBRHQBSBITHF-ZDUSSCGKSA-N	264.164	4.660	70	10	CJIE	
CCC[C@@H]1CCC[C@@](O)(c2cccc3[nH]ccc23)CC1	159451648	HXJWUCHIJXFALB-KDOFPFPSSA-N	271.404	4.736	70	10	CJIE	
CC(C)CNC[C@H](CCOc1ccccc1)C1CCCC1	160012922	XGIKBWVEQJLUKO-SFHVURJKSA-N	289.463	4.508	70	10	CJIE	
Clc1cccc2nc(CCCNc3ccccc3)oc12	160422518	GIWMCBDULYZSNK-UHFFFAOYSA-N	286.762	4.526	70	10	CJIE	
Cc1ccc([C@@H](C)NCc2cc(Cl)ccc2F)c(C)c1	160771689	PGAGEOSUEXDIGT-CYBMUJFWSA-N	291.797	4.947	70	10	CJIE	
COC1(C(=O)Cc2ccc(C(C)C)cc2)CCC(C)CC1	160951311	FHVDYWWYJXRIQB-UHFFFAOYSA-N	288.431	4.517	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@]1(CO)Nc1ccc(Cl)cc1	218118789	VZQPKWPZYOOCTB-XKQJLSEDSA-N	295.854	4.575	70	10	CJIE	
CCC[C@@H]1CC[C@H](O)[C@@H](Cc2c(F)cccc2Cl)C1	218295246	YGVSEOVMFQJCAI-HSMVNMDESA-N	284.802	4.599	70	10	CJIE	
CC[C@@H]1CC[C@@H](N)[C@@H](c2ccc(-c3ccccc3)cc2)C1	218427843	DPBYQOCBYNWFOX-CDHQVMDDSA-N	279.427	4.975	70	10	CJIE	
CC[C@H]1CC[C@H](CN)[C@@H](C[C@@H]2CCCc3ccccc32)C1	218705005	QPFXHMAPGIVCJW-GDAAHCPNSA-N	285.475	4.898	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](c2cc(C)cc(C)c2)C1	218732671	MGIPDYMRDSDNTM-NUJGCVRESA-N	259.437	4.562	70	10	CJIE	
F[B-](F)(F)/C=C/c1cc(Cl)ccc1C(F)(F)F	393623001	ABAJKYRJYBVIBP-ONEGZZNKSA-N	273.392	4.759	70	10	CJIE	
CC(C)=C(CN(C)[C@H]1CCC[C@H](C)CC1)[B-](F)(F)F	2317863054	GNCZTVXUQWZSFP-STQMWFEESA-N	276.175	4.610	70	10	CJIE	
CCCOc1cccc(NCc2ccc(Cl)cc2F)c1	160714703	XASGDZYROXBFPR-UHFFFAOYSA-N	293.769	4.880	70	10	CJIE	
Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(C)c(F)c1)CC2	160834764	UTBYTBMMMLAPIH-AUUYWEPGSA-N	283.390	4.781	70	10	CJIE	
Cc1ccc([C@H](O)c2c(C)ccc3ccccc23)c(F)c1	160989035	BPGBYFCEVRBUEP-IBGZPJMESA-N	280.342	4.677	70	10	CJIE	
Cc1ccc(N[C@@H](C)c2c(F)cccc2F)cc1N(C)C	161154484	RJUZWSYSBVIJGR-LBPRGKRZSA-N	290.357	4.512	70	10	CJIE	
O[C@H](c1ccc2c(c1)CCC2)c1cc2ccc(F)cc2s1	161220262	QTBCRAORHMWBFZ-GOSISDBHSA-N	298.382	4.611	70	10	CJIE	
CCOC1(C(=O)CCc2ccsc2)CCC(C)(C)CC1	161245284	CPTMNRQQFANHEW-UHFFFAOYSA-N	294.460	4.625	70	10	CJIE	
CCCNCc1oc2c(Cl)cc(C)cc2c1CCC	161461327	HFYLBGRRMPMFHM-UHFFFAOYSA-N	279.811	4.847	70	10	CJIE	
CCCCN([C@@H](C)CC)[C@H](c1ccccc1Cl)[C@@H](C)N	217831861	UTMNGBQYXCHBEA-VBQJREDUSA-N	296.886	4.629	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1N[C@H](c1ccccc1)c1ccco1	217851510	SOKLZILVWQLIOX-VDZJLULYSA-N	283.415	4.927	70	10	CJIE	
CCC[C@@H]1CC[C@H](O)[C@@H](Cc2c(C)cc(C)cc2C)C1	218297610	SEDRWMIBGHJKOR-LMMKCTJWSA-N	274.448	4.732	70	10	CJIE	
CCC(C)(C)CCOc1cc(C)cc([B-](F)(F)F)c1C	686550615	AZTAXFHVSKWHFX-UHFFFAOYSA-N	287.154	4.563	70	10	CJIE	
CCC[C@@H]1CCCCN(CC(=C(C)C)[B-](F)(F)F)C1	2317849900	SAPHUUXZGNWKBT-CYBMUJFWSA-N	276.175	4.612	70	10	CJIE	
CC(C)c1ccc([C@@H]2CCNC[C@@H]2C2CCCC2)cc1	160114967	SMHVYPBWQJSABS-RBUKOAKNSA-N	271.448	4.693	70	10	CJIE	
CCCN[C@H](c1c(Cl)cnn1C(C)C)[C@@H]1CC[C@H](C)C1	160573018	DAIYQKZDZYXFKF-GUTXKFCHSA-N	297.874	4.594	70	10	CJIE	
Cc1cc(F)ccc1OC[C@@H]1CCCc2ccccc21	160714253	ZLQWDBQSMROHGZ-HNNXBMFYSA-N	270.347	4.633	70	10	CJIE	
CCN[C@@H](C)c1sc(-c2cc(F)cc(Cl)c2)nc1C	161271138	CJFLRDVINPWYQE-QMMMGPOBSA-N	298.814	4.582	70	10	CJIE	
CC[C@H]1NC[C@H](C)[C@@H](c2ccccc2)c2ccccc21	217947015	KIAYURMOVFHJOZ-KYNGSXCRSA-N	265.400	4.509	70	10	CJIE	
CC[C@@H](N[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)C1CCCCC1	218188712	ZCMRJYNSISFNNP-UIWVKPTASA-N	275.480	4.760	70	10	CJIE	
CC[C@@H]1CC[C@H](O)[C@@H](Cc2cccc3ccccc23)C1	218288720	CHCKUJIUIPRHCJ-BJZITVGISA-N	268.400	4.570	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](CN)[C@@H](Cc2ccccc2Cl)C1	218775991	LSMIITNSWDBGFG-CWRNSKLLSA-N	279.855	4.530	70	10	CJIE	
CC[C@H]1CC[C@H](COc2ccc([B-](F)(F)F)c(C)c2)CC1	2193122267	LWWCPUSRLROLHQ-HDJSIYSDSA-N	299.165	4.645	70	10	CJIE	
CCCN[C@@H](CC(C)(C)C)c1c(Cl)cnn1C(C)C	159737892	CYUSIDJJVGUAMK-ZDUSSCGKSA-N	285.863	4.594	70	10	CJIE	
CCC1([C@@H](O)c2cccc(C3CCC3)c2)CCCC1	160166970	WWEYNECFJASRIE-KRWDZBQOSA-N	258.405	4.958	70	10	CJIE	
Cc1cc(F)ccc1OCc1ccc(C(F)(F)F)cc1	160711570	IFADWFOLEWUCJV-UHFFFAOYSA-N	284.252	4.732	70	10	CJIE	
Cc1ccc2c(c1)-c1nc(C3(N)CCCCCC3)sc1C2	160866492	FGABOTWJEOQHNT-UHFFFAOYSA-N	298.455	4.531	70	10	CJIE	
CN[C@H]1CC[C@H](C(C)(C)C)C[C@@H]1Cc1cc(F)ccc1F	217754599	ZUDWLERTTKFXRO-ZQIUZPCESA-N	295.417	4.558	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)C)C[C@@H]1Cc1ccc(C)c(C)c1	217789344	WHFASUGGRVCVAF-GBESFXJTSA-N	273.464	4.506	70	10	CJIE	
CCC[C@H]1CC[C@H](CN)[C@H](S[C@@H]2CCC[C@@H](C)C2)C1	217855677	CZUURBQDFDWYEX-ZHCJQAHYSA-N	283.525	4.842	70	10	CJIE	
CC(C)c1ccccc1NC(=O)N/C=C/c1ccc(F)cc1	218184921	KTPXRNPXRPSWJU-VAWYXSNFSA-N	298.361	4.742	70	10	CJIE	
CC[C@@H]1CCCC[C@H]1O[C@H](c1ccc(Cl)cc1)[C@@H](C)N	218244201	TYEWLOCVXUKODZ-KFZJALRRSA-N	295.854	4.714	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@@H]1c1cc(Cl)cc(Br)c1	1885273255	AETDRMZNJAXGNA-BDAKNGLRSA-N	298.318	4.807	70	10	CJIE	
Cc1ccc(C23CC([B-](F)(F)F)(C2)C3)c(Cl)c1	1887484515	WEMAGZVTWJYAQK-UHFFFAOYSA-N	259.487	4.672	70	10	CJIE	
COc1cc(N[C@@H]2CCCCc3ccccc32)ccc1F	160051760	DFYVDAOTYZHJBC-QGZVFWFLSA-N	285.362	4.714	70	10	CJIE	
COc1cc(N[C@@H](C)c2cc(C)c(C)cc2C)ccc1F	160118691	XOBRXJHVBRJELQ-AWEZNQCLSA-N	287.378	4.933	70	10	CJIE	
CCC[C@@H]1CC[C@H](NCC)[C@H](C[C@@H]2CCC(C)(C)O2)C1	160588721	MGFMUWBGKYHXNJ-QZWWFDLISA-N	281.484	4.529	70	10	CJIE	
Fc1cc(F)c(F)c(NCc2cc(Cl)ccc2F)c1	160816169	NOBPOKXUNFYLSM-UHFFFAOYSA-N	289.659	4.509	70	10	CJIE	
CCN[C@@H](Cc1ccc(CC)s1)C[C@H](C)C(C)(C)C	161103696	MMHVWKDBXOKNKT-UONOGXRCSA-N	281.509	4.903	70	10	CJIE	
CCCN[C@@H](c1cccc(C)c1C)[C@H]1CCCCS1	161427900	CLEGQANHUMKKLY-SJORKVTESA-N	277.477	4.630	70	10	CJIE	
CCC[C@@H]1CC[C@@H](N)[C@@H](Cc2ccc(C(C)C)cc2)C1	217677300	QDOPJUJBKLGXAN-ATZDWAIDSA-N	273.464	4.896	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1N[C@H](CC)c1ccccc1OC	218150927	GNZVLFYZAXZJCB-UAGQMJEPSA-N	275.436	4.705	70	10	CJIE	
CCC(CC)[C@H](N[C@@H]1C[C@@H]2CC=C[C@H]21)c1ccccc1	218243365	CSSUXVLBYXKPOH-MANSERQUSA-N	269.432	4.718	70	10	CJIE	
CC(C)=C(CN(C)[C@H]1CCCCCC12CC2)[B-](F)(F)F	2340325900	ONELSNUZQCSTAU-AWEZNQCLSA-N	288.186	4.754	70	10	CJIE	
CNC[C@@H](Cc1ccc(C(C)(C)C)cc1)C1CCCC1	159923403	SSSROCCCIROQPU-QGZVFWFLSA-N	273.464	4.552	70	10	CJIE	
Cc1ccccc1CC(=O)c1c(C)ccc2ccccc12	160818775	AITIDYXQIOSROF-UHFFFAOYSA-N	274.363	4.882	70	10	CJIE	
CCC[C@@](C)(CNC(C)(C)C)C[C@@H]1CCC(C)(C)O1	160902635	TVSSGJWAKBWTEI-WMLDXEAASA-N	269.473	4.529	70	10	CJIE	
CCNCc1oc2ccc(C(C)(C)C)cc2c1C(C)C	161365254	BTPKRDSWXHGCJG-UHFFFAOYSA-N	273.420	4.963	70	10	CJIE	
CC[C@@H](C)c1ccccc1O[C@@H](C)[C@@H](O)c1ccccc1	217017260	KMMCDMHXUUPGLX-ZRGWGRIASA-N	284.399	4.701	70	10	CJIE	
Cc1ccc(C)c(C[C@]2(N)C[C@@H](C)CC[C@H]2C(C)C)c1	217881283	GWXRURWICPOVNP-ZYSHUDEJSA-N	273.464	4.636	70	10	CJIE	
C[C@H](c1cccs1)N(Cc1ccccc1)C[B-](F)(F)F	1915407215	MSJIBUYCNCUKKA-GFCCVEGCSA-N	298.162	4.698	70	10	CJIE	
COc1ccc([C@@H]2C[C@@H]2[B-](F)(F)F)c2ccccc12	2059004520	XWAPGNAYEKZDIM-STQMWFEESA-N	265.063	4.553	70	10	CJIE	
Cc1cccc(C)c1C[C@H](CNCC(C)C)C1CCCC1	160014288	BCHBHLFCNBTBDW-LJQANCHMSA-N	287.491	4.898	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)Cc1cccc(C(F)(F)F)c1	161291535	MAMKBCKKCPJJEL-INIZCTEOSA-N	297.364	4.726	70	10	CJIE	
CSc1ccc([C@@H](C)NC2[C@@H](C)CCC[C@H]2C)cc1	217618367	YOPFCBPMEVXVGN-IAPGTGOOSA-N	277.477	4.884	70	10	CJIE	
CCC[C@@H]1CC[C@H](NC)[C@@H](Cc2cc(C)cc(C)c2)C1	217699355	MZSCYVRXCWTOQI-QRQLOZEOSA-N	273.464	4.650	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1Cc1ccc(F)cc1F	217752261	DHSFZPUMGREPEK-JJRVBVJISA-N	295.417	4.558	70	10	CJIE	
CCN[C@@H]1CC[C@H](C(C)(C)CC)C[C@@H]1N(C)CCC(C)C	218669191	VDSHZCPXMDRTQG-KSZLIROESA-N	296.543	4.547	70	10	CJIE	
CC(C)NC[C@@]1(O[C@@H]2CCC[C@@H](C)C2)CCC[C@@H](C)C1	218762032	YZLHFPQWZGXEOL-BRSBDYLESA-N	281.484	4.529	70	10	CJIE	
F[B-](F)(F)/C=C\c1ccc(-c2cccs2)cc1	380914709	QMCHYLVYYNJHEU-FPLPWBNLSA-N	253.077	4.815	70	10	CJIE	
CCCCCCCCN1CCC[C@H]([B-](F)(F)F)C1	2016104345	VKBXUGSIYSDRMH-ZDUSSCGKSA-N	264.164	4.660	70	10	CJIE	
Cc1ccccc1Oc1ncc(Cl)cc1Br	159890964	DULQXPHWFKOWOT-UHFFFAOYSA-N	298.567	4.598	70	10	CJIE	
CCCC1CCC([C@H](N)c2c(Cl)cnn2C(C)C)CC1	160496965	SLDXWNWODGSCGV-PIMMBPRGSA-N	297.874	4.724	70	10	CJIE	
CN[C@H](CC1=CCCCC1)[C@@H]1CCOC2(CCCCC2)C1	161281543	BJRQKSDDFYVDOJ-QZTJIDSGSA-N	291.479	4.594	70	10	CJIE	
CCN[C@H](CCCc1ccccc1)CC1=CCCCC1	161342479	YUYGZGWUBFEMOG-LJQANCHMSA-N	271.448	4.878	70	10	CJIE	
COCc1c(CNC(C)C)oc2c(C(C)C)ccc(C)c12	161407273	LQRHGFUNEOHIHP-UHFFFAOYSA-N	289.419	4.509	70	10	CJIE	
C[C@@H]1CCCc2[nH]c(CC34CC5CC(CC(C5)C3)C4)nc21	216831695	QMQNAUXGJUHDGG-XUXNNNHQSA-N	284.447	4.608	70	10	CJIE	
C[C@H]1C[C@@H](Nc2ccc(O)c(F)c2)c2ccsc2S1	217002267	PAXDWGZSCKQXIS-QPUJVOFHSA-N	295.404	4.630	70	10	CJIE	
F[B-](F)(F)[C@]12C[C@H]1CCN(CCCC1=CCCCC1)C2	2340998823	VVASTKNMFBTHSM-CABCVRRESA-N	286.170	4.580	70	10	CJIE	
Cc1ccc2ccccc2c1CCCCCNC1CC1	161112619	RCSQNQHMQQOIGU-UHFFFAOYSA-N	267.416	4.613	70	10	CJIE	
CC(C)Cc1c(CNC(C)C)oc2c(Cl)cccc12	161154334	OWANBOMODFFGKM-UHFFFAOYSA-N	279.811	4.783	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)Cc1cc(F)ccc1F	161390882	VTDFPXZRKCIJIG-KRWDZBQOSA-N	293.401	4.766	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1NCc1ccc([C@@H]2C[C@@H]2C)o1	217868723	BATSAXYJIMZELD-XWJBARJFSA-N	289.463	4.953	70	10	CJIE	
C[C@H]1CCC[C@@H]([C@@H](N)c2ccc(C(C)(C)C)cc2)C1	217953734	JIRGWLZRDBGJOC-LXZKKBNFSA-N	259.437	4.810	70	10	CJIE	
Cc1ccc(N[C@H]2C[C@H](C)CC[C@H]2C(C)C)c(C)c1O	218118272	ZJNZPWVDDACLCI-PVUWLOKVSA-N	275.436	4.882	70	10	CJIE	
CCC[C@H](NCc1cccc2cc[nH]c12)c1cccs1	218135663	YHLYVTVDPSLNMY-HNNXBMFYSA-N	284.428	4.860	70	10	CJIE	
CC[C@H]1CCCC[C@H]1O[C@H](c1ccc(C)cc1)[C@H](N)CC	218243770	GCHCOQUMUKFCIZ-JCHJZTRSSA-N	289.463	4.759	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCc1ccc(N)cc1Cl	218249690	HHSKFBIZMOCBFO-PVUWLOKVSA-N	295.854	4.900	70	10	CJIE	
C[C@H](N[C@H]1CCSC1)c1ccc(-c2ccccc2)cc1	218588510	OGEGASDEAGUYJM-KSSFIOAISA-N	283.440	4.510	70	10	CJIE	
CC[C@@H]1CC[C@H](CN)[C@@H](Cc2ccc(C(C)C)cc2)C1	218633921	APZHMWBNDGXWHL-ATZDWAIDSA-N	273.464	4.754	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](CN)[C@@H](c2cccc3ccccc23)C1	218770800	PPSWXYUXTWFOSQ-UWVAXJGDSA-N	281.443	4.954	70	10	CJIE	
CC(C)=C(CN1C[C@H](C2CCC2)CC[C@@H]1C)[B-](F)(F)F	2340329833	YSBZHLMZTLFACF-GXTWGEPZSA-N	288.186	4.610	70	10	CJIE	
Cc1cc(C(=O)C2C3CC4CC(C3)CC2C4)cc(C)c1F	160116212	OFCJXBISZZKPHK-UHFFFAOYSA-N	286.390	4.698	70	10	CJIE	
CCN[C@@H](Cc1ccc(F)cc1Cl)C1C(C)(C)C1(C)C	160618594	KAYIZIJVSHFHIB-AWEZNQCLSA-N	297.845	4.682	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](N)c1c(C)oc(C)c1C	160849737	HFCILIUYRRPLMG-LJQANCHMSA-N	279.383	4.715	70	10	CJIE	
CCCC[C@@](CC)(CNCC)C[C@H]1CCC(C)(C)O1	160905035	CKVIUVRGWVZCJU-NVXWUHKLSA-N	269.473	4.530	70	10	CJIE	
CCCNCc1oc2c(OCCC)cccc2c1C(C)C	161399341	UBOFIVNBZPSJIY-UHFFFAOYSA-N	289.419	4.845	70	10	CJIE	
C1=C(C2(CNC3CC3)CC(c3ccccc3)C2)CCCC1	161460018	UMVQCYFRFXJKSK-UHFFFAOYSA-N	281.443	4.803	70	10	CJIE	
Cc1cc(C#N)ccc1-c1ccc(OCCCCl)cc1	166432692	PPETXDZTKKMVHU-UHFFFAOYSA-N	285.774	4.541	70	10	CJIE	
CCC[C@H]1CC[C@@H](NCC)[C@@H](Cc2ccccc2C)C1	217721787	GKXPSPVTBJLVCL-QXAKKESOSA-N	273.464	4.732	70	10	CJIE	
C=C(CCN(C)[C@@H]1CCC[C@H](CC)CC1)[B-](F)(F)F	2044973064	UOJYMXGRLKWBKY-UONOGXRCSA-N	276.175	4.610	70	10	CJIE	
CC(C)=C(CN(C)[C@H](C)[C@@H]1CCC[C@H](C)C1)[B-](F)(F)F	2340312729	JUAINSFRLWGOMK-BFHYXJOUSA-N	290.202	4.856	70	10	CJIE	
CC(C)(C)NCC1([C@@H]2C[C@@H]2c2ccccc2)C[C@H]2C[C@@H]2C1	159476603	PFDBOSKDUFFMHT-BRSBDYLESA-N	283.459	4.595	70	10	CJIE	
FC(F)(F)c1ccc([C@@H]2CCNC[C@H]2C2CCCC2)cc1	160121373	ZFZSIXWWXMGMNW-HOTGVXAUSA-N	297.364	4.589	70	10	CJIE	
O[C@@H](Cc1ccc(F)c(F)c1)c1cccc(C2CCC2)c1	160162660	RQVVEJMMNMRNJX-SFHVURJKSA-N	288.337	4.508	70	10	CJIE	
CC[C@H](C)c1ccccc1NC(=O)Nc1cccs1	217305881	NBKOTSNXOZMUOZ-NSHDSACASA-N	274.389	4.906	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@@H](N)[C@@H](CCCOc2ccccc2)C1	217740632	HFWKYENPOKEHEG-LZLYRXPVSA-N	289.463	4.635	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(CN(C)C)cc1	218154291	FLXBHQRFHQPWOW-MNEFBYGVSA-N	288.479	4.621	70	10	CJIE	
CCC1(CC)C[C@@H](N[C@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CCO1	218645340	VQDPFHBSAYNCIH-OVWQWFNUSA-N	293.495	4.529	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1	1882184252	JBMLKPBOGQWIOH-JKSUJKDBSA-N	291.101	4.971	70	10	CJIE	
CC(C)=C(CO[C@@H]1CCCc2ccccc21)[B-](F)(F)F	2340159766	HNUPWWQAQVIPGB-OAHLLOKOSA-N	283.122	4.804	70	10	CJIE	
CCC(CC)(CNC(C)(C)C)[C@H]1C[C@@H]1c1ccccc1	159426232	TZZXVTUEXTVDCV-SJORKVTESA-N	273.464	4.985	70	10	CJIE	
CCN[C@@H](Cc1ccc(F)cc1)c1cccc(C)c1Cl	160356341	SWTZTNCWQCWRNT-INIZCTEOSA-N	291.797	4.681	70	10	CJIE	
CCC[C@@H](C)C[C@@H](O)c1ccc(Cl)c2cccnc12	160426736	QIYFOBSRSBBZGT-IAQYHMDHSA-N	277.795	4.748	70	10	CJIE	
CN[C@H](c1sccc1OC)c1c(C)ccc2ccccc12	160893859	KKNLJVYARCKHBQ-KRWDZBQOSA-N	297.423	4.527	70	10	CJIE	
CC[C@H](C)c1ccccc1NC(=O)N/C=C/c1ccccc1	217649561	OYRUFHUKTJULBG-BUYIWHAFSA-N	294.398	4.993	70	10	CJIE	
N[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1Cc1cccc(Cl)c1	217766848	JPDMLNLAUZGGIL-ZIFCJYIRSA-N	299.845	4.794	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCCNCC1CCCCC1	217894904	GMOJDAPDUOJYBG-NEWSRXKRSA-N	295.511	4.634	70	10	CJIE	
FC(F)(F)c1cccc(Cl)c1N[C@@H]1C[C@H]2CC=C[C@H]21	217973397	WCYWRCWWDCIZQM-KBVBSXBZSA-N	287.712	4.735	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@H]1N[C@H](C)Cc1ccsc1	218141254	HWCAWJWPIKLTHV-XOSAIJSUSA-N	279.493	4.730	70	10	CJIE	
C[C@H]1CCC[C@@H]1N[C@H](c1cccs1)C1CCCC1	218208251	DPTUXJXOZXALPX-NOLJZWGESA-N	263.450	4.758	70	10	CJIE	
CC[C@@H](C)[C@@H](C)Oc1ccc2ccccc2c1[B-](F)(F)F	319646325	QYJBSKGPOWETRA-VXGBXAGGSA-N	295.133	4.708	70	10	CJIE	
F[B-](F)(F)/C=C\c1cc(Cl)ccc1Br	382600051	NXBBGPQGFBJIOG-ARJAWSKDSA-N	284.291	4.502	70	10	CJIE	
CC(C)c1ccccc1C12CC([B-](F)(F)F)(C1)C2	1887484449	OLJBIFFSXFGKHY-UHFFFAOYSA-N	253.096	4.833	70	10	CJIE	
CCC1([C@@H](O)c2cc3cc(F)ccc3o2)CCCC1	159394346	MCCRKOWYERQBQE-HNNXBMFYSA-N	262.324	4.576	70	10	CJIE	
CC(C)(C)[C@@](F)(CN)c1ccc(-c2ccccc2)cc1	159487392	GSOKPNDGRVUJQH-GOSISDBHSA-N	271.379	4.523	70	10	CJIE	
CCSCC[C@@H](C)N[C@H](C)c1ccc2c(c1)CCCC2	160027992	RTXAQDPCAKAMNM-HUUCEWRRSA-N	291.504	4.748	70	10	CJIE	
CCCN[C@H](Cc1cccs1)[C@@H](CC)c1ccccc1	160648592	QQPZLSZMAPVBHB-ZWKOTPCHSA-N	287.472	4.853	70	10	CJIE	
CSc1ccc([C@H](N)c2c(C)ccc3ccccc23)cc1	160881094	QIVIIUBXBIYLMO-IBGZPJMESA-N	293.435	4.918	70	10	CJIE	
Cc1cc(C)c(CNc2ccc(C)c(N(C)C)c2)cc1C	161169487	SEWCFSSIELRBNN-UHFFFAOYSA-N	282.431	4.598	70	10	CJIE	
CCN[C@@H]1CC[C@H](CC)C[C@@H]1Cc1ccccc1Cl	217672643	VEZIXKXSNYOIEE-YSVLISHTSA-N	279.855	4.687	70	10	CJIE	
CCCCC[C@H](C)NCCO[C@H]1C[C@@H](C)CC(C)(C)C1	217912834	QQMCFUAQVRYRMS-IKGGRYGDSA-N	283.500	4.776	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](O)[C@@H](C/C=C/c2ccccc2)C1	218322327	ULYRTCMRPPTVQH-PSBJXWQHSA-N	258.405	4.523	70	10	CJIE	
CC[C@@H](C)c1ccccc1NC(=O)NC=C1CCCC1	218776896	YHKQUBXBQNYZIN-CYBMUJFWSA-N	272.392	4.780	70	10	CJIE	
COC1(c2nc(C)c(C(C)C)c(Cl)n2)CCCCCC1	160410934	ZQGLRQHCZLWKKZ-UHFFFAOYSA-N	296.842	4.758	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](N)c1cc2c(s1)CCC2	160844325	ZUTRBLBKMWEHGW-LJQANCHMSA-N	293.435	4.747	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1cccc2ncccc12	161360522	ALEZGBWNFWAUNB-IBGZPJMESA-N	280.415	4.776	70	10	CJIE	
CC[C@H](C)c1ccc(OCc2cccc(F)c2)cc1	217399577	ZJHJZKRYSFMXKU-ZDUSSCGKSA-N	258.336	4.918	70	10	CJIE	
CC(C)CC[C@@H](C)NCCO[C@@H]1C[C@@H](C)CC(C)(C)C1	217912365	JPVVCWKVYGFURK-BRWVUGGUSA-N	283.500	4.632	70	10	CJIE	
COc1ccc(Cl)cc1N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218068404	QXIJYACGAOMIEU-XNJJOIOASA-N	293.838	4.975	70	10	CJIE	
O=C(NC=C1CCCCC1)Nc1cc(Cl)cc(Cl)c1	218691572	XAFUTSMCZLACSV-UHFFFAOYSA-N	299.201	4.963	70	10	CJIE	
CCN[C@H](CO[C@@H]1CCCC[C@@H]1CC)c1ccccc1C	218781689	ZNFAIDXZFWAIEC-QXAKKESOSA-N	289.463	4.631	70	10	CJIE	
CCCc1cccc([C@H](O)c2cccc(C)c2Cl)c1	159829848	MKQMKVHBHPHIPD-KRWDZBQOSA-N	274.791	4.683	70	10	CJIE	
COc1cc(N[C@@H](C)c2cc(C)cc(C)c2)ccc1F	159926366	JLVBYDJEEZMFAM-ZDUSSCGKSA-N	273.351	4.624	70	10	CJIE	
Fc1ccc(Cl)cc1CNc1ccc2[nH]ccc2c1	160664471	PNECLWXWDUOTCW-UHFFFAOYSA-N	274.726	4.573	70	10	CJIE	
Cc1ccc2c(c1)[C@H](N[C@@H](C)Cc1ccccc1C)CC2	160809540	UCCPBYWBCZISRR-OXJNMPFZSA-N	279.427	4.512	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](O)c1c(F)cccc1F	160971885	SMNUGCCXOVWPKA-GOSISDBHSA-N	284.305	4.508	70	10	CJIE	
CCC[C@H]1CC[C@@H](NC)[C@@H](Cc2ccc(Cl)s2)C1	217710634	CMVDWZBZOPBIKP-OUCADQQQSA-N	285.884	4.748	70	10	CJIE	
CC(C)[C@@H](N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1cccs1	217887655	VATACIGVZYOUDQ-HLPPOEQASA-N	265.466	4.860	70	10	CJIE	
CCCN[C@@H](c1ccc(OCC)cc1)[C@H]1CCC[C@@H](C)C1	218008870	ZJOHQJAHTIBUEZ-AYBZRNKSSA-N	289.463	4.952	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@@H]1c1ccc(Cl)c2cccnc12	2009405028	UGXHYEKMZXFHMG-ZJUUUORDSA-N	270.470	4.593	70	10	CJIE	
CCCCC[C@H](NCCC)c1ccc(Cl)cc1OC	159609747	SDAXCSAQTNYALV-HNNXBMFYSA-N	283.843	4.970	70	10	CJIE	
COc1cc(N[C@H]2CCC[C@@H](C(C)C)CC2)ccc1F	159971111	YPPVJJTVQAKEJD-KGLIPLIRSA-N	279.399	4.851	70	10	CJIE	
CCC[C@H]1CCC[C@@H](Nc2ccc(F)c(OC)c2)CC1	160130660	AEUXNALTAGNHAZ-UONOGXRCSA-N	279.399	4.995	70	10	CJIE	
CCCCC1CCC([C@@H](NCCC)C2=CCCO2)CC1	160764792	KZEKDUJVOYCYAT-LEOMRAHMSA-N	279.468	4.655	70	10	CJIE	
COC1(C(=O)c2ccc(C(C)C)cc2)CCCCCC1	161328612	HKIANBZOCJRITF-UHFFFAOYSA-N	274.404	4.732	70	10	CJIE	
CNCc1oc2c(C(C)(C)C)cccc2c1C(C)(C)C	161385810	UTAORWXTQPPFML-UHFFFAOYSA-N	273.420	4.747	70	10	CJIE	
Cc1c(Cl)nnc(O[C@H]2C[C@H](C)CC[C@H]2C(C)C)c1C	217906849	LBAQVVBXNLNIEV-SWHYSGLUSA-N	296.842	4.586	70	10	CJIE	
CCCC[C@@H](CC)CO[C@H](c1ccc(C)o1)[C@@H](N)CC	218268059	HDQHCMISHQZLDZ-VYDXJSESSA-N	281.440	4.599	70	10	CJIE	
CC[C@H](C)[C@@H](c1ccccc1)[C@@H](O)c1sccc1C	218305378	SZIJFJDHOKIODG-VBNZEHGJSA-N	274.429	4.920	70	10	CJIE	
CC(C)NC[C@H]1CC[C@@H](C)C[C@@H]1c1cc(F)ccc1Cl	218521369	NIISVPXZCVCRNK-NFAWXSAZSA-N	297.845	4.997	70	10	CJIE	
CCCN[C@@H](C)c1sc([C@@H]2CCC[C@@H](C)C2)nc1C	218583092	IQLPOAJMJNIBJA-MBNYWOFBSA-N	280.481	4.806	70	10	CJIE	
CCCCN(C1CC1)[C@H]1C[C@@H](CCC)CC[C@@H]1NCCC	218676604	LFUQEUDBQSAUFZ-WDSOQIARSA-N	294.527	4.588	70	10	CJIE	
C=C(CCN(C)Cc1ccc2sccc2c1)[B-](F)(F)F	2120686118	IYQSRTDRBSIFJH-UHFFFAOYSA-N	298.162	4.666	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCCN(C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2225291191	XYMRZYCIZNIWCK-LXTVHRRPSA-N	288.186	4.516	70	10	CJIE	
CC(C)=C(CN(C)C[C@H]1CCC[C@H]1C(C)C)[B-](F)(F)F	2340152025	JFLVRBSJAZXFDU-KGLIPLIRSA-N	290.202	4.714	70	10	CJIE	
CCCN[C@H](CSCc1cccc(C)c1)C1CCCC1	159372758	MEAKAEMWFTWFAV-GOSISDBHSA-N	291.504	4.787	70	10	CJIE	
Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H](C3CC3)C2)cc1	159913955	QKZPVIRXCPREPE-BMGDILEWSA-N	257.421	4.614	70	10	CJIE	
CCCCN([C@@H](C)CC)C(CN)(CC(C)C)CC(C)C	161060854	XMAWYHMLZBOHDB-KRWDZBQOSA-N	284.532	4.677	70	10	CJIE	
CCCN[C@H](Cc1ccc(CC)s1)C1[C@H]2CCCC[C@H]12	161128625	XPOQJEUVFXVSNR-YESZJQIVSA-N	291.504	4.657	70	10	CJIE	
CCNCC1(C2=CCCCC2)CC2(CCCCC2)C1	161448526	OYXILBXEHVETBG-UHFFFAOYSA-N	261.453	4.827	70	10	CJIE	
CCCN[C@@H](c1cc(OC)cs1)c1cc(C)sc1C	161505779	PPTLAGFTRBHFLK-OAHLLOKOSA-N	295.473	4.524	70	10	CJIE	
F[B-](F)(F)CN1c2ccccc2Sc2ccccc21	203447469	ANMRBEBDLOGAHF-UHFFFAOYSA-N	280.103	4.676	70	10	CJIE	
CC[C@@H](C)[C@H](c1ccccc1)[C@@H](N)c1sccc1C	218302336	KUDWRPXKJWTVPP-DAXOMENPSA-N	273.445	4.886	70	10	CJIE	
Cc1ccc(OCCCCC[C@@H]2C[C@H]2C)c([B-](F)(F)F)c1	2284872474	UTXWIHLDTMOKPA-ZIAGYGMSSA-N	299.165	4.645	70	10	CJIE	
CC(C)=C(COC[C@@H]1C[C@H]1c1ccccc1)[B-](F)(F)F	2340165219	ZDTNTOCWPIPZEP-KBPBESRZSA-N	283.122	4.530	70	10	CJIE	
Cc1ccc([C@@H](O)c2cc3cccc(F)c3o2)cc1Cl	159506271	ZSDTZMOZUNJWGE-OAHLLOKOSA-N	290.721	4.615	70	10	CJIE	
FC(F)(F)c1ccccc1[C@H]1CCNC[C@H]1C1CCCC1	160127420	WVUIENJUOBOPQO-HIFRSBDPSA-N	297.364	4.589	70	10	CJIE	
CC(C)[C@H]1Nc2ccc(Cl)cc2O[C@H]1c1ccccc1	160561043	UJCJLZIZRBCQOX-SJORKVTESA-N	287.790	4.910	70	10	CJIE	
CCOC1(C(=O)c2cc(F)ccc2C)CCC(C)(C)CC1	161244476	FEQCDLRMPIOJBU-UHFFFAOYSA-N	292.394	4.692	70	10	CJIE	
CCCNCc1oc2ccc(CC)cc2c1CC(C)C	161368462	YYCRPFDLASDWLE-UHFFFAOYSA-N	273.420	4.693	70	10	CJIE	
CCCCCCCCOc1ccc([B-](F)(F)F)c(F)c1	203555679	ZXXLMOUFAMCXCP-UHFFFAOYSA-N	291.117	4.619	70	10	CJIE	
CCCN[C@H](c1ccc(OCC)cc1)[C@H]1CCC[C@@H](C)C1	218008776	ZJOHQJAHTIBUEZ-HHXXYDBFSA-N	289.463	4.952	70	10	CJIE	
COc1ccc([C@@H](C)N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1	218075793	AIZUJFJEAJSBAW-ZSFPCNDZSA-N	287.447	4.561	70	10	CJIE	
C[C@H]1CCN([C@@H]2CCCCCCCCCC[C@@H]2O)[C@@H](C)C1	218535309	YFHUCNXXKWTUOD-OKYOBFRVSA-N	295.511	4.751	70	10	CJIE	
CCCNc1cc(Oc2cccc3ccccc23)ccn1	159372427	UUSUDRQSZBNXPW-UHFFFAOYSA-N	278.355	4.849	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](N)[C@H]1C[C@@H]2CC[C@@H]1C2	160849218	PRUBGQFXKGVYMV-OVLVRJBISA-N	265.400	4.584	70	10	CJIE	
CC[C@H](C)c1ccccc1NC(=O)NCc1cccs1	217301461	CRIDNSLJXQCMJJ-LBPRGKRZSA-N	288.416	4.583	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCCCNc1ccccc1	217887379	NVKINLNAXILJNA-UHOSZYNNSA-N	289.463	4.966	70	10	CJIE	
C[C@H]1CCC[C@H]([C@@H](O)c2ccc(C(C)(C)C)cc2)C1	217919626	GPYWHKULEAKNSU-QRTARXTBSA-N	260.421	4.844	70	10	CJIE	
Cc1ccc(F)c(N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1	218094236	QFJLVEPFHXRALS-YLQAJVPDSA-N	261.384	4.761	70	10	CJIE	
C[C@@H]1C[C@@H](N[C@H](C)CCc2ccc(O)cc2)CC(C)(C)C1	218149764	HSISWIGSPSWJAW-BFYDXBDKSA-N	289.463	4.518	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(CN(C)C)cc1	218154366	FLXBHQRFHQPWOW-LZQZEXGQSA-N	288.479	4.621	70	10	CJIE	
C[C@@H](Cc1ccc(F)cc1)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218203409	LXSPWFLPRINENK-YMFLFHJQSA-N	289.438	4.561	70	10	CJIE	
CCC[C@H]1CC[C@H](O)[C@@H](Cc2c(C)cc(C)cc2C)C1	218297670	SEDRWMIBGHJKOR-SCTDSRPQSA-N	274.448	4.732	70	10	CJIE	
CCc1ccc([C@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)cc1	218553465	RXEOYAZOKUVAHK-FHLIZLRMSA-N	290.447	4.514	70	10	CJIE	
CCCCCC[C@H](C)O[C@]1(CNC)CCC[C@@H](C)C1	218757083	QOHWGIVXDJKKEA-IXDOHACOSA-N	269.473	4.530	70	10	CJIE	
CCc1ccc([C@H]2Oc3cc(Cl)ccc3N[C@H]2C)cc1	160563605	XWEATRABHUJLSG-GTNSWQLSSA-N	287.790	4.837	70	10	CJIE	
CC[C@@H](N)Cc1ccc(Oc2ccc(F)cc2C)c(C)c1	160708342	WELFEJGRMZLBIS-MRXNPFEDSA-N	287.378	4.515	70	10	CJIE	
CCc1ccc([C@H](C)N[C@@H]2CCc3ccc(C)cc32)cc1	160779787	AFJGHYPISALTFF-MGPUTAFESA-N	279.427	4.896	70	10	CJIE	
CN[C@@H](CC1CCCCC1)c1ccccc1C(F)(F)F	161009174	QDLDOGOYPGCECC-HNNXBMFYSA-N	285.353	4.936	70	10	CJIE	
Cc1cc(C(=O)Nc2ccccc2Cl)c(Cl)cc1F	161145774	KDDRGTRJRTWKOF-UHFFFAOYSA-N	298.144	4.693	70	10	CJIE	
CCN[C@H]1CC[C@H](CC)C[C@@H]1Cc1ccc(C)c(C)c1	217667330	JTWRBLPIFBBNNU-UHOSZYNNSA-N	273.464	4.650	70	10	CJIE	
CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1CCC[C@@H](C)C1	218005754	PPXJBRNJZWKINN-XPKDYRNWSA-N	265.828	4.817	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1c1cc(Cl)cc(Br)c1	1885273258	AETDRMZNJAXGNA-RKDXNWHRSA-N	298.318	4.807	70	10	CJIE	
COc1ccc2cc([C@H]3C[C@@H]3[B-](F)(F)F)ccc2c1	2059003695	PZIQKBSNZFYQIL-KGLIPLIRSA-N	265.063	4.553	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1O[C@@H]1CC[C@@H](C)[C@@H](C)C1	2197461492	MOKSGRUJCRTWBS-TYNCELHUSA-N	299.165	4.507	70	10	CJIE	
CC(C)NCC1([C@@H]2C[C@H]2c2ccccc2)CCCCC1	159409405	OXVFRIBNSNUFLL-ZWKOTPCHSA-N	271.448	4.739	70	10	CJIE	
CCc1ccc([C@@H](C)Nc2ccc(F)c(OC)c2)cc1	160024053	GCYMOJDZFOHXGG-GFCCVEGCSA-N	273.351	4.570	70	10	CJIE	
CCCn1nccc1CNc1ccccc1-c1cccs1	160054412	OLBWOVYAJWZDMZ-UHFFFAOYSA-N	297.427	4.634	70	10	CJIE	
CCN[C@H](CC1CCCCC1)c1cc(C)ccc1F	161011671	VNWVAHHWFWZIEK-QGZVFWFLSA-N	263.400	4.755	70	10	CJIE	
c1ccc(C(NCCCC2CC2)c2ccccc2)cc1	161354036	GSQISASYGBGMDM-UHFFFAOYSA-N	265.400	4.556	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc(-c3ccc(N)cn3)ccc21	161494231	YBVUPHLJSRWCJD-UHFFFAOYSA-N	280.415	4.680	70	10	CJIE	
CCCCCC(CCCCC)N[C@H]1CCN2CCCC[C@@H]12	218126101	PKAGHOKQRJZNKC-OALUTQOASA-N	294.527	4.732	70	10	CJIE	
CCCCc1ccc(NC(=O)N/C=C/C2CCCC2)cc1	218583848	OXLSPOMUXWCKTN-BUHFOSPRSA-N	286.419	4.855	70	10	CJIE	
Cc1cc(OC[C@H]2CCC[C@@H](C)C2)c(C)c([B-](F)(F)F)c1	686553079	DGKYLCLEILXJFE-RISCZKNCSA-N	299.165	4.563	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OCCC[C@@H]1CC1(C)C	2197468146	XJGQJFMISXXREU-CYBMUJFWSA-N	299.165	4.509	70	10	CJIE	
CCCCCN(CC(=C(C)C)[B-](F)(F)F)C(C)C	2301855083	URMSQIJDMABFLZ-UHFFFAOYSA-N	264.164	4.610	70	10	CJIE	
CC(C)=C(CN(C)C[C@H]1CC[C@@H]1C(C)(C)C)[B-](F)(F)F	2343226052	GMBMQTZJZQSTQS-OLZOCXBDSA-N	290.202	4.714	70	10	CJIE	
Cc1cc([C@H](O)c2cc3cc(F)ccc3o2)ccc1Cl	159415867	DNGAAKUJDHWRII-INIZCTEOSA-N	290.721	4.615	70	10	CJIE	
Cc1cc(C)c(NC2=NCC3(CCCC3)CS2)c(C)c1	160207777	XVWYWCYEWBYIAD-UHFFFAOYSA-N	288.460	4.687	70	10	CJIE	
Cc1cccc([C@H](C)N[C@@H]2C[C@H](C)CC(C)(C)C2)c1	160209594	GOQJSEHINBUEAO-YQQAZPJKSA-N	259.437	4.860	70	10	CJIE	
Cc1cc(C)cc([C@H](N)c2c(C)ccc3ccccc23)c1	160871875	SLQJGFCBOFWVOW-FQEVSTJZSA-N	275.395	4.813	70	10	CJIE	
CCCC[C@@](CC)(CNC1CC1)C[C@H]1CCC(C)(C)O1	160906563	OVTSTOKXWSKPON-SJLPKXTDSA-N	281.484	4.673	70	10	CJIE	
Cc1ccc(NCC[C@H](C)c2ccccc2)cc1N(C)C	161171023	BTSNYVCSGCZYCQ-HNNXBMFYSA-N	282.431	4.667	70	10	CJIE	
CCN[C@H](Cc1ccc(C(C)(C)C)cc1)c1coc(C)c1	161278365	XEZSSXLSNCUUQE-GOSISDBHSA-N	285.431	4.779	70	10	CJIE	
Cc1ccccc1-c1c(N)noc1C1CCC(F)(F)CC1	216732058	BWQIBIGLYFWAFE-UHFFFAOYSA-N	292.329	4.525	70	10	CJIE	
CCC[C@H]1CC[C@@H](NC)[C@@H](Cc2ccc(CC)s2)C1	217711011	JABGWPDMMUJJCY-JJRVBVJISA-N	279.493	4.657	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1NCc1cc(F)ccc1F	217862819	CTKCCCQNBXKXHP-MJEQTWJJSA-N	281.390	4.515	70	10	CJIE	
CCCOc1ccc([C@@H](NC)[C@H]2CCC[C@@H](C)C2)cc1	217970103	SGILMGZSQKMJBF-UWWQBHOKSA-N	275.436	4.562	70	10	CJIE	
CC[C@H](C)[C@@H](c1ccccc1)[C@@H](N)c1sccc1C	218302479	KUDWRPXKJWTVPP-VBNZEHGJSA-N	273.445	4.886	70	10	CJIE	
Cc1cc2c(n1[C@H]1CCC[C@H](C)[C@H]1C)CC(C)(C)C[C@@H]2N	218615124	KJGXKHBHNGJQFS-YVVXQTMVSA-N	288.479	4.766	70	10	CJIE	
CCCCN(C1CC1)[C@@H]1C[C@@H](CCC)CC[C@@H]1NCCC	218676531	LFUQEUDBQSAUFZ-YTQUADARSA-N	294.527	4.588	70	10	CJIE	
CCC[C@H]1CC[C@H](CN)[C@@H](Cc2cc(C)ccc2C)C1	218759456	COURNTYTASGDOF-YQVWRLOYSA-N	273.464	4.637	70	10	CJIE	
Cc1cccc(C[C@@H](N)c2c(C)ccc3ccccc23)c1	160866027	AWVSKLFUDJQYMC-LJQANCHMSA-N	275.395	4.699	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)C[C@H]1Cc2ccccc21	161337489	FKNWYTYJDWXPAE-MSOLQXFVSA-N	269.432	4.585	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)c1cccc(C)c1	161422711	VQIIGKXQTRVZAI-GOSISDBHSA-N	257.421	4.926	70	10	CJIE	
Fc1cc(C(F)(F)F)ccc1[C@H]1C[C@H]1[B-](F)(F)F	2009403518	CSDZNINSUSVKJW-HTQZYQBOSA-N	270.964	4.549	70	10	CJIE	
CCN[C@H](c1ccc(C)cc1C)c1cccc(C)c1Cl	160296077	COAWISROPCOAHN-GOSISDBHSA-N	287.834	4.964	70	10	CJIE	
CC(C)CC1([C@@H](O)Cc2ccc(Cl)cc2F)CCCC1	160402353	VLAODZJCFUWXHY-INIZCTEOSA-N	298.829	4.989	70	10	CJIE	
CCCc1ccc([C@H]2CNc3cccc(Cl)c3O2)cc1	160535080	VIHIWHPXGHJZER-MRXNPFEDSA-N	287.790	4.838	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](N)CC1CCCC1	160863121	MNFHXCPYKCPGDO-KRWDZBQOSA-N	253.389	4.728	70	10	CJIE	
CCCN[C@@H](c1cc(C)sc1C)c1sccc1OC	161505417	DWRZATXAUIKCGL-AWEZNQCLSA-N	295.473	4.524	70	10	CJIE	
CCCC[C@@H](CC)C[C@@]1(N)C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217890410	SNEUFMHZEJIAIJ-GQLSEVEHSA-N	263.469	4.747	70	10	CJIE	
N[C@@]1(c2cccc(Cl)c2Cl)C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217895036	GIIGUNSTOBXKBO-XYOMKSJCSA-N	296.241	4.604	70	10	CJIE	
CCN[C@@H](c1cnc2ccccc2c1)[C@@H]1CCC[C@@H](C)C1	218576964	GHNINLPEXNLRLW-IDHHARJASA-N	282.431	4.712	70	10	CJIE	
CN[C@H]1CCCCCCCCCC[C@@H]1N1CCCC[C@@H]1C	218592652	KZWQTZOMVFEZNE-FHWLQOOXSA-N	294.527	4.732	70	10	CJIE	
Fc1cc(/C=C/[B-](F)(F)F)c(Cl)cc1Cl	306812955	BBUIIACBGLHKNK-OWOJBTEDSA-N	257.830	4.532	70	10	CJIE	
CCc1ccc([C@H](N)c2c(C)ccc3ccccc23)s1	160868241	YVUUAYSGXKCDSU-SFHVURJKSA-N	281.424	4.820	70	10	CJIE	
C[C@@H](Nc1cccc(N(C)C)c1)c1nc2ccccc2s1	161122325	HDQXONVAGLDJNU-GFCCVEGCSA-N	297.427	4.535	70	10	CJIE	
Cc1cc(CN[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c(C)s1	218139344	SDBOJFKKURGHFW-ZMSDIMECSA-N	277.477	4.669	70	10	CJIE	
CCCN[C@H]1CC[C@@H](CCC)C[C@@H]1N(C)C1CCCCC1	218603572	OMDBEBFFRKLASL-NEWSRXKRSA-N	294.527	4.588	70	10	CJIE	
CCOC(=O)c1oc(C2CCCCCCC2)nc1C(C)C	160397296	LTBCIZVXMACFQW-UHFFFAOYSA-N	293.407	4.803	70	10	CJIE	
CCN[C@H](C)c1ccc(Oc2ccc(F)cc2C)cc1	160582027	JWYGSPJLQNZSBU-CYBMUJFWSA-N	273.351	4.597	70	10	CJIE	
CSc1ccc([C@@H](N)c2c(C)ccc3ccccc23)cc1	160880946	QIVIIUBXBIYLMO-LJQANCHMSA-N	293.435	4.918	70	10	CJIE	
C[C@H](CNC1CCCCCCCCCCC1)N1CCCC1	161001550	KFFHFAGKUROVDU-GOSISDBHSA-N	294.527	4.734	70	10	CJIE	
O=C(CC1=CCCCC1)c1ccccc1C(F)(F)F	161007884	RKROHGGXZWCKPS-UHFFFAOYSA-N	268.278	4.779	70	10	CJIE	
CCCc1c(CNC2CC2)oc2c(Cl)ccc(Cl)c12	161333404	ODRPVHDRMUMZGC-UHFFFAOYSA-N	298.213	4.944	70	10	CJIE	
CC[C@@H](C)c1ccc(OCc2cccc(OC)c2)cc1	217401080	CMUQSTSYQSIWMS-CQSZACIVSA-N	270.372	4.788	70	10	CJIE	
FC(F)Oc1cccc(N[C@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c1	217746859	YOHVWIOENUQIDQ-XNNBJJOUSA-N	293.357	4.525	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217867158	CKBMRLUNNXSEHM-PHBLJLLGSA-N	289.507	4.862	70	10	CJIE	
C[C@H]1CCC[C@H]([C@@H](O)Cc2cccc3ccccc23)C1	217924071	KPWCPGIBPSIXAR-FNHZYXHNSA-N	268.400	4.570	70	10	CJIE	
CCN[C@H](Cc1cc(C)ccc1C)[C@@H]1CCC[C@@H](C)C1	217982673	BBHRKNMXJLIONK-LSBZLQRGSA-N	273.464	4.650	70	10	CJIE	
CC(C)=CCCOc1ccc2ccccc2c1[B-](F)(F)F	697875446	SQXAUQHRMHFFSG-UHFFFAOYSA-N	293.117	4.629	70	10	CJIE	
CC[C@H]1CC[C@H](CN2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)CC1	1879766511	FRHKDTOPBZGMTH-ZQDZILKHSA-N	288.186	4.516	70	10	CJIE	
C[C@]1(CN2CCC[C@@H]([B-](F)(F)F)C2)CCCCC1(F)F	2133914215	RINBOXGIQUJFGD-VXGBXAGGSA-N	298.128	4.515	70	10	CJIE	
Cc1ccc([C@@H]2Oc3cc(Cl)ccc3N[C@@H]2C)cc1	160557742	GIBCLBNDASPYDE-BDJLRTHQSA-N	273.763	4.583	70	10	CJIE	
CCCN[C@@H](Cc1ccc(CC)s1)[C@H]1CCCCS1	161452004	WXMSSYACHDUIEK-JKSUJKDBSA-N	297.533	4.507	70	10	CJIE	
Cc1cc(C)cc(CN[C@H]2C[C@H](C)CC[C@H]2C(C)C)c1	217521190	BPPZCCXVBRQLKT-CCKFTAQKSA-N	273.464	4.854	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1N[C@H](CC)c1cccs1	217846596	SPQIGDCJKTYYKH-MJBXVCDLSA-N	251.439	4.758	70	10	CJIE	
CCN[C@H](c1cc(C)cc(C)c1)[C@H]1CCC[C@@H](C)C1	218005515	WXJYNWCWDBJIAO-SKDZVZGDSA-N	259.437	4.780	70	10	CJIE	
C=C(CCOCCCCCC(C)C)[B-](F)(F)F	2243879574	LCDYOEHVAMYEJG-UHFFFAOYSA-N	251.121	4.552	70	10	CJIE	
CC(C)=C(COC[C@H]1C[C@H]1C1CCCCC1)[B-](F)(F)F	2340164415	VKPZUWZFLVHERB-KGLIPLIRSA-N	289.170	4.942	70	10	CJIE	
Cc1cc([C@@H](O)c2cc3cc(Cl)ccc3o2)sc1C	159367084	CGGNSZDYNKVIAF-HNNXBMFYSA-N	292.787	4.846	70	10	CJIE	
O[C@@H](c1cc2c(s1)CCCC2)c1ccccc1C1CCC1	160013094	SELBYXVSZZSOKN-LJQANCHMSA-N	298.451	4.976	70	10	CJIE	
O[C@@H](c1cccc(C2CCC2)c1)c1cc2c(s1)CCC2	160161166	XIFYHRYZRDCCAE-SFHVURJKSA-N	284.424	4.586	70	10	CJIE	
CCCN[C@H](c1cc(C)oc1C)c1cccc(C)c1Cl	160310367	FJNXDWBZMIQWQD-KRWDZBQOSA-N	291.822	4.947	70	10	CJIE	
Cc1ccc([C@H](N)Cc2ccc(F)cc2Cl)cc1Cl	160562159	GILHGVBOPCNLQU-OAHLLOKOSA-N	298.188	4.683	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1ccccc1CN(C)C	217607120	VXCWDUTZDLWSHN-IEZWGBDMSA-N	288.479	4.621	70	10	CJIE	
CCCNC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1ccc(C)cc1	218758673	IKVUUBATUJHCEV-QRQLOZEOSA-N	289.463	4.631	70	10	CJIE	
COc1ccc2cc([C@@H]3C[C@H]3[B-](F)(F)F)ccc2c1	2059003696	PZIQKBSNZFYQIL-UONOGXRCSA-N	265.063	4.553	70	10	CJIE	
CC1(C)CC[C@H](CCN2CC[C@H]3C[C@]3([B-](F)(F)F)C2)C1	2344850547	FAVDLIHIYCGEBO-IPYPFGDCSA-N	288.186	4.516	70	10	CJIE	
Cc1ccc([C@H](C)NCc2cc(F)cc(Cl)c2)cc1F	160963449	SNBPKNDDFXBOPG-NSHDSACASA-N	295.760	4.777	70	10	CJIE	
CCCNC[C@@H]1CC[C@H](CCC)C[C@H]1c1cncc(C)c1	161036020	NVOORIJLJNNRJG-JENIJYKNSA-N	288.479	4.690	70	10	CJIE	
C[C@@H]1CCCc2[nH]c([C@@H]3CCC[C@H](C(F)(F)F)C3)nc21	216972232	GEJNEHGTUZPFKJ-MXWKQRLJSA-N	286.341	4.686	70	10	CJIE	
CC[C@H](C)[C@H](C)N[C@H](c1ccccc1)c1cccs1	217965572	LIZDEYQCQNEYCB-GRDNDAEWSA-N	273.445	4.862	70	10	CJIE	
Cc1c([C@H](C)N[C@H]2CCC[C@@H](C)C2)oc2ccccc12	217996809	BSZDYCRZPDTAPF-SNPRPXQTSA-N	271.404	4.971	70	10	CJIE	
CC[C@@H]1CC[C@H](CN)[C@@H](Cc2cccc(C(F)(F)F)c2)C1	218698382	WWTYVHMRXQDOHJ-BPLDGKMQSA-N	299.380	4.649	70	10	CJIE	
C=C(CCN(C)[C@@H](C)c1cccc(Cl)c1)[B-](F)(F)F	2044982789	WYQMQVZKJHZCIT-NSHDSACASA-N	290.545	4.666	70	10	CJIE	
C=CCCCCCCCOCc1ccc([B-](F)(F)F)cc1	2235533656	UYHLQHBVJVTCAV-UHFFFAOYSA-N	299.165	4.784	70	10	CJIE	
C[C@@H]1C[C@@H]1CCCCCN1CCC[C@H]([B-](F)(F)F)C1	2257294096	STDYNOKCBRWRLC-RDBSUJKOSA-N	276.175	4.516	70	10	CJIE	
CC(C)=C(COC[C@@H]1C[C@@H]1C1CCCCC1)[B-](F)(F)F	2340164417	VKPZUWZFLVHERB-UONOGXRCSA-N	289.170	4.942	70	10	CJIE	
CCCN[C@H](CC[C@@H]1C[C@@H]1c1ccccc1)C(C)C	159527021	WQTZTOXPXFPJTA-KZNAEPCWSA-N	259.437	4.595	70	10	CJIE	
CCCN[C@H](CC1CCCC1)C(CC)(CC)OCC	159873915	MNWWNVHBKYGPBG-MRXNPFEDSA-N	269.473	4.530	70	10	CJIE	
CCN[C@@H](c1c(C)ccc2ccccc12)C1CCCC1	160924750	BIAXWRLMXFIUTM-LJQANCHMSA-N	267.416	4.989	70	10	CJIE	
CCCN[C@H](c1c(C)ccc2ccccc12)C1CC1	160935876	XEPJKEVDQUELAK-SFHVURJKSA-N	253.389	4.599	70	10	CJIE	
CC[C@@H](C)c1ccccc1NC(=O)N/C=C/c1ccccc1	217649489	OYRUFHUKTJULBG-SZGUKTLCSA-N	294.398	4.993	70	10	CJIE	
CN[C@@H](c1ccc(C(C)C)cc1)[C@H]1CCC[C@@H](C)C1	217959685	DKCGDLGQBDEZBP-JLSDUUJJSA-N	259.437	4.897	70	10	CJIE	
Cc1ccc(CN[C@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1C	218158961	NDFFBQDSCWCIMC-JVPBZIDWSA-N	273.464	4.854	70	10	CJIE	
CCCN[C@@H](CCC)CO[C@H]1C[C@@H](C)CC[C@@H]1C(C)C	218784228	QLQHTJPRZQTXQY-FJIDUMEYSA-N	283.500	4.632	70	10	CJIE	
CC(C)C(CCN1CC[C@H]2C[C@]2([B-](F)(F)F)C1)C(C)C	1879771851	NAPRUTFOUQOLQB-ZFWWWQNUSA-N	290.202	4.618	70	10	CJIE	
C[C@H]1CC[C@@H](c2nc(C3CC3)c(CNC(C)(C)C)s2)C1	159608252	BRYJDKRKMWPGOX-WCQYABFASA-N	292.492	4.812	70	10	CJIE	
COC(C)(C)CNC1CCCCCCCCCCC1	160067183	NZBRTOHNBXRXSO-UHFFFAOYSA-N	269.473	4.674	70	10	CJIE	
CN[C@@H](c1ccccc1C)c1c(C)ccc2ccccc12	160904863	IZYGGVPXTPBLGP-FQEVSTJZSA-N	275.395	4.765	70	10	CJIE	
CCN[C@@H](CC1CC1)c1c(C)ccc2ccccc12	160918358	OAVDEWVJVOOLMH-KRWDZBQOSA-N	253.389	4.599	70	10	CJIE	
CO[C@H](C(=O)c1ccc(C2CCC2)cc1)c1ccccc1	161507702	FANHJRWXKHKRFW-IBGZPJMESA-N	280.367	4.525	70	10	CJIE	
C[C@H]1CC[C@@H](CN)[C@@H](Cc2ccc(Cl)c(Cl)c2)C1	218580318	SDLMUELDBPVQKT-WCFLWFBJSA-N	286.246	4.547	70	10	CJIE	
CCC1CCC(CN2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)CC1	1879766505	FRHKDTOPBZGMTH-CVSAEHQPSA-N	288.186	4.516	70	10	CJIE	
C[C@H](N[C@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccs1	160686464	CXXBADSPDILGHZ-YJNKXOJESA-N	263.450	4.758	70	10	CJIE	
CC[C@@H]1CCc2nc(C3CCCCCCC3)[nH]c2C1	216970486	BHVLMVMPDSYMEG-CYBMUJFWSA-N	260.425	4.753	70	10	CJIE	
CCc1cccc(CC)c1NC(=O)Nc1cccc(C)c1	217304699	IWVILAFWYHAAMW-UHFFFAOYSA-N	282.387	4.764	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](CN)[C@@H](Cc2ccccc2Cl)C1	218775921	LSMIITNSWDBGFG-VNQPRFMTSA-N	279.855	4.530	70	10	CJIE	
CC1CCC(Oc2nc3ccccc3cc2CCl)CC1	20469356	LYMISUKFQQKUNF-UHFFFAOYSA-N	289.806	4.931	70	10	CJIE	
Cc1ccc(C)c([C@H](C)Nc2cccc(N(C)C)c2)c1	161131202	JJAGGLRKBVEONI-HNNXBMFYSA-N	268.404	4.543	70	10	CJIE	
CC[C@@H](C)c1ccccc1NC(=O)Nc1cccc(F)c1	217310680	KWKPYLFJPNVYLJ-GFCCVEGCSA-N	286.350	4.983	70	10	CJIE	
CC(C)c1csc2c(Br)cccc12	218195350	RZEBDLPHRLNHGA-UHFFFAOYSA-N	255.180	4.787	70	10	CJIE	
C=C(CCOCC12CC3CC(CC(C3)C1)C2)[B-](F)(F)F	2232020964	VOMBDZNDILRNKB-UHFFFAOYSA-N	287.154	4.552	70	10	CJIE	
CC(C)CNC[C@](C)(C(C)C)[C@@H]1C[C@@H]1c1ccccc1	159489361	FONPIZODMRPREW-GUDVDZBRSA-N	273.464	4.698	70	10	CJIE	
CCOC1(C(=O)Cc2ccc(C(C)C)cc2)CCCCC1	160826864	WZOUZYZIEBEYMT-UHFFFAOYSA-N	288.431	4.661	70	10	CJIE	
CCc1ccc([C@H](N)[C@@H](c2ccccc2)[C@H](C)CC)o1	217900709	TZLLCWHJIJYJPJ-XWIAVFTESA-N	271.404	4.672	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1cccc(CN(C)C)c1	218116906	OZKUOKOWHKVCAO-MNEFBYGVSA-N	288.479	4.621	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1OCC1CCC(C)(C)CC1	394203100	AJKJMDBYMPKHAE-UHFFFAOYSA-N	299.165	4.645	70	10	CJIE	
C[C@@H](N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccco1	160219280	NLGFTFNCXTVGHT-ZBFHGGJFSA-N	297.398	4.767	70	10	CJIE	
CNCc1cc(-c2c(C)ccc3ccccc23)ccc1F	160963735	RXFMFAFERWUIIX-UHFFFAOYSA-N	279.358	4.674	70	10	CJIE	
C/C=C\c1ccccc1OCCCCCCNCCC	217133528	GSRXGVFGVBWIBE-JYOAFUTRSA-N	275.436	4.659	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCCNc1cccc(F)c1	217894634	LKPZCQXKXHKWNV-OLMNPRSZSA-N	293.426	4.715	70	10	CJIE	
CN[C@@H](Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@@H](C)C1	217973144	FGEHDPDLGZRQIH-XPKDYRNWSA-N	299.380	4.662	70	10	CJIE	
CCN[C@@H](Cc1ccc(CC)cc1)[C@@H]1CCC[C@@H](C)C1	217982913	ALJOTHNFNKSHRS-LZQZEXGQSA-N	273.464	4.596	70	10	CJIE	
C[C@@H](N[C@H](c1ccccc1)C1CC1)[C@@H]1C[C@@H]2CC[C@@H]1C2	218069459	IAUDKCOLFQVMPM-XABSUIGJSA-N	269.432	4.552	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@H](O)[C@@H](Cc2c(F)cccc2Cl)C1	218304107	HVOXDFYBKUTWCY-WQGACYEGSA-N	298.829	4.845	70	10	CJIE	
CCCNC[C@@H](O[C@H]1CCC[C@@H](C)C1)c1ccccc1C	218759680	GFPKDODPFOBPRX-HHXXYDBFSA-N	289.463	4.631	70	10	CJIE	
C=C(CCOc1c(Cl)cccc1Cl)[B-](F)(F)F	1978067475	LKMSTFLFUURKCU-UHFFFAOYSA-N	283.893	4.705	70	10	CJIE	
C=C(CCN(C)[C@H](CC)CCCCC)[B-](F)(F)F	2018180941	CUNCEKJTRZVJCC-CYBMUJFWSA-N	264.164	4.610	70	10	CJIE	
C=C(CCOc1cccc(OC(C)(C)C)c1)[B-](F)(F)F	2270299625	XWHKRAYGNQFLIN-UHFFFAOYSA-N	287.110	4.576	70	10	CJIE	
CCc1ccc(C[C@H](CNC(C)(C)C)C2CCCC2)cc1	159999604	UPENIPWGSLRDEW-LJQANCHMSA-N	287.491	4.986	70	10	CJIE	
COc1cc(N[C@H]2CCCC[C@H]2C(C)(C)C)ccc1F	160055729	VZAGYXCHQSEAPZ-HIFRSBDPSA-N	279.399	4.851	70	10	CJIE	
CC(C)Cc1ccc([C@H]2CCNC[C@H]2C2CCCC2)cc1	160109089	OGKVMCFLQASAAF-UXHICEINSA-N	285.475	4.768	70	10	CJIE	
Cc1nc2cc(NCc3ccc(Cl)cc3F)ccc2o1	160667959	MPJHPZMUMBRTDE-UHFFFAOYSA-N	290.725	4.541	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](Nc1ccccc1OC(C)C)CC2	160800786	IUHJFGJWQOJRBX-KRWDZBQOSA-N	281.399	4.882	70	10	CJIE	
CN[C@H]1CC[C@H](C)C[C@@H]1Cc1ccc(Cl)cc1Cl	217630733	LAIIPEXCDPUXHB-NVBFEUDRSA-N	286.246	4.560	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217867230	CKBMRLUNNXSEHM-MVPCEKCOSA-N	289.507	4.862	70	10	CJIE	
CCCCCC(CCCCC)NCCN(C)[C@H](C)CC	217914116	XHGWRNJRPIETAZ-QGZVFWFLSA-N	284.532	4.836	70	10	CJIE	
C[C@H]1CCC[C@H]([C@@H](O)Cc2ccc(Cl)cc2Cl)C1	217915276	BOCRXEGETKGQHR-WBIUFABUSA-N	287.230	4.723	70	10	CJIE	
CC[C@H](C)C[C@@H](CC)N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218015904	YEGDCJSASIQRJK-ZQBXRDLCSA-N	263.469	4.616	70	10	CJIE	
CN[C@H]1CC(C)(C)Cc2nc([C@H]3CCC[C@@H](C)C3)sc21	218077311	LUQQETWPSPDMSL-AGIUHOORSA-N	292.492	4.670	70	10	CJIE	
C[C@@H]1CCCC[C@H]1OC[C@@H](O)c1ccc(C(C)(C)C)cc1	218549109	TXCUGMFQTGSRQG-ZTFGCOKTSA-N	290.447	4.613	70	10	CJIE	
C[C@H](N[C@@H]1CCSC1)c1ccc(-c2ccccc2)cc1	218588363	OGEGASDEAGUYJM-KBXCAEBGSA-N	283.440	4.510	70	10	CJIE	
CN[C@@H]1CCCCCCCCCC[C@@H]1N(C)CCC(C)C	218668602	VVHFVKNIZWOXQO-MOPGFXCFSA-N	296.543	4.836	70	10	CJIE	
F[B-](F)(F)C=C(Cc1ccccc1)Cc1ccccc1	1912949814	CIXYAEWPWRTPKZ-UHFFFAOYSA-N	275.102	4.785	70	10	CJIE	
CC(C)=C(COC1CC(CC(C)(C)C)C1)[B-](F)(F)F	2317864471	UYJFKQNZDAHJKO-UHFFFAOYSA-N	277.159	4.941	70	10	CJIE	
CC(C)CNC[C@@H](Cc1cccc(F)c1F)C1CCCC1	160009667	QOMMMRKOORFTCN-MRXNPFEDSA-N	295.417	4.559	70	10	CJIE	
Cc1cc(F)ccc1OC[C@H]1CCCc2ccccc21	160714375	ZLQWDBQSMROHGZ-OAHLLOKOSA-N	270.347	4.633	70	10	CJIE	
CCCNCc1oc2ccc(Cl)cc2c1CC(C)C	161112469	OJJBSJDKCNACKX-UHFFFAOYSA-N	279.811	4.784	70	10	CJIE	
CCN[C@H](c1cc(Cl)ccc1OC)[C@H]1CCC[C@@H](C)C1	217977998	DHLXFIRMVIPPRQ-IGCXYCKISA-N	295.854	4.826	70	10	CJIE	
C=C(COc1ccccc1[C@H](C)CC)[B-](F)(F)F	233969107	KQILAROZTNZHLN-SNVBAGLBSA-N	257.084	4.522	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OCCC1CCCCC1	2197460911	FZLLHXNFBYQQFJ-UHFFFAOYSA-N	299.165	4.653	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1O[C@@H]1CC[C@H](C)[C@H](C)C1	2197461493	MOKSGRUJCRTWBS-YWPYICTPSA-N	299.165	4.507	70	10	CJIE	
CC(C)=C(CSCC1(C(F)(F)F)CC1)[B-](F)(F)F	2301954737	CLDNSHSLFNRQQN-UHFFFAOYSA-N	291.089	4.785	70	10	CJIE	
CC(C)=C(CN(C)[C@H]1CCC12CCCCC2)[B-](F)(F)F	2340146025	NWMUOJIVWDQRQC-AWEZNQCLSA-N	288.186	4.754	70	10	CJIE	
CCO[C@@H](c1nc(Cl)cc(C2CC2)n1)C1CCCCC1	160414015	ZZVDINMMRDIYDW-OAHLLOKOSA-N	294.826	4.665	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](N)c1ccc(Cl)cc1	160861002	RXUHZIBZZSBPOJ-SFHVURJKSA-N	281.786	4.850	70	10	CJIE	
CCN[C@@H](Cc1ccc(Cl)s1)c1cc(C)ccc1C	160939846	QOHGTTGQPQIJIM-HNNXBMFYSA-N	293.863	4.912	70	10	CJIE	
Cc1cccc(CC(=O)c2cc3ccc(F)cc3s2)c1	161169353	ZGKQIBGWMJTCPP-UHFFFAOYSA-N	284.355	4.774	70	10	CJIE	
COc1ccc2[nH]c(-c3cc4ccc(F)cc4s3)nc2c1	161189773	FVBMEWRWHCRFHX-UHFFFAOYSA-N	298.342	4.592	70	10	CJIE	
CC(C)CNCc1oc2cc(F)cc(F)c2c1C(C)C	161464433	WUVYPTOHBYXNGO-UHFFFAOYSA-N	281.346	4.580	70	10	CJIE	
C[C@H](CCN[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)c1ccccc1	217574205	FFCNMLLQBIKPHH-LKERMYKISA-N	283.459	4.595	70	10	CJIE	
COc1ccc(C)cc1N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218069736	SULGAKCBKBXZPV-QANKJYHBSA-N	273.420	4.630	70	10	CJIE	
CC[C@@H](N)[C@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)c1cccs1	218262617	KANKVVQWNXBFOL-KQTLUZQSSA-N	295.492	4.758	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@H](N)[C@@H](c2cc(F)ccc2Cl)C1	218518443	NFKCVXZKDPJDCP-YVLXSGLVSA-N	283.818	4.736	70	10	CJIE	
CCCC[C@@H](CC)CO[C@@H](CC)[C@@H](O)c1ccccc1	218556767	XUTYWQFUHCENTH-NJAFHUGGSA-N	278.436	4.732	70	10	CJIE	
C=C(CN(C)C1CC2(CCC(C)(C)CC2)C1)[B-](F)(F)F	1876828159	LMWJHHOPYXEJBZ-UHFFFAOYSA-N	288.186	4.610	70	10	CJIE	
C=C(CCN(C)[C@H]1CCC[C@H](C(C)(C)C)C1)[B-](F)(F)F	2229848499	DXUASBYSZLRUBB-KBPBESRZSA-N	290.202	4.856	70	10	CJIE	
Cc1ccc(OCC[C@H]2CCC[C@@H](C)C2)c([B-](F)(F)F)c1	2279817369	QATBPVSYTXDDOL-TZMCWYRMSA-N	299.165	4.645	70	10	CJIE	
CC(C)=C(COc1ccc2ccccc2c1)[B-](F)(F)F	2340163905	VBMHKYFFJKVJCR-UHFFFAOYSA-N	279.090	4.942	70	10	CJIE	
CCNC[C@@H](Cc1ccc(C(C)C)cc1)C1CCCC1	159933215	JLCXTFWMBJAWDY-LJQANCHMSA-N	273.464	4.768	70	10	CJIE	
Cc1cccc(C(=O)c2ccc(OC(C)C)cc2)c1Cl	160265773	SBGJROQNNDMCHS-UHFFFAOYSA-N	288.774	4.667	70	10	CJIE	
CCN[C@@H](CC1CCCCC1)c1c(C)oc(C)c1C	160983771	LYFSUVCOFLTQCR-INIZCTEOSA-N	263.425	4.826	70	10	CJIE	
CCCNCc1oc2c(Cl)cc(C)cc2c1C1CC1	161458069	LLSQDAHNDNDYNR-UHFFFAOYSA-N	277.795	4.772	70	10	CJIE	
CCCC[C@H](CC)c1nc2c([nH]1)C[C@H](C(F)(F)F)CC2	216980112	FNHVZSSDPNZHIR-WDEREUQCSA-N	288.357	4.761	70	10	CJIE	
CCCCCC[C@@H](C)O[C@H](c1ccc(F)cc1)[C@@H](N)CC	218257885	VZYOQLYZGDNFIQ-FHLIZLRMSA-N	295.442	4.980	70	10	CJIE	
C[C@H]1CC[C@H](CN)[C@@H](Cc2c(Cl)cccc2Cl)C1	218589637	JAFKZADGGUCTHY-QJPTWQEYSA-N	286.246	4.547	70	10	CJIE	
C=C(CCOCc1ccc(Cl)cc1Cl)[B-](F)(F)F	2216980902	UJYRQPJLNSARLL-UHFFFAOYSA-N	297.920	4.843	70	10	CJIE	
CCCCCCCOCc1cccc([B-](F)(F)F)c1C	2268269262	ABFZMLWMEYCPJN-UHFFFAOYSA-N	287.154	4.536	70	10	CJIE	
CO[C@H](CSCC(=C(C)C)[B-](F)(F)F)CC(C)(C)C	2317988644	HPRHJXZJUJGXDU-NSHDSACASA-N	297.215	4.894	70	10	CJIE	
CCCCC[C@H](NCC)c1cccc(OCCC)c1	159596637	LFPVLENHEOVUEA-KRWDZBQOSA-N	263.425	4.706	70	10	CJIE	
CCCc1cccc([C@@H](O)c2cccc(F)c2Cl)c1	159822686	XUUCSUCSOADXOE-MRXNPFEDSA-N	278.754	4.513	70	10	CJIE	
Cc1ccc2c(c1)[C@H](Nc1ccc3oc(C)nc3c1)CC2	160766943	ZBMHRBDTLKYPOK-MRXNPFEDSA-N	278.355	4.544	70	10	CJIE	
Cc1ccc2c(c1)[C@H](N[C@H](C)Cc1ccccc1C)CC2	160809793	UCCPBYWBCZISRR-OXQOHEQNSA-N	279.427	4.512	70	10	CJIE	
CN[C@@H](c1c(C)ccc2ccccc12)[C@H]1C[C@@H]2CC[C@@H]1C2	160891993	FUYQCEZZLFTZOI-GNUPYSACSA-N	279.427	4.845	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](O)C1CCCCC1	161008068	LVRNVRGUGLAAPR-SFHVURJKSA-N	254.373	4.762	70	10	CJIE	
CC(C)(C)c1ccc([C@]2(O)C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1	217872400	YCWSABIMTBNOBV-WSKARLGFSA-N	284.443	4.628	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](N)[C@@H](c2cccc(C(F)(F)F)c2)C1	218526129	IUNSVSJUHWBYGW-KCPJHIHWSA-N	285.353	4.572	70	10	CJIE	
CCN[C@H]1CC[C@@H](C(C)(C)CC)C[C@@H]1N(C)C[C@@H](C)CC	218636234	ODBVYYOMSKWLJN-MHORFTMASA-N	296.543	4.547	70	10	CJIE	
CCc1cc(Br)c([C@H]2C[C@H]2[B-](F)(F)F)s1	1885275790	XQPWAUTZFPZPHD-NKWVEPMBSA-N	297.956	4.778	70	10	CJIE	
CCc1ccc([C@@H](CC)Nc2cccc(N(C)C)c2)cc1	161081499	HACMOIPTRZCSNA-LJQANCHMSA-N	282.431	4.878	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc(-c3csc(N)n3)ccc21	161491051	AAPXKGNLYHZJAI-UHFFFAOYSA-N	286.444	4.741	70	10	CJIE	
Clc1cccc(Cl)c1CNC/C=C\c1ccccc1	216856531	DHUBPVUIQWRAPC-YVMONPNESA-N	292.209	4.796	70	10	CJIE	
CN[C@H]1CC[C@H](C(C)C)C[C@@H]1Cc1ccc(F)cc1Cl	217793774	IEYWFRVBRQUEIR-QEORTHHSSA-N	297.845	4.682	70	10	CJIE	
Cc1ccc([C@]2(N)C[C@H](C)CC[C@H]2C(C)C)c(C)c1	217880572	XLWFRKSPVKFLQC-HFTRVMKXSA-N	259.437	4.550	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](Cc2c(C)cc(C)cc2C)C1	218743653	RDEJBNLAZQSZJI-CEXWTWQISA-N	287.491	4.946	70	10	CJIE	
C[C@H]1C[C@H]1CCCCCN1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2334451267	OEWKOSLJVXOLAH-YJNKXOJESA-N	288.186	4.516	70	10	CJIE	
CCCN[C@H](C)CC(C)(C)[C@H]1C[C@@H]1c1ccccc1	159537277	CJQSLZDNAVNECA-OIISXLGYSA-N	259.437	4.595	70	10	CJIE	
Cc1ccc([C@H](C)N[C@H]2CCC[C@@H](C3CC3)C2)cc1	159914090	QKZPVIRXCPREPE-QGTPRVQTSA-N	257.421	4.614	70	10	CJIE	
C[C@H]1Nc2ccc(Cl)cc2O[C@H]1c1ccc(Cl)cc1	160571230	FDNKZMIGUBXROK-RFAUZJTJSA-N	294.181	4.928	70	10	CJIE	
CCN[C@H](C)c1cccc(Oc2ccc(F)cc2C)c1	160584723	PHHVQXKAUDHDNJ-CYBMUJFWSA-N	273.351	4.597	70	10	CJIE	
CCc1ccc([C@@H](N)c2c(C)ccc3ccccc23)cc1	160842669	OPTKYQWUEUMJLY-HXUWFJFHSA-N	275.395	4.759	70	10	CJIE	
Cc1ccc(N[C@@H](C)c2ccc(F)cc2F)cc1N(C)C	161178584	CFTKBKPJEDQRDD-LBPRGKRZSA-N	290.357	4.512	70	10	CJIE	
FC(F)(F)c1ccc(Cl)c(N[C@H]2C[C@@H]3CC=C[C@H]32)c1	217798579	VQUDUDZKCBQDSA-XRNSZHNASA-N	287.712	4.735	70	10	CJIE	
Nc1nc(/C=C\c2ccc(-c3ccccc3)cc2)cs1	217967951	KTVQZZYSYNIXBA-FLIBITNWSA-N	278.380	4.563	70	10	CJIE	
CCCN[C@H](Cc1ccc(CC)cc1)[C@@H]1CCC[C@@H](C)C1	218013317	SBUIDOLYOHGFJN-NSISKUIASA-N	287.491	4.986	70	10	CJIE	
Cc1cc(OC[C@@H]2CCC[C@@H](C)C2)c(C)c([B-](F)(F)F)c1	686553075	DGKYLCLEILXJFE-BXUZGUMPSA-N	299.165	4.563	70	10	CJIE	
C=CCCCCCCOc1ccc([B-](F)(F)F)c(C)c1	2141922357	OYCXKJYGFOBZPH-UHFFFAOYSA-N	285.138	4.565	70	10	CJIE	
CC(C)=C(CN(C)C1CC2(C1)CC(C)(C)C2)[B-](F)(F)F	2340153027	TXQYCFZKJJAHGL-UHFFFAOYSA-N	288.186	4.610	70	10	CJIE	
CCNC[C@@H]1CCC(C)(C)C[C@@H]1[C@@H]1C[C@@H]1c1ccccc1	159677004	VZJZHSBQFIBWNA-MANSERQUSA-N	285.475	4.842	70	10	CJIE	
CCCCOCCCN[C@@H](c1ccc(Cl)cc1)C1CC1	160192880	XTKYZCDEUVCXCL-QGZVFWFLSA-N	295.854	4.588	70	10	CJIE	
CCCCOCCCN[C@H](CCCC)c1ccccc1	160241675	ROQGHMPJCOMCGX-GOSISDBHSA-N	277.452	4.714	70	10	CJIE	
CO[C@@]1(c2nc(C)c(C(C)C)c(Cl)n2)CCC[C@@H](C)C1	160410683	ZKWUEMANKBCAPH-BZNIZROVSA-N	296.842	4.614	70	10	CJIE	
CCN[C@H](Cc1ccc(F)cc1Cl)C1C(C)(C)C1(C)C	160618704	KAYIZIJVSHFHIB-CQSZACIVSA-N	297.845	4.682	70	10	CJIE	
CCN[C@@H](Cc1ccc(Cl)s1)c1ccccc1CC	160918957	OSIVMFGEZRGEBN-HNNXBMFYSA-N	293.863	4.857	70	10	CJIE	
CCC[C@H]1CC[C@H](NCC)[C@@H](Cc2ccc(CC)cc2)C1	217716899	PMRKXWRDGNDNSA-SXLOBPIMSA-N	287.491	4.986	70	10	CJIE	
CCCN[C@H]1CC[C@@H](CCC)C[C@@H]1Cc1ccsc1	217729443	PLYDXQLXBFLWPU-OIISXLGYSA-N	279.493	4.875	70	10	CJIE	
C[C@@H]1CCC[C@H]([C@@H](N)c2ccc(C(C)(C)C)cc2)C1	217953480	JIRGWLZRDBGJOC-KMFMINBZSA-N	259.437	4.810	70	10	CJIE	
FC(F)(F)c1cc(N[C@@H]2C[C@H]3CC=C[C@H]32)ccc1Cl	217984961	UINRMBVFBDRIAB-ZDSQKVDBSA-N	287.712	4.735	70	10	CJIE	
C=C(CCO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)[B-](F)(F)F	2044979733	LXRLETHTIIEPCI-FPMFFAJLSA-N	277.159	4.797	70	10	CJIE	
C[C@H](C[C@@H](N)Cc1ccc(F)cc1Cl)CC(C)(C)C	160532578	AACOOUXDWXEDAK-BXUZGUMPSA-N	285.834	4.811	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](N[C@@H](C)Cc1ccccc1C)CC2	160809661	UCCPBYWBCZISRR-JXFKEZNVSA-N	279.427	4.512	70	10	CJIE	
CC[C@@H](c1ccccc1)[C@@H](Cc1ccc(Cl)s1)NC	160880021	FFMOJRFVCNQSEW-LSDHHAIUSA-N	293.863	4.726	70	10	CJIE	
Cc1ccc2ccccc2c1-c1ccc(N)c(F)c1	160954675	FXRLYTQKVLCAPE-UHFFFAOYSA-N	251.304	4.537	70	10	CJIE	
Cc1cc([C@@H](N)Cc2ccc(C(C)(C)C)cc2)sc1C	161287109	DZLXXWUNUNHLEM-INIZCTEOSA-N	287.472	4.905	70	10	CJIE	
CCCOc1ccc(N[C@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1	218184577	LPADGFKAGZJOFJ-QZCFVMSDSA-N	285.431	4.712	70	10	CJIE	
C=C(CCOc1cc(Cl)ccc1Cl)[B-](F)(F)F	1978066722	BFLAYJSHYUHVEZ-UHFFFAOYSA-N	283.893	4.705	70	10	CJIE	
Cc1ccc(C(=O)c2cn(C)c3cc(Cl)ccc23)cc1C	159620650	LKHLQOCCIWRFHI-UHFFFAOYSA-N	297.785	4.680	70	10	CJIE	
CCCN[C@@H](c1c(Cl)cnn1CC)C1CCCCCC1	160491284	NXOYWZDQLTUNRF-OAHLLOKOSA-N	297.874	4.568	70	10	CJIE	
CCc1ccccc1[C@H](Cc1ccc(F)cc1Cl)NC	160634059	DVTTZXNHONNMKB-KRWDZBQOSA-N	291.797	4.545	70	10	CJIE	
Cc1ccc2c(c1)[C@H](N[C@@H](C)Cc1cccc(Cl)c1)CC2	160785810	MKGDZUHBXVGNFH-IFXJQAMLSA-N	299.845	4.857	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](N)Cc1cccc(F)c1	160879620	JRZXKHSNFKTOMG-GOSISDBHSA-N	279.358	4.530	70	10	CJIE	
Cc1ccc2ccccc2c1CCCCNC(C)(C)C	161109593	KIZYBMHROWRVGW-UHFFFAOYSA-N	269.432	4.859	70	10	CJIE	
CN[C@H](c1cc2ccc(F)cc2s1)c1ccc(C)cc1C	161138564	NPKOVFQKUCGEPH-SFHVURJKSA-N	299.414	4.966	70	10	CJIE	
CC[C@@H]1CCCC[C@H]1N[C@H](c1ccccc1)C1CC1	217517344	HWJZCGSSIKVANX-ZTFGCOKTSA-N	257.421	4.696	70	10	CJIE	
CCC[C@H]1CC[C@@H](NCC)[C@@H](Cc2ccccc2F)C1	217723455	VZFMEHCSJCJXAN-YXJHDRRASA-N	277.427	4.563	70	10	CJIE	
O[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217871723	MHGSRTRVDNGNIG-GJXHKJHSSA-N	297.225	4.637	70	10	CJIE	
CCc1ccc([C@H](C)N[C@H]2CCC[C@@H](C)[C@@H]2C)s1	218077519	KPMLDFFJGDZJSH-OSFYFWSMSA-N	265.466	4.786	70	10	CJIE	
Cc1sc(C)c(/C=C/[B-](F)(F)F)c1Br	1882177177	MQXVNHCYBMSVSL-ONEGZZNKSA-N	283.929	4.527	70	10	CJIE	
CC(C)CCc1nc(CC(C)C)c(CNC(C)(C)C)s1	159969872	NVZHDSKFGYBTDI-UHFFFAOYSA-N	296.524	4.818	70	10	CJIE	
C[C@@H](C[C@@H](O)Cc1ccc(Cl)cc1F)CC(C)(C)C	160397317	UDNVVQYBVUUPRO-SMDDNHRTSA-N	286.818	4.845	70	10	CJIE	
O[C@@H](CC1=CCCCC1)c1ccc(C2CCC2)cc1	161054075	RNWOWCJJIIRCHV-SFHVURJKSA-N	256.389	4.878	70	10	CJIE	
CCc1ccc(C[C@H](N)c2cc3ccccc3s2)s1	161162923	WIDWWCYSHSNZPX-AWEZNQCLSA-N	287.453	4.768	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc(-c3cccnc3N)ccc21	161493677	MGPDWXFJRWDMMW-UHFFFAOYSA-N	280.415	4.680	70	10	CJIE	
CC(C)CC1(c2nc3c([nH]2)C[C@@H](C)[C@@H](C)C3)CCCC1	216970101	QLSVCNCXVXZARZ-OKILXGFUSA-N	274.452	4.638	70	10	CJIE	
C[C@H]1CCCC[C@H]1CN[C@H](C)c1cccc(OC(F)F)c1	218156724	JXARPAFCGFKITM-GUTXKFCHSA-N	297.389	4.765	70	10	CJIE	
CCCN[C@H]1CC[C@H](CCC)C[C@@H]1Oc1ccc(C)cc1	218779246	MJTRFAINPXVYCL-WDSOQIARSA-N	289.463	4.711	70	10	CJIE	
C[C@]1([B-](F)(F)F)CCN(C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2342492362	HATIJANDYWOMRE-AJNGGQMLSA-N	288.186	4.516	70	10	CJIE	
O[C@H](c1cc2cc(Cl)ccc2o1)[C@H]1C[C@@H]1c1ccccc1	159369084	VJPCIUNYOMNZCD-VKJFTORMSA-N	298.769	4.923	70	10	CJIE	
CCCN[C@H](CC(C)(C)C)c1cccc(OC2CC2)c1	159580389	JLEZWDKTMFMSLQ-QGZVFWFLSA-N	275.436	4.705	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](O)CC1CCCC1	160991349	WPBCVHOEJJWRPT-QGZVFWFLSA-N	254.373	4.762	70	10	CJIE	
CCCC[C@@H](CC)C[C@H](NCC)[C@@H]1CCCCS1	161351780	QKGGBGYFDJGPPB-PMPSAXMXSA-N	271.514	4.857	70	10	CJIE	
Cc1c([C@H](C)NCCCC2CC2)oc2ccccc12	161405117	BPPNZBVJNQHVEI-ZDUSSCGKSA-N	257.377	4.582	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1N[C@@H](C)Cc1cccs1	216628579	SWGBOAVWMSSFJO-DIECFANBSA-N	279.493	4.730	70	10	CJIE	
CCN(C(=O)Nc1cc(Cl)ccc1Cl)C(C)(C)C	217302731	PLHRPIKQVGVWOP-UHFFFAOYSA-N	289.206	4.646	70	10	CJIE	
CCCC[C@@H](CC)C[C@]1(O)C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217871488	RDXUUXTZWRJMOY-YRDXOGEASA-N	264.453	4.780	70	10	CJIE	
CC[C@@H]1CC[C@H](N)[C@@H](C[C@@H]2CCCc3ccccc32)C1	218455651	XBPZTCHIVQMMRW-XZKMEQPCSA-N	271.448	4.650	70	10	CJIE	
C=C(CCN(C)C1CCCCCCCC1)[B-](F)(F)F	2049783833	BMASNSCTQFHQPO-UHFFFAOYSA-N	276.175	4.754	70	10	CJIE	
C=CCCCCOc1ccc2cc([B-](F)(F)F)ccc2c1	2179681669	XDHXRGHSRUUOMU-UHFFFAOYSA-N	293.117	4.629	70	10	CJIE	
C=C(CCSCC1(C(F)(F)F)CCC1)[B-](F)(F)F	2251777220	AHASRIJOJUPOIL-UHFFFAOYSA-N	291.089	4.785	70	10	CJIE	
CC(C)=C(CO[C@@H]1CCC[C@@H](C)[C@@H]1C)[B-](F)(F)F	2301867852	VYLHSNPGCNIZLU-NTZNESFSSA-N	263.132	4.551	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCN(C[C@H]2C[C@H]2C2CCCCCC2)C1	2342539276	BOQAQHSSCRLYRH-KFWWJZLASA-N	288.186	4.516	70	10	CJIE	
CCCC[C@@H](CC)C[C@@H](NCC)[C@@H]1CCCCS1	161352042	QKGGBGYFDJGPPB-OAGGEKHMSA-N	271.514	4.857	70	10	CJIE	
CC[C@H](N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)C1CCCCC1	218188636	ZCMRJYNSISFNNP-DTXAGUPXSA-N	275.480	4.760	70	10	CJIE	
CN[C@@H]1CCCCCCCCCC[C@@H]1N1CCCC[C@@H]1C	218592575	KZWQTZOMVFEZNE-OTWHNJEPSA-N	294.527	4.732	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](c2ccc(Cl)c(OC)c2)C1	218711279	RNNWUAJLQBBLBY-VHDGCEQUSA-N	295.854	4.607	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](Cc2ccc(F)cc2Cl)C1	218754238	LJPCPQSQYYQFQD-BPLDGKMQSA-N	297.845	4.813	70	10	CJIE	
C=C(CCN1CCCC[C@@H]1C1CCCCC1)[B-](F)(F)F	2115067710	ITPKLZOWWYSOGT-OAHLLOKOSA-N	288.186	4.754	70	10	CJIE	
CC=CCCCOc1ccc2ccccc2c1[B-](F)(F)F	2179727399	CRAQAKPGUDRZCQ-UHFFFAOYSA-N	293.117	4.629	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](N[C@H](c1ccccc1)C(C)C)CC2	160780501	CSVZQLJOPYVENK-PMACEKPBSA-N	279.427	4.969	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](N)c1ccc(Cl)s1	160843807	BZPFVCRVJYZMPD-MRXNPFEDSA-N	287.815	4.911	70	10	CJIE	
CCCOc1ccc(NCc2coc3ccccc23)cc1	161100044	CKGABWYBUQLYJZ-UHFFFAOYSA-N	281.355	4.834	70	10	CJIE	
CN[C@H](Cc1ccc(C(C)(C)C)cc1)c1sccc1C	161288003	RNNIYQQJIYBXIU-MRXNPFEDSA-N	287.472	4.857	70	10	CJIE	
Cc1ccc(C(=O)[C@@H](C)S[C@H]2CCC[C@@H](C)C2)cc1	217876399	PMSXQFDDQXBDQZ-FMKPAKJESA-N	276.445	4.878	70	10	CJIE	
CCN[C@@H](c1cccc(Cl)c1)[C@@H]1CCC[C@@H](C)C1	217984233	UGEGOBSCBDQHMZ-XJKCOSOUSA-N	265.828	4.817	70	10	CJIE	
CCN[C@H]1CC[C@H](C(C)(C)CC)C[C@@H]1OCCC(C)C	218780676	GXPUIBCIQCUTQK-ULQDDVLXSA-N	283.500	4.632	70	10	CJIE	
CC[C@H](CCC(C)C)N(C)CC(=C(C)C)[B-](F)(F)F	2317997585	JEBYYELUTJJXEF-CYBMUJFWSA-N	278.191	4.856	70	10	CJIE	
CC(C)=C(CN1CCCC2(CCCCC2)C1)[B-](F)(F)F	2340332987	BCQYXXVIIRGCQN-UHFFFAOYSA-N	288.186	4.756	70	10	CJIE	
CCCNc1cc(Oc2ccc(CCC)cc2)ccn1	159387290	BYHOELKPEYDWHY-UHFFFAOYSA-N	270.376	4.648	70	10	CJIE	
CC(C)Cc1nc(-c2ccsc2)sc1CNC(C)C	159874377	QMNZPMHAJSDWLP-UHFFFAOYSA-N	294.489	4.568	70	10	CJIE	
CCCN[C@@H](C1=CCCCO1)c1ccc(C(C)C)cc1	159959369	FZAPNELSKSLHND-GOSISDBHSA-N	273.420	4.545	70	10	CJIE	
CCCN[C@H](C1=CCCCO1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	160335381	FRQNDVYNONZRKI-FAJBIJEISA-N	291.479	4.655	70	10	CJIE	
CC(C)[C@@H]1CCCC[C@H]1NCc1cc(F)cc(Cl)c1	160972895	QYIXNYQRPHZYDT-JKSUJKDBSA-N	283.818	4.784	70	10	CJIE	
CCN[C@H](Cc1ccc(C(C)(C)C)cc1)C[C@H](C)CC	161265677	PMPOJPFAAQMTQD-QAPCUYQASA-N	275.480	4.941	70	10	CJIE	
c1ccc2c(CN[C@@H]3C[C@@H]4C[C@@H]3[C@@H]3CCC[C@@H]43)csc2c1	217576546	GCVZWMUMIPFYLV-VUBKXWDLSA-N	297.467	4.816	70	10	CJIE	
CC[C@H]1CC[C@H](N)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	217645456	AFXAZMWLNGJJBU-LESCRADOSA-N	273.464	4.680	70	10	CJIE	
FC(F)(F)Sc1ccc(N[C@@H]2C[C@@H]3CC=C[C@H]32)cc1	218184855	VNXJAMZIMWSPKC-ZWKOPEQDSA-N	285.334	4.675	70	10	CJIE	
Cc1ccc(C(C)C)c(O[C@@H]2C[C@H](C(C)C)CC[C@H]2N)c1	218768369	WBZXIYSSDNZMAY-SZVBFZGTSA-N	289.463	4.649	70	10	CJIE	
CC(C)(C)c1ccccc1NC(=O)NC=C1CCCC1	218769780	MWFFHMBAEQELNS-UHFFFAOYSA-N	272.392	4.564	70	10	CJIE	
CC(C)C[C@@H](C)Oc1ccc2ccccc2c1[B-](F)(F)F	302602014	WJNPSPAZJJSKAS-GFCCVEGCSA-N	295.133	4.708	70	10	CJIE	
CC1(C)CCC(CN2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)CC1	1879767794	OBSPHHXXYCPPGQ-DZGCQCFKSA-N	288.186	4.516	70	10	CJIE	
CC(C)=C(CO[C@H]1C[C@H](C)CC(C)(C)C1)[B-](F)(F)F	2317997687	KMPHBTASEDYMRN-RYUDHWBXSA-N	277.159	4.941	70	10	CJIE	
CCC[C@H](C)CC(=O)c1csc(Br)c1	159478942	LBEGUVJVZUWSSF-QMMMGPOBSA-N	275.211	4.520	70	10	CJIE	
CC(C)CCC[C@H](O)c1ccc(Cl)c2cccnc12	160414599	BEOJIJBLLMLMBI-HNNXBMFYSA-N	277.795	4.748	70	10	CJIE	
CCCN[C@@H]1CC[C@H](CCC)C[C@H]1C[C@@H]1CCC(C)(C)O1	160589588	FIPHLLIIXMSWKG-XLAORIBOSA-N	295.511	4.919	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)c1c(F)cccc1F	160831535	VKIOBEYZSOKIQU-UHFFFAOYSA-N	282.289	4.657	70	10	CJIE	
CN[C@H](c1ccc(C)s1)c1c(C)ccc2ccccc12	160887936	YQQIBPCSPIQMPB-GOSISDBHSA-N	281.424	4.827	70	10	CJIE	
Cc1ccsc1[C@H](O)c1c(C)ccc2ccccc12	161007836	NBCFOKZOMOQBGO-MRXNPFEDSA-N	268.381	4.600	70	10	CJIE	
CCCNCc1oc2cc(C)cc(C)c2c1CC(C)C	161163134	GOFCGRSFUZGNOJ-UHFFFAOYSA-N	273.420	4.748	70	10	CJIE	
Cc1ccc(C(C)(C)C)c2oc(CN)c(CC(C)C)c12	161194606	FQJPDYKZEWAVNV-UHFFFAOYSA-N	273.420	4.696	70	10	CJIE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1(OC)CCC(C)(C)CC1	161266415	LJZYJXUTJKGJBQ-CABCVRRESA-N	280.452	4.757	70	10	CJIE	
CC(C)CC1(c2nc3c([nH]2)CCC[C@@H]3C)CCCC1	216969912	SAFDSGNGKYVCJE-ZDUSSCGKSA-N	260.425	4.707	70	10	CJIE	
CC[C@@H]1CCC[C@@H]([C@@H](NN)c2cc3sccc3s2)C1	217323139	ITEJBVMRGUIQLU-UEKVPHQBSA-N	294.489	4.684	70	10	CJIE	
CCN[C@@H]1CC[C@@H](CC)C[C@@H]1Cc1cc(C)ccc1C	217663198	PJMNSCZRRYBJIN-BHIYHBOVSA-N	273.464	4.650	70	10	CJIE	
CN[C@H]1CC[C@H](C(C)C)C[C@@H]1Cc1ccc(Cl)cc1	217792491	NIRVGPTWTHFOBF-ZOBUZTSGSA-N	279.855	4.543	70	10	CJIE	
CSCc1ccc(CN[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)o1	218162237	CHDWGGWDGWPCQH-XKQJLSEDSA-N	295.492	4.693	70	10	CJIE	
C[C@H]1CCCC[C@@H]1CN[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218162866	DHTOWECYHNEQTM-IMSKVBIZSA-N	263.469	4.617	70	10	CJIE	
CCN[C@H]1CC[C@H](C(C)(C)CC)C[C@@H]1N(C)[C@@H](C)C(C)C	218639033	WAHSFUFBAINUSU-XSLAGTTESA-N	296.543	4.546	70	10	CJIE	
C=C(CCOCC[C@H]1CCCCC12CC2)[B-](F)(F)F	2253888915	IYPJSOBJABAHFG-CYBMUJFWSA-N	275.143	4.696	70	10	CJIE	
Cc1cc(OCCCCC[C@@H]2C[C@H]2C)ccc1[B-](F)(F)F	2284872918	YBJHNRNNUDQOMW-TZMCWYRMSA-N	299.165	4.645	70	10	CJIE	
CCSCC[C@@H](C)N[C@@H](C)C12CC3CC(CC(C3)C1)C2	159971221	AQXJQTQHEKQFGW-PPJGCQSWSA-N	295.536	4.713	70	10	CJIE	
CCCCOCCCN[C@@H](c1cccs1)C1CCCC1	160205492	YPDGFYVLGZVHTN-QGZVFWFLSA-N	295.492	4.776	70	10	CJIE	
CCC1([C@H](Cc2ccc(F)cc2Cl)NC)CCCC1	160593244	ONBGGQOGZGDQGZ-HNNXBMFYSA-N	283.818	4.580	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](N)[C@@H]1C[C@@H]2CC[C@@H]1C2	160848842	PRUBGQFXKGVYMV-LRCYWBKYSA-N	265.400	4.584	70	10	CJIE	
CCc1ccc(C[C@H](NC)c2ccc(SC)cc2)s1	161214154	SXKHJKMXFVKTAY-INIZCTEOSA-N	291.485	4.536	70	10	CJIE	
CCCCCOc1ccc(CNCCCC2CC2)cc1	161376466	URBQZOGKFQADHB-UHFFFAOYSA-N	275.436	4.535	70	10	CJIE	
C[C@@H]1C[C@@H](N[C@H](c2ccccc2)C2CC2)CC(C)(C)C1	217733705	SDYXNZISEVTASG-ZTFGCOKTSA-N	271.448	4.942	70	10	CJIE	
CCN[C@@H](c1ccc(F)cc1C)[C@@H]1CCC[C@@H](C)C1	217980779	JHBALLIFJAJWPO-SUYBPPKGSA-N	263.400	4.611	70	10	CJIE	
Cc1cc2c(n1[C@@H]1CCC[C@@H](C)[C@H]1C)CC(C)(C)CC2=O	218608310	VUGUBJFFDDJFEZ-XNRPHZJLSA-N	287.447	4.949	70	10	CJIE	
CC(C)=C(CN(Cc1ccccc1)CC(C)C)[B-](F)(F)F	1889160936	FNLXFNPSWBGTDR-UHFFFAOYSA-N	298.181	4.868	70	10	CJIE	
CC(C)=C(COCC1(C)CC(C)(C)C1)[B-](F)(F)F	2301866427	HQYXPMOZZSQKLF-UHFFFAOYSA-N	263.132	4.552	70	10	CJIE	
Cc1cccc([C@H](O)c2ccc(OC(C)C)cc2)c1Cl	160417684	YRGUJCDOTNUAIN-QGZVFWFLSA-N	290.790	4.517	70	10	CJIE	
CC[C@@H](NCc1coc2ccccc12)c1ccc(C)cc1	161078616	PSGSWDZFEVEQPE-GOSISDBHSA-N	279.383	4.982	70	10	CJIE	
CC[C@@H]1CCC[C@H]([C@@H](NN)c2cc3sccc3s2)C1	217323143	ITEJBVMRGUIQLU-JRPNMDOOSA-N	294.489	4.684	70	10	CJIE	
CCC[C@H]1CC[C@H](NCC)[C@@H](Cc2cc(F)ccc2F)C1	217718937	KOVZNYBEMPCBGP-JOQOYGCGSA-N	295.417	4.702	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCc1ccc(Cl)cc1N	218250077	JWTNYQISHFJQCH-NUTKFTJISA-N	295.854	4.900	70	10	CJIE	
CO[C@@H]1CCCC[C@H]1N[C@@H](CC(C)(C)C)c1ccccc1	218260239	IBCAZBLGUTVJFZ-FGTMMUONSA-N	289.463	4.711	70	10	CJIE	
CC(C)=C(COC1CC2(CCCCC2)C1)[B-](F)(F)F	2317986046	LCFIRGRNEZHYHR-UHFFFAOYSA-N	275.143	4.839	70	10	CJIE	
CC(C)CNC[C@H](Cc1ccc(F)c(F)c1)C1CCCC1	160014034	NYHQLSWHBCGEPK-INIZCTEOSA-N	295.417	4.559	70	10	CJIE	
CCOc1cc(F)ccc1NCc1ccc(Cl)cc1F	160739868	JWFSEPSEJOGHIW-UHFFFAOYSA-N	297.732	4.629	70	10	CJIE	
CCC1CCC(CN[C@@H]2CCc3ccc(C)cc32)CC1	160813231	KHCVFMDURWFWLI-LADRWXRNSA-N	271.448	4.788	70	10	CJIE	
CCN[C@@H](c1c(C)ccc2ccccc12)C(F)(F)C(F)F	160925716	PNPAOAFXWOQZMF-AWEZNQCLSA-N	299.311	4.699	70	10	CJIE	
CCC[C@@H]1CC[C@H](NCC)[C@@H](Cc2ccc(F)cc2)C1	217728525	AVMBMJJTVGCVCJ-KYJSFNMBSA-N	277.427	4.563	70	10	CJIE	
CC[C@H](N)[C@H](O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(C)(C)C	218253261	PDUMPGCDMYTUGB-NNXHMXCWSA-N	283.500	4.616	70	10	CJIE	
Cc1ccccc1[C@@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)[C@H](C)N	218265602	FCDMHMFSLBOYOS-VUNQQRPYSA-N	289.463	4.615	70	10	CJIE	
CCN[C@H]1CCCCCCCCCC[C@H]1N1CC[C@@H](C)C1	218663915	PRAAGLVFKGXGFO-CEXWTWQISA-N	294.527	4.590	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](c2ccc(Cl)c(OC)c2)C1	218711432	RNNWUAJLQBBLBY-BPLDGKMQSA-N	295.854	4.607	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@H]1c1cc(Br)ccc1Cl	1885275688	WWBRQTXCYYMZIJ-POYBYMJQSA-N	298.318	4.807	70	10	CJIE	
C=C(CN(CC(C)C)C1CCCCCC1)[B-](F)(F)F	2076548934	NEAPTIOXCKPXDA-UHFFFAOYSA-N	276.175	4.610	70	10	CJIE	
C=C(CCOC[C@@H]1C[C@H]1C1CCCCC1)[B-](F)(F)F	2079949370	UNBBYBQQMAODDN-KBPBESRZSA-N	275.143	4.552	70	10	CJIE	
C[C@H](C[C@@H](O)c1cccc2c1OCCC2)CC(C)(C)C	159752497	QZCYAHDJXJJCQV-CZUORRHYSA-N	276.420	4.507	70	10	CJIE	
Cc1ccc([C@@H](C)N[C@@H]2CCC[C@@H](C3CC3)C2)cc1	159897343	QKZPVIRXCPREPE-ZTFGCOKTSA-N	257.421	4.614	70	10	CJIE	
CCc1ccc([C@H](N)c2cccc(C)c2Cl)cc1CC	160326221	HYEPRJCPKKLYRF-SFHVURJKSA-N	287.834	4.821	70	10	CJIE	
Cc1cccc([C@@H](O)c2ccc(CC(C)C)cc2)c1Cl	160412725	SFRNPXDKKNHELD-SFHVURJKSA-N	288.818	4.929	70	10	CJIE	
CCc1ccc(C[C@@H](N)c2csc3ccccc23)s1	161123978	AFGZJLYWURAMKL-OAHLLOKOSA-N	287.453	4.768	70	10	CJIE	
CCN[C@@H](c1ccc(C(C)C)cc1)[C@@H]1CCCCS1	161318491	SBRZZQDNNLMRPQ-IRXDYDNUSA-N	277.477	4.746	70	10	CJIE	
CCCN[C@@H](C)c1c(F)cccc1N1CCC[C@@H](C)CC1	216822477	BOVYXRASKFKWOM-CABCVRRESA-N	292.442	4.513	70	10	CJIE	
N[C@@]1(c2cc(Cl)ccc2Cl)C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217888370	AJUXBHYXOBNYDQ-YMXDLSOXSA-N	296.241	4.604	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCCN(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2225270491	XYMRZYCIZNIWCK-CBBWQLFWSA-N	288.186	4.516	70	10	CJIE	
C[C@]1([B-](F)(F)F)CCN(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2342526129	JJEYQXAEMTWCHS-YJNKXOJESA-N	288.186	4.516	70	10	CJIE	
CCCN[C@@H](CSCc1cccc(C)c1)C1CCCC1	159372631	MEAKAEMWFTWFAV-SFHVURJKSA-N	291.504	4.787	70	10	CJIE	
O[C@H](CCC1CCCC1)c1cc2cccc(F)c2o1	159515245	ZIWRGRMIAGEHBV-CQSZACIVSA-N	262.324	4.576	70	10	CJIE	
CC(C)NCc1sc([C@@H]2CCC[C@@H](C)C2)nc1C1CC1	159534909	DMWVJYTUMRRDPS-TZMCWYRMSA-N	292.492	4.812	70	10	CJIE	
CCCN[C@@H](C1=CCCCO1)C1CCC(CCC)CC1	160043296	JEGGDPAESMYTGA-LEOMRAHMSA-N	279.468	4.655	70	10	CJIE	
CCCN[C@H](c1ccc(CC)o1)c1cccc(C)c1Cl	160311734	KKOOZCMZVZYGGV-KRWDZBQOSA-N	291.822	4.893	70	10	CJIE	
CN[C@@H](c1cc(C)c(F)c(C)c1)c1cccc(C)c1Cl	160317457	YCIJYVBZTJTCRP-KRWDZBQOSA-N	291.797	4.713	70	10	CJIE	
CCCN[C@@H](CC)c1cccc(-c2cncc(C)c2)c1	161020411	PWHVZUAHJLZTRZ-SFHVURJKSA-N	268.404	4.508	70	10	CJIE	
Cc1ccc(N[C@H]2CCCc3ccccc32)cc1N(C)C	161149676	MADRUQQZZYEPPB-SFHVURJKSA-N	280.415	4.551	70	10	CJIE	
Cc1ccccc1C[C@H](C)N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218100940	IWLQPYVGDXQWOP-WOGUSJMUSA-N	285.475	4.730	70	10	CJIE	
C[C@@H](F)c1csc2cc(Br)ccc12	218331523	GQDOYNMHPHQTPF-ZCFIWIBFSA-N	259.143	4.694	70	10	CJIE	
CCCNCc1sc([C@H]2CCC[C@H](C)C2)nc1C1CC1	159503061	IHHGARDVVQJYKZ-JSGCOSHPSA-N	292.492	4.814	70	10	CJIE	
Cc1ccc(Cl)cc1[C@H](O)c1cc2cccc(F)c2o1	159516081	FKJGGMRVAZHRFY-HNNXBMFYSA-N	290.721	4.615	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](Nc1cccc3ncccc13)CC2	160755153	OWRCVMVYOKBLLL-IBGZPJMESA-N	274.367	4.643	70	10	CJIE	
CCN[C@@H](c1ccsc1)c1c(C)ccc2ccccc12	160923812	QMHRDWBZEJWGHV-SFHVURJKSA-N	281.424	4.909	70	10	CJIE	
O=C(CC1=CCCCC1)C[C@@H]1CCCc2ccccc21	161013262	MOVAGCZDGQPNAA-KRWDZBQOSA-N	268.400	4.956	70	10	CJIE	
Cc1c(Cl)nnc(O[C@H]2C[C@@H](C)CC[C@H]2C(C)C)c1C	217906949	LBAQVVBXNLNIEV-BPNCWPANSA-N	296.842	4.586	70	10	CJIE	
CCCN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[C@@H](C)C1	218033029	LWBSKMPWXNHRBQ-KYJSFNMBSA-N	275.436	4.562	70	10	CJIE	
CCNC[C@@H]1CC[C@H](CC)C[C@@H]1Cc1cc(F)ccc1C	218342165	KVGVKAOGVNTUHO-XYJFISCASA-N	291.454	4.729	70	10	CJIE	
Cc1ccc(OCCCCCC(C)C)c([B-](F)(F)F)c1	383179458	UQSMHJAEMDRFCD-UHFFFAOYSA-N	287.154	4.645	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](N)c1cc2c(s1)CCC2	160844446	ZUTRBLBKMWEHGW-IBGZPJMESA-N	293.435	4.747	70	10	CJIE	
N[C@H](CC1CCCCC1)c1ccc(C(F)(F)F)cc1	161038203	YPEXSSFTXQBBMS-CQSZACIVSA-N	271.326	4.676	70	10	CJIE	
CCO[C@@]1(C(=O)c2ccc(C(C)C)cc2)CCC[C@@H](C)C1	161225232	RANMOUZELSCZST-BEFAXECRSA-N	288.431	4.978	70	10	CJIE	
CCO[C@H](C(=O)c1cc(C)c(C)cc1C)C1CCCCC1	161470277	KRVGOWMVLVGOFJ-IBGZPJMESA-N	288.431	4.780	70	10	CJIE	
CN[C@H]1CC[C@@H](C(C)C)C[C@@H]1Cc1ccc(Cl)s1	217794571	LDNMCWOTBOXQNI-BZPMIXESSA-N	285.884	4.604	70	10	CJIE	
O[C@@]1(c2cc(Cl)ccc2Cl)C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217873167	HFWWLMZSUWMAGK-NDPRJGJWSA-N	297.225	4.637	70	10	CJIE	
N[C@]1(c2cc(Cl)ccc2Cl)C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217888302	AJUXBHYXOBNYDQ-GJXHKJHSSA-N	296.241	4.604	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCCN[C@@H]1CCC[C@@H](C)C1	217896577	JUIQQINVIKILKY-LFDJNIOPSA-N	295.511	4.632	70	10	CJIE	
C1=C[C@@H]2[C@@H](C1)C[C@H]2Nc1cccc(Oc2ccccc2)c1	218135617	JFFGFMKAEUBMPM-GDIGMMSISA-N	277.367	4.855	70	10	CJIE	
Cc1cc([C@H](O)c2cc3cccc(F)c3o2)ccc1Cl	159510596	VEQZGSKZYDFEEY-HNNXBMFYSA-N	290.721	4.615	70	10	CJIE	
CCSCC[C@@H](C)N[C@H](C)c1ccc(C(C)C)cc1	160036937	SSSMKXHYKKEBMD-HUUCEWRRSA-N	279.493	4.992	70	10	CJIE	
Cc1ccc(F)c(C(=O)c2c(C)ccc3ccccc23)c1	160820415	VFHVKFFFNBXBDT-UHFFFAOYSA-N	278.326	4.827	70	10	CJIE	
CCCOc1ccccc1NCc1coc2ccccc12	161073565	DIJUEXSQBFBLTH-UHFFFAOYSA-N	281.355	4.834	70	10	CJIE	
CCCc1c(CN)oc2c1cc(Cl)c1ccccc12	161437115	UMVAPIPRVXIPSH-UHFFFAOYSA-N	273.763	4.651	70	10	CJIE	
CC[C@H](C)c1ccccc1NC(=O)NCC1CCCCC1	217606788	WPKBYZAIDAWLNK-AWEZNQCLSA-N	288.435	4.902	70	10	CJIE	
Cc1cc(CC[Si](Cl)(Cl)Cl)ccc1Cl	247946157	WJVRMVZVXPSJBF-UHFFFAOYSA-N	288.077	4.846	70	10	CJIE	
Cc1cc(Br)sc1[C@@H]1C[C@H]1[B-](F)(F)F	1882176519	HTQOWJMBHAMNEM-PHDIDXHHSA-N	283.929	4.524	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1OCC[C@@H]1CCC[C@@H](C)C1	2279814751	UPXLLGUEEVQIQL-OCCSQVGLSA-N	299.165	4.645	70	10	CJIE	
Cc1cccc([C@@H](C)N[C@H]2CCC[C@@H](C3CC3)C2)c1	160158350	VPQQXGFNHWGZCM-OLMNPRSZSA-N	257.421	4.614	70	10	CJIE	
CCCCCCNCc1ccc(Cl)c2cccnc12	160307281	LRLDBYAAMSZUQT-UHFFFAOYSA-N	276.811	4.558	70	10	CJIE	
CCCN[C@@H](Cc1ccc(Cl)s1)C1C(C)(C)C1(C)C	160933161	AIRVLKTTWJXZOR-LBPRGKRZSA-N	299.911	4.994	70	10	CJIE	
CCN[C@H](CC1CCCCC1)c1cccc(C)c1C	160996809	VKQYLGIDMBLNPS-GOSISDBHSA-N	259.437	4.924	70	10	CJIE	
CCOC1(C(=O)[C@@H]2CCC[C@@H](CC)C2)CCC(C)CC1	161001592	USTGZKVFAHDKDL-GARNVTTQSA-N	280.452	4.757	70	10	CJIE	
CCOC1(C(=O)c2cc(C)ccc2F)CCC(C)(C)CC1	161239285	SHCDOPRHWWZNKA-UHFFFAOYSA-N	292.394	4.692	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1cc(F)cc(F)c1	161349953	GNQIKVMYIYMZBL-MRXNPFEDSA-N	265.347	4.506	70	10	CJIE	
CCCN[C@@H](CCc1ccccc1)CC1=CCCCC1	161385256	UVTKXWAAMGDDBN-IBGZPJMESA-N	271.448	4.878	70	10	CJIE	
CC[C@H](C)c1ccc(C(=O)c2cc(OC)cs2)cc1	161429038	YHICKXZDBCRKGX-NSHDSACASA-N	274.385	4.501	70	10	CJIE	
CCO[C@@H](C(=O)C1CCC(CC)CC1)C1CCCCC1	161484751	FXCSZSLDUDQOSO-JTTJXQCZSA-N	280.452	4.757	70	10	CJIE	
CCN[C@@H]1CC[C@H](C(C)C)C[C@@H]1Cc1ccc(CC)s1	217797108	KLQBLJYMPWWJPH-HDMKZQKVSA-N	293.520	4.903	70	10	CJIE	
CSc1ccc(CN[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1	217861474	NHBBSHNULLMPNW-QGTPRVQTSA-N	291.504	4.959	70	10	CJIE	
CC(C)Oc1ccc([C@@]2(N)C[C@H](C)CC[C@@H]2C(C)C)cc1	217880273	TWVGVYLIFXDOKB-LZQZEXGQSA-N	289.463	4.720	70	10	CJIE	
C[C@H]1C[C@@H](N[C@@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)CC(C)(C)C1	218016402	NAWWQXLTTCKLAO-ZQBXRDLCSA-N	275.480	4.616	70	10	CJIE	
CCCN[C@@H](Cc1cccc(C)c1)[C@@H]1CCC[C@@H](C)C1	218029928	NUCADWXXFGRUNL-QRQLOZEOSA-N	273.464	4.732	70	10	CJIE	
COc1ccc(C)cc1N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218069893	SULGAKCBKBXZPV-RPVQJOFSSA-N	273.420	4.630	70	10	CJIE	
Cc1cc(C)cc(N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1	218071558	GRPSGILSKLDRIN-QILLFSRXSA-N	257.421	4.930	70	10	CJIE	
C[C@H]1CCCC[C@@H]1CN[C@H](C)c1cccc(OC(F)F)c1	218156786	JXARPAFCGFKITM-GZBFAFLISA-N	297.389	4.765	70	10	CJIE	
Cc1cc(OCC[C@H]2CCC[C@H](C)C2)ccc1[B-](F)(F)F	2279818617	XWVLDDRBDQCBQS-GXTWGEPZSA-N	299.165	4.645	70	10	CJIE	
COc1cccc(SCC(=C(C)C)[B-](F)(F)F)c1	2301863800	HLABXJDBRSTEKT-UHFFFAOYSA-N	275.124	4.510	70	10	CJIE	
CNCc1sc(C2CCCCCCC2)nc1C1CC1	159407325	DHWYQWVNFXSFNG-UHFFFAOYSA-N	278.465	4.568	70	10	CJIE	
C[C@H](C[C@@H](O)c1cc2cccc(F)c2o1)C(C)(C)C	159514822	BUKHXRDWJCWWBN-ZWNOBZJWSA-N	264.340	4.678	70	10	CJIE	
Cc1cccc(C)c1C[C@@H](CNC(C)C)C1CCCC1	159965705	YWVOZYPAUQSNTP-SFHVURJKSA-N	273.464	4.650	70	10	CJIE	
Cc1ccc2c(c1)[C@H](Nc1cnc3ccccc3c1)CC2	160784530	IXUOXVWZOCIZGT-LJQANCHMSA-N	274.367	4.643	70	10	CJIE	
CC(C)c1ccc(C(=O)C(F)(F)F)c(C(C)C)c1	160797073	WSUMIULAVWEWCY-UHFFFAOYSA-N	258.283	4.678	70	10	CJIE	
CCOC1(C(=O)c2ccc(C(C)C)cc2)CCCCC1	160841397	QRZRYTBWKKTODU-UHFFFAOYSA-N	274.404	4.732	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)Cc1ccc(C(C)C)cc1	161276899	IGXFVWSQZLLFRW-IBGZPJMESA-N	271.448	4.831	70	10	CJIE	
CC[C@@H](N[C@H]1C[C@@H](C)CC[C@@H]1C(C)C)c1ccc(O)cc1	217869462	ZXZYQHXGMQVTRO-PIKADFDJSA-N	289.463	4.894	70	10	CJIE	
CC(C)[C@@H](N[C@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1	217896717	YFJUWEBVUIDDKM-MXSMSXNCSA-N	259.437	4.798	70	10	CJIE	
CC[C@H]1CC[C@@H](N)[C@@H](C[C@@H]2CCCc3ccccc32)C1	218455566	XBPZTCHIVQMMRW-ITQYTPKQSA-N	271.448	4.650	70	10	CJIE	
C=C(CSc1ccc2ccccc2c1)[B-](F)(F)F	236130401	UGPMQOYVLWYXHS-UHFFFAOYSA-N	267.104	4.875	70	10	CJIE	
CC(C)c1ccccc1CN1CCC([B-](F)(F)F)CC1	2231073766	VDMRNKHQYOCNIQ-UHFFFAOYSA-N	284.154	4.623	70	10	CJIE	
CCN[C@@H](C1=CCCCC1)C1C2CC3CC(C2)CC1C3	160144182	HBVIAYTYBAZGHO-RUMSHHPPSA-N	273.464	4.537	70	10	CJIE	
CCCOc1cccc(N[C@@H]2CCc3ccc(C)cc32)c1	160785285	JOGNAUTZUGHAPO-LJQANCHMSA-N	281.399	4.883	70	10	CJIE	
CCCc1cccc([C@@H](O)c2cc(F)cc(Cl)c2)c1	161230629	GUTKSAGAEHQZRS-MRXNPFEDSA-N	278.754	4.513	70	10	CJIE	
CCC[C@H](c1ccccc1)[Si](Cl)(Cl)Cl	198514094	CGMIUEOCNPJZLT-SNVBAGLBSA-N	267.659	4.765	70	10	CJIE	
CCCN[C@@H](C)c1cc(F)ccc1N1CCC[C@@H](C)CC1	216822751	LABWZJHSJFCAEN-CABCVRRESA-N	292.442	4.513	70	10	CJIE	
CCc1cccc(CC)c1NC(=O)Nc1cccs1	217305766	YAFBBDWKXVDXBJ-UHFFFAOYSA-N	274.389	4.517	70	10	CJIE	
Cc1cc(C)c(NC(=O)NCC2CCCCC2)c(Cl)c1	217604720	HBIGTXFQDOZRGD-UHFFFAOYSA-N	294.826	4.659	70	10	CJIE	
CC[C@H]1CC[C@@H](N)[C@@H](Cc2c(Cl)cccc2Cl)C1	217642065	JORJXWITGTWTAX-FIXISWKDSA-N	286.246	4.690	70	10	CJIE	
CC[C@H](N)[C@@H](S[C@H](C)CC)c1ccc(Cl)s1	217935080	OOJJRFLUPNLBDB-VDDIYKPWSA-N	277.886	4.712	70	10	CJIE	
CC(C)c1ccc(NC(=O)N/C=C/c2cccc(F)c2)cc1	217966089	HWGDIYAJWLZVPI-ZHACJKMWSA-N	298.361	4.742	70	10	CJIE	
COc1ccc(C)cc1N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218069812	SULGAKCBKBXZPV-MZMPZRCHSA-N	273.420	4.630	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@@H](O)[C@@H](C/C=C/c2ccccc2)C1	218306923	OWNRNUHIFBBYKM-DHNZNOCSSA-N	272.432	4.913	70	10	CJIE	
CCNC[C@@H](O[C@H]1CCCC[C@@H]1CC)c1ccc(C)cc1	218746041	HZOCNWQRINXEOJ-YTQUADARSA-N	289.463	4.631	70	10	CJIE	
CCCCCCCCCCCC[C@@H](C)S(=O)(=O)F	1952268911	PPJPHVYAHQFQOI-CQSZACIVSA-N	280.449	4.985	70	10	CJIE	
F[B-](F)(F)[C@H]1CCCN(CC[C@H]2CCCCC23CC3)C1	2264940267	LPPWWYXXWCYHHY-KGLIPLIRSA-N	288.186	4.660	70	10	CJIE	
CCCCC[C@H](NCC)c1cccc(OC(F)F)c1	159650900	GEIUCHCIFRSXJR-AWEZNQCLSA-N	271.351	4.519	70	10	CJIE	
CC(C)(C)c1ccc([C@@H]2CCNC[C@H]2C2CCCC2)s1	160125922	VWALFMFGQPJXIT-CABCVRRESA-N	291.504	4.929	70	10	CJIE	
CCCN[C@@H](C1=CCCCO1)c1cc2sccc2s1	160277916	QPWIWMMFVGPMJP-HNNXBMFYSA-N	293.457	4.698	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](Nc1ccc(OC(F)F)cc1)CC2	160762309	JFSXXKMKQOQEDI-INIZCTEOSA-N	289.325	4.696	70	10	CJIE	
N[C@H](CCC1CCCC1)C12CC3CC(CC(C3)C1)C2	217764487	DQNSETFUAVFLCI-AWDGRILASA-N	261.453	4.501	70	10	CJIE	
Cc1cc(C)cc(N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1	218071707	GRPSGILSKLDRIN-UWWQBHOKSA-N	257.421	4.930	70	10	CJIE	
CCCCN([C@@H](C)CC)[C@@H](C(C)C)[C@@H](O)c1ccccc1	218533585	QQWRUQDJURSNIW-WDSOQIARSA-N	291.479	4.645	70	10	CJIE	
CC[C@H]1CCCC[C@H]1[C@@H](NC)c1cccc(Cl)c1F	218731045	RZMDMJDGVJAMRN-HWWQOWPSSA-N	283.818	4.956	70	10	CJIE	
C=C(COc1cc(C)ccc1C(C)(C)C)[B-](F)(F)F	235758157	WPIPUILMXVEHNV-UHFFFAOYSA-N	271.111	4.614	70	10	CJIE	
F[B-](F)(F)/C=C\c1cccc(SC(F)(F)F)c1	381048075	GFHRPXCPUYKKTO-PLNGDYQASA-N	271.014	4.698	70	10	CJIE	
C=C(CCSC[C@H]1CC[C@H](C)CC1)[B-](F)(F)F	1899442443	RRTPTWFKDYLSNX-UMSPYCQHSA-N	265.173	4.879	70	10	CJIE	
C=C(COCC[C@@H](C)CCC=C(C)C)[B-](F)(F)F	2248811527	INKJPRYKQXLEID-LBPRGKRZSA-N	263.132	4.718	70	10	CJIE	
CC(C)=C(COC[C@H]1C[C@@H]1c1ccccc1)[B-](F)(F)F	2340153562	ZDTNTOCWPIPZEP-ZIAGYGMSSA-N	283.122	4.530	70	10	CJIE	
CC[C@@H]1CCC[C@@H]([C@H](NC)c2c(Cl)cnn2C(C)C)C1	160536557	AOUMQSRHJAQNCL-NFAWXSAZSA-N	297.874	4.594	70	10	CJIE	
Cc1ccc(C(=O)c2c(C)ccc3ccccc23)c(F)c1	160814991	WFGZZZJRPHOAJC-UHFFFAOYSA-N	278.326	4.827	70	10	CJIE	
Cc1ccc2c(c1)[C@H](NCC(C)(C)c1cccs1)CC2	160836038	DZXFSGBGFBQLDG-MRXNPFEDSA-N	285.456	4.611	70	10	CJIE	
CCN[C@H](c1ccc(C)o1)c1c(C)ccc2ccccc12	160916701	JDTHGFONGOZJGC-LJQANCHMSA-N	279.383	4.749	70	10	CJIE	
CN[C@@H](c1ccc(C)cc1)c1cc2ccc(F)cc2s1	161138043	WTIVMDHEQYQVPQ-KRWDZBQOSA-N	285.387	4.658	70	10	CJIE	
Cc1cccc(NC(=O)Nc2ccccc2C(C)(C)C)c1	217304727	OBVKKWDICJJZPX-UHFFFAOYSA-N	282.387	4.937	70	10	CJIE	
CSc1ccc(CN[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1	217861550	NHBBSHNULLMPNW-OLMNPRSZSA-N	291.504	4.959	70	10	CJIE	
CCc1ccc([C@H](NC)[C@@H](c2ccccc2)[C@H](C)CC)o1	217901041	SMYXUGNVUPIOTH-ZMYBRWDISA-N	285.431	4.932	70	10	CJIE	
CC(C)(C)c1ccc(NC(=O)N/C=C/C2CCCC2)cc1	218606747	PLTJPOUMZHNDJA-OUKQBFOZSA-N	286.419	4.810	70	10	CJIE	
CC(C)C[C@H](CNC(C)(C)C)[C@@H]1C[C@@H]1c1ccccc1	159384234	ILMLBURQYCLGMF-KURKYZTESA-N	273.464	4.841	70	10	CJIE	
CCCNC[C@H](Cc1ccc2c(c1)CCC2)C1CCCC1	159946211	RZZVCXXPOLITIP-FQEVSTJZSA-N	285.475	4.524	70	10	CJIE	
FC(F)c1cccc([C@@H]2CCNC[C@@H]2C2CCCC2)c1	160104366	FEUBDNWGKZEHOS-JKSUJKDBSA-N	279.374	4.508	70	10	CJIE	
FC(F)c1cccc([C@@H]2CCNC[C@H]2C2CCCC2)c1	160104625	FEUBDNWGKZEHOS-HOTGVXAUSA-N	279.374	4.508	70	10	CJIE	
CN[C@@H](Cc1ccc(Cl)cc1Cl)c1cc(C)oc1C	160458351	KGCSUCSVWNONKN-HNNXBMFYSA-N	298.213	4.706	70	10	CJIE	
CCCN[C@H](Cc1ccc(Cl)s1)c1cc(C)oc1C	160865049	FCOIZDXRDNZEKV-CQSZACIVSA-N	297.851	4.895	70	10	CJIE	
CNCc1ccc(-c2c(C)ccc3ccccc23)cc1	160955863	ATMRWWJWFCNQSY-UHFFFAOYSA-N	261.368	4.535	70	10	CJIE	
Cc1ccc(N[C@@H]2CCCc3sccc32)cc1N(C)C	161211227	LCUQIJIYUAQYCG-OAHLLOKOSA-N	286.444	4.612	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1cc(C)cc(C)c1	161359381	CIVGKMCJOGQCLA-GOSISDBHSA-N	257.421	4.845	70	10	CJIE	
CC(C)Oc1cccc([C@@H](C)NC2[C@@H](C)CCC[C@@H]2C)c1	217701058	XOBYHYJHWAFNLF-HRCADAONSA-N	289.463	4.949	70	10	CJIE	
CN[C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1Cc1ccc(Cl)cc1	217759320	LEIBYXQNELZNSG-UXLLHSPISA-N	293.882	4.933	70	10	CJIE	
CCCCN([C@H](C)CC)[C@H](c1cccc(Cl)c1)[C@@H](C)N	217830761	LCEAMRNDMNTXKC-CPUCHLNUSA-N	296.886	4.629	70	10	CJIE	
C[C@H]1CCCC[C@H]1CN[C@H](C)c1nc2ccccc2s1	218417044	HAFHARNPCMKAEG-MJBXVCDLSA-N	288.460	4.773	70	10	CJIE	
C=C(CCSc1cc(C)ccc1C)[B-](F)(F)F	1978059597	HMZBBTWVDQHEKG-UHFFFAOYSA-N	259.125	4.728	70	10	CJIE	
CC1(C)C([C@@H](O)c2cc3cc(Cl)ccc3o2)C1(C)C	159370229	ZFUKHXQWOCITJQ-ZDUSSCGKSA-N	278.779	4.802	70	10	CJIE	
CCCCCC[C@@H](NC)C1(OCC)CCC(C)CC1	159888865	BCTFKLVGWGGDGE-AQFXKWCLSA-N	269.473	4.530	70	10	CJIE	
COc1cc(N[C@H]2CCCCc3ccccc32)ccc1F	160051885	DFYVDAOTYZHJBC-KRWDZBQOSA-N	285.362	4.714	70	10	CJIE	
CC[C@@H]1Nc2cccc(Cl)c2O[C@@H]1c1ccccc1	160544226	HIVKHRYWKINMSK-DZGCQCFKSA-N	273.763	4.664	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](N)c1ccc(Cl)s1	160843933	BZPFVCRVJYZMPD-INIZCTEOSA-N	287.815	4.911	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](N)c1ccc(Cl)cc1F	160844983	GQMFSYNEMQOFCG-SFHVURJKSA-N	299.776	4.989	70	10	CJIE	
CO[C@@H](C(=O)c1ccc(C2CCC2)cc1)c1ccccc1	161507831	FANHJRWXKHKRFW-LJQANCHMSA-N	280.367	4.525	70	10	CJIE	
Clc1ccc(Cl)c(-c2cccc3c2NCC3)c1	217040509	DNOSYSPLWVMYTF-UHFFFAOYSA-N	264.155	4.628	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCCNCC1CCCCC1	217895169	GMOJDAPDUOJYBG-UHOSZYNNSA-N	295.511	4.634	70	10	CJIE	
CCC(C)(C)COc1ccc2cc([B-](F)(F)F)ccc2c1	713236858	SRHKAYIBLBGGHY-UHFFFAOYSA-N	295.133	4.709	70	10	CJIE	
Cc1cc(OCCC[C@@H]2CC2(C)C)c(C)c([B-](F)(F)F)c1	2144440759	RHHBSKLIIPJSSD-CYBMUJFWSA-N	299.165	4.563	70	10	CJIE	
C=C(COCCC1CCCCCCC1)[B-](F)(F)F	2302997189	BXXCJFKTZUIUGV-UHFFFAOYSA-N	263.132	4.696	70	10	CJIE	
CCCCC[C@H](NCC)c1cccc(OC(C)C)c1	159600553	VMNMPSRKVNYUSC-KRWDZBQOSA-N	263.425	4.705	70	10	CJIE	
CCSCC[C@H](C)N[C@H](CC)c1ccc(CC)cc1	160064954	MJOFAZNLUKFXTP-WMLDXEAASA-N	279.493	4.821	70	10	CJIE	
Cc1ccc(C)c([C@@H](O)c2c(C)ccc3ccccc23)c1	161004188	SATDSAGOIHBREG-HXUWFJFHSA-N	276.379	4.847	70	10	CJIE	
CCCc1ccc2oc(CNC3CC3)c(C3CC3)c2c1	161454601	BSZBSKPHCAEZJE-UHFFFAOYSA-N	269.388	4.515	70	10	CJIE	
CCCN[C@H](Cc1ccccc1C)[C@H]1CCC[C@@H](C)C1	218030488	JSHREBNUDYHFIP-AYOQOUSVSA-N	273.464	4.732	70	10	CJIE	
CCN[C@H]1CC[C@H](C(C)(C)CC)C[C@@H]1N(C)CC(C)(C)C	218706841	DOJODGWIVHHCLJ-ULQDDVLXSA-N	296.543	4.547	70	10	CJIE	
Cc1cc(Br)c([C@@H]2C[C@H]2[B-](F)(F)F)s1	1882185027	NJGABQBNDPOIJJ-PHDIDXHHSA-N	283.929	4.524	70	10	CJIE	
O[C@H](c1ccccc1C1CCC1)[C@@H]1C[C@H]1c1ccccc1	160010194	DUHGMHUEXHQQDT-XUVXKRRUSA-N	278.395	4.791	70	10	CJIE	
COc1cc(N[C@H](C)c2cc(C)ccc2C)ccc1F	160094697	QTGWIPAETKNUND-CYBMUJFWSA-N	273.351	4.624	70	10	CJIE	
COc1c(C)ccc(N[C@@H]2CCc3ccc(C)cc32)c1C	160800448	LZGFWVCGRZMULO-GOSISDBHSA-N	281.399	4.720	70	10	CJIE	
CN[C@H](c1cccc(F)c1)c1c(C)ccc2ccccc12	160896564	KOIXRCKMTZNKJY-LJQANCHMSA-N	279.358	4.596	70	10	CJIE	
CCNCC[C@@H](C)CCc1c(C)ccc2ccccc12	161110348	KFKNPCVGAIBGSP-HNNXBMFYSA-N	269.432	4.717	70	10	CJIE	
CC[C@H](C)c1ccccc1NC(=O)Nc1ccccc1O	217278541	YNSUMYHPCXGSLX-LBPRGKRZSA-N	284.359	4.550	70	10	CJIE	
Cc1ccc([C@]2(N)C[C@@H](C)CC[C@H]2C(C)C)cc1C	217883576	UBRLYWUAELBXCW-DOPJRALCSA-N	259.437	4.550	70	10	CJIE	
CCCOc1ccc(Cl)cc1N[C@H]1C[C@@H]2CC=C[C@H]21	218102755	WFOQGIAEKISFMN-YUTCNCBUSA-N	277.795	4.505	70	10	CJIE	
CC(C)Cc1cccc([C@@H](O)c2cc3c(s2)CCC3)c1	159834321	MMTLJRBRZQMBFL-GOSISDBHSA-N	286.440	4.517	70	10	CJIE	
O[C@@H](Cc1c(F)cccc1F)c1ccccc1C1CCC1	160014208	XQYSQWOYIWLAAE-SFHVURJKSA-N	288.337	4.508	70	10	CJIE	
CCOc1cc(C)ccc1N[C@H]1CCc2ccc(C)cc21	160810203	IPCAFFRMKPKYMU-KRWDZBQOSA-N	281.399	4.802	70	10	CJIE	
CCOc1ccc(NCc2cc(F)cc(Cl)c2)c(C)c1	160901605	LQJSWTVBQPBKHZ-UHFFFAOYSA-N	293.769	4.798	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](O)CC[C@@H]1CCCCO1	160985284	IYIGKYJQASWWRU-FUHWJXTLSA-N	284.399	4.531	70	10	CJIE	
Cc1cc(F)c([C@@H](C)Nc2cccc(N(C)C)c2)cc1F	161070517	HAVNXZZFVDACDK-GFCCVEGCSA-N	290.357	4.512	70	10	CJIE	
Cc1cc(CN[C@H]2C[C@H](C)CC[C@H]2C(C)C)c(C)s1	217522029	QPGJPKOGEGZZGC-DQYPLSBCSA-N	279.493	4.915	70	10	CJIE	
CCCN[C@@H](c1cccc(C)c1)[C@@H]1CCC[C@@H](C)C1	218029686	SUEJXVIXTBAQKB-NXHRZFHOSA-N	259.437	4.862	70	10	CJIE	
CCCCCC(CCCCC)N[C@@H]1CCN2CCCC[C@@H]12	218126017	PKAGHOKQRJZNKC-MOPGFXCFSA-N	294.527	4.732	70	10	CJIE	
CCCCCN(C(C)C)[C@@H](C(C)C)[C@@H](O)c1ccccc1	218530293	NGBLNBGGCYBUNT-OALUTQOASA-N	291.479	4.645	70	10	CJIE	
CC(C)Cc1ccc([C@H](C)N[C@@H]2C[C@@H]3CC=C[C@@H]32)cc1	218572389	HFEBRJQIDAAZJR-UDTPNQRGSA-N	269.432	4.500	70	10	CJIE	
C=C(CCN(C)[C@@H](C)[C@@H]1CCCC(C)(C)C1)[B-](F)(F)F	2112219470	DQDBMZDXUSYKOA-UONOGXRCSA-N	290.202	4.856	70	10	CJIE	
C=C(COCCCCCCCCC)[B-](F)(F)F	2212456779	KXFNLSUKVFLIES-UHFFFAOYSA-N	251.121	4.696	70	10	CJIE	
CCN(CC(=C(C)C)[B-](F)(F)F)Cc1ccc(C)cc1	2340156580	LWNZSHDSDWOTTM-UHFFFAOYSA-N	284.154	4.540	70	10	CJIE	
CCCCOCCCN[C@H](C)c1cccc2ccccc12	160238113	XWILHKKLVGYHPX-MRXNPFEDSA-N	285.431	4.697	70	10	CJIE	
Cc1ccc(C(=O)c2cc3ccc(F)cc3s2)s1	160953909	UBSAQYALXRQUCJ-UHFFFAOYSA-N	276.357	4.641	70	10	CJIE	
CNCc1ccccc1-c1c(C)ccc2ccccc12	160955077	RJKOPNMAISIHGH-UHFFFAOYSA-N	261.368	4.535	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](O)c1cc2c(s1)CCC2	161008766	NDGDMQLRCVWISV-IBGZPJMESA-N	294.419	4.780	70	10	CJIE	
CCN[C@H](CC1CCCCC1)c1cccc(C)c1F	161061223	YURAXBZKVBVJSB-MRXNPFEDSA-N	263.400	4.755	70	10	CJIE	
CCCN[C@H](c1cc(C)cc(C)c1)[C@H]1CCCCS1	161415019	KEPDQXPPIDSLOO-IAGOWNOFSA-N	277.477	4.630	70	10	CJIE	
c1ccc(-c2ccccc2N[C@H]2C[C@H]3CC[C@H]2C3)cc1	218056946	PMHQKEKAOVRMEP-QOKNQOGYSA-N	263.384	4.954	70	10	CJIE	
C=C(CCN(CCCC)C1CCCCC1)[B-](F)(F)F	2076583150	AGSRGGBZVQMGMO-UHFFFAOYSA-N	276.175	4.754	70	10	CJIE	
C=CCCCCCCCN1CCC[C@@H]([B-](F)(F)F)C1	2220091169	FPLAGFMKKMEKTB-CQSZACIVSA-N	276.175	4.826	70	10	CJIE	
CC(C)=C(CN1CCC[C@@H](C2CCCC2)C1)[B-](F)(F)F	2340148866	AGNLVXDNCHTBTQ-CQSZACIVSA-N	288.186	4.612	70	10	CJIE	
CC[C@@H](Nc1ccc(F)c(OC)c1)c1ccc(C)cc1	160095757	QOJZDCRYIXWANO-MRXNPFEDSA-N	273.351	4.706	70	10	CJIE	
CCCCOCCCN[C@H](CCCC)c1ccc(F)cc1	160230497	LOHZJKGZMGOWPZ-GOSISDBHSA-N	295.442	4.853	70	10	CJIE	
CCN[C@H](c1ccc(C)o1)c1cc2ccc(F)cc2s1	161148814	BYIIYHHFWBJISA-MRXNPFEDSA-N	289.375	4.641	70	10	CJIE	
Cc1ccc(C)c(C[C@@H](N)c2cc3ccc(F)cc3s2)c1	161178441	OTVJCAQXBIVMDL-MRXNPFEDSA-N	299.414	4.900	70	10	CJIE	
CCN[C@@H](c1ccc(C(C)C)cc1)[C@H]1CCCCS1	161318716	SBRZZQDNNLMRPQ-SJORKVTESA-N	277.477	4.746	70	10	CJIE	
CCO[C@@H](C(=O)c1ccc(C(C)C)cc1)C1CCCCC1	161489023	JXZXBDDNJZVMED-LJQANCHMSA-N	288.431	4.978	70	10	CJIE	
CCc1ccc([C@H](N)[C@H](c2ccccc2)[C@H](C)CC)o1	217900779	TZLLCWHJIJYJPJ-BVGQSLNGSA-N	271.404	4.672	70	10	CJIE	
CC[C@@H](N)[C@H](O[C@@H]1CCC[C@@H](C)C1)c1ccccc1Cl	218273261	YRBUXZRYJIVPLQ-BQGCOEIASA-N	295.854	4.714	70	10	CJIE	
CCN[C@H](c1cc(F)ccc1Cl)[C@H]1CCC[C@@H](C)C1	218494732	VJJIPRSKPPSSRN-WQGACYEGSA-N	283.818	4.956	70	10	CJIE	
CCC[C@H]1CC[C@@H](CN)[C@@H](C[C@@H]2C[C@@H]3CC[C@@H]2C3)C1	218761112	ZYSRDHRPGOJGAM-SSDAWUQTSA-N	263.469	4.604	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](CN)[C@@H](Cc2ccc(Cl)s2)C1	218777426	WUVWTWYZFBTRDR-RWMBFGLXSA-N	285.884	4.591	70	10	CJIE	
C=C(CCOc1ccc([C@H](C)CC)cc1)[B-](F)(F)F	2044979050	DCWRIPHFBCVDNM-LLVKDONJSA-N	271.111	4.912	70	10	CJIE	
CC(C)=C(CN(C)[C@H]1CCCC(C)(C)C1)[B-](F)(F)F	2317987570	ZJSGUJZROILEJG-LBPRGKRZSA-N	276.175	4.610	70	10	CJIE	
Cc1cccc(-c2c(N)noc2-c2cccc(C)c2Cl)c1	160494820	VURWEMJQNHVEOI-UHFFFAOYSA-N	298.773	4.861	70	10	CJIE	
Cc1ccc(C)c([C@@H](C)Nc2cccc(N(C)C)c2)c1	161131120	JJAGGLRKBVEONI-OAHLLOKOSA-N	268.404	4.543	70	10	CJIE	
CCO[C@]1(C(=O)CCCc2ccccc2)CCC[C@@H](C)C1	161137451	VUFSWHZGJVDCMZ-VQIMIIECSA-N	288.431	4.564	70	10	CJIE	
CCc1ccc(C[C@H](NC)c2cc(Cl)ccc2C)s1	161170731	LURGKRLQTIUJGH-INIZCTEOSA-N	293.863	4.776	70	10	CJIE	
C[C@@H]1CCC[C@@H]([C@@H](N)Cc2cccc3ccccc23)C1	217959253	WVROOUUJIIBDDW-BJZITVGISA-N	267.416	4.536	70	10	CJIE	
Brc1cccc2c(C3CC3)csc12	218104789	OETNSLFDEMPBAT-UHFFFAOYSA-N	253.164	4.541	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@H](O)[C@@H](CCCc2ccccc2)C1	218304757	DAJCABRCKQJQLG-BZSNNMDCSA-N	274.448	4.833	70	10	CJIE	
CN[C@@H]1CCCCCCCCCC[C@H]1N(C)CCC(C)C	218668677	VVHFVKNIZWOXQO-RTBURBONSA-N	296.543	4.836	70	10	CJIE	
Cc1ccc(O[C@H]2CCC3(CCCC3)C2)c([B-](F)(F)F)c1	2155209704	JDXXXVZMMJASFB-ZDUSSCGKSA-N	297.149	4.541	70	10	CJIE	
CCCNC[C@@H](Cc1ccc2c(c1)CCC2)C1CCCC1	159946100	RZZVCXXPOLITIP-HXUWFJFHSA-N	285.475	4.524	70	10	CJIE	
Cc1cc([C@H](O)c2cccc(C3CCC3)c2)sc1C	160173237	BIQHWTULBWCTPY-QGZVFWFLSA-N	272.413	4.714	70	10	CJIE	
Fc1cc(Cl)ccc1CNc1cccc2ncccc12	160639821	IWXLXYZRQWEJNH-UHFFFAOYSA-N	286.737	4.639	70	10	CJIE	
CC[C@H](Nc1ccc(C)c(N(C)C)c1)c1ccc(F)cc1	161155159	MQRDMWMQJGQOGU-KRWDZBQOSA-N	286.394	4.763	70	10	CJIE	
CC(C)NCc1oc2cc3c(cc2c1C1CC1)CCCC3	161450580	NVEBWNOALAPRAX-UHFFFAOYSA-N	283.415	4.687	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc([C@@H](O)CC3CC3)ccc21	161497193	SXUNGFYATGTYGE-KRWDZBQOSA-N	272.432	4.869	70	10	CJIE	
CCN[C@@H]1CC[C@H](CC)C[C@@H]1Cc1cc(C)ccc1C	217663360	PJMNSCZRRYBJIN-QXAKKESOSA-N	273.464	4.650	70	10	CJIE	
CC(C)[C@@H](NCc1cccc2cc[nH]c12)c1cccs1	218079991	OBEORHRSMNZPAW-MRXNPFEDSA-N	284.428	4.716	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(CO)Nc1ccccc1Cl	218115124	HILSVQPTLBUBGD-KEYYUXOJSA-N	295.854	4.575	70	10	CJIE	
Cc1ccc(OC[C@@H](C)N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1	218124553	ZGRBOJXORGDJEG-BRWVUGGUSA-N	289.463	4.567	70	10	CJIE	
CCc1ccc(CN[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)s1	218141262	UMGNTHXPKYEEJB-XGWLTEMNSA-N	277.477	4.615	70	10	CJIE	
CCC1(CC)CCCN(CC(=C(C)C)[B-](F)(F)F)C1	2317863005	GDYRDPHAJYCXNK-UHFFFAOYSA-N	276.175	4.612	70	10	CJIE	
C[C@@]1([B-](F)(F)F)CCN(Cc2ccc3sccc3c2)C1	2342556919	IHBLJQGYCOMSFD-CQSZACIVSA-N	298.162	4.715	70	10	CJIE	
CCCc1cccc([C@H](O)c2cc(Cl)ccc2C)c1	159833135	DULCOKGDFCFOEL-KRWDZBQOSA-N	274.791	4.683	70	10	CJIE	
CC(C)CNC[C@@H](CCOc1ccccc1)C1CCCC1	160012782	XGIKBWVEQJLUKO-GOSISDBHSA-N	289.463	4.508	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)[C@H]1C[C@H]2CC[C@@H]1C2	160817983	NUHAMQKFVQMSSJ-LXZKKBNFSA-N	264.368	4.767	70	10	CJIE	
CCN[C@@H](Cc1ccc(C(C)(C)C)cc1)C(C)(C)CC	161269301	YLFNXWIECIADHT-KRWDZBQOSA-N	275.480	4.941	70	10	CJIE	
Clc1ccc(Cl)c2c(C3CC3)c(CNC3CC3)oc12	161334360	UCTIRXOWUDTMPL-UHFFFAOYSA-N	296.197	4.869	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)Cc1ccccc1F	161383681	KWTGLHFXHOKJGX-QGZVFWFLSA-N	275.411	4.627	70	10	CJIE	
CC[C@H]1CC[C@@H](NC)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	217658242	IDSQDYXBWZAWDU-KVSKMBFKSA-N	287.491	4.941	70	10	CJIE	
COc1ccc([C@@H](NC[C@@H]2CCCC[C@@H]2C)C2CC2)cc1	218155579	GBBLCGJHCHJYAK-FNHZYXHNSA-N	287.447	4.562	70	10	CJIE	
CN[C@@H]1CCCCCCCCCC[C@@H]1N(C)[C@@H](C)C1CC1	218637453	RJKFCGSOBJNXLY-UHOSZYNNSA-N	294.527	4.588	70	10	CJIE	
CCN[C@@H]1CC[C@@H](CC)C[C@@H]1Oc1ccccc1C(C)C	218777165	MBGCRYQWSDDLHP-SUMDDJOVSA-N	289.463	4.746	70	10	CJIE	
CCNc1cc(Sc2ccc(C(C)(C)C)cc2)ccn1	159396954	IPXCNQYTPPVJMC-UHFFFAOYSA-N	286.444	4.962	70	10	CJIE	
CCCNCc1sc([C@H]2CC[C@H](C)C2)nc1CC(C)C	159799818	IPEDMBPNMVUICN-KBPBESRZSA-N	294.508	4.745	70	10	CJIE	
COc1cc(N[C@@H]2CCc3sc(Cl)cc32)ccc1F	159913128	WRLZQTMDRUXAIJ-LLVKDONJSA-N	297.782	4.649	70	10	CJIE	
FC(F)c1cccc([C@H]2CCNC[C@H]2C2CCCC2)c1	160104779	FEUBDNWGKZEHOS-CVEARBPZSA-N	279.374	4.508	70	10	CJIE	
CCCCOCCCN[C@H](CC(C)C)c1ccccc1	160229654	IADSNBDJEZQPEH-GOSISDBHSA-N	277.452	4.570	70	10	CJIE	
Cc1cccc(C(=O)Cc2ccc3ccccc3n2)c1Cl	160368903	YMOQDSZZQQETBA-UHFFFAOYSA-N	295.769	4.622	70	10	CJIE	
CCOC(CC)(CC)C(=O)Cc1ccc(C(C)C)cc1	160666594	KVZNPGGCVFGNOJ-UHFFFAOYSA-N	276.420	4.517	70	10	CJIE	
Cc1ccccc1[C@H](C)Nc1ccc(C)c(N(C)C)c1	161155547	JIELNWRBYMLQEQ-HNNXBMFYSA-N	268.404	4.543	70	10	CJIE	
CC[C@@H](C)c1ccc(OCCOc2ccccc2)cc1	217399127	KCWBUWGUOPUECU-OAHLLOKOSA-N	270.372	4.658	70	10	CJIE	
CCCCCN(C(C)C)[C@H](C(C)C)[C@@H](O)c1ccccc1	218530377	NGBLNBGGCYBUNT-MOPGFXCFSA-N	291.479	4.645	70	10	CJIE	
CCc1cc(Br)c([C@H]2C[C@@H]2[B-](F)(F)F)s1	1885275789	XQPWAUTZFPZPHD-BQBZGAKWSA-N	297.956	4.778	70	10	CJIE	
C=C(CCN(C)[C@@H]1CC(C)(C)CCC1(C)C)[B-](F)(F)F	2274546211	AAJLIEWKBOJDER-CYBMUJFWSA-N	290.202	4.856	70	10	CJIE	
CC(C)=C(CSc1ccc(F)cc1F)[B-](F)(F)F	2301867350	QHFVLZUVSMSUES-UHFFFAOYSA-N	281.078	4.780	70	10	CJIE	
C[C@@]1([B-](F)(F)F)CCN(C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2342492465	HATIJANDYWOMRE-ZQDZILKHSA-N	288.186	4.516	70	10	CJIE	
CCCN[C@@H]1CCCCC[C@@H]1[C@@H]1C[C@@H]1c1ccccc1	159503643	AYQGIWIHASZTEQ-AKHDSKFASA-N	271.448	4.739	70	10	CJIE	
Cc1cc([C@H](O)c2cccc(CC(C)C)c2)sc1C	159845738	XGZAMIHGIHGGCY-QGZVFWFLSA-N	274.429	4.645	70	10	CJIE	
CCN(c1ccccc1C)C(CN)(CC(C)C)CC(C)C	161060009	FDGGUVBYRNEMJB-UHFFFAOYSA-N	290.495	4.611	70	10	CJIE	
COC1(C(=O)c2cccc(CC(C)C)c2)CCCCCC1	161301957	LJNXGIRQBIEMMU-UHFFFAOYSA-N	288.431	4.807	70	10	CJIE	
N[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1Cc1ccccc1Cl	217767166	NMJGRDHSMPMNDP-SZVBFZGTSA-N	299.845	4.794	70	10	CJIE	
C[C@H]1CCCC[C@H]1CN[C@H](c1ccc(F)cc1)C1CC1	218152883	SXZJHAZJVXJCAQ-OWQGQXMQSA-N	275.411	4.693	70	10	CJIE	
C[C@H]1CCC[C@@H]1N[C@H](C)CC(C)(C)c1ccccc1	218208778	NRJOMYZUJSMGHB-UXLLHSPISA-N	259.437	4.521	70	10	CJIE	
C[C@](F)(c1ccc(-c2ccccc2)cc1)[C@H]1CCCNC1	159447700	GAGDCSNCDINIQR-OALUTQOASA-N	283.390	4.538	70	10	CJIE	
CCCc1cccc([C@H](O)[C@@H](CC)c2ccccc2)c1	159815825	SUSQRLLYZGDKTP-OALUTQOASA-N	268.400	4.866	70	10	CJIE	
CC[C@H]1CCC[C@@H](N[C@H](C)c2ccc(F)cc2)CC1	159839005	IXACZOQCWDESOF-JKIFEVAISA-N	263.400	4.835	70	10	CJIE	
C[C@H]1CC[C@H](N[C@H](C)c2ccc(Cl)cc2)C[C@@H]1C	159950041	JBJMSFFRLMBQHN-JFILPPLUSA-N	265.828	4.815	70	10	CJIE	
CCN[C@@H](Cc1ccc(Cl)s1)c1ccc(C)cc1F	160915827	GTTGXEQNNUFJEY-AWEZNQCLSA-N	297.826	4.742	70	10	CJIE	
CCOC1(C(=O)[C@H]2CCC[C@@H](CC)C2)CCC(C)CC1	161001383	USTGZKVFAHDKDL-NDUQDZPOSA-N	280.452	4.757	70	10	CJIE	
CCc1ccc(C(=O)c2cc3ccc(F)cc3s2)cc1	161125319	WJGXUFQHZNNTIP-UHFFFAOYSA-N	284.355	4.834	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)Cc1ccc(F)c(F)c1	161385816	LRLNFEPDZUUOHT-MRXNPFEDSA-N	293.401	4.766	70	10	CJIE	
CCCCN(CCC)C(=O)Nc1cccc2ccccc12	217301124	DHAINRDLAFNZLN-UHFFFAOYSA-N	284.403	4.884	70	10	CJIE	
CCCCCC[C@H](C)O[C@H](c1ccc(C)o1)[C@@H](N)CC	218258498	CCTFAWRARSZFBD-QRTARXTBSA-N	281.440	4.742	70	10	CJIE	
CCCN[C@@H]1CC[C@@H](CCC)C[C@@H]1N1CCCC[C@@H]1CC	218620119	VQFDINWJCFWKQR-HCXYKTFWSA-N	294.527	4.588	70	10	CJIE	
CCC[C@H]1CC[C@H](CN)[C@@H](Cc2c(F)cccc2Cl)C1	218742187	ISMNNZRXVZLIIQ-BFHYXJOUSA-N	297.845	4.813	70	10	CJIE	
CC(C)=C(CN1CC[C@@H]2CCCCC[C@H]2C1)[B-](F)(F)F	2340327421	CLOGBBZRFICTCN-KBPBESRZSA-N	288.186	4.612	70	10	CJIE	
CCNc1cc(Oc2ccc(C(C)(C)CC)cc2)ccn1	159372147	YXTXAAYINZGAPG-UHFFFAOYSA-N	284.403	4.993	70	10	CJIE	
COc1cc(N[C@@H]2CCCC(C)(C)CC2)ccc1F	159971931	CKZYZSZYRWBRDL-GFCCVEGCSA-N	265.372	4.605	70	10	CJIE	
CCCC[C@@](CC)(CNCCC)C[C@H]1CCC(C)(C)O1	160905573	XWCJIDNSMLWPRE-SJLPKXTDSA-N	283.500	4.920	70	10	CJIE	
CCC[B-]1(CCC)N=C(C)N=C2Sc3ccccc3N21	169795537	YXROFGDRYUQHOI-UHFFFAOYSA-N	286.233	4.649	70	10	CJIE	
C[C@@H]1CCc2nc(C3CCC(C(C)(C)C)CC3)[nH]c2C1	216968898	SCKKEKXIFYYJMC-IYXRBSQSSA-N	274.452	4.854	70	10	CJIE	
CCCc1nc(Cl)c(C)c(O[C@H]2CC[C@@H](C)[C@@H](C)C2)n1	217542937	NKALKPNIKITODW-MDZLAQPJSA-N	296.842	4.594	70	10	CJIE	
Cc1ccc(C(=O)CO[C@H]2C[C@H](C)CC[C@H]2C(C)C)cc1	218400585	HWXATLQHHOUJRH-AYBZRNKSSA-N	288.431	4.655	70	10	CJIE	
C[C@H]1CCC[C@@H](O[C@@]2(CNC(C)(C)C)CCC[C@@H](C)C2)C1	218762402	OUFTWIURIYYFMU-FAJBIJEISA-N	295.511	4.919	70	10	CJIE	
O[C@H](c1cc2cc(Cl)ccc2o1)C1[C@H]2CCCC[C@H]12	159382849	FIOHXEOKMZJBID-MQIPJXDCSA-N	276.763	4.556	70	10	CJIE	
CCc1ccsc1[C@H](O)c1cccc(CC(C)C)c1	159859950	FBFZGFDQQMQZKV-MRXNPFEDSA-N	274.429	4.591	70	10	CJIE	
C[C@@H](Cc1cccc(Cl)c1)NCc1coc2ccccc12	161076339	VYZLOQFFGYOBFB-ZDUSSCGKSA-N	299.801	4.807	70	10	CJIE	
CCN[C@H](Cc1ccc(C(C)(C)C)cc1)C(C)(C)CC	161269167	YLFNXWIECIADHT-QGZVFWFLSA-N	275.480	4.941	70	10	CJIE	
C[C@@H](O)c1ccc(Sc2ccc(C(C)(C)C)cc2)cn1	161402509	VWGWIJIRSJMDEC-GFCCVEGCSA-N	287.428	4.584	70	10	CJIE	
Cc1cc(C)c(NC(=O)N/C=C/c2ccccc2F)c(C)c1	217758982	ZMEUVXNFDCUDBF-CMDGGOBGSA-N	298.361	4.543	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1Cc1cccc(C)c1	217763186	ZIJCAINIYWXVDH-OKZBNKHCSA-N	273.464	4.588	70	10	CJIE	
CCCN[C@H]1CCCCCC[C@H]1N(C)[C@@H]1CCC[C@@H](C)C1	218681545	DIRIJBZVKCHVPD-AKHDSKFASA-N	294.527	4.588	70	10	CJIE	
CC(C)C1CCC([C@@H](N)c2c(Cl)cnn2C(C)C)CC1	160510557	WIGHJRYDLWIPDH-SSDMNJCBSA-N	297.874	4.580	70	10	CJIE	
CCCC[C@@H](CC)[C@@H](Cc1ccc(F)cc1Cl)NC	160563754	WXCDKGOKJLZBCL-MLGOLLRUSA-N	285.834	4.826	70	10	CJIE	
CC1CCC(CCNCc2coc3ccccc23)CC1	161104251	RCDYDPBCODCHLI-UHFFFAOYSA-N	271.404	4.739	70	10	CJIE	
Cc1ccc(N[C@H](c2cccs2)C(C)C)cc1N(C)C	161195731	GOKZBGBYNFDMNR-KRWDZBQOSA-N	288.460	4.932	70	10	CJIE	
CCCNCc1oc2c(C)ccc(C)c2c1CC(C)C	161231281	VVWFNNNYTGCGDS-UHFFFAOYSA-N	273.420	4.748	70	10	CJIE	
CCCN[C@H](Cc1ccc(Cl)cc1)[C@@H]1CCCCS1	161417677	RZKUJKQKYSNBNY-CVEARBPZSA-N	297.895	4.536	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NC)[C@@H](Cc2ccc(C)c(C)c2)C1	217704188	AFASFJLPKLKGHJ-BHIYHBOVSA-N	273.464	4.650	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](N)[C@@H](Cc2ccc(C(F)(F)F)cc2)C1	217775666	UVVHIRXHWDIFPD-YCPHGPKFSA-N	299.380	4.648	70	10	CJIE	
CCN[C@@H](c1cc(F)ccc1C)[C@@H]1CCC[C@@H](C)C1	217980142	RVQVFCRWVWKWPL-SUYBPPKGSA-N	263.400	4.611	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@@H](O)[C@@H](Cc2ccc(Cl)s2)C1	218305329	IHQQGRDCCIJRSJ-NTZNESFSSA-N	286.868	4.767	70	10	CJIE	
Cc1cc(C)c(C[C@H]2C[C@H](C(C)C)CC[C@H]2O)c(C)c1	218320931	CGLNKWIPLAVRSS-ZHALLVOQSA-N	274.448	4.588	70	10	CJIE	
CC(C)=CNC(=O)NC1CCCCCCCCCCC1	218382980	HYIVPGFYUDMOAQ-UHFFFAOYSA-N	280.456	4.883	70	10	CJIE	
Cc1cc(O[C@H](C)CCC(C)C)c(C)c([B-](F)(F)F)c1	2090306023	PWFLUQCXQAFZCW-GFCCVEGCSA-N	287.154	4.561	70	10	CJIE	
COc1cc(NC2CC(c3cccc(C)c3)C2)ccc1F	159963079	GUVDHKGYSNSDFZ-UHFFFAOYSA-N	285.362	4.501	70	10	CJIE	
CCSCC[C@H](C)N[C@@H](C)c1c(C)cc(C)cc1C	159976743	GFOOFLPPBQZVCM-HOTGVXAUSA-N	279.493	4.794	70	10	CJIE	
COC1(c2nc(C)c(C(C)C)c(Cl)n2)CCC(C)CC1	160408223	KUCHKKKLRWZUNB-UHFFFAOYSA-N	296.842	4.614	70	10	CJIE	
CCSCC[C@H](C)n1c(C)cc2c1CC(C)(C)C[C@@H]2O	160720781	CGNNNCDTKOKBGH-LRDDRELGSA-N	295.492	4.507	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](Nc1ccc3c(c1)CCC3)CC2	160758083	HODAWBMHYJSVEY-IBGZPJMESA-N	263.384	4.583	70	10	CJIE	
CCN[C@@H](CCCc1ccccc1)CC1=CCCCC1	161342376	YUYGZGWUBFEMOG-IBGZPJMESA-N	271.448	4.878	70	10	CJIE	
CCCN[C@H](c1cccc(C)c1)[C@@H]1CCC[C@@H](C)C1	218029605	SUEJXVIXTBAQKB-KBAYOESNSA-N	259.437	4.862	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1	1882184249	JBMLKPBOGQWIOH-CVEARBPZSA-N	291.101	4.971	70	10	CJIE	
CC(C)=C(CSc1cc(C)cc(C)n1)[B-](F)(F)F	2301864493	OHGYELQXXUEFBQ-UHFFFAOYSA-N	274.140	4.514	70	10	CJIE	
Cc1ccc([C@H](O)c2c(C)ccc3ccccc23)cc1F	161009704	XZJJDDLXODLWJU-IBGZPJMESA-N	280.342	4.677	70	10	CJIE	
CC(C)(C)c1c(CN)oc2c(-c3ccccc3)cccc12	161156258	FUVNVEZEEQKTGJ-UHFFFAOYSA-N	279.383	4.856	70	10	CJIE	
CCOC1(C(=O)c2ccc(C)cc2)CCC(C)(C)CC1	161263303	DBWKVNJBCHBRPA-UHFFFAOYSA-N	274.404	4.553	70	10	CJIE	
CNCc1oc2c(C)cc(C(C)(C)C)cc2c1C(C)C	161410835	OFBVRBPKFIYKDE-UHFFFAOYSA-N	273.420	4.882	70	10	CJIE	
C1=C[C@@H]2[C@@H](C1)C[C@H]2Nc1ccccc1-c1ccccc1	217804702	HSMIIEKTIJQAOW-KVSKMBFKSA-N	261.368	4.730	70	10	CJIE	
CC[C@H]1CCCC[C@H]1O[C@H](c1ccccc1Cl)[C@@H](C)N	218245335	UFRFBIKRWHRUJL-GFOFROLCSA-N	295.854	4.714	70	10	CJIE	
CCCCCC[C@@H](C)O[C@H](c1cccc(F)c1)[C@@H](N)CC	218256892	IOAHMEFWPIXXBH-FHLIZLRMSA-N	295.442	4.980	70	10	CJIE	
CCC[C@H]1CC[C@@H](O)[C@@H](Cc2cccc3ccccc23)C1	218299370	PAFIDRHMUQMCNI-QKYXUNIQSA-N	282.427	4.960	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](O)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	218314283	BRAZGONUZXDARF-ZIFCJYIRSA-N	288.475	4.960	70	10	CJIE	
Cc1cccc([C@@H](CNC(C)C)O[C@@H]2CCC[C@@H](C)C2)c1	218760115	FQJBRMXZNHLXFM-BHIYHBOVSA-N	289.463	4.629	70	10	CJIE	
C=C(CCOc1ccc(Cl)c(Cl)c1)[B-](F)(F)F	1978066895	DPPXYTYKCBQVLK-UHFFFAOYSA-N	283.893	4.705	70	10	CJIE	
C=C(CCO[C@@H](CCC)c1ccccc1)[B-](F)(F)F	2318152941	LWWQKVKBDRMPSO-AWEZNQCLSA-N	271.111	4.877	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCN(C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1	2342456282	CIQRQNDJUWMSSF-CBBWQLFWSA-N	288.186	4.516	70	10	CJIE	
CC(C)(C)c1ccc([C@H](O)c2cccc3[nH]ccc23)cc1	159442715	BMCQXMUGRLLCME-SFHVURJKSA-N	279.383	4.547	70	10	CJIE	
CCN[C@@H](CSCc1cc(C)cc(C)c1)C1CCCC1	159457589	RRWMXUDIGUDNNF-SFHVURJKSA-N	291.504	4.705	70	10	CJIE	
COc1cc(N[C@@H](c2ccc(F)cc2)C2CC2)ccc1F	159896413	ATSBHZBEFRTYFK-QGZVFWFLSA-N	289.325	4.537	70	10	CJIE	
Cc1ccc([C@@H](C)N[C@@H]2CCC(C)(C)C[C@H]2C)cc1	159904577	SZGCHMPLGJQVOL-BFYDXBDKSA-N	259.437	4.860	70	10	CJIE	
CCNC[C@H](Cc1csc2ccccc12)C1CCCC1	159932232	NGYCQPXBDYVENU-HNNXBMFYSA-N	287.472	4.860	70	10	CJIE	
CCCN[C@H](CC)c1ccccc1N1CC[C@H](CCC)C1	160391130	RLDIXMYUADYUJQ-FUHWJXTLSA-N	288.479	4.764	70	10	CJIE	
CCOC(CC)(CC)C(=O)Cc1csc2ccccc12	160677734	FTVJGMSLOOSWKU-UHFFFAOYSA-N	290.428	4.608	70	10	CJIE	
CC(C)[C@@H]1CCC[C@@H](Nc2cccc(N(C)C)c2)CC1	161068486	PXAAKPSCXHGMDD-HZPDHXFCSA-N	274.452	4.769	70	10	CJIE	
CC(C)c1ccc(C[C@H](O)c2cc(F)cc(Cl)c2)cc1	161221073	YWWIWNGYQKWBNO-KRWDZBQOSA-N	292.781	4.879	70	10	CJIE	
CCOC1(C(=O)c2sccc2C)CCC(C)(C)CC1	161256798	KULJIACGTWMAHE-UHFFFAOYSA-N	280.433	4.615	70	10	CJIE	
C[C@H]1CCC[C@H](C)C1N[C@H](C)c1ccc(Cl)s1	217611318	MTAQYKUVKHAVFL-GARJFASQSA-N	271.857	4.877	70	10	CJIE	
CCCN[C@H](Cc1cc(F)ccc1F)[C@@H]1CCC[C@@H](C)C1	218013995	UKHQNGSZQSSYHQ-HBUWYVDXSA-N	295.417	4.702	70	10	CJIE	
C[C@@H](N[C@H]1CCCC[C@@H]1C(C)(C)C)[C@@H]1C[C@H]2C=C[C@H]1C2	218037374	GCLUOEUWURSBBQ-PXOUGSPUSA-N	275.480	4.782	70	10	CJIE	
Cc1nc([C@@H](C)N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c(C)s1	218069093	YUMVMQYWGSFDGN-GRHWWUNPSA-N	292.492	4.625	70	10	CJIE	
COc1ccc(N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1C	218143521	ZREDWAUSBHCXPK-QANKJYHBSA-N	273.420	4.630	70	10	CJIE	
CCCN[C@H]1CC[C@H](CCC)C[C@@H]1N(C)C1CCCCC1	218603744	OMDBEBFFRKLASL-WDSOQIARSA-N	294.527	4.588	70	10	CJIE	
CCN[C@@H]1CC[C@@H](C(C)(C)CC)C[C@@H]1N(CC)CC(C)C	218627550	QJZVSLMMWDHRET-KURKYZTESA-N	296.543	4.547	70	10	CJIE	
F[B-](F)(F)/C=C/c1ccc(Br)c(Cl)c1	306185592	HVPUNXKMQLWDNE-ONEGZZNKSA-N	284.291	4.502	70	10	CJIE	
C=C(CCN1CCC[C@H]1C1CCCCCC1)[B-](F)(F)F	1876715128	HCSPXZJVIMRIAF-HNNXBMFYSA-N	288.186	4.754	70	10	CJIE	
CCNc1cc(Oc2ccc(Cl)c3cccnc23)ccn1	159373750	TXNBTVQZOXJDAZ-UHFFFAOYSA-N	299.761	4.507	70	10	CJIE	
CCCCC[C@@H](NC)c1ccc(F)c(C(F)(F)F)c1	159593694	RVGCOPLDHLHCLX-CYBMUJFWSA-N	277.305	4.685	70	10	CJIE	
CCCCOCCCN[C@H]1CCC[C@H](CCC)CC1	160250883	NUKLOVCDSNTHRE-IRXDYDNUSA-N	269.473	4.532	70	10	CJIE	
C[C@@H]1CCC[C@H](CCNCc2cc(Cl)ccc2F)C1	160828810	MPJBIEMRKRKCNH-CHWSQXEVSA-N	283.818	4.785	70	10	CJIE	
CCCN[C@@H](c1ccc(CCC)cc1)[C@@H]1CCCS1	161140010	BHOXDANBGDGJCW-IRXDYDNUSA-N	277.477	4.575	70	10	CJIE	
CCN[C@@H](CCC1CCCC1)Cc1ccc(CC)s1	161165551	AKQQAHFQHKWXRN-HNNXBMFYSA-N	279.493	4.802	70	10	CJIE	
C1=C([C@@H](CNC2CC2)C2CCCCCC2)CCCC1	161459350	AGMCAMWPPDKHIE-SFHVURJKSA-N	261.453	4.825	70	10	CJIE	
CCC[C@H]1CC[C@@H](N)[C@@H](Cc2cccc(C(F)(F)F)c2)C1	217689827	LHXWHLKTCYUVOR-JGGQBBKZSA-N	299.380	4.792	70	10	CJIE	
C[C@H]1CCC[C@H]([C@@H](N)Cc2ccc(C(C)(C)C)cc2)C1	217950089	GOFPTDGAUSFTBT-ZVZYQTTQSA-N	273.464	4.680	70	10	CJIE	
COCc1ccccc1N[C@H]1C[C@H](C)CC[C@@H]1C(C)C	218023600	ZJFDTIPRBVMOAT-KYJSFNMBSA-N	275.436	4.706	70	10	CJIE	
CCN[C@@H]1CCCCC[C@H]1Oc1ccccc1[C@@H](C)CC	218777887	FEJYHNDINUDYPJ-KVSKMBFKSA-N	289.463	4.890	70	10	CJIE	
CCCC[C@H](CC)CN1CCC[C@H]([B-](F)(F)F)C1	2016103255	LOTKFPQDLMBGEH-STQMWFEESA-N	264.164	4.516	70	10	CJIE	
CCCC1CCC(CN2CC[C@@](C)([B-](F)(F)F)C2)CC1	2342525636	CFYAEYZDVIEGGR-YMAMQOFZSA-N	290.202	4.906	70	10	CJIE	
CCCN[C@H](CSCc1ccccc1C)C1CCCC1	159377211	OTABWZUHIOEPGV-GOSISDBHSA-N	291.504	4.787	70	10	CJIE	
CC(C)Cc1cccc([C@H](O)C[C@@H](C)C(C)(C)C)c1	159864578	ZARPTINQCYYVHO-RHSMWYFYSA-N	262.437	4.991	70	10	CJIE	
CCOC1(c2nc(Cl)cc(C3CC3)n2)CCCCCC1	160415379	QLBDQXPPWIDNDX-UHFFFAOYSA-N	294.826	4.593	70	10	CJIE	
Cc1ccc([C@H]2Oc3c(Cl)cccc3N[C@H]2C)cc1	160528881	AJDRMXNAUWYIHI-NHYWBVRUSA-N	273.763	4.583	70	10	CJIE	
COc1ccc(Cl)cc1N[C@@H]1CCc2ccc(C)cc21	160758222	YHRJNHKGUJXIKS-OAHLLOKOSA-N	287.790	4.756	70	10	CJIE	
CN[C@@H](c1c(C)ccc2ccccc12)C1(C)CCCC1	160902950	CAMPWZMCSXLKNS-SFHVURJKSA-N	267.416	4.989	70	10	CJIE	
Cc1cccc(C2CC(N[C@H]3CCC[C@H](C)[C@H]3C)C2)c1	218065857	VIDSICUSDLBBEX-YHGYTCJYSA-N	271.448	4.655	70	10	CJIE	
CCOc1cc(C)ccc1N[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218103929	QXYUSKROJWTIIY-UJHHCITNSA-N	285.431	4.630	70	10	CJIE	
C[C@H]1C[C@@H]1CCCCCN1CCC([B-](F)(F)F)CC1	2257294846	YMGSDXYBFIMVJS-STQMWFEESA-N	276.175	4.516	70	10	CJIE	
CC(C)Cc1cccc([C@H](N)CC2=CCCCC2)c1	161192426	YCBQNDNYQMVGTM-GOSISDBHSA-N	257.421	4.775	70	10	CJIE	
COC1(C(=O)c2ccc(C(C)(C)C)cc2)CCCCCC1	161315100	RZEOAUUPDYXFEJ-UHFFFAOYSA-N	288.431	4.906	70	10	CJIE	
Cc1c(Cl)nc(C(C)C)nc1O[C@H]1CC[C@H](C)[C@@H](C)C1	217542146	MIUYQIBRVYLDHV-GVXVVHGQSA-N	296.842	4.765	70	10	CJIE	
CCCN[C@H](Cc1cccc(F)c1F)[C@H]1CCC[C@@H](C)C1	218021736	HKGRBSXXGGTWBD-JKIFEVAISA-N	295.417	4.702	70	10	CJIE	
CC(C)=C(CN(C)Cc1sc(C)cc1C)[B-](F)(F)F	2317847850	CZCBAOMRWBMPES-UHFFFAOYSA-N	290.183	4.520	70	10	CJIE	
c1ccc(SCC[C@H](CNC2CC2)C2CCCC2)cc1	159988470	ZIGGKYUOIRTHAZ-MRXNPFEDSA-N	289.488	4.727	70	10	CJIE	
CCc1ccc(C[C@H](CNCC(C)C)C2CCCC2)s1	160021871	OMCKVSDOMNCXGU-MRXNPFEDSA-N	293.520	4.905	70	10	CJIE	
CCSCC[C@@H](C)Nc1ccccc1C(F)(F)F	160340133	ISDRIQZZYUDGLS-SNVBAGLBSA-N	277.355	4.649	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)c1cc(F)cc(F)c1	161417220	XBNCWAQISRHIHY-QGZVFWFLSA-N	279.374	4.896	70	10	CJIE	
CCCc1ccc2oc(CNCC)c(C(C)(C)C)c2c1	161455329	CVTQLUPLEBRFQH-UHFFFAOYSA-N	273.420	4.792	70	10	CJIE	
C[C@H](NCc1cccc2cc[nH]c12)c1cccc(Cl)c1	218064161	UDVSLCXDULVGPZ-LBPRGKRZSA-N	284.790	4.672	70	10	CJIE	
Cc1ccc(C)c(N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1	218079367	VWTAQYRUPLJEMS-QGPMSJSTSA-N	257.421	4.930	70	10	CJIE	
CC[C@@H]1CCCC[C@@H]1Oc1cc(C)cc([B-](F)(F)F)c1C	686557683	FSLUANZENGRSED-HIFRSBDPSA-N	299.165	4.705	70	10	CJIE	
CC(=C[B-](F)(F)F)c1ccc(Br)cc1Cl	1912936124	MGNAOOFELMOCHG-UHFFFAOYSA-N	298.318	4.892	70	10	CJIE	
CC1(C)CC[C@@H](CCN2CCC[C@@H]([B-](F)(F)F)C2)C1	2321634101	OQFIIJRXXNPPGC-QWHCGFSZSA-N	276.175	4.516	70	10	CJIE	
Cc1ccc(F)c([C@H](O)c2cccc(CC(C)C)c2)c1F	159865872	CLDIFTXDWMYYCU-GOSISDBHSA-N	290.353	4.553	70	10	CJIE	
CCSCC[C@@H](C)n1c(C)cc2c1CC(C)(C)C[C@H]2O	160720901	CGNNNCDTKOKBGH-MLGOLLRUSA-N	295.492	4.507	70	10	CJIE	
CCCOc1cccc([C@@H](CC2CCCCC2)NC)c1	161028348	AATHZEOPDGKELP-GOSISDBHSA-N	275.436	4.706	70	10	CJIE	
c1ccc(-c2ccc(CNCCCC3CC3)s2)cc1	161413267	ZTQZCBGMKRCIEB-UHFFFAOYSA-N	271.429	4.695	70	10	CJIE	
CC(C)CNCc1oc2cc(F)cc(F)c2c1CC(C)C	161463162	OOMYEBPZMXOFJA-UHFFFAOYSA-N	295.373	4.655	70	10	CJIE	
CCCN[C@H](c1ccccc1OCC)[C@H]1CCC[C@@H](C)C1	218007783	QDMOPNAZGYXSLV-GJYPPUQNSA-N	289.463	4.952	70	10	CJIE	
CCCN[C@@H](c1ccccc1F)[C@H]1CCC[C@@H](C)C1	218034177	VFSVEWJSUFLYLL-JKIFEVAISA-N	263.400	4.693	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@]1(CO)Nc1ccccc1Cl	218115364	HILSVQPTLBUBGD-VBQJREDUSA-N	295.854	4.575	70	10	CJIE	
C=C(CCSCc1ccccc1C)[B-](F)(F)F	1978060608	OZHFXIOBQAJEQM-UHFFFAOYSA-N	259.125	4.561	70	10	CJIE	
CCC(CC)N(CC(=C(C)C)[B-](F)(F)F)CC(C)C	2317855999	DVERZIBYEVXTTL-UHFFFAOYSA-N	278.191	4.856	70	10	CJIE	
N[C@@H](CC1=CCCCC1)c1ccc2ccccc2c1	161221993	OSXQRLUZCKHAPK-SFHVURJKSA-N	251.373	4.730	70	10	CJIE	
CN[C@@H](Cc1ccc(C(C)(C)C)cc1)c1ccc(C)s1	161258116	ZIPHAXXMOQJVKC-INIZCTEOSA-N	287.472	4.857	70	10	CJIE	
C[C@H]1C[C@@H]1c1ccc(CN[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)o1	217635268	MGWKGUXDLZCANY-PKKRGFRTSA-N	287.447	4.707	70	10	CJIE	
CCN[C@@H]1CC[C@H](C(C)(C)CC)C[C@@H]1N(C)CC(C)(C)C	218706770	DOJODGWIVHHCLJ-BBWFWOEESA-N	296.543	4.547	70	10	CJIE	
C[C@H]1C[C@H]1CCCCCN1CCC([B-](F)(F)F)CC1	2257294845	YMGSDXYBFIMVJS-QWHCGFSZSA-N	276.175	4.516	70	10	CJIE	
O[C@H](c1cc2c(s1)CCCC2)c1ccccc1C1CCC1	160012959	SELBYXVSZZSOKN-IBGZPJMESA-N	298.451	4.976	70	10	CJIE	
CCSCC[C@@H](C)Nc1nc2ccc(C)cc2s1	160423473	LWVRVXXGFXYZIO-LLVKDONJSA-N	280.462	4.548	70	10	CJIE	
CCCN[C@H](c1cncc(C)c1)C1CCC(CC)CC1	160985085	UIDXBMIHFFDONI-HTWSVDAQSA-N	274.452	4.647	70	10	CJIE	
CCC[C@@H]1CC[C@H](NC)[C@@H](CCCOc2ccccc2)C1	217699699	SBMACLFFSIRMDG-AOIWGVFYSA-N	289.463	4.650	70	10	CJIE	
CCCCC[C@@H](C)NCCS[C@@H]1CCC[C@@H](C)C1	217922899	KFHCIFHLQLCNHI-BZUAXINKSA-N	271.514	4.857	70	10	CJIE	
CN[C@@H](Cc1cccc2ccccc12)[C@H]1CCC[C@@H](C)C1	217975472	VJHPBYKNQRIDNV-BPAFIMBUSA-N	281.443	4.797	70	10	CJIE	
CCCCCC[C@@H](C)O[C@@H]([C@@H](N)CC)C(C)(C)C	218259691	OXWQPEYSBHJVTL-ILXRZTDVSA-N	257.462	4.514	70	10	CJIE	
CCCC[C@H](CC)CO[C@@H](c1ccccc1F)[C@@H](N)CC	218271938	MPVOFVBSZQDDSD-WBAXXEDZSA-N	295.442	4.837	70	10	CJIE	
CN[C@@H]1C[C@@H](C)CC[C@@H]1C(C)(C)Cc1cc(F)ccc1C	218330088	RFJXJEHMVVQDOE-DOPJRALCSA-N	291.454	4.727	70	10	CJIE	
CCCN[C@@H]1CCCCCC[C@H]1N(C)[C@@H]1CCC[C@@H](C)C1	218681475	DIRIJBZVKCHVPD-NCXUSEDFSA-N	294.527	4.588	70	10	CJIE	
CC[C@H]1CC[C@H](CN2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)CC1	1879766506	FRHKDTOPBZGMTH-KBUPBQIOSA-N	288.186	4.516	70	10	CJIE	
C=CCCCCCCCOCc1cccc([B-](F)(F)F)c1	2235533850	VWPXRDMGXLDJOY-UHFFFAOYSA-N	299.165	4.784	70	10	CJIE	
CCNC[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1c1ccccc1	159460065	GIKFOSCIBNRXCC-GUDVDZBRSA-N	299.845	4.837	70	10	CJIE	
CCOC1(C(=O)c2cc(F)ccc2F)CCC(C)(C)CC1	161252916	RZGMFPNCXXBRCV-UHFFFAOYSA-N	296.357	4.523	70	10	CJIE	
CC(C)Cc1c(CNC(C)C)oc2c(Cl)cc(F)cc12	161441222	VLCXGWWNQKULCC-UHFFFAOYSA-N	297.801	4.922	70	10	CJIE	
Cc1ccccc1C1CC(N[C@@H]2CCC[C@H](C)[C@H]2C)C1	218066067	XJFXJROTDJOXHA-FATCYHCVSA-N	271.448	4.655	70	10	CJIE	
CCC(CC)[C@H](N[C@H]1C[C@@H]2CC=C[C@H]21)c1ccccc1	218243518	CSSUXVLBYXKPOH-RDGPPVDQSA-N	269.432	4.718	70	10	CJIE	
CC(C)=C(CSC1CC2(CCC2)C1)[B-](F)(F)F	1901704021	WYIBBHYCDNOGDT-UHFFFAOYSA-N	263.157	4.775	70	10	CJIE	
CCC[C@H](CC)COCC(=C(C)C)[B-](F)(F)F	1905355445	XPRFOYFBYDPTGT-NSHDSACASA-N	251.121	4.552	70	10	CJIE	
CC(=C[B-](F)(F)F)c1cc(Cl)ccc1Cl	1912949795	CHJMWYJRXGWECQ-UHFFFAOYSA-N	253.867	4.783	70	10	CJIE	
CC(C)=C(COc1cc(Cl)ccc1C)[B-](F)(F)F	2301864528	OONWTOTYOQXRFQ-UHFFFAOYSA-N	277.502	4.750	70	10	CJIE	
CC(C)=C(CN(C)C1C[C@H]2CCCC[C@@H]2C1)[B-](F)(F)F	2340144969	XDIUVGPOPWDOTG-CHWSQXEVSA-N	288.186	4.610	70	10	CJIE	
CC(C)(C)c1ccccc1NC(=O)NCCC1=CCCC1	159958172	JEUVEHFTFZPGPH-UHFFFAOYSA-N	286.419	4.606	70	10	CJIE	
CC[C@H](c1ccccc1)[C@@H](O)Cc1ccc(Cl)cc1F	160387997	QXXLEIZQAIAQCW-WBVHZDCISA-N	292.781	4.576	70	10	CJIE	
C[C@H]1Cc2nc(C3CCCCCCC3)[nH]c2C[C@H]1C	216979144	AAAMPRCSLWOELR-BETUJISGSA-N	260.425	4.608	70	10	CJIE	
Cc1ccc(O)c(NC(=O)Nc2ccc(C(C)(C)C)cc2)c1	217301268	LTMKQTSLBLSADT-UHFFFAOYSA-N	298.386	4.642	70	10	CJIE	
C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)o1	217635346	MGWKGUXDLZCANY-WPDDVSAESA-N	287.447	4.707	70	10	CJIE	
O[C@H]1CC[C@H](c2ccccc2)C[C@@H]1CC1CCCC1	218309214	HOUQSTONICEYJN-BZSNNMDCSA-N	258.405	4.512	70	10	CJIE	
CCN[C@@H]1CCCCC[C@H]1O[C@@H]1C[C@@H](C)CC(C)(C)C1	218752226	XHRGQLQEIKKCGN-QBPKDAKJSA-N	281.484	4.529	70	10	CJIE	
CCNC[C@@H](O[C@H]1CCC[C@@H](C)C1)c1ccccc1Cl	218763593	OMELLQYSPNGCNT-JKIFEVAISA-N	295.854	4.586	70	10	CJIE	
C=C(COC1CC2(CCC(C)(C)CC2)C1)[B-](F)(F)F	2073144352	QLWNXIPEDZNLIA-UHFFFAOYSA-N	275.143	4.695	70	10	CJIE	
Cc1cccc([C@@H](C)N[C@H]2CCC(C)(C)C[C@H]2C)c1	160170477	VZNOIUQCVLTGIM-INMHGKMJSA-N	259.437	4.860	70	10	CJIE	
CCCNCCCCCc1c(C)ccc2ccccc12	161109226	RTQFWFCOTMANKB-UHFFFAOYSA-N	269.432	4.861	70	10	CJIE	
CCO[C@@]1(C(=O)CCCc2ccccc2)CCC[C@@H](C)C1	161137558	VUFSWHZGJVDCMZ-APWZRJJASA-N	288.431	4.564	70	10	CJIE	
Cc1ccc(N[C@H](C)c2ccccc2Cl)cc1N(C)C	161191990	PVWLXGJZCXETGB-CYBMUJFWSA-N	288.822	4.888	70	10	CJIE	
CC[C@H](C)c1ccccc1NC(=O)c1cccc(C)c1F	161396286	JEQJDTHYUISOCZ-LBPRGKRZSA-N	285.362	4.900	70	10	CJIE	
F[B-](F)(F)/C=C\c1ccccc1OCc1ccccc1	390784048	UCJWNUBNBCGLCW-KHPPLWFESA-N	277.074	4.665	70	10	CJIE	
CC(C)=C(COCCCCC(C)C)[B-](F)(F)F	1901649722	LWODHOFVDSCCLY-UHFFFAOYSA-N	251.121	4.552	70	10	CJIE	
CC(C)=C(COC1C[C@@H](C)C[C@H](C)C1)[B-](F)(F)F	2301963989	GWXAQQWVBSWGBJ-QWRGUYRKSA-N	263.132	4.551	70	10	CJIE	
CCOC1(c2nc(C)c(C(C)C)c(Cl)n2)CCCCC1	160409265	CAJVXAQFKKTIQT-UHFFFAOYSA-N	296.842	4.758	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](Nc1cccc3cnccc13)CC2	160778486	CAOUREGUTAAMFN-IBGZPJMESA-N	274.367	4.643	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](O)Cc1ccccc1F	161000920	QILQOOIIPIQRBR-GOSISDBHSA-N	280.342	4.563	70	10	CJIE	
C[C@H]1CCCC[C@H]1N[C@H](C)CC(C)(C)c1ccccc1	217861525	SMBQXSCUHLQGMH-LZLYRXPVSA-N	273.464	4.911	70	10	CJIE	
C[C@H]1CCCC[C@@H]1CN[C@H](c1ccccc1)C1CC1	218151098	HAOXHIDUSPKFCC-BMGDILEWSA-N	257.421	4.554	70	10	CJIE	
CCCCN([C@@H](C)CC)[C@@H](C)[C@@H](NC)c1ccc(C)cc1	218700046	WYNPNEKROHIICF-JENIJYKNSA-N	290.495	4.545	70	10	CJIE	
Cc1oc(C)c([C@H](O)c2cc3cc(Cl)ccc3o2)c1C	159363227	RPWOYAFYSAMQKO-MRXNPFEDSA-N	290.746	4.686	70	10	CJIE	
CC1CCC(c2nc(C3CC3)c(CNC(C)C)s2)CC1	159535192	CQWYWMQWEANGLW-UHFFFAOYSA-N	292.492	4.812	70	10	CJIE	
CCN[C@@H](CC)c1ccccc1N1CC[C@H](C(C)(C)C)C1	160325077	GNFCFNAKQPAGSP-RDJZCZTQSA-N	288.479	4.620	70	10	CJIE	
Cc1c(Cl)nc(C2CC2)nc1N[C@@H]1CC[C@@H](C)[C@@H](C)C1	217562014	JGRDRDWSYHHABO-GBIKHYSHSA-N	293.842	4.552	70	10	CJIE	
CCCN[C@@H]1CC[C@@H](CCC)C[C@@H]1Oc1ccccc1F	218769660	HVSMSNTVOKPYDC-KYJSFNMBSA-N	293.426	4.542	70	10	CJIE	
CC(C)(C)C1(CN2CC[C@H]3C[C@]3([B-](F)(F)F)C2)CCC1	1879766039	BSZIHSHGETYLCR-WFASDCNBSA-N	288.186	4.516	70	10	CJIE	
CCCC[C@@H](C)NCc1ccc(Cl)c2cccnc12	160322317	NEXSDZOBIJELEF-GFCCVEGCSA-N	276.811	4.557	70	10	CJIE	
CCc1cccc(C)c1N[C@H]1CCc2ccc(C)cc21	160807065	IHGOXCXYLJMKGX-SFHVURJKSA-N	265.400	4.965	70	10	CJIE	
Cc1cccc(C(=O)c2c(C)ccc3ccccc23)c1C	160813425	VLFXDVAFYMHHGN-UHFFFAOYSA-N	274.363	4.996	70	10	CJIE	
CCCC[C@@](CC)(CNC(C)C)C[C@@H]1CCC(C)(C)O1	160905838	TUSURJRATIAAFW-FUHWJXTLSA-N	283.500	4.919	70	10	CJIE	
CCOC1(C(=O)[C@@H]2CCCC[C@H]2CC)CCC(C)CC1	160974482	MUIDFRYVTSDKFL-GARNVTTQSA-N	280.452	4.757	70	10	CJIE	
Cc1ccc2c(CC(C)C)c(CNCC(C)C)oc2c1C	161256099	NZQYULHWQFJQJQ-UHFFFAOYSA-N	287.447	4.994	70	10	CJIE	
CCN[C@H]1CC[C@@H](CC)C[C@@H]1Cc1c(C)cc(C)cc1C	217661935	WFGPICQASJSQRP-GGPKGHCWSA-N	287.491	4.959	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1Cc1ccc(C)cc1	217762707	YZJMIUDLURKEOT-OKZBNKHCSA-N	273.464	4.588	70	10	CJIE	
CCC(C)(C)[C@@H]1CC[C@H](O)[C@H](O[C@@H]2CCC[C@@H](C)C2)C1	218560342	FGZKAGNMCRPWIY-OVYGPGRDSA-N	282.468	4.548	70	10	CJIE	
CCC1(CC)C[C@H](N[C@@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CCO1	218645575	VQDPFHBSAYNCIH-LHHMISFZSA-N	293.495	4.529	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](c2cc(C)cc(C)c2)C1	218732544	MGIPDYMRDSDNTM-RYRKJORJSA-N	259.437	4.562	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OCC1(C(C)C)CCC1	2197481014	LAVYIHFKUVGHLD-UHFFFAOYSA-N	299.165	4.509	70	10	CJIE	
CC(C)(C)CC1CC(CN2CC[C@@](C)([B-](F)(F)F)C2)C1	2342494065	VGMUEOQJBNNLND-SSDMNJCBSA-N	290.202	4.762	70	10	CJIE	
CCCNCC1([C@H]2C[C@H]2c2ccccc2)CCCCC1	159408998	YFBZXHBCJAXNFN-ROUUACIJSA-N	271.448	4.740	70	10	CJIE	
CN[C@@H](C)c1cc(F)c(C)cc1Oc1ccc(F)cc1C	160584188	IXIMDFXJCJNYGG-LBPRGKRZSA-N	291.341	4.654	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)c1ccc(N)cc1Cl	161106038	BDEUHHCCEXKPSM-UHFFFAOYSA-N	295.769	4.615	70	10	CJIE	
CC[C@H](C)c1ccccc1O[C@H](C)[C@@H](O)c1ccccc1	217017374	KMMCDMHXUUPGLX-QMTMVMCOSA-N	284.399	4.701	70	10	CJIE	
CCN[C@@H](Cc1cc(C)cc(C)c1)[C@@H]1CCC[C@@H](C)C1	217981685	LPMQFHGHMNUDDQ-ZMYBRWDISA-N	273.464	4.650	70	10	CJIE	
C[C@@H](CCNC[C@H]1CCCC[C@@H]1C)c1ccccc1	218150032	IOMNZZKSWLPBCR-XYJFISCASA-N	259.437	4.596	70	10	CJIE	
Fc1cc(/C=C\[B-](F)(F)F)c(Cl)cc1Cl	382630803	BBUIIACBGLHKNK-UPHRSURJSA-N	257.830	4.532	70	10	CJIE	
C[C@H](C[C@H](N)Cc1ccc(F)cc1Cl)CC(C)(C)C	160532340	AACOOUXDWXEDAK-RISCZKNCSA-N	285.834	4.811	70	10	CJIE	
C[C@@H](Nc1cccc(N(C)C)c1)c1ccc(F)cc1Cl	161093557	PVCNMWDNICEHHX-LLVKDONJSA-N	292.785	4.718	70	10	CJIE	
CCCN[C@H](c1cc(C)c(C)cc1C)[C@@H]1CCCS1	161116854	IDRQIVYGKGIHFK-DLBZAZTESA-N	277.477	4.548	70	10	CJIE	
Cc1ccc(N[C@H](C)c2cc(F)ccc2F)cc1N(C)C	161205534	IUSATIQXHUWJOX-GFCCVEGCSA-N	290.357	4.512	70	10	CJIE	
CCCc1c(CNCC)oc2ccc(C(C)(C)C)cc12	161365817	PGJGCVNPEVELJX-UHFFFAOYSA-N	273.420	4.792	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@@H](N)[C@@H](Cc2ccc(F)cc2Cl)C1	217748354	MCAYWLSSLBNYHX-HEHGZKQESA-N	297.845	4.811	70	10	CJIE	
CCCCN([C@H](C)CC)[C@@H]1CCCc2c(O)cccc21	217831615	OHDNRRFPOCVXGC-RHSMWYFYSA-N	275.436	4.670	70	10	CJIE	
C[C@@H](Cc1ccc(F)cc1)N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218203241	LXSPWFLPRINENK-VGDUNAEUSA-N	289.438	4.561	70	10	CJIE	
CCCC[C@H](CC)CO[C@H](c1ccc(F)cc1)[C@@H](N)CC	218269363	AXENBKVINKYCGL-JCGIZDLHSA-N	295.442	4.837	70	10	CJIE	
CCCN[C@H](C)c1sc([C@@H]2CCC[C@@H](C)C2)nc1C	218583155	IQLPOAJMJNIBJA-YRGRVCCFSA-N	280.481	4.806	70	10	CJIE	
F[B-](F)(F)/C=C/c1ccc(Cl)c(Br)c1	306806285	JFNMBCVSRXBGEX-ONEGZZNKSA-N	284.291	4.502	70	10	CJIE	
C=C(CCSCC12CCC(CC1)C2)[B-](F)(F)F	2245384738	HNTDGTHXCLHUOR-UHFFFAOYSA-N	263.157	4.633	70	10	CJIE	
CCCC[C@@H](CC)[C@H](O)c1cc2cc(F)ccc2o1	159400763	CSPOZDDIJYMLIB-BZNIZROVSA-N	264.340	4.822	70	10	CJIE	
CCCCC[C@H](NCC)c1ccc(OC(F)(F)F)cc1	159699808	MPAJEWHBBAHGGL-AWEZNQCLSA-N	289.341	4.816	70	10	CJIE	
CCSCC[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCCC2	160027756	RTXAQDPCAKAMNM-CABCVRRESA-N	291.504	4.748	70	10	CJIE	
O[C@H](c1cccc(C2CCC2)c1)c1cccc(F)c1Cl	160188708	VCYCOUSTVNYOPW-QGZVFWFLSA-N	290.765	4.828	70	10	CJIE	
Cc1ccc([C@H]2Oc3c(Cl)cccc3N[C@@H]2C)cc1	160529121	AJDRMXNAUWYIHI-ABAIWWIYSA-N	273.763	4.583	70	10	CJIE	
CCN[C@H](C)c1sc(-c2cc(F)cc(Cl)c2)nc1C	161271259	CJFLRDVINPWYQE-MRVPVSSYSA-N	298.814	4.582	70	10	CJIE	
CCCCCC[C@@H](N)Cc1ccc(C(C)(C)C)cc1	161274665	NNSAWWAPGYGBAW-QGZVFWFLSA-N	261.453	4.824	70	10	CJIE	
CNCc1oc2c(C(C)C)cccc2c1C(C)(C)C	161373251	AVRODLMGWSZTJR-UHFFFAOYSA-N	259.393	4.573	70	10	CJIE	
CCN[C@@H]1CC[C@H](CC)C[C@@H]1Cc1c(C)cc(C)cc1C	217662024	WFGPICQASJSQRP-NLWGTHIKSA-N	287.491	4.959	70	10	CJIE	
CC[C@H](N)[C@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccc(C)o1	218263154	JZEUCOHCFUYWCW-UTXMOHQDSA-N	293.451	4.598	70	10	CJIE	
Cc1ccc(C(=O)[C@@H](C)O[C@H]2C[C@@H](C)CC(C)(C)C2)cc1	218412690	PIUZLMYLGKSSNU-INMHGKMJSA-N	288.431	4.798	70	10	CJIE	
CCN[C@H]1CCCCCCCCCC[C@@H]1N1CC[C@@H](C)C1	218663770	PRAAGLVFKGXGFO-QYZOEREBSA-N	294.527	4.590	70	10	CJIE	
C=CCCCCCCCCN1CC[C@H]([B-](F)(F)F)C1	2319656530	UMIKCJGIUGATHO-AWEZNQCLSA-N	276.175	4.826	70	10	CJIE	
CCN[C@H](C)c1ccccc1Oc1ccc(F)cc1C	160585203	XXPPWIMABXORHM-CYBMUJFWSA-N	273.351	4.597	70	10	CJIE	
CCc1ccc([C@H](C)NCc2coc3ccccc23)cc1	161074180	DRHNGMQBNFBGAT-AWEZNQCLSA-N	279.383	4.846	70	10	CJIE	
Cc1ccc(C)c(C[C@H](N)c2cc3ccc(F)cc3s2)c1	161178321	OTVJCAQXBIVMDL-INIZCTEOSA-N	299.414	4.900	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1ccccc1OCC	161324472	OJLFIGMNWIPGFP-QGZVFWFLSA-N	273.420	4.626	70	10	CJIE	
C[C@@H](NCCCC1CC1)c1ccc(C(C)(C)C)cc1	161416707	DOYDZVOEYGINSF-CQSZACIVSA-N	259.437	4.825	70	10	CJIE	
Cc1ccc(CCC[Si](Cl)(Cl)Cl)s1	203946269	KEYINHUVQPCKQK-UHFFFAOYSA-N	273.688	4.644	70	10	CJIE	
C[C@@H]1CCc2nc([C@@H]3CC[C@@H]4CCCC[C@@H]4C3)[nH]c2C1	216839665	ONBZHMAFIFFPEJ-LXTVHRRPSA-N	272.436	4.608	70	10	CJIE	
Cc1cc(N[C@@H]2C[C@H](C)Sc3sccc32)ccc1O	217004831	FYISQJQAKBLVBC-GXFFZTMASA-N	291.441	4.800	70	10	CJIE	
Cc1c(Cl)nc(C(C)C)nc1O[C@H]1CC[C@@H](C)[C@@H](C)C1	217541990	MIUYQIBRVYLDHV-MDZLAQPJSA-N	296.842	4.765	70	10	CJIE	
CCCN[C@H]1CC[C@@H](CCC)C[C@@H]1Cc1cccc(F)c1	217729119	VBTUIWZRRJGUIR-SUMDDJOVSA-N	291.454	4.953	70	10	CJIE	
CC[C@H](N)[C@@H](O[C@@H]1CCCC[C@@H]1CC)c1ccc(C)cc1	218243708	GCHCOQUMUKFCIZ-KANFNMMFSA-N	289.463	4.759	70	10	CJIE	
C[C@@]1([B-](F)(F)F)CCN(Cc2csc3ccccc23)C1	2342521321	TYZGKZSMCLLVMX-CQSZACIVSA-N	298.162	4.715	70	10	CJIE	
CCCCC[C@H](NCC)[C@@H](OCC)C1CCCCC1	159916901	KLGBNJFFPUNXMY-IRXDYDNUSA-N	269.473	4.530	70	10	CJIE	
Cc1cccc([C@@H](O)Cc2ccc(Cl)cc2F)c1Cl	160410886	JIFKYUVTBYCISM-AWEZNQCLSA-N	299.172	4.717	70	10	CJIE	
Cc1cc(F)ccc1Oc1nc(Cl)nc2ccccc12	160569221	CSEZLKOMKYVZAQ-UHFFFAOYSA-N	288.709	4.523	70	10	CJIE	
Fc1cc(F)c(F)c(NCc2ccc(Cl)cc2F)c1	160816027	POQRNMLSPVGLCY-UHFFFAOYSA-N	289.659	4.509	70	10	CJIE	
CCOC1(C(=O)C2C[C@H](C)C[C@@H](C)C2)CCC(C)CC1	160980494	DNCPILNVXPIMMZ-NWPKHEMWSA-N	280.452	4.613	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NC)[C@@H](Cc2c(F)cccc2Cl)C1	217702877	NXMPBNOLQVPKCU-PBFPGSCMSA-N	297.845	4.826	70	10	CJIE	
C[C@@H]1C[C@H](N[C@H](c2ccccc2)C2CC2)CC(C)(C)C1	217733521	SDYXNZISEVTASG-FHLIZLRMSA-N	271.448	4.942	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCc1ccc(N)cc1Cl	218249813	HHSKFBIZMOCBFO-NUTKFTJISA-N	295.854	4.900	70	10	CJIE	
CCCC[C@H](CC)CO[C@H](c1cccc(F)c1)[C@@H](N)CC	218268367	ODPYGDDVLJMZNB-JCGIZDLHSA-N	295.442	4.837	70	10	CJIE	
CC(C)=C(CN(C)[C@@H]1CCCCC12CCC2)[B-](F)(F)F	2340313742	NSFWRHLCJMNCQP-CQSZACIVSA-N	288.186	4.754	70	10	CJIE	
CCCN[C@H](C1=CCCCO1)c1cc2ccccc2s1	160357820	QWTOYFSVKOOSEV-QGZVFWFLSA-N	287.428	4.636	70	10	CJIE	
Cc1cc([C@H](N)c2c(C)ccc3ccccc23)sc1C	160872964	IBEYZIPZWAVSCN-SFHVURJKSA-N	281.424	4.875	70	10	CJIE	
CCCN[C@H](c1ccoc1)c1c(C)ccc2ccccc12	160932917	BWJBSHSCZDMHRS-LJQANCHMSA-N	279.383	4.830	70	10	CJIE	
CCC[C@@H]1CCC[C@@H](Nc2cccc(N(C)C)c2)CC1	161127838	FKCPIZUBJSPWQW-HZPDHXFCSA-N	274.452	4.914	70	10	CJIE	
CCN[C@@H]1CC[C@H](CC)C[C@@H]1Cc1ccc(CC)s1	217673886	YMWKIKOQGMWBPK-JJRVBVJISA-N	279.493	4.657	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@H](N)[C@@H](Cc2c(F)cccc2Cl)C1	217743377	BZWHLMPTDMSMMS-HSMVNMDESA-N	297.845	4.811	70	10	CJIE	
N[C@H]1CC[C@H](c2ccccc2)C[C@@H]1Cc1ccc(Cl)cc1	217766435	FSUFSBKBPSPYCK-LNLFQRSKSA-N	299.845	4.794	70	10	CJIE	
Cc1ccc(C[C@]2(N)C[C@@H](C)CC[C@H]2C(C)C)cc1C	217882028	UNZMPFUUKKTAHW-ZOCIIQOWSA-N	273.464	4.636	70	10	CJIE	
Cc1ccc(OCC2C[C@@H](C)C[C@H](C)C2)c([B-](F)(F)F)c1	2149169299	GVQIDVGZIDZKSF-STQMWFEESA-N	299.165	4.501	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1O[C@@H]1CCC[C@@H](CC)C1	2197460482	AHDLAEZVMJOEBS-IUODEOHRSA-N	299.165	4.651	70	10	CJIE	
CCC(CC)(CC)COCC(=C(C)C)[B-](F)(F)F	2301954128	WXJPGRBHHNORAI-UHFFFAOYSA-N	265.148	4.942	70	10	CJIE	
Cc1cccc([C@H](N)c2ccc(CC(C)C)cc2)c1Cl	160279832	YZFQNJFILBUQQR-GOSISDBHSA-N	287.834	4.895	70	10	CJIE	
CCCCOCCCNc1nc2cccc(Cl)c2s1	160391445	LZJJEIBRHXBRMU-UHFFFAOYSA-N	298.839	4.568	70	10	CJIE	
CC(C)(C)NC[C@@H](C[C@H]1CCC(C)(C)O1)c1ccccc1	160924834	JAOAJAQFHUSHKH-IAGOWNOFSA-N	289.463	4.506	70	10	CJIE	
CC[C@H](c1ccccc1)[C@@H](CC1CCCCC1)NC	161022561	DIGDEIDRPAKCOR-QZTJIDSGSA-N	259.437	4.739	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1ccc(OCC)cc1	161348542	ZOXWLQDIOLSTDH-SFHVURJKSA-N	273.420	4.626	70	10	CJIE	
CCCNCc1oc2c(C)ccc(C(C)C)c2c1COC	161444682	GPCDMMIAGFZCIL-UHFFFAOYSA-N	289.419	4.511	70	10	CJIE	
CCCCN([C@@H](C)CC)[C@H](c1ccc(Cl)cc1)[C@@H](C)N	217830126	JKYWWKWLQILWMR-VBQJREDUSA-N	296.886	4.629	70	10	CJIE	
Cc1cccc2c1OCCC[C@H]2N[C@H]1CCC[C@H](C)[C@H]1C	217895692	OZUXRKRYOZLWOU-UNQWWWNPSA-N	287.447	4.623	70	10	CJIE	
CC[C@@H](C)[C@H](C)N[C@H](c1ccccc1)c1cccs1	217965498	LIZDEYQCQNEYCB-JKIFEVAISA-N	273.445	4.862	70	10	CJIE	
CCCN[C@@H](c1ccccc1OCC)[C@H]1CCC[C@@H](C)C1	218007868	QDMOPNAZGYXSLV-JTDSTZFVSA-N	289.463	4.952	70	10	CJIE	
CC[C@H](N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)c1ccco1	218142422	UJIJITSFSGJFEP-YOKBYHGQSA-N	261.409	4.535	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1Cc1cc(F)cc(F)c1	218649724	FSTWUXXPWVCWQJ-GRDNDAEWSA-N	295.417	4.558	70	10	CJIE	
C=C(CCN(C)[C@H]1CCC[C@H](CC)CC1)[B-](F)(F)F	2044973062	UOJYMXGRLKWBKY-KBPBESRZSA-N	276.175	4.610	70	10	CJIE	
C=C(CCN(C)C1CCC2(CCCC2)CC1)[B-](F)(F)F	2114954758	WOYIYCJNUDWBOJ-UHFFFAOYSA-N	288.186	4.754	70	10	CJIE	
CCCN[C@@H](c1cccs1)C1C2CC3CC(C2)CC1C3	160138853	SRVXKBIOQSCHOO-OLKDXYPGSA-N	289.488	4.861	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)c1cc(F)cc(F)c1	161417110	XBNCWAQISRHIHY-KRWDZBQOSA-N	279.374	4.896	70	10	CJIE	
CC(C)c1ccccc1NC(=O)Nc1ccc(N(C)C)cc1	217311356	VWDFKAKYIBYQTQ-UHFFFAOYSA-N	297.402	4.520	70	10	CJIE	
CCCN[C@@H]1CC[C@H](CCC)C[C@@H]1Cc1ccsc1	217729529	PLYDXQLXBFLWPU-USXIJHARSA-N	279.493	4.875	70	10	CJIE	
CCCN[C@H](c1ccc(OCC)cc1)[C@@H]1CCC[C@@H](C)C1	218008613	ZJOHQJAHTIBUEZ-SZVBFZGTSA-N	289.463	4.952	70	10	CJIE	
Cc1cccc2c1OCCC[C@H]2NC[C@@H]1CCCC[C@H]1C	218152370	BJVVJWWOILLLGN-UWWQBHOKSA-N	287.447	4.625	70	10	CJIE	
CC(=C[B-](F)(F)F)c1ccc(C(F)(F)F)s1	1912965079	WXBUAOFLBCCTIG-UHFFFAOYSA-N	259.003	4.557	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1OCC1C[C@@H](C)C[C@H](C)C1	2149171206	SXOBOMRGLIDYHV-RYUDHWBXSA-N	299.165	4.501	70	10	CJIE	
F[B-](F)(F)[C@H]1CCCN(CC2C[C@H]3CCC[C@H](C2)C3)C1	2225291193	XYMRZYCIZNIWCK-YDHLFZDLSA-N	288.186	4.516	70	10	CJIE	
CC(C)=C(CN(C)[C@@H]1CCC[C@@H](C)CC1)[B-](F)(F)F	2317863051	GNCZTVXUQWZSFP-CHWSQXEVSA-N	276.175	4.610	70	10	CJIE	
CCCn1nccc1CNc1cc(Cl)c(C)cc1Cl	160206567	ABMJGTOPCJNPRW-UHFFFAOYSA-N	298.217	4.520	70	10	CJIE	
CCCOc1ccc(N[C@@H]2CCc3ccc(C)cc32)cc1	160822055	SFESAFNXTMZULL-LJQANCHMSA-N	281.399	4.883	70	10	CJIE	
CC(C)(C)c1ccc(C[C@H](N)c2cccc(F)c2F)cc1	161275624	FPUQYLMCOIEWSF-INIZCTEOSA-N	289.369	4.505	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)[C@@H]1CCOC2(CCC2)C1	161381372	AFGWWJZNWYJOQU-MSOLQXFVSA-N	291.479	4.594	70	10	CJIE	
CC(C)CNCc1oc2cc(F)cc(F)c2c1C(C)(C)C	161462615	ANYHFLUQVBIRHM-UHFFFAOYSA-N	295.373	4.754	70	10	CJIE	
C[C@@H](N[C@H](c1ccc(F)cc1)C1CC1)[C@@H]1C[C@@H]2CC[C@@H]1C2	217839841	NIRFPBVQMMLOSL-SPQZNONHSA-N	287.422	4.691	70	10	CJIE	
CCCN[C@@H](c1ccccc1OCC)[C@@H]1CCC[C@@H](C)C1	218007712	QDMOPNAZGYXSLV-GPMSIDNRSA-N	289.463	4.952	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@H]1c1cc(Cl)ccc1Cl	1885275356	UJWWAQLJWUQRTD-POYBYMJQSA-N	253.867	4.698	70	10	CJIE	
C=C(CCN(C)CC[C@H]1CCCCC12CC2)[B-](F)(F)F	2264931246	MNGGHGYUVYNTOD-CQSZACIVSA-N	288.186	4.612	70	10	CJIE	
CC(C)NC[C@@H](Cc1c(F)cccc1Cl)C1CCCC1	159968991	XHXWOPSRBKDZTH-CQSZACIVSA-N	297.845	4.826	70	10	CJIE	
CN[C@H](Cc1ccc(C(C)(C)C)cc1)c1cc(C)oc1C	161259966	VVGQLLHNDPISIR-GOSISDBHSA-N	285.431	4.697	70	10	CJIE	
CCCN[C@@H]1CC[C@@H](CCC)C[C@@H]1Cc1ccccc1	217734681	KALKURVJBQHPLH-BHIYHBOVSA-N	273.464	4.814	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@@H](N)[C@@H](CCCOc2ccccc2)C1	217740718	HFWKYENPOKEHEG-XYJFISCASA-N	289.463	4.635	70	10	CJIE	
Cc1ccc(C)c([C@]2(O)C[C@H](C)CC[C@H]2C(C)C)c1	217866918	CMWRBDOJXPNPHE-HFTRVMKXSA-N	260.421	4.583	70	10	CJIE	
C[C@H](N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1	218072267	SBAUBHJLBAGASB-KMANFZQXSA-N	263.469	4.760	70	10	CJIE	
CC[C@H]1CCCC[C@H]1O[C@H](c1ccccc1C)[C@@H](N)CC	218245060	HUQWPETVNVHRRY-GDAAHCPNSA-N	289.463	4.759	70	10	CJIE	
CCCCN(CC)[C@@H](CC)[C@@H](NCCC)c1ccccc1	218609209	VHDFJTVPOLOLBD-OALUTQOASA-N	290.495	4.628	70	10	CJIE	
CC(C)CC1([C@H](O)c2cccc(OC3CC3)c2)CCCC1	159957781	VAXAEWCYLQUUSH-GOSISDBHSA-N	288.431	4.868	70	10	CJIE	
CCCN[C@H](C1=CCCCO1)c1cccc2ccccc12	160000254	UWHSWNTURKBQSI-IBGZPJMESA-N	281.399	4.575	70	10	CJIE	
N[C@H](CC1CCCCC1)CC12CC3CC(CC(C3)C1)C2	161067514	CCJWZSPDKSBVOC-GSBYPIHSSA-N	275.480	4.891	70	10	CJIE	
Cc1ccsc1[C@@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)[C@@H](C)N	217898796	LSKULKJQEDNSOQ-NGFQHRJXSA-N	295.492	4.676	70	10	CJIE	
CCCN[C@@H]1CC[C@H](CCC)C[C@@H]1Oc1cccc(F)c1	218776405	ITOVSDAZWZILGG-QGTPRVQTSA-N	293.426	4.542	70	10	CJIE	
Fc1cccc2c1ccn2Cc1ccc(C(F)(F)F)cc1	161332226	NREPLDIKCBCLHN-UHFFFAOYSA-N	293.263	4.848	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NC)[C@@H](CCCOc2ccccc2)C1	217699536	SBMACLFFSIRMDG-ZIFCJYIRSA-N	289.463	4.650	70	10	CJIE	
FC(F)(F)Sc1ccccc1N[C@H]1C[C@@H]2CC=C[C@H]21	218047636	XIPJSJZVTSVMND-UMNHJUIQSA-N	285.334	4.675	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCc1ccc(Cl)cc1N	218249938	JWTNYQISHFJQCH-PVUWLOKVSA-N	295.854	4.900	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@H](O)[C@@H](Cc2ccc(F)cc2Cl)C1	218304928	WZXFSWPIRZXZEK-ZENOOKHLSA-N	298.829	4.845	70	10	CJIE	
CCN[C@@H]1CC[C@@H](C(C)C)C[C@@H]1N(CC)CC(CC)CC	218671272	AWQCHGZUJDBRBS-QRVBRYPASA-N	296.543	4.547	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1O[C@H](C)CCC(C)C	1890598517	ZCLDFKYFARQDJY-GFCCVEGCSA-N	287.154	4.507	70	10	CJIE	
C=CCCCCCCCOc1ccccc1[B-](F)(F)F	2227289562	VVUMLWHOJNWZAT-UHFFFAOYSA-N	285.138	4.646	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCN(C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1	2342456285	CIQRQNDJUWMSSF-KBUPBQIOSA-N	288.186	4.516	70	10	CJIE	
CC[C@H]1CCC[C@@H](c2nc(CC(C)C)c(CNC)s2)C1	159697678	ZQTNYLKIHZCQHB-UONOGXRCSA-N	294.508	4.745	70	10	CJIE	
CC(C)Cc1cccc([C@@H](O)C[C@H](C)C(C)(C)C)c1	159864947	ZARPTINQCYYVHO-YOEHRIQHSA-N	262.437	4.991	70	10	CJIE	
CN[C@@H](CC1CCCCC1)c1c(F)ccc(C)c1F	161077104	QXORHVNAEAQCLX-AWEZNQCLSA-N	267.363	4.504	70	10	CJIE	
CCO[C@]1(C(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)CCC[C@H](C)C1	161216464	IJDXQTAJBZUAAX-ZNFSNMQZSA-N	280.452	4.613	70	10	CJIE	
CN[C@H](CC1=CCCCC1)c1ccccc1OC(C)C	161297331	RZNHKJFOXKFMPG-QGZVFWFLSA-N	273.420	4.625	70	10	CJIE	
CC[C@@H]1CC[C@H](NC)[C@@H](Cc2cccc(C(F)(F)F)c2)C1	217655189	UPNLIFWJBXOTAT-XPKDYRNWSA-N	299.380	4.662	70	10	CJIE	
C[C@H]1CCC[C@@H]([C@@H](N)Cc2ccc(C(C)(C)C)cc2)C1	217950242	GOFPTDGAUSFTBT-LESCRADOSA-N	273.464	4.680	70	10	CJIE	
Cc1ccc([C@H](O[C@@H]2C[C@@H](C)CC(C)(C)C2)[C@@H](C)N)s1	218262725	AROXILWGBZWVQS-XKVFNRALSA-N	295.492	4.676	70	10	CJIE	
CC(C)C(CCN1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1)C(C)C	1879771850	NAPRUTFOUQOLQB-UKRRQHHQSA-N	290.202	4.618	70	10	CJIE	
COc1ccc([C@H]2C[C@H]2[B-](F)(F)F)c2ccccc12	2059004517	XWAPGNAYEKZDIM-CHWSQXEVSA-N	265.063	4.553	70	10	CJIE	
CC[C@@H](NC(=O)CCc1nc(CSC)no1)c1c(C)noc1C	160211376	JGOBTNVHJLGHPY-SFHVURJKSA-N	338.433	2.738	70	10	CJIE	
CCOC1(c2nc(C)c(C)c(Cl)n2)CCC(C)(C)CC1	160388391	COJLODKGALQKIR-UHFFFAOYSA-N	296.842	4.579	70	10	CJIE	
CC(C)Cc1cccc([C@@H](O)c2cc(F)cc(Cl)c2)c1	161196771	CZXSTNNQMXAGTD-QGZVFWFLSA-N	292.781	4.759	70	10	CJIE	
CC(C)c1c(CN)oc2ccc(Oc3ccccc3)cc12	161253531	PNMBDJLSMKBKAB-UHFFFAOYSA-N	281.355	4.807	70	10	CJIE	
CN[C@H](Cc1ccc(C(C)(C)C)cc1)C1(C)CCCC1	161298841	JYIFVJIECCREGS-QGZVFWFLSA-N	273.464	4.695	70	10	CJIE	
CCOC1(C(=O)c2c(F)ccc(C)c2F)CCCCCC1	161339069	DNZDJVLBMGYRKD-UHFFFAOYSA-N	296.357	4.585	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](N)[C@@H](Cc2cccc3ccccc23)C1	217778710	AFQNHHGLYNELJV-ILZDJORESA-N	281.443	4.782	70	10	CJIE	
CCOc1ccc([C@@H](C)N[C@@H]2CCCC[C@@H]2CC)cc1	217848816	SPVGJPYKBRKZAE-RVKKMQEKSA-N	275.436	4.705	70	10	CJIE	
Cc1cc(C)c(C[C@]2(N)C[C@H](C)CC[C@H]2C(C)C)c(C)c1	217882767	VBHRMFKLBGLQHU-VOBQZIQPSA-N	287.491	4.944	70	10	CJIE	
CCN[C@@H](c1ccc(F)c(C)c1)[C@H]1CCC[C@@H](C)C1	217981265	KPDCVRRMBZUDDN-HACGYAERSA-N	263.400	4.611	70	10	CJIE	
CCN[C@@H](Cc1ccc(Cl)cc1)[C@H]1CCC[C@@H](C)C1	218007170	JYNNHVMNMVAEOZ-KMFMINBZSA-N	279.855	4.687	70	10	CJIE	
Cc1nc(C)c([C@H](C)N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)s1	218483104	CQJLBSIARKUENT-HVOFVXBASA-N	292.492	4.625	70	10	CJIE	
Cc1ccc([C@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)cc1C	218554676	KPAJMLSVAITYGB-JEBQAFNWSA-N	290.447	4.568	70	10	CJIE	
O=C(N/C=C/C1CCCC1)Nc1cccc2ccccc12	218604373	OCWNRWQSDKICIH-OUKQBFOZSA-N	280.371	4.665	70	10	CJIE	
CCNC[C@H](O[C@H]1C[C@@H](C)CC(C)(C)C1)c1ccccc1	218754452	XUDWRYXKPRIEMF-NJAFHUGGSA-N	289.463	4.569	70	10	CJIE	
CC(C)[C@H]1CC[C@H](CN)[C@@H](Cc2ccc(Cl)s2)C1	218777574	WUVWTWYZFBTRDR-YNEHKIRRSA-N	285.884	4.591	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OCCCC(C)(C)C	1890651979	WIULMWAXYDFCAL-UHFFFAOYSA-N	287.154	4.509	70	10	CJIE	
C=C(CCN(Cc1ccccc1)[C@H](C)C1CC1)[B-](F)(F)F	1954696399	FUWADZUDVVECCZ-CQSZACIVSA-N	296.165	4.620	70	10	CJIE	
CC[C@H]1CCCC[C@H]1OCC(=C(C)C)[B-](F)(F)F	2301964634	MCPPSFFBCGFQPM-WCQYABFASA-N	263.132	4.695	70	10	CJIE	
Cc1coc2c(Br)c3ccccc3cc12	160629708	ABJNXLSLZQZBTF-UHFFFAOYSA-N	261.118	4.657	70	10	CJIE	
O=C(CCC1CCCC1)N1CCCC[C@H](c2ccccc2)C1	217287315	BHEVSCRFUACVJE-IBGZPJMESA-N	299.458	4.753	70	10	CJIE	
CCCCN([C@@H](C)CC)[C@H](c1ccc(F)cc1)[C@@H](N)CC	217829970	KRHVFMUNFULBHF-JCGIZDLHSA-N	294.458	4.505	70	10	CJIE	
FC(F)(F)c1cc(N[C@H]2C[C@@H]3CC=C[C@H]32)ccc1Cl	217984887	UINRMBVFBDRIAB-PLMOITTCSA-N	287.712	4.735	70	10	CJIE	
Cc1cccc(C2CC(N[C@H]3CCC[C@@H](C)[C@H]3C)C2)c1	218065776	VIDSICUSDLBBEX-VRVMVEOCSA-N	271.448	4.655	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1NCc1cc2c(s1)CCC2	218126529	OMXUFPTWEFHFEC-XKQJLSEDSA-N	291.504	4.787	70	10	CJIE	
CC[C@H](C)[C@@H](c1ccccc1)[C@@H](O)c1ccc(F)c(F)c1	218130192	JFWATSYFEYCNSC-IGNZVWTISA-N	290.353	4.828	70	10	CJIE	
CC[C@@H]1CCCC[C@H]1N[C@H](c1ccccc1)C(C)C	218154342	WNUUCMREIZBWCH-NXHRZFHOSA-N	259.437	4.942	70	10	CJIE	
CNC[C@@]1(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CCC[C@@H](C)C1	218750066	MNIFWUDETARDFM-UURKPOQGSA-N	295.511	4.632	70	10	CJIE	
CC(C)=C(CSCc1occc1C)[B-](F)(F)F	1901649100	JFBQFVWCJOJSHQ-UHFFFAOYSA-N	263.113	4.544	70	10	CJIE	
O[C@H](c1ccccc1C1CCC1)[C@@H]1C[C@@H]1c1ccccc1	160010325	DUHGMHUEXHQQDT-VAMGGRTRSA-N	278.395	4.791	70	10	CJIE	
CCCN[C@@H](c1ccc(CC)o1)c1cccc(C)c1Cl	160311872	KKOOZCMZVZYGGV-QGZVFWFLSA-N	291.822	4.893	70	10	CJIE	
CCN[C@H](CCc1ccc(OC)cc1)CC1CCCCC1	161054083	IUZZHVDPBHYJKB-GOSISDBHSA-N	289.463	4.576	70	10	CJIE	
CC[C@H]1CC[C@@H](N)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	217645294	AFXAZMWLNGJJBU-YXJHDRRASA-N	273.464	4.680	70	10	CJIE	
CC[C@H]1CC[C@@H](NC)[C@@H](Cc2cccc(C(F)(F)F)c2)C1	217655114	UPNLIFWJBXOTAT-JGGQBBKZSA-N	299.380	4.662	70	10	CJIE	
CCC[C@H]1CC[C@H](NC)[C@@H](Cc2cc(C)cc(C)c2)C1	217699447	MZSCYVRXCWTOQI-UHOSZYNNSA-N	273.464	4.650	70	10	CJIE	
CCc1ccc(N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1	218072548	QCWKXVQMACIZEF-UWWQBHOKSA-N	257.421	4.876	70	10	CJIE	
CC(C)=C(COc1cc(C)ccc1Cl)[B-](F)(F)F	2301964589	LTRGPMBOYXWSQK-UHFFFAOYSA-N	277.502	4.750	70	10	CJIE	
CC(C)(C)NC[C@@H](Cc1ccc(F)cc1F)C1CCCC1	159994899	HSTQURGYHKNALW-OAHLLOKOSA-N	295.417	4.702	70	10	CJIE	
CCCc1c(CNC2CC2)oc2ccc(C(C)C)cc12	161361897	LFKSHGMHVQAHLH-UHFFFAOYSA-N	271.404	4.761	70	10	CJIE	
CCCN[C@@H](c1cc(C)cc(C)c1)[C@@H]1CCCCS1	161414680	KEPDQXPPIDSLOO-IRXDYDNUSA-N	277.477	4.630	70	10	CJIE	
CCC[C@@H]1CC[C@H](NC)[C@@H](Cc2ccc(CC)s2)C1	217711097	JABGWPDMMUJJCY-CPUCHLNUSA-N	279.493	4.657	70	10	CJIE	
C[C@H]1CCC(=C[B-](F)(F)F)[C@H](OCc2ccccc2)C1	1953545327	XUNZOLVIDXYBJF-SWLSCSKDSA-N	283.122	4.705	70	10	CJIE	
CC(C)NCc1sc([C@@H]2CCC[C@H](C)C2)nc1C1CC1	159535045	DMWVJYTUMRRDPS-GXTWGEPZSA-N	292.492	4.812	70	10	CJIE	
CCSCC[C@H](C)N[C@@H]1CCCCc2ccccc21	159986589	NEDUGFCGSZGGLW-WMLDXEAASA-N	277.477	4.575	70	10	CJIE	
CC(C)c1ccc([C@H](N)C2C3CC4CC(C3)CC2C4)cc1	160140219	YCBTZGJGCYNXAQ-NQFMDCMHSA-N	283.459	4.882	70	10	CJIE	
CCCC1CCC([C@@H](N)c2c(Cl)cnn2C(C)C)CC1	160497096	SLDXWNWODGSCGV-SSDMNJCBSA-N	297.874	4.724	70	10	CJIE	
CCN[C@@H](c1ccoc1C)c1c(C)ccc2ccccc12	160913276	OXIWPKNROZRDMZ-IBGZPJMESA-N	279.383	4.749	70	10	CJIE	
CC(C)[C@H]1CCC[C@@H](Nc2cccc(N(C)C)c2)CC1	161068575	PXAAKPSCXHGMDD-JKSUJKDBSA-N	274.452	4.769	70	10	CJIE	
CN[C@H](CC1=CCCCC1)c1cccc(C(F)(F)F)c1	161289957	IHGQRLAEEYALRB-OAHLLOKOSA-N	283.337	4.856	70	10	CJIE	
CCCN[C@@H](c1ccc(C)c(C)c1)[C@@H]1CCCCS1	161426360	FSWYUPILXPUNKP-IRXDYDNUSA-N	277.477	4.630	70	10	CJIE	
CCCN[C@H]1CCCCCC[C@@H]1N(C)[C@@H]1CCC[C@@H](C)C1	218681407	DIRIJBZVKCHVPD-YRXWBPOGSA-N	294.527	4.588	70	10	CJIE	
CCCN[C@H]1CC[C@H](CCC)C[C@@H]1OCc1ccccc1	218764627	IWTVVNRMGYNKMB-WDSOQIARSA-N	289.463	4.540	70	10	CJIE	
COC1(CSCC(=C(C)C)[B-](F)(F)F)CCCCC1	2317862947	FRFJTXNJVPESQT-UHFFFAOYSA-N	295.199	4.792	70	10	CJIE	
CCN[C@H](c1c(C)ccc2ccccc12)C1CCCC1	160924873	BIAXWRLMXFIUTM-IBGZPJMESA-N	267.416	4.989	70	10	CJIE	
CCCNCc1oc2c(F)ccc(C)c2c1C(C)C	161490500	XJRDUNGFKOYKGY-UHFFFAOYSA-N	263.356	4.503	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1NCc1c(F)cccc1F	217866062	YVBZWOWGQNFBEK-DCGLDWPTSA-N	281.390	4.515	70	10	CJIE	
Cc1cc(C)cc(N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1	218071468	GRPSGILSKLDRIN-YXJHDRRASA-N	257.421	4.930	70	10	CJIE	
Cc1ccc(C)c(N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1	218079291	VWTAQYRUPLJEMS-QILLFSRXSA-N	257.421	4.930	70	10	CJIE	
CC[C@H]1CCC[C@H]([C@@H](NC)c2cccc(Cl)c2F)C1	218731472	LDIMPYUZKLYQRM-MQIPJXDCSA-N	283.818	4.956	70	10	CJIE	
C=C(COc1ccc(C(C)(C)C)cc1C)[B-](F)(F)F	235770093	LLUUCVCYNUQFEK-UHFFFAOYSA-N	271.111	4.614	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@H]1c1cc(Cl)c(Cl)s1	1882178651	YIKNKDFNEQJRNF-DMTCNVIQSA-N	259.896	4.760	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(OC[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1	2149157112	ZWUNMOBHRCHGQQ-WDNDVIMCSA-N	299.165	4.501	70	10	CJIE	
CC(C)=C(CO[C@H](C)C1CCCCC1)[B-](F)(F)F	2301865127	UHAYMRCINHTGJV-LLVKDONJSA-N	263.132	4.695	70	10	CJIE	
CC(C)CCC[C@H](C)CCN1CC[C@H]([B-](F)(F)F)C1	2319655625	JABJNABNLSXRHF-KBPBESRZSA-N	278.191	4.762	70	10	CJIE	
CCC[C@H](CNC(C)(C)C)[C@@H]1C[C@@H]1c1ccccc1	159387383	ZJAHFOVUNBENCE-ZACQAIPSSA-N	259.437	4.595	70	10	CJIE	
CC(C)Cc1cccc([C@H](O)C[C@H](C)C(C)(C)C)c1	159864814	ZARPTINQCYYVHO-WMLDXEAASA-N	262.437	4.991	70	10	CJIE	
CCCN[C@H](C1CCCCC1)C(CC)(CC)OCC	159873350	XNTWHZXYPCHUEG-MRXNPFEDSA-N	269.473	4.530	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](Nc1c(F)cc(F)cc1F)CC2	160831423	PLTXKBMNJSFPKK-HNNXBMFYSA-N	277.289	4.512	70	10	CJIE	
CCN[C@H](c1c(C)ccc2ccccc12)[C@H](C)CC	160919654	WZKYCKNSKOZHAO-ACJLOTCBSA-N	255.405	4.845	70	10	CJIE	
CCc1ccc([C@H](N)Cc2ccc(C(C)(C)C)cc2)s1	161290294	KGWAXHVGEKZJPT-MRXNPFEDSA-N	287.472	4.851	70	10	CJIE	
CC[C@@H](C)Oc1cccc(N[C@@H]2CCC[C@@H](C)C2)c1	218183102	FNCLOJKKUOIFKE-RBSFLKMASA-N	261.409	4.855	70	10	CJIE	
CCc1ccc([C@H](O)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1	218553325	RXEOYAZOKUVAHK-ZTFGCOKTSA-N	290.447	4.514	70	10	CJIE	
CC(C)=C(CSc1cccc(F)c1)[B-](F)(F)F	1901704281	XMJBSVMKHQXSSB-UHFFFAOYSA-N	263.088	4.641	70	10	CJIE	
CCCOc1ccc(OCC(=C(C)C)[B-](F)(F)F)cc1	2340333657	HJQDUJPFOQDHJB-UHFFFAOYSA-N	287.110	4.577	70	10	CJIE	
O[C@H](CC1CCCCCC1)c1cc2cc(F)ccc2o1	159415561	YZFYDTAMKIXUOQ-OAHLLOKOSA-N	276.351	4.966	70	10	CJIE	
CC1(C)CC[C@@H](CSc2ccc(O)c3ccccc23)O1	160772255	KBLMROVSLVFJTD-LBPRGKRZSA-N	288.412	4.595	70	10	CJIE	
CC(C)(C)c1ccc(C[C@H](N)CC2CCCCC2)cc1	161252917	QHKFDHRKVHTTON-GOSISDBHSA-N	273.464	4.824	70	10	CJIE	
Cc1ccc2nc(Nc3ccc(C)c(N(C)C)c3)sc2c1	161380152	BMBKYHASKUUQDO-UHFFFAOYSA-N	297.427	4.723	70	10	CJIE	
CC[C@H](C)c1ccccc1NC(=O)NCc1ccccc1	217278243	ZUHNLBAOHVOPCR-AWEZNQCLSA-N	282.387	4.522	70	10	CJIE	
FC(F)Oc1cccc(N[C@@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c1	217746784	YOHVWIOENUQIDQ-RNPDWPAJSA-N	293.357	4.525	70	10	CJIE	
CN[C@H]1CC[C@@H](C(C)C)C[C@@H]1Cc1ccc(Cl)cc1	217792653	NIRVGPTWTHFOBF-VYDXJSESSA-N	279.855	4.543	70	10	CJIE	
Cc1cc(N(C)C)ccc1N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218117015	BOVBZMURZJHHQC-UCLAIMLFSA-N	286.463	4.688	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](C[C@@H]2C[C@@H]3CC[C@@H]2C3)C1	218761074	ZYSRDHRPGOJGAM-BLONOQDTSA-N	263.469	4.604	70	10	CJIE	
CC[C@@H]1CCCC[C@H]1Oc1cc(C)cc([B-](F)(F)F)c1C	686557685	FSLUANZENGRSED-UKRRQHHQSA-N	299.165	4.705	70	10	CJIE	
C=C(CCN(CC)c1cccc2ccccc12)[B-](F)(F)F	2163422346	AGQGSJOJTKUAPT-UHFFFAOYSA-N	292.133	4.999	70	10	CJIE	
C=CCCCCCCOCc1cccc([B-](F)(F)F)c1C	2283587905	ZQDILAZNBVWXDD-UHFFFAOYSA-N	299.165	4.703	70	10	CJIE	
CC(C)=C(CN(C)[C@H](C)[C@@]12CCCC[C@H]1C2)[B-](F)(F)F	2340129052	FEXWZZDEHMQWQI-IPYPFGDCSA-N	288.186	4.610	70	10	CJIE	
CC(C)=C(CN(C)[C@@H]1C[C@H](C)CC(C)(C)C1)[B-](F)(F)F	2340140775	QOUKAOXNFRDNDT-QWHCGFSZSA-N	290.202	4.856	70	10	CJIE	
CC(C)=C(CN1CC[C@@H]2CCCCC[C@@H]2C1)[B-](F)(F)F	2340327423	CLOGBBZRFICTCN-UONOGXRCSA-N	288.186	4.612	70	10	CJIE	
CC[C@H]1CCC[C@H](N[C@H](C)c2ccc(F)cc2)CC1	159838728	IXACZOQCWDESOF-KEYYUXOJSA-N	263.400	4.835	70	10	CJIE	
CCCN[C@H](c1cc2cc(F)cc(C)c2o1)C(C)(C)C	160732397	WVRGGEVKYWPELY-MRXNPFEDSA-N	277.383	4.967	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)C[C@H]1CCCc2ccccc21	161266058	CRTRRCOOZFMZDU-MOPGFXCFSA-N	283.459	4.975	70	10	CJIE	
CN[C@H]1CC[C@H](C(C)(C)C)C[C@@H]1CCOc1ccccc1	217753921	YXWORTRNRPDVGV-BQFCYCMXSA-N	289.463	4.506	70	10	CJIE	
CCCC[C@H](CC)CO[C@H](c1ccsc1)[C@@H](N)CC	218269889	YIAKYTMVKUUQEU-CWRNSKLLSA-N	283.481	4.760	70	10	CJIE	
C[C@H](N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccccc1	159814352	ZJUZSYAESANSIV-DZOHQFGASA-N	257.421	4.696	70	10	CJIE	
C[C@H](N[C@@H]1CCC[C@@H](C(C)(C)C)CC1)c1ccco1	160759451	FQUKAQWBDOEERS-RRFJBIMHSA-N	263.425	4.925	70	10	CJIE	
CCCc1ccc2oc(CNCC)c(C(C)C)c2c1	161453296	SJVMNGLUNWQQMX-UHFFFAOYSA-N	259.393	4.618	70	10	CJIE	
Cc1ccccc1[C@@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)[C@@H](C)N	218265547	FCDMHMFSLBOYOS-IIVZCXTMSA-N	289.463	4.615	70	10	CJIE	
CCN[C@@H]1CC[C@@H](C(C)(C)CC)C[C@@H]1Oc1ccccc1	218776104	IVIIVGUOIGUTJB-NXHRZFHOSA-N	289.463	4.648	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(OCC2C[C@H](C)C[C@@H](C)C2)c1	2149157110	ZWUNMOBHRCHGQQ-CHWSQXEVSA-N	299.165	4.501	70	10	CJIE	
ClCCCCOc1cccc(-c2ccccc2)c1	149655596	CLWHXHDYIDNGRJ-UHFFFAOYSA-N	260.764	4.751	70	10	CJIE	
CSc1ccccc1[C@H](O)c1cccc(CC(C)C)c1	159846361	GBMIXTKVISBSSU-GOSISDBHSA-N	286.440	4.689	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CNC(C)C)[C@H](c2cncc(C)c2)C1	161036385	IBUGAFZXGRIHJN-ZIFCJYIRSA-N	288.479	4.688	70	10	CJIE	
Cc1cncc([C@H]2CC(C)(C)CC[C@@H]2CNCC(C)C)c1	161042239	RDBKOXNLBLSPFI-AEFFLSMTSA-N	288.479	4.546	70	10	CJIE	
N[C@H](CC1=CCCCC1)C[C@H]1CCCc2ccccc21	161198248	LQAKIZFEQYNDPS-QZTJIDSGSA-N	269.432	4.714	70	10	CJIE	
CCCc1cccc(C(=O)C2(OC)CCC(C)(C)CC2)c1	161275104	TYZRSSPRVAZIMH-UHFFFAOYSA-N	288.431	4.807	70	10	CJIE	
Cc1cccc([C@H](N)Cc2ccc(C(C)(C)C)cc2)c1C	161288735	ZFBMLOXUVIQYGG-LJQANCHMSA-N	281.443	4.843	70	10	CJIE	
CCCN[C@H](c1cc(F)cc(F)c1)[C@@H]1CCC[C@@H](C)C1	218009590	HCHKFZZYNBXHRU-XNJGSVPQSA-N	281.390	4.832	70	10	CJIE	
C1=C[C@@H]2[C@H](C1)C[C@H]2Nc1ccccc1-c1cccs1	218199613	GUSKMMBDRQULTB-XJKCOSOUSA-N	267.397	4.792	70	10	CJIE	
CC(C)=C(CN(C)[C@@H](C)C12CCC(CC1)C2)[B-](F)(F)F	2340129626	MYEXRNGGQHVQLW-OPFPJEHXSA-N	288.186	4.610	70	10	CJIE	
CNCc1sc(C2CCC(C)(C)CC2)nc1CC(C)C	159737568	OIUFCOSPNGXWNX-UHFFFAOYSA-N	294.508	4.745	70	10	CJIE	
CCCc1cccc([C@H](O)Cc2cc(C)ccc2C)c1	159830614	OHUFPKXKFBANIY-LJQANCHMSA-N	268.400	4.532	70	10	CJIE	
Fc1cc(Cl)ccc1CNc1ccc2ncccc2c1	160814663	BOGHWQKNPNGYEH-UHFFFAOYSA-N	286.737	4.639	70	10	CJIE	
Cc1ccc([C@@H](N)c2c(C)ccc3ccccc23)cc1F	160865752	KJLCHWQBFPUMAI-LJQANCHMSA-N	279.358	4.644	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](O)CCC(F)(F)F	160973668	WFQFRLVHPCYRAH-ZDUSSCGKSA-N	268.278	4.524	70	10	CJIE	
Cc1cc(C)c2c(C(C)C)c(CNC(C)C)oc2c1C	161219190	KGNWMBUBGSUXGA-UHFFFAOYSA-N	273.420	4.979	70	10	CJIE	
CCC[C@H]1CC[C@H](N)[C@@H](Cc2cccc(C(F)(F)F)c2)C1	217689992	LHXWHLKTCYUVOR-BJJXKVORSA-N	299.380	4.792	70	10	CJIE	
CC[C@@H](C)[C@@H](c1ccccc1)[C@@H](NC)c1cc(C)oc1C	217877801	CPFVZJBFKUOILB-VMDGZTHMSA-N	285.431	4.987	70	10	CJIE	
C[C@@H]1CCC[C@@H]([C@@H](N)c2cccc3ccccc23)C1	217944785	XGWDPAKLNPWNFC-DDUZABMNSA-N	253.389	4.666	70	10	CJIE	
CC[C@H](C)[C@H](c1ccccc1)[C@@H](O)c1ccc(F)c(F)c1	218130032	JFWATSYFEYCNSC-RZAIGCCYSA-N	290.353	4.828	70	10	CJIE	
CCCN[C@H](c1cc(F)ccc1Cl)[C@H]1CC[C@@H](C)C1	218499030	JXSICEHYSPBXMI-WQGACYEGSA-N	283.818	4.956	70	10	CJIE	
CCC1(CC)C[C@H](N[C@@H]2CCC[C@@H](C(C)C)CC2)CCO1	218650741	JLVSLCKHSKGVMY-KZNAEPCWSA-N	295.511	4.919	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](CCCc2ccccc2)C1	218753887	ZKYFPXHBNCMZEG-CEXWTWQISA-N	273.464	4.801	70	10	CJIE	
CC(C)(C)NCC1([C@H]2C[C@H]2c2ccccc2)CCCC1	159415116	APNGCXQHGRKXTL-IRXDYDNUSA-N	271.448	4.739	70	10	CJIE	
Cn1cc(C(=O)C2CCCCCC2)c2ccc(Cl)cc21	159627877	ACTPUSJWADEXDE-UHFFFAOYSA-N	289.806	4.985	70	10	CJIE	
CCN[C@H](c1ccc(CC)o1)C1C2CC3CC(C2)CC1C3	160145870	AMKWOXNMFZUHPT-RFBLSPGNSA-N	287.447	4.565	70	10	CJIE	
CCN[C@@H](Cc1ccc(CC)s1)c1cc(C)ccc1C	161207535	FNZKQCBQLRIUJY-SFHVURJKSA-N	287.472	4.821	70	10	CJIE	
CC[C@@H]1CCC[C@@H](Nc2ccc(C)c(N(C)C)c2)CC1	161213329	ZMNWDWRHPDTCNR-HZPDHXFCSA-N	274.452	4.832	70	10	CJIE	
CCc1ccsc1[C@H](N)Cc1ccc(C(C)(C)C)cc1	161255209	OEXJCVYHBAWWJV-MRXNPFEDSA-N	287.472	4.851	70	10	CJIE	
CCOC1(C(=O)c2cc(C)cc(C)c2)CCCCCC1	161352591	NHOJWTZVVMMKDW-UHFFFAOYSA-N	274.404	4.616	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)Cc1ccc(Cl)cc1	161355761	ZYIZQJUVIQQBKH-QGZVFWFLSA-N	277.839	4.751	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc(-c3cc(N)ccn3)ccc21	161495008	OQQQXTBPIDLSKV-UHFFFAOYSA-N	280.415	4.680	70	10	CJIE	
CCN(C(=O)Nc1ccc(C(C)(C)C)cc1)C(C)(C)C	217301322	YGKFOKBSCOGDEX-UHFFFAOYSA-N	276.424	4.636	70	10	CJIE	
CCN[C@@H](Cc1c(F)cccc1Cl)[C@@H]1CCC[C@@H](C)C1	217983847	AFIKITJWLKORTK-XNJGSVPQSA-N	297.845	4.826	70	10	CJIE	
CC[C@@H](C)[C@@H](C)N[C@H](c1ccc(Cl)cc1)C1CC1	218137898	FMLNJWKJFDONIV-HSMVNMDESA-N	265.828	4.815	70	10	CJIE	
CC(C)[C@H]1CC[C@H](N)[C@@H](C[C@@H]2CCCc3ccccc32)C1	218527043	QIJIQJRDSUNYOZ-GNBUJSLZSA-N	285.475	4.896	70	10	CJIE	
CCCCN([C@H](C)CC)[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1O	218533421	NIIGBDRQTCKJGP-TVFCKZIOSA-N	297.527	4.853	70	10	CJIE	
C[C@H]1C[C@H](C)CCN1[C@@H]1CCCCCCCCCC[C@@H]1O	218535240	YFHUCNXXKWTUOD-HCXYKTFWSA-N	295.511	4.751	70	10	CJIE	
CC[C@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)[C@@H](O)c1ccccc1	218554127	NBUTZVRDSLPPNA-BGTYHANMSA-N	290.447	4.730	70	10	CJIE	
CC(C)=C(CO[C@@H]1C[C@@H](C)C[C@@H](C)C1)[B-](F)(F)F	2301963987	GWXAQQWVBSWGBJ-GDNZZTSVSA-N	263.132	4.551	70	10	CJIE	
CC(=O)c1ccc(F)c(-c2sccc2Br)c1	159746902	QGMBPQAWAIRHIO-UHFFFAOYSA-N	299.164	4.519	70	10	CJIE	
Cc1cccc([C@@H](N)Cc2ccc(Cl)cc2Cl)c1F	160453856	IUHMSBDWLSVJPU-AWEZNQCLSA-N	298.188	4.683	70	10	CJIE	
CCN[C@@H](Cc1ccc(C(C)(C)C)cc1)C(CC)CC	161258337	PWBYVFWQZYNWTM-SFHVURJKSA-N	275.480	4.941	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1cc(F)ccc1F	161357240	JFIXNJZRYPUIDI-INIZCTEOSA-N	265.347	4.506	70	10	CJIE	
CCCc1c(CNC2CC2)oc2c(C(C)(C)C)cccc12	161384014	PNOPQBNWOSYGIQ-UHFFFAOYSA-N	285.431	4.935	70	10	CJIE	
CCN[C@H]1CC[C@@H](CC)C[C@@H]1Cc1c(F)cccc1Cl	217665852	AITGSVIAHQKNTP-XNJGSVPQSA-N	297.845	4.826	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCCNC1CCCCCC1	217891159	UADQOGYRVQNNAT-WDSOQIARSA-N	295.511	4.776	70	10	CJIE	
CCCN[C@@H](Cc1ccc(C)cc1)[C@@H]1CCC[C@@H](C)C1	218028327	UZANEGVJULJJKC-QRQLOZEOSA-N	273.464	4.732	70	10	CJIE	
CCN[C@H](CS[C@@H]1CCC[C@H](C)C1)C1CCCCC1	159364966	MPOVHCSGHNZYBY-USXIJHARSA-N	283.525	4.857	70	10	CJIE	
C[C@H](CCNCc1cc(Cl)ccc1F)c1ccccc1	160819281	IBNFWMWCTLIUQR-CYBMUJFWSA-N	291.797	4.763	70	10	CJIE	
CCN[C@H](c1ccc(OC(C)C)cc1)[C@H]1CCC[C@@H](C)C1	217975732	PLFAIGYWCURMRA-HHXXYDBFSA-N	289.463	4.951	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1OC[C@@H](NC)c1cc(C)ccc1C	218782226	ZTDHEFNBIVCAMZ-UHOSZYNNSA-N	289.463	4.549	70	10	CJIE	
F[B-](F)(F)/C=C\c1ccc(Cl)cc1C(F)(F)F	309613965	PPTGOHDVYRVLNR-ARJAWSKDSA-N	273.392	4.759	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl	1885275924	YLLNHHDXNAHLEJ-SFYZADRCSA-N	253.867	4.698	70	10	CJIE	
CCCN[C@@H]1CCCCCC[C@@H]1Oc1ccc(F)cc1C	160561301	YMOLHJHUNTWIKK-AEFFLSMTSA-N	293.426	4.604	70	10	CJIE	
CCCc1ccc(C(=O)C2(OCC)CCCCC2)cc1	160823623	FTRZHWQHJDRAPQ-UHFFFAOYSA-N	274.404	4.561	70	10	CJIE	
CCCC1CC(CNCC(C)C)(C2=CCCCC2)C1	161469177	ZFMUOOOOPLLEHU-UHFFFAOYSA-N	263.469	4.929	70	10	CJIE	
C1CC[C@@H]2C[C@H](N[C@@H]3C[C@H]4C[C@H]3[C@@H]3CCC[C@H]43)CC[C@@H]2C1	217643800	SVAXZDXSJJDZKL-JNUSXZPVSA-N	287.491	4.760	70	10	CJIE	
C[C@H](Cc1ccc(F)cc1)N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218203334	LXSPWFLPRINENK-ZSFPCNDZSA-N	289.438	4.561	70	10	CJIE	
CC(C)(C)c1csc2cc(Br)ccc12	218684014	FIKBBXIXZJUSCO-UHFFFAOYSA-N	269.207	4.961	70	10	CJIE	
F[B-](F)(F)/C=C/c1ccc(Cl)c(C(F)(F)F)c1	393643255	ZJNXJKIEZIPMCH-ONEGZZNKSA-N	273.392	4.759	70	10	CJIE	
CCCCC[C@@H](CCc1ccc(OC)cc1)NCCC	159588495	SQSIDNJFXVESGM-KRWDZBQOSA-N	277.452	4.576	70	10	CJIE	
CCCC(CCC)[C@H](Cc1ccc(F)cc1Cl)NC	160546571	ADCSRRBEHGUIMI-INIZCTEOSA-N	285.834	4.826	70	10	CJIE	
Cc1ccccc1C[C@@H](N)c1cc2ccc(F)cc2s1	161172895	BTSXRXJXDPTLLT-OAHLLOKOSA-N	285.387	4.591	70	10	CJIE	
CCc1ccc(C[C@@H](NC)c2ccccc2SC)s1	161229823	VATASZOBYYFJEH-OAHLLOKOSA-N	291.485	4.536	70	10	CJIE	
Cc1ccc([C@]2(N)C[C@@H](C)CC[C@H]2C(C)C)c(C)c1	217880683	XLWFRKSPVKFLQC-ZVZYQTTQSA-N	259.437	4.550	70	10	CJIE	
CCCN[C@@H](c1cc(F)cc(F)c1)[C@@H]1CCC[C@@H](C)C1	218009679	HCHKFZZYNBXHRU-PBFPGSCMSA-N	281.390	4.832	70	10	CJIE	
CC(C)c1ccc(C[C@H]2C[C@H](C(C)C)CC[C@H]2O)cc1	218316557	ZTJVFEBVTFPCSW-CEXWTWQISA-N	274.448	4.786	70	10	CJIE	
Cc1cc(C)c(C23CC([B-](F)(F)F)(C2)C3)c(C)c1	1887497183	HKAQCUNZLLASGT-UHFFFAOYSA-N	253.096	4.635	70	10	CJIE	
C=C(CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)[B-](F)(F)F	2044980658	XANWDSBCKHUEFQ-MBNYWOFBSA-N	275.143	4.551	70	10	CJIE	
CC(C)=C(CN1CCCC[C@@H]1c1ccco1)[B-](F)(F)F	2340328443	MDDQJQVGCQZLTE-CYBMUJFWSA-N	286.126	4.530	70	10	CJIE	
CC1CCC(c2nc(C3CC3)c(CNC3CC3)s2)CC1	159576889	BWWSYGYEBYIRBK-UHFFFAOYSA-N	290.476	4.566	70	10	CJIE	
Cc1cc(F)ccc1C[C@H](O)c1cc2sccc2s1	159894184	GHXDDPHCPJLIGI-LBPRGKRZSA-N	292.400	4.686	70	10	CJIE	
N[C@H](CC1=CCCCC1)c1cccc2ccccc12	161201298	WONQJKADGLLRQE-GOSISDBHSA-N	251.373	4.730	70	10	CJIE	
N[C@H](CC1=CCCCC1)c1ccc2ccccc2c1	161221870	OSXQRLUZCKHAPK-GOSISDBHSA-N	251.373	4.730	70	10	CJIE	
CCC(C)(C)c1ccc2oc(CNC)c(C(C)C)c2c1	161251879	KLVQOEIKHPMEOO-UHFFFAOYSA-N	273.420	4.963	70	10	CJIE	
CCN[C@@H](Cc1ccc(C(C)(C)C)cc1)C[C@@H](C)CC	161266070	PMPOJPFAAQMTQD-MAUKXSAKSA-N	275.480	4.941	70	10	CJIE	
CN[C@H]1CC[C@H](C)C[C@@H]1Cc1c(Cl)cccc1Cl	217632070	WSUBBJZALRTLLI-RWSFTLGLSA-N	286.246	4.560	70	10	CJIE	
CCCCN([C@H](C)CC)[C@H](c1ccc(F)cc1)[C@@H](N)CC	217830056	KRHVFMUNFULBHF-FHLIZLRMSA-N	294.458	4.505	70	10	CJIE	
CCC[C@H]1CC[C@@H](CN)[C@@H](Cc2cc(C)cc(C)c2)C1	218749957	RUVZUFUTMSKNKD-YTQUADARSA-N	273.464	4.637	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1O[C@@H]1C=CCCCCC1	2197462326	WQIUFFBRRRMDLY-OAHLLOKOSA-N	297.149	4.571	70	10	CJIE	
CC[C@H](C)c1ccccc1OCc1nc(C)cc(Cl)n1	159724848	HQMSJODMIPEZIQ-NSHDSACASA-N	290.794	4.531	70	10	CJIE	
O[C@@H](CCC1CCCC1)c1ccccc1C1CCC1	160028964	QTNMPDKNQOKLIP-SFHVURJKSA-N	258.405	4.958	70	10	CJIE	
CCN[C@H](CC1CCCCC1)c1ccc(Cl)cc1OC	161008559	RINOZSZNLLXFSF-MRXNPFEDSA-N	295.854	4.970	70	10	CJIE	
Cc1ccc2ccccc2c1CCCCNCC(C)C	161114073	CJRDUXCNXWHDPZ-UHFFFAOYSA-N	269.432	4.717	70	10	CJIE	
CCCNCc1oc2c(C)cc(Cl)cc2c1C1CC1	161178358	XOXJUFPQOKINMV-UHFFFAOYSA-N	277.795	4.772	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)c1cccc(F)c1	161429143	IXUNZXKKRFCKHQ-KRWDZBQOSA-N	261.384	4.757	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@H](N)[C@@H](CC2CCCCC2)C1	217749696	JYPWTSPVPIVGPQ-JYJNAYRXSA-N	251.458	4.747	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1Cc1cc(F)ccc1F	217754522	ZUDWLERTTKFXRO-GRDNDAEWSA-N	295.417	4.558	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(Cl)cc1CN	218233699	SYTKTINHDJQTFK-VMGRFDJRSA-N	295.854	4.638	70	10	CJIE	
Cc1ccc([C@H](CN)O[C@H]2C[C@@H](C)CC[C@H]2C(C)C)s1	218252709	NSCMKMNVTPHKEV-TUUVXOQKSA-N	295.492	4.534	70	10	CJIE	
CCCC[C@@H](CC)CO[C@@]1(CNC2CC2)CCC[C@@H](C)C1	218755638	JQFMUAHQNKAZGZ-LMMKCTJWSA-N	295.511	4.920	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1O[C@@H]1CCCC[C@H]1CC	2197461583	NFRKPWMQSOPQHU-IUODEOHRSA-N	299.165	4.651	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OC1CC(C(C)(C)C)C1	2197462636	AHKNUMGGZLYELP-UHFFFAOYSA-N	299.165	4.507	70	10	CJIE	
C=CCCCCCCCN1CC[C@@](C)([B-](F)(F)F)C1	2319725487	CQWXZFYOVTZRRY-CQSZACIVSA-N	276.175	4.826	70	10	CJIE	
CCN[C@@H](Cc1cccc(OC)c1)C[C@H](C)CC(C)(C)C	160644395	VWTTVDPXEGGCET-DOTOQJQBSA-N	291.479	4.678	70	10	CJIE	
CCCNCc1oc2c(C)c(C)cc(C)c2c1C(C)C	161213342	ZRSQHNGPPHKKBW-UHFFFAOYSA-N	273.420	4.981	70	10	CJIE	
Cc1ccsc1[C@@H](N)Cc1ccc(C(C)(C)C)cc1	161280162	YLBGYZSXEOKKFG-HNNXBMFYSA-N	273.445	4.597	70	10	CJIE	
C[C@@]12CC3CC(c4nc5c([nH]4)CCCC5)(C1)C[C@](C)(C3)C2	216847455	NXJHORDVUMOQAU-DFDFAMMDSA-N	284.447	4.537	70	10	CJIE	
CCN[C@H]1CC[C@@H](CC)C[C@@H]1Cc1ccccc1Cl	217672570	VEZIXKXSNYOIEE-UNEWFSDZSA-N	279.855	4.687	70	10	CJIE	
CC[C@H](N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1OC	217883275	IAGXHIBXAHRPRL-YQFWSFKMSA-N	275.436	4.561	70	10	CJIE	
CCN[C@H](c1ccc(F)cc1C)[C@@H]1CCC[C@@H](C)C1	217980701	JHBALLIFJAJWPO-MRRJBJDNSA-N	263.400	4.611	70	10	CJIE	
CC(C)(C)NC[C@@H]1CCCC[C@@H]1[C@@H]1C[C@@H]1c1ccccc1	159666818	DPFSCTWOXLLNKG-OKYOBFRVSA-N	285.475	4.985	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)s1)c1cccc(C)c1C	161120031	AEEIUQRBKXVGOL-GOSISDBHSA-N	287.472	4.821	70	10	CJIE	
CO[C@H](C(=O)Cc1ccc(C(C)C)cc1)C1CCCCC1	161399358	PGGCJLAGYOSBCK-IBGZPJMESA-N	288.431	4.517	70	10	CJIE	
CC[C@H](C)c1ccc(OCc2ccccc2F)cc1	217396555	SNLXGAWTYKETGJ-ZDUSSCGKSA-N	258.336	4.918	70	10	CJIE	
C[C@@H](c1cccc(O)c1)N1CCC[C@@H](C(C)(C)C)CC1	217884782	RJSCUAYHJRYQQW-GOEBONIOSA-N	275.436	4.601	70	10	CJIE	
CC[C@H](N)[C@H](S[C@H](C)CC)c1ccc(Cl)cc1	218588069	MOVRMQOYBFIRDC-DDTOSNHZSA-N	271.857	4.650	70	10	CJIE	
Cc1cc([C@@H](O)c2cccc(CC(C)C)c2)ccc1Cl	159861723	NRXSOQCFQUKEOP-SFHVURJKSA-N	288.818	4.929	70	10	CJIE	
Cc1ccc(C)c([C@@H](C)NCc2cc(F)cc(Cl)c2)c1	160873771	BZUPARNAEQIUDO-CYBMUJFWSA-N	291.797	4.947	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)Cc1cccc(Cl)c1	161356040	HCAUCSXPZJCRTI-QGZVFWFLSA-N	277.839	4.751	70	10	CJIE	
Clc1ccc([C@H](NCCCC2CC2)c2ccco2)s1	161403986	VVKZGUCFVVAZIA-OAHLLOKOSA-N	295.835	4.864	70	10	CJIE	
Cc1cccc(CN[C@H]2C[C@@H](C)CC[C@H]2C(C)C)c1C	217520576	SQZRMIMILHPTFH-JVPBZIDWSA-N	273.464	4.854	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1N[C@@H](C)C1CCCC1	217524978	XGXBAJXNGAUFCU-OTRWWLKZSA-N	251.458	4.616	70	10	CJIE	
Fc1ccc([C@@H]2C[C@H]2[B-](F)(F)F)cc1C(F)(F)F	1908066257	FHHCWKLMDSNCRB-POYBYMJQSA-N	270.964	4.549	70	10	CJIE	
CCSCC[C@H](C)N[C@H]1CCCC[C@@H]1c1ccccc1	160053565	YSIYCPVTNLYEAX-JQHSSLGASA-N	291.504	4.834	70	10	CJIE	
CC[C@H](Nc1ccc(F)c(OC)c1)c1ccc(C)cc1	160095617	QOJZDCRYIXWANO-INIZCTEOSA-N	273.351	4.706	70	10	CJIE	
CCC[C@](C)(CNC(C)(C)C)C[C@@H]1CCC(C)(C)O1	160902519	TVSSGJWAKBWTEI-YOEHRIQHSA-N	269.473	4.529	70	10	CJIE	
CCCN[C@@H](c1ccco1)c1cc2ccc(F)cc2s1	161148387	MRJFYKFIKGNSPV-INIZCTEOSA-N	289.375	4.722	70	10	CJIE	
CCCN[C@H](C)c1ccc2ccccc2c1OCCCF	161299694	RNEHEQAWIWGWOF-CQSZACIVSA-N	289.394	4.639	70	10	CJIE	
CC(C)c1c(CN)oc2c1cc(Cl)c1ccccc12	161435836	LZHSFULEONLNST-UHFFFAOYSA-N	273.763	4.822	70	10	CJIE	
N[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1Cc1ccc(Cl)cc1	217766354	FSUFSBKBPSPYCK-JENIJYKNSA-N	299.845	4.794	70	10	CJIE	
C[C@@H]1C[C@@H](OCCN[C@H](C)c2cccs2)CC(C)(C)C1	217912233	XRZYPPHBSHPOGV-RBSFLKMASA-N	295.492	4.630	70	10	CJIE	
Cc1ccc(C2CC(N[C@H]3CCC[C@H](C)[C@H]3C)C2)cc1	218065122	JWBHGXZWRZDVHU-YHGYTCJYSA-N	271.448	4.655	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1cccnc1Cl	218126837	MKDZNPSRHMMUIE-OBJOEFQTSA-N	266.816	4.608	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](Cc2cc(C)ccc2C)C1	218759326	COURNTYTASGDOF-ZIFCJYIRSA-N	273.464	4.637	70	10	CJIE	
CC(C)=C(COc1ccc(C(C)C)cc1)[B-](F)(F)F	2317859347	OVTLNGMUUDPKMJ-UHFFFAOYSA-N	271.111	4.912	70	10	CJIE	
C[C@@]1([B-](F)(F)F)CCN(CCCCCCC2CC2)C1	2319728279	WUYAJJPBKKTMFL-CQSZACIVSA-N	276.175	4.660	70	10	CJIE	
CO[C@@]1(C(=O)c2ccc(C3CCC3)cc2)CCC[C@@H](C)C1	161028403	DBQGIERRXRSRDX-KUHUBIRLSA-N	286.415	4.732	70	10	CJIE	
CCc1ccc(C[C@@H](N)C2(CC(C)C)CCCC2)s1	161131555	HLVPAFFCPRVVQX-MRXNPFEDSA-N	279.493	4.787	70	10	CJIE	
Cc1ccc(N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1F	218072795	QOLOXDMHWGASGD-YLQAJVPDSA-N	261.384	4.761	70	10	CJIE	
Cc1nn(C(C)C)c(C)c1N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218113459	QHJJRIHPSHOJTK-IIDMSEBBSA-N	289.467	4.708	70	10	CJIE	
CCCN[C@H](Cc1cc(F)ccc1C)[C@H]1CCC[C@@H](C)C1	218309603	MKSJYYJJYHWDDY-SIXWZSSISA-N	291.454	4.871	70	10	CJIE	
CCCCCC[C@H](C)O[C@@H](CC)[C@@H](O)c1ccccc1	218551727	RIOLCAONFIOZJW-SZMVWBNQSA-N	278.436	4.874	70	10	CJIE	
CCC(F)(F)CCSCC(=C(C)C)[B-](F)(F)F	1901704619	YPCXXUIFCGWISI-UHFFFAOYSA-N	275.115	4.878	70	10	CJIE	
CC(C)=C(CN(C)CC1CCC2(CC1)CC2)[B-](F)(F)F	2340330201	BWTZADLWZRIIGJ-UHFFFAOYSA-N	288.186	4.612	70	10	CJIE	
c1ccc(SCC[C@@H](CNC2CC2)C2CCCC2)cc1	159988355	ZIGGKYUOIRTHAZ-INIZCTEOSA-N	289.488	4.727	70	10	CJIE	
CC(C)C[C@@H](Nc1cccc(N(C)C)c1)c1ccccc1	161121376	RRLBZAMNXIEQHM-LJQANCHMSA-N	282.431	4.952	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1cc(C)cc(F)c1	161375327	XOVIDZMOLOTFFH-KRWDZBQOSA-N	261.384	4.675	70	10	CJIE	
Cc1cc(Cl)nc(Nc2ccc(Br)cc2)c1	217257766	NQNSEXKLNPFFPV-UHFFFAOYSA-N	297.583	4.550	70	10	CJIE	
CCCC[C@H](CC)CC(=O)[C@]1(N(C)C)CCC[C@@H](C)C1	217469785	QPKOWDBIWMPQFV-RYRKJORJSA-N	281.484	4.673	70	10	CJIE	
CC[C@H](C)[C@@H](C)N[C@H](c1ccccc1)c1cccs1	217965434	LIZDEYQCQNEYCB-JJRVBVJISA-N	273.445	4.862	70	10	CJIE	
CCCN[C@@H](Cc1ccc(F)cc1F)[C@@H]1CCC[C@@H](C)C1	218033595	NHUBCXXNUCKDGL-SIIHOXLZSA-N	295.417	4.702	70	10	CJIE	
CCC[C@H](Nc1ccc(F)c(OC)c1)c1ccccc1	159982667	YNIOXYNTKUTHIZ-INIZCTEOSA-N	273.351	4.788	70	10	CJIE	
Cc1ccc([C@H]2CNc3ccc(Cl)cc3O2)cc1C	160582084	GUBAWCTVJPRDHE-MRXNPFEDSA-N	273.763	4.502	70	10	CJIE	
CC(C)[C@@H]1CCCC[C@H]1NCc1cc(Cl)ccc1F	160874605	WEZCIDOXQXMBAB-GOEBONIOSA-N	283.818	4.784	70	10	CJIE	
COC1(C(=O)c2cccc(CC(C)C)c2)CCC(C)CC1	160936468	ZPQOYYQVPNUNEQ-UHFFFAOYSA-N	288.431	4.663	70	10	CJIE	
CCCOc1ccc2oc(CNC(C)C)c(CCC)c2c1	161322937	XIJMLIKDOHUUHB-UHFFFAOYSA-N	289.419	4.672	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)Cc1ccc(Cl)cc1	161355899	ZYIZQJUVIQQBKH-KRWDZBQOSA-N	277.839	4.751	70	10	CJIE	
CC(C)CNCC1(C2=CCCCC2)CC(C(C)C)C1	161467052	IMGDKSRNDXNTIC-UHFFFAOYSA-N	263.469	4.785	70	10	CJIE	
CC[C@H]1CC[C@H](NC)[C@@H](Cc2cccc(C(F)(F)F)c2)C1	217655270	UPNLIFWJBXOTAT-BJJXKVORSA-N	299.380	4.662	70	10	CJIE	
CC[C@H]1CC[C@@H](CN)[C@@H](C[C@@H]2CCCc3ccccc32)C1	218704872	QPFXHMAPGIVCJW-DSLXNQLJSA-N	285.475	4.898	70	10	CJIE	
CCCCC[C@H](NCCC)c1ccc(F)c(F)c1F	159518814	SSZVHGCJYRSYFJ-ZDUSSCGKSA-N	273.342	4.725	70	10	CJIE	
CCCCOCCCN[C@H]1CCCC[C@@H]1c1ccccc1	160249383	WQCIGSLRDBTJQT-MOPGFXCFSA-N	289.463	4.509	70	10	CJIE	
CN[C@H](c1ccc(C)cc1)c1c(C)ccc2ccccc12	160888359	WODBZZDWSDMOCG-HXUWFJFHSA-N	275.395	4.765	70	10	CJIE	
Cc1ccc([C@H](C)Nc2cccc(N(C)C)c2)c(C)c1	161090747	OWAJZOMTHLOARP-HNNXBMFYSA-N	268.404	4.543	70	10	CJIE	
Cc1ccc(C)c2c(CC(C)C)c(CNCC(C)C)oc12	161235428	MKOKXUQSTGSHAN-UHFFFAOYSA-N	287.447	4.994	70	10	CJIE	
CCCc1c(CNC(C)C)oc2c(Cl)ccc(C)c12	161419608	ITICPBFEVWYYMX-UHFFFAOYSA-N	279.811	4.845	70	10	CJIE	
CCCCCC(CCCCC)NCCN(CC)CCC	217729108	VXQNLWSWVICAFL-UHFFFAOYSA-N	284.532	4.837	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@H](N)[C@@H](Cc2cccc(Cl)c2)C1	217747563	ASFCMDQKTOKWKH-DZKIICNBSA-N	279.855	4.672	70	10	CJIE	
COc1ccc([C@@H](NC[C@H]2CCCC[C@@H]2C)C2CC2)cc1	218155692	GBBLCGJHCHJYAK-YJLNNSPDSA-N	287.447	4.562	70	10	CJIE	
CC(C)c1ccc(C[C@H]2C[C@@H](C(C)C)CC[C@H]2O)cc1	218316611	ZTJVFEBVTFPCSW-GBESFXJTSA-N	274.448	4.786	70	10	CJIE	
CCCNC[C@@H](O[C@H]1CCC[C@@H](C)C1)c1cccc(C)c1	218760032	PKFJZFJVGRYHTD-NZSAHSFTSA-N	289.463	4.631	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1OCCCCC[C@@H]1C[C@@H]1C	2284857028	CNWYASGYRUWAKQ-GXTWGEPZSA-N	299.165	4.645	70	10	CJIE	
CC(C)=C(CN1CCCC2(CCCC2)CC1)[B-](F)(F)F	2340149244	DMPBIZSWTWZWCB-UHFFFAOYSA-N	288.186	4.756	70	10	CJIE	
c1ccc2c([C@@H]3CCNC[C@@H]3C3CCCC3)cccc2c1	160121672	XAMYMRMPDRBKMM-VQTJNVASSA-N	279.427	4.723	70	10	CJIE	
CCc1ccc([C@H](NC)C2C3CC4CC(C3)CC2C4)cc1	160133298	CBWDEWJQTXCQIY-VMALJAOGSA-N	283.459	4.582	70	10	CJIE	
Clc1ccc2[nH]c(C3C4CC5CC(C4)CC3C5)nc2c1	160186803	BQIGQEOPFLDJCC-UHFFFAOYSA-N	286.806	4.756	70	10	CJIE	
CCCN[C@H](Cc1ccc(Cl)s1)C1C(C)(C)C1(C)C	160933292	AIRVLKTTWJXZOR-GFCCVEGCSA-N	299.911	4.994	70	10	CJIE	
O=C(c1ccc2c(c1)CCC2)c1cc2ccc(F)cc2s1	161126019	QRTGCJFQEAOZEW-UHFFFAOYSA-N	296.366	4.760	70	10	CJIE	
CCCN[C@H](Cc1ccc(CC)s1)C1C(C)(C)C1(C)C	161200896	YKGLTCDXCGZEDK-OAHLLOKOSA-N	293.520	4.903	70	10	CJIE	
C[C@H](NCCCC1CC1)c1ccccc1C(F)(F)F	161404713	QTWKNEQIMUZGIC-NSHDSACASA-N	271.326	4.546	70	10	CJIE	
CC(C)CNCC1(C2=CCCCC2)CCC(C)CC1	161471330	GWXAKJQDPOMINP-UHFFFAOYSA-N	263.469	4.929	70	10	CJIE	
CCC[C@@H]1CC[C@H](NCC)[C@@H](Cc2ccc(C)cc2)C1	217728221	YLTUVBKNFWCGMJ-QRQLOZEOSA-N	273.464	4.732	70	10	CJIE	
FC(F)(F)c1cc(Cl)ccc1N[C@H]1C[C@@H]2CC=C[C@H]21	217828354	HNIZDSNPVGPWKT-PLMOITTCSA-N	287.712	4.735	70	10	CJIE	
C[C@H]1CCC[C@H]([C@@H](N)c2ccc(Cl)c(Cl)c2)C1	217958588	KZMXAAXVYYGAKW-PKFCDNJMSA-N	272.219	4.820	70	10	CJIE	
COc1cc(F)ccc1N[C@H]1C[C@@H](C)CC[C@@H]1C(C)C	218149272	ZAVDKKPGKPGJTL-BJJXKVORSA-N	279.399	4.707	70	10	CJIE	
C[C@@H]1C[C@@H](NC[C@@H]2CCCC[C@@H]2C)CC(C)(C)C1	218165679	LWGIYWHRDGGNAB-FXUDXRNXSA-N	251.458	4.617	70	10	CJIE	
c1ccc([C@@H]2C[C@@H]2N[C@H]2CCCCc3ccccc32)cc1	218171723	XAVFUWMDSWFKMP-UFYCRDLUSA-N	277.411	4.600	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@@H](O)[C@@H](CCCOc2ccccc2)C1	218306058	BMLLSJVWXDKDAF-XYJFISCASA-N	290.447	4.669	70	10	CJIE	
Cc1c(Cl)cccc1C12CC([B-](F)(F)F)(C1)C2	1887484495	PLESUJYOZFJCRJ-UHFFFAOYSA-N	259.487	4.672	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1O[C@H]1CCCC(C)(C)C1	2197464450	KNNHENSJSLXRSE-AWEZNQCLSA-N	299.165	4.651	70	10	CJIE	
CCCC[C@@H](CC)CNCCc1cccc2cccnc12	159409440	CWIJGPDATAWBFE-MRXNPFEDSA-N	284.447	4.583	70	10	CJIE	
CCc1ccc([C@H](NC)C2C3CC4CC(C3)CC2C4)s1	160129970	PXVKAPIVVPNUKK-MKFPHEQSSA-N	289.488	4.643	70	10	CJIE	
Cc1cc(C(C)(C)C)cc(C)c1Cc1nc(N)c(C)s1	160653303	WDCBIGRAKRXQLO-UHFFFAOYSA-N	288.460	4.539	70	10	CJIE	
CCOC1(C(=O)Cc2ccccc2Cl)CCCCCC1	161349017	IBGUGYXQHZXGCV-UHFFFAOYSA-N	294.822	4.581	70	10	CJIE	
CCCN[C@@H]1CC[C@H](CCC)C[C@@H]1Cc1cccs1	217736585	MBFXHDIJAOQCQS-ZMSDIMECSA-N	279.493	4.875	70	10	CJIE	
CCCOc1ccc([C@@H](NCC)[C@@H]2CCC[C@@H](C)C2)cc1	217995375	IEYQUVBKRDLCRO-SZVBFZGTSA-N	289.463	4.952	70	10	CJIE	
CO[C@@H]1CCCC[C@@H]1N[C@H](c1cccs1)C1CCCC1	218260796	FURHSULYBRKTAY-UXLLHSPISA-N	293.476	4.527	70	10	CJIE	
C[C@H]1CC[C@@H](CN)[C@@H](Cc2ccc(Cl)cc2Cl)C1	218593143	SBPKYHNBWOGZMR-WCFLWFBJSA-N	286.246	4.547	70	10	CJIE	
Fc1ccc(Cl)c(/C=C/[B-](F)(F)F)c1Cl	306807804	NFQWXNBBZAVHFE-ONEGZZNKSA-N	257.830	4.532	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@@H]1c1c(Cl)cccc1Br	1885274443	LPPGPFBCVJJJEN-WDSKDSINSA-N	298.318	4.807	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@H]1c1cc(Cl)ccc1Br	1885275064	RIUNGLDZEONZMZ-POYBYMJQSA-N	298.318	4.807	70	10	CJIE	
C=C(CCN(C)C1CCC(CCC)CC1)[B-](F)(F)F	2049449831	UYBSTMXEHOCTAF-UHFFFAOYSA-N	276.175	4.610	70	10	CJIE	
CC(C)(C)C1CCC(N2CCC[C@H]([B-](F)(F)F)C2)CC1	2133915903	YLFFCAMPOPTGJI-MOKVOYLWSA-N	290.202	4.905	70	10	CJIE	
F[B-](F)(F)c1ccc(COCCCCCCC2CC2)cc1	2234152885	HCOJKZGOOLSFOI-UHFFFAOYSA-N	299.165	4.618	70	10	CJIE	
Cc1cc(C)c(C(=O)C2C3CC4CC(C3)CC2C4)c(C)c1	160110964	KNLANQBWPRZUEP-UHFFFAOYSA-N	282.427	4.867	70	10	CJIE	
Cc1ccccc1[C@H](N)c1c(C)ccc2ccccc12	160872286	ZEMITPFGLUYYFQ-IBGZPJMESA-N	261.368	4.505	70	10	CJIE	
CN[C@H](Cc1ccccc1C)c1cc2ccc(F)cc2s1	161175943	LSKGJUJPIGUWCJ-MRXNPFEDSA-N	299.414	4.852	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1c(F)cccc1F	161368076	FNIBRGFKFZAFMB-HNNXBMFYSA-N	265.347	4.506	70	10	CJIE	
CNCC1(C2=CCCCC2)CC2(CCCCCC2)C1	161445276	FHDWTDWHBVIZMT-UHFFFAOYSA-N	261.453	4.827	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1N[C@@H](C)c1ccc(O)cc1	217883005	XWHQBLAUHJGKQH-USJZOSNVSA-N	275.436	4.504	70	10	CJIE	
CC(C)CCCCCCNc1nc2ccccc2[nH]1	218485967	WIWUXAWJYGMTKR-UHFFFAOYSA-N	259.397	4.581	70	10	CJIE	
CC(C)c1ccccc1CN1CCC[C@@H]([B-](F)(F)F)C1	2133914871	UWACTIGOBOEMHV-CQSZACIVSA-N	284.154	4.623	70	10	CJIE	
CCC1CCC(COc2ccc(C)cc2[B-](F)(F)F)CC1	2193127156	CHSNRLSTUVAHJT-UHFFFAOYSA-N	299.165	4.645	70	10	CJIE	
CCC1CCC(CN[C@H]2CCc3ccc(C)cc32)CC1	160813335	KHCVFMDURWFWLI-RJYAGPCLSA-N	271.448	4.788	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](N)C[C@@H]1C[C@@H]2CC[C@@H]1C2	160874478	PRVRJWKEAMLSQB-VYCZESIESA-N	279.427	4.974	70	10	CJIE	
C[C@@H]1CCC[C@H]([C@@H](N)c2cccc3ccccc23)C1	217944621	XGWDPAKLNPWNFC-QIIPPGSGSA-N	253.389	4.666	70	10	CJIE	
CCN[C@H](c1ccc(F)c(F)c1F)[C@@H]1CCC[C@@H](C)C1	217982274	RKXQJDKJTLZCDO-UVWXRNBGSA-N	285.353	4.581	70	10	CJIE	
Cc1ccc([C@H](O)CO[C@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1	218548695	FYNLEYXJECIYSQ-KANFNMMFSA-N	290.447	4.506	70	10	CJIE	
C[C@@H]1CC[C@@H](CN)[C@@H](C[C@@H]2CCCc3ccccc32)C1	218632550	KBFCISBMIFRYAY-LAVFITLUSA-N	271.448	4.508	70	10	CJIE	
CN[C@@H]1CCCCCCCCCC[C@H]1N(C)[C@@H](C)C(C)C	218638541	RADFICIOXRBZPJ-IPMKNSEASA-N	296.543	4.834	70	10	CJIE	
CCN[C@H]1CC[C@@H](CC)C[C@@H]1Oc1ccc(C(C)C)cc1	218766071	OMQPQDZSBSPDQJ-MNEFBYGVSA-N	289.463	4.746	70	10	CJIE	
Cc1cc(C(=O)Nc2cccc(C)c2C)c(Cl)cc1F	161140372	LHYYRYSBPSYQPU-UHFFFAOYSA-N	291.753	4.657	70	10	CJIE	
CCOC1(C(=O)c2cccc(C)c2)CCC(C)(C)CC1	161262998	WQJKFHSXKSGHFJ-UHFFFAOYSA-N	274.404	4.553	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@H](S[C@@H]2CCC[C@@H](C)C2)C1	217855599	CZUURBQDFDWYEX-WRQOLXDDSA-N	283.525	4.842	70	10	CJIE	
Cc1nc2ccc(N[C@@H]3C[C@@H]4C[C@@H]3[C@@H]3CCC[C@@H]43)cc2s1	218058869	WBHBZWARSGIXCM-LAWJPMAJSA-N	298.455	4.841	70	10	CJIE	
C=C(CSCC1(C)CC(C(F)(F)F)C1)[B-](F)(F)F	2250093102	MBSDLJFCGJQNTI-UHFFFAOYSA-N	291.089	4.641	70	10	CJIE	
C=C(COCc1ccc(Cl)c(Cl)c1C)[B-](F)(F)F	2301386120	ZORDCKGHUAAYRD-UHFFFAOYSA-N	297.920	4.761	70	10	CJIE	
CCCCC[C@@H](NCCC)c1cccc(OC(F)F)c1	159626619	JBGAQTZHUOIUGR-OAHLLOKOSA-N	285.378	4.909	70	10	CJIE	
CCCc1cccc([C@H](O)c2cc3c(s2)CCCC3)c1	159817498	UKJQKIXINPKJMB-SFHVURJKSA-N	286.440	4.661	70	10	CJIE	
CCCCC[C@H](NCC)[C@H](OCC)C1CCCCC1	159916610	KLGBNJFFPUNXMY-DLBZAZTESA-N	269.473	4.530	70	10	CJIE	
CO[C@@]1(C(=O)c2ccc(C(C)(C)C)cc2)CCC[C@H](C)C1	161069444	PNHBBNKJDGSWFP-LIRRHRJNSA-N	288.431	4.762	70	10	CJIE	
Cc1cccc(C[C@@H](N)c2cc3ccc(F)cc3s2)c1	161177467	CFYGGLKEDCYNBH-OAHLLOKOSA-N	285.387	4.591	70	10	CJIE	
CCNCc1oc2ccc(C(C)C)cc2c1C(C)(C)C	161363406	KGOHBQKAGALEFA-UHFFFAOYSA-N	273.420	4.963	70	10	CJIE	
CC[C@@H](C)[C@@H](C)N[C@H](c1ccc(F)cc1)C(C)C	218092163	XMTFZVKABNFBLZ-IOASZLSFSA-N	251.389	4.547	70	10	CJIE	
CCCN[C@H]1CC[C@@H](CCC)C[C@@H]1Oc1ccc(C)cc1	218779098	MJTRFAINPXVYCL-NEWSRXKRSA-N	289.463	4.711	70	10	CJIE	
CC1(C)CCC[C@H](CN2CCC([B-](F)(F)F)CC2)C1	2223251337	DDLLFGSECQTGSN-LBPRGKRZSA-N	276.175	4.516	70	10	CJIE	
F[B-](F)(F)C1CCN(Cc2cc3ccccc3s2)CC1	2231061812	LKCFHFQHECNJQN-UHFFFAOYSA-N	298.162	4.715	70	10	CJIE	
CNc1cc(Oc2ccc(C(C)(C)C)cc2C)ccn1	159376986	YAXMTFDKUNCDQY-UHFFFAOYSA-N	270.376	4.522	70	10	CJIE	
CCCNCc1sc(-c2cccs2)nc1CC(C)C	159834906	DZMXRNLFRWJRQT-UHFFFAOYSA-N	294.489	4.570	70	10	CJIE	
COc1cc(N[C@@H](C)c2ccc(F)c(Cl)c2)ccc1F	160025153	DVVKXKRTSWPEIT-VIFPVBQESA-N	297.732	4.800	70	10	CJIE	
C[C@@H](C[C@H](N)Cc1ccc(F)cc1Cl)CC(C)(C)C	160532188	AACOOUXDWXEDAK-FZMZJTMJSA-N	285.834	4.811	70	10	CJIE	
C[C@H](CCNCc1ccc(Cl)cc1F)c1ccccc1	160819032	VTCOCEOUSBIZKM-CYBMUJFWSA-N	291.797	4.763	70	10	CJIE	
CN[C@H](c1cscc1C)c1c(C)ccc2ccccc12	160890171	DDTRSOYZCKFVJY-GOSISDBHSA-N	281.424	4.827	70	10	CJIE	
CO[C@@]1(C(=O)c2cccc(CC(C)C)c2)CCC[C@@H](C)C1	161023240	FWKHBDWUMHYVEC-BEFAXECRSA-N	288.431	4.663	70	10	CJIE	
Cc1cc2oc(CNCC(C)C)c(C3CC3)c2cc1C	161243198	DDBPLFAALAYDAQ-UHFFFAOYSA-N	271.404	4.673	70	10	CJIE	
CC(C)c1c(CNC2CC2)oc2cc3c(cc12)CCCC3	161451647	MSMYTLJTEIXENY-UHFFFAOYSA-N	283.415	4.687	70	10	CJIE	
CCc1cccc(C)c1NC(=O)N/C=C/c1cccc(C)c1	217888983	MVLGLQMGFKUEQO-VAWYXSNFSA-N	294.398	4.658	70	10	CJIE	
FC(F)(F)[C@@H]1CCCC[C@H]1N[C@@H]1CCCc2ccccc21	218049618	QIZSSEDULITZQA-BZUAXINKSA-N	297.364	4.775	70	10	CJIE	
C[C@@H]1CC[C@@H](N)[C@@H](c2ccc(-c3ccccc3)cc2)C1	218393723	GSPPOJJQIPNXAM-NIKGAXFTSA-N	265.400	4.585	70	10	CJIE	
CCC[C@H]1CC[C@@H](CN)[C@@H](Cc2ccc(CC)s2)C1	218758630	BBURFKDYMPKBSQ-SOUVJXGZSA-N	279.493	4.644	70	10	CJIE	
C=CCCCCCCOc1ccc([B-](F)(F)F)cc1CC	2206896707	HIHWCZYFDDDQDH-UHFFFAOYSA-N	299.165	4.819	70	10	CJIE	
CCCCCSc1ccnc2ccc([B-](F)(F)F)cc12	2269879966	NMYMGCXPQVGZEJ-UHFFFAOYSA-N	298.162	4.572	70	10	CJIE	
C[C@H]1CCC[C@@H](CCNCc2cc(Cl)ccc2F)C1	160829197	MPJBIEMRKRKCNH-STQMWFEESA-N	283.818	4.785	70	10	CJIE	
COC1(C(=O)c2ccc3ccccc3c2)CCC(C)CC1	160933439	USJMWQJFAGHVKU-UHFFFAOYSA-N	282.383	4.618	70	10	CJIE	
C[C@@H](CNC1CCCCCCCCCCC1)N1CCCC1	161001419	KFFHFAGKUROVDU-SFHVURJKSA-N	294.527	4.734	70	10	CJIE	
CNCc1oc2ccc(C(C)(C)C)cc2c1CC(C)C	161366368	WJEKRXHOFWIPAZ-UHFFFAOYSA-N	273.420	4.648	70	10	CJIE	
CCC[C@H]1CC[C@H](O)[C@@H](CCCc2ccccc2)C1	218295885	LXHSCNMYWMXIER-BZSNNMDCSA-N	260.421	4.587	70	10	CJIE	
CCC(C)(C)[C@@H]1CC[C@@H](O)[C@H](O[C@@H]2CCC[C@@H](C)C2)C1	218560171	FGZKAGNMCRPWIY-WRQOLXDDSA-N	282.468	4.548	70	10	CJIE	
FC(F)(F)[C@@H]1CCCC[C@H]1NCc1coc2ccccc12	161083108	JHRFUDODMXRQQF-ZIAGYGMSSA-N	297.320	4.644	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1cccc(C)c1C	161322710	OZOCNXNWOSXTIP-GOSISDBHSA-N	257.421	4.845	70	10	CJIE	
CC1(C)CC[C@@H](NCCCC2CC2)c2ccccc21	161406820	KZSQKPIPPACBSR-QGZVFWFLSA-N	257.421	4.579	70	10	CJIE	
F[B-](F)(F)COc1ccc(Cl)cc1Cc1ccccc1	203436785	BHQIWQZOCNSKDG-UHFFFAOYSA-N	299.508	4.696	70	10	CJIE	
CC[C@H](C)[C@H](c1ccccc1)[C@@H](NN)C1CCCCCC1	217637282	IOZOXQAWOIRIPR-IPELMVKDSA-N	288.479	4.619	70	10	CJIE	
FC(F)(F)c1ccc(N[C@@H]2C[C@@H]3CC=C[C@H]32)c(Cl)c1	218167886	BCRATOBEMMKKIG-IYYTYJHQSA-N	287.712	4.735	70	10	CJIE	
CCC[C@H]1CC[C@H](CN)[C@@H](Cc2ccc3c(c2)CCC3)C1	218733448	CWGKJYOWVBEVMK-CWFSZBLJSA-N	285.475	4.509	70	10	CJIE	
Cc1cc([C@H]2C[C@@H]2[B-](F)(F)F)sc1Br	1884017851	NEQFXWOGZGENNJ-WDSKDSINSA-N	283.929	4.524	70	10	CJIE	
CCc1ccc(C(=O)c2cc3cccc(C)c3o2)s1	159888007	UUKABPQMGFRAGK-UHFFFAOYSA-N	270.353	4.596	70	10	CJIE	
Cc1cc(C)c(C[C@@H](CNC(C)C)C2CCCC2)c(C)c1	159962183	UJPNTXSLDHFPQC-IBGZPJMESA-N	287.491	4.959	70	10	CJIE	
CNc1nc(-c2cccc(C)c2Cl)nc2ccc(C)cc12	160475941	UPVPXZZQFCLUDG-UHFFFAOYSA-N	297.789	4.609	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)C)C[C@@H]1Cc1c(C)cc(C)cc1C	217785024	MFFKBSIEVRUKPR-QWFCFKBJSA-N	287.491	4.815	70	10	CJIE	
CC(C)Oc1ncccc1N[C@H]1C[C@@H](C)CC[C@@H]1C(C)C	218136790	MRVYZTDPYAXDQT-UXLLHSPISA-N	290.451	4.742	70	10	CJIE	
CC[C@@H]1CC[C@@H](CN)[C@@H](CCSc2ccccc2)C1	218655999	UUGREPCFMUYVIV-PMPSAXMXSA-N	277.477	4.570	70	10	CJIE	
Oc1c(Cl)cc(Cl)c(Cl)c1/C=C/[B-](F)(F)F	309628108	FRORESFTAQYHPC-OWOJBTEDSA-N	290.284	4.752	70	10	CJIE	
CC(C)=C(CN(Cc1ccccc1)C1CCC1)[B-](F)(F)F	1888980182	FWYWLQDXEQSYPL-UHFFFAOYSA-N	296.165	4.764	70	10	CJIE	
C[C@@]12CC3CC(C[C@H](O)C4CCC4)(C1)C[C@](C)(C3)C2	159765570	KUNDFGIBQWNCLK-RRLSAGSHSA-N	262.437	4.534	70	10	CJIE	
CCc1ccc([C@H](CC)Nc2ccc(F)c(OC)c2)cc1	159928375	WXEMXHUMWOXENJ-KRWDZBQOSA-N	287.378	4.960	70	10	CJIE	
CCCN[C@@H](Cc1ccc(F)cc1Cl)C1(C)CCCC1	160601435	BYNVQYRYDTVCKB-INIZCTEOSA-N	297.845	4.970	70	10	CJIE	
CCCNCc1ccc(Oc2ccc(F)cc2C)c(C)c1	160609430	TYWNFZJXJRNUBJ-UHFFFAOYSA-N	287.378	4.734	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)c1cccc(F)c1F	160814213	BGODZQAMJBWFEK-UHFFFAOYSA-N	282.289	4.657	70	10	CJIE	
Cc1cc(C)cc([C@@H](N)c2c(C)ccc3ccccc23)c1	160871738	SLQJGFCBOFWVOW-HXUWFJFHSA-N	275.395	4.813	70	10	CJIE	
CCOC1(C(=O)c2cc(C)cc(C)c2)CCC(C)(C)CC1	161254828	UTONETXEYMXDQL-UHFFFAOYSA-N	288.431	4.862	70	10	CJIE	
CCCN[C@H](C1CCC(CC)CC1)[C@@H]1CCCCS1	161457875	QWZVTHJIORJJGO-SJJHQCBESA-N	283.525	4.857	70	10	CJIE	
c1csc(C[C@H](NCCCC2CC2)c2cccs2)c1	161497882	XQQZCZOFEOBXDL-HNNXBMFYSA-N	291.485	4.873	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@@H](N)[C@@H](Cc2ccccc2Cl)C1	217748045	FVLXYHCBDUOQLV-OFQRWUPVSA-N	279.855	4.672	70	10	CJIE	
CN[C@H]1CC[C@H](C(C)(C)C)C[C@@H]1Cc1ccc(Cl)s1	217761496	QJYAGQSEBOGPEK-DYEKYZERSA-N	299.911	4.994	70	10	CJIE	
C=C(CCO[C@@H]1CCC[C@H]2CCCC[C@H]21)[B-](F)(F)F	2081123982	WQGINLDEDVTZBZ-MGPQQGTHSA-N	275.143	4.695	70	10	CJIE	
COc1ccc(Cl)c(N[C@@H]2CCc3ccc(C)cc32)c1	160818886	UWYKRURZVUMQID-MRXNPFEDSA-N	287.790	4.756	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](N)Cc1ccccc1F	160848599	KXCMCAGKTJMHKN-GOSISDBHSA-N	279.358	4.530	70	10	CJIE	
CN[C@@H](c1cccc(C)c1)c1c(C)ccc2ccccc12	160900533	FPFHOZWMUPUAEA-FQEVSTJZSA-N	275.395	4.765	70	10	CJIE	
Cc1cc(C)c([C@H](C)Nc2cccc(N(C)C)c2)c(C)c1	161121600	KZYUBUCCTOJMRB-INIZCTEOSA-N	282.431	4.851	70	10	CJIE	
CC[C@H]1CC[C@H](N)[C@@H](Cc2ccc(Cl)cc2Cl)C1	217637341	UKVYGVIUONBLNJ-NVBFEUDRSA-N	286.246	4.690	70	10	CJIE	
CN[C@H]1CC(C)(C)Cc2nc([C@@H]3CCC[C@@H](C)C3)sc21	218077237	LUQQETWPSPDMSL-UPJWGTAASA-N	292.492	4.670	70	10	CJIE	
CCCCCN(C(C)C)[C@H](CC)[C@@H](NC)c1ccccc1	218690896	JTCBILJXDOTIIV-MOPGFXCFSA-N	290.495	4.626	70	10	CJIE	
Cc1c(Br)sc([C@H]2C[C@H]2[B-](F)(F)F)c1C	2241394407	YVGRTYLEVNBUSC-NKWVEPMBSA-N	297.956	4.832	70	10	CJIE	
C=C(C[C@H](Br)C(C)C)c1ccccc1	78202486	MMAJOBDSYQXYTH-ZDUSSCGKSA-N	253.183	4.509	70	10	CJIE	
CC[C@@H]1CC[C@H](c2nc(C3CC3)c(CNC3CC3)s2)C1	159590885	KNSRPUPKTNSNQQ-YPMHNXCESA-N	290.476	4.566	70	10	CJIE	
CC(C)CNC[C@H](Cc1ccc(F)cc1F)C1CCCC1	160010099	IFIFHBPRKZRQLS-INIZCTEOSA-N	295.417	4.559	70	10	CJIE	
O[C@@H]([C@H]1C[C@H]1c1ccccc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	160032812	KJPNHFOXVBTDAJ-OYPWXNEASA-N	284.443	4.758	70	10	CJIE	
CC[C@@H](c1ccccc1)[C@@H](O)Cc1ccc(Cl)cc1F	160387873	QXXLEIZQAIAQCW-RDJZCZTQSA-N	292.781	4.576	70	10	CJIE	
CCN[C@H](Cc1ccc(Cl)s1)c1c(C)oc(C)c1C	160826053	VQILLJDQNFJNPG-CYBMUJFWSA-N	297.851	4.813	70	10	CJIE	
Cc1cc(C(=O)c2c(C)ccc3ccccc23)ccc1F	160831700	ZLCQDLZENIPPDT-UHFFFAOYSA-N	278.326	4.827	70	10	CJIE	
N[C@@H](CC1=CCCCC1)C[C@H]1CCCc2ccccc21	161198509	LQAKIZFEQYNDPS-MSOLQXFVSA-N	269.432	4.714	70	10	CJIE	
CCCOc1ccc2oc(CNCC)c(C(C)(C)C)c2c1	161320706	NVCCJMQEIMEXHW-UHFFFAOYSA-N	289.419	4.629	70	10	CJIE	
CCCN[C@@H]([C@@H]1CCCCS1)[C@@H]1CC[C@H](C)[C@H](C)C1	161431258	MUVUGAUUVGGTRI-JZAWBGDQSA-N	283.525	4.713	70	10	CJIE	
C[C@H]1CCCC[C@H]1N[C@H](C)c1ccc(Cl)s1	216627391	PUJYRMJTPRMWSF-HBNTYKKESA-N	257.830	4.631	70	10	CJIE	
CN[C@H]1CC[C@H](C(C)C)C[C@@H]1Cc1ccc(Cl)s1	217794397	LDNMCWOTBOXQNI-SCRDCRAPSA-N	285.884	4.604	70	10	CJIE	
CC[C@@H](C)[C@H](c1ccccc1)[C@@H](NC)C1=CCCC1	217884625	HQDBGIWXXSFKBP-OLMNPRSZSA-N	257.421	4.515	70	10	CJIE	
C[C@H]1CCC[C@@H]([C@@H](O)Cc2ccc(C(C)(C)C)cc2)C1	217916086	RTQFVKXTLSKJHT-LESCRADOSA-N	274.448	4.714	70	10	CJIE	
CC(C)c1ccc(C[C@H](N)[C@H]2CCC[C@@H](C)C2)cc1	217951689	WVEIXFXDKYOYQF-JLSDUUJJSA-N	259.437	4.506	70	10	CJIE	
CC[C@H]1CC[C@@H](CN)[C@@H](Cc2csc3ccccc23)C1	218694660	JEBGCHNMHRXHTQ-SOUVJXGZSA-N	287.472	4.845	70	10	CJIE	
F[B-](F)(F)C1CCN(CC[C@@H]2CCCCC23CC3)CC1	2264940258	LNUCOVHAEUTFIT-ZDUSSCGKSA-N	288.186	4.660	70	10	CJIE	
CC(C)Cc1cccc([C@H](O)c2cccc(F)c2Cl)c1	159854783	ORIAVLQAVLYWIJ-KRWDZBQOSA-N	292.781	4.759	70	10	CJIE	
CCCN[C@H](c1c(C)ccc2ccccc12)C(C)C	160935646	MTUDGJDKOVOJBM-SFHVURJKSA-N	255.405	4.845	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc([C@@H](N)CC(F)(F)F)ccc21	161484602	KMJHHMADFXEAIC-AWEZNQCLSA-N	299.380	4.988	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1N[C@H](c1ccccc1)C1CC1	217517273	HWJZCGSSIKVANX-JCGIZDLHSA-N	257.421	4.696	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](N)[C@@H](Cc2cccc(C(F)(F)F)c2)C1	217778325	ACMRQWVMAZKZEE-OFQRWUPVSA-N	299.380	4.648	70	10	CJIE	
CC[C@H](C)[C@H](c1ccccc1)[C@@H](O)c1ccc(F)cc1F	218127421	XYNGOFMQMQQGDS-RZAIGCCYSA-N	290.353	4.828	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)c1cccc(Cl)c1F	218729697	FTRCOXOXIZYNDR-ZIBATOQPSA-N	269.791	4.695	70	10	CJIE	
CCC[C@H]1CC[C@H](CN)[C@@H](Cc2ccc(CC)s2)C1	218758719	BBURFKDYMPKBSQ-RRFJBIMHSA-N	279.493	4.644	70	10	CJIE	
CCCN[C@H]1CC[C@@H](CCC)C[C@@H]1Oc1cccc(C)c1	218773097	HCZMNSCJCZCFOI-NEWSRXKRSA-N	289.463	4.711	70	10	CJIE	
Fc1cc(C=C[B-](F)(F)F)c(Cl)cc1Cl	1912054199	BBUIIACBGLHKNK-UHFFFAOYSA-N	257.830	4.532	70	10	CJIE	
CCC1([C@H](O)c2cc3cc(F)ccc3o2)CCCC1	159394209	MCCRKOWYERQBQE-OAHLLOKOSA-N	262.324	4.576	70	10	CJIE	
CCN[C@H](Cc1ccc(C(C)(C)C)cc1)C1[C@H]2CCC[C@H]12	161285080	ZRXZHPCJYADAEY-OKZBNKHCSA-N	285.475	4.551	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1cccc(OCC)c1	161353695	RVPJMLYGROTJAW-SFHVURJKSA-N	273.420	4.626	70	10	CJIE	
CCCNCc1oc2c([C@H](C)CC)cccc2c1COC	161380581	KCQMSUPMSXDFJP-CYBMUJFWSA-N	289.419	4.592	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)c1cc(F)ccc1F	161423128	MHTRFSBGVHBZRM-KRWDZBQOSA-N	279.374	4.896	70	10	CJIE	
CC[C@@H](C)c1ccccc1NC(=O)NCc1cccc(C)c1	217314563	QGRRZOQNAIWJNK-OAHLLOKOSA-N	296.414	4.830	70	10	CJIE	
CN[C@H]1CC[C@@H](C(C)C)C[C@@H]1CCCc1ccccc1	217789243	BWGXGIRTUJFBPG-QYZOEREBSA-N	273.464	4.670	70	10	CJIE	
Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@@H]1CCC[C@@H](C)C1	218077422	BQMFILPRULXIMH-XNRPHZJLSA-N	275.436	4.770	70	10	CJIE	
CCCCCC[C@@H](C)O[C@]1(CNC)CCC[C@@H](C)C1	218757039	QOHWGIVXDJKKEA-BRWVUGGUSA-N	269.473	4.530	70	10	CJIE	
C=C(COc1ccc(Cc2ccccc2)cc1)[B-](F)(F)F	312195871	BFQJSEHVIDVYKC-UHFFFAOYSA-N	291.101	4.599	70	10	CJIE	
Cc1c(S)c(C)c(N=[N+]=[N-])c(C)c1C[B-](F)(F)F	1887510889	VXKZKLKGZVMOQY-UHFFFAOYSA-N	274.100	4.771	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1cncc2ccccc12	161363646	LLKWGAASHZHGCK-IBGZPJMESA-N	280.415	4.776	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1ccc2nccnc2c1	218096802	HPLIUQNLZGHMAT-QRTARXTBSA-N	283.419	4.503	70	10	CJIE	
C[C@@H](CCN[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)c1ccccc1	218139154	UZAPHVZDYOVTIO-TXJVSEOTSA-N	285.475	4.985	70	10	CJIE	
CCC[C@@H]1CC[C@@H](O)[C@@H](Cc2ccc(C(C)C)cc2)C1	218293013	VRCRMHGNVOXECD-ATZDWAIDSA-N	274.448	4.930	70	10	CJIE	
CCCCCCCCOc1ccc(F)c([B-](F)(F)F)c1	2116238742	MOOZUOXJLPQAGN-UHFFFAOYSA-N	291.117	4.619	70	10	CJIE	
CCSCC[C@@H](C)NC1CCC(c2ccccc2)CC1	160011693	SALMOKRELZEOMF-FAEJEUNOSA-N	291.504	4.834	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)CC1CCCC1	160816279	KMMWGLLHUUEIBP-UHFFFAOYSA-N	252.357	4.911	70	10	CJIE	
CCN[C@@H](c1cncc(C)c1)C1CCC(C(C)C)CC1	160985967	CRTUAULOCVPOGI-LEOMRAHMSA-N	274.452	4.503	70	10	CJIE	
CCOC1(C(=O)[C@H]2CCC[C@H](C)C2)CCC(C)(C)CC1	161253311	UHMDMXABGAZHHC-GJZGRUSLSA-N	280.452	4.757	70	10	CJIE	
Cc1ccc2sc(Nc3ccc(C)c(N(C)C)c3)nc2c1	161380551	IGVWHXVDNFOLRY-UHFFFAOYSA-N	297.427	4.723	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NCC)[C@@H](CCOCCC(C)C)C1	217716982	LDLGMLITJBOLFA-FGTMMUONSA-N	283.500	4.634	70	10	CJIE	
CC(C)CNCC1([C@@H]2C[C@H]2c2ccccc2)CCCCC1	159411039	HZXRCFKUAARJEG-RBUKOAKNSA-N	285.475	4.986	70	10	CJIE	
CCCNC[C@@H](Cc1ccc(CC)cc1)C1CCCC1	159947974	BQSWWQAXUWRBMK-LJQANCHMSA-N	273.464	4.598	70	10	CJIE	
Cc1cc(C)c(C)c([C@H](O)c2cccc(C)c2Cl)c1C	160416277	BPUKBNBGIYWSHQ-GOSISDBHSA-N	288.818	4.964	70	10	CJIE	
Fc1cc(Cl)ccc1CNC12CC3CC(CC(C3)C1)C2	160632390	OWBSNGVBLMBDEV-UHFFFAOYSA-N	293.813	4.538	70	10	CJIE	
CCc1ccc(C[C@H](NC)c2cccc(F)c2Cl)s1	161098571	XRROJIXGFPWHTA-AWEZNQCLSA-N	297.826	4.606	70	10	CJIE	
C[C@@H]1C[C@H](O[C@H](C)c2cccc(N)c2)CC(C)(C)C1	217351913	GGXXWKFCJKJQFT-IOASZLSFSA-N	261.409	4.561	70	10	CJIE	
CC[C@H](C)c1ccc(OCCOc2ccccc2)cc1	217399209	KCWBUWGUOPUECU-HNNXBMFYSA-N	270.372	4.658	70	10	CJIE	
CCC[C@H]1CC[C@@H](NC)[C@@H](Cc2c(C)cc(C)cc2C)C1	217698950	PKFUPJPZWKRXTO-NLWGTHIKSA-N	287.491	4.959	70	10	CJIE	
Cc1ccc([C@H](C)N[C@@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1C	218013662	RMVBURUNCHBVJR-DAJYORATSA-N	283.459	4.779	70	10	CJIE	
CCCN[C@H](Cc1cccc(F)c1F)[C@@H]1CCC[C@@H](C)C1	218021567	HKGRBSXXGGTWBD-CKEIUWERSA-N	295.417	4.702	70	10	CJIE	
C=C(CCN(C)[C@H](C)c1ccc(Cl)cc1)[B-](F)(F)F	2044982979	ZEDQYFMXYSRXEB-LLVKDONJSA-N	290.545	4.666	70	10	CJIE	
CC(C)=C(CN(C)C(CC1CC1)CC1CC1)[B-](F)(F)F	2340152441	NGKVMHCETXNLEC-UHFFFAOYSA-N	288.186	4.610	70	10	CJIE	
CO[C@]1(C(=O)c2cccc3ccsc23)CCC[C@H](C)C1	161021582	CWLPNRAMOUUXKU-YVEFUNNKSA-N	288.412	4.679	70	10	CJIE	
COC1(C(=O)Cc2ccc(C(C)C)cc2)CCCCCC1	161315449	OOJGSYFBTNZAFE-UHFFFAOYSA-N	288.431	4.661	70	10	CJIE	
CCNCc1oc2ccc(C(C)C)cc2c1C(C)C	161361440	AFGCEFZQKSLTLM-UHFFFAOYSA-N	259.393	4.789	70	10	CJIE	
C[C@@H]1C[C@H]1[C@H](O)c1ccc2c(c1)C(C)(C)CCC2(C)C	161502580	LGUFCHXLZOQFNF-SUYBPPKGSA-N	272.432	4.725	70	10	CJIE	
CC[C@@H](S[C@H]1CCC[C@@H](C)C1)C(=O)c1ccccc1	217877506	OLEKYDHFGXNNRB-VNQPRFMTSA-N	276.445	4.960	70	10	CJIE	
CC(C)Sc1ccc(Br)cc1Cl	218555676	YUDIOXDCGNZNBH-UHFFFAOYSA-N	265.603	4.603	70	10	CJIE	
CCCCC[C@H](NCCC)c1ccc(C)c(OC)c1	159572849	CTLJUYYLJOGWGR-INIZCTEOSA-N	263.425	4.625	70	10	CJIE	
CCN[C@H](C)c1cc(F)ccc1Oc1ccc(F)cc1C	160588359	IQSMOZYYSOUTBL-GFCCVEGCSA-N	291.341	4.736	70	10	CJIE	
Cc1ccc2c(c1)[C@H](Nc1cccc3c1CCCC3)CC2	160754231	IEXVOTJPVKLNLB-HXUWFJFHSA-N	277.411	4.973	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc([C@H](O)CC3CC3)ccc21	161497095	SXUNGFYATGTYGE-QGZVFWFLSA-N	272.432	4.869	70	10	CJIE	
Cc1cccc(C)c1NC(=O)Nc1c(F)cccc1Cl	217313310	PEIDZSAXGKZAQK-UHFFFAOYSA-N	292.741	4.740	70	10	CJIE	
CC[C@H]1CC[C@H](N)[C@@H](Cc2c(Cl)cccc2Cl)C1	217642253	JORJXWITGTWTAX-RWSFTLGLSA-N	286.246	4.690	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@@H]1c1cc(Cl)ccc1Br	1885275065	RIUNGLDZEONZMZ-SVRRBLITSA-N	298.318	4.807	70	10	CJIE	
CC(=C[B-](F)(F)F)c1cccc(Cl)c1Cl	1912972130	FXIPEJXADHNLAQ-UHFFFAOYSA-N	253.867	4.783	70	10	CJIE	
CCCCC1CCC(C(C)(C)CS(=O)(=O)Cl)CC1	1951838384	ZLWMOGASQQXZJI-UHFFFAOYSA-N	294.888	4.578	70	10	CJIE	
CCCNCC1([C@H]2C[C@@H]2c2ccccc2)CCCCC1	159408747	YFBZXHBCJAXNFN-MSOLQXFVSA-N	271.448	4.740	70	10	CJIE	
O[C@@H](Cc1cccc(F)c1F)c1ccccc1C1CCC1	160001160	FGCVMVKXFZJBBL-KRWDZBQOSA-N	288.337	4.508	70	10	CJIE	
Cc1ccc([C@@H](O)c2cc3ccc(F)cc3s2)c(C)c1	161217959	CVHCYRXCOUIDHU-QGZVFWFLSA-N	286.371	4.739	70	10	CJIE	
CCC1(CC)CC(CNC2CC2)(C2=CCCCC2)C1	161457711	SLWKEXKXVUYXNL-UHFFFAOYSA-N	261.453	4.825	70	10	CJIE	
Cc1ccc(C[C@]2(N)C[C@H](C)CC[C@H]2C(C)C)cc1C	217881943	UNZMPFUUKKTAHW-MDASCCDHSA-N	273.464	4.636	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCCNc1ccccc1	217890153	PPLDUSNOLYNCIK-SZMVWBNQSA-N	275.436	4.576	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(Cl)cc1CN	218233881	SYTKTINHDJQTFK-MJEQTWJJSA-N	295.854	4.638	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@@H](N)[C@@H](c2ccccc2C(F)(F)F)C1	218533570	LGLBNVWTHWNABY-UXIGCNINSA-N	299.380	4.963	70	10	CJIE	
Cc1cc(Cl)ccc1NC(=O)NC=C1CCCCC1	218682569	QNUPPPIJWOSPHV-UHFFFAOYSA-N	278.783	4.618	70	10	CJIE	
CC(C)=C(CN(C)C[C@@H]1CCCC(C)(C)C1)[B-](F)(F)F	2340145158	AGVOZCAGDWEESL-CYBMUJFWSA-N	290.202	4.858	70	10	CJIE	
CC(C)Cc1cccc([C@@H](O)C[C@@H](C)C(C)(C)C)c1	159864696	ZARPTINQCYYVHO-PBHICJAKSA-N	262.437	4.991	70	10	CJIE	
Cc1cc(C)c([C@H](C)Nc2cccc(N(C)C)c2)cc1C	161061753	HXMGZCBARXLBIA-INIZCTEOSA-N	282.431	4.851	70	10	CJIE	
Cc1cc(C)c(C[C@H](O)c2cc(F)cc(Cl)c2)c(C)c1	161188413	LCTUIMPREGXDSB-KRWDZBQOSA-N	292.781	4.680	70	10	CJIE	
CC[C@H](C)c1cccc2c(CC(C)C)c(CN)oc12	161379470	RBKRMWDSIZMUCQ-LBPRGKRZSA-N	259.393	4.604	70	10	CJIE	
CCC[C@H]1CC[C@H](NC)[C@@H](Cc2ccccc2Cl)C1	217709825	UWEIPPUUHADGFI-LXZKKBNFSA-N	279.855	4.687	70	10	CJIE	
CC(C)Oc1ccc([C@@H](C)NC[C@H]2CCCC[C@@H]2C)cc1	218161230	LYOFGAQQCUXIBM-LZLYRXPVSA-N	289.463	4.951	70	10	CJIE	
CC(C)(C)/C=C/NC(=O)Nc1ccc(Cl)cc1Cl	218542303	ZFTPDBQGUMMTHV-VOTSOKGWSA-N	287.190	4.675	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1c1cc(Cl)ccc1Cl	1885275355	UJWWAQLJWUQRTD-HTRCEHHLSA-N	253.867	4.698	70	10	CJIE	
Cc1c(Br)sc([C@H]2C[C@@H]2[B-](F)(F)F)c1C	2241394404	YVGRTYLEVNBUSC-BQBZGAKWSA-N	297.956	4.832	70	10	CJIE	
CC(C)=C(CSc1ccc(F)c(F)c1)[B-](F)(F)F	2301956412	RYBWHMUJJKALGX-UHFFFAOYSA-N	281.078	4.780	70	10	CJIE	
C[C@@H](CN1CC[C@](C)([B-](F)(F)F)C1)C1CCCCC1	2319713203	SUBRPDBBIKIDQB-JSGCOSHPSA-N	276.175	4.516	70	10	CJIE	
CC[C@@H]1CC[C@@H](c2nc(C3CC3)c(CNC3CC3)s2)C1	159591163	KNSRPUPKTNSNQQ-DGCLKSJQSA-N	290.476	4.566	70	10	CJIE	
CCN[C@H](c1cncc(C)c1)C1CCC(C(C)C)CC1	160986097	CRTUAULOCVPOGI-HTWSVDAQSA-N	274.452	4.503	70	10	CJIE	
CCN[C@@H](c1ccc(C)o1)c1cc2ccc(F)cc2s1	161148645	BYIIYHHFWBJISA-INIZCTEOSA-N	289.375	4.641	70	10	CJIE	
CCCCC1CCC(CO)(C[C@H]2CCC(C)(C)O2)CC1	161304928	NBNPPDSNBQRPKY-UPTPFMHGSA-N	282.468	4.693	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NCC)[C@@H](Cc2cccc(F)c2F)C1	217714110	VMTFNTTUFXIZNC-FRFSOERESA-N	295.417	4.702	70	10	CJIE	
CCN[C@H](c1cc(C)ccc1F)[C@H]1CCC[C@@H](C)C1	217981524	NWPSASQTDDQKLK-IFIJOSMWSA-N	263.400	4.611	70	10	CJIE	
Cc1cc(C)c(N[C@@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c(C)c1	218090173	SYZKXCFWYPYUCX-CWQOZTLDSA-N	269.432	4.848	70	10	CJIE	
O=C(NC=C1CCCC1)Nc1cc(Cl)ccc1Cl	218754898	WJHGZYVQKYVUHD-UHFFFAOYSA-N	285.174	4.573	70	10	CJIE	
CCCNC[C@@]1(O[C@@H]2CCC[C@@H](C)C2)CCC[C@@H](C)C1	218761857	JPJGULIGZUXMOS-BRSBDYLESA-N	281.484	4.530	70	10	CJIE	
CC(C)=C(CSc1ccc(Cl)cn1)[B-](F)(F)F	1901702221	QMTBCFNJELQSGW-UHFFFAOYSA-N	280.531	4.550	70	10	CJIE	
CC(C)=C(CSCc1ccccc1C)[B-](F)(F)F	2301957135	YLCRZNARUUCYES-UHFFFAOYSA-N	273.152	4.951	70	10	CJIE	
Fc1cc(F)cc(C[C@@H](Br)c2ccccc2)c1	144842401	DBXNGZCLOOGZEW-CQSZACIVSA-N	297.142	4.644	70	10	CJIE	
C/C=C/c1ccccc1Oc1ccnc(NCCC)c1	159364615	ZPIGBWSBTOGFFO-XVNBXDOJSA-N	268.360	4.729	70	10	CJIE	
N[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217897319	XMGJCFBEJGSBJI-TUJLLHNGSA-N	296.241	4.604	70	10	CJIE	
C[C@@H]1CCC[C@H]([C@@H](O)c2cccc3ccccc23)C1	217911016	PIKUBOFGNSUQBR-QIIPPGSGSA-N	254.373	4.700	70	10	CJIE	
C[C@@H]1CCC[C@@H](N[C@H](c2ccccc2)C2CC2)[C@@H]1C	218077612	MWJOPUUVBKVYFT-DTTOXWODSA-N	257.421	4.552	70	10	CJIE	
C=C(CCN(C)C1CC(CCCCC)C1)[B-](F)(F)F	2059480869	FGONLSKFOOUILO-UHFFFAOYSA-N	276.175	4.610	70	10	CJIE	
CCCNC[C@H](C1CCCC1)[C@@H]1C[C@@H]1c1ccccc1	159492140	DRMURFVFTRXLOD-GUDVDZBRSA-N	271.448	4.596	70	10	CJIE	
Cc1cccc([C@@H](C)NCc2ccc(Cl)c(F)c2)c1	160152965	OPWGWZXABPNWJM-GFCCVEGCSA-N	277.770	4.638	70	10	CJIE	
CN[C@@H](c1cc2ccc(F)cc2s1)c1ccc(C)cc1C	161138686	NPKOVFQKUCGEPH-GOSISDBHSA-N	299.414	4.966	70	10	CJIE	
FC(F)c1cc(CBr)cc(C(F)(F)F)c1	166091532	DSGNRQJXVKNUIP-UHFFFAOYSA-N	289.041	4.538	70	10	CJIE	
CCN[C@@H](Cc1c(C)cc(C)cc1C)[C@@H]1CCC[C@@H](C)C1	218002696	FTIALSMUPQJJHH-DJKXOVBDSA-N	287.491	4.959	70	10	CJIE	
Cc1nc(C)c([C@H](C)N[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)s1	218125731	UYIWIRUJAIKIJL-YUDUHTQSSA-N	294.508	4.871	70	10	CJIE	
CCC[C@H]1CC[C@@H](CN)[C@@H](Cc2c(C)cc(C)cc2C)C1	218743711	RDEJBNLAZQSZJI-GBESFXJTSA-N	287.491	4.946	70	10	CJIE	
C=C(CCN(C)[C@@H]1CCC2(CCCCC2)C1)[B-](F)(F)F	2107126889	QZLGRCGXVCIZRJ-CQSZACIVSA-N	288.186	4.754	70	10	CJIE	
C=CCCCCCCCN1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2227285600	KGUHWLDYGXCWOG-GJZGRUSLSA-N	288.186	4.826	70	10	CJIE	
Cc1c(COCCCCCC2CC2)cccc1[B-](F)(F)F	2283575218	XDYXAQPDYNLIJU-UHFFFAOYSA-N	299.165	4.536	70	10	CJIE	
CCCNc1cc(Sc2ccc3c(c2)CCC3)ccn1	159397121	DGXGIXWZKQBEHJ-UHFFFAOYSA-N	284.428	4.543	70	10	CJIE	
CCCNCC(CC)(CC)[C@H]1C[C@@H]1c1ccccc1	159424600	NCKDSCWGUJJEHF-SJORKVTESA-N	259.437	4.596	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](N)c1cc(Cl)ccc1F	160867844	BHMOUWPVWIPEPY-SFHVURJKSA-N	299.776	4.989	70	10	CJIE	
Cc1cccc(C[C@@H](O)c2c(C)ccc3ccccc23)c1	161010054	CZFHLRAZWXQZMG-LJQANCHMSA-N	276.379	4.733	70	10	CJIE	
Cc1ccc(C(C)C)c2oc(CNC3CC3)c(C3CC3)c12	161407799	SQKPRUADYOHAAZ-UHFFFAOYSA-N	283.415	4.994	70	10	CJIE	
CC(C)Oc1cccc([C@@H](C)N[C@H]2CCCC[C@@H]2C)c1	217700718	VYSJRZCQPJNOJC-DAYGRLMNSA-N	275.436	4.703	70	10	CJIE	
CC[C@H](C)[C@@H](c1ccccc1)[C@@H](NC)c1cc(C)oc1C	217877882	CPFVZJBFKUOILB-AGRHKRQWSA-N	285.431	4.987	70	10	CJIE	
CN[C@H](Cc1c(C)cc(C)cc1C)[C@H]1CCC[C@@H](C)C1	217972585	KMEPFVFFFKSHRO-XVGQJIODSA-N	273.464	4.569	70	10	CJIE	
O=C(NC=C1CCCCC1)Nc1cccc(C(F)(F)F)c1	218665735	LDBFTEAMDIGIQC-UHFFFAOYSA-N	298.308	4.675	70	10	CJIE	
CCCN[C@H]1CC[C@@H](CCC)C[C@@H]1Oc1ccc(F)cc1	218774951	QHOAKELUEQRHJT-JLSDUUJJSA-N	293.426	4.542	70	10	CJIE	
CCCC1(COc2cc(C)cc([B-](F)(F)F)c2C)CCC1	2189624200	VGCTYEQJPGNOIJ-UHFFFAOYSA-N	299.165	4.707	70	10	CJIE	
CC(C)(C)C1CCC(CN)([C@H]2C[C@H]2c2ccccc2)CC1	159402432	BAAOFOLEFQXGHS-NRGCRIOASA-N	285.475	4.972	70	10	CJIE	
C[C@H]1CCC[C@@H](CCNCc2ccc(Cl)cc2F)C1	160828671	XYMNFZRPOAKANK-STQMWFEESA-N	283.818	4.785	70	10	CJIE	
CCN[C@H](Cc1ccc(Cl)s1)c1cc(C)ccc1C	160939964	QOHGTTGQPQIJIM-OAHLLOKOSA-N	293.863	4.912	70	10	CJIE	
CCOC1(C(=O)CCCc2ccccc2)CCC(C)CC1	160973376	UYMBIFZYDFKVCM-UHFFFAOYSA-N	288.431	4.564	70	10	CJIE	
O[C@H](CC1=CCCCC1)c1ccc2ccccc2c1	161042211	WBUVDYJNUKUYFR-GOSISDBHSA-N	252.357	4.764	70	10	CJIE	
O=C(Cc1ccc(F)cc1)c1cc2ccc(F)cc2s1	161168144	NUTDOXBWQDLPSZ-UHFFFAOYSA-N	288.318	4.605	70	10	CJIE	
CCC(CC)NC(=O)Nc1ccc(Nc2ccccc2)cc1	217304966	NTTADGZINYZIJZ-UHFFFAOYSA-N	297.402	4.740	70	10	CJIE	
CCN[C@@H](C1=CCCC1)[C@@H](c1ccccc1)[C@@H](C)CC	217885147	KQXNUHBWVYOJSB-IPELMVKDSA-N	271.448	4.905	70	10	CJIE	
CCN[C@H](CCCc1ccccc1)[C@H]1CCC[C@@H](C)C1	217993049	PIRZHQSWMHWAIK-NZSAHSFTSA-N	273.464	4.814	70	10	CJIE	
CCCN[C@H](CCc1ccccc1)[C@H]1CCC[C@@H](C)C1	218032535	WKUYCHIUHDGBOZ-NZSAHSFTSA-N	273.464	4.814	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	1885274457	LXTYCVOASHXPOQ-BQBZGAKWSA-N	253.867	4.698	70	10	CJIE	
C=C(CCOc1cccc(C(C)(C)C)c1)[B-](F)(F)F	2044980184	RBZIDUMBDQXFQI-UHFFFAOYSA-N	271.111	4.696	70	10	CJIE	
CC(C)CCCCCN1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2073777120	NNXJFTQUANQSPU-ZIAGYGMSSA-N	276.175	4.516	70	10	CJIE	
Cc1cc(OC[C@H]2CCCC(C)(C)C2)ccc1[B-](F)(F)F	2203159862	BCCNONJPVACNHZ-ZDUSSCGKSA-N	299.165	4.645	70	10	CJIE	
Cc1cc(Cl)cc([C@@H](O)c2cc3cc(F)ccc3o2)c1	159410926	LWRVYTPVJOMRNN-MRXNPFEDSA-N	290.721	4.615	70	10	CJIE	
CO[C@H](C)c1cccc(N[C@@H](C)c2ccccc2C)c1	159424880	KFOVAIQECGZJDY-LSDHHAIUSA-N	269.388	4.876	70	10	CJIE	
CCCN[C@H](c1cccs1)C1C2CC3CC(C2)CC1C3	160138990	SRVXKBIOQSCHOO-NEPSPCKVSA-N	289.488	4.861	70	10	CJIE	
FC(F)Oc1ccc(NCc2coc3ccccc23)cc1	161065046	YJVOYDPUXZYADC-UHFFFAOYSA-N	289.281	4.646	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)Cc1ccc(CC)s1	161333709	AOPNGXRKONRXCE-OAHLLOKOSA-N	277.477	4.722	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NCC)[C@@H](Cc2ccc(C)cc2)C1	217728045	YLTUVBKNFWCGMJ-BHIYHBOVSA-N	273.464	4.732	70	10	CJIE	
CC[C@@H](C)[C@H](c1ccccc1)[C@@H](O)c1ccc(F)cc1F	218127335	XYNGOFMQMQQGDS-PJSAGSTRSA-N	290.353	4.828	70	10	CJIE	
FC(F)(F)Sc1ccc(N[C@H]2C[C@H]3CC=C[C@@H]23)cc1	218185097	VNXJAMZIMWSPKC-WQAKAFBOSA-N	285.334	4.675	70	10	CJIE	
CCC[C@H](C)COc1ccc2cc([B-](F)(F)F)ccc2c1	312125402	BHDQXDYQERHAMM-LBPRGKRZSA-N	295.133	4.709	70	10	CJIE	
Cc1ccc(/C=C\[B-](F)(F)F)cc1OCc1ccccc1	393771516	GNRFCDOHBDLPRP-KTKRTIGZSA-N	291.101	4.974	70	10	CJIE	
C=CCC(CC=C)SCC(=C(C)C)[B-](F)(F)F	1901639431	JXAKGTLYCOSORV-UHFFFAOYSA-N	263.157	4.963	70	10	CJIE	
CCCCC[C@@H](NCC)c1ccc(OC(F)F)cc1	159625165	YSDVMNVXTSJOTC-CQSZACIVSA-N	271.351	4.519	70	10	CJIE	
CC(C)Cc1nc(C2CCCCC2)sc1CNC(C)C	159855781	WKRFLRNWTZXEJO-UHFFFAOYSA-N	294.508	4.887	70	10	CJIE	
O[C@@H](CCC1CCCCC1)c1ccc(OC2CC2)cc1	159912629	IIPOKCPEDLHGSQ-SFHVURJKSA-N	274.404	4.622	70	10	CJIE	
CCCCC1CCC(CN)(C[C@H]2CCC(C)(C)O2)CC1	160889983	NRRJPCNABBLHTM-UPTPFMHGSA-N	281.484	4.660	70	10	CJIE	
CC(C)(C)c1ccc(C[C@H](O)CC2=CCCCC2)cc1	161088526	UBJKJPUPNQJYJV-GOSISDBHSA-N	272.432	4.778	70	10	CJIE	
CCN[C@H](CCC1CCCC1)Cc1ccc(CC)s1	161165443	AKQQAHFQHKWXRN-OAHLLOKOSA-N	279.493	4.802	70	10	CJIE	
CCCCN(CCCC)C(=O)N/C=C/c1ccccc1C	217679332	GPJWPGZNJJIJBQ-OUKQBFOZSA-N	288.435	4.578	70	10	CJIE	
CN[C@@H](c1cccc(C(F)(F)F)c1)[C@H]1CCC[C@@H](C)C1	217960557	NFMDLEFKWFDEST-TYNCELHUSA-N	285.353	4.792	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1cc(F)cc(F)c1F	218195198	MQUNUPASHMAIAF-JKOKRWQUSA-N	285.353	4.977	70	10	CJIE	
CCCN[C@H]1CC[C@@H](CCC)C[C@@H]1N1CCCC[C@@H]1CC	218620204	VQFDINWJCFWKQR-XWSJACJDSA-N	294.527	4.588	70	10	CJIE	
CCNC[C@@]1(O[C@@H]2CCCC[C@@H]2CC)CCC[C@@H](C)C1	218747107	JRFCEBNMHNIBKV-XMTFNYHQSA-N	281.484	4.530	70	10	CJIE	
F[B-](F)(F)/C=C/c1cccc(-c2cccs2)c1	309646391	ZHKDNCMCXOJTDC-VOTSOKGWSA-N	253.077	4.815	70	10	CJIE	
Cc1sc(/C=C/[B-](F)(F)F)c(Br)c1C	2209324106	GVIJFCZQUYTEKW-ONEGZZNKSA-N	283.929	4.527	70	10	CJIE	
CC(C)=C(COCc1ccc(Cl)cc1)[B-](F)(F)F	2301963924	GMEJBFZTHLMCFA-UHFFFAOYSA-N	277.502	4.580	70	10	CJIE	
CC(C)=C(COCCCC[C@H]1C[C@@H]1C)[B-](F)(F)F	2301966717	DYGIELJSFHTINK-RYUDHWBXSA-N	263.132	4.552	70	10	CJIE	
CC1(C)CC[C@H](CCN2CCC[C@H]([B-](F)(F)F)C2)C1	2321634100	OQFIIJRXXNPPGC-OLZOCXBDSA-N	276.175	4.516	70	10	CJIE	
COc1ccc(CCCCCCCBr)cc1	80433903	DWQJOZYFWYCJHZ-UHFFFAOYSA-N	285.225	4.583	70	10	CJIE	
CCCNc1cc(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)ccn1	159362565	WUGPOCQGGKKPLC-DJIMGWMZSA-N	290.451	4.743	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@H](N)[C@H]([C@@H]2C[C@@H]2c2ccccc2)C1	159641790	ZJRMHFDTCQMFEM-DZVNLGKHSA-N	271.448	4.580	70	10	CJIE	
CCCCCC[C@H](O)C1(OCC)CCC(C)(C)CC1	159855554	NLVTYDMVJPHMJM-HNNXBMFYSA-N	270.457	4.693	70	10	CJIE	
CCC[C@H](C)[C@@H](NC)c1c(C)ccc2ccccc12	160884022	KSLNZCRRTQKVHY-KBXCAEBGSA-N	255.405	4.845	70	10	CJIE	
CC(C)(C)NC[C@H](C[C@@H]1CCC(C)(C)O1)c1ccccc1	160924722	JAOAJAQFHUSHKH-IRXDYDNUSA-N	289.463	4.506	70	10	CJIE	
c1cc2c(c(NCc3coc4ccccc34)c1)CCCC2	161061831	XNMGZXFPHMXOGO-UHFFFAOYSA-N	277.367	4.924	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1cc(C)c(OC)cc1C	161347586	BTNGNDVTWMSFJN-GOSISDBHSA-N	287.447	4.853	70	10	CJIE	
CCC[C@@H]1CC[C@H](NCC)[C@@H](Cc2ccccc2C)C1	217721867	GKXPSPVTBJLVCL-QRQLOZEOSA-N	273.464	4.732	70	10	CJIE	
CC(C)CNC[C@](C)(C(C)C)[C@H]1C[C@@H]1c1ccccc1	159489592	FONPIZODMRPREW-CEXWTWQISA-N	273.464	4.698	70	10	CJIE	
CCCCC[C@@H](CC12CC3CC(CC(C3)C1)C2)NC	159592979	RASYYUVHOSDAMR-LESVLKBLSA-N	263.469	4.761	70	10	CJIE	
CCCc1cccc([C@H](O)c2cc(F)c(Cl)cc2F)c1	159829554	JULSYBQCTNNQPG-INIZCTEOSA-N	296.744	4.652	70	10	CJIE	
CCN[C@@H](CC1CCCCC1)c1ccccc1OC(F)F	161085108	MOHLZDDKRRNHIY-HNNXBMFYSA-N	297.389	4.909	70	10	CJIE	
CO[C@]1(C(=O)c2cccc3ccccc23)CCC[C@@H](C)C1	161128873	FKJKLLHGWUFNPG-AUUYWEPGSA-N	282.383	4.618	70	10	CJIE	
CCCN[C@H](Cc1ccc(CC)s1)c1ccc(C)s1	161153882	BBIOLOMVNLZIOU-OAHLLOKOSA-N	293.501	4.964	70	10	CJIE	
CCOC1(C(=O)c2ccc(CC)cc2)CCC(C)(C)CC1	161258142	GCSWDSYWXXPIKC-UHFFFAOYSA-N	288.431	4.807	70	10	CJIE	
CC[C@H](NC)c1ccc2c(c1)C(C)(C)CCC2(C)C	161487234	KABHOVBVICFVFO-INIZCTEOSA-N	259.437	4.706	70	10	CJIE	
COc1ccc([C@H](C)N[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1	217883899	DJUKFNILDZFJAQ-SAKMYQHLSA-N	289.463	4.807	70	10	CJIE	
CCCN[C@@H]1CC[C@H](CCC)C[C@@H]1N(C)C1CCCCC1	218603670	OMDBEBFFRKLASL-UHOSZYNNSA-N	294.527	4.588	70	10	CJIE	
F[B-](F)(F)[C@@]12C[C@@H]1CCN(CCCCCCC1CC1)C2	2225789119	VVIBNQISCWZVEK-LSDHHAIUSA-N	288.186	4.660	70	10	CJIE	
Cc1cc(OCC2(C)CC(C)(C)C2)c(C)c([B-](F)(F)F)c1	2236594976	JLJNFHHPBOKVFT-UHFFFAOYSA-N	299.165	4.563	70	10	CJIE	
C[C@@H]1CCC[C@H](CCN2CCC[C@H]([B-](F)(F)F)C2)C1	2253936904	GANZSBLWGUARJQ-MCIONIFRSA-N	276.175	4.516	70	10	CJIE	
CC(C)=C(CO[C@@H]1CCCC(F)(F)CC1)[B-](F)(F)F	2317863947	PCXPKQIQMSXVDT-SNVBAGLBSA-N	285.085	4.694	70	10	CJIE	
C[C@@]1([B-](F)(F)F)CCN(Cc2cc3ccccc3s2)C1	2342520034	WPCBKDBEEQEMQE-CQSZACIVSA-N	298.162	4.715	70	10	CJIE	
Cc1ccc([C@H](C)N[C@@H]2CCc3ccc(C)cc32)c(C)c1	160807597	JXODCDGMYRGPDW-OXJNMPFZSA-N	279.427	4.950	70	10	CJIE	
Cc1cc(C)cc([C@@H](O)c2c(C)ccc3ccccc23)c1	161004338	XJKJVUZBJVJJTQ-HXUWFJFHSA-N	276.379	4.847	70	10	CJIE	
Cc1ccc(N[C@@H]2CCSc3ccccc32)cc1N(C)C	161219650	JOLYJZANXCCTCK-MRXNPFEDSA-N	298.455	4.710	70	10	CJIE	
CN[C@H](CC1=CCCCC1)C[C@H]1CCCc2ccccc21	161265936	CRTRRCOOZFMZDU-RTBURBONSA-N	283.459	4.975	70	10	CJIE	
CCOC1(C(=O)c2ccc(CC)cc2)CCCCCC1	161356738	TWDBRAQKYSKVTB-UHFFFAOYSA-N	274.404	4.561	70	10	CJIE	
CCN[C@H]1CC[C@H](CC)C[C@@H]1Cc1cc(C)ccc1C	217663439	PJMNSCZRRYBJIN-UHOSZYNNSA-N	273.464	4.650	70	10	CJIE	
C[C@@H]1CCC[C@H](CCN2CC[C@H]3C[C@]3([B-](F)(F)F)C2)C1	2265062320	XJKHDAOHEIPZDB-KBXIAJHMSA-N	288.186	4.516	70	10	CJIE	
CCCNc1cc(SCc2cc(C)cc(C)c2)ccn1	159400644	OCQWASQQRCPTEF-UHFFFAOYSA-N	286.444	4.813	70	10	CJIE	
CCC1(C(=O)c2cn(C)c3cc(Cl)ccc23)CCCC1	159633695	XRQBISDTWXUWIU-UHFFFAOYSA-N	289.806	4.985	70	10	CJIE	
CCCCOCCCN[C@H](C)c1ccc(C(C)C)cc1	160239737	ZEZQXAQVBANXBI-MRXNPFEDSA-N	277.452	4.667	70	10	CJIE	
CC(C)(CNCc1ccc(Cl)cc1F)c1cccs1	160862914	FGQBBWLRPRXIMB-UHFFFAOYSA-N	297.826	4.608	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](N)c1sccc1Cl	160867335	GDSJWURDYOXVGH-OAHLLOKOSA-N	287.815	4.911	70	10	CJIE	
CCN[C@@H](CC(F)(F)F)c1c(C)ccc2ccccc12	160914889	OKIDYGUSPXKCII-AWEZNQCLSA-N	281.321	4.751	70	10	CJIE	
CCCNCc1oc2c(Cl)cc(F)cc2c1C(C)C	161439411	RMXZWOWMJTYCJX-UHFFFAOYSA-N	283.774	4.848	70	10	CJIE	
Cc1ccc(C)c(CN[C@H]2C[C@@H](C)CC[C@H]2C(C)C)c1	217520762	XKKUATKFJNTPCD-SNRMKQJTSA-N	273.464	4.854	70	10	CJIE	
CCN[C@H]1CC[C@H](CC)C[C@@H]1Cc1cc(C)cc(C)c1	217662448	PVGPPTWHVNAAON-UHOSZYNNSA-N	273.464	4.650	70	10	CJIE	
CCC[C@](C)(CNCC(C)C)[C@@H]1C[C@@H]1c1ccccc1	159419649	PMNLUUARWPCJIO-GUDVDZBRSA-N	273.464	4.842	70	10	CJIE	
CC(C)(C)NC[C@H](Cc1ccc(F)cc1F)C1CCCC1	159995021	HSTQURGYHKNALW-HNNXBMFYSA-N	295.417	4.702	70	10	CJIE	
CCCCOCCCN[C@@H](CCC)c1ccc(Cl)cc1	160221977	GAVXQLBFVMZNSF-KRWDZBQOSA-N	297.870	4.978	70	10	CJIE	
CCCN[C@@H](Cc1ccc(CC)s1)c1cc(C)oc1C	161140026	YVDQJCKFIBQCEY-KRWDZBQOSA-N	291.460	4.804	70	10	CJIE	
Cc1cccc(C[C@H](N)c2cc3ccc(F)cc3s2)c1	161177340	CFYGGLKEDCYNBH-HNNXBMFYSA-N	285.387	4.591	70	10	CJIE	
CCOC1(C(=O)c2ccc(C)c(C)c2)CCCCCC1	161352952	IAYIEXGVPAMZCA-UHFFFAOYSA-N	274.404	4.616	70	10	CJIE	
CCCN[C@H](c1ccccc1OCC)[C@@H]1CCC[C@@H](C)C1	218007627	QDMOPNAZGYXSLV-MDZRGWNJSA-N	289.463	4.952	70	10	CJIE	
CCC[C@@H](N[C@@H]1CCC[C@@H](C)C1)c1cccs1	218145611	JHJSVAMFXXMPEA-MGPQQGTHSA-N	251.439	4.758	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1cc(F)c(F)c(F)c1	218196177	KJOWHBVNDCKBIS-HCKVZZMMSA-N	285.353	4.977	70	10	CJIE	
CCCN[C@H](C1=CCCO1)C1CCC(C(C)(C)C)CC1	160622505	GCDNSHWKJANOBD-DQPZFDDXSA-N	279.468	4.511	70	10	CJIE	
CCN[C@H](c1c(C)ccc2ccccc12)C1C[C@H]2C[C@@H]2C1	160919028	UXKVXMYHBOJEQY-QINHECLXSA-N	279.427	4.845	70	10	CJIE	
FC(F)(F)c1cccc(Cl)c1N[C@H]1C[C@@H]2CC=C[C@H]21	217973317	WCYWRCWWDCIZQM-SBMIAAHKSA-N	287.712	4.735	70	10	CJIE	
CC1CCC(CN[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)CC1	218206988	VOJMGXPHCPJAGA-PRBAEBOXSA-N	263.469	4.617	70	10	CJIE	
C=C(CCN(C)Cc1cccc(C(C)C)c1)[B-](F)(F)F	2343778825	FHSVOURRVPGSTJ-UHFFFAOYSA-N	284.154	4.575	70	10	CJIE	
CC1(C)CC[C@H](CC2(CO)CCC(C(C)(C)C)CC2)O1	161306620	MDGDWHAYWLQYOL-SWKXRBFHSA-N	282.468	4.549	70	10	CJIE	
CCCN[C@H](Cc1ccccc1Cl)[C@H]1CCCCS1	161410560	LYANIGRGUCFOFR-HZPDHXFCSA-N	297.895	4.536	70	10	CJIE	
CCC[C@@H]1CC[C@H](N)[C@@H](Cc2cccc3ccccc23)C1	217690287	USQANKFVVGSQLT-ZTNFWEORSA-N	281.443	4.926	70	10	CJIE	
CC[C@H](c1ccc(O)cc1)N1C[C@@H](C)Cc2ccccc21	217873986	MXODQZOKIKTWSQ-KBXCAEBGSA-N	281.399	4.542	70	10	CJIE	
CCN[C@H](c1cccc(C)c1C)[C@H]1CCC[C@@H](C)C1	217994264	PPISTSSCKYWDLM-SKDZVZGDSA-N	259.437	4.780	70	10	CJIE	
CC[C@@H](C)[C@H](c1ccccc1)[C@@H](O)c1ccc(C)cc1	218123069	ZQOQFYOEGWKQAT-LZQZEXGQSA-N	268.400	4.858	70	10	CJIE	
CC(C)=CNC(=O)Nc1ccccc1Sc1ccccc1	218381516	VABJAVDGKNWPPO-UHFFFAOYSA-N	298.411	4.883	70	10	CJIE	
Cc1cc(C)c(NC(=O)N/C=C/C2CCCCC2)c(C)c1	218632225	YHSZWMAORYMVDE-MDZDMXLPSA-N	286.419	4.827	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	1885275483	VHHPRDVUSXBNAS-RKDXNWHRSA-N	253.867	4.698	70	10	CJIE	
CCC1CCC(N(C)CC(=C(C)C)[B-](F)(F)F)CC1	2317998096	OCMOFPGYYUEIKJ-UHFFFAOYSA-N	276.175	4.610	70	10	CJIE	
CN[C@H](CC[C@H]1C[C@@H]1c1ccccc1)c1ccccc1	159530977	OVTAEMPZJAHEKC-IPMKNSEASA-N	265.400	4.531	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](N)[C@H]1C[C@@H]2CC[C@@H]1C2	160849098	PRUBGQFXKGVYMV-HAYUQVRISA-N	265.400	4.584	70	10	CJIE	
Cc1ccc2ccccc2c1-c1ccccc1[C@H](C)N	160963996	NGUNGGIAYLDZAG-AWEZNQCLSA-N	261.368	4.835	70	10	CJIE	
Cc1ccc(N[C@H](c2ccccc2)C(C)C)cc1N(C)C	161209318	QBWGYWYCUTZQNI-IBGZPJMESA-N	282.431	4.870	70	10	CJIE	
CCCNCc1oc2cc3c(cc2c1C1CC1)CCCC3	161449049	UJLPPRBXUXDJNF-UHFFFAOYSA-N	283.415	4.689	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCCNc1ccc(F)cc1	217899435	PAXQKSFSLBTPBT-QGTPRVQTSA-N	293.426	4.715	70	10	CJIE	
Cc1ccsc1[C@H](CN)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C	218248961	HNMSSNLSTVRXQE-UKMLZYKCSA-N	295.492	4.534	70	10	CJIE	
CCCCCCCCN1CCC[C@@H]([B-](F)(F)F)C1	2016104344	VKBXUGSIYSDRMH-CYBMUJFWSA-N	264.164	4.660	70	10	CJIE	
CCCN[C@@H](c1c(C)ccc2ccccc12)C(C)C	160935543	MTUDGJDKOVOJBM-GOSISDBHSA-N	255.405	4.845	70	10	CJIE	
CCc1ccc(C[C@@H](NC)c2cccc(F)c2Cl)s1	161098691	XRROJIXGFPWHTA-CQSZACIVSA-N	297.826	4.606	70	10	CJIE	
Cc1c(Cl)nc(C(C)C)nc1N[C@@H]1CC[C@H](C)[C@@H](C)C1	217561854	KMTJKEQKSUMFEX-GMXVVIOVSA-N	295.858	4.798	70	10	CJIE	
C[C@H]1C[C@@H]1c1ccc(CN[C@H](C)c2ccc(F)c(F)c2)o1	217636004	NXQWPDCTNBCMSS-WDMOLILDSA-N	291.341	4.532	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NCC)[C@@H](Cc2ccc(F)cc2)C1	217728372	AVMBMJJTVGCVCJ-QGPMSJSTSA-N	277.427	4.563	70	10	CJIE	
Fc1cc(N[C@@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)ccc1Cl	217961478	CTWDGYDSGMSAEM-TUJLLHNGSA-N	279.786	4.716	70	10	CJIE	
CCCC[C@@H](CC)CO[C@H](c1ccc(F)cc1)[C@@H](N)CC	218269287	AXENBKVINKYCGL-FHLIZLRMSA-N	295.442	4.837	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@H](O)[C@@H](Cc2ccc(F)cc2Cl)C1	218304965	WZXFSWPIRZXZEK-XEZPLFJOSA-N	298.829	4.845	70	10	CJIE	
CC[C@H]1CC[C@H](CN)[C@H]([C@@H]2CCC[C@H](CC)C2)C1	218662510	KHLSFYAAYZQYRU-SIRPWMCASA-N	251.458	4.604	70	10	CJIE	
CCCCN([C@@H](C)CC)[C@@H](C(C)C)[C@@H](N)c1ccccc1	218698623	GRUYVAKAMAYERA-WDSOQIARSA-N	290.495	4.612	70	10	CJIE	
CC[C@H]1CCCC[C@H]1O[C@@]1(CNC(C)C)CCC[C@@H](C)C1	218747376	YQEGTZDTCHCXSI-HCXYKTFWSA-N	295.511	4.919	70	10	CJIE	
CC(C)(C)CC1CC(CN2CCC[C@H]([B-](F)(F)F)C2)C1	2274310758	DEVYLDQSVMZPMP-RUXDESIVSA-N	290.202	4.762	70	10	CJIE	
CC(C)=C(COc1cccc(Cl)c1C)[B-](F)(F)F	2301966650	DHPBJBVCMRKJBZ-UHFFFAOYSA-N	277.502	4.750	70	10	CJIE	
CCCN[C@H](CC[C@H]1C[C@@H]1c1ccccc1)C(C)C	159527249	WQTZTOXPXFPJTA-RCCFBDPRSA-N	259.437	4.595	70	10	CJIE	
CC(C)NC[C@@H](CCCc1ccccc1)C1CCCC1	159966524	SGWLYJRFIOENKU-LJQANCHMSA-N	273.464	4.814	70	10	CJIE	
Cc1cc(C)cc([C@H](O)c2c(C)ccc3ccccc23)c1	161004473	XJKJVUZBJVJJTQ-FQEVSTJZSA-N	276.379	4.847	70	10	CJIE	
CCCc1ccc([C@@H](C)Nc2cccc(N(C)C)c2)cc1	161059916	UOPLPOIHYYCNSJ-OAHLLOKOSA-N	282.431	4.878	70	10	CJIE	
CO[C@]1(C(=O)Cc2ccc(C(C)C)cc2)CCC[C@@H](C)C1	161070533	QWUKIPYPYMPXBX-DNVCBOLYSA-N	288.431	4.517	70	10	CJIE	
CCC[C@H]1CC[C@H](NCC)[C@@H](Cc2cccc(F)c2)C1	217713372	YQVVGMBJKKTJFA-LESCRADOSA-N	277.427	4.563	70	10	CJIE	
CC[C@H]1CCCC[C@H]1O[C@H](c1ccccc1C)[C@H](N)CC	218244993	HUQWPETVNVHRRY-JCHJZTRSSA-N	289.463	4.759	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCc1ccc(N)cc1Cl	218249870	HHSKFBIZMOCBFO-MJEQTWJJSA-N	295.854	4.900	70	10	CJIE	
C=C(Cn1c2ccccc2c2ccccc21)[B-](F)(F)F	236130937	NKCFYNWDXOAFGA-UHFFFAOYSA-N	274.074	4.737	70	10	CJIE	
CC(C)=C(CSC[C@H]1CC[C@@H](C)C1)[B-](F)(F)F	1901639372	JIXGFUXMGMNKQZ-MNOVXSKESA-N	265.173	4.879	70	10	CJIE	
C=C(CO[C@@](C)(CC)CCCC(C)C)[B-](F)(F)F	2213734796	QMOKYSVZKOVZAS-ZDUSSCGKSA-N	265.148	4.941	70	10	CJIE	
Cc1cccc(C(=O)c2c[nH]c3cccc(C)c23)c1Cl	160267783	ZANNLYCNAPOTQX-UHFFFAOYSA-N	283.758	4.669	70	10	CJIE	
Cc1cccc(-c2noc(N)c2-c2ccccc2)c1Cl	160365396	OTEQTHDZZTWBJH-UHFFFAOYSA-N	284.746	4.553	70	10	CJIE	
Cc1cc(C)cc(N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1	218071643	GRPSGILSKLDRIN-QGPMSJSTSA-N	257.421	4.930	70	10	CJIE	
Cc1ccc(Cl)c(NCc2cncc3ccccc23)c1	218130814	OALJOYXZUYEYAC-UHFFFAOYSA-N	282.774	4.809	70	10	CJIE	
Cc1c(F)cccc1N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218167994	ZROKXRXDDRKPMX-XGWLTEMNSA-N	261.384	4.761	70	10	CJIE	
CCN[C@H](CC[C@H]1C[C@@H]1c1ccccc1)c1ccccc1	159531529	OABOUPRCCOJBJZ-XUVXKRRUSA-N	279.427	4.921	70	10	CJIE	
O[C@H](c1cccc(OC2CC2)c1)c1cc2ccccc2s1	159946945	PDPHZHOXKHQWLU-GOSISDBHSA-N	296.391	4.524	70	10	CJIE	
Cc1cccc(/C=C/NC(=O)Nc2ccccc2C(C)C)c1	217880328	IHXRYYAUTJHNFO-VAWYXSNFSA-N	294.398	4.911	70	10	CJIE	
C[C@@H]1CCC[C@H]([C@@H](O)c2ccc(C(C)(C)C)cc2)C1	217919540	GPYWHKULEAKNSU-KMFMINBZSA-N	260.421	4.844	70	10	CJIE	
CCCN[C@H](C)c1c(F)cccc1N1CCC[C@@H](CC)C1	218407937	AGUIOZOCSVSYOI-HUUCEWRRSA-N	292.442	4.513	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@H](N)[C@@H]([C@@H]2CCOC3(CCCC3)C2)C1	218534530	NMUPFXJFCYSYJK-VQHPVUNQSA-N	293.495	4.516	70	10	CJIE	
CCCC[C@H](CC)CN1CCC[C@@H]([B-](F)(F)F)C1	2016103254	LOTKFPQDLMBGEH-QWHCGFSZSA-N	264.164	4.516	70	10	CJIE	
COc1cc(N[C@@H](C)c2ccc(Cl)c(F)c2)ccc1F	160048980	UBYUYJYRNVHJQS-VIFPVBQESA-N	297.732	4.800	70	10	CJIE	
CC(C)(C)NCC1(C[C@@H]2CCC(C)(C)O2)CCCCC1	160897984	ZMIRHVOLNXCIOA-HNNXBMFYSA-N	281.484	4.673	70	10	CJIE	
CN[C@@H](c1cc(C)oc1C)c1c(C)ccc2ccccc12	160906243	QXCRWDSUQDBEJJ-IBGZPJMESA-N	279.383	4.667	70	10	CJIE	
CCCC[C@H](NCC)c1c(C)ccc2ccccc12	160920201	RWJWSTZTDHLJLW-KRWDZBQOSA-N	255.405	4.989	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@H](N)[C@@H](Cc2cccc(Cl)c2)C1	217747481	ASFCMDQKTOKWKH-LZWOXQAQSA-N	279.855	4.672	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1CCOc1ccccc1	217753837	YXWORTRNRPDVGV-XYJFISCASA-N	289.463	4.506	70	10	CJIE	
F[B-](F)(F)/C=C/c1ccc(-c2cccs2)cc1	380914708	QMCHYLVYYNJHEU-BQYQJAHWSA-N	253.077	4.815	70	10	CJIE	
C[C@]1(CN2CCC([B-](F)(F)F)CC2)CCCCC1(F)F	2231063395	ULEDBHBVCLRAQW-GFCCVEGCSA-N	298.128	4.515	70	10	CJIE	
CC(C)=C(CN1CCCCC12CCCCC2)[B-](F)(F)F	2340144323	NBIWLCXUDIULBF-UHFFFAOYSA-N	288.186	4.898	70	10	CJIE	
CC[C@H](C)c1ccc(C(=O)c2sccc2OC)cc1	161428790	SULDJSKYFHPHTM-NSHDSACASA-N	274.385	4.501	70	10	CJIE	
CCOc1ccc(-c2cc(Cl)ccc2O)cc1OCC	161430945	CVQPIMLGJJCCOL-UHFFFAOYSA-N	292.762	4.510	70	10	CJIE	
CCCOC(=O)Nc1cc(Cl)c(Cl)c(Cl)c1	217717944	JJJODKKUYAPYMY-UHFFFAOYSA-N	282.554	4.605	70	10	CJIE	
C[C@H]1CCC[C@H](C)C1N[C@H](C)c1cccc(OC(F)F)c1	218018509	GCCSTWHPJIXPDX-RWMBFGLXSA-N	297.389	4.763	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(Cl)cc1CN	218233652	SYTKTINHDJQTFK-PVUWLOKVSA-N	295.854	4.638	70	10	CJIE	
Cc1ccc([C@H](C)NCc2ccc(Cl)cc2F)c(C)c1	160771536	HFPGSWVYZBGDKX-ZDUSSCGKSA-N	291.797	4.947	70	10	CJIE	
CSc1ccccc1[C@@H](O)c1c(C)ccc2ccccc12	160993723	AVCVGXPHVDFTJI-LJQANCHMSA-N	294.419	4.952	70	10	CJIE	
Cc1cccc([C@H](O)c2c(C)ccc3ccccc23)c1C	161008200	CEKGWTOGYHHDFC-FQEVSTJZSA-N	276.379	4.847	70	10	CJIE	
CC(C)c1ccc([C@@H](O)c2cc(F)cc(Cl)c2)cc1	161204617	OECQQWZSHPCQGH-MRXNPFEDSA-N	278.754	4.684	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)Cc1c(C)cc(C)cc1C	161243978	DZYJNBLSLIYXLB-SFHVURJKSA-N	271.448	4.633	70	10	CJIE	
CNCc1oc2c(C(C)C)ccc(C)c2c1C(C)C	161407932	BHLYAEQHJDGRPY-UHFFFAOYSA-N	259.393	4.707	70	10	CJIE	
CNCc1oc2c(C)ccc(C(C)C)c2c1C(C)C	161444001	VDOPXIPYOOHVSZ-UHFFFAOYSA-N	259.393	4.707	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1NCc1c[nH]c2ccccc12	217523070	URGUURHNNZPRJG-QOKNQOGYSA-N	284.447	4.718	70	10	CJIE	
O=C(NC1CCCCCCCCCCC1)NC1CCCC1	217581196	QIEHDSSLHFHMIL-UHFFFAOYSA-N	294.483	4.902	70	10	CJIE	
CCN[C@H](Cc1ccc(F)cc1Cl)[C@@H]1CCC[C@@H](C)C1	217986465	JBJRYRVXKODTLZ-SUYBPPKGSA-N	297.845	4.826	70	10	CJIE	
CCN[C@@H](CCCc1ccccc1)[C@@H]1CCC[C@@H](C)C1	217992816	PIRZHQSWMHWAIK-QRQLOZEOSA-N	273.464	4.814	70	10	CJIE	
CCOc1ccccc1N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218057960	HSLVIIKBJHUACD-MZMPZRCHSA-N	273.420	4.712	70	10	CJIE	
C[C@H]1CCC[C@@H](C)N1N[C@@H]1CCC[C@@H](C(C)(C)C)CC1	218456240	HSVKYJVJSGUMAG-YYIAUSFCSA-N	280.500	4.749	70	10	CJIE	
C[C@@H]1CC[C@@H](C(C)(C)c2cc(F)ccc2Cl)[C@@H](N)C1	218511862	PRARAJJSZAJCSZ-HCKVZZMMSA-N	283.818	4.520	70	10	CJIE	
Cc1c(C(C)C)[nH]c2c(F)cc(Br)cc12	218702598	AHYRYUAVSSCGIO-UHFFFAOYSA-N	270.145	4.501	70	10	CJIE	
C[C@H](O[C@H](c1cccc(Cl)c1)[C@H](C)N)c1ccccc1	218718368	MMOJEUXEBPKWQQ-DCGLDWPTSA-N	289.806	4.506	70	10	CJIE	
F[B-](F)(F)/C=C/c1cccc(SC(F)(F)F)c1	381048076	GFHRPXCPUYKKTO-SNAWJCMRSA-N	271.014	4.698	70	10	CJIE	
CCCCCCCOc1cc(C)cc([B-](F)(F)F)c1C	686550186	MSCWSCSLSAPSCM-UHFFFAOYSA-N	287.154	4.707	70	10	CJIE	
CC(=C[B-](F)(F)F)CCc1ccc(OC(F)F)cc1	1912968095	YGCPAVBXJHVOPP-UHFFFAOYSA-N	279.037	4.554	70	10	CJIE	
CC(C)c1ccc(CN2CCC([B-](F)(F)F)CC2)cc1	2231069405	JVMXLDOVJDNXCW-UHFFFAOYSA-N	284.154	4.623	70	10	CJIE	
CCC[C@@H](C)CC(=O)c1csc(Br)c1	159478820	LBEGUVJVZUWSSF-MRVPVSSYSA-N	275.211	4.520	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccccc1CN(C)C	217607039	VXCWDUTZDLWSHN-SUMDDJOVSA-N	288.479	4.621	70	10	CJIE	
CN[C@H]1CC[C@H](C(C)C)C[C@@H]1CCCOc1ccccc1	217785361	SKTYLRXCPGQFJS-LNLFQRSKSA-N	289.463	4.506	70	10	CJIE	
Cc1ccc(OC[C@@H](C)CC(C)(C)C)c([B-](F)(F)F)c1	709116899	WYEQOZREKKSQPO-LBPRGKRZSA-N	287.154	4.501	70	10	CJIE	
Fc1ccc(Cl)c(C23CC([B-](F)(F)F)(C2)C3)c1	1887484464	ASHDZGVDTGMNBX-UHFFFAOYSA-N	263.450	4.502	70	10	CJIE	
Fc1ccc([C@H]2C[C@@H]2[B-](F)(F)F)c(C(F)(F)F)c1	2009404222	LNQPNPRCUDYCLC-APPZFPTMSA-N	270.964	4.549	70	10	CJIE	
O[C@@H](CC1CCCCCC1)c1ccc(OC2CC2)cc1	159928645	CCUAAEJOJBLRRO-SFHVURJKSA-N	274.404	4.622	70	10	CJIE	
CCOC1(C(=O)c2ccc(C(C)(C)C)cc2)CCCCC1	160826582	GKMGJHAEPRVZIM-UHFFFAOYSA-N	288.431	4.906	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)Cc1ccc(F)cc1	160827678	SEVKDUZGNXSQMD-UHFFFAOYSA-N	278.326	4.713	70	10	CJIE	
COC1(C(=O)c2ccc(C(C)(C)C)cc2)CCC(C)CC1	160950932	WEUJKALLNNGLPT-UHFFFAOYSA-N	288.431	4.762	70	10	CJIE	
CN[C@H](CC1=CCCCC1)c1ccc2nc(C)ccc2c1	161265428	BSEHPGGKJAKERN-LJQANCHMSA-N	280.415	4.694	70	10	CJIE	
CCCNCc1oc2cc3c(cc2c1C(C)C)CCC3	161301074	IIWSFCHFEMCAKJ-UHFFFAOYSA-N	271.404	4.545	70	10	CJIE	
CC(C)(C)NC(=O)NC1CCCCCCCCCCC1	217313499	PKMJFMHRWOZGCH-UHFFFAOYSA-N	282.472	4.757	70	10	CJIE	
CCCN[C@@H](Cc1cc(F)ccc1F)[C@H]1CCC[C@@H](C)C1	218014076	UKHQNGSZQSSYHQ-GLJUWKHASA-N	295.417	4.702	70	10	CJIE	
CCCN[C@H]1CCCc2nc([C@@H]3CCC[C@@H](C)C3)sc21	218076986	ZUXRWXAGEZGHOO-MCIONIFRSA-N	292.492	4.814	70	10	CJIE	
CCCN[C@@H](C)c1cc(F)ccc1N(C)[C@@H](C)CCC	218309424	KYEHZMOKNQANLW-KBPBESRZSA-N	280.431	4.511	70	10	CJIE	
O=C(N/C=C/C1CCCC1)Nc1cc(Cl)cc(Cl)c1	218608824	UBDAEEJIXBNEKM-AATRIKPKSA-N	299.201	4.819	70	10	CJIE	
CC[C@H]1CC[C@@H](CN)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	218694009	HWGMPITVACKKKX-RYQLBKOJSA-N	287.491	4.928	70	10	CJIE	
CCCC[C@H](CC)CO[C@@]1(CNCC)CCC[C@@H](C)C1	218755115	NRAKVNPRPMDSOL-SQNIBIBYSA-N	283.500	4.778	70	10	CJIE	
C[C@@H]1C[C@@H]1CCCCCN1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2269442901	OEWKOSLJVXOLAH-LXTVHRRPSA-N	288.186	4.516	70	10	CJIE	
CC1(C)CC[C@H](CCN2CCC[C@@H]([B-](F)(F)F)C2)C1	2321634099	OQFIIJRXXNPPGC-CHWSQXEVSA-N	276.175	4.516	70	10	CJIE	
COc1cc(N[C@H]2CCCC[C@@H]2C(C)(C)C)ccc1F	160055859	VZAGYXCHQSEAPZ-ZFWWWQNUSA-N	279.399	4.851	70	10	CJIE	
CCCCOCCCN[C@H](CC)c1ccc(Cl)cc1	160238361	ZHHPCLANPYLVHP-MRXNPFEDSA-N	283.843	4.588	70	10	CJIE	
CCCCOCCCN[C@@H]1CCC[C@@H](C(C)(C)C)CC1	160251517	BEZZHMBXIOKJOX-IAGOWNOFSA-N	283.500	4.778	70	10	CJIE	
CN[C@@H](c1cccc(F)c1)c1c(C)ccc2ccccc12	160896698	KOIXRCKMTZNKJY-IBGZPJMESA-N	279.358	4.596	70	10	CJIE	
Cc1ccc(C[C@H](N)c2cc3ccc(F)cc3s2)cc1	161173016	LLLRQHVDNCEHEI-HNNXBMFYSA-N	285.387	4.591	70	10	CJIE	
CCO[C@@]1(C(=O)C2CCC(CC)CC2)CCC[C@H](C)C1	161216940	NWWQBJTVDODFNL-USSHROBNSA-N	280.452	4.757	70	10	CJIE	
N[C@H](CC1=CCCCC1)c1ccc(C(F)(F)F)cc1	161229601	DWGLCBTVACUBBL-CQSZACIVSA-N	269.310	4.596	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)Cc1ccc2c(c1)CCC2	161307909	QDXYMQDIBSFSFS-FQEVSTJZSA-N	283.459	4.586	70	10	CJIE	
c1cc2c(s1)CCC[C@H]2N[C@@H]1C[C@@H]2C[C@H]1[C@@H]1CCC[C@H]21	217577199	WQGVYUSEDKFYMM-UHFNRVLPSA-N	287.472	4.540	70	10	CJIE	
FC(F)(F)[C@@H]1CCCC[C@@H]1N[C@@H](c1ccccc1)C1CC1	217617170	JXKRXVVMCUBYRF-PMPSAXMXSA-N	297.364	4.848	70	10	CJIE	
C[C@@H]1CCC[C@H]([C@@H](N)Cc2ccc(C(C)(C)C)cc2)C1	217950000	GOFPTDGAUSFTBT-HFTRVMKXSA-N	273.464	4.680	70	10	CJIE	
C1=C[C@@H]2[C@@H](C1)C[C@H]2N[C@H](c1cccs1)C1CCCC1	218260494	VJVHYQUDAZMRLF-HWMZRRJGSA-N	273.445	4.534	70	10	CJIE	
Cc1cc(OC[C@@H]2CCCC(C)(C)C2)ccc1[B-](F)(F)F	2203159861	BCCNONJPVACNHZ-CYBMUJFWSA-N	299.165	4.645	70	10	CJIE	
CCN[C@@H](c1c(C)ccc2ccccc12)[C@H](C)CC	160919919	WZKYCKNSKOZHAO-FZKQIMNGSA-N	255.405	4.845	70	10	CJIE	
CC[C@@H](Nc1cccc(N(C)C)c1)c1ccc(Cl)cc1	161101380	ITLMAGZQKOWJHU-QGZVFWFLSA-N	288.822	4.969	70	10	CJIE	
CC(C)(C)OC(=O)CCSc1ccc(C(C)(C)C)cc1	161495020	YIKXQBBTCNMFHM-UHFFFAOYSA-N	294.460	4.808	70	10	CJIE	
C[C@H]1Cc2nc([C@@H]3CC[C@@H]4CCCC[C@@H]4C3)[nH]c2C[C@H]1C	216847787	YPZZQQDYLWOINO-ZVDSWSACSA-N	286.463	4.854	70	10	CJIE	
CCN[C@@H]1CC[C@@H](C(C)C)C[C@@H]1Cc1ccc(CC)s1	217797204	KLQBLJYMPWWJPH-IIDMSEBBSA-N	293.520	4.903	70	10	CJIE	
CCCCCN(C(C)C)[C@H](c1ccc(F)cc1)[C@@H](N)CC	217826007	GLSZSZPIKIJTAH-ZWKOTPCHSA-N	294.458	4.505	70	10	CJIE	
Cc1cc(C)cc(C[C@]2(N)C[C@@H](C)CC[C@H]2C(C)C)c1	217881055	BNALEOKADNXFSY-ZOCIIQOWSA-N	273.464	4.636	70	10	CJIE	
CCCCCC[C@H](C)OCCN[C@H]1CCC[C@@H](C)C1	217911455	GONYWPNAILFFON-IKGGRYGDSA-N	269.473	4.530	70	10	CJIE	
Cc1cc([C@@H](C)N[C@@H]2C[C@@H](C)CC(C)(C)C2)c(C)o1	218172385	ZZKMELDXAXXILB-UXIGCNINSA-N	263.425	4.762	70	10	CJIE	
CC(C)(C)c1ccc(NC(=O)NC=C2CCCCC2)cc1	218689666	AYHXIJOAKDLTNJ-UHFFFAOYSA-N	286.419	4.954	70	10	CJIE	
Cc1cccc([C@H](CNC(C)C)O[C@@H]2CCC[C@@H](C)C2)c1	218760161	FQJBRMXZNHLXFM-QRQLOZEOSA-N	289.463	4.629	70	10	CJIE	
Cc1ccc(OC[C@H]2CCCC(C)(C)C2)c([B-](F)(F)F)c1	2203163351	SWUPWKUXUFRHJV-ZDUSSCGKSA-N	299.165	4.645	70	10	CJIE	
CCCN[C@@H](C1=CCCCO1)c1ccc2ccccc2c1	160001567	PLHHBVZTXZANMZ-LJQANCHMSA-N	281.399	4.575	70	10	CJIE	
CCCc1ccc([C@@H](O)C2C3CC4CC(C3)CC2C4)cc1	160214973	CUJHETNSXXPEDO-DQBYHPFJSA-N	284.443	4.745	70	10	CJIE	
Cc1ccc([C@@H](N)Cc2ccc(Cl)cc2Cl)c(F)c1	160477160	HETWNOSYMUMVOR-HNNXBMFYSA-N	298.188	4.683	70	10	CJIE	
N[C@H](CCC1CCCCC1)Cc1ccc(F)cc1Cl	160546943	ZURSLTJUVNDOHP-OAHLLOKOSA-N	283.818	4.709	70	10	CJIE	
Fc1ccc(Cl)cc1CNC12CC3CC(CC(C3)C1)C2	160632521	JDCPAQJPXCNIMO-UHFFFAOYSA-N	293.813	4.538	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1cc(C)ccc1C	161348931	SAWIEVPYIHXHHU-GOSISDBHSA-N	257.421	4.845	70	10	CJIE	
C=C(CCOCC[C@@H]1CCCCC12CC2)[B-](F)(F)F	2253888916	IYPJSOBJABAHFG-ZDUSSCGKSA-N	275.143	4.696	70	10	CJIE	
CC(C)=C(CN(C)C[C@@H]1CCC[C@H]1C(C)C)[B-](F)(F)F	2340152024	JFLVRBSJAZXFDU-KBPBESRZSA-N	290.202	4.714	70	10	CJIE	
CC[C@@H]1CC[C@@H](c2nc(C3CC3)c(CNC(C)C)s2)C1	159542281	AOGJTMOAKLYSBE-TZMCWYRMSA-N	292.492	4.812	70	10	CJIE	
CCOC1(c2nc(Cl)cc(CC)n2)CCC(C)(C)CC1	160378837	ZRRAEWRIKGYNMY-UHFFFAOYSA-N	296.842	4.524	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](N)c1ccc(Cl)cc1F	160844862	GQMFSYNEMQOFCG-GOSISDBHSA-N	299.776	4.989	70	10	CJIE	
CCCN[C@@H](c1ccco1)c1c(C)ccc2ccccc12	160937027	KJCWGALLPVEXIQ-IBGZPJMESA-N	279.383	4.830	70	10	CJIE	
CN[C@@H](CC1CCCCC1)C1C2CC3CC(C2)CC1C3	161064495	PHNBWXXMNXRIJR-YXOSVLIBSA-N	275.480	4.617	70	10	CJIE	
N[C@@H](CC1=CCCCC1)Cc1cccc2ccccc12	161208184	FFQGHYVFVWRKON-SFHVURJKSA-N	265.400	4.600	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)c1ccc(F)cc1F	161423546	BGWLFJDZIRARBR-QGZVFWFLSA-N	279.374	4.896	70	10	CJIE	
CCCCCCCCCOc1ccc([B-](F)(F)F)cc1	203325461	ISIPIBWWNVHJSC-UHFFFAOYSA-N	287.154	4.870	70	10	CJIE	
CCNC[C@@H]1CC[C@@H](CC)C[C@@H]1c1cc(F)ccc1Cl	218523016	AZCDFYLWDXBIEG-IPYPFGDCSA-N	297.845	4.999	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@@H](N)[C@@H](c2ccc(C(F)(F)F)cc2)C1	218539533	NEBYEZHFFOIWHB-RBSFLKMASA-N	299.380	4.963	70	10	CJIE	
CCCCCC[C@H](C)O[C@H](CC)[C@@H](O)c1ccccc1	218551887	RIOLCAONFIOZJW-JQHSSLGASA-N	278.436	4.874	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1[C@H]1CCC[C@H](C(F)(F)F)C1	1984461782	HJGREMQCVMWWOU-RBXMUDONSA-N	259.022	4.593	70	10	CJIE	
Fc1cc(C(F)(F)F)ccc1[C@H]1C[C@@H]1[B-](F)(F)F	2009403519	CSDZNINSUSVKJW-SFYZADRCSA-N	270.964	4.549	70	10	CJIE	
Cc1ccc(OC[C@@H]2CCCC(C)(C)C2)c([B-](F)(F)F)c1	2203163350	SWUPWKUXUFRHJV-CYBMUJFWSA-N	299.165	4.645	70	10	CJIE	
CC(C)=C(CN(C)C[C@]12CCCC[C@@H]1CC2)[B-](F)(F)F	2340151282	AOPUCKBODZOKIR-UKRRQHHQSA-N	288.186	4.612	70	10	CJIE	
Cc1ccccc1-c1c(N)noc1-c1cccc(C)c1Cl	160493414	XFMIJNVTPSNOHJ-UHFFFAOYSA-N	298.773	4.861	70	10	CJIE	
Cc1ccc([C@@H]2Oc3c(Cl)cccc3N[C@@H]2C)cc1	160529268	AJDRMXNAUWYIHI-IAQYHMDHSA-N	273.763	4.583	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)s1)c1cc(C)ccc1F	161139379	GYXLIFVGMCUCDZ-QGZVFWFLSA-N	291.435	4.651	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1cc(C)ccc1OC	161313357	LLDWELYLWOYDDW-KRWDZBQOSA-N	273.420	4.545	70	10	CJIE	
c1ccc(Oc2cccc(CNCCCC3CC3)c2)cc1	161354947	DRDJXHLVLQVRSV-UHFFFAOYSA-N	281.399	4.759	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1ccc(F)c(C)c1	161358345	RGJBEWQYDSRDIU-QGZVFWFLSA-N	261.384	4.675	70	10	CJIE	
CC(C)CNC(=O)NC1CCCCCCCCCCC1	217269442	VHRSEOGOHLQAQI-UHFFFAOYSA-N	282.472	4.615	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1O[C@@H](C)c1cccc(N)c1	217351464	ONKGFUDFYDGNDF-ZZCKCESHSA-N	275.436	4.807	70	10	CJIE	
Cc1ccc(N[C@H]2C[C@@H](C)CC[C@H]2C(C)C)c(C)c1O	218118403	ZJNZPWVDDACLCI-NUTKFTJISA-N	275.436	4.882	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1N[C@@H]1C[C@@H]1c1ccccc1	218171874	KIVWOBMJDAOCGQ-LZBKUMLDSA-N	271.448	4.593	70	10	CJIE	
Cc1ccc2c(c1)[C@H](Nc1ccc(OC(C)C)cc1)CC2	160770137	LDTJUPLXGSPEQN-LJQANCHMSA-N	281.399	4.882	70	10	CJIE	
COC1(C(=O)c2ccc(C3CCC3)cc2)CCC(C)CC1	160938201	NDNKWASISBVALW-UHFFFAOYSA-N	286.415	4.732	70	10	CJIE	
CCCN[C@@H](c1cc(C)c(C)cc1C)[C@@H]1CCCS1	161116730	IDRQIVYGKGIHFK-IRXDYDNUSA-N	277.477	4.548	70	10	CJIE	
CC[C@@H](Nc1ccc(C)c(N(C)C)c1)c1ccc(C)cc1	161221067	FQLWHUXOJSIJDL-GOSISDBHSA-N	282.431	4.933	70	10	CJIE	
CC[C@H]1CCCC[C@H]1N[C@H](CC)c1ccc(OC)cc1	217849434	NTRNQAGFZPPTMH-BMGDILEWSA-N	275.436	4.705	70	10	CJIE	
CCCOc1ccccc1N[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218057102	JXIKMBITGKPOFX-UJHHCITNSA-N	285.431	4.712	70	10	CJIE	
CCCOc1ccccc1N[C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218057156	JXIKMBITGKPOFX-ORDFZIBCSA-N	285.431	4.712	70	10	CJIE	
Cc1cccc([C@H](O[C@@H]2C[C@@H](C)CC(C)(C)C2)[C@@H](C)N)c1	218264443	LPYHUSZHHDCHNB-JOCBIADPSA-N	289.463	4.615	70	10	CJIE	
CCCCCN(C(C)C)[C@@H](C)[C@@H](O)c1ccc(CC)cc1	218529723	CCIRVKGYSGOLFV-QFBILLFUSA-N	291.479	4.572	70	10	CJIE	
CCN[C@H](c1cnc2ccccc2c1)[C@H]1CCC[C@@H](C)C1	218577023	GHNINLPEXNLRLW-ALKREAHSSA-N	282.431	4.712	70	10	CJIE	
CCN[C@@H]1CC[C@H](C(C)(C)CC)C[C@@H]1Oc1ccccc1	218775940	IVIIVGUOIGUTJB-JQHSSLGASA-N	289.463	4.648	70	10	CJIE	
C=CCCCCCCCOc1ccc([B-](F)(F)F)c(C)c1	2235533857	VZIWPRNRXWGVSU-UHFFFAOYSA-N	299.165	4.955	70	10	CJIE	
CCNCc1sc(C2CCC(C)CC2)nc1CC(C)C	159773272	WTFLRJUGLKAKKO-UHFFFAOYSA-N	294.508	4.745	70	10	CJIE	
O[C@H](c1cc2sccc2s1)[C@@H]1C[C@@H]1c1ccccc1	160065412	KEVWEJHRSDDMSA-HSMVNMDESA-N	286.421	4.800	70	10	CJIE	
CCCc1ccc(C(=O)C2(OC)CCCCCC2)cc1	161312452	RINRMNZNPCNARC-UHFFFAOYSA-N	274.404	4.561	70	10	CJIE	
c1ccc2c(CN[C@H]3C[C@H]4C[C@@H]3[C@@H]3CCC[C@@H]43)csc2c1	217576782	GCVZWMUMIPFYLV-MZJJYOIFSA-N	297.467	4.816	70	10	CJIE	
C[C@H]1CCC[C@@H]([C@@H](O)c2cccc3ccccc23)C1	217911251	PIKUBOFGNSUQBR-JCKWVBRZSA-N	254.373	4.700	70	10	CJIE	
Brc1cccc2scc(C3CC3)c12	218104980	GCKOXSPTEDUESQ-UHFFFAOYSA-N	253.164	4.541	70	10	CJIE	
C1=C[C@@H]2[C@H](C1)C[C@H]2N[C@H](c1cccs1)C1CCCC1	218260553	VJVHYQUDAZMRLF-ANQUJSFKSA-N	273.445	4.534	70	10	CJIE	
CCC[C@H]1CC[C@@H](O)[C@@H](Cc2c(F)cccc2Cl)C1	218295174	YGVSEOVMFQJCAI-HWWQOWPSSA-N	284.802	4.599	70	10	CJIE	
Cc1cc(OCCC2CCCCC2)c(C)c([B-](F)(F)F)c1	686553420	RQEGSVHXOQETNI-UHFFFAOYSA-N	299.165	4.707	70	10	CJIE	
Cc1c(COCCC2CCCCC2)cccc1[B-](F)(F)F	2283567223	ZVTFUUJVWGGHMS-UHFFFAOYSA-N	299.165	4.536	70	10	CJIE	
CC[C@@H](C)SCc1nc(C2CC2)c(CNC(C)C)s1	159545473	WZXKVGXFBVNIJP-LLVKDONJSA-N	298.521	4.550	70	10	CJIE	
N[C@@H](c1cc2cccc(Cl)c2o1)c1ccccc1Cl	159909274	LDEORFPFFFQEEG-CQSZACIVSA-N	292.165	4.788	70	10	CJIE	
CCSCC[C@H](C)N[C@H](C)CC(C)(C)c1ccccc1	160037845	YAVGRUXTOCOQED-JKSUJKDBSA-N	293.520	4.864	70	10	CJIE	
CCN[C@@H](CC1CCCCC1)c1ccccc1CC	161050485	YOVABHZDXBQBFH-SFHVURJKSA-N	259.437	4.870	70	10	CJIE	
Cc1ccccc1[C@@H](C)Nc1ccc(C)c(N(C)C)c1	161155426	JIELNWRBYMLQEQ-OAHLLOKOSA-N	268.404	4.543	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)s1)c1cc(C)cc(C)c1	161227771	LNYSPWNGIXWFMM-GOSISDBHSA-N	287.472	4.821	70	10	CJIE	
CCOc1ccc(-c2ccc(Cl)c(O)c2)cc1OCC	161429817	SPZFIDALCILKQY-UHFFFAOYSA-N	292.762	4.510	70	10	CJIE	
Cc1ccc([C@@H](N[C@@H]2CCC[C@H](C)[C@H]2C)C2CC2)cc1	217888094	GSHOSERGZXWLPZ-OSGQAZFXSA-N	271.448	4.860	70	10	CJIE	
F[B-](F)(F)/C=C\c1ccc(-c2ccsc2)cc1	393624875	IPHMENBLCYTNCZ-ALCCZGGFSA-N	253.077	4.815	70	10	CJIE	
C[Si](Cl)(Cl)C[C@H](Cl)c1ccccc1	689662491	ORLDPNUYABNBGO-VIFPVBQESA-N	253.632	4.516	70	10	CJIE	
F[B-](F)(F)C=Cc1ccc(SC(F)(F)F)cc1	1911651875	CFLDULUOWTXHBF-UHFFFAOYSA-N	271.014	4.698	70	10	CJIE	
CC1(C)CCC[C@H](CN2CC[C@@](C)([B-](F)(F)F)C2)C1	2319726750	LWJGTEGODDRDMQ-GXTWGEPZSA-N	276.175	4.516	70	10	CJIE	
Fc1ccc([C@H]2CNc3cccc(Cl)c3O2)cc1Cl	160540919	KQDGLPADTPENDD-CYBMUJFWSA-N	298.144	4.678	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](O)c1cc2c(s1)CCC2	161008639	NDGDMQLRCVWISV-LJQANCHMSA-N	294.419	4.780	70	10	CJIE	
C[C@H](NCCCC1CC1)c1ccc(C(C)(C)C)cc1	161416589	DOYDZVOEYGINSF-AWEZNQCLSA-N	259.437	4.825	70	10	CJIE	
CC(C)(C)c1ccccc1NC(=O)Nc1cccs1	217305850	QADRSGDAWXPMSB-UHFFFAOYSA-N	274.389	4.690	70	10	CJIE	
Cc1cc(C)cc(CN[C@H]2C[C@@H](C)CC[C@H]2C(C)C)c1	217521275	BPPZCCXVBRQLKT-JVPBZIDWSA-N	273.464	4.854	70	10	CJIE	
Cc1ccccc1/C=C/NC(=O)Nc1ccc(C(C)C)cc1	217658547	PVZXLMWYQYIPKI-OUKQBFOZSA-N	294.398	4.911	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](N)[C@@H](Cc2ccc(C(F)(F)F)cc2)C1	217775507	UVVHIRXHWDIFPD-IJEWVQPXSA-N	299.380	4.648	70	10	CJIE	
FC(F)(F)CSc1ccccc1N[C@H]1C[C@@H]2CC=C[C@H]21	218103166	CSNNPBXJTKAMBU-LOWVWBTDSA-N	299.361	4.718	70	10	CJIE	
CSc1cccc(NC(=O)N/C=C/c2ccc(C)cc2)c1	218111583	XNTLKJRYWLQOGH-ZHACJKMWSA-N	298.411	4.509	70	10	CJIE	
F[B-](F)(F)[C@H]1CCCN(Cc2csc3ccccc23)C1	2133912526	IWCWIHIVBKBOTL-LBPRGKRZSA-N	298.162	4.715	70	10	CJIE	
Cc1ccc(CNc2ccc(SC(F)(F)F)cc2)cn1	159569093	WMFYWKJZTJTUQR-UHFFFAOYSA-N	298.333	4.614	70	10	CJIE	
O[C@H](c1cccc(C2CCC2)c1)c1ccc2c(c1)CCC2	160168710	AQGAEZSQMQNUBA-HXUWFJFHSA-N	278.395	4.525	70	10	CJIE	
CN[C@@H](Cc1ccc(F)cc1Cl)c1cc(C)c(C)s1	160571206	QAJZWCDXBKDDPY-AWEZNQCLSA-N	297.826	4.661	70	10	CJIE	
Cc1ccc(C[C@@H](O)c2c(C)ccc3ccccc23)cc1	161005725	JHGZBJSELUHLHD-LJQANCHMSA-N	276.379	4.733	70	10	CJIE	
CCc1ccccc1[C@@H](N)Cc1ccc(C(C)(C)C)cc1	161286832	YMQPQVGSTLPAMN-IBGZPJMESA-N	281.443	4.789	70	10	CJIE	
CCCc1nc(Cl)c(C)c(N[C@H]2CC[C@H](C)[C@@H](C)C2)n1	217560945	FCKYOOGXWSBYKT-GVXVVHGQSA-N	295.858	4.628	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](N)[C@@H](Cc2cccc3ccccc23)C1	217778620	AFQNHHGLYNELJV-YVWKXTFCSA-N	281.443	4.782	70	10	CJIE	
CCC[C@H]1CC[C@H](COc2cccc([B-](F)(F)F)c2)CC1	2193122697	OCEONWPBPKCVID-HDJSIYSDSA-N	299.165	4.726	70	10	CJIE	
CC(C)(C)NC[C@H](Cc1cccc(F)c1F)C1CCCC1	159994739	WRVPUAPLBAGUCB-HNNXBMFYSA-N	295.417	4.702	70	10	CJIE	
O[C@H](c1cc2ccc(F)cc2s1)[C@H]1C[C@H]1c1ccccc1	160041327	PGXSCZPVBFAOLG-MPGHIAIKSA-N	298.382	4.878	70	10	CJIE	
CCN[C@H](c1ccc(F)c(F)c1)c1cccc(C)c1Cl	160298026	BSMHGXZLUUBPFG-MRXNPFEDSA-N	295.760	4.626	70	10	CJIE	
Fc1cc(Cl)ccc1CNc1ccc(F)c(F)c1F	160640524	YARRLFYUYPPDSP-UHFFFAOYSA-N	289.659	4.509	70	10	CJIE	
CN[C@H]1CC[C@@H](C(C)C)C[C@@H]1Cc1ccccc1Cl	217793596	JOAIMRVDKLIUFE-UNEWFSDZSA-N	279.855	4.543	70	10	CJIE	
C[C@H](N[C@H]1CCCc2sccc21)[C@@H]1C[C@@H]2CC[C@@H]1C2	218069054	LLLBYPDTPMTAIT-QPHFJENPSA-N	275.461	4.540	70	10	CJIE	
C[C@H](F)c1csc2cccc(Br)c12	218330783	VOONLTBIZJHWQW-LURJTMIESA-N	259.143	4.694	70	10	CJIE	
CSc1ccccc1OCC(=C(C)C)[B-](F)(F)F	2301963761	DYTOQGIPARDLBU-UHFFFAOYSA-N	275.124	4.510	70	10	CJIE	
CC(C)=C(COc1c(C)ccc(C)c1C)[B-](F)(F)F	2317860089	WYQXGCPAFHDMFH-UHFFFAOYSA-N	271.111	4.714	70	10	CJIE	
O[C@H](CCC1CCCCC1)Cc1ccc(Cl)cc1F	160378947	LECPAABSQDTTJN-OAHLLOKOSA-N	284.802	4.743	70	10	CJIE	
CCC[C@@H](C)[C@@H](NC)c1c(C)ccc2ccccc12	160883922	KSLNZCRRTQKVHY-RDTXWAMCSA-N	255.405	4.845	70	10	CJIE	
CN[C@H](CC1CCCCC1)c1ccc(Cl)cc1OC	160993156	KFEHXCZXMURMOO-OAHLLOKOSA-N	281.827	4.580	70	10	CJIE	
COc1ccc(N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1Cl	218057572	MKYIRLMXEBGAKD-XNJJOIOASA-N	293.838	4.975	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OC[C@H]1CC[C@H](C)CC1	2197480938	KKPIIZMGWLFTFQ-JOCQHMNTSA-N	299.165	4.509	70	10	CJIE	
CCN(CC(=C(C)C)[B-](F)(F)F)[C@@H]1CCCC1(C)C	2317863173	HUZKSHJSFPXKPS-CYBMUJFWSA-N	276.175	4.610	70	10	CJIE	
Cc1ccc(F)c(NCc2cc(F)cc(Cl)c2)c1F	160973998	TUJINMHDGVEQGB-UHFFFAOYSA-N	285.696	4.678	70	10	CJIE	
CCCN[C@@H](C)c1ccc2ccccc2c1OCCCF	161299607	RNEHEQAWIWGWOF-AWEZNQCLSA-N	289.394	4.639	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1ccc(CC)cc1	161341290	JEJZCXGNYJLAQC-SFHVURJKSA-N	257.421	4.790	70	10	CJIE	
Cc1cccc(N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1C	218078715	OIGWIPRGSBTZFR-UWWQBHOKSA-N	257.421	4.930	70	10	CJIE	
CCCN[C@@H](C)c1c(F)cccc1N1CCC[C@@H](CC)C1	218407851	AGUIOZOCSVSYOI-LSDHHAIUSA-N	292.442	4.513	70	10	CJIE	
CCCC[C@H](CC)CO[C@@H](C)[C@@H](O)c1ccc(CC)cc1	218555768	SUARDVUKELHDHX-VDZJLULYSA-N	292.463	4.904	70	10	CJIE	
C[C@@H]1CCC[C@@H](CCN2CCC[C@H]([B-](F)(F)F)C2)C1	2253936906	GANZSBLWGUARJQ-RDBSUJKOSA-N	276.175	4.516	70	10	CJIE	
CSc1ccc(OCC(=C(C)C)[B-](F)(F)F)cc1C	2317996748	BJRASLVAPJWKEP-UHFFFAOYSA-N	289.151	4.819	70	10	CJIE	
CCSCC[C@@H](C)N[C@@H]1CCC(C)(C)c2ccccc21	159980587	CTEDAJWERSOAPQ-RHSMWYFYSA-N	291.504	4.920	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)c1c(C)oc(C)c1C	160811201	XTJFTAYJZUPNIJ-UHFFFAOYSA-N	278.351	4.897	70	10	CJIE	
Fc1ccc2cc(CNc3ccccc3)sc2c1	160961408	FBBDLFVPRKAXPZ-UHFFFAOYSA-N	257.333	4.653	70	10	CJIE	
F[B-](F)(F)Cn1c(-c2ccccc2)cc2ccccc21	203429437	DXIQERPWOKDCSN-UHFFFAOYSA-N	274.074	4.695	70	10	CJIE	
CCc1ccc([C@@H](C)N[C@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)s1	217578987	IQCCJUFDJJGMEY-GDSAODMRSA-N	289.488	4.786	70	10	CJIE	
O=C(NC=C1CCCCC1)Nc1cccc2c(O)cccc12	218670744	WCACNGWALGNCNF-UHFFFAOYSA-N	296.370	4.515	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](CN)[C@@H](c2ccccc2C(F)(F)F)C1	218783481	JAPVZHLZOODDAZ-NFAWXSAZSA-N	299.380	4.820	70	10	CJIE	
F[B-](F)(F)/C=C/c1c(Cl)cccc1Br	306560026	AUAFOYXRYZCSOD-SNAWJCMRSA-N	284.291	4.502	70	10	CJIE	
F[B-](F)(F)C1CCN(Cc2ccc(C3CCC3)cc2)CC1	2240353877	TVWPORRTBFKCLK-UHFFFAOYSA-N	296.165	4.768	70	10	CJIE	
CC(C)=C(CO[C@@H](C)C1CCCCC1)[B-](F)(F)F	2301865128	UHAYMRCINHTGJV-NSHDSACASA-N	263.132	4.695	70	10	CJIE	
Cc1oc(C)c([C@@H](O)c2ccccc2C2CCC2)c1C	160004572	OEXJFRFIEJZKJP-SFHVURJKSA-N	270.372	4.554	70	10	CJIE	
CCc1cccc(C)c1NCc1cc(Cl)ccc1F	160770170	QQZXYEOLPOVQRM-UHFFFAOYSA-N	277.770	4.962	70	10	CJIE	
CCCC[C@H](CC)C[C@]1(O)C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217871576	RDXUUXTZWRJMOY-WEVKCVHISA-N	264.453	4.780	70	10	CJIE	
CC(C)CC(CC(C)C)N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217998613	VELWZRMNBBAFBD-UKNAQKAOSA-N	277.496	4.862	70	10	CJIE	
CC(C)(CN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)c1ccccc1	218116227	CAUOYWPXCSFJPF-FUHIMQAGSA-N	285.475	4.769	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@H](O)[C@@H](Cc2ccc(Cl)cc2)C1	218307625	XTINERUTRKTCSK-LZWOXQAQSA-N	280.839	4.706	70	10	CJIE	
Cc1ccc([C@H](O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1	218548788	FYNLEYXJECIYSQ-AITUJVMLSA-N	290.447	4.506	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl	1885275922	YLLNHHDXNAHLEJ-HTQZYQBOSA-N	253.867	4.698	70	10	CJIE	
CC(=C[B-](F)(F)F)c1ccc(Cl)c(Cl)c1	1912949314	QOPFZXUEGPMRLV-UHFFFAOYSA-N	253.867	4.783	70	10	CJIE	
CCC(=C[B-](F)(F)F)c1cccc(Br)c1	1912964428	CUUXCGKPESRDPX-UHFFFAOYSA-N	277.900	4.629	70	10	CJIE	
F[B-](F)(F)c1ccccc1OCCCCCCCC1CC1	2239358983	LUBCEAPPJXZKRA-UHFFFAOYSA-N	299.165	4.870	70	10	CJIE	
C=C(COCC[C@H](C)CCC=C(C)C)[B-](F)(F)F	2248811526	INKJPRYKQXLEID-GFCCVEGCSA-N	263.132	4.718	70	10	CJIE	
CC[C@H]1CCC[C@@H](OCC(=C(C)C)[B-](F)(F)F)C1	2301965918	YEOZLZNXCNZXNJ-NWDGAFQWSA-N	263.132	4.695	70	10	CJIE	
CCCCCCOc1nc2ccccc2cc1CCl	20517621	JVHMMQRKFZSKHK-UHFFFAOYSA-N	277.795	4.933	70	10	CJIE	
CCSCC[C@@H](C)N[C@@H](C)c1cc2c(s1)CCCC2	160042262	VPPCXULFYGETBX-OLZOCXBDSA-N	297.533	4.809	70	10	CJIE	
CCc1ccc(C(=O)C2C3CC4CC(C3)CC2C4)cc1	160111727	DJMDUGIQUQCIFE-UHFFFAOYSA-N	268.400	4.504	70	10	CJIE	
Cc1ccc(F)cc1[C@@H](N)c1c(C)ccc2ccccc12	160837718	VRCFIBCPNBNSTK-LJQANCHMSA-N	279.358	4.644	70	10	CJIE	
CO[C@@]1(C(=O)c2ccc(C3CCC3)cc2)CCC[C@H](C)C1	161028539	DBQGIERRXRSRDX-LIRRHRJNSA-N	286.415	4.732	70	10	CJIE	
CCN[C@H](Cc1ccc(C(C)(C)C)cc1)C(CC)CC	161258263	PWBYVFWQZYNWTM-GOSISDBHSA-N	275.480	4.941	70	10	CJIE	
Cc1ccc(C(C)C)c2c(C(C)(C)C)c(CN)oc12	161442216	PRVYBJVLBUCBQX-UHFFFAOYSA-N	259.393	4.621	70	10	CJIE	
CCOc1cc(F)ccc1N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	217580657	BIVAHJFKRAQJJE-ULFGMLNVSA-N	291.410	4.851	70	10	CJIE	
CC[C@@H]1CCCC[C@H]1N[C@H](c1ccc(OC)cc1)C1CC1	218153079	SXDXEIYNBOSLSH-ZMYBRWDISA-N	287.447	4.705	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1cc(F)cc(F)c1F	218195140	MQUNUPASHMAIAF-QKCSRTOESA-N	285.353	4.977	70	10	CJIE	
O[C@H]1CC[C@@H](c2ccccc2)C[C@@H]1CC1CCCC1	218309340	HOUQSTONICEYJN-SQNIBIBYSA-N	258.405	4.512	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](N)[C@@H](c2ccc(C(F)(F)F)cc2)C1	218513781	GBMJCMOWJKNDLF-BPLDGKMQSA-N	285.353	4.572	70	10	CJIE	
CCc1ccc([C@@H](O)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1	218553248	RXEOYAZOKUVAHK-OLMNPRSZSA-N	290.447	4.514	70	10	CJIE	
F[B-](F)(F)/C=C\c1ccc(Br)c(Cl)c1	382589038	HVPUNXKMQLWDNE-ARJAWSKDSA-N	284.291	4.502	70	10	CJIE	
Cc1cc(OC[C@@H](C)CC(C)(C)C)ccc1[B-](F)(F)F	709106931	GAWADDZYMOENQO-NSHDSACASA-N	287.154	4.501	70	10	CJIE	
C=C(CCN(Cc1ccccc1)CC(C)(C)C)[B-](F)(F)F	1954698846	WAFAMXZOTTYCGU-UHFFFAOYSA-N	298.181	4.868	70	10	CJIE	
C=C(CCOc1cc(C)ccc1C(C)C)[B-](F)(F)F	2044980742	YFUHAOFCHTYOSJ-UHFFFAOYSA-N	271.111	4.830	70	10	CJIE	
CCC[C@H]1CCCN(CC(=C(C)C)[B-](F)(F)F)CC1	2317857766	SCSIVYGXKPDAPY-ZDUSSCGKSA-N	276.175	4.612	70	10	CJIE	
CCOc1ccc(NCc2c(F)cccc2Cl)cc1F	159488773	RNIOQNJMDPJYAD-UHFFFAOYSA-N	297.732	4.629	70	10	CJIE	
Cn1cc(C(=O)CC2CCCCC2)c2ccc(Cl)cc21	159630883	UYMGUUYBDARZDG-UHFFFAOYSA-N	289.806	4.985	70	10	CJIE	
O[C@H](c1cc2cccc(Cl)c2o1)[C@H]1C[C@H]1c1ccccc1	159655645	ONFPETOJQDUKDC-ZQIUZPCESA-N	298.769	4.923	70	10	CJIE	
CCC(C)(C)[C@H](Cc1ccc(C(C)(C)C)cc1)NC	161254318	NHCKOZJVWLQZGQ-INIZCTEOSA-N	261.453	4.551	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](N)[C@@H](c2ccccc2C(F)(F)F)C1	218506459	BJJLXTXLHQIHHJ-UXIGCNINSA-N	285.353	4.572	70	10	CJIE	
CCCN[C@@H]1CC[C@H](CCC)C[C@@H]1Oc1ccccc1C	218774105	AUDUZICQWFHWFM-SCTDSRPQSA-N	289.463	4.711	70	10	CJIE	
CC[C@@H](C)[C@@H](C)Oc1ccc2cc([B-](F)(F)F)ccc2c1	319571273	HFQFDCCPVWULGQ-VXGBXAGGSA-N	295.133	4.708	70	10	CJIE	
F[B-](F)(F)/C=C/c1cc(Cl)cc(Br)c1	1882177779	RLVDXNNLYKPEHE-OWOJBTEDSA-N	284.291	4.502	70	10	CJIE	
Cc1cc(OC[C@H]2CC[C@H](C)CC2)c(C)c([B-](F)(F)F)c1	2193129184	MYWVCLVDCWMSNF-YEORSEQZSA-N	299.165	4.563	70	10	CJIE	
CC(C)=C(CN(CCC(C)C)CC(C)C)[B-](F)(F)F	2317987220	WPANVRGNRNRRQK-UHFFFAOYSA-N	278.191	4.714	70	10	CJIE	
C[C@]1([B-](F)(F)F)CCN(CC2C[C@H]3CCC[C@H](C2)C3)C1	2342540284	JJEYQXAEMTWCHS-YDHLFZDLSA-N	288.186	4.516	70	10	CJIE	
CCNCc1sc([C@H]2CCC[C@@H](C)C2)nc1CC(C)C	159772960	OIWFETBRIWJYPP-KGLIPLIRSA-N	294.508	4.745	70	10	CJIE	
CCc1ccc([C@@H](O)c2cccc(C)c2Cl)cc1CC	160425734	YNUQMWJRPONZQD-GOSISDBHSA-N	288.818	4.855	70	10	CJIE	
CCCN[C@H](c1c(Cl)cnn1C(C)C)[C@H]1CC[C@H](C)C1	160573298	DAIYQKZDZYXFKF-YDHLFZDLSA-N	297.874	4.594	70	10	CJIE	
CCO[C@]1(C(=O)CCCc2ccccc2)CCC[C@H](C)C1	161137217	VUFSWHZGJVDCMZ-QFBILLFUSA-N	288.431	4.564	70	10	CJIE	
Cc1ccc(N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c(C)c1	218050457	BORKKAONKPIXBP-UWWQBHOKSA-N	257.421	4.930	70	10	CJIE	
FC(F)(F)CSc1ccccc1N[C@H]1C[C@H]2CC=C[C@@H]12	218103336	CSNNPBXJTKAMBU-WZRBSPASSA-N	299.361	4.718	70	10	CJIE	
CC(C)(C)C[C@H](N[C@@H]1C[C@@H]2CC=C[C@H]21)c1ccccc1	218259987	DLFFOBGHPBWSIY-MLHJIOFPSA-N	269.432	4.718	70	10	CJIE	
CC[C@H]1CC[C@H](O)[C@@H](Cc2cccc3ccccc23)C1	218288736	CHCKUJIUIPRHCJ-YJLNNSPDSA-N	268.400	4.570	70	10	CJIE	
CCNC[C@@H](O[C@@H]1CCC[C@@H](C)C1)c1ccccc1Cl	218763521	OMELLQYSPNGCNT-CKEIUWERSA-N	295.854	4.586	70	10	CJIE	
CCCN[C@H]1CC[C@@H](CCC)C[C@@H]1OCc1ccccc1	218764567	IWTVVNRMGYNKMB-NEWSRXKRSA-N	289.463	4.540	70	10	CJIE	
Cc1sc([C@@H]2C[C@@H]2[B-](F)(F)F)c(Br)c1C	2209916090	VTJRSDYYAGLCSW-RQJHMYQMSA-N	297.956	4.832	70	10	CJIE	
F[B-](F)(F)c1cccc(COCCCCCCC2CC2)c1	2234153991	KYBCLZHFXKXMFE-UHFFFAOYSA-N	299.165	4.618	70	10	CJIE	
CCCNC[C@@H](Cc1cc(C)ccc1C)C1CCCC1	159954147	HGWCREKFQWOWKI-LJQANCHMSA-N	273.464	4.652	70	10	CJIE	
CC(C)CC1([C@H](N)Cc2ccc(F)cc2Cl)CCCC1	160556681	OUGNFNKDDMWRMT-MRXNPFEDSA-N	297.845	4.955	70	10	CJIE	
Cc1cc(F)ccc1Oc1nnc(Cl)c2ccccc12	160568097	ZHWJIZXXEBKFII-UHFFFAOYSA-N	288.709	4.523	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)Cc1cccc(F)c1	160825324	LVCUTAHGWWAGRW-UHFFFAOYSA-N	278.326	4.713	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)Cc1ccc(C)c(C)c1	161372131	PGJJQFOZOGUBHK-IBGZPJMESA-N	271.448	4.715	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCc1c[nH]c2ccccc12	217522920	URGUURHNNZPRJG-ALKREAHSSA-N	284.447	4.718	70	10	CJIE	
CCCCCN(C(C)C)[C@@H](c1cccc(C)c1)[C@@H](N)CC	217826389	PPRCSJJAEHCGPU-OALUTQOASA-N	290.495	4.674	70	10	CJIE	
Cc1ccc([C@@H](N[C@H]2CCC[C@H](C)[C@H]2C)C2CC2)cc1	217888237	GSHOSERGZXWLPZ-QGWWYQLQSA-N	271.448	4.860	70	10	CJIE	
COc1ccc([C@@H](N[C@@H]2CCC[C@@H](C)[C@@H]2C)C2CC2)cc1	217891110	IDZMTPDBRIOYCR-CFGMGRTJSA-N	287.447	4.561	70	10	CJIE	
Cc1cc(C)c(CN[C@@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1C	218210308	QJDPUBQDSINPAG-LFAQGZIKSA-N	283.459	4.526	70	10	CJIE	
Cc1ccsc1[C@H](CN)O[C@H]1C[C@@H](C)CC[C@H]1C(C)C	218248897	HNMSSNLSTVRXQE-TUUVXOQKSA-N	295.492	4.534	70	10	CJIE	
CCCCN([C@@H](C)[C@@H](NCC)c1ccccc1)[C@H](C)CC	218700692	MLKDIZZMHVQZIB-ZIFCJYIRSA-N	290.495	4.626	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](c2ccc(CC)cc2)C1	218729772	DNWBEKJWTBWMKI-BPQIPLTHSA-N	259.437	4.508	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](Cc2ccc3c(c2)CCC3)C1	218733393	CWGKJYOWVBEVMK-CDHQVMDDSA-N	285.475	4.509	70	10	CJIE	
CC1(C)CCC[C@@H](CN2CC[C@](C)([B-](F)(F)F)C2)C1	2319726752	LWJGTEGODDRDMQ-OCCSQVGLSA-N	276.175	4.516	70	10	CJIE	
CNc1cc(Oc2ccccc2-c2ccccc2)ccn1	159368743	DELHTNZVPBDAHH-UHFFFAOYSA-N	276.339	4.583	70	10	CJIE	
CC[C@@H](c1ccccc1)[C@H](O)c1cc2cc(F)ccc2o1	159402964	YCALFMBHDPTYMR-YJBOKZPZSA-N	284.330	4.799	70	10	CJIE	
CCCNC[C@H](c1ccccc1)[C@H]1C[C@@H]1c1ccccc1	159449478	CFLZBSWRSUXPPV-HSALFYBXSA-N	279.427	4.574	70	10	CJIE	
CCCN[C@H](CCC[C@H]1CCCO1)CC1=CCCCC1	161419245	ZKAWQXLRZUFZDD-MSOLQXFVSA-N	279.468	4.594	70	10	CJIE	
CCN[C@@H]1CC[C@@H](CC)C[C@@H]1CCCOc1ccccc1	217662547	WSLGMFVMAUUWBI-ZIFCJYIRSA-N	289.463	4.650	70	10	CJIE	
CCN[C@H](C)c1ccccc1N1CCC[C@@H]2CCCC[C@H]21	218017655	MREZGKDXXPMVTD-SOLBZPMBSA-N	286.463	4.516	70	10	CJIE	
CCCCCN(C(C)C)[C@@H](C)[C@@H](NC)c1ccc(C)cc1	218690639	LIHSUDAKHZXGJQ-PKOBYXMFSA-N	290.495	4.545	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)C)C[C@@H]1Oc1ccc(C(C)C)cc1	218766257	UULSFSJCVYJFMW-QRQLOZEOSA-N	289.463	4.602	70	10	CJIE	
CCN[C@H]1CC[C@H](CC)C[C@@H]1Oc1ccccc1C(C)C	218777372	MBGCRYQWSDDLHP-IEZWGBDMSA-N	289.463	4.746	70	10	CJIE	
CN(C[B-](F)(F)F)C1CCC2(CCCCCC2)CC1	2065937999	ALGPHLHTAYHXQU-UHFFFAOYSA-N	276.175	4.588	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OCC1(C)CCCCC1	2197464910	MERRQQUUJKVPDY-UHFFFAOYSA-N	299.165	4.653	70	10	CJIE	
Cc1sc([C@H]2C[C@H]2[B-](F)(F)F)c(Br)c1C	2209916088	VTJRSDYYAGLCSW-NKWVEPMBSA-N	297.956	4.832	70	10	CJIE	
CC(C)=C(COc1ccccc1C(C)C)[B-](F)(F)F	2317999075	XEIQZMMHCBCHLC-UHFFFAOYSA-N	271.111	4.912	70	10	CJIE	
CN[C@H](c1ccc(C)c(C)c1)C1C2CC3CC(C2)CC1C3	160129817	UKGQNHCXOYBDPI-DQBYHPFJSA-N	283.459	4.636	70	10	CJIE	
COc1cc(N[C@@H](c2ccc(C)cc2)C2CC2)ccc1F	160143746	VHTVSHIYPGLHOU-SFHVURJKSA-N	285.362	4.706	70	10	CJIE	
CCN[C@H](c1ccc(F)cc1F)c1cccc(C)c1Cl	160297382	HMBGWVPJXLCLBQ-MRXNPFEDSA-N	295.760	4.626	70	10	CJIE	
CN[C@H](c1ccccc1F)c1c(C)ccc2ccccc12	160884710	UHMYWCDGUBSSRZ-LJQANCHMSA-N	279.358	4.596	70	10	CJIE	
CC(C)CC[C@@H](O)c1ccc(Br)cc1Cl	161050236	AZFCYOFPVSYARR-GFCCVEGCSA-N	291.616	4.572	70	10	CJIE	
C[C@@H](Nc1cccc(N(C)C)c1)c1cnc2ccsc2c1	161076538	PRRYJIXWWNHSFH-GFCCVEGCSA-N	297.427	4.535	70	10	CJIE	
CCCN[C@@H](Cc1ccc(Cl)cc1)[C@@H]1CCCCS1	161417554	RZKUJKQKYSNBNY-HOTGVXAUSA-N	297.895	4.536	70	10	CJIE	
COc1ccc(Cl)cc1[C@@]1(O)C[C@H](C)CC[C@@H]1C(C)C	217867756	CHNLTBQNQWSNBM-SUYBPPKGSA-N	296.838	4.628	70	10	CJIE	
CC(C)Cc1ccc([C@@H](C)N[C@@H]2CCC[C@@H]2C)cc1	218210164	CIEKUOBXLTVRGS-HDMKZQKVSA-N	259.437	4.724	70	10	CJIE	
F[B-](F)(F)/C=C/c1ccc(Br)cc1Cl	307065290	SUQMKNAKAJAOSL-ONEGZZNKSA-N	284.291	4.502	70	10	CJIE	
C[C@@H](CN1CCC[C@H]([B-](F)(F)F)C1)C1CCCCC1	2070265395	XKNWGQBMLQQTSR-JSGCOSHPSA-N	276.175	4.516	70	10	CJIE	
CO[C@@H](CSCC(=C(C)C)[B-](F)(F)F)CC(C)(C)C	2317988642	HPRHJXZJUJGXDU-LLVKDONJSA-N	297.215	4.894	70	10	CJIE	
Cc1cccc([C@H](N)c2ccc(F)c3ccccc23)c1Cl	160313631	DNJHSOOKZASKQC-GOSISDBHSA-N	299.776	4.989	70	10	CJIE	
CC[C@H](C)[C@H](c1ccccc1)[C@@H](N)C1=CCCCC1	217882546	GHWGMIPWOROVPR-QGTPRVQTSA-N	257.421	4.644	70	10	CJIE	
C[C@@H]1CCC[C@H]([C@@H](O)Cc2cccc3ccccc23)C1	217924005	KPWCPGIBPSIXAR-LJHODMEESA-N	268.400	4.570	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1O[C@H](c1ccccc1Cl)[C@@H](C)N	218245204	UFRFBIKRWHRUJL-OQUILHJVSA-N	295.854	4.714	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@H]1C1CCC(C(F)(F)F)CC1	1984461887	IJUBANJLTRBPEH-PEBLOWIWSA-N	259.022	4.593	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@H]1c1ccc(Cl)c2cccnc12	2009405027	UGXHYEKMZXFHMG-UWVGGRQHSA-N	270.470	4.593	70	10	CJIE	
Cc1cc([C@H](O)c2cc3cc(Cl)ccc3o2)sc1C	159366956	CGGNSZDYNKVIAF-OAHLLOKOSA-N	292.787	4.846	70	10	CJIE	
CCc1ccsc1[C@H](O)c1ccccc1C1CCC1	160022700	QXPQVOHBNVUAOP-MRXNPFEDSA-N	272.413	4.660	70	10	CJIE	
O[C@H](CC1CCCCCC1)[C@@H]1C[C@H]1c1ccccc1	160067479	TWGVVEHTHJPDSU-RCCFBDPRSA-N	258.405	4.512	70	10	CJIE	
C[C@@H](N[C@H]1CCC[C@@H](C(C)(C)C)CC1)c1ccco1	160780590	FQUKAQWBDOEERS-KFWWJZLASA-N	263.425	4.925	70	10	CJIE	
CCC(CC)[C@@H](NC)c1c(C)ccc2ccccc12	160897707	GVFTURHUIYREJX-GOSISDBHSA-N	255.405	4.845	70	10	CJIE	
Cc1ccc(C[C@]2(O)C[C@H](C)CC[C@H]2C(C)C)cc1C	217865626	CFGAHCNDZZBLIJ-MDASCCDHSA-N	274.448	4.669	70	10	CJIE	
C[C@@H]1C[C@H](O[C@H](C)CNC2CCCCC2)CC(C)(C)C1	217912107	JPJKRJKCLNNTQV-INMHGKMJSA-N	281.484	4.529	70	10	CJIE	
Cc1ccc(N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c(F)c1	218092370	FWRRBQDQUNKRHH-XGWLTEMNSA-N	261.384	4.761	70	10	CJIE	
CCC1(CC)C[C@H](N[C@H]2CCC[C@@H](C(C)C)CC2)CCO1	218650887	JLVSLCKHSKGVMY-FGTMMUONSA-N	295.511	4.919	70	10	CJIE	
CCC[C@H]1CC[C@@H](CN)[C@@H](Cc2ccccc2Cl)C1	218735473	PCMURDAVKVVTNQ-CWRNSKLLSA-N	279.855	4.674	70	10	CJIE	
CC[C@H]1CCC[C@H](OCC(=C(C)C)[B-](F)(F)F)C1	2301965919	YEOZLZNXCNZXNJ-RYUDHWBXSA-N	263.132	4.695	70	10	CJIE	
C[C@@]1([B-](F)(F)F)CCN(C[C@@]2(C)CCCCC2(F)F)C1	2342554202	IOUBNXQLIFTRJF-VXGBXAGGSA-N	298.128	4.515	70	10	CJIE	
C=C(CCOCc1cccc(C2CCC2)c1)[B-](F)(F)F	2343807983	CUSMERIUDIJMRN-UHFFFAOYSA-N	283.122	4.804	70	10	CJIE	
O[C@H](c1cc2cccc(Cl)c2o1)[C@@H]1C[C@H]1c1ccccc1	159655901	ONFPETOJQDUKDC-VBQJREDUSA-N	298.769	4.923	70	10	CJIE	
O[C@H](c1cc2sccc2s1)[C@H]1C[C@@H]1c1ccccc1	160065161	KEVWEJHRSDDMSA-WQGACYEGSA-N	286.421	4.800	70	10	CJIE	
c1ccc2cc([C@@H]3CCNC[C@@H]3C3CCCC3)ccc2c1	160109212	DDWRWEGIWMQWDH-VQTJNVASSA-N	279.427	4.723	70	10	CJIE	
Cc1ccc(N[C@H](C)c2ccc(F)c(F)c2)cc1N(C)C	161142445	JTUWLYAVJSGINR-GFCCVEGCSA-N	290.357	4.512	70	10	CJIE	
CCCOc1cccc2c(C(C)C)c(CNC(C)C)oc12	161401722	GVOQYJDBPMAKJL-UHFFFAOYSA-N	289.419	4.843	70	10	CJIE	
CCCNCc1oc2c(Cl)cc(F)cc2c1CC(C)C	161437402	MTKGCJBBBOGFTM-UHFFFAOYSA-N	297.801	4.923	70	10	CJIE	
CCN[C@@H]1CC[C@@H](CC)C[C@@H]1Cc1ccccc1Cl	217672478	VEZIXKXSNYOIEE-FRFSOERESA-N	279.855	4.687	70	10	CJIE	
CCC[C@@H]1CC[C@H](NCC)[C@@H](Cc2cccc(F)c2F)C1	217714255	VMTFNTTUFXIZNC-UNEWFSDZSA-N	295.417	4.702	70	10	CJIE	
C[C@@H]1CCC[C@H]([C@@H](O)c2ccc3ccccc3c2)C1	217911661	KWGSZLKEKIWVCM-RPVQJOFSSA-N	254.373	4.700	70	10	CJIE	
CCN[C@H](c1ccc(CC)cc1)[C@H]1CCC[C@@H](C)C1	218003229	HRLCQYYECUOBNQ-FHLIZLRMSA-N	259.437	4.726	70	10	CJIE	
CCCCCCCCCCC[C@@H](C)S(=O)(=O)F	1952115636	VWCKYOSHDKOYGY-CYBMUJFWSA-N	266.422	4.595	70	10	CJIE	
Cc1ccc(Cl)cc1[C@@H](O)c1cc2cccc(F)c2o1	159516224	FKJGGMRVAZHRFY-OAHLLOKOSA-N	290.721	4.615	70	10	CJIE	
CC[C@@H](C)c1nc(CC(C)C)c(CNC(C)(C)C)s1	159971974	VZUPDKZUIBYFII-GFCCVEGCSA-N	282.497	4.743	70	10	CJIE	
CN[C@H](c1cc(F)c(C)cc1F)c1cccc(C)c1Cl	160321457	GZFXAKPHFWQTOE-INIZCTEOSA-N	295.760	4.544	70	10	CJIE	
CCOC1(C(=O)c2ccc(C)cc2C)CCC(C)(C)CC1	161244607	LDROOOWDHTYZKH-UHFFFAOYSA-N	288.431	4.862	70	10	CJIE	
CN[C@H](c1ccc2c(c1)C(C)(C)CCC2(C)C)[C@@H]1C[C@H]1C	161487999	LTRRRVKBLZUDEU-DDUZABMNSA-N	285.475	4.952	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@@H]1c1ccc(Cl)c(Br)c1	1885274874	PLYZYYFMRMDKCY-RQJHMYQMSA-N	298.318	4.807	70	10	CJIE	
CCN[C@H](CC[C@@H]1C[C@@H]1c1ccccc1)C(C)(C)C	159529643	CNADQWLZVXATHL-BRWVUGGUSA-N	259.437	4.595	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](O)c1c(C)oc(C)c1C	160987317	FMFJAFFLPRFROF-IBGZPJMESA-N	280.367	4.748	70	10	CJIE	
C[C@H]1CCCC[C@H]1OC[C@@H](O)c1ccc(C(C)(C)C)cc1	218549173	TXCUGMFQTGSRQG-BMGDILEWSA-N	290.447	4.613	70	10	CJIE	
CC(C)=C(COC1CC2(C1)CC1(CCC1)C2)[B-](F)(F)F	2340158737	CTUDWXYQMFQCQH-UHFFFAOYSA-N	287.154	4.839	70	10	CJIE	
CN[C@@H](c1ccc(C)c(C)c1)C1C2CC3CC(C2)CC1C3	160129684	UKGQNHCXOYBDPI-VMALJAOGSA-N	283.459	4.636	70	10	CJIE	
CCCCC[C@@H](NC)c1c(C)ccc2ccccc12	160905219	ISOWTCIOPZEAOF-QGZVFWFLSA-N	255.405	4.989	70	10	CJIE	
CCN[C@@H](Cc1ccccc1Cl)[C@@H]1CCC[C@@H](C)C1	218001121	SJXLIFRELMUTLZ-UNEWFSDZSA-N	279.855	4.687	70	10	CJIE	
C=C(CCN1CCCC[C@H]1c1cccs1)[B-](F)(F)F	2051779774	KXBNEFBNYDLAEF-LBPRGKRZSA-N	288.167	4.608	70	10	CJIE	
CC(C)=C(CN1CC[C@H](C2CCCCC2)C1)[B-](F)(F)F	2340136163	ADSCTWDARMYWHW-AWEZNQCLSA-N	288.186	4.612	70	10	CJIE	
CC(C)=C(CN(C)C1C[C@@H]2CCCC[C@H]2C1)[B-](F)(F)F	2340144970	XDIUVGPOPWDOTG-STQMWFEESA-N	288.186	4.610	70	10	CJIE	
CC(C)=C(Cn1ccnc1C1CCCCC1)[B-](F)(F)F	2340329088	RMBKXNKBSZNOOH-UHFFFAOYSA-N	285.142	4.654	70	10	CJIE	
CC(C)=C(CN1C[C@@H](C2CCC2)CC[C@@H]1C)[B-](F)(F)F	2340329834	YSBZHLMZTLFACF-JSGCOSHPSA-N	288.186	4.610	70	10	CJIE	
CC(C)c1ccc([C@@H]2CCNC[C@H]2C2CCCC2)cc1	160115212	SMHVYPBWQJSABS-OALUTQOASA-N	271.448	4.693	70	10	CJIE	
CCCN[C@H](C1=CCCC1)C1C2CC3CC(C2)CC1C3	160144615	NAHAYQWGNOMFFY-NFBBTKTMSA-N	273.464	4.537	70	10	CJIE	
CCOC(CC)(CC)C(=O)c1ccc2ccccc2c1	160649637	YKPVRHXLPVODLC-UHFFFAOYSA-N	270.372	4.618	70	10	CJIE	
C[C@@H](NCc1cc(F)cc(Cl)c1)c1cc(F)ccc1F	160837385	JUQVNLQTBFTUFR-SECBINFHSA-N	299.723	4.608	70	10	CJIE	
CCCN[C@@H](Cc1ccc(Cl)s1)c1cc(C)oc1C	160864913	FCOIZDXRDNZEKV-AWEZNQCLSA-N	297.851	4.895	70	10	CJIE	
CCCc1cccc(C(=O)[C@]2(OCC)CCC[C@H](C)C2)c1	161166706	MFKGAKUCZXVJNB-KXBFYZLASA-N	288.431	4.807	70	10	CJIE	
CC(C)c1ccc2oc(CNC3CC3)c(C3CC3)c2c1	161362718	HGPWRGPWPYDHGQ-UHFFFAOYSA-N	269.388	4.686	70	10	CJIE	
Cc1cccc(C(C)C)c1NC(=O)Nc1ccc(F)cc1	217268660	ZTBWQSCKDFVOCO-UHFFFAOYSA-N	286.350	4.902	70	10	CJIE	
C[C@@H]1C[C@@H](N[C@H](C)Cc2c(F)cccc2F)CC(C)(C)C1	218099191	PPTMQLXHJSUBKB-MGPQQGTHSA-N	295.417	4.700	70	10	CJIE	
CCCCCC[C@@H](C)O[C@@H]1C[C@@H](CCC)CC[C@@H]1O	218551362	YJXKRZZTLMEJDQ-LTIDMASMSA-N	270.457	4.692	70	10	CJIE	
C[C@]1([B-](F)(F)F)CCN(C[C@@]2(C)CCCCC2(F)F)C1	2342554199	IOUBNXQLIFTRJF-NEPJUHHUSA-N	298.128	4.515	70	10	CJIE	
CCCCOCCCN[C@H](CCC)c1ccc(Cl)cc1	160222066	GAVXQLBFVMZNSF-QGZVFWFLSA-N	297.870	4.978	70	10	CJIE	
CCN[C@H](Cc1ccc(Cl)s1)c1ccc(C)c(C)c1	160926814	PRSFJDWLJFLWFE-OAHLLOKOSA-N	293.863	4.912	70	10	CJIE	
C[C@@H]1C[C@@H]1[C@H](N)c1ccc2c(c1)C(C)(C)CCC2(C)C	161483731	QHADPRVKVANZAR-HACGYAERSA-N	271.448	4.691	70	10	CJIE	
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](N[C@H](c1ccccc1)C1CC1)C2	218144321	PMEGFAZXRSUUHA-MLYOOKFZSA-N	283.459	4.942	70	10	CJIE	
Cc1cc(C)c(NC(=O)N/C=C/c2ccc(F)cc2)c(C)c1	218193308	FEDAGYNLJXCWMU-CMDGGOBGSA-N	298.361	4.543	70	10	CJIE	
CCCCN([C@H](C)CC)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1NC	218699949	OWGWWHKXRUIBKY-ZJPYXAASSA-N	296.543	4.690	70	10	CJIE	
Cc1c(CO[C@@H]2CCCC(C)(C)C2)cccc1[B-](F)(F)F	2283585866	WKMMNXVXPHCYAS-CQSZACIVSA-N	299.165	4.535	70	10	CJIE	
CC[C@@H]1CCC[C@@H](OCC(=C(C)C)[B-](F)(F)F)C1	2301965920	YEOZLZNXCNZXNJ-VXGBXAGGSA-N	263.132	4.695	70	10	CJIE	
Fc1cc(F)c(NCc2cc(Cl)ccc2F)cc1F	160815906	SVNJFGUSMWDITM-UHFFFAOYSA-N	289.659	4.509	70	10	CJIE	
CCc1ccc(C[C@@H](NC)c2cccc(C)c2Cl)s1	161151169	DBIUMCZZKHQKEJ-OAHLLOKOSA-N	293.863	4.776	70	10	CJIE	
CCCNCc1oc2c(C)ccc(C)c2c1C(C)C	161236117	JYRBUFXYPAOINZ-UHFFFAOYSA-N	259.393	4.673	70	10	CJIE	
CCN[C@@H](c1ccc(Cl)cc1)[C@H]1CCC[C@@H](C)C1	218005909	PPXJBRNJZWKINN-INWMFGNUSA-N	265.828	4.817	70	10	CJIE	
COc1ccc([C@H](C)N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1	218076039	AIZUJFJEAJSBAW-YMFLFHJQSA-N	287.447	4.561	70	10	CJIE	
C=C(COc1ccc(Cl)c2ccccc12)[B-](F)(F)F	236129199	PDVPTXQVFUYRJN-UHFFFAOYSA-N	285.481	4.815	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OC1C[C@@H](C)C[C@H](C)C1	2197461132	IKKMRZFIALAKOZ-RYUDHWBXSA-N	299.165	4.507	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1OCCCCC[C@@H]1C[C@H]1C	2284857035	CNWYASGYRUWAKQ-TZMCWYRMSA-N	299.165	4.645	70	10	CJIE	
CCCc1cccc([C@H](O)[C@H](CC)c2ccccc2)c1	159816087	SUSQRLLYZGDKTP-MOPGFXCFSA-N	268.400	4.866	70	10	CJIE	
Cc1cc([C@@H](N)C2C3CC4CC(C3)CC2C4)cc(C)c1F	160147765	WPKKRKKVPMFOFM-KGKRJTBASA-N	287.422	4.515	70	10	CJIE	
Cc1ccccc1-c1c(-c2cccc(C)c2Cl)noc1N	160365114	NEMNVGKQPJWFEX-UHFFFAOYSA-N	298.773	4.861	70	10	CJIE	
CCCC[C@@H](CC)C[C@H](NCCC)[C@@H]1CCCS1	161130579	AUFVBBOWIQITNI-PMPSAXMXSA-N	271.514	4.857	70	10	CJIE	
CCC[C@@H](N)c1ccc2c(c1)C(C)(C)CCC2(C)C	161482018	GLPFILPELMTGBM-MRXNPFEDSA-N	259.437	4.836	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1Cc1cc(C)ccc1C	217752961	YRKAWGZUHKTIRW-GBESFXJTSA-N	287.491	4.896	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](N)[C@@H](Cc2cccc(C(F)(F)F)c2)C1	217778224	ACMRQWVMAZKZEE-IJEWVQPXSA-N	299.380	4.648	70	10	CJIE	
CCOc1cc(C)ccc1N[C@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218104093	QXYUSKROJWTIIY-DXWTWGPWSA-N	285.431	4.630	70	10	CJIE	
Cc1cc2c(n1[C@@H]1CCC[C@H](C)[C@H]1C)CC(C)(C)CC2=O	218608372	VUGUBJFFDDJFEZ-JGGQBBKZSA-N	287.447	4.949	70	10	CJIE	
C/C(=C/CCNC(C)(C)C)[C@@H]1C[C@H]1c1ccccc1	159632744	HQZJCIXOYMNVTJ-ZHKWONLHSA-N	257.421	4.515	70	10	CJIE	
CCCCOCCCN[C@H](C)c1ccc(CC(C)C)cc1	160247073	AIVDFWKAURRGDP-QGZVFWFLSA-N	291.479	4.743	70	10	CJIE	
C[C@@H](NCc1ccc(Cl)cc1F)c1cccc(Cl)c1	160660644	OVKTXNRHHIYNHR-SNVBAGLBSA-N	298.188	4.983	70	10	CJIE	
CCc1ccc([C@H](NC)c2cc3ccc(F)cc3s2)o1	161151014	QPGNYIXTXRCFKP-INIZCTEOSA-N	289.375	4.505	70	10	CJIE	
CC(C)Cc1c(CNC2CC2)oc2c(Cl)cccc12	161152816	PNAAODRSCABHDN-UHFFFAOYSA-N	277.795	4.537	70	10	CJIE	
CCN[C@@H](Cc1ccc(CC)s1)c1ccc(C)cc1F	161186280	LRGSYUREAAAQQO-KRWDZBQOSA-N	291.435	4.651	70	10	CJIE	
Cc1cc(Cl)nc(Nc2cccc(Br)c2)c1	217257770	SHQVHXCGPVEQFT-UHFFFAOYSA-N	297.583	4.550	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCCNc1cccc(F)c1	217894807	LKPZCQXKXHKWNV-QGTPRVQTSA-N	293.426	4.715	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1ccccc1N(C)C	217996565	GOEVHMMFPOXTNH-UXLLHSPISA-N	274.452	4.625	70	10	CJIE	
Cc1cc(N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)ccc1F	218196909	FLOYJMHXRWMDGT-YLQAJVPDSA-N	261.384	4.761	70	10	CJIE	
CC(C)=C(CN(C)[C@H](C)[C@@]12CCCC[C@@H]1C2)[B-](F)(F)F	2340129053	FEXWZZDEHMQWQI-NFAWXSAZSA-N	288.186	4.610	70	10	CJIE	
CC(C)CNC[C@H]([C@H]1C[C@@H]1c1ccccc1)C(C)(C)C	159481137	HIQFVOBXDBMJMM-FGTMMUONSA-N	273.464	4.698	70	10	CJIE	
C[C@H](C[C@@H](O)c1ccc(OC2CC2)cc1)CC(C)(C)C	159921372	HOKPCZQRCOEHNP-CXAGYDPISA-N	276.420	4.724	70	10	CJIE	
CCSCC[C@H](C)NCc1c(CC)oc2ccccc12	160051313	OQAHRVWAGSROHC-ZDUSSCGKSA-N	291.460	4.617	70	10	CJIE	
FC(F)(F)c1ccccc1[C@H]1CCNC[C@@H]1C1CCCC1	160127220	WVUIENJUOBOPQO-UKRRQHHQSA-N	297.364	4.589	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](NCC(C)(C)c1cccs1)CC2	160836170	DZXFSGBGFBQLDG-INIZCTEOSA-N	285.456	4.611	70	10	CJIE	
CCCN[C@H](c1ccc(F)cc1F)[C@@H]1CCC[C@@H](C)C1	218025086	GWBOBFTYAMAWNC-XNJGSVPQSA-N	281.390	4.832	70	10	CJIE	
Cc1ccccc1C(=O)CO[C@H]1C[C@H](C)CC[C@H]1C(C)C	218396513	JQUPSWWCJREQTF-ALKREAHSSA-N	288.431	4.655	70	10	CJIE	
CCCN[C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1N(C)[C@@H](C)CCC	218642235	GGEGFHAQVWZUGL-MLHJIOFPSA-N	296.543	4.690	70	10	CJIE	
F[B-](F)(F)/C=C/c1ccccc1-c1cccs1	385973850	PLZRNHITMVUKIM-BQYQJAHWSA-N	253.077	4.815	70	10	CJIE	
CN[C@H](CCC1CCCCC1)Cc1ccc(F)cc1Cl	160546814	ZYQSUMJDYAWCTM-MRXNPFEDSA-N	297.845	4.970	70	10	CJIE	
CCCC[C@H](CC)COc1ccc(C)cc1[B-](F)(F)F	203319312	LCIYSUHZNOZKRY-ZDUSSCGKSA-N	287.154	4.645	70	10	CJIE	
CCCCN([C@@H](C)CC)[C@H](c1ccc(C)s1)[C@@H](N)CC	217831015	CXHLODLGQCYGBH-QRTARXTBSA-N	296.524	4.736	70	10	CJIE	
COc1cc(C)ccc1N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218111327	GJAORLNKNPVAKA-MZMPZRCHSA-N	273.420	4.630	70	10	CJIE	
C=C(CCN1CCCC12CCC(C)(C)CC2)[B-](F)(F)F	2224832011	ZDMDWYPJIBVBCN-UHFFFAOYSA-N	288.186	4.754	70	10	CJIE	
Cc1ccc([C@@H](C)N[C@H]2CCC(C)(C)C[C@H]2C)cc1	159904715	SZGCHMPLGJQVOL-INMHGKMJSA-N	259.437	4.860	70	10	CJIE	
CCCNC[C@H](Cc1cc(C)ccc1C)C1CCCC1	159954313	HGWCREKFQWOWKI-IBGZPJMESA-N	273.464	4.652	70	10	CJIE	
CCC[C@@H](C)[C@@H](Cc1ccc(C(C)(C)C)cc1)NCC	161289521	KLMPIUIKTHVZBG-CRAIPNDOSA-N	275.480	4.941	70	10	CJIE	
CC(C)c1c(CNC2CC2)oc2c(C(C)C)cccc12	161374098	KZXUEDPHWNAZLS-UHFFFAOYSA-N	271.404	4.932	70	10	CJIE	
CCNCc1oc2cc3c(cc2c1CC(C)C)CCCC3	161448221	DZRSKQFGYLIRES-UHFFFAOYSA-N	285.431	4.620	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1O[C@H](c1ccc(Cl)cc1)[C@@H](C)N	218244138	TYEWLOCVXUKODZ-OQUILHJVSA-N	295.854	4.714	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC1(CN)CCCCCC1	218750260	WJMZKCRUBWOQHO-IKGGRYGDSA-N	281.484	4.516	70	10	CJIE	
Oc1c(Cl)cc(Cl)c(Cl)c1/C=C\[B-](F)(F)F	309628113	FRORESFTAQYHPC-UPHRSURJSA-N	290.284	4.752	70	10	CJIE	
CC(C)=C(CN1CCC[C@H](C2CCCC2)C1)[B-](F)(F)F	2340148865	AGNLVXDNCHTBTQ-AWEZNQCLSA-N	288.186	4.612	70	10	CJIE	
CCCNc1cc(Sc2cc3ccccc3[nH]2)ccn1	159400518	XNFCMPXBFSVYJU-UHFFFAOYSA-N	283.400	4.536	70	10	CJIE	
Cc1cccc([C@@H](C)N[C@H]2C[C@H](C)CC(C)(C)C2)c1	160165714	GOQJSEHINBUEAO-UXLLHSPISA-N	259.437	4.860	70	10	CJIE	
C[C@@H]1CCC[C@H](CCNCc2cc(F)cc(Cl)c2)C1	160941815	FJJNYELSNLVCTJ-CHWSQXEVSA-N	283.818	4.785	70	10	CJIE	
CCC1([C@@H](N)Cc2ccc(C(C)(C)C)cc2)CCCC1	161277807	XELCOQQUZGZULY-KRWDZBQOSA-N	273.464	4.824	70	10	CJIE	
CN[C@@H](Cc1ccc(C(C)(C)C)cc1)c1sccc1C	161288088	RNNIYQQJIYBXIU-INIZCTEOSA-N	287.472	4.857	70	10	CJIE	
CCNCc1oc2ccc(C(C)(C)C)cc2c1C1CC1	161365123	NGUGUSXZWBXTBA-UHFFFAOYSA-N	271.404	4.717	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@H](N)[C@@H](Cc2ccc(Cl)cc2)C1	217747151	DTVDMDLRPXCAJX-LZWOXQAQSA-N	279.855	4.672	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1NCCC1CCCC1	218087225	JWOVKQRYPSAHJH-XIRDDKMYSA-N	251.458	4.617	70	10	CJIE	
Cc1cc(OCCCCC[C@H]2C[C@H]2C)ccc1[B-](F)(F)F	2284872917	YBJHNRNNUDQOMW-OCCSQVGLSA-N	299.165	4.645	70	10	CJIE	
COc1cc(N[C@H](c2ccc(C)cc2)C2CC2)ccc1F	160143881	VHTVSHIYPGLHOU-GOSISDBHSA-N	285.362	4.706	70	10	CJIE	
O[C@@H](Cc1c(F)cccc1F)c1cccc(C2CCC2)c1	160183759	TVZFAPXLUOFROJ-SFHVURJKSA-N	288.337	4.508	70	10	CJIE	
C[C@H]1Nc2cccc(Cl)c2O[C@H]1c1ccc(Cl)cc1	160542113	JALULOOXHUFGPS-YMTOWFKASA-N	294.181	4.928	70	10	CJIE	
Cc1[nH]c(C(=O)c2cc3ccc(F)cc3s2)c(C)c1C	161129011	CMTKKDFHKIUAAA-UHFFFAOYSA-N	287.359	4.525	70	10	CJIE	
CC[C@H](C)C[C@@H](Cc1ccc(C(C)(C)C)cc1)NC	161266358	ZLCJFZAPHVPFOI-YOEHRIQHSA-N	261.453	4.551	70	10	CJIE	
CCCN[C@@H](Cc1cc(F)ccc1F)[C@@H]1CCC[C@@H](C)C1	218013915	UKHQNGSZQSSYHQ-LBTNJELSSA-N	295.417	4.702	70	10	CJIE	
CCC[C@H]1CC[C@H](O)[C@@H](Cc2ccc(C(C)C)cc2)C1	218293161	VRCRMHGNVOXECD-IPELMVKDSA-N	274.448	4.930	70	10	CJIE	
CCCCCC[C@H](C)O[C@@H]1C[C@@H](CCC)CC[C@@H]1O	218551438	YJXKRZZTLMEJDQ-LUKYLMHMSA-N	270.457	4.692	70	10	CJIE	
CCCNCc1sc([C@@H]2CCC[C@@H](C)C2)nc1C1CC1	159503188	IHHGARDVVQJYKZ-TZMCWYRMSA-N	292.492	4.814	70	10	CJIE	
CCCN[C@H](c1ccco1)c1cc2ccc(F)cc2s1	161148508	MRJFYKFIKGNSPV-MRXNPFEDSA-N	289.375	4.722	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1N[C@@H](C)c1cccc(O)c1	217885475	IRIVLYCDTSYVHX-ZZCKCESHSA-N	275.436	4.504	70	10	CJIE	
CCCOc1ccc([C@H]2C[C@@H](CCC)CC[C@@H]2CN)cc1	218750680	FPADSQZTWKBSPS-KVSKMBFKSA-N	289.463	4.734	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](Cc2ccc(F)cc2Cl)C1	218754141	LJPCPQSQYYQFQD-VHDGCEQUSA-N	297.845	4.813	70	10	CJIE	
CCCC[C@H](CC)CO[C@]1(CNCC)CCC[C@@H](C)C1	218755211	NRAKVNPRPMDSOL-FGTMMUONSA-N	283.500	4.778	70	10	CJIE	
CC(C)=C(CN(Cc1ccco1)C(C)(C)C)[B-](F)(F)F	2340154078	FLHMICXXPIDVQP-UHFFFAOYSA-N	288.142	4.603	70	10	CJIE	
CCCN[C@H](CC[C@@H]1C[C@@H]1c1ccccc1)C(C)(C)C	159530137	UVWZHZORMKJZGS-KZNAEPCWSA-N	273.464	4.985	70	10	CJIE	
CCC[C@H]1CC[C@@H](N)[C@@H](Cc2c(F)cccc2Cl)C1	217684864	OXZKUGLRLMJGAW-HWWQOWPSSA-N	283.818	4.565	70	10	CJIE	
CCC[C@H]1CC[C@H](N)[C@@H](CCCc2ccccc2)C1	217687029	OZTZMIWGOKMECJ-BZSNNMDCSA-N	259.437	4.553	70	10	CJIE	
C[C@H]1CCC[C@@H]([C@@H](O)c2cccc(Cl)c2Cl)C1	217912253	LLAGANRBUKZQGH-IMSIIYSGSA-N	273.203	4.853	70	10	CJIE	
CC[C@@H]1CC[C@@H](CN)[C@@H](Cc2ccc(C(C)C)cc2)C1	218633774	APZHMWBNDGXWHL-AYOQOUSVSA-N	273.464	4.754	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@H]1c1ccc(Br)cc1Cl	1885274707	NXRJMHOYEXEPJM-YUMQZZPRSA-N	298.318	4.807	70	10	CJIE	
C=C(CCN(C)[C@H](C)[C@@H]1CCCC(C)(C)C1)[B-](F)(F)F	2112219471	DQDBMZDXUSYKOA-ZIAGYGMSSA-N	290.202	4.856	70	10	CJIE	
CC[C@@H]1CCCC[C@H]1OCc1cccc([B-](F)(F)F)c1C	2283566649	TVHKYHRBWNXJRW-CZUORRHYSA-N	299.165	4.535	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(C)c(F)c1)CC2	160834635	UTBYTBMMMLAPIH-LIRRHRJNSA-N	283.390	4.781	70	10	CJIE	
CCN[C@@H](CC1CCCCC1)c1ccc(F)c(F)c1F	161003631	DZAICDRKLKTVLY-AWEZNQCLSA-N	285.353	4.725	70	10	CJIE	
CCCN[C@@H](CC)c1ccc(-c2cncc(C)c2)cc1	161020997	NBVNVDNZDKICKN-SFHVURJKSA-N	268.404	4.508	70	10	CJIE	
Cc1sc(-c2ccc(Cl)cc2)nc1Br	217251149	DCSBABTVCXDSOE-UHFFFAOYSA-N	288.597	4.534	70	10	CJIE	
CN[C@H]1CC[C@H](C)C[C@@H]1Cc1ccc(Cl)c(Cl)c1	217631402	BVJSVFCHKUUXDC-NVBFEUDRSA-N	286.246	4.560	70	10	CJIE	
C[C@H]1CCC[C@H]([C@@H](N)Cc2c(Cl)cccc2Cl)C1	217956524	ZTVFHRNGFIOSPH-PGUXBMHVSA-N	286.246	4.690	70	10	CJIE	
C[C@H]1CCCC[C@H]1CN[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218163027	DHTOWECYHNEQTM-YXISZKLHSA-N	263.469	4.617	70	10	CJIE	
CC(C)c1ccccc1NC(=O)NC=C1CCCCC1	218665340	AHHGJJOGTLZVRS-UHFFFAOYSA-N	272.392	4.780	70	10	CJIE	
Cc1ccc(OCCCCC[C@@H]2C[C@@H]2C)c([B-](F)(F)F)c1	2284872473	UTXWIHLDTMOKPA-UONOGXRCSA-N	299.165	4.645	70	10	CJIE	
C[C@@H](C[C@@H](O)c1cc2cc(F)ccc2o1)C(C)(C)C	159419409	XUYDJRURPOWWRY-GXFFZTMASA-N	264.340	4.678	70	10	CJIE	
Cc1ccc([C@H](N)Cc2ccc(Cl)cc2Cl)c(F)c1	160477041	HETWNOSYMUMVOR-OAHLLOKOSA-N	298.188	4.683	70	10	CJIE	
CO[C@]1(C(=O)c2ccc(C(C)(C)C)cc2)CCC[C@H](C)C1	161069204	PNHBBNKJDGSWFP-IFXJQAMLSA-N	288.431	4.762	70	10	CJIE	
CC(C)Cc1c(CN)oc2c(-c3ccccc3)cccc12	161157505	JGURGJNECZQRRH-UHFFFAOYSA-N	279.383	4.757	70	10	CJIE	
CCC[C@@H]1CC[C@H](NCC)[C@@H](Cc2cccc(F)c2)C1	217713288	YQVVGMBJKKTJFA-KYJSFNMBSA-N	277.427	4.563	70	10	CJIE	
CC[C@@H](C)C[C@@H](CC)N[C@H](c1ccccc1)C1CC1	217984301	WZFCBXKHFHYXPV-ZTFGCOKTSA-N	259.437	4.942	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@H](O)[C@@H](CCCc2ccccc2)C1	218304696	DAJCABRCKQJQLG-KSZLIROESA-N	274.448	4.833	70	10	CJIE	
CCN[C@@H]1CCCCCC[C@@H]1N(C)C1CCC(CC)CC1	218687607	ZIWNAOAKUBNGJN-GMNCBBECSA-N	294.527	4.588	70	10	CJIE	
Cc1cc(O[C@@H]2CC[C@@H](C)[C@@H](C)C2)c(C)c([B-](F)(F)F)c1	686553462	VEYRLTCIDBKDEU-MBNYWOFBSA-N	299.165	4.561	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@H]1c1c(Cl)cccc1Br	1885274442	LPPGPFBCVJJJEN-RITPCOANSA-N	298.318	4.807	70	10	CJIE	
CCC(CC)CCOc1cc(C)cc([B-](F)(F)F)c1C	2338169268	QEBVIRAWPRSHOM-UHFFFAOYSA-N	287.154	4.563	70	10	CJIE	
CCO[C@@H](c1nc(Cl)c(C)c(CC)n1)C1CCCCC1	160418247	QSYLOWXJJJCDPP-CQSZACIVSA-N	296.842	4.659	70	10	CJIE	
CCCc1c(CNC(C)C)oc2cc3c(cc12)CCCC3	161451940	GBCDCZSYQBQFEG-UHFFFAOYSA-N	285.431	4.762	70	10	CJIE	
CCC[C@H]1CC[C@@H](NC)[C@@H](Cc2ccc(Cl)cc2)C1	217708693	UGTHZRGZJXVIAP-YSVLISHTSA-N	279.855	4.687	70	10	CJIE	
CC[C@@H](N[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)c1ccc(F)cc1	218021182	DXOFBYSGMLIFIM-FLYCALMHSA-N	287.422	4.691	70	10	CJIE	
CCCN[C@H](c1cc(F)ccc1F)[C@H]1CCC[C@@H](C)C1	218025593	DDGRVRKZBXMCDS-IGCXYCKISA-N	281.390	4.832	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@@H](O)[C@@H](Cc2c(F)cccc2Cl)C1	218303969	HVOXDFYBKUTWCY-XHBSWPGZSA-N	298.829	4.845	70	10	CJIE	
CC[C@H]1CC[C@H](O)[C@@H](Oc2ccccc2[C@@H](C)CC)C1	218547548	AYHCHXONRUOWRC-DNUAJFIVSA-N	276.420	4.519	70	10	CJIE	
C=C(CCSc1ccc(Cl)cc1)[B-](F)(F)F	1959650294	FKAHDPQAVGPRQJ-UHFFFAOYSA-N	265.516	4.765	70	10	CJIE	
COc1ccc([C@@H]2C[C@H]2[B-](F)(F)F)c2ccccc12	2059004519	XWAPGNAYEKZDIM-QWHCGFSZSA-N	265.063	4.553	70	10	CJIE	
CC(C)(C)CC1CC(CN2CCC([B-](F)(F)F)CC2)C1	2274310547	AOCNQAATROISMB-UHFFFAOYSA-N	290.202	4.762	70	10	CJIE	
CC(C)=C(COCC[C@@H]1CCCC12CC2)[B-](F)(F)F	2317861926	SYLIVICAVLRGLZ-LBPRGKRZSA-N	275.143	4.696	70	10	CJIE	
CC(C)(C)C1CCC(N2CC[C@H]([B-](F)(F)F)C2)CC1	2319658569	SLYNWJRGVDPCSS-CPCZMJQVSA-N	276.175	4.515	70	10	CJIE	
C[C@@H]1CCCC[C@@H]1Oc1nc2ccccc2cc1CCl	20469272	QEMWWJXWKMUGPH-WBMJQRKESA-N	289.806	4.931	70	10	CJIE	
C[C@@H](C[C@@H](O)c1ccc(OC2CC2)cc1)CC(C)(C)C	159921214	HOKPCZQRCOEHNP-SUMWQHHRSA-N	276.420	4.724	70	10	CJIE	
CC[C@H]1Nc2ccc(Cl)cc2O[C@@H]1c1ccccc1	160573818	QXHZRSWWWHIDQA-CZUORRHYSA-N	273.763	4.664	70	10	CJIE	
CC[C@@H]1Nc2ccc(Cl)cc2O[C@@H]1c1ccccc1	160573936	QXHZRSWWWHIDQA-XJKSGUPXSA-N	273.763	4.664	70	10	CJIE	
Cc1ccc2ccccc2c1-c1ccc(Cl)cc1CN	160961981	LOZAWBNUTJYIFF-UHFFFAOYSA-N	281.786	4.927	70	10	CJIE	
CCc1ccc(C[C@@H](NC)c2cc(Cl)ccc2C)s1	161170864	LURGKRLQTIUJGH-MRXNPFEDSA-N	293.863	4.776	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)Cc1cccc(C)c1	161404169	JPMGMCQEFXCGFK-IBGZPJMESA-N	271.448	4.796	70	10	CJIE	
CC[C@@H]1CCC[C@@H]([C@@H](NN)c2cc3ccccc3s2)C1	217322431	CGMFBDMGMBNOBR-SUYBPPKGSA-N	288.460	4.622	70	10	CJIE	
CC[C@@H]1CC[C@@H](N)[C@@H](Cc2ccc(C(C)C)cc2)C1	217634748	RPLLGNBHORGHGQ-ZTFGCOKTSA-N	259.437	4.506	70	10	CJIE	
CN[C@H]1CC[C@@H](C(C)C)C[C@@H]1Cc1c(F)cccc1Cl	217788048	JUQFCRLXOFAFNI-XNJGSVPQSA-N	297.845	4.682	70	10	CJIE	
CCCCCC[C@@H](C)OCCN[C@H]1CCC[C@@H](C)C1	217911354	GONYWPNAILFFON-ZACQAIPSSA-N	269.473	4.530	70	10	CJIE	
C[C@H]1CCC[C@H]([C@@H](N)c2cccc(Cl)c2Cl)C1	217945685	FMRQLPQPGLCKPD-PKFCDNJMSA-N	272.219	4.820	70	10	CJIE	
Cc1cc(N(C)C)ccc1N[C@H]1C[C@H](C)CC[C@H]1C(C)C	218017139	STGHRXOGUAUOPC-LJHODMEESA-N	288.479	4.934	70	10	CJIE	
CCN[C@H]1CC[C@@H](C(C)(C)CC)C[C@@H]1N(CC)CC(C)C	218627626	QJZVSLMMWDHRET-SQNIBIBYSA-N	296.543	4.547	70	10	CJIE	
CC[C@H]1CC[C@@H](CN)[C@@H](Cc2ccc(C(F)(F)F)cc2)C1	218647981	QARCEHDKPVBLOZ-AEGPPILISA-N	299.380	4.649	70	10	CJIE	
Cc1cc(O[C@@H]2C=CCCCCC2)c(C)c([B-](F)(F)F)c1	686558513	QRECCXYLIPMBJD-CQSZACIVSA-N	297.149	4.626	70	10	CJIE	
CC(C)=C(COc1c(C)cc(C)cc1C)[B-](F)(F)F	2317853178	BBYQJTXOMUFMQW-UHFFFAOYSA-N	271.111	4.714	70	10	CJIE	
CCC[C@H]1CC[C@H](CN2CC[C@@](C)([B-](F)(F)F)C2)CC1	2342562850	CFYAEYZDVIEGGR-RBSFLKMASA-N	290.202	4.906	70	10	CJIE	
CCCCCCOCCCCCCBr	80397691	RDQBJOQJVHHNLV-UHFFFAOYSA-N	265.235	4.539	70	10	CJIE	
O[C@H](CC1=CCCCC1)Cc1nc(-c2ccccc2)cs1	161061596	LTPYDIFIBCJJES-MRXNPFEDSA-N	299.439	4.604	70	10	CJIE	
CCCN[C@@H](CC[C@H]1CCCCO1)CC1CCCCC1	161073794	IEUCBBJJWOCLHZ-ZWKOTPCHSA-N	281.484	4.674	70	10	CJIE	
Cc1cc(C)c(NC(=O)N/C=C/c2ccccc2C)c(C)c1	217669136	FIEXUGSHZJCHHX-MDZDMXLPSA-N	294.398	4.713	70	10	CJIE	
CC[C@@H]1CCCC[C@@H]1N[C@H](c1ccccc1)C(C)C	218154205	WNUUCMREIZBWCH-NJAFHUGGSA-N	259.437	4.942	70	10	CJIE	
CCNC[C@@H]1CC[C@@H](CC)C[C@@H]1Cc1cc(F)ccc1C	218342022	KVGVKAOGVNTUHO-SOLBZPMBSA-N	291.454	4.729	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](N)[C@@H](c2ccc(C(C)(C)C)cc2)C1	218509172	VQXCRIFYMDEBLX-NXHRZFHOSA-N	273.464	4.851	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](CN)[C@@H](c2ccc(C(F)(F)F)cc2)C1	218781223	AHJOJFVWXYLSQT-IIAWOOMASA-N	299.380	4.820	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCCN(CCCCCCC2CC2)C1	2218725441	JUXFJLPUNYYVLZ-CQSZACIVSA-N	276.175	4.660	70	10	CJIE	
F[B-](F)(F)[C@@]12C[C@H]1CCN(CCCC1=CCCCC1)C2	2340998825	VVASTKNMFBTHSM-HUUCEWRRSA-N	286.170	4.580	70	10	CJIE	
CC(C)Cc1cccc([C@H](O)[C@@H]2C[C@@H]2c2ccccc2)c1	159847544	ICIQYQWDOGTGCL-AQNXPRMDSA-N	280.411	4.722	70	10	CJIE	
CCCCC1CCC(CNC)(C[C@H]2CCC(C)(C)O2)CC1	160896421	MZFXKYIJFLNCGT-TVRKMHQQSA-N	295.511	4.920	70	10	CJIE	
CCCN[C@@H](CC1CC1)c1c(C)ccc2ccccc12	160933045	OOUMXKQCHWCANV-SFHVURJKSA-N	267.416	4.989	70	10	CJIE	
CN[C@@H](CC1CCCCC1)c1cc2c(s1)CCSC2	161007616	ADAYLEBUHXLDAI-AWEZNQCLSA-N	295.517	4.768	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](O)c1ccc(Cl)s1	161008555	NZTFADWBRUSHKD-INIZCTEOSA-N	288.799	4.945	70	10	CJIE	
Cc1cncc([C@@H]2C[C@@H](C(C)C)CC[C@@H]2CNC(C)C)c1	161038406	WAKLJPAJYUZGKA-YQVWRLOYSA-N	288.479	4.544	70	10	CJIE	
Cc1ccc(C(=O)c2cc3ccc(F)cc3s2)c(C)c1	161124898	UOLVFTBHZVPWQL-UHFFFAOYSA-N	284.355	4.888	70	10	CJIE	
CCc1ccc(C[C@H](N)c2ccc(C(C)(C)C)cc2)s1	161215730	JHALIFUYWWDPMO-KRWDZBQOSA-N	287.472	4.851	70	10	CJIE	
CCN[C@@H]1CC[C@H](CC)C[C@@H]1Cc1ccc(F)cc1Cl	217672979	DGBUNYLJJZKQCC-DXCKQFNASA-N	297.845	4.826	70	10	CJIE	
CCCN[C@@H](c1cc(F)cc(F)c1)[C@H]1CCC[C@@H](C)C1	218009852	HCHKFZZYNBXHRU-IIYDPXPESA-N	281.390	4.832	70	10	CJIE	
CC(C)Oc1ncccc1N[C@H]1C[C@H](C)CC[C@@H]1C(C)C	218136875	MRVYZTDPYAXDQT-INMHGKMJSA-N	290.451	4.742	70	10	CJIE	
CC[C@H]1CCCC[C@H]1O[C@H](c1cccc(C)c1)[C@H](N)CC	218246697	IXBFUULUFUJOLM-JCHJZTRSSA-N	289.463	4.759	70	10	CJIE	
CC[C@H](N)[C@@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)c1cccs1	218262567	KANKVVQWNXBFOL-HGTKMLMNSA-N	295.492	4.758	70	10	CJIE	
C[C@H]1CCC[C@@H](C)N1N[C@H](C)c1ccc(C(C)(C)C)cc1	218424775	GBDFPJRLUYLXHK-OWCLPIDISA-N	288.479	4.813	70	10	CJIE	
CCCN[C@H]1CCCC[C@@H]1O[C@@H]1C[C@@H](C)CC(C)(C)C1	218751406	KJEWJZFSGUAVRI-NCOADZHNSA-N	281.484	4.529	70	10	CJIE	
CCc1cc(Br)c([C@@H]2C[C@@H]2[B-](F)(F)F)s1	1885275792	XQPWAUTZFPZPHD-RQJHMYQMSA-N	297.956	4.778	70	10	CJIE	
F[B-](F)(F)C1CCN(Cc2cccc3ccccc23)CC1	2239553174	VLADYWPKGCBEAD-UHFFFAOYSA-N	292.133	4.653	70	10	CJIE	
CCC(CC)(CNC(C)(C)C)[C@@H]1C[C@H]1c1ccccc1	159426381	TZZXVTUEXTVDCV-DLBZAZTESA-N	273.464	4.985	70	10	CJIE	
Cc1cscc1[C@@H](N)c1c(C)ccc2ccccc12	160845911	HGRASQKJXLVEQY-QGZVFWFLSA-N	267.397	4.566	70	10	CJIE	
CC(C)CNCc1oc2c(F)cc(F)cc2c1CC(C)C	161223871	HNHYGYSHEDKERI-UHFFFAOYSA-N	295.373	4.655	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)C)C[C@@H]1Cc1cc(C)ccc1C	217786002	PNSYEZRNSFEOET-BHIYHBOVSA-N	273.464	4.506	70	10	CJIE	
CCC(CC)CN(CC)[C@@H](c1ccccc1C)[C@@H](N)CC	217813050	ZMKCMBAMZWSHKB-OALUTQOASA-N	290.495	4.532	70	10	CJIE	
CC(C)Oc1ccccc1N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218100273	GITFRHREDDRROY-ZNFSNMQZSA-N	285.431	4.710	70	10	CJIE	
CC[C@@H](C)[C@H](C)Oc1ccc2cc([B-](F)(F)F)ccc2c1	319571270	HFQFDCCPVWULGQ-NEPJUHHUSA-N	295.133	4.708	70	10	CJIE	
Cc1cc([C@@H]2C[C@H]2[B-](F)(F)F)sc1Br	1877885083	NEQFXWOGZGENNJ-PHDIDXHHSA-N	283.929	4.524	70	10	CJIE	
C[C@@H]1CCC[C@@H](Oc2nc3ccccc3cc2CCl)C1	20517654	TUZKUQOYGVPJND-IUODEOHRSA-N	289.806	4.931	70	10	CJIE	
CC[C@H](c1ccccc1)[C@@H](O)c1cc2cc(F)ccc2o1	159403387	YCALFMBHDPTYMR-CRAIPNDOSA-N	284.330	4.799	70	10	CJIE	
CCCCCC[C@H](NC)[C@]1(OCC)CCC[C@H](C)C1	159894992	QMWONJBNBCWDBJ-ULQDDVLXSA-N	269.473	4.530	70	10	CJIE	
CCSCC[C@H](C)N[C@H](CC(C)C)c1ccccc1	160019487	XRPFSOREOGTOIR-DOTOQJQBSA-N	279.493	4.895	70	10	CJIE	
CC(C)CC1([C@H](O)[C@@H]2C[C@@H]2c2ccccc2)CCCC1	160061813	YYPAZHUHBDKRBA-KZNAEPCWSA-N	272.432	4.758	70	10	CJIE	
Cc1cccc([C@@H](C)N[C@@H]2CCC(C)(C)C[C@H]2C)c1	160170335	VZNOIUQCVLTGIM-BFYDXBDKSA-N	259.437	4.860	70	10	CJIE	
CN[C@@H](c1ccc(C)c(C)c1)c1cc2ccc(F)cc2s1	161136472	PFONJGAWBDDHDE-SFHVURJKSA-N	299.414	4.966	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)C[C@@H]1Cc2ccccc21	161406274	NNKZMGAZPNHMAU-OALUTQOASA-N	283.459	4.975	70	10	CJIE	
CC[C@H](C)c1ccccc1NC(=O)NCC1CCCC1	217577021	PRVNTTPCKCYIOG-ZDUSSCGKSA-N	274.408	4.512	70	10	CJIE	
CN[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1CCC(C)(C)C	217768526	AJZVNEITQNHQMS-OKZBNKHCSA-N	273.464	4.985	70	10	CJIE	
CCCN[C@@H](Cc1ccc(F)cc1)[C@@H]1CCC[C@@H](C)C1	218027333	QGTQPHFXFMPQPH-KYJSFNMBSA-N	277.427	4.563	70	10	CJIE	
COc1ccc(F)cc1[C@@H](C)N[C@@H]1C[C@@H](C)CC(C)(C)C1	218038950	CBWKWVMGCPGSOV-UMVBOHGHSA-N	293.426	4.700	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1N[C@@H](C)[C@@H]1C[C@H]2C=C[C@H]1C2	218158032	PDAHOAAWOBCCGD-LOVVWNRFSA-N	275.480	4.638	70	10	CJIE	
C[C@@H]1C[C@H](N[C@H](C)Cc2ccc(F)cc2)CC(C)(C)C1	218204440	IYYQUZKAKWYVIH-CPUCHLNUSA-N	277.427	4.561	70	10	CJIE	
Cc1ccc([C@H](O[C@@H]2C[C@@H](C)CC(C)(C)C2)[C@H](C)N)s1	218262804	AROXILWGBZWVQS-UZMCECQYSA-N	295.492	4.676	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1Cc1cc(F)cc(F)c1	218649559	FSTWUXXPWVCWQJ-JJRVBVJISA-N	295.417	4.558	70	10	CJIE	
CC[C@@H]1CCCC[C@H]1O[C@@]1(CNC2CC2)CCC[C@@H](C)C1	218747529	IQDTVMRUYOFJHN-RWQQGDIJSA-N	293.495	4.673	70	10	CJIE	
CCC(=C[B-](F)(F)F)c1ccc(Br)cc1	1912964088	BEGNSCRKZLDAFA-UHFFFAOYSA-N	277.900	4.629	70	10	CJIE	
C=C(CCN(C)C1CCC(C2CCC2)CC1)[B-](F)(F)F	2107127327	WAGIKJMUYXSQNJ-UHFFFAOYSA-N	288.186	4.610	70	10	CJIE	
C=C(CCN(C)[C@@H]1CCC[C@H]2CCCC[C@@H]21)[B-](F)(F)F	2136425709	HIMJXRUXSHSAFQ-QLFBSQMISA-N	288.186	4.610	70	10	CJIE	
C=C(CCSC[C@H]1CCCCC1(F)F)[B-](F)(F)F	2248093548	ZNCQMHINCMORON-SNVBAGLBSA-N	287.126	4.878	70	10	CJIE	
CCCc1cccc([C@@H](O)c2ccc(C)c(Cl)c2)c1	159827190	XEUWYVWYVWUKLF-QGZVFWFLSA-N	274.791	4.683	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@]12CCNC[C@@H]2C1CCCC1	160113384	COSPLGAEYVVTFS-OWYHZJEWSA-N	277.496	4.865	70	10	CJIE	
CN[C@H](CC1CCCC1)c1c(C)ccc2ccccc12	160899995	IFRBJAARTCXNLR-GOSISDBHSA-N	267.416	4.989	70	10	CJIE	
Cc1ccc([C@]2(O)C[C@@H](C)CC[C@H]2C(C)C)cc1C	217867360	CIJFTANSHBAPRA-DOPJRALCSA-N	260.421	4.583	70	10	CJIE	
C[C@@H]1C[C@@H](O[C@H](C)C(=O)c2ccc(F)cc2)CC(C)(C)C1	218411367	BPACLEFVSKGKEU-XJKCOSOUSA-N	292.394	4.628	70	10	CJIE	
C[C@@H]1CCC[C@H](CCN2CCC[C@@H]([B-](F)(F)F)C2)C1	2253936905	GANZSBLWGUARJQ-MGPQQGTHSA-N	276.175	4.516	70	10	CJIE	
Cc1ccc(C[C@@H](CNC(C)C)C2CCCC2)cc1C	159966815	LSKRLYUIXCVHKG-IBGZPJMESA-N	273.464	4.650	70	10	CJIE	
CCSCC[C@@H](C)Nc1ccc2ccccc2c1	160329049	XRNMHKLZVMSZLV-CYBMUJFWSA-N	259.418	4.783	70	10	CJIE	
CNCc1oc2c(C(C)(C)C)cc(C)cc2c1CC(C)C	161175271	BHFDTXFHPWOMCL-UHFFFAOYSA-N	287.447	4.957	70	10	CJIE	
CCC[C@H]1CC[C@@H](NC)[C@@H](Cc2ccccc2Cl)C1	217709643	UWEIPPUUHADGFI-YSVLISHTSA-N	279.855	4.687	70	10	CJIE	
CCCN[C@@H]1CC[C@H](CCC)C[C@@H]1Cc1cccc(F)c1	217729187	VBTUIWZRRJGUIR-KVSKMBFKSA-N	291.454	4.953	70	10	CJIE	
CCCN[C@@H](c1ccc(F)c(F)c1)[C@@H]1CCC[C@@H](C)C1	218008364	SVQHNLULIVOFMF-PBFPGSCMSA-N	281.390	4.832	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)C)C[C@@H]1Oc1ccccc1C(C)C	218777557	LDRSXTIUOLGVKU-SUMDDJOVSA-N	289.463	4.602	70	10	CJIE	
C=C(CCS[C@@H]1CCC[C@H](C)C1)[B-](F)(F)F	1959654282	YDBJDYYGLWBUOP-GXSJLCMTSA-N	251.146	4.631	70	10	CJIE	
Cc1sc([C@H]2C[C@H]2[B-](F)(F)F)c(C)c1Br	2209573660	ICOSRXOZZZVEPC-NKWVEPMBSA-N	297.956	4.832	70	10	CJIE	
CC(C)=C(CN(Cc1cccs1)C(C)C)[B-](F)(F)F	2317840650	XQKSAHWKULRAJS-UHFFFAOYSA-N	290.183	4.682	70	10	CJIE	
CCC[C@H]1CCCCN(CC(=C(C)C)[B-](F)(F)F)C1	2317849901	SAPHUUXZGNWKBT-ZDUSSCGKSA-N	276.175	4.612	70	10	CJIE	
CCCNc1cc(Oc2ccc(Cl)c(CC)c2)ccn1	159378451	OXBXHFALLCNVHP-UHFFFAOYSA-N	290.794	4.912	70	10	CJIE	
N[C@@H](c1csc2ccccc12)C1C2CC3CC(C2)CC1C3	160128325	JWFVFBZMVACKOM-YRECDURFSA-N	297.467	4.973	70	10	CJIE	
CN[C@H](Cc1ccc(F)cc1Cl)CC1CCCCCC1	160556250	UQGNJTOSJHGPFJ-INIZCTEOSA-N	297.845	4.970	70	10	CJIE	
Cc1ccc2c(c1)[C@](O)(Cc1csc3ccccc13)CC2	160918761	ZHNQHVSTTBPARK-LJQANCHMSA-N	294.419	4.586	70	10	CJIE	
C[C@@H](N[C@H](c1cccs1)C1CC1)[C@@H]1C[C@@H]2CC[C@@H]1C2	218068764	WFWNTDOUWKEHSP-BOGLJMFRSA-N	275.461	4.614	70	10	CJIE	
CC[C@@H](C)[C@H](C)N[C@H](c1ccc(F)cc1)C(C)C	218092311	XMTFZVKABNFBLZ-WWGRRREGSA-N	251.389	4.547	70	10	CJIE	
CCC(CC)[C@@H](N[C@H]1C[C@@H]2CC=C[C@H]21)c1ccccc1	218243434	CSSUXVLBYXKPOH-ZSYWTGECSA-N	269.432	4.718	70	10	CJIE	
F[B-](F)(F)/C=C/c1ccc(C(F)(F)F)c(Cl)c1	393625144	KNHKHCBSJZOXSF-ONEGZZNKSA-N	273.392	4.759	70	10	CJIE	
CCCC[C@H](CC)CN1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2073772168	NJZHRAPBDJDLAQ-MELADBBJSA-N	276.175	4.516	70	10	CJIE	
Cc1ccc(OCC[C@@H]2CCC[C@@H](C)C2)c([B-](F)(F)F)c1	2279817368	QATBPVSYTXDDOL-OCCSQVGLSA-N	299.165	4.645	70	10	CJIE	
CC(C)=C(CN1CCC[C@@H]1c1ccsc1)[B-](F)(F)F	2317848492	SCCRBAGYFBIADW-CYBMUJFWSA-N	288.167	4.608	70	10	CJIE	
CCNC[C@H](Cc1cccc(C(F)(F)F)c1)C1CCCC1	159937944	YQVBYPNYKSMBSQ-HNNXBMFYSA-N	299.380	4.664	70	10	CJIE	
CSc1ccccc1[C@@H](O)c1ccccc1C1CCC1	160008654	AHYFLMJGWCCRQH-SFHVURJKSA-N	284.424	4.758	70	10	CJIE	
CC(C)c1ccc([C@@H](N)C2C3CC4CC(C3)CC2C4)cc1	160140355	YCBTZGJGCYNXAQ-WALIIPOLSA-N	283.459	4.882	70	10	CJIE	
CCc1ccc([C@H]2Oc3cc(Cl)ccc3N[C@@H]2C)cc1	160563854	XWEATRABHUJLSG-DIFFPNOSSA-N	287.790	4.837	70	10	CJIE	
Cc1cc(C(=O)c2cc3ccc(F)cc3s2)ccc1F	161129903	IFSMKTNFCBBJIO-UHFFFAOYSA-N	288.318	4.719	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)Cc1ccc(C)cc1	161410285	ZJGUMHGJMMWLRQ-LJQANCHMSA-N	271.448	4.796	70	10	CJIE	
C[C@H]1C[C@H](NCC(C2CC2)C2CC2)c2ccsc2S1	217001311	DLFRSCSYYRJRQQ-BONVTDFDSA-N	293.501	4.699	70	10	CJIE	
CCCN[C@@H]1c2ccccc2C[C@@H]1C[C@@H](C)CCC	217624247	PPQFJMGOIUCNNT-ZVZYQTTQSA-N	259.437	4.726	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@@H](N)[C@@H](Cc2cccc(Cl)c2)C1	217747315	ASFCMDQKTOKWKH-SQWLQELKSA-N	279.855	4.672	70	10	CJIE	
CC[C@@H](C)[C@@H](c1ccccc1)[C@@H](O)c1sccc1C	218305343	SZIJFJDHOKIODG-UHOFOFEASA-N	274.429	4.920	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)N(C)C1CCCCC1	218634934	FJJQGXOKSLBRPD-DJIMGWMZSA-N	295.467	4.848	70	10	CJIE	
C=C(CCOc1c(C)cc(Cl)cc1C)[B-](F)(F)F	1999703058	VVAKYTAFZKCQJN-UHFFFAOYSA-N	277.502	4.669	70	10	CJIE	
CCNc1cc(Oc2ccc(C)cc2C(C)(C)C)ccn1	159369032	ZDGKYQGGJKAVQA-UHFFFAOYSA-N	284.403	4.912	70	10	CJIE	
CC(C)NC[C@H](c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1	159449745	SDDUHSUGXYWASC-VAMGGRTRSA-N	279.427	4.572	70	10	CJIE	
C[C@@H](C[C@H](O)c1ccc(OC2CC2)cc1)CC(C)(C)C	159920930	HOKPCZQRCOEHNP-GUYCJALGSA-N	276.420	4.724	70	10	CJIE	
CCc1cccc2c(C(=O)c3cccc(C)c3Cl)c[nH]c12	160264245	AOEZYUSFCPUJDQ-UHFFFAOYSA-N	297.785	4.923	70	10	CJIE	
CO[C@@H](c1nc(Cl)cc(CC(C)C)n1)C1CCCCC1	160512195	IQOOSDSUXGIBGX-OAHLLOKOSA-N	296.842	4.596	70	10	CJIE	
CCN[C@@H](c1c(C)ccc2ccccc12)[C@@H](C)CC	160920056	WZKYCKNSKOZHAO-SCLBCKFNSA-N	255.405	4.845	70	10	CJIE	
CCCN[C@H](CC1CC1)c1c(C)ccc2ccccc12	160933147	OOUMXKQCHWCANV-GOSISDBHSA-N	267.416	4.989	70	10	CJIE	
Cc1ccccc1[C@H](NCCCC1CC1)c1ccccc1	161360902	AMGMDOCOYLYJCF-HXUWFJFHSA-N	279.427	4.864	70	10	CJIE	
CCCN[C@@H](Cc1ccccc1Cl)[C@@H]1CCCCS1	161410184	LYANIGRGUCFOFR-HOTGVXAUSA-N	297.895	4.536	70	10	CJIE	
CC(C)[C@H](N)c1ccc2c(c1)C(C)(C)CCC2(C)C	161479048	QYQGPRNOZSGYNV-INIZCTEOSA-N	259.437	4.691	70	10	CJIE	
CCC[C@H]1CC[C@H](NC)[C@@H](CCCOc2ccccc2)C1	217699762	SBMACLFFSIRMDG-LNLFQRSKSA-N	289.463	4.650	70	10	CJIE	
CCC[C@H]1CC[C@H](NCC)[C@@H](Cc2ccc(F)cc2)C1	217728613	AVMBMJJTVGCVCJ-LESCRADOSA-N	277.427	4.563	70	10	CJIE	
Cc1ccc(N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1C	218070245	SJPXAWLVHPYOOV-YXJHDRRASA-N	257.421	4.930	70	10	CJIE	
CC[C@H]1CC[C@@H](O)[C@@H](Cc2cccc3ccccc23)C1	218288673	CHCKUJIUIPRHCJ-POZUXBRTSA-N	268.400	4.570	70	10	CJIE	
CC(C)=C(CN(C)[C@H](C)C1CCCCC1)[B-](F)(F)F	2317846436	XQSDLANHPPTYPD-GFCCVEGCSA-N	276.175	4.610	70	10	CJIE	
CC(C)NC[C@H](CCCOc1ccccc1)C1CCCC1	159972630	BYZHFCRHXLSEDY-SFHVURJKSA-N	289.463	4.650	70	10	CJIE	
CC[C@H](c1ccccc1)[C@H](N)Cc1ccc(F)cc1Cl	160584803	BIEAEJFVOMKDQC-NVXWUHKLSA-N	291.797	4.543	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1cc(Cl)ccc1OC	161349566	QCAARLVREDEMDK-INIZCTEOSA-N	293.838	4.890	70	10	CJIE	
C[C@H]1CC([C@@H](NN)c2ccc(C(C)(C)C)cc2)C[C@H](C)C1	217317626	PGLHERPWYPYNJS-LBTNJELSSA-N	288.479	4.561	70	10	CJIE	
FC(F)(F)c1ccc(Cl)c(N[C@@H]2C[C@H]3CC=C[C@H]32)c1	217798682	VQUDUDZKCBQDSA-HLUHBDAQSA-N	287.712	4.735	70	10	CJIE	
CCCN[C@@H](CCc1ccccc1)[C@@H]1CCC[C@@H](C)C1	218032295	WKUYCHIUHDGBOZ-QRQLOZEOSA-N	273.464	4.814	70	10	CJIE	
CCC1(CC)C[C@H](N[C@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CCO1	218645408	VQDPFHBSAYNCIH-DFGXFYAUSA-N	293.495	4.529	70	10	CJIE	
C[C@@H]1CCC[C@H](CCN2CC[C@](C)([B-](F)(F)F)C2)C1	2319729487	FTDJZMVRJNJVTK-MCIONIFRSA-N	276.175	4.516	70	10	CJIE	
CC(C)(C)CCC(=O)c1csc(Br)c1	159609758	KHDOXFQALNNCPZ-UHFFFAOYSA-N	275.211	4.520	70	10	CJIE	
COc1cc(N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)ccc1F	160051222	PLLFAGUMWDEAKY-IVMMDQJWSA-N	279.399	4.707	70	10	CJIE	
CCN[C@H](Cc1ccccc1C)c1cccc(C)c1Cl	160359681	FKYUXCAUMDTLAQ-QGZVFWFLSA-N	287.834	4.850	70	10	CJIE	
CCCN[C@@H](CC1CCCCC1)c1ccc(F)c(OC)c1	160980366	UTSMEQSXZVJCLA-KRWDZBQOSA-N	293.426	4.845	70	10	CJIE	
Cc1cc(C)c2c(CC(C)C)c(CNC3CC3)oc2c1C	161215501	NZNRQIBORFVSFI-UHFFFAOYSA-N	285.431	4.809	70	10	CJIE	
CCOc1cccc2c(CC(C)C)c(CNC(C)C)oc12	161347448	GPTRZTMEMORSFI-UHFFFAOYSA-N	289.419	4.528	70	10	CJIE	
CN[C@H]1CC[C@H](C(C)(C)C)C[C@@H]1Cc1ccccc1Cl	217760151	PLBWGOPPNKDECX-ZOBUZTSGSA-N	293.882	4.933	70	10	CJIE	
CCCC[C@H](CC)C[C@@]1(O)C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217871453	RDXUUXTZWRJMOY-SJUNHDGSSA-N	264.453	4.780	70	10	CJIE	
CCCC(CCC)N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218073638	FRPANLMKETUEHC-YSVLISHTSA-N	251.458	4.760	70	10	CJIE	
Cc1cc(N(C)C)ccc1N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218116932	BOVBZMURZJHHQC-POZUXBRTSA-N	286.463	4.688	70	10	CJIE	
C[C@@H]1CCCC[C@@H]1CN[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218162782	DHTOWECYHNEQTM-XLKGFZLASA-N	263.469	4.617	70	10	CJIE	
CC[C@@H]1CC[C@@H](O)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	218282963	ATIWAGHHCFIDJY-QGPMSJSTSA-N	274.448	4.714	70	10	CJIE	
CCNC[C@@H]1CC[C@H](CC)C[C@@H]1Cc1cc(F)cc(F)c1	218726602	FCGKXRMVABUUHU-CWRNSKLLSA-N	295.417	4.559	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CNC)[C@@H](Cc2cc(F)cc(F)c2)C1	218726824	FKUYNFZSVJKDPZ-VNQPRFMTSA-N	295.417	4.559	70	10	CJIE	
Fc1cc(Cl)c(Cl)cc1/C=C\[B-](F)(F)F	382632453	FZQUHCWEODQCDT-UPHRSURJSA-N	257.830	4.532	70	10	CJIE	
Cc1cc(O[C@@H]2CC[C@H](C)[C@@H](C)C2)c(C)c([B-](F)(F)F)c1	686553464	VEYRLTCIDBKDEU-SGMGOOAPSA-N	299.165	4.561	70	10	CJIE	
CC(C)c1ccc(CN2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)cc1	2194161140	VJDBZHOSFUIHMB-HZPDHXFCSA-N	296.165	4.623	70	10	CJIE	
C[C@@H]1C[C@H]1CCCCCN1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2334451265	OEWKOSLJVXOLAH-TUVASFSCSA-N	288.186	4.516	70	10	CJIE	
CCOC1(C(=O)C2CCC(CC)CC2)CCCCCC1	161358184	CUBRBTBMAJVSED-UHFFFAOYSA-N	280.452	4.901	70	10	CJIE	
CCCN[C@H](C1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCCCS1	161448572	JQFUKVKCEGNJNI-BFZKSOEOSA-N	283.525	4.713	70	10	CJIE	
Cc1c(Cl)nc(C(C)C)nc1O[C@@H]1CC[C@@H](C)[C@@H](C)C1	217541910	MIUYQIBRVYLDHV-NTZNESFSSA-N	296.842	4.765	70	10	CJIE	
C[C@H]1C[C@H]1c1ccc(CN[C@H](c2ccccc2)C2CC2)o1	217736116	UZVSHJBURDSXKD-BOFPYLFWSA-N	281.399	4.644	70	10	CJIE	
CCCC1CCC(CN2CCC([B-](F)(F)F)CC2)CC1	2231060156	PVFWHUVNBAIEDE-UHFFFAOYSA-N	290.202	4.906	70	10	CJIE	
CCCCC[C@@H](NCC)c1ccc(OC(F)(F)F)cc1	159699944	MPAJEWHBBAHGGL-CQSZACIVSA-N	289.341	4.816	70	10	CJIE	
CCCC[C@H](CC)COc1ccc([B-](F)(F)F)c(C)c1	216030070	VSYWJUOSIDQXRT-ZDUSSCGKSA-N	287.154	4.645	70	10	CJIE	
CCC[C@@H]1CC[C@H](NC)[C@@H](Cc2ccccc2Cl)C1	217709740	UWEIPPUUHADGFI-UNEWFSDZSA-N	279.855	4.687	70	10	CJIE	
CN[C@@H](c1cccc(Cl)c1F)[C@@H]1CCC[C@@H](C)C1	218730610	DYGSRGCDSNXUHE-UEKVPHQBSA-N	269.791	4.566	70	10	CJIE	
C=C(CCSC1CCC(F)(F)CC1)[B-](F)(F)F	1978067969	RJGSYMNPKWTPSF-UHFFFAOYSA-N	273.099	4.630	70	10	CJIE	
CCNCc1sc([C@H]2CCC[C@H](CC)C2)nc1C1CC1	159457839	PVAJVFKDEOICEW-JSGCOSHPSA-N	292.492	4.814	70	10	CJIE	
CC(C)CC1([C@H](O)c2cccc3c2OCCC3)CCCC1	159755214	SNBMDDMIUDMOPK-GOSISDBHSA-N	288.431	4.652	70	10	CJIE	
Clc1cccc2c1O[C@H](c1cc3ccccc3o1)CN2	160548561	ZKGQKOYHUFWENE-HNNXBMFYSA-N	285.730	4.632	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](N[C@@H](c1ccccc1)C(C)C)CC2	160780259	CSVZQLJOPYVENK-VQTJNVASSA-N	279.427	4.969	70	10	CJIE	
CCN[C@H](Cc1ccc(Cl)s1)c1ccccc1CC	160918831	OSIVMFGEZRGEBN-OAHLLOKOSA-N	293.863	4.857	70	10	CJIE	
CCN[C@@H](Cc1ccc(CC)s1)c1cccc(C)c1F	161202811	ZMNSRSKKZDGQLF-INIZCTEOSA-N	291.435	4.651	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1cc(C)ccc1OC	161313490	LLDWELYLWOYDDW-QGZVFWFLSA-N	273.420	4.545	70	10	CJIE	
CCOC1(C(=O)[C@@H]2CCCC[C@H]2CC)CCCCCC1	161336890	MCIFZBDHIYKGBC-HZPDHXFCSA-N	280.452	4.901	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1Cc1ccccc1Cl	217760073	PLBWGOPPNKDECX-YQQAZPJKSA-N	293.882	4.933	70	10	CJIE	
COc1ccc([C@@H](N[C@H]2CCC[C@@H](C)[C@@H]2C)C2CC2)cc1	217891260	IDZMTPDBRIOYCR-WXRFYESLSA-N	287.447	4.561	70	10	CJIE	
CCCN[C@@H](c1ccccc1F)[C@@H]1CCC[C@@H](C)C1	218034011	VFSVEWJSUFLYLL-CKEIUWERSA-N	263.400	4.693	70	10	CJIE	
CCCCN([C@@H](C)[C@@H](NC)c1ccc(C)cc1)[C@H](C)CC	218700129	WYNPNEKROHIICF-ZIFCJYIRSA-N	290.495	4.545	70	10	CJIE	
CCCCC[C@H](NCC)c1c(F)c(F)c(F)c(F)c1F	159637974	YLPSUPNYQZTMJR-QMMMGPOBSA-N	295.295	4.613	70	10	CJIE	
C[C@H](C[C@H](O)c1cccc2c1OCCC2)CC(C)(C)C	159752251	QZCYAHDJXJJCQV-CJNGLKHVSA-N	276.420	4.507	70	10	CJIE	
Clc1ccc2c(c1)O[C@@H](c1cc3ccccc3o1)CN2	160578249	FJTDRCQNAXKGQL-MRXNPFEDSA-N	285.730	4.632	70	10	CJIE	
CCN[C@@H](c1c(C)ccc2ccccc12)C1CCC1	160926292	YRADLJFJEWZCPR-GOSISDBHSA-N	253.389	4.599	70	10	CJIE	
CCN[C@H](c1occc1C)c1c(C)ccc2ccccc12	160927032	FBVMQIIKXYBIGZ-SFHVURJKSA-N	279.383	4.749	70	10	CJIE	
Cc1ccc2cc(C(=O)CC3=CCCCC3)ccc2n1	161012988	BRCXMXQQFCTDDQ-UHFFFAOYSA-N	265.356	4.616	70	10	CJIE	
Cc1cc(Cl)c(C(C)C)cc1OC[B-](F)(F)F	203448930	NZTRELJXFFCPMH-UHFFFAOYSA-N	265.491	4.537	70	10	CJIE	
CCC[C@H]1CC[C@@H](N)[C@@H](Cc2cccc3ccccc23)C1	217690194	USQANKFVVGSQLT-QKYXUNIQSA-N	281.443	4.926	70	10	CJIE	
CCN[C@@H](c1ccc(OCC)cc1)[C@H]1CCC[C@@H](C)C1	217977751	BFLDSMOADLYNBX-HFTRVMKXSA-N	275.436	4.562	70	10	CJIE	
CC[C@H](N)[C@@H](S[C@H](C)CC)c1cccc(Cl)c1	218720388	YDGWEYICYDHXRA-SWHYSGLUSA-N	271.857	4.650	70	10	CJIE	
F[B-](F)(F)/C=C/c1cccc(OCc2ccccc2)c1	309611841	NOKVVTNVCVAQET-MDZDMXLPSA-N	277.074	4.665	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@H]1c1cccc(Cl)c1Br	1885274165	JHJMUKZWVXSMHK-BQBZGAKWSA-N	298.318	4.807	70	10	CJIE	
CCSCC[C@@H](C)NCc1c(Cl)oc2ccccc12	160073520	YPQOLKWMRYOTTK-LLVKDONJSA-N	297.851	4.708	70	10	CJIE	
N[C@@H](CCC1CCCCC1)Cc1ccc(F)cc1Cl	160547058	ZURSLTJUVNDOHP-HNNXBMFYSA-N	283.818	4.709	70	10	CJIE	
CNCc1ccc(-c2c(C)ccc3ccccc23)c(C)c1	160963605	KBVHDMUKDGYYSU-UHFFFAOYSA-N	275.395	4.843	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](O)c1sccc1Cl	160996015	ZONFHGHLXMHDIV-OAHLLOKOSA-N	288.799	4.945	70	10	CJIE	
C[C@H]1CC[C@@H](CN)[C@@H](Cc2cc(Cl)ccc2Cl)C1	218629678	PTCGLPBDGYTXMF-SDDRHHMPSA-N	286.246	4.547	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCCN(Cc2ccc3ccccc3c2)C1	2190461169	RAJKFGIFEASQOL-MRXNPFEDSA-N	292.133	4.653	70	10	CJIE	
CCSCC[C@H](C)N[C@@H](CC(C)C)c1ccccc1	160019267	XRPFSOREOGTOIR-RDJZCZTQSA-N	279.493	4.895	70	10	CJIE	
COC1(C(=O)c2cccc3ccsc23)CCC(C)CC1	160936057	YVVOYCKWLGHEPI-UHFFFAOYSA-N	288.412	4.679	70	10	CJIE	
CCN[C@H](CC1CCCCC1)c1cc2c(s1)CCC2	161080438	ZPMIGLQGTBXRDH-OAHLLOKOSA-N	277.477	4.858	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)c1cc(Cl)ccc1N	161105878	LVMFYBLUDOTMFZ-UHFFFAOYSA-N	295.769	4.615	70	10	CJIE	
O[C@H](c1ccc(C2CCC2)cc1)c1cc(F)cc(Cl)c1	161196027	IHUBRIXFLIZZQL-QGZVFWFLSA-N	290.765	4.828	70	10	CJIE	
C[C@H]1C[C@H](Nc2ccccc2F)c2ccsc2S1	216998908	WMMCVADFZQOZOI-ZANVPECISA-N	279.405	4.925	70	10	CJIE	
CC(C)[C@H]1CC[C@H](N)[C@@H](Cc2ccc(C(F)(F)F)cc2)C1	217775754	UVVHIRXHWDIFPD-DZKIICNBSA-N	299.380	4.648	70	10	CJIE	
Cc1ccc(N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c(C)c1O	218076561	XEARSJMLQGHUCX-DDUZABMNSA-N	273.420	4.636	70	10	CJIE	
CCCC[C@@H](CC)CO[C@@H](c1cccc(F)c1)[C@@H](N)CC	218268436	ODPYGDDVLJMZNB-JLSDUUJJSA-N	295.442	4.837	70	10	CJIE	
CC(C)CNCC1([C@@H]2C[C@@H]2c2ccccc2)CCCCC1	159410746	HZXRCFKUAARJEG-RTBURBONSA-N	285.475	4.986	70	10	CJIE	
O[C@H](c1cc2cccc(Cl)c2o1)C1[C@H]2CCCC[C@H]12	159678117	SUKLAGRCODNTFP-ZIBATOQPSA-N	276.763	4.556	70	10	CJIE	
CN[C@H](c1ccccc1C)c1c(C)ccc2ccccc12	160904966	IZYGGVPXTPBLGP-HXUWFJFHSA-N	275.395	4.765	70	10	CJIE	
CCc1ccc([C@H](N)c2cc3ccc(F)cc3s2)cc1	161131028	KWSBPDIOMUOMLJ-KRWDZBQOSA-N	285.387	4.651	70	10	CJIE	
Cc1cc(C)c(C(=O)C[C@@H](C)c2ccccc2)c(C)c1	216687322	ALFWNSQDJZRXJX-CQSZACIVSA-N	266.384	4.988	70	10	CJIE	
Cc1cccc(C(C)C)c1NC(=O)Nc1ccccc1F	217268484	QVKVYAZBSYWBBU-UHFFFAOYSA-N	286.350	4.902	70	10	CJIE	
CCCc1nc(Cl)c(C)c(O[C@@H]2CC[C@H](C)[C@@H](C)C2)n1	217543022	NKALKPNIKITODW-GMXVVIOVSA-N	296.842	4.594	70	10	CJIE	
CCC(CC)CN(CC)[C@@H](c1ccc(C)s1)[C@@H](N)CC	217812688	GZXCOXRKDWUCDN-DOTOQJQBSA-N	296.524	4.593	70	10	CJIE	
CCCCCN(C)[C@H](CC)[C@@H](NCCC)c1ccccc1	218631568	QXLCQMWWXNGEID-MOPGFXCFSA-N	290.495	4.628	70	10	CJIE	
CCCCN(CC(=C(C)C)[B-](F)(F)F)[C@@H](C)CC	2301964017	HFGFTPARXCBXLV-LBPRGKRZSA-N	264.164	4.610	70	10	CJIE	
CCSCC[C@@H](C)N[C@H]1c2ccccc2CCC1(C)C	159944319	FGSCLUHADIIRND-PBHICJAKSA-N	291.504	4.821	70	10	CJIE	
CC(C)(C)NC[C@H](CCOc1ccccc1)C1CCCC1	159997949	BLFBUXMSORVSPG-KRWDZBQOSA-N	289.463	4.650	70	10	CJIE	
Cc1cccc([C@@H](C)N[C@H]2C[C@@H](C)CC(C)(C)C2)c1	160165966	GOQJSEHINBUEAO-INMHGKMJSA-N	259.437	4.860	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)Cc1cccc(F)c1Cl	161267317	YJQHSKJMOOYNMN-AWEZNQCLSA-N	281.802	4.500	70	10	CJIE	
CCCOc1cccc2c(CC(C)C)c(CNCC)oc12	161397676	HMJUPUGTAVNOAD-UHFFFAOYSA-N	289.419	4.530	70	10	CJIE	
CCN[C@H]1CC[C@H](CC)C[C@@H]1Cc1c(C)cc(C)cc1C	217662114	WFGPICQASJSQRP-NSHGMRRFSA-N	287.491	4.959	70	10	CJIE	
C[C@H](N[C@H](c1ccccc1)C1CC1)[C@@H]1C[C@@H]2CC[C@@H]1C2	218069537	IAUDKCOLFQVMPM-JCZGSWPSSA-N	269.432	4.552	70	10	CJIE	
COc1ccc(Cl)c(N[C@@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c1	218166864	FMUHZKYSHFSWTJ-LDYHSIQDSA-N	291.822	4.585	70	10	CJIE	
O=C(NC=C1CCCCC1)Nc1cc(Cl)ccc1Cl	218665549	JRISLWCMKUAMQL-UHFFFAOYSA-N	299.201	4.963	70	10	CJIE	
CC(C)C[C@H](CNC(C)(C)C)[C@H]1C[C@@H]1c1ccccc1	159384481	ILMLBURQYCLGMF-KZNAEPCWSA-N	273.464	4.841	70	10	CJIE	
CC(C)c1ccc([C@H]2CCNC[C@@H]2C2CCCC2)cc1	160115090	SMHVYPBWQJSABS-RTBURBONSA-N	271.448	4.693	70	10	CJIE	
FC(F)(F)c1cccc([C@@H]2CCNC[C@@H]2C2CCCC2)c1	160122184	FOHOIWYWNJWDKS-JKSUJKDBSA-N	297.364	4.589	70	10	CJIE	
O=C(N1CCCCC1)N(C1CCCCC1)C1CCCCC1	160307007	PNSVMPZZCKZBLH-UHFFFAOYSA-N	292.467	4.560	70	10	CJIE	
CCCN[C@@H]1CC[C@H](C(C)C)C[C@@H]1C[C@@H]1CCC(C)(C)O1	160593809	YQLAXQYENKFFTA-XWTMOSNGSA-N	295.511	4.775	70	10	CJIE	
CCCCC1CCC(CN)(C[C@@H]2CCC(C)(C)O2)CC1	160889845	NRRJPCNABBLHTM-PQUAAJSLSA-N	281.484	4.660	70	10	CJIE	
CCCc1c(CN)oc2c(-c3ccccc3)cccc12	161157916	PLFAEAZZQXFEGU-UHFFFAOYSA-N	265.356	4.511	70	10	CJIE	
CCOC1(C(=O)c2csc(C)c2)CCC(C)(C)CC1	161261667	DLIWGTBFRNMKLT-UHFFFAOYSA-N	280.433	4.615	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1C(=O)C1(OC)CCC(C)(C)CC1	161266518	LJZYJXUTJKGJBQ-GJZGRUSLSA-N	280.452	4.757	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1N[C@@H]1C[C@@H]1c1ccccc1	218172053	KIVWOBMJDAOCGQ-BHNDVYRESA-N	271.448	4.593	70	10	CJIE	
COc1cc([C@H]2C[C@H](C(C)(C)C)CC[C@@H]2N)ccc1Cl	218549084	WTPMLIAIEHMMGP-NFAWXSAZSA-N	295.854	4.606	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@H]1c1cccc(Br)c1Cl	1885275610	WGRVSBNLCORYID-NKWVEPMBSA-N	298.318	4.807	70	10	CJIE	
CC(C)=C(COC[C@@H]1C[C@H]1C1CCCC1)[B-](F)(F)F	2317850781	CLTFUYJWJFLELF-STQMWFEESA-N	275.143	4.552	70	10	CJIE	
Cc1c(C(=O)OC(C)(C)C)csc1-c1ccccc1F	159503623	QNXNDEOFKBONQG-UHFFFAOYSA-N	292.375	4.818	70	10	CJIE	
CCNCc1sc([C@@H]2CCC[C@H](C)C2)nc1CC(C)C	159772563	OIWFETBRIWJYPP-UONOGXRCSA-N	294.508	4.745	70	10	CJIE	
Cc1cccc([C@H](O)c2cccc3ccccc23)c1Cl	160423256	JSLZXERZADWXJV-GOSISDBHSA-N	282.770	4.883	70	10	CJIE	
Cc1ccsc1C(=O)c1cc2ccc(F)cc2s1	160954489	XXMQXEHJTVIKOA-UHFFFAOYSA-N	276.357	4.641	70	10	CJIE	
Cc1cc([C@H](O)c2c(C)ccc3ccccc23)sc1C	160997032	CLERQXWAMBHZOK-SFHVURJKSA-N	282.408	4.908	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](O)c1ccc(Cl)s1	161008447	NZTFADWBRUSHKD-MRXNPFEDSA-N	288.799	4.945	70	10	CJIE	
C[C@@H]1CC[C@H](C(C)(C)c2cc(F)ccc2Cl)[C@@H](O)C1	218512950	IFRVIOWGTRTUAX-GMXABZIVSA-N	284.802	4.554	70	10	CJIE	
C=CCCCCCCOc1ccc(C)cc1[B-](F)(F)F	2141920339	DQHDSNMEMKQZNZ-UHFFFAOYSA-N	285.138	4.565	70	10	CJIE	
CCCCC[C@H](NCC)C1C2CC3CC(C2)CC1C3	159615140	OAEULQZFIUEGJR-NFSPANSCSA-N	263.469	4.617	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1cccc(F)c1F	161354779	SIBXJLHNWYHEQY-HNNXBMFYSA-N	265.347	4.506	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NCC)[C@@H](Cc2ccccc2C)C1	217721678	GKXPSPVTBJLVCL-BHIYHBOVSA-N	273.464	4.732	70	10	CJIE	
Cc1nc([C@H](C)N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c(C)s1	218069177	YUMVMQYWGSFDGN-KCGLVANISA-N	292.492	4.625	70	10	CJIE	
COc1ccc(Cl)c(N[C@@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c1	218167019	FMUHZKYSHFSWTJ-PBEGBBSFSA-N	291.822	4.585	70	10	CJIE	
O[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1CC1CCCC1	218309278	HOUQSTONICEYJN-FGTMMUONSA-N	258.405	4.512	70	10	CJIE	
CC[C@@H]1CCCC[C@H]1OC[C@@H](O)c1ccc(C(C)C)cc1	218548203	JLWHPPDZKRFFGA-ATZDWAIDSA-N	290.447	4.829	70	10	CJIE	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NCCCOC1CCCCC1)C2	218750752	GCFALKLDPRFFED-IEZWGBDMSA-N	293.495	4.530	70	10	CJIE	
F[B-](F)(F)/C=C/c1ccc(OCc2ccccc2)cc1	309602846	CRWCLLBFPNWVGT-ZHACJKMWSA-N	277.074	4.665	70	10	CJIE	
CC(C)=C(CN1CCCCC12CCCC2)[B-](F)(F)F	2317998020	NEXYPYBWQBYVBL-UHFFFAOYSA-N	274.159	4.508	70	10	CJIE	
Cc1cccc([C@H](C)N[C@@H](C)c2cccc(C)c2)c1	160186204	FIUIJWOQNDEYQV-HOTGVXAUSA-N	253.389	4.715	70	10	CJIE	
CCN[C@@H](c1ccc(C(C)(C)C)cc1)[C@H]1CCCS1	161073838	YLLGWWYWDRKHIA-CVEARBPZSA-N	277.477	4.530	70	10	CJIE	
CCNCc1oc2c(C)c(C)cc(C)c2c1C(C)C	161210497	WCQDRZGTWOBPFG-UHFFFAOYSA-N	259.393	4.591	70	10	CJIE	
CN[C@H](Cc1ccc(C(C)(C)C)cc1)C1[C@H]2CCCC[C@H]12	161255876	AFAMGKNDFBTHCX-OKZBNKHCSA-N	285.475	4.551	70	10	CJIE	
CCOC1(C(=O)CCCc2ccccc2)CCCCCC1	161335899	FMWGOBONQRUJNU-UHFFFAOYSA-N	288.431	4.708	70	10	CJIE	
ClCCCC[Si](Cl)(Cl)CCCCCl	202111031	UMGIVZNPEFSBIO-UHFFFAOYSA-N	282.114	4.944	70	10	CJIE	
CCC[C@H]1CC[C@@H](NCC)[C@@H](CCOc2ccccc2)C1	217718054	XJFQURZEMJCBSI-JENIJYKNSA-N	289.463	4.650	70	10	CJIE	
C[C@H]1CCC[C@H]([C@@H](O)Cc2ccc(C(C)(C)C)cc2)C1	217915918	RTQFVKXTLSKJHT-ZVZYQTTQSA-N	274.448	4.714	70	10	CJIE	
CC(C)C(CCN1CCC[C@@H]([B-](F)(F)F)C1)C(C)C	2070265252	WKWIXBPHXPRMNF-CYBMUJFWSA-N	278.191	4.618	70	10	CJIE	
CCNc1cc(Oc2cc(C)ccc2C(C)(C)C)ccn1	159365876	UWWIFXYHYVLIIW-UHFFFAOYSA-N	284.403	4.912	70	10	CJIE	
Cc1cc([C@@H](O)c2cccc(C3CCC3)c2)c(F)cc1F	160170700	YYUSOYPSZMAQKH-SFHVURJKSA-N	288.337	4.622	70	10	CJIE	
Fc1cc(Cl)ccc1CNc1cccc2cccnc12	160635178	KXNIKMQQVHTQOR-UHFFFAOYSA-N	286.737	4.639	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2	160817858	NUHAMQKFVQMSSJ-YSVLISHTSA-N	264.368	4.767	70	10	CJIE	
CCOC1(C(=O)Cc2c(C)cccc2C)CCCCCC1	161362385	SLFYXSHADBCETN-UHFFFAOYSA-N	288.431	4.545	70	10	CJIE	
CCCCN([C@H](c1sccc1C)[C@@H](N)CC)[C@H](C)CC	217828716	GSUJKVBIWPRJBM-PMPSAXMXSA-N	296.524	4.736	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@]1(CO)Nc1cccc(Cl)c1	218115697	APXXTIXLIFLDSF-JQFCIGGWSA-N	295.854	4.575	70	10	CJIE	
C[C@@H]1CCCC[C@H]1CN[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218162954	DHTOWECYHNEQTM-QYXWGXCQSA-N	263.469	4.617	70	10	CJIE	
CCC[C@H]1CC[C@@H](O)[C@@H](C/C=C/c2ccccc2)C1	218298731	CHCYSCOGZNORCL-YQDJGLKRSA-N	258.405	4.667	70	10	CJIE	
CCN[C@H]1CC[C@@H](C(C)(C)CC)C[C@@H]1OCCC(C)C	218780823	GXPUIBCIQCUTQK-IKGGRYGDSA-N	283.500	4.632	70	10	CJIE	
CC(C)c1ccc(CN2CCC[C@@H]([B-](F)(F)F)C2)cc1	2133915373	JVEXLLNFDBEOEW-OAHLLOKOSA-N	284.154	4.623	70	10	CJIE	
Cc1cc(Cl)cc([C@H](O)c2cc3cccc(F)c3o2)c1	159503115	SYKBDFGKPSSHRS-HNNXBMFYSA-N	290.721	4.615	70	10	CJIE	
N[C@H](c1ccc(Cl)cc1)c1cc2cccc(Cl)c2o1	159906909	LTRKEUDLMCHATO-CQSZACIVSA-N	292.165	4.788	70	10	CJIE	
CC(C)(C)NC[C@@H](CCC[C@@H]1CCCO1)C1CCCC1	160006070	RBVVJMQSEVWSHT-IAGOWNOFSA-N	281.484	4.530	70	10	CJIE	
Cc1ccc2c(c1)[C@H](N[C@@H](C)Cc1ccc(C)s1)CC2	160828685	HQNXYKXYDFFCBY-SCLBCKFNSA-N	285.456	4.573	70	10	CJIE	
CC(C)C1CC(CNC(C)(C)C)(C2=CCCCC2)C1	161461446	GDUMYIDYQHSJGU-UHFFFAOYSA-N	263.469	4.927	70	10	CJIE	
Cc1cc(C)c(NC(=O)Nc2cccc(F)c2)c(Cl)c1	217310675	WYXZOCRNPPBTFH-UHFFFAOYSA-N	292.741	4.740	70	10	CJIE	
C1=C[C@@H]2[C@H](C1)C[C@H]2Nc1ccc(Oc2ccccc2)cc1	217813394	SNBHVDYHSQYQHM-NIKGAXFTSA-N	277.367	4.855	70	10	CJIE	
CC(C)CC[C@@H](C)NCCS[C@H]1CCC[C@@H](C)C1	217922812	FEKSUBFTUXRLGR-OAGGEKHMSA-N	271.514	4.713	70	10	CJIE	
CCCC1CCC(CN2CCC[C@@H]([B-](F)(F)F)C2)CC1	1878472025	WXLGJHGYGXOTGU-YMAMQOFZSA-N	290.202	4.906	70	10	CJIE	
Cc1cc(Br)c(F)c([C@H]2C[C@@H]2[B-](F)(F)F)c1	1975298862	OPSRQJNAAMSEES-SVRRBLITSA-N	295.890	4.602	70	10	CJIE	
CC(C)(C)C1(CN2CCC([B-](F)(F)F)CC2)CCC1	2223250424	SPCJJPOCEOWKQT-UHFFFAOYSA-N	276.175	4.516	70	10	CJIE	
CC(C)=C(CN1CCCC12CCCCC2)[B-](F)(F)F	2317845855	PBUQYWCLKWVXHI-UHFFFAOYSA-N	274.159	4.508	70	10	CJIE	
CCc1ccc([C@H](N)c2cc3cccc(Cl)c3o2)s1	159910304	HDICXYJCPIIZBZ-CQSZACIVSA-N	291.803	4.758	70	10	CJIE	
CCSCC[C@@H](C)N[C@@H](CC)c1ccc(CC)cc1	160065370	MJOFAZNLUKFXTP-PBHICJAKSA-N	279.493	4.821	70	10	CJIE	
Cc1cccc([C@@H](N)Cc2ccc(F)cc2Cl)c1Cl	160583250	QLBPKXZCWSYTEW-AWEZNQCLSA-N	298.188	4.683	70	10	CJIE	
CN[C@@H](c1cscc1C)c1c(C)ccc2ccccc12	160890311	DDTRSOYZCKFVJY-SFHVURJKSA-N	281.424	4.827	70	10	CJIE	
CCCOc1ccc(NCc2cc(F)cc(Cl)c2)cc1	160927610	ANUAXDULAWPARU-UHFFFAOYSA-N	293.769	4.880	70	10	CJIE	
CCCc1c(CNC2CC2)oc2cc(Cl)cc(Cl)c12	161431588	VCQHSLQWKCVNCU-UHFFFAOYSA-N	298.213	4.944	70	10	CJIE	
CCCc1nc(Cl)c(C)c(O[C@H]2CC[C@H](C)[C@@H](C)C2)n1	217543110	NKALKPNIKITODW-GVXVVHGQSA-N	296.842	4.594	70	10	CJIE	
CCCC[C@@H](CC)CO[C@@H](c1ccc(F)cc1)[C@@H](N)CC	218269430	AXENBKVINKYCGL-JLSDUUJJSA-N	295.442	4.837	70	10	CJIE	
CC[C@H]1CC[C@H](CN2CC[C@](C)([B-](F)(F)F)C2)CC1	2319749427	NDTONPODHYBQEB-IHRRRGAJSA-N	276.175	4.516	70	10	CJIE	
CC(C)=C(CN1C[C@]2(C)CC[C@@H](C2)C1(C)C)[B-](F)(F)F	2340314418	PAUBVAGBMDVAQZ-SWLSCSKDSA-N	288.186	4.610	70	10	CJIE	
CC[C@H]1CCC[C@@H](Nc2ccc(F)c(OC)c2)CC1	160038201	RAQZKSRYYYNDOY-QWHCGFSZSA-N	265.372	4.605	70	10	CJIE	
O=C(Cc1cccc(Cl)c1)C1C2CC3CC(C2)CC1C3	160167001	NISOGLYZEFWLAJ-UHFFFAOYSA-N	288.818	4.524	70	10	CJIE	
CO[C@@H](c1nc(Cl)cc(C(C)(C)C)n1)C1CCCCC1	160373615	ABGKUDYIRSHDML-CQSZACIVSA-N	296.842	4.695	70	10	CJIE	
CN[C@H](Cc1ccc(Cl)cc1Cl)c1cc(C)oc1C	160458210	KGCSUCSVWNONKN-OAHLLOKOSA-N	298.213	4.706	70	10	CJIE	
CSc1ccc([C@H](N)Cc2ccc(C(C)(C)C)cc2)cc1	161290662	DJGANWCDIJUITG-GOSISDBHSA-N	299.483	4.949	70	10	CJIE	
CCCNCc1oc2c(C)cc(C)cc2c1CC(C)C	161387391	MNZXKNYDTQFPHF-UHFFFAOYSA-N	273.420	4.748	70	10	CJIE	
CCCCCCCCOc1ccc(C)cc1[B-](F)(F)F	203331199	WVVGYGVJEUIOTB-UHFFFAOYSA-N	287.154	4.789	70	10	CJIE	
CCC[C@@H]1CC[C@H](N)[C@@H](Cc2ccc(C(F)(F)F)cc2)C1	217686654	SDWJMMLBROYJAE-XPKDYRNWSA-N	299.380	4.792	70	10	CJIE	
CC[C@@H](N)[C@@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)c1cccs1	218262516	KANKVVQWNXBFOL-IXYNUQLISA-N	295.492	4.758	70	10	CJIE	
CC[C@H]1CC[C@H](O)[C@@H](Cc2ccc(C(C)C)cc2)C1	218284823	VKVXZTXENCKSMU-QGTPRVQTSA-N	260.421	4.540	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1Cc1cc(F)ccc1C	218290596	XSDUKNGLCRECIR-XYJFISCASA-N	291.454	4.727	70	10	CJIE	
C[C@@]1([B-](F)(F)F)CCN(CC2C[C@H]3CCC[C@H](C2)C3)C1	2342540283	JJEYQXAEMTWCHS-KCQAQPDRSA-N	288.186	4.516	70	10	CJIE	
CN[C@@H](CSCc1cc(C)cc(C)c1)C1CCCCC1	159456149	DDANWXOOECMAMG-SFHVURJKSA-N	291.504	4.705	70	10	CJIE	
Cc1cc([C@@H](O)c2ccccc2C2CCC2)ccc1Cl	160025457	JTCRZCWCOVTYCQ-GOSISDBHSA-N	286.802	4.998	70	10	CJIE	
C[C@H](N[C@H]1CCCC[C@@H]1C(C)(C)C)[C@@H]1C[C@H]2C=C[C@H]1C2	218037451	GCLUOEUWURSBBQ-QQCJEOGWSA-N	275.480	4.782	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1N[C@H](CC)c1ccc2c(c1)CCO2	218154055	UQXRQEPQUNJLDT-QGTPRVQTSA-N	287.447	4.631	70	10	CJIE	
Clc1ccc([C@@H](N[C@H]2C[C@@H]2c2ccccc2)C2CC2)cc1	218171404	AUMZJIGJGJTPNP-QYZOEREBSA-N	297.829	4.937	70	10	CJIE	
CC(C)C(CCN1CCC[C@H]([B-](F)(F)F)C1)C(C)C	2070265253	WKWIXBPHXPRMNF-ZDUSSCGKSA-N	278.191	4.618	70	10	CJIE	
CCCCCCCCN1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2073770870	APZNPDMLMHJLNQ-KGLIPLIRSA-N	276.175	4.660	70	10	CJIE	
CC(C)=C(CO[C@@H]1CC(C)(C)C1(C)C)[B-](F)(F)F	2301964365	JTJZPGKFOCBHKQ-LLVKDONJSA-N	263.132	4.551	70	10	CJIE	
CC(C)c1cccc(CN2CC[C@@](C)([B-](F)(F)F)C2)c1	2343752863	DHHFCYDHEDKDOZ-OAHLLOKOSA-N	284.154	4.623	70	10	CJIE	
CCCN[C@@H](C1CCCCC1)C(CC)(CC)OCC	159873214	XNTWHZXYPCHUEG-INIZCTEOSA-N	269.473	4.530	70	10	CJIE	
COCc1cccc(N[C@H]2C[C@H](C)CC[C@@H]2C(C)C)c1	217983995	URXOVBXZQAGDGW-OLMNPRSZSA-N	275.436	4.706	70	10	CJIE	
Cc1cc(C)c(N[C@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c(C)c1	218090093	SYZKXCFWYPYUCX-AVEIZBFRSA-N	269.432	4.848	70	10	CJIE	
CCCC[C@@H](CC)CO[C@H](C)[C@@H](O)c1ccc(CC)cc1	218555831	SUARDVUKELHDHX-SZVBFZGTSA-N	292.463	4.904	70	10	CJIE	
C=C(CN(C)C1CCC2(CCCCC2)CC1)[B-](F)(F)F	2114953661	IFZISZJFDGGOMY-UHFFFAOYSA-N	288.186	4.754	70	10	CJIE	
CC(C)=C(CN(C)CC1(C)CC2(CCC2)C1)[B-](F)(F)F	2340327884	HFWKHXQVMZUQFV-UHFFFAOYSA-N	288.186	4.612	70	10	CJIE	
CC(C)=C(CN(C)[C@@H]1CCC2(CCCC2)C1)[B-](F)(F)F	2340328083	IWSRXNZUSVJBCP-CYBMUJFWSA-N	288.186	4.754	70	10	CJIE	
CC(C)c1ccccc1CN1CC[C@](C)([B-](F)(F)F)C1	2342544738	HBVYACJNDVSKAM-HNNXBMFYSA-N	284.154	4.623	70	10	CJIE	
CC(C)(C)C1CCC(O)(c2cccc3[nH]ccc23)CC1	159433218	MUVCHIVSGQENBW-UHFFFAOYSA-N	271.404	4.592	70	10	CJIE	
Cc1cccc([C@H](N)c2cccc3ccccc23)c1Cl	160316255	KQGGLCDILRLCMG-GOSISDBHSA-N	281.786	4.850	70	10	CJIE	
CCOC1(c2nc(Cl)cc(C3CCCC3)n2)CCCC1	160531144	HKTMFWATAIOKNR-UHFFFAOYSA-N	294.826	4.593	70	10	CJIE	
Cc1ccccc1C[C@@H](C)NCc1ccc(Cl)cc1F	160775130	GVFXUGVPOTZKQE-CYBMUJFWSA-N	291.797	4.508	70	10	CJIE	
CCCc1ccccc1NCc1coc2ccccc12	161075060	YKZDDLJOUTZUOY-UHFFFAOYSA-N	265.356	4.997	70	10	CJIE	
CC(C)Cc1cccc([C@H](O)c2cc(F)cc(Cl)c2)c1	161196661	CZXSTNNQMXAGTD-KRWDZBQOSA-N	292.781	4.759	70	10	CJIE	
CO[C@H](C(=O)c1ccc(C(C)C)cc1)C1CCCCC1	161425738	NZQULFLQLGFNQI-SFHVURJKSA-N	274.404	4.588	70	10	CJIE	
Cc1ccc(-c2c(N)noc2C2CCC(F)(F)CC2)cc1	216732854	LPJWRUDUHYRFBZ-UHFFFAOYSA-N	292.329	4.525	70	10	CJIE	
CC(C)c1ccc(NC(=O)N/C=C/c2ccccc2)cc1	217614184	CQDCSEOYHRQIQS-OUKQBFOZSA-N	280.371	4.602	70	10	CJIE	
Cc1cc2c(n1[C@@H]1CCC[C@@H](C)[C@H]1C)CC(C)(C)C[C@@H]2N	218615206	KJGXKHBHNGJQFS-QIJZBDPFSA-N	288.479	4.766	70	10	CJIE	
CCN[C@@H]1CCCCCCCCCC[C@@H]1N1CC[C@@H](C)C1	218663692	PRAAGLVFKGXGFO-QRVBRYPASA-N	294.527	4.590	70	10	CJIE	
C[C@@H](Br)CC1c2ccccc2-c2ccccc21	142250422	OODLEFUFIGVJAM-LLVKDONJSA-N	287.200	4.972	70	10	CJIE	
CCCNCc1sc([C@H]2CC[C@@H](CC)C2)nc1C1CC1	159510227	GDYHWTFBUHPINH-OCCSQVGLSA-N	292.492	4.814	70	10	CJIE	
Cc1cccc([C@@H](C)N[C@H]2CCC(C)(C)C[C@@H]2C)c1	160170209	VZNOIUQCVLTGIM-UXLLHSPISA-N	259.437	4.860	70	10	CJIE	
CCN[C@H](Cc1ccccc1)c1cc2ccc(F)cc2s1	161176683	PYIWHDGAKZMGOD-MRXNPFEDSA-N	299.414	4.934	70	10	CJIE	
CCOC1(C(=O)c2cc(C)ccc2C)CCC(C)(C)CC1	161260373	SMPKRMYBGJKLLL-UHFFFAOYSA-N	288.431	4.862	70	10	CJIE	
CC(C)c1ccccc1NC(=O)NCC1CCCCC1	217586676	NGOFAMUDAGAMKY-UHFFFAOYSA-N	274.408	4.512	70	10	CJIE	
CCC[C@H]1CC[C@H](N)[C@@H](Cc2ccc(C(C)C)cc2)C1	217677573	QDOPJUJBKLGXAN-IPELMVKDSA-N	273.464	4.896	70	10	CJIE	
C[C@H]1CCC[C@@H]([C@@H](O)c2ccc(Cl)c(Cl)c2)C1	217923918	OFUJQUNMOURMTG-IMSIIYSGSA-N	273.203	4.853	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](O)[C@@H](Cc2cccc3ccccc23)C1	218323175	ITSFAELHTJLUAQ-ILZDJORESA-N	282.427	4.816	70	10	CJIE	
C[C@@H](F)c1csc2ccc(Br)cc12	218331172	JCFHLUJAUFVJDI-ZCFIWIBFSA-N	259.143	4.694	70	10	CJIE	
CCCC[C@@H](CC)CO[C@]1(CNCC)CCC[C@@H](C)C1	218755166	NRAKVNPRPMDSOL-KZNAEPCWSA-N	283.500	4.778	70	10	CJIE	
C=C(CCOC[C@H]1C[C@H]1C1CCCCCC1)[B-](F)(F)F	2135980347	QRDACFNGIWJHIX-CABCVRRESA-N	289.170	4.942	70	10	CJIE	
CCC1CCC(COc2ccc([B-](F)(F)F)cc2C)CC1	2193130279	ULRUWEKBUGVQGZ-UHFFFAOYSA-N	299.165	4.645	70	10	CJIE	
CC(C)=C(CN1CCC[C@H]1C1CCCCC1)[B-](F)(F)F	2340130096	TVBUIHYCGNLPGX-HNNXBMFYSA-N	288.186	4.754	70	10	CJIE	
CCC[C@H](C)[C@@H](Cc1ccc(C(C)(C)C)cc1)NCC	161289644	KLMPIUIKTHVZBG-MAUKXSAKSA-N	275.480	4.941	70	10	CJIE	
CO[C@H](C(=O)c1cccc2ccccc12)C1CCCCC1	161434702	NSRNPVMPQQEYKD-IBGZPJMESA-N	282.383	4.618	70	10	CJIE	
C[C@@H]1CCC[C@H](N[C@H](c2ccccc2)C2CC2)[C@@H]1C	218077779	MWJOPUUVBKVYFT-KJWYOANISA-N	257.421	4.552	70	10	CJIE	
CC[C@@H]1CCCC[C@@H]1O[C@H](c1ccccc1Cl)[C@@H](C)N	218245134	UFRFBIKRWHRUJL-OMNBBPDLSA-N	295.854	4.714	70	10	CJIE	
CC(C)(C)/C=C/NC(=O)Nc1cc(Cl)cc(Cl)c1	218568130	OBDOBRHHUDPMGI-SNAWJCMRSA-N	287.190	4.675	70	10	CJIE	
CC(C)CCCCCN1CC[C@@](C)([B-](F)(F)F)C1	2303136007	NDSONEZEMWMCMC-CYBMUJFWSA-N	264.164	4.516	70	10	CJIE	
C[C@@H]1CC[C@H](C(C)(C)[C@@H]2C[C@@H]2c2ccccc2)[C@H](O)C1	159542047	JRWYLBMCIYQXBN-SOVHRIKKSA-N	272.432	4.613	70	10	CJIE	
CCN[C@H](c1ccc(F)cc1)C1C2CC3CC(C2)CC1C3	160135937	ASRDBAAOEIVMPU-ASHXFPHZSA-N	287.422	4.549	70	10	CJIE	
C[C@H](N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccco1	160218897	NLGFTFNCXTVGHT-GOEBONIOSA-N	297.398	4.767	70	10	CJIE	
CCN[C@@H](Cc1ccc(F)cc1Cl)c1cc(C)oc1C	160586751	AMGGSNYTFJFTHA-INIZCTEOSA-N	295.785	4.582	70	10	CJIE	
CCCCCC(CCCCC)NC[C@H](C)N1CCCC1	160777095	SYMNWWAOEBXOML-KRWDZBQOSA-N	282.516	4.590	70	10	CJIE	
CCc1ccc(C[C@@H](N)c2ccc(C(F)(F)F)cc2)s1	161172339	PYHUYFGDYOLNKD-CQSZACIVSA-N	299.361	4.572	70	10	CJIE	
CC(C)COc1ccc([C@H](C)NCCCC2CC2)cc1	161413111	VAJLPUPNVGVRBH-HNNXBMFYSA-N	275.436	4.562	70	10	CJIE	
CCC[C@@H]1CC[C@@H](N)[C@@H](c2ccc(C(C)(C)C)cc2)C1	218473624	QUTGGJVFFXCUQD-ZTFGCOKTSA-N	273.464	4.995	70	10	CJIE	
CCCN[C@@H](c1cc2cc(F)cc(C)c2o1)C(C)(C)C	160732265	WVRGGEVKYWPELY-INIZCTEOSA-N	277.383	4.967	70	10	CJIE	
CCCOc1cccc([C@H](CC2CCCCC2)NC)c1	161028482	AATHZEOPDGKELP-SFHVURJKSA-N	275.436	4.706	70	10	CJIE	
CCNCc1oc2c([C@@H](C)CC)cccc2c1C1CC1	161375879	IBZTYVXMCVVQBM-LBPRGKRZSA-N	271.404	4.933	70	10	CJIE	
FC(F)(F)Sc1ccc(CNCCCC2CC2)cc1	161499396	PSJSZPKULNJFOY-UHFFFAOYSA-N	289.366	4.578	70	10	CJIE	
F[B-](F)(F)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	693077938	MCQMHCBOWUNBCZ-UHFFFAOYSA-N	294.933	4.653	70	10	CJIE	
F[B-](F)(F)C=Cc1ccc(-c2ccc(Cl)cc2)o1	1912956884	MZWJWFSXUGUCGL-UHFFFAOYSA-N	271.454	5.000	70	10	CJIE	
CC1(C)CC[C@H](CCN2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)C1	2344850549	FAVDLIHIYCGEBO-UMVBOHGHSA-N	288.186	4.516	70	10	CJIE	
CC(C)Cc1nc([C@H]2CC[C@H](C)C2)sc1CNC(C)C	159848946	QORMPQUJEZYLQV-KBPBESRZSA-N	294.508	4.743	70	10	CJIE	
CC(C)Oc1ccccc1NCc1coc2ccccc12	161085581	ANLBUOQVTNRWSX-UHFFFAOYSA-N	281.355	4.832	70	10	CJIE	
CC[C@H](C)[C@@H](c1ccccc1)[C@@H](NC)C1=CCCCC1	217883151	GJMQBOVXEVCGKA-SNRMKQJTSA-N	271.448	4.905	70	10	CJIE	
CCCOc1ccc([C@H](NC)[C@H]2CCC[C@@H](C)C2)cc1	217970192	SGILMGZSQKMJBF-HFTRVMKXSA-N	275.436	4.562	70	10	CJIE	
CCCN[C@@H](Cc1cccc(F)c1)[C@H]1CCC[C@@H](C)C1	218020671	ASMWFIDWIVHVPA-HFTRVMKXSA-N	277.427	4.563	70	10	CJIE	
F[B-](F)(F)C=Cc1cc(Br)c(Cl)s1	1912949970	UPQFPVGPIVWNNA-UHFFFAOYSA-N	290.320	4.564	70	10	CJIE	
Cc1cccc([C@@H](C)N[C@@H]2CCC[C@@H](C3CC3)C2)c1	160158208	VPQQXGFNHWGZCM-ZTFGCOKTSA-N	257.421	4.614	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](O)c1ccc(F)c(F)c1	160965386	FWSQLINJGKIQGZ-SFHVURJKSA-N	284.305	4.508	70	10	CJIE	
CSc1ccc([C@@H](C)Nc2cccc(N(C)C)c2)cc1	161123068	PIVPTEDYQCUQKU-CYBMUJFWSA-N	286.444	4.648	70	10	CJIE	
CC[C@@H](Nc1ccc(C)c(N(C)C)c1)c1ccc(F)cc1	161155269	MQRDMWMQJGQOGU-QGZVFWFLSA-N	286.394	4.763	70	10	CJIE	
CC(C)c1ccc(C[C@]2(N)C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1	217893233	GVIUUVYVKGFDFX-IVDHNXQLSA-N	283.459	4.506	70	10	CJIE	
CN[C@@H](c1ccccc1C(F)(F)F)[C@H]1CCC[C@@H](C)C1	217960149	SQLYWLWIJIWHJP-TYNCELHUSA-N	285.353	4.792	70	10	CJIE	
CCCc1ccccc1N[C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218105321	IXRMELAICCPVTM-FSNPWBFUSA-N	269.432	4.876	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@]1(CO)Nc1ccc(Cl)cc1	218118648	VZQPKWPZYOOCTB-XYPHTWIQSA-N	295.854	4.575	70	10	CJIE	
Cc1ccc([C@H](O[C@@H]2C[C@@H](C)CC(C)(C)C2)[C@H](C)N)cc1	218263767	KMVXNHKRBQJQJJ-CYGHRXIMSA-N	289.463	4.615	70	10	CJIE	
CCCCN(CCCC)C(=O)N/C=C/C1CCCCC1	218641519	GMKOKHDBBKXNQS-OUKQBFOZSA-N	280.456	4.692	70	10	CJIE	
CC(C)=C(COc1c(F)cccc1Cl)[B-](F)(F)F	2301865278	VRZDVENYKUMODG-UHFFFAOYSA-N	281.465	4.581	70	10	CJIE	
CC(C)=C(CO[C@@H]1CC[C@@H](C)C[C@H]1C)[B-](F)(F)F	2301965210	QTHOOAWHDVBZOS-NQBHXWOUSA-N	263.132	4.551	70	10	CJIE	
Cc1cc(C)c(C)c([C@@H](O)c2cccc(C)c2Cl)c1C	160416147	BPUKBNBGIYWSHQ-SFHVURJKSA-N	288.818	4.964	70	10	CJIE	
Cc1ccc([C@@H]2CNc3cccc(Cl)c3O2)cc1C	160552436	RHKQGBNKYCREEW-HNNXBMFYSA-N	273.763	4.502	70	10	CJIE	
CCC(CC)(OC)C(=O)c1ccc(-c2ccccc2)cc1	160703067	QGSAAMGEPJRASC-UHFFFAOYSA-N	282.383	4.742	70	10	CJIE	
Cc1ccc([C@@H](C)N[C@@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1C	218013588	RMVBURUNCHBVJR-YJKDXWGCSA-N	283.459	4.779	70	10	CJIE	
Cc1cccc(N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1C	218078463	OIGWIPRGSBTZFR-YXJHDRRASA-N	257.421	4.930	70	10	CJIE	
C[C@H]1CCC[C@H](OC[C@@H](O)c2ccc(C(C)(C)C)cc2)C1	218559463	HSZWLXOHBYHVNJ-JCGIZDLHSA-N	290.447	4.613	70	10	CJIE	
CC[C@H]1CC[C@H](NC)[C@H](Oc2ccccc2[C@H](C)CC)C1	218778758	KWHRAWNKSZRAFO-WXSAJPJJSA-N	289.463	4.746	70	10	CJIE	
CCCC1CCC(COc2ccccc2[B-](F)(F)F)CC1	2193122208	LKGDJGASTLXHHF-UHFFFAOYSA-N	299.165	4.726	70	10	CJIE	
C[C@H](OCCCCCCBr)c1ccccc1	147861969	CIFGWJKVAJBAMG-ZDUSSCGKSA-N	285.225	4.720	70	10	CJIE	
CC(C)(C)C1CCC(CN)([C@@H]2C[C@H]2c2ccccc2)CC1	159402309	BAAOFOLEFQXGHS-AGYKMIKPSA-N	285.475	4.972	70	10	CJIE	
CCC(CC)(CNC(C)C)[C@H]1C[C@@H]1c1ccccc1	159425182	ASSVIGLKDFKQJS-SJORKVTESA-N	259.437	4.595	70	10	CJIE	
CCNCc1sc([C@@H]2CCC[C@@H](CC)C2)nc1C1CC1	159457970	PVAJVFKDEOICEW-TZMCWYRMSA-N	292.492	4.814	70	10	CJIE	
CCCCC[C@H](NCCC)c1ccccc1OC(F)F	159681071	NQHJLFLULKLRCA-AWEZNQCLSA-N	285.378	4.909	70	10	CJIE	
FC(F)c1ccc([C@H]2CCNC[C@H]2C2CCCC2)cc1	160128556	BHODGRLRVAGEOQ-CVEARBPZSA-N	279.374	4.508	70	10	CJIE	
CN[C@H](c1cc(C)ccc1C)C1C2CC3CC(C2)CC1C3	160132606	WMJQTNVQSAHGSW-AVHGTGSPSA-N	283.459	4.636	70	10	CJIE	
CCOc1cc(C)ccc1N[C@@H]1CCc2ccc(C)cc21	160810071	IPCAFFRMKPKYMU-QGZVFWFLSA-N	281.399	4.802	70	10	CJIE	
CC[C@@H](N[C@H]1CCc2ccc(C)cc21)C1CCCCC1	160822997	WXUCCPZTCAUCKP-MOPGFXCFSA-N	271.448	4.931	70	10	CJIE	
CC[C@H](SCc1cc(C)on1)c1ccc(F)cc1	161308617	LHFIXUNCBCJTQD-AWEZNQCLSA-N	265.353	4.507	70	10	CJIE	
Cc1cc(Cl)c(N[C@@H]2C[C@H]3CC=C[C@H]32)c2cccnc12	218042140	JKIYTSHSGDPISL-LALPHHSUSA-N	284.790	4.573	70	10	CJIE	
Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@@H]1CCCC[C@H]1C	218077212	RFULBQUVMJUWEQ-DAXOMENPSA-N	275.436	4.770	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccc2nccnc2c1	218096720	HPLIUQNLZGHMAT-UNEWFSDZSA-N	283.419	4.503	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)C)C[C@@H]1Oc1cccc(C(C)C)c1	218766641	BLUFIRXTYSVHFO-UHOSZYNNSA-N	289.463	4.602	70	10	CJIE	
CC[C@@H]1CCC[C@@H](Oc2cc(C)cc([B-](F)(F)F)c2C)C1	686553089	DNKHPUNVBDMZMU-ZIAGYGMSSA-N	299.165	4.705	70	10	CJIE	
CC(C)CCCCCN1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2073777119	NNXJFTQUANQSPU-UONOGXRCSA-N	276.175	4.516	70	10	CJIE	
O[C@@H]([C@H]1C[C@@H]1c1ccccc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	160032932	KJPNHFOXVBTDAJ-VFNZLGRZSA-N	284.443	4.758	70	10	CJIE	
Cc1cccc(C(=O)c2ccc3c(c2)CCCC3)c1Cl	160262954	XJXNHHFQPHYGKY-UHFFFAOYSA-N	284.786	4.758	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(C)c(F)c1)CC2	160834894	UTBYTBMMMLAPIH-KUHUBIRLSA-N	283.390	4.781	70	10	CJIE	
CCCc1c(CNC(C)C)oc2cc(C)c(C)cc12	161249511	AGFPVAAJDSSRLL-UHFFFAOYSA-N	259.393	4.500	70	10	CJIE	
CCc1ccccc1N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218073341	DXDIEHKUGKVFDT-UWWQBHOKSA-N	257.421	4.876	70	10	CJIE	
Cc1cc(OC[C@H](C)CC(C)(C)C)ccc1[B-](F)(F)F	709106923	GAWADDZYMOENQO-LLVKDONJSA-N	287.154	4.501	70	10	CJIE	
C=CCCCCCCCN1CC[C@](C)([B-](F)(F)F)C1	2319725486	CQWXZFYOVTZRRY-AWEZNQCLSA-N	276.175	4.826	70	10	CJIE	
CC(C)CNCC1([C@@H]2C[C@H]2c2ccccc2)CCCC1	159415492	BIEPRJIOHGRDJJ-ZWKOTPCHSA-N	271.448	4.596	70	10	CJIE	
CCCN[C@H](CCC(C)C)c1ccc(OC2CC2)cc1	159559206	GIXQPJZUVVDZHR-GOSISDBHSA-N	275.436	4.705	70	10	CJIE	
c1ccc2cc([C@@H]3CCNC[C@H]3C3CCCC3)ccc2c1	160109483	DDWRWEGIWMQWDH-PMACEKPBSA-N	279.427	4.723	70	10	CJIE	
FC(F)c1ccc([C@@H]2CCNC[C@@H]2C2CCCC2)cc1	160128262	BHODGRLRVAGEOQ-JKSUJKDBSA-N	279.374	4.508	70	10	CJIE	
CCN[C@H](C)c1ccc(Oc2ccc(F)cc2C)c(F)c1	160584962	QLZNSKHNTXIJTP-GFCCVEGCSA-N	291.341	4.736	70	10	CJIE	
Cc1cc(C(=O)c2c(C)ccc3ccccc23)c(C)o1	160828906	PGYGYLLAISJFHF-UHFFFAOYSA-N	264.324	4.589	70	10	CJIE	
C[C@H]1CCCC[C@@H]1NCCSCc1ccc(Cl)cc1	160970554	QHHNTYRTOVLQPO-BBRMVZONSA-N	297.895	4.742	70	10	CJIE	
CC[C@@H](C)[C@@H](c1ccccc1)[C@@H](NC)C1=CCCCC1	217883083	GJMQBOVXEVCGKA-MNEFBYGVSA-N	271.448	4.905	70	10	CJIE	
Cc1ccc(NCCO[C@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1	217892912	SRFUPGNQCAKPOA-WDSOQIARSA-N	289.463	4.884	70	10	CJIE	
C[C@@H]1CCC[C@H](N[C@H](C)CC(C)(C)c2ccccc2)C1	217998119	FOCXZFOEWWPEIE-NUJGCVRESA-N	273.464	4.911	70	10	CJIE	
CCCN[C@@H](c1cccc(F)c1)[C@H]1CCC[C@@H](C)C1	218031882	FDRNEUSBWQLGSV-JKIFEVAISA-N	263.400	4.693	70	10	CJIE	
FC1(c2ccc(Br)cc2)CCCCC1	218263532	HRAIESLIUAKZKZ-UHFFFAOYSA-N	257.146	4.578	70	10	CJIE	
Cc1c(C(C)C)[nH]c2c(C)cc(Br)cc12	218576502	UHPHHWHURQZMJV-UHFFFAOYSA-N	266.182	4.671	70	10	CJIE	
CCN[C@@H]1CC[C@H](C(C)(C)CC)C[C@@H]1N(C)C(CC)CC	218640573	WKWKPCUJCIZFSR-JQHSSLGASA-N	296.543	4.690	70	10	CJIE	
CC(C)(C)c1ccc([C@H]2CCNC[C@H]2C2CCCC2)s1	160126049	VWALFMFGQPJXIT-GJZGRUSLSA-N	291.504	4.929	70	10	CJIE	
Fc1ccc(N[C@H]2CCOC3(CCCCC3)C2)cc1Cl	160648664	AHBQYKSFXQIZSR-ZDUSSCGKSA-N	297.801	4.773	70	10	CJIE	
CCOC1(C(=O)C2CCC(C)CC2)CCC(C)(C)CC1	161259572	KQCGUTMKPQZEIV-UHFFFAOYSA-N	280.452	4.757	70	10	CJIE	
NCc1oc2c(cc(Cl)c3ccccc32)c1C1CC1	161436822	MIZYDSCZYJBONR-UHFFFAOYSA-N	271.747	4.576	70	10	CJIE	
CCN[C@H]1CC[C@H](c2ccccc2)C[C@@H]1C[C@@H](C)CC	217768802	DOFKISYUHIMFEA-WNHJNPCNSA-N	273.464	4.985	70	10	CJIE	
Cc1nc([C@H](C)N[C@H]2C[C@H](C)CC[C@H]2C(C)C)c(C)s1	217860886	IHMPERAPWXCCFS-KNPMLCFXSA-N	294.508	4.871	70	10	CJIE	
C[C@H]1CCC[C@H](N[C@H](c2ccc(F)cc2)C2CC2)[C@@H]1C	217897871	DRBBIWDIUMCPHT-GGNLRSJOSA-N	275.411	4.691	70	10	CJIE	
C[C@@H]1C[C@@H](O[C@H](C)CNc2ccccc2)CC(C)(C)C1	217911680	HAKCRKDRAIXACD-BFYDXBDKSA-N	275.436	4.718	70	10	CJIE	
Fc1cc(N[C@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)ccc1Cl	217961393	CTWDGYDSGMSAEM-YMXDLSOXSA-N	279.786	4.716	70	10	CJIE	
Cc1ccc(C(=O)[C@H](C)O[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1	218412604	PIUZLMYLGKSSNU-HLLBOEOZSA-N	288.431	4.798	70	10	CJIE	
Fc1cc(Cl)c(Cl)cc1/C=C/[B-](F)(F)F	306842846	FZQUHCWEODQCDT-OWOJBTEDSA-N	257.830	4.532	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1c1cccc(Br)c1Cl	1885275611	WGRVSBNLCORYID-RNFRBKRXSA-N	298.318	4.807	70	10	CJIE	
CC(C)=C(CN(C)[C@H](C)c1ccc(C)s1)[B-](F)(F)F	2317988524	BHXRCJBEEDUNAE-LLVKDONJSA-N	290.183	4.772	70	10	CJIE	
O[C@H](CCC1CCCCC1)c1cc2cccc(F)c2o1	159490408	SHCWYRYPSZIGAD-OAHLLOKOSA-N	276.351	4.966	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)s1)c1ccc2c(c1)CCC2	161232648	POGSDQLBAVEXEY-LJQANCHMSA-N	299.483	4.693	70	10	CJIE	
CN[C@@H](c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[C@@H](C)C1	217961611	IEDMHWAKGZODBZ-KYOSRNDESA-N	285.353	4.792	70	10	CJIE	
C[C@H](N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)c1ccsc1	218144986	ZGBDPIBQQNSKSW-YYWXWVFPSA-N	263.450	4.614	70	10	CJIE	
c1ccc2c([C@H]3CCNC[C@H]3C3CCCC3)csc2c1	160112181	KTHJAYHUCUXYBU-HOCLYGCPSA-N	285.456	4.785	70	10	CJIE	
CCN[C@H](c1c(Cl)cnn1C(C)C)C1CCCCCC1	160483207	UDBQTOJFVDBAKI-HNNXBMFYSA-N	297.874	4.738	70	10	CJIE	
C[C@H](CCNCc1coc2ccccc12)c1ccccc1	161102374	RFTFIOICVVQNAE-OAHLLOKOSA-N	279.383	4.716	70	10	CJIE	
C1=C[C@@H]2[C@@H](C1)C[C@H]2Nc1ccccc1-c1cccs1	218199528	GUSKMMBDRQULTB-WOSRLPQWSA-N	267.397	4.792	70	10	CJIE	
CC(C)(C)/C=C/NC(=O)Nc1cc(Cl)ccc1Cl	218541332	MPICSBOWYFDYHK-VOTSOKGWSA-N	287.190	4.675	70	10	CJIE	
Cc1ccc(C(C)C)cc1O[C@@H]1C[C@@H](C(C)C)CC[C@H]1O	218561474	DCSQBYRVENACKB-YQVWRLOYSA-N	290.447	4.683	70	10	CJIE	
CCCCCCCCCCCC(C)(C)S(=O)(=O)F	1952267671	KUZTYSHOSQTTIA-UHFFFAOYSA-N	280.449	4.985	70	10	CJIE	
CCC[C@H]1CC[C@H](COc2ccc([B-](F)(F)F)cc2)CC1	2193124123	XSADKGQLBNGLGM-HDJSIYSDSA-N	299.165	4.726	70	10	CJIE	
C[C@@H]1C[C@H]1CCCCCN1CC[C@](C)([B-](F)(F)F)C1	2319704215	FLXUFZLCLHYZLD-MCIONIFRSA-N	276.175	4.516	70	10	CJIE	
CC(C)=C(CN(C)C[C@@H]1CCCC2(CC2)C1)[B-](F)(F)F	2340144286	MHLWKRHHDXKAQZ-CYBMUJFWSA-N	288.186	4.612	70	10	CJIE	
CC1(C)CC(CN2CC[C@H]([B-](F)(F)F)C2)CC(C)(C)C1	2342454859	UOUSSQPHIJQWGR-ZDUSSCGKSA-N	290.202	4.762	70	10	CJIE	
CCCCCc1ccc(NCc2ccnn2CCC)cc1	159983247	LWYRBVCKGIBVIN-UHFFFAOYSA-N	285.435	4.638	70	10	CJIE	
FC(F)(F)c1ccc([C@@H]2CCNC[C@@H]2C2CCCC2)cc1	160121122	ZFZSIXWWXMGMNW-JKSUJKDBSA-N	297.364	4.589	70	10	CJIE	
CCCN[C@H](CC)c1ccccc1N1CC[C@H](C(C)C)C1	160339623	CTSMITBSPGJQTF-FUHWJXTLSA-N	288.479	4.620	70	10	CJIE	
CCO[C@@H](c1nc(Cl)cc(C(C)C)n1)C1CCCCC1	160380406	RWSPKSSIDOPJHV-OAHLLOKOSA-N	296.842	4.911	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1NC1[C@@H](C)CCC[C@@H]1C	217867009	COTNLVDHJLHXHZ-WOYTXXSLSA-N	265.485	4.862	70	10	CJIE	
CCN[C@H](Cc1c(C)cc(C)cc1C)[C@H]1CCC[C@@H](C)C1	218002976	FTIALSMUPQJJHH-HEFCMCLBSA-N	287.491	4.959	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1c1cc(Cl)sc1Cl	1882186175	SYHTWRSAIHTFJG-NQXXGFSBSA-N	259.896	4.760	70	10	CJIE	
Cc1sc(C)c([C@@H]2C[C@@H]2[B-](F)(F)F)c1Br	1885275556	VVWUQHKHVVYDAI-RQJHMYQMSA-N	297.956	4.832	70	10	CJIE	
CCC1CCC(CN2CCC([B-](F)(F)F)CC2)CC1	2223249858	PJUUKHVQNIJXMS-UHFFFAOYSA-N	276.175	4.516	70	10	CJIE	
CC(C)=C(CN1CCC[C@@H]1c1cccs1)[B-](F)(F)F	2317846780	CQUXGCSRVQGSDB-GFCCVEGCSA-N	288.167	4.608	70	10	CJIE	
C=C(CCOc1ccc(CC(F)(F)F)cc1)[B-](F)(F)F	2336726111	NQDGOQOAZXUXLQ-UHFFFAOYSA-N	297.027	4.503	70	10	CJIE	
CCCC[C@@H](CC)[C@@H](O)c1cc2cc(F)ccc2o1	159401031	CSPOZDDIJYMLIB-BDJLRTHQSA-N	264.340	4.822	70	10	CJIE	
Cc1cccc([C@@H](O)c2cccc(CC(C)C)c2)c1Cl	159862260	GLAULHFQTCKEGR-SFHVURJKSA-N	288.818	4.929	70	10	CJIE	
Cc1cc(F)ccc1C[C@H](O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	159868394	MQKJFONVMVYFST-WFEDQXDTSA-N	290.422	4.644	70	10	CJIE	
Cc1ccc2c(c1)[C@H](NCCC1CCC(C)CC1)CC2	160827935	LOPOBRMUHWCATF-GSQSYGFSSA-N	271.448	4.788	70	10	CJIE	
CN[C@@H](c1ccc(F)cc1)c1c(C)ccc2ccccc12	160905752	FLCRPENWXGGLLZ-IBGZPJMESA-N	279.358	4.596	70	10	CJIE	
CCO[C@@]1(C(=O)C2CCC(CC)CC2)CCC[C@@H](C)C1	161217189	NWWQBJTVDODFNL-IDMDMSBLSA-N	280.452	4.757	70	10	CJIE	
CCC[C@H]1CC[C@H](NCC)[C@@H](CCOCCC(C)C)C1	217717230	LDLGMLITJBOLFA-BZSNNMDCSA-N	283.500	4.634	70	10	CJIE	
CCCN[C@H]1CC[C@H](CCC)C[C@@H]1Cc1ccsc1	217729606	PLYDXQLXBFLWPU-UAGQMJEPSA-N	279.493	4.875	70	10	CJIE	
CCCC[C@H](CC)CO[C@@H](c1ccc(C)o1)[C@@H](N)CC	218268235	HDQHCMISHQZLDZ-YQQAZPJKSA-N	281.440	4.599	70	10	CJIE	
CC(C)=C(CN(C)[C@H]1CCCCC(F)(F)C1)[B-](F)(F)F	2340146093	ORLDNRZYOAKLCU-NSHDSACASA-N	298.128	4.609	70	10	CJIE	
C[C@]1([B-](F)(F)F)CCN(Cc2csc3ccccc23)C1	2342521320	TYZGKZSMCLLVMX-AWEZNQCLSA-N	298.162	4.715	70	10	CJIE	
CCCCCNc1c(C)cc(C)cc1Br	159576258	KFRMZMXJISAURP-UHFFFAOYSA-N	270.214	4.668	70	10	CJIE	
CCN[C@@H](c1ccc(F)c(F)c1)c1cccc(C)c1Cl	160297895	BSMHGXZLUUBPFG-INIZCTEOSA-N	295.760	4.626	70	10	CJIE	
C[C@H](C[C@H](O)Cc1ccc(Cl)cc1F)CC(C)(C)C	160397201	UDNVVQYBVUUPRO-RISCZKNCSA-N	286.818	4.845	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](Nc1cc(F)c(F)cc1F)CC2	160823705	RRKIKPPMKDSSQH-HNNXBMFYSA-N	277.289	4.512	70	10	CJIE	
CC(C)c1ccc(C[C@@H](O)c2cc(F)cc(Cl)c2)cc1	161221190	YWWIWNGYQKWBNO-QGZVFWFLSA-N	292.781	4.879	70	10	CJIE	
CO[C@@H](C(=O)c1cccc(CC(C)C)c1)C1CCCCC1	161373665	HZGDBAHFOMDIFR-LJQANCHMSA-N	288.431	4.663	70	10	CJIE	
Cc1cc(C)c(C[C@H]2C[C@@H](C(C)C)CC[C@H]2N)c(C)c1	217771448	DZAIKPWUEUYSHF-YQVWRLOYSA-N	273.464	4.554	70	10	CJIE	
COc1ccc(N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c(C)c1	218198599	VTSCBPISBJWHQU-FDQGKXFDSA-N	273.420	4.630	70	10	CJIE	
C[C@H]1CC[C@H](CN)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	218625568	HYVCZMCWCUSUEX-USXIJHARSA-N	273.464	4.538	70	10	CJIE	
CCCNC[C@H](O[C@H]1CCC[C@@H](C)C1)c1ccc(C)cc1	218758766	IKVUUBATUJHCEV-NEWSRXKRSA-N	289.463	4.631	70	10	CJIE	
CC(C)=C(CN1C[C@@]2(C)CC[C@@H](C2)C1(C)C)[B-](F)(F)F	2340146109	PAUBVAGBMDVAQZ-WFASDCNBSA-N	288.186	4.610	70	10	CJIE	
C[C@]1([B-](F)(F)F)CCN(C[C@@H]2C[C@H]2C2CCCCC2)C1	2342493167	OCJKNVLTCVFSSP-KKUMJFAQSA-N	288.186	4.516	70	10	CJIE	
Cc1ccc([C@H](O)c2cccc(C3CCC3)c2)cc1Cl	160198860	PHVOXRNEDJFGGE-GOSISDBHSA-N	286.802	4.998	70	10	CJIE	
Cc1cc([C@@H](N)c2c(C)ccc3ccccc23)ccc1F	160857043	RTMKQMYLCZJJPM-LJQANCHMSA-N	279.358	4.644	70	10	CJIE	
O[C@@H](CC1=CCCCC1)c1ccc2ccccc2c1	161042326	WBUVDYJNUKUYFR-SFHVURJKSA-N	252.357	4.764	70	10	CJIE	
Cc1cc(C)c2c(CC(C)C)c(CNC(C)C)oc2c1	161166096	CZOIUPQIHLDYNU-UHFFFAOYSA-N	273.420	4.746	70	10	CJIE	
Cc1cccc([C@H](C)Nc2ccc(C)c(N(C)C)c2)c1	161169361	IBJOBEAQDOCHPX-HNNXBMFYSA-N	268.404	4.543	70	10	CJIE	
CN[C@@H](c1ccc2c(c1)C(C)(C)CCC2(C)C)C(C)C	161486834	AMXXCBDVTGKCBG-QGZVFWFLSA-N	273.464	4.952	70	10	CJIE	
CC[C@@H](C)c1ccc(OCc2ccccc2F)cc1	217396480	SNLXGAWTYKETGJ-CYBMUJFWSA-N	258.336	4.918	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCc1ccc(N)cc1Cl	218249764	HHSKFBIZMOCBFO-VMGRFDJRSA-N	295.854	4.900	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(O[C@H]2CCC3(CCCC3)C2)c1	2155212092	SQXIKEUMMRTBBI-ZDUSSCGKSA-N	297.149	4.541	70	10	CJIE	
CCc1ccsc1[C@@H](O)c1cc2cc(Cl)ccc2o1	159381998	XQHBYHRKDQFPOE-AWEZNQCLSA-N	292.787	4.792	70	10	CJIE	
CCNCc1sc(C2CCC(CC)CC2)nc1C1CC1	159482851	DNNCACZAHPQFTE-UHFFFAOYSA-N	292.492	4.814	70	10	CJIE	
CCO[C@]1(C(=O)c2ccc(C(C)C)cc2)CCC[C@H](C)C1	161224853	RANMOUZELSCZST-HNAYVOBHSA-N	288.431	4.978	70	10	CJIE	
CCOC1(C(=O)c2ccc(F)cc2F)CCC(C)(C)CC1	161239425	YKYODLABXJECEZ-UHFFFAOYSA-N	296.357	4.523	70	10	CJIE	
Cc1ccc(-c2cc([C@H](C)N)cs2)cc1Br	217256112	ARCZKMASXXGRTD-VIFPVBQESA-N	296.233	4.506	70	10	CJIE	
C[C@@H]1CCC[C@@H]([C@@H](N)c2ccc(C(C)(C)C)cc2)C1	217953645	JIRGWLZRDBGJOC-UNEWFSDZSA-N	259.437	4.810	70	10	CJIE	
CC[C@H](N)[C@H](O[C@@H]1CCCC[C@@H]1CC)c1ccc(C)s1	218244660	SOEJEXTUWFFMOD-MPTYRVRUSA-N	295.492	4.820	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](N)[C@@H](C[C@@H]2CCCc3ccccc32)C1	218526791	QIJIQJRDSUNYOZ-AJYBTWMASA-N	285.475	4.896	70	10	CJIE	
CCc1cccc(C)c1NCc1ccc(Cl)cc1F	160770012	YCPRNJQVEPWCLT-UHFFFAOYSA-N	277.770	4.962	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](N)c1cccc(Cl)c1F	160847889	ZAHSPRMMIQMKDA-SFHVURJKSA-N	299.776	4.989	70	10	CJIE	
CCN[C@H](c1ccc(C(C)(C)C)cc1)[C@@H]1CCCS1	161073712	YLLGWWYWDRKHIA-JKSUJKDBSA-N	277.477	4.530	70	10	CJIE	
Cc1cc(C)c2c(CC(C)C)c(CNCC(C)C)oc2c1	161163982	LZZXZQGQUREZFI-UHFFFAOYSA-N	287.447	4.994	70	10	CJIE	
CCOC1(C(=O)c2c(F)cccc2F)CCC(C)(C)CC1	161240336	BZBPKFNUVXQNIL-UHFFFAOYSA-N	296.357	4.523	70	10	CJIE	
CC[C@H](C)c1ccccc1NC(=O)Nc1cccc(O)c1	217312612	OCWDOKXDJVCLSF-LBPRGKRZSA-N	284.359	4.550	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)C)C[C@@H]1Cc1ccccc1Cl	217793544	JOAIMRVDKLIUFE-FRFSOERESA-N	279.855	4.543	70	10	CJIE	
C[C@@H](N[C@@H]1C[C@@H]2CC=C[C@H]21)c1ccc(C(C)(C)C)cc1	218038581	KTUUUGDIJOGAKF-AETAKHFUSA-N	269.432	4.599	70	10	CJIE	
CC(C)(C)c1csc2ccc(Br)cc12	218684117	WXOHHOXIZMTDJE-UHFFFAOYSA-N	269.207	4.961	70	10	CJIE	
CC[C@H]1CC[C@H](NC)[C@@H](Oc2ccccc2[C@@H](C)CC)C1	218778917	KWHRAWNKSZRAFO-MRHSLFKSSA-N	289.463	4.746	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@H]1c1cc(Cl)cc(Br)c1	1885273257	AETDRMZNJAXGNA-IUCAKERBSA-N	298.318	4.807	70	10	CJIE	
CC(C)c1ccc(CN2CCC[C@H]([B-](F)(F)F)C2)cc1	2133915372	JVEXLLNFDBEOEW-HNNXBMFYSA-N	284.154	4.623	70	10	CJIE	
CC(C)=C(CO[C@@H]1CC[C@H](C)[C@H](C)C1)[B-](F)(F)F	2301864044	JTYXBINUGXPZIE-QJPTWQEYSA-N	263.132	4.551	70	10	CJIE	
C[C@]1([B-](F)(F)F)CCN(Cc2cc3ccccc3s2)C1	2342520033	WPCBKDBEEQEMQE-AWEZNQCLSA-N	298.162	4.715	70	10	CJIE	
CSc1ccccc1[C@@H](O)c1cccc(C2CCC2)c1	160174228	DXUJZTXIEUIDCZ-SFHVURJKSA-N	284.424	4.758	70	10	CJIE	
O[C@@H](c1cccc(C2CCC2)c1)c1cccc(F)c1Cl	160188538	VCYCOUSTVNYOPW-KRWDZBQOSA-N	290.765	4.828	70	10	CJIE	
CCCN[C@H](C)c1c(F)cccc1N1CC[C@H](CCC)C1	160391965	UEWRYNNAUNJNIZ-CABCVRRESA-N	292.442	4.513	70	10	CJIE	
Cc1ccc([C@@H](N)c2c(C)ccc3ccccc23)c(F)c1	160846267	OENOTJRGOMODSJ-LJQANCHMSA-N	279.358	4.644	70	10	CJIE	
Cc1cccc([C@@H](O)c2c(C)ccc3ccccc23)c1C	161008317	CEKGWTOGYHHDFC-HXUWFJFHSA-N	276.379	4.847	70	10	CJIE	
Cc1ccc([C@@H](C)Nc2ccc(C)c(N(C)C)c2)cc1	161204935	VKNFZWCNMOUJOV-OAHLLOKOSA-N	268.404	4.543	70	10	CJIE	
C[C@H](N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(F)cc1Cl	217892616	JZBFDTWKOYRLIW-KZTGVZKYSA-N	283.818	4.954	70	10	CJIE	
C[C@H]1CCC[C@H]1N[C@H](C)c1cc(F)c(Cl)cc1Cl	218207947	TZNADPDZUJBAPP-ATEUNZGCSA-N	290.209	4.972	70	10	CJIE	
CC[C@H](N)[C@@H](O[C@@H]1CCCC[C@@H]1CC)c1ccccc1C	218244929	HUQWPETVNVHRRY-KANFNMMFSA-N	289.463	4.759	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](c2cccc(C(F)(F)F)c2)C1	218745532	VGOBTFDXDMZWIZ-XNRPHZJLSA-N	299.380	4.964	70	10	CJIE	
Cc1sc([C@@H]2C[C@@H]2[B-](F)(F)F)c(C)c1Br	2209573668	ICOSRXOZZZVEPC-RQJHMYQMSA-N	297.956	4.832	70	10	CJIE	
CC(C)CNC[C@H](C1CCCC1)[C@@H]1C[C@@H]1c1ccccc1	159494251	YLHWKVCXODFEIK-VAMGGRTRSA-N	285.475	4.842	70	10	CJIE	
CCc1ccccc1C(=O)c1cn(C)c2cc(Cl)ccc12	159629795	PEQOCMXFIYINDS-UHFFFAOYSA-N	297.785	4.625	70	10	CJIE	
CCCc1ccc(NCc2coc3ccccc23)cc1	161067175	NDNBRUVARGBQPL-UHFFFAOYSA-N	265.356	4.997	70	10	CJIE	
C[C@H](Nc1cccc(N(C)C)c1)c1nc2ccccc2s1	161122216	HDQXONVAGLDJNU-LBPRGKRZSA-N	297.427	4.535	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1ccc(F)cc1C	161334115	BOVQOYRUMVBJNR-QGZVFWFLSA-N	261.384	4.675	70	10	CJIE	
CCCCCC(CCCCC)NCCN(C)[C@@H](C)CC	217914047	XHGWRNJRPIETAZ-KRWDZBQOSA-N	284.532	4.836	70	10	CJIE	
CCCN[C@H](Cc1ccc(F)cc1F)[C@@H]1CCC[C@@H](C)C1	218033670	NHUBCXXNUCKDGL-DDUZABMNSA-N	295.417	4.702	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](O)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	218314368	BRAZGONUZXDARF-JENIJYKNSA-N	288.475	4.960	70	10	CJIE	
CCNC[C@H](O[C@H]1CCC[C@@H](C)C1)c1ccc(Cl)cc1	218762743	RMKIUHDJJQVVQU-COXVUDFISA-N	295.854	4.586	70	10	CJIE	
C=C(CCN(C)C1CC(C)(C)CC(C)(C)C1)[B-](F)(F)F	2107125485	LCKKIANXOOMEDX-UHFFFAOYSA-N	290.202	4.856	70	10	CJIE	
Cc1cc(OC[C@@H]2C[C@@H](C)C[C@@H](C)C2)ccc1[B-](F)(F)F	2149170470	NSDNNOSOHFQHFN-IMRBUKKESA-N	299.165	4.501	70	10	CJIE	
CC[C@H]1CC[C@H](COc2ccc(C)cc2[B-](F)(F)F)CC1	2193120360	CHSNRLSTUVAHJT-HDJSIYSDSA-N	299.165	4.645	70	10	CJIE	
Cc1ccc(C(=O)C2C3CC4CC(C3)CC2C4)c(C)c1	160111304	AJUDGEKWWYYVCH-UHFFFAOYSA-N	268.400	4.558	70	10	CJIE	
Cc1cccc([C@@H](C)N[C@@H]2C[C@H](C)CC(C)(C)C2)c1	160165579	GOQJSEHINBUEAO-ZMSDIMECSA-N	259.437	4.860	70	10	CJIE	
CNCc1cc(-c2c(C)ccc3ccccc23)cs1	160958342	ZKVSKAMAQKKWHQ-UHFFFAOYSA-N	267.397	4.596	70	10	CJIE	
CCN[C@@H](c1ccccc1)c1cc2ccc(F)cc2s1	161142596	DRXCDUSGZPHIHL-KRWDZBQOSA-N	285.387	4.739	70	10	CJIE	
CCc1ccc(C[C@H](NC)c2ccccc2SC)s1	161229704	VATASZOBYYFJEH-HNNXBMFYSA-N	291.485	4.536	70	10	CJIE	
CCN[C@@H](Cc1ccc(C(C)(C)C)cc1)c1coc(C)c1	161278256	XEZSSXLSNCUUQE-SFHVURJKSA-N	285.431	4.779	70	10	CJIE	
CC(C)Cc1c(CNC(C)C)oc2cc3c(cc12)CCC3	161304771	QMNZBHBPFRGSBY-UHFFFAOYSA-N	285.431	4.618	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc([C@@H](O)c3ccco3)ccc21	161496942	POKDQCGEYQVRNX-QGZVFWFLSA-N	284.399	4.710	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1NC[C@@H]1CCCC[C@@H]1C	218164963	DRBKCAXIZZPXIP-ATIWLJMLSA-N	265.485	4.863	70	10	CJIE	
Cc1ccc([C@H](O)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1C	218554747	KPAJMLSVAITYGB-FSPWUOQZSA-N	290.447	4.568	70	10	CJIE	
CCNC[C@]1(O[C@@H]2C[C@@H](C)CC(C)(C)C2)CCC[C@H](C)C1	218753885	ICPRFPWLISHQDZ-FAJBIJEISA-N	295.511	4.776	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1OCC1(C(C)(C)C)CCC1	2191982090	IQTZRKHOQVVGKB-UHFFFAOYSA-N	299.165	4.645	70	10	CJIE	
C[C@H]1CCC[C@@H](C)C1N[C@H](C)c1ccc(Cl)cc1	159950425	DPHIQNCIRNOUNI-RYFSFTGQSA-N	265.828	4.815	70	10	CJIE	
CCCN[C@H](c1c(C)ccc2ccccc12)C(F)(F)F	160934286	WWEXVRMWDOWVGV-OAHLLOKOSA-N	281.321	4.751	70	10	CJIE	
CC1(C)CCC[C@H](CN2CCC[C@@H]([B-](F)(F)F)C2)C1	2082978406	GVWXGVLULOSXIU-QWHCGFSZSA-N	276.175	4.516	70	10	CJIE	
C=C(CCSC[C@H](CC(C)(C)C)OC)[B-](F)(F)F	2250058530	PABAATIXTRROMC-NSHDSACASA-N	283.188	4.504	70	10	CJIE	
CCC(CC)(CNCC(C)C)[C@@H]1C[C@H]1c1ccccc1	159426918	BRZZRMLWYOENNB-ZWKOTPCHSA-N	273.464	4.842	70	10	CJIE	
Cc1cc(C)c(N[C@H]2C[C@H]3CC[C@@H]2C3)c(Br)c1	159563478	CPQSMMTUYNTWGU-SCRDCRAPSA-N	294.236	4.666	70	10	CJIE	
CCCCOCCCN[C@@H](C)c1cccc2ccccc12	160237952	XWILHKKLVGYHPX-INIZCTEOSA-N	285.431	4.697	70	10	CJIE	
CCCc1ccc([C@H]2CNc3ccc(Cl)cc3O2)cc1	160564259	QKNVHNJRVTWKFW-QGZVFWFLSA-N	287.790	4.838	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](N)C1C(C)(C)C1(C)C	160866965	WMSRZYQWDGBJSE-INIZCTEOSA-N	267.416	4.830	70	10	CJIE	
O[C@]1(c2cccc(Cl)c2Cl)C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217872815	MXICCJIUFBUXDA-QIJJUMSOSA-N	297.225	4.637	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1O[C@@]1(CNC(C)C)CCC[C@@H](C)C1	218747268	YQEGTZDTCHCXSI-XWSJACJDSA-N	295.511	4.919	70	10	CJIE	
CCCN[C@H](Cc1ccccc1)c1cccc(C)c1Cl	160360757	HKJIIVLHIKRYEQ-QGZVFWFLSA-N	287.834	4.932	70	10	CJIE	
Cc1ccc([C@@H](C)NCc2cc(F)cc(Cl)c2)cc1F	160963296	SNBPKNDDFXBOPG-LLVKDONJSA-N	295.760	4.777	70	10	CJIE	
C[C@H]1C[C@@H]1C(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C	161475075	RKRHBEWYPCECFX-JSGCOSHPSA-N	270.416	4.874	70	10	CJIE	
CCC[C@H](N)c1ccc2c(c1)C(C)(C)CCC2(C)C	161481905	GLPFILPELMTGBM-INIZCTEOSA-N	259.437	4.836	70	10	CJIE	
Cc1cc(Cl)nc(Nc2ccccc2Br)c1	217257768	DBWFRIZMNHPUIJ-UHFFFAOYSA-N	297.583	4.550	70	10	CJIE	
CN[C@]1(c2nc(C(C)C)cs2)C[C@H](C)CC[C@@H]1C(C)C	217859318	MESQQPLTJQEOIB-CKEIUWERSA-N	294.508	4.773	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1NCc1c(F)cccc1F	217866156	YVBZWOWGQNFBEK-AHIWAGSCSA-N	281.390	4.515	70	10	CJIE	
C=C(CCSCc1cccc(C)c1)[B-](F)(F)F	1978059540	GVZBZPUHRPRVNN-UHFFFAOYSA-N	259.125	4.561	70	10	CJIE	
Fc1ccc(C(F)(F)F)c([C@H]2C[C@@H]2[B-](F)(F)F)c1	2010602402	GJRGCLNNOAEAGV-APPZFPTMSA-N	270.964	4.549	70	10	CJIE	
Cc1cccc(Oc2ccccc2)c1CBr	141523456	YDQQYMNFGFMBBU-UHFFFAOYSA-N	277.161	4.682	70	10	CJIE	
C[C@H](C[C@H](O)c1cc2cc(F)ccc2o1)C(C)(C)C	159419280	XUYDJRURPOWWRY-MFKMUULPSA-N	264.340	4.678	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1ccc2cccnc2c1	161380155	RBFHKEUCGMILRH-GOSISDBHSA-N	280.415	4.776	70	10	CJIE	
C[C@H]1CCCC[C@H]1CN[C@H](C)c1ccccc1OC(F)F	218159532	OQMOJADAKAYSAA-MJBXVCDLSA-N	297.389	4.765	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](O)[C@@H](C/C=C\c2ccccc2)C1	218322251	ULYRTCMRPPTVQH-XIWROIHLSA-N	258.405	4.523	70	10	CJIE	
CCN[C@@H]1CCCCCCCCCC[C@H]1N1CC[C@@H](C)C1	218663847	PRAAGLVFKGXGFO-GUDVDZBRSA-N	294.527	4.590	70	10	CJIE	
F[B-](F)(F)/C=C\c1cccc(-c2cccs2)c1	309646390	ZHKDNCMCXOJTDC-SREVYHEPSA-N	253.077	4.815	70	10	CJIE	
F[B-](F)(F)C=Cc1cccc(Br)c1Cl	1912967615	WEMMLBBKOOOLSI-UHFFFAOYSA-N	284.291	4.502	70	10	CJIE	
C=C(CCN(Cc1ccccc1)[C@H](C)C(C)C)[B-](F)(F)F	1954698520	RJCMSQUZQDYPTK-OAHLLOKOSA-N	298.181	4.866	70	10	CJIE	
C=C(CCOC[C@@H](CC)CCCC)[B-](F)(F)F	1978067584	MOARWMFGXIOTMB-LBPRGKRZSA-N	251.121	4.552	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1OC[C@@H]1C[C@@H](C)C[C@@H](C)C1	2149171205	SXOBOMRGLIDYHV-IMRBUKKESA-N	299.165	4.501	70	10	CJIE	
CC(C)(C)C1CCC(CN)([C@H]2C[C@@H]2c2ccccc2)CC1	159402175	BAAOFOLEFQXGHS-NNVNDSJASA-N	285.475	4.972	70	10	CJIE	
CCCC[C@](CC)(CNCC)[C@@H]1C[C@@H]1c1ccccc1	159421290	XPBPRCVWMRYYJE-GUDVDZBRSA-N	273.464	4.986	70	10	CJIE	
CCc1ccc(C[C@H](CNCC(C)C)C2CCCC2)cc1	160014531	AUEUXGBYYHTLCN-HXUWFJFHSA-N	287.491	4.844	70	10	CJIE	
CCCCOCCCN[C@@H]1CCCC[C@H]1c1ccccc1	160249503	WQCIGSLRDBTJQT-RBUKOAKNSA-N	289.463	4.509	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)c1ccc(Cl)cc1N	161107424	MTHXZNKRGUKWNO-UHFFFAOYSA-N	295.769	4.615	70	10	CJIE	
CCC(C)(C)c1ccc2oc(CNC)c(C3CC3)c2c1	161251630	AMTXAVWEXACSFV-UHFFFAOYSA-N	271.404	4.717	70	10	CJIE	
CCc1cc(C(C)(C)C)c2oc(CNC)c(C3CC3)c2c1	161348568	CUXAHSAZJASKRE-UHFFFAOYSA-N	285.431	4.890	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1cccc2cccnc12	161371487	MJKWBLARSZMJOX-SFHVURJKSA-N	280.415	4.776	70	10	CJIE	
CC(C)[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)c1ccccc1	217642695	VCKZUVIXHHUYQJ-FNHZYXHNSA-N	283.415	4.890	70	10	CJIE	
CCN[C@H]1CC[C@H](CC)C[C@@H]1Cc1ccccc1Cl	217672721	VEZIXKXSNYOIEE-LXZKKBNFSA-N	279.855	4.687	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1N[C@H](CC)c1ccc(F)cc1	217853172	XMJZFLWACMWJGY-XKQJLSEDSA-N	263.400	4.835	70	10	CJIE	
C[C@H]1CCC[C@@H]([C@@H](O)Cc2cccc3ccccc23)C1	217924263	KPWCPGIBPSIXAR-YJLNNSPDSA-N	268.400	4.570	70	10	CJIE	
CCC[C@H]1CC[C@@H](O)[C@@H](Cc2ccc(Cl)s2)C1	218296380	HDMZHLSNVFUPBN-DMDPSCGWSA-N	272.841	4.521	70	10	CJIE	
C=C(CCN1CCCC2(CCCCC2)CC1)[B-](F)(F)F	2114875654	CFIPJCVNDUGALO-UHFFFAOYSA-N	288.186	4.756	70	10	CJIE	
CC(C)CCC[C@@H](C)CCN1CC[C@@H]([B-](F)(F)F)C1	2319655628	JABJNABNLSXRHF-ZIAGYGMSSA-N	278.191	4.762	70	10	CJIE	
CC(C)CNCC1([C@H]2C[C@H]2c2ccccc2)CCCC1	159415623	BIEPRJIOHGRDJJ-ROUUACIJSA-N	271.448	4.596	70	10	CJIE	
CCSCC[C@H](C)NCc1ccc(C(C)(C)C)cc1	159954714	OKZRJXGAEDLWOU-AWEZNQCLSA-N	279.493	4.605	70	10	CJIE	
FC(F)(F)c1cccc([C@H]2CCNC[C@@H]2C2CCCC2)c1	160122303	FOHOIWYWNJWDKS-HZPDHXFCSA-N	297.364	4.589	70	10	CJIE	
O[C@H](Cc1ccc(F)c(F)c1)c1cccc(C2CCC2)c1	160162543	RQVVEJMMNMRNJX-GOSISDBHSA-N	288.337	4.508	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](O)Cc1ccc(F)cc1	160997269	VMZLDPMSQPJSNL-SFHVURJKSA-N	280.342	4.563	70	10	CJIE	
CCCN[C@@H](Cc1ccc(CC)s1)C1C(C)(C)C1(C)C	161200781	YKGLTCDXCGZEDK-HNNXBMFYSA-N	293.520	4.903	70	10	CJIE	
CCCc1c(CNC2CC2)oc2c(C(C)C)cccc12	161371109	UCAVLFXGICQQCG-UHFFFAOYSA-N	271.404	4.761	70	10	CJIE	
COc1ccc([C@@H](C)N[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1	217883810	DJUKFNILDZFJAQ-SFUIVIKGSA-N	289.463	4.807	70	10	CJIE	
CCCC[C@@H](CC)C[C@]1(N)C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217890561	SNEUFMHZEJIAIJ-YRDXOGEASA-N	263.469	4.747	70	10	CJIE	
COc1c(C)ccc(N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1C	218074764	HRDVZAJNRCZGJQ-ZSZQSSIHSA-N	287.447	4.939	70	10	CJIE	
Cc1nc2cc(N[C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)ccc2o1	218088359	ZMMQFVUOZHJPDB-PZPSRYQVSA-N	284.403	4.763	70	10	CJIE	
C[C@H]1CCCC[C@@H]1N[C@H](C)c1ccc(Br)cc1	160022664	OHVBBSGTEDKYMR-ZOWXZIJZSA-N	296.252	4.678	70	10	CJIE	
CN[C@@H](CC(C)(C)C)c1c(C)ccc2ccccc12	160888648	MFLBHLMASPRJCF-INIZCTEOSA-N	255.405	4.845	70	10	CJIE	
CCc1ccsc1[C@@H](O)c1c(C)ccc2ccccc12	160968657	USTBSSGZTZGVGC-KRWDZBQOSA-N	282.408	4.854	70	10	CJIE	
CC(C)(C)NC[C@@H](C[C@H]1CCC(C)(C)O1)C1CCCC1	160980031	HMLIJAOXYVIQQB-HZPDHXFCSA-N	281.484	4.529	70	10	CJIE	
CCCNCc1oc2c(C)ccc(C)c2c1CCC	161240505	XCXFTBPSYSQSMP-UHFFFAOYSA-N	259.393	4.502	70	10	CJIE	
CCOC1(C(=O)Cc2cc(C)cc(C)c2)CCCCCC1	161348228	VJZXDLOLSUCCKL-UHFFFAOYSA-N	288.431	4.545	70	10	CJIE	
CN[C@H]1CC[C@@H](C)C[C@@H]1Cc1ccc(Cl)cc1Cl	217630566	LAIIPEXCDPUXHB-HCKVZZMMSA-N	286.246	4.560	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCCN[C@@H]1CCC[C@@H](C)C1	217896660	JUIQQINVIKILKY-ZRSRNVLSSA-N	295.511	4.632	70	10	CJIE	
FC(F)(F)Sc1ccc(N[C@@H]2C[C@H]3CC=C[C@H]32)cc1	218185036	VNXJAMZIMWSPKC-OASPWFOLSA-N	285.334	4.675	70	10	CJIE	
CCC[C@@H]1CC[C@H](CNC)[C@@H](Cc2cc(F)cc(F)c2)C1	218726978	FKUYNFZSVJKDPZ-FVQBIDKESA-N	295.417	4.559	70	10	CJIE	
CCCN[C@@H]1CC[C@H](CCC)C[C@@H]1Oc1cccc(C)c1	218773186	HCZMNSCJCZCFOI-UHOSZYNNSA-N	289.463	4.711	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@H]1c1cc(Cl)sc1Cl	1882186178	SYHTWRSAIHTFJG-WVZVXSGGSA-N	259.896	4.760	70	10	CJIE	
F[B-](F)(F)C=Cc1ccc(-c2ccccc2)s1	1994923691	GMFMPRWCVBNGBW-UHFFFAOYSA-N	253.077	4.815	70	10	CJIE	
C=C(CCN1CCCCC12CCCCC2)[B-](F)(F)F	2044972055	DDEDXIXHQSARIQ-UHFFFAOYSA-N	274.159	4.508	70	10	CJIE	
Cc1ccc([C@@H](O)c2cccc(C3CCC3)c2)cc1Cl	160198979	PHVOXRNEDJFGGE-SFHVURJKSA-N	286.802	4.998	70	10	CJIE	
CCOC1(c2nc(Cl)c(C)c(CC)n2)CCCCCC1	160419513	ZMTBSLMHWGRXFC-UHFFFAOYSA-N	296.842	4.587	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc(C(=O)c3ccoc3)ccc21	161475708	AHOFETULWQTVRP-UHFFFAOYSA-N	282.383	4.860	70	10	CJIE	
CC(C)(C)/C=C/NC(=O)Nc1c(Cl)cccc1Cl	218571608	WBBWJRLKKIIRQT-BQYQJAHWSA-N	287.190	4.675	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1O[C@@H]1CCCC[C@@H]1CC	2197461584	NFRKPWMQSOPQHU-SWLSCSKDSA-N	299.165	4.651	70	10	CJIE	
CCC[C@@H](CC)COc1cc(C)cc([B-](F)(F)F)c1C	2353345766	VFWIYFXSKVTWDB-CYBMUJFWSA-N	287.154	4.563	70	10	CJIE	
COC1(c2nc(Cl)cc(C(C)(C)C)n2)CCCCCC1	160376477	WQBVZQMVYRSEOU-UHFFFAOYSA-N	296.842	4.623	70	10	CJIE	
CCN[C@H](Cc1ccc(C(C)(C)C)cc1)C[C@@H](C)CC	161265798	PMPOJPFAAQMTQD-YJBOKZPZSA-N	275.480	4.941	70	10	CJIE	
CCCN[C@@H](CCc1cccs1)CC1=CCCCC1	161383447	VOLJBIPJOISAPN-INIZCTEOSA-N	277.477	4.939	70	10	CJIE	
CCCN[C@H](Cc1ccc(Cl)cc1)[C@H]1CCCCS1	161417916	RZKUJKQKYSNBNY-HZPDHXFCSA-N	297.895	4.536	70	10	CJIE	
Cc1cccc(CN[C@H]2C[C@H](C)CC[C@H]2C(C)C)c1C	217520481	SQZRMIMILHPTFH-CCKFTAQKSA-N	273.464	4.854	70	10	CJIE	
CCCCc1ccc(NC(=O)NC=C2CCCCC2)cc1	218666212	KHAVWJFFIGSHCR-UHFFFAOYSA-N	286.419	4.999	70	10	CJIE	
C=C(CCN(C)[C@H]1CCC[C@@H](CC)CC1)[B-](F)(F)F	2044973063	UOJYMXGRLKWBKY-KGLIPLIRSA-N	276.175	4.610	70	10	CJIE	
CO[C@@H](CSCC(=C(C)C)[B-](F)(F)F)C1CCCC1	2317991104	RHRQFLTYVOWPJE-ZDUSSCGKSA-N	295.199	4.648	70	10	CJIE	
CC[C@]1(C)CCCN(CC(=C(C)C)[B-](F)(F)F)CC1	2317993441	YZICBSLXSGCIRM-CQSZACIVSA-N	276.175	4.612	70	10	CJIE	
CCCNc1cc(Oc2cccc(C(C)(C)C)c2)ccn1	159378024	LFOOQMZZOFCUMV-UHFFFAOYSA-N	284.403	4.993	70	10	CJIE	
CCOC(CC)(CC)C(=O)c1cccc2ccccc12	160687489	HMSCQPNDISASLW-UHFFFAOYSA-N	270.372	4.618	70	10	CJIE	
N[C@@H](CC1CCCCC1)c1ccc(OC(F)(F)F)cc1	161042601	NWBIKBXEJYNXNI-AWEZNQCLSA-N	287.325	4.555	70	10	CJIE	
Cc1ccc([C@@H](N)c2cc3ccc(F)cc3s2)c(C)c1	161132835	JGIGJDIDDYFCON-QGZVFWFLSA-N	285.387	4.705	70	10	CJIE	
CCN[C@@H](Cc1ccc(CC)s1)c1cc(C)cc(C)c1	161227663	LNYSPWNGIXWFMM-SFHVURJKSA-N	287.472	4.821	70	10	CJIE	
CCOC1(C(=O)c2cccc(CC)c2)CCC(C)(C)CC1	161242433	PNOZCIVQJZSXKM-UHFFFAOYSA-N	288.431	4.807	70	10	CJIE	
CCCN[C@H](c1ccc(CC)cc1)[C@@H]1CCCCS1	161449256	KWKAMWXYCQENCJ-DLBZAZTESA-N	277.477	4.575	70	10	CJIE	
C[C@H]1Cc2nc(C3CCCCCCC3)[nH]c2C[C@@H]1C	216979159	AAAMPRCSLWOELR-STQMWFEESA-N	260.425	4.608	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NC)[C@@H](Cc2ccc(Cl)cc2)C1	217708610	UGTHZRGZJXVIAP-FRFSOERESA-N	279.855	4.687	70	10	CJIE	
CCCCN([C@H](C)CC)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CN	217846751	OVEJKIGQDFIZFY-BRSBDYLESA-N	296.543	4.677	70	10	CJIE	
CCN[C@@H](c1cc(C)cc(C)c1)[C@H]1CCC[C@@H](C)C1	218005594	WXJYNWCWDBJIAO-RPVQJOFSSA-N	259.437	4.780	70	10	CJIE	
Cc1nc2ccc(N[C@H]3C[C@H]4C[C@@H]3[C@@H]3CCC[C@@H]43)cc2s1	218059048	WBHBZWARSGIXCM-QNOGJNQQSA-N	298.455	4.841	70	10	CJIE	
Cc1cccc(CC[C@H](C)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1	218074278	SEHXJGSZUZHSRL-VUHPKUFZSA-N	273.464	4.730	70	10	CJIE	
Cc1nn(C(C)C)c(C)c1N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218113552	QHJJRIHPSHOJTK-RVKKMQEKSA-N	289.467	4.708	70	10	CJIE	
CC[C@@H]1CC[C@H](CN)[C@@H](c2cccc3ccccc23)C1	218657452	TYWYJXZOGVNTEH-OGWOLHLISA-N	267.416	4.708	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@@H]1c1ccc(Br)cc1Cl	1885274706	NXRJMHOYEXEPJM-SFYZADRCSA-N	298.318	4.807	70	10	CJIE	
C=C(CCO[C@@H]1C[C@H](C)CC(C)(C)C1)[B-](F)(F)F	1999702661	QLJKEFWNMXJOIJ-CMPLNLGQSA-N	263.132	4.551	70	10	CJIE	
COc1ccc2ccccc2c1[C@@H]1C[C@H]1[B-](F)(F)F	2059003461	OGZOSTDRCGTKME-VXGBXAGGSA-N	265.063	4.553	70	10	CJIE	
CCSCC[C@H](C)N[C@@H](C)C12CC3CC(CC(C3)C1)C2	159971355	AQXJQTQHEKQFGW-IWECOHLESA-N	295.536	4.713	70	10	CJIE	
CC(C)CNC[C@@H](Cc1cc(F)ccc1F)C1CCCC1	160015475	GYTRYZIAOKASEV-MRXNPFEDSA-N	295.417	4.559	70	10	CJIE	
CC(C)(C)c1ccc([C@H]2CCNC[C@@H]2C2CCCC2)cc1	160118170	ZRFKAQINLFEUHP-RTBURBONSA-N	285.475	4.867	70	10	CJIE	
CCN[C@H](c1sccc1C)C1C2CC3CC(C2)CC1C3	160142310	YEJBZCVZLZBFEC-GPHONZHMSA-N	289.488	4.779	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](O)Cc1cccc(F)c1	161000316	QWPSOUOQBOZTDH-SFHVURJKSA-N	280.342	4.563	70	10	CJIE	
CCCc1c(CNC(C)C)oc2c(Cl)cc(C)cc12	161461190	ZYSOWYGNTLPJOB-UHFFFAOYSA-N	279.811	4.845	70	10	CJIE	
C[C@@H]1CCCc2[nH]c([C@@H]3CC[C@@H]4CCCC[C@@H]4C3)nc21	216847591	DEXMMYGQBNKZHO-LXTVHRRPSA-N	272.436	4.923	70	10	CJIE	
CCc1ccc([C@H](C)N[C@@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)s1	217578904	IQCCJUFDJJGMEY-RMADRBSHSA-N	289.488	4.786	70	10	CJIE	
CCN[C@H]1CC[C@@H](CC)C[C@@H]1CCCc1ccccc1	217666838	NZCRBINOVJBQFU-NEWSRXKRSA-N	273.464	4.814	70	10	CJIE	
CCC1CCC(CN[C@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)CC1	218115527	ASPCQJGNLHKCMF-WHLLUQQTSA-N	275.480	4.617	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1cc(F)c(F)cc1F	218194223	GXFWGMWUNWNXPK-RWSFTLGLSA-N	285.353	4.977	70	10	CJIE	
Cc1cc2c(n1[C@H]1CCC[C@@H](C)[C@H]1C)CC(C)(C)CC2=O	218608155	VUGUBJFFDDJFEZ-XPKDYRNWSA-N	287.447	4.949	70	10	CJIE	
Cc1cc([B-](F)(F)F)ccc1OCCCCC[C@H]1C[C@H]1C	2284857033	CNWYASGYRUWAKQ-OCCSQVGLSA-N	299.165	4.645	70	10	CJIE	
CC(C)=C(CN1CCC[C@@H]1C1CCCCC1)[B-](F)(F)F	2340130097	TVBUIHYCGNLPGX-OAHLLOKOSA-N	288.186	4.754	70	10	CJIE	
CC[C@@H](C)C[C@@H](CC)N[C@H](C)c1ccc(OC)cc1	160088326	PAVACWHXCDENPJ-IIAWOOMASA-N	263.425	4.561	70	10	CJIE	
O[C@@H](CC1=CCCCC1)c1cccc(C(F)(F)F)c1	161060235	AYQQYZABYDEYEQ-AWEZNQCLSA-N	270.294	4.629	70	10	CJIE	
CC(C)[C@@H](N[C@H]1C[C@@H]2CC=C[C@H]21)c1ccc(Cl)cc1	217789665	ADKNFAKVGXLXIR-PQEBFOHHSA-N	275.823	4.591	70	10	CJIE	
CCCCN([C@H](C)CC)[C@H](c1ccccc1Cl)[C@@H](C)N	217831943	UTMNGBQYXCHBEA-CPUCHLNUSA-N	296.886	4.629	70	10	CJIE	
CCCN[C@@H]1CCCc2nc([C@H]3CCC[C@@H](C)C3)sc21	218077063	ZUXRWXAGEZGHOO-HZSPNIEDSA-N	292.492	4.814	70	10	CJIE	
C=C(CCOc1cc(C)c(Cl)cc1C)[B-](F)(F)F	2017912104	JAUKTXSBTLGTQB-UHFFFAOYSA-N	277.502	4.669	70	10	CJIE	
C=CCCCCCCOc1ccc([B-](F)(F)F)cc1C	2141921193	IHZLJYWYHZISMG-UHFFFAOYSA-N	285.138	4.565	70	10	CJIE	
CC(C)=C(C)COc1ccc2cc([B-](F)(F)F)ccc2c1	2192536548	BKEABVVHUHVWGS-UHFFFAOYSA-N	293.117	4.629	70	10	CJIE	
CCCNc1cc(Oc2ccccc2C(C)(C)C)ccn1	159369466	QTXMTCUUALFMSS-UHFFFAOYSA-N	284.403	4.993	70	10	CJIE	
CCCc1ccccc1NC1=NCC2(CCCC2)CS1	160226500	NBWYAXOCBVNNAL-UHFFFAOYSA-N	288.460	4.714	70	10	CJIE	
CCCCOCCCN[C@@H](CCCC)c1ccccc1	160241545	ROQGHMPJCOMCGX-SFHVURJKSA-N	277.452	4.714	70	10	CJIE	
CN[C@H](Cc1ccc(F)cc1Cl)c1c(C)oc(C)c1C	160589722	RVCIDTMGFBKNHV-OAHLLOKOSA-N	295.785	4.501	70	10	CJIE	
CCCN[C@H](CCC)[C@@H](CC)N1CCC[C@@H]2CCCC[C@H]21	218656426	BNBHUGCKEFXISS-WJFTUGDTSA-N	294.527	4.588	70	10	CJIE	
C[C@@H]1CCC[C@@H](CCN2CC[C@@](C)([B-](F)(F)F)C2)C1	2319729486	FTDJZMVRJNJVTK-HZSPNIEDSA-N	276.175	4.516	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](N)c1ccc(Cl)cc1	160860883	RXUHZIBZZSBPOJ-GOSISDBHSA-N	281.786	4.850	70	10	CJIE	
CCC[C@@H]1CCC[C@H](Nc2cccc(N(C)C)c2)CC1	161127605	FKCPIZUBJSPWQW-CVEARBPZSA-N	274.452	4.914	70	10	CJIE	
CCOC1(C(=O)C2C[C@@H](C)C[C@H](C)C2)CCCCCC1	161341865	ARADJUJQOIBBOQ-GJZGRUSLSA-N	280.452	4.757	70	10	CJIE	
CCCc1c(CNCC)oc2ccc(C(C)C)cc12	161361991	AIKZWNKZFOJDLQ-UHFFFAOYSA-N	259.393	4.618	70	10	CJIE	
Cc1cc(CN[C@H]2C[C@H](C)CC[C@H]2C(C)C)ccc1F	217523415	GIZOXMZNKJIAQK-SKDZVZGDSA-N	277.427	4.685	70	10	CJIE	
CN[C@H]1CC[C@H](C(C)(C)C)C[C@@H]1Cc1ccc(F)cc1F	217752199	DHSFZPUMGREPEK-ZQIUZPCESA-N	295.417	4.558	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1N[C@H](C)Cc1ccsc1	218141406	HWCAWJWPIKLTHV-ABFRBSLYSA-N	279.493	4.730	70	10	CJIE	
C[C@H]1CCC[C@H]1N[C@H](C)CC(C)(C)c1ccccc1	218208692	NRJOMYZUJSMGHB-ZMSDIMECSA-N	259.437	4.521	70	10	CJIE	
CCC(CC)COc1ccc2cc([B-](F)(F)F)ccc2c1	312180425	NFINZRJAYLSJRT-UHFFFAOYSA-N	295.133	4.709	70	10	CJIE	
C=C(CCN(Cc1ccccc1)[C@@H](C)C(C)C)[B-](F)(F)F	1954698519	RJCMSQUZQDYPTK-HNNXBMFYSA-N	298.181	4.866	70	10	CJIE	
CC(C)=C(COCC[C@@H]1CC[C@H]1C1CC1)[B-](F)(F)F	2319624307	XQKLGQZQTJDRIQ-STQMWFEESA-N	275.143	4.552	70	10	CJIE	
CC[C@@H](c1cccc(C)c1)[C@@H](C)CBr	145698594	NTATZSLCMJJKMV-WCQYABFASA-N	255.199	4.520	70	10	CJIE	
O[C@H](CCC1CCCC1)c1ccccc1C1CCC1	160028824	QTNMPDKNQOKLIP-GOSISDBHSA-N	258.405	4.958	70	10	CJIE	
C[C@@H](C[C@H](O)Cc1ccc(Cl)cc1F)CC(C)(C)C	160397077	UDNVVQYBVUUPRO-FZMZJTMJSA-N	286.818	4.845	70	10	CJIE	
Clc1cccc2c1O[C@@H](c1cc3ccccc3o1)CN2	160548700	ZKGQKOYHUFWENE-OAHLLOKOSA-N	285.730	4.632	70	10	CJIE	
Cc1cccc([C@H](N)Cc2ccc(C(C)(C)C)cc2)c1F	161256768	LWGWFZLZEKILHZ-QGZVFWFLSA-N	285.406	4.674	70	10	CJIE	
CCCCCN(C(C)C)[C@@H](c1cccc(F)c1)[C@@H](N)CC	217825575	RJIFPFMKHQIVMW-ROUUACIJSA-N	294.458	4.505	70	10	CJIE	
CCCC[C@H](CC)C[C@]1(N)C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217890622	SNEUFMHZEJIAIJ-WEVKCVHISA-N	263.469	4.747	70	10	CJIE	
CC[C@@H]1CC[C@@H](O)[C@@H](Cc2cccc3ccccc23)C1	218288627	CHCKUJIUIPRHCJ-LSBZLQRGSA-N	268.400	4.570	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@@H](O)[C@@H](CCCc2ccccc2)C1	218304609	DAJCABRCKQJQLG-RCCFBDPRSA-N	274.448	4.833	70	10	CJIE	
CC[C@H]1CC[C@H](N)[C@@H](C[C@@H]2CCCc3ccccc32)C1	218455731	XBPZTCHIVQMMRW-RMRDIRSESA-N	271.448	4.650	70	10	CJIE	
Cc1cccc(C(C)C)c1NC(=O)N/C=C/C1CCCC1	218582445	DXYUJTDRXBJESA-VAWYXSNFSA-N	286.419	4.944	70	10	CJIE	
CC[C@H]1CC[C@H](CN2CCC[C@@H]([B-](F)(F)F)C2)CC1	2072872398	BCUGCKBXAUXTNQ-MGPQQGTHSA-N	276.175	4.516	70	10	CJIE	
C=C(CCOCc1cccc(C(C)C)c1)[B-](F)(F)F	2320650811	XFVQKMRKQKIMSH-UHFFFAOYSA-N	271.111	4.660	70	10	CJIE	
C[C@@]1([B-](F)(F)F)CCN(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2342526126	JJEYQXAEMTWCHS-CBBWQLFWSA-N	288.186	4.516	70	10	CJIE	
C[C@@H](NCc1cccc2cc[nH]c12)c1cccc(Cl)c1	218064078	UDVSLCXDULVGPZ-GFCCVEGCSA-N	284.790	4.672	70	10	CJIE	
Cc1ccc(OC[C@H](C)CC(C)(C)C)c([B-](F)(F)F)c1	709116897	WYEQOZREKKSQPO-GFCCVEGCSA-N	287.154	4.501	70	10	CJIE	
F[B-](F)(F)/C=C/c1cccc(Br)c1Cl	1882178443	WEMMLBBKOOOLSI-SNAWJCMRSA-N	284.291	4.502	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1c1ccc(Br)c(Cl)c1	1885275073	RKAQHVULSYEZKZ-RNFRBKRXSA-N	298.318	4.807	70	10	CJIE	
CCCC[C@@H](CC)CN1CCC[C@@H]([B-](F)(F)F)C1	2016103252	LOTKFPQDLMBGEH-CHWSQXEVSA-N	264.164	4.516	70	10	CJIE	
CCCNc1cc(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)ccn1	159362853	WUGPOCQGGKKPLC-USXIJHARSA-N	290.451	4.743	70	10	CJIE	
CCCN[C@@H](CSCc1ccccc1C)C1CCCC1	159377066	OTABWZUHIOEPGV-SFHVURJKSA-N	291.504	4.787	70	10	CJIE	
CCCCCC(C)(C)CNCc1cccc2c1NCCC2	159439767	AYCITBRKAFATCS-UHFFFAOYSA-N	288.479	4.741	70	10	CJIE	
CCSCC[C@H](C)N[C@@H](C)c1cc2c(s1)CCCC2	160042395	VPPCXULFYGETBX-STQMWFEESA-N	297.533	4.809	70	10	CJIE	
CCC[C@@H](C)[C@H](NC)c1c(C)ccc2ccccc12	160883626	KSLNZCRRTQKVHY-KDOFPFPSSA-N	255.405	4.845	70	10	CJIE	
CCCC[C@@](CC)(CNCCC)C[C@@H]1CCC(C)(C)O1	160905328	XWCJIDNSMLWPRE-FUHWJXTLSA-N	283.500	4.920	70	10	CJIE	
CCc1ccc([C@@H](N)Cc2ccc(C(C)(C)C)cc2)s1	161290430	KGWAXHVGEKZJPT-INIZCTEOSA-N	287.472	4.851	70	10	CJIE	
CC[C@H](C)c1ccccc1NC(=O)NCc1ccc(C)cc1	217315214	KRJSCQMKYFXPDT-HNNXBMFYSA-N	296.414	4.830	70	10	CJIE	
CC[C@@H](C)[C@H](c1ccccc1)[C@@H](NC)C1=CCCCC1	217882924	GJMQBOVXEVCGKA-LZQZEXGQSA-N	271.448	4.905	70	10	CJIE	
CC[C@H](N[C@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1OC	217883427	IAGXHIBXAHRPRL-OHFALNGGSA-N	275.436	4.561	70	10	CJIE	
C=C(CN(Cc1ccccc1)C1CCCCC1)[B-](F)(F)F	1932019178	NKOXWZLEPSBFLR-UHFFFAOYSA-N	296.165	4.764	70	10	CJIE	
CCSCC[C@@H](C)NC1CC(c2ccccc2Cl)C1	160020559	JCQMFXDOZWQXLJ-IYXRBSQSSA-N	297.895	4.707	70	10	CJIE	
CCCN[C@H](Cc1ccc(F)cc1Cl)[C@H](C)CCC	160625347	NTXHGADMTZMGPF-MLGOLLRUSA-N	285.834	4.826	70	10	CJIE	
CCOCc1ccccc1NCc1ccc(Cl)cc1F	160763619	HXHNRJKDZAVSRW-UHFFFAOYSA-N	293.769	4.628	70	10	CJIE	
CNCc1ccc(F)c(-c2c(C)ccc3ccccc23)c1	160963291	JAIWBWFSJXKLQO-UHFFFAOYSA-N	279.358	4.674	70	10	CJIE	
Cc1cncc([C@H]2CC(C)(C)CC[C@@H]2CNC(C)(C)C)c1	161041723	RTLZZPUNLOPURP-WBVHZDCISA-N	288.479	4.688	70	10	CJIE	
N[C@H](CC1=CCCCC1)Cc1csc2ccccc12	161210703	VHTWCGYSJPJSJL-OAHLLOKOSA-N	271.429	4.662	70	10	CJIE	
CN[C@H](Cc1ccc(C(C)(C)C)cc1)CC1CCCC1	161296399	YQNSRVCGACMIIN-SFHVURJKSA-N	273.464	4.695	70	10	CJIE	
Cc1c([C@@H](C)NCCCC2CC2)oc2ccccc12	161405006	BPPNZBVJNQHVEI-CYBMUJFWSA-N	257.377	4.582	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1N[C@@H](C)c1ccsc1	217530315	AJAMXTPZNJEHJE-UGQVUOCMSA-N	265.466	4.860	70	10	CJIE	
C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)o1	217635180	MGWKGUXDLZCANY-HOFLAQHISA-N	287.447	4.707	70	10	CJIE	
Cc1cc(C)c(CN[C@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c(C)c1	218007635	RJPNMJXQNIUSEM-LYYGHALDSA-N	283.459	4.526	70	10	CJIE	
C[C@@H]1CCCC[C@H]1CN[C@H](c1ccccc1)c1ccco1	218162417	VQYBEOYRIJLWOH-HHXXYDBFSA-N	283.415	4.785	70	10	CJIE	
C[C@@H]1CCCC[C@@H]1OC[C@@H](O)c1ccc(C(C)(C)C)cc1	218548938	TXCUGMFQTGSRQG-OLMNPRSZSA-N	290.447	4.613	70	10	CJIE	
CCCOc1ccccc1OCC(=C(C)C)[B-](F)(F)F	2340164240	VZUQGCAJAGZGIU-UHFFFAOYSA-N	287.110	4.577	70	10	CJIE	
C[C@@]1([B-](F)(F)F)CCN(C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2342492463	HATIJANDYWOMRE-BYNSBNAKSA-N	288.186	4.516	70	10	CJIE	
CCCNc1cc(Oc2c(C)cc(Cl)cc2C)ccn1	159369316	PKZYQCRGNQXAGF-UHFFFAOYSA-N	290.794	4.966	70	10	CJIE	
Cc1cccc(-c2c(-c3cccc(C)c3Cl)noc2N)c1	160366609	RHFDUFLJPKSXGY-UHFFFAOYSA-N	298.773	4.861	70	10	CJIE	
COc1ccc(Cl)cc1N[C@H]1CCc2ccc(C)cc21	160758354	YHRJNHKGUJXIKS-HNNXBMFYSA-N	287.790	4.756	70	10	CJIE	
Cc1ccc2c(c1)[C@H](Nc1cccc3cnccc13)CC2	160778357	CAOUREGUTAAMFN-LJQANCHMSA-N	274.367	4.643	70	10	CJIE	
Cc1ccc(F)cc1C(=O)c1c(C)ccc2ccccc12	160825760	PSVSPLVLTCRIAZ-UHFFFAOYSA-N	278.326	4.827	70	10	CJIE	
CCC[C@H](C)[C@@H](Cc1ccc(C(C)(C)C)cc1)NC	161244670	IDNXARBPUXSFKA-WMLDXEAASA-N	261.453	4.551	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)C[C@@H]1Cc2ccccc21	161406169	NNKZMGAZPNHMAU-RBUKOAKNSA-N	283.459	4.975	70	10	CJIE	
CCCCC1CCC(c2nc3c([nH]2)C[C@@H](C)CC3)CC1	216967986	YDOPFQNYWZAGMZ-NFOMZHRRSA-N	274.452	4.999	70	10	CJIE	
CCCCN([C@H](C)CC)[C@H](c1ccccc1F)[C@@H](N)CC	217829069	BBWVOSUQKQAUSD-FHLIZLRMSA-N	294.458	4.505	70	10	CJIE	
C1=C[C@@H]2[C@H](C1)C[C@H]2Nc1ccccc1Cc1ccccc1	217836502	DLFKTHKPQCFASF-YVWKXTFCSA-N	275.395	4.654	70	10	CJIE	
C[C@H]1CCCC[C@@H]1N[C@H](C)c1ccc(F)cc1Cl	217862676	FRSVXPHOZSVSBQ-RWSFTLGLSA-N	269.791	4.708	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@H](O)[C@@H](Cc2ccccc2Cl)C1	218308376	HDMNPHBOKGLILQ-LZWOXQAQSA-N	280.839	4.706	70	10	CJIE	
CCCC[C@H](CC)CO[C@H](C)[C@@H](O)c1ccc(CC)cc1	218555914	SUARDVUKELHDHX-HHXXYDBFSA-N	292.463	4.904	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](c2ccc(C(F)(F)F)cc2)C1	218741711	PXDXAIPMIGSPFN-XNRPHZJLSA-N	299.380	4.964	70	10	CJIE	
CC[C@H]1CCCC[C@H]1OC[C@@H](NC)c1cc(C)ccc1C	218782377	ZTDHEFNBIVCAMZ-QXAKKESOSA-N	289.463	4.549	70	10	CJIE	
C[Si](C)(C)C#C[Si](C)(Cl)CC[Si](C)(C)Cl	689664894	OGQMWZQSCPCJDB-UHFFFAOYSA-N	297.450	4.664	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@H]1c1ccc(Cl)cc1Br	1885274474	MAGRCBOBHWAUME-JGVFFNPUSA-N	298.318	4.807	70	10	CJIE	
CC(C)=C(CN(C)[C@@H](C)C1(C)CCCC1)[B-](F)(F)F	2317858239	HSKDMNXVAPOSRZ-LBPRGKRZSA-N	276.175	4.610	70	10	CJIE	
CCCc1cccc([C@H](O)c2cccc(F)c2Cl)c1	159822550	XUUCSUCSOADXOE-INIZCTEOSA-N	278.754	4.513	70	10	CJIE	
Cc1ccc(F)c([C@@H](O)c2c(C)ccc3ccccc23)c1	160966856	HFWPDENFFISSPO-LJQANCHMSA-N	280.342	4.677	70	10	CJIE	
CCCCN([C@H](C)CC)C(CN)(CC(C)C)CC(C)C	161060990	XMAWYHMLZBOHDB-QGZVFWFLSA-N	284.532	4.677	70	10	CJIE	
CN[C@H](Cc1ccc(C)cc1)c1cc2ccc(F)cc2s1	161176193	GIBCEOHEQKPFFH-MRXNPFEDSA-N	299.414	4.852	70	10	CJIE	
CN[C@H](CC1=CCCCC1)c1cccc(OC(F)(F)F)c1	161279794	UDNIAZVJCPLODF-OAHLLOKOSA-N	299.336	4.736	70	10	CJIE	
CCCN[C@H](CCCC(F)(F)F)CC1=CCCCC1	161415368	FLPILYJJIKSYOX-CQSZACIVSA-N	277.374	4.978	70	10	CJIE	
CC(C)(C)C1CC(CNC2CC2)(C2=CCCCC2)C1	161459108	BRAWLIKETWBKTC-UHFFFAOYSA-N	261.453	4.681	70	10	CJIE	
CC(C)(C)C(F)(F)c1ccc(Br)cc1	218501410	HMWNHFSHCCPVLF-UHFFFAOYSA-N	263.125	4.587	70	10	CJIE	
CCCC[C@@H](CC)C[C@@H]1C[C@@H](CC)CC[C@@H]1CN	218656639	DZEAIGLNBYKDHT-YYIAUSFCSA-N	253.474	4.994	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(OC[C@H]2CCCC(C)(C)C2)c1	2203134474	PVHNUJIGDPNOGE-ZDUSSCGKSA-N	299.165	4.645	70	10	CJIE	
Cc1ccc(C)c(C(=O)C2C3CC4CC(C3)CC2C4)c1	160110689	FFPAVYVFOTVPDU-UHFFFAOYSA-N	268.400	4.558	70	10	CJIE	
CCC[C@@H]1CCC[C@@H](Nc2ccc(F)c(OC)c2)CC1	160130534	AEUXNALTAGNHAZ-ZIAGYGMSSA-N	279.399	4.995	70	10	CJIE	
CCCC[C@H](C)NCc1ccc(Cl)c2cccnc12	160322452	NEXSDZOBIJELEF-LBPRGKRZSA-N	276.811	4.557	70	10	CJIE	
Fc1cc(Cl)ccc1CNc1cccc2cnccc12	160698562	DEWLCDSWLVVJDO-UHFFFAOYSA-N	286.737	4.639	70	10	CJIE	
CC(C)NCc1oc2ccc(C(C)C)cc2c1C1CC1	161363133	QDNYCEDTUPHANV-UHFFFAOYSA-N	271.404	4.932	70	10	CJIE	
CN[C@@H]1CC[C@H](C)C[C@@H]1Cc1ccc(C(C)(C)C)cc1	217632664	OBDCRIXDKROQSY-YXJHDRRASA-N	273.464	4.551	70	10	CJIE	
CC[C@@H]1CC[C@H](NC)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	217658325	IDSQDYXBWZAWDU-SUMDDJOVSA-N	287.491	4.941	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N[C@@H](C)[C@@H]1C[C@H]2C=C[C@H]1C2	218157959	PDAHOAAWOBCCGD-QAZMUZRASA-N	275.480	4.638	70	10	CJIE	
CCCC[C@@H](CC)CO[C@@H](c1cccs1)[C@@H](N)CC	218267925	NJKRPPTZYORRQR-IJEWVQPXSA-N	283.481	4.760	70	10	CJIE	
CCCCCN(C(C)C)[C@H]1C[C@@H](CCC)CC[C@@H]1NCC	218690529	GZMFUGWVVKLLJI-FHWLQOOXSA-N	296.543	4.834	70	10	CJIE	
CCC[C@H]1CC[C@@H](CN)[C@@H](CCSc2ccccc2)C1	218727533	LDSUSTPNOPLNJB-ULQDDVLXSA-N	291.504	4.960	70	10	CJIE	
CCCCc1ccc(NC(=O)NC=C2CCCC2)cc1	218755389	KHMCJLIOOBLTLQ-UHFFFAOYSA-N	272.392	4.609	70	10	CJIE	
CCc1cc(-c2c(C)ccc3ccccc23)ccc1N	160955607	IPUZBWVOHTTWRZ-UHFFFAOYSA-N	261.368	4.960	70	10	CJIE	
CN[C@@H](Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[C@@H](C)C1	217968946	NLRVDCCEPUMLAI-INWMFGNUSA-N	299.380	4.662	70	10	CJIE	
Cc1ccccc1C[C@H](C)N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	218101652	VVZKQZQYVIKHNY-SMMRIJLZSA-N	287.491	4.976	70	10	CJIE	
CC[C@H]1CC[C@H](O)[C@@H](Cc2ccc(Cl)cc2Cl)C1	218286057	PBJNQOCDKRSWAQ-NVBFEUDRSA-N	287.230	4.723	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@@H]1c1cccc(OCc2ccccc2)c1	1882184333	JYNWOKHLEFUZCD-CVEARBPZSA-N	291.101	4.971	70	10	CJIE	
C=C(CCO[C@H]1C[C@H](C)CC(C)(C)C1)[B-](F)(F)F	1999702662	QLJKEFWNMXJOIJ-JQWIXIFHSA-N	263.132	4.551	70	10	CJIE	
CC(C)(C)C1CCC(Oc2ccc([B-](F)(F)F)cc2)CC1	2144725866	WWVOVQGQQKOXHK-UHFFFAOYSA-N	299.165	4.725	70	10	CJIE	
C[C@H]1CCC[C@H](CCN2CCC([B-](F)(F)F)CC2)C1	2253939377	RZXGIYDFKXRYCT-QWHCGFSZSA-N	276.175	4.516	70	10	CJIE	
Cc1cccc(Oc2ncc(Cl)cc2Br)c1	159890818	LQQDPOSLHHDQOQ-UHFFFAOYSA-N	298.567	4.598	70	10	CJIE	
Cc1ccc(C)c(C[C@@H](CNC(C)C)C2CCCC2)c1	159972002	QWLRCPVNGWQEPO-IBGZPJMESA-N	273.464	4.650	70	10	CJIE	
Cc1oc(C)c([C@H](N)Cc2ccc(Cl)cc2Cl)c1C	160460296	PYPVIXOCCAXLHA-CQSZACIVSA-N	298.213	4.754	70	10	CJIE	
Cc1ccc2c(c1)[C@H](NCc1cc(C)c(F)c(C)c1)CC2	160833992	ZLHLHAGPHXWBQX-GOSISDBHSA-N	283.390	4.528	70	10	CJIE	
CCCc1cccc(C(=O)[C@@]2(OCC)CCC[C@H](C)C2)c1	161166837	MFKGAKUCZXVJNB-HNAYVOBHSA-N	288.431	4.807	70	10	CJIE	
Clc1cccc(Cl)c1CNC/C=C/c1ccccc1	216856552	DHUBPVUIQWRAPC-VMPITWQZSA-N	292.209	4.796	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCCCCNC(C)(C)C	216879574	FGULFRJAMPOMHP-BBWFWOEESA-N	283.500	4.632	70	10	CJIE	
C[C@H]1CCC[C@H](C)C1N[C@H](c1ccccc1)C1CC1	217735290	PBLSOFYUJVTINU-SUNYJGFJSA-N	257.421	4.552	70	10	CJIE	
COc1ccc([C@@H](C)N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1	218075954	AIZUJFJEAJSBAW-FDZBUTDGSA-N	287.447	4.561	70	10	CJIE	
CCCCCC[C@H](C)O[C@H](c1ccc(F)cc1)[C@@H](N)CC	218257935	VZYOQLYZGDNFIQ-JCGIZDLHSA-N	295.442	4.980	70	10	CJIE	
CCNC[C@H](O[C@H]1CCC[C@@H](C)C1)c1cccc(Cl)c1	218760590	HSCDBIKDQZJYRR-COXVUDFISA-N	295.854	4.586	70	10	CJIE	
Cc1ccc([C@H](CNC(C)C)O[C@H]2CCC[C@@H](C)C2)cc1	218762569	RXRUVEUFYIPKIK-NEWSRXKRSA-N	289.463	4.629	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1O[C@@H]1CCC[C@H](CC)C1	2197460483	AHDLAEZVMJOEBS-SWLSCSKDSA-N	299.165	4.651	70	10	CJIE	
CCSCC[C@H](C)N[C@@H]1CC[C@H](C)c2ccccc21	160059620	ULZSEZVIYJNDQF-GRDNDAEWSA-N	277.477	4.746	70	10	CJIE	
Cc1cc(F)ccc1Oc1ccc(CNC(C)C)cc1F	160601683	LCFKPXSQJCQVOI-UHFFFAOYSA-N	291.341	4.564	70	10	CJIE	
CCCN[C@@H](CC1CCCCC1)c1cc(OC)cs1	161037160	UDPHRKHWQIEUGO-HNNXBMFYSA-N	281.465	4.768	70	10	CJIE	
C[C@H](O)c1ccc(Sc2ccc(C(C)(C)C)cc2)cn1	161402365	VWGWIJIRSJMDEC-LBPRGKRZSA-N	287.428	4.584	70	10	CJIE	
CCCNCc1oc2c(Cl)cc(F)cc2c1C1CC1	161438557	KKLUOCCOIMZXDC-UHFFFAOYSA-N	281.758	4.602	70	10	CJIE	
C[C@H]1C[C@@H]([C@@H](NN)c2ccccc2C(C)(C)C)CC[C@H]1C	217318525	LGZFKOJTKHLJEI-LDDOYCOJSA-N	288.479	4.561	70	10	CJIE	
CC[C@H](N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)c1ccco1	217525263	HUNZIXNXTMRDIT-XUWVNRHRSA-N	263.425	4.781	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NC)[C@@H](Cc2cccc(Cl)c2)C1	217708921	VCOKJYSAIAMKTC-FRFSOERESA-N	279.855	4.687	70	10	CJIE	
C1=C[C@@H]2[C@@H](C1)C[C@@H]2Nc1ccccc1Cc1ccccc1	217836416	DLFKTHKPQCFASF-HQRMLTQVSA-N	275.395	4.654	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](c2ccc(C)cc2C)C1	218758419	WHHPJJYFNPNPBA-RYRKJORJSA-N	259.437	4.562	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(OCCCCC[C@H]2C[C@@H]2C)c1	2284870521	JQMVPZLLLGBXNA-KBPBESRZSA-N	299.165	4.645	70	10	CJIE	
CCN[C@H](c1cc(C)ccc1C)c1cccc(C)c1Cl	160297128	NXAIANJCSWWBHB-SFHVURJKSA-N	287.834	4.964	70	10	CJIE	
Cc1ccc([C@H]2Oc3cc(Cl)ccc3N[C@@H]2C)cc1	160557608	GIBCLBNDASPYDE-BZNIZROVSA-N	273.763	4.583	70	10	CJIE	
CC(=O)c1cc(F)c(C)cc1Oc1ccc(F)cc1C	160581770	BAJFEVBGTVUDDB-UHFFFAOYSA-N	276.282	4.577	70	10	CJIE	
CCN[C@@H](c1cccs1)c1c(C)ccc2ccccc12	160920793	SOCPVDUXAOGXAD-SFHVURJKSA-N	281.424	4.909	70	10	CJIE	
CCNCc1oc2c(C)cc(Cl)cc2c1C(C)(C)C	161180581	VZUUYMWGYATIQN-UHFFFAOYSA-N	279.811	4.802	70	10	CJIE	
CCC1CCC(C(=O)C2(OC)CCC(C)(C)CC2)CC1	161290902	SPFOMBMTLNQRRK-UHFFFAOYSA-N	280.452	4.757	70	10	CJIE	
CCCc1c(CNC)oc2c(C(C)(C)C)cc(CC)cc12	161349387	INUPNYOMRTVNRA-UHFFFAOYSA-N	287.447	4.965	70	10	CJIE	
CCCN[C@H](c1ccc(F)cc1F)[C@H]1CCC[C@@H](C)C1	218025257	GWBOBFTYAMAWNC-IGCXYCKISA-N	281.390	4.832	70	10	CJIE	
CC[C@@H]1CC[C@@H](CN)[C@@H](c2ccc(C(F)(F)F)cc2)C1	218672716	QXXCFIDVCYOBGK-OSAQELSMSA-N	285.353	4.574	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(OC[C@H](C)C2CCCCC2)c1	699787323	FVBFZGNHNLTBRJ-ZDUSSCGKSA-N	299.165	4.645	70	10	CJIE	
C[C@H]1CCC(=C[B-](F)(F)F)[C@@H](OCc2ccccc2)C1	1953545328	XUNZOLVIDXYBJF-WFASDCNBSA-N	283.122	4.705	70	10	CJIE	
CCCN[C@@H](CCC(C)C)c1ccc(OC2CC2)cc1	159559065	GIXQPJZUVVDZHR-SFHVURJKSA-N	275.436	4.705	70	10	CJIE	
Cc1cccc(C(=O)[C@H]2CCCc3ccccc32)c1Cl	160351946	ZPKBKDCFWLZQFI-HNNXBMFYSA-N	284.786	4.951	70	10	CJIE	
Cc1cc(C)c([C@H]2CNc3ccc(Cl)cc3O2)c(C)c1	160575738	PCIIGODFVRFQNJ-MRXNPFEDSA-N	287.790	4.811	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](Nc1ccc(OC(C)C)cc1)CC2	160770279	LDTJUPLXGSPEQN-IBGZPJMESA-N	281.399	4.882	70	10	CJIE	
CO[C@]1(C(=O)c2cccc3ccccc23)CCC[C@H](C)C1	161129001	FKJKLLHGWUFNPG-IFXJQAMLSA-N	282.383	4.618	70	10	CJIE	
CCN[C@@H](Cc1ccc(CC)s1)C1(CC)CCCC1	161167982	KWXJPXOEKJWZIW-INIZCTEOSA-N	279.493	4.802	70	10	CJIE	
CCCCCC(CCCCC)NC[C@H](C)N(C)C1CC1	217620843	MOSBRYRHOVUIRM-INIZCTEOSA-N	282.516	4.588	70	10	CJIE	
Cc1cccc([C@@H](CNC(C)C)O[C@H]2CCC[C@@H](C)C2)c1	218760205	FQJBRMXZNHLXFM-NZSAHSFTSA-N	289.463	4.629	70	10	CJIE	
Cc1cc(F)c([C@@H]2C[C@H]2[B-](F)(F)F)c(Br)c1	1894120493	OLECZZOFASKTEK-RNFRBKRXSA-N	295.890	4.602	70	10	CJIE	
F[B-](F)(F)C=Cc1ccc(Br)c(Cl)c1	1912003286	HVPUNXKMQLWDNE-UHFFFAOYSA-N	284.291	4.502	70	10	CJIE	
CN[C@@H](c1c(Cl)cnn1C(C)C)C1CCC(C)(C)CC1	160453556	KAPCSVQYSYMUHK-CQSZACIVSA-N	297.874	4.594	70	10	CJIE	
Cc1ccc2c(c1)[C@H](Nc1c(F)cc(F)cc1F)CC2	160831296	PLTXKBMNJSFPKK-OAHLLOKOSA-N	277.289	4.512	70	10	CJIE	
CC(C)(C)NC[C@H](C[C@H]1CCC(C)(C)O1)C1CCCC1	160979811	HMLIJAOXYVIQQB-JKSUJKDBSA-N	281.484	4.529	70	10	CJIE	
Cc1cc(C)c(CNc2ccc(C)c(N(C)C)c2)c(C)c1	161203167	SWBHYVVAEYMEOV-UHFFFAOYSA-N	282.431	4.598	70	10	CJIE	
CCCN[C@H](c1ccccc1F)[C@@H]1CCC[C@@H](C)C1	218033932	VFSVEWJSUFLYLL-CPUCHLNUSA-N	263.400	4.693	70	10	CJIE	
CC[C@H](N)[C@@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccc(C)o1	218263053	JZEUCOHCFUYWCW-JJAZEVLHSA-N	293.451	4.598	70	10	CJIE	
CC(C)=C(COC[C@H]1C[C@H]1c1ccccc1)[B-](F)(F)F	2340165220	ZDTNTOCWPIPZEP-KGLIPLIRSA-N	283.122	4.530	70	10	CJIE	
Cc1cc(Cl)cc([C@H](O)c2cc3cc(F)ccc3o2)c1	159410770	LWRVYTPVJOMRNN-INIZCTEOSA-N	290.721	4.615	70	10	CJIE	
CC[C@@H]1CC[C@H](CNCC(C)C)[C@H](c2cncc(C)c2)C1	161034662	XAUGEJZGLIWJOK-ZHALLVOQSA-N	288.479	4.546	70	10	CJIE	
Cc1cc([C@H](N)Cc2ccc(C(C)(C)C)cc2)sc1C	161286970	DZLXXWUNUNHLEM-MRXNPFEDSA-N	287.472	4.905	70	10	CJIE	
CC[C@H](C)c1cccc2c(C(C)(C)C)c(CNC)oc12	161380279	MQGIGRCKIYCHGW-LBPRGKRZSA-N	273.420	4.963	70	10	CJIE	
FC(F)(F)c1ccc(Cl)c(N[C@H]2C[C@H]3CC=C[C@@H]23)c1	217798777	VQUDUDZKCBQDSA-UISBYWKRSA-N	287.712	4.735	70	10	CJIE	
CC(C)Oc1ccccc1N[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218100352	GITFRHREDDRROY-UJHHCITNSA-N	285.431	4.710	70	10	CJIE	
Cc1ccc(C(C)C)c(O[C@@H]2C[C@@H](C(C)C)CC[C@H]2N)c1	218768446	WBZXIYSSDNZMAY-KVSKMBFKSA-N	289.463	4.649	70	10	CJIE	
C=CCCCCCCCOCc1ccccc1[B-](F)(F)F	2235534086	XLBAVPVBBGBQSW-UHFFFAOYSA-N	299.165	4.784	70	10	CJIE	
CC(C)=C(CO[C@@H]1CC[C@@H](C)[C@@H](C)C1)[B-](F)(F)F	2301864042	JTYXBINUGXPZIE-GRYCIOLGSA-N	263.132	4.551	70	10	CJIE	
CC[C@H](c1ccccc1)[C@@H](O)c1cc2cccc(F)c2o1	159494093	CSZUFRAFTVUQFX-RHSMWYFYSA-N	284.330	4.799	70	10	CJIE	
Cc1cc(Cl)cc([C@@H](O)Cc2ccc(Cl)cc2F)c1	160401279	OUDKBPMVDPHAIA-HNNXBMFYSA-N	299.172	4.717	70	10	CJIE	
CCN[C@H](CC1CCCCC1)c1ccc(OC(F)F)cc1	161043880	YNWFNZJKHCNZAW-MRXNPFEDSA-N	297.389	4.909	70	10	CJIE	
CCN[C@@H](Cc1ccc(CC)s1)c1sccc1CC	161198349	GBKLVACWKWTPAQ-HNNXBMFYSA-N	293.501	4.828	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)c1cccc(F)c1F	161420970	HXNMYWFWLSWYFD-INIZCTEOSA-N	279.374	4.896	70	10	CJIE	
CC(C)/C(=C/c1cc(F)cc(Cl)c1)CNC(C)(C)C	161436231	SLKZUMAUQVWDFU-AWNIVKPZSA-N	283.818	4.907	70	10	CJIE	
Cc1cc(C)c(C[C@H]2C[C@H](C(C)C)CC[C@H]2N)c(C)c1	217771362	DZAIKPWUEUYSHF-ZHALLVOQSA-N	273.464	4.554	70	10	CJIE	
CCCN[C@@H](Cc1ccccc1C)[C@@H]1CCC[C@@H](C)C1	218030258	JSHREBNUDYHFIP-LZQZEXGQSA-N	273.464	4.732	70	10	CJIE	
CC[C@@H](N[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccccc1	218179884	FSRXXNLZOCHMRG-DJIMGWMZSA-N	259.437	4.942	70	10	CJIE	
Cc1ccc(C23CC([B-](F)(F)F)(C2)C3)cc1Cl	1887484481	HLAKNQFFPVBULK-UHFFFAOYSA-N	259.487	4.672	70	10	CJIE	
CC(C)[C@H](C)COc1ccc2cc([B-](F)(F)F)ccc2c1	2189281687	GCTOJYAYRASXLQ-GFCCVEGCSA-N	295.133	4.565	70	10	CJIE	
Cc1cccc(Cl)c1NCc1cccc2c1NCCC2	159434440	BUGYTTRWQHBNDA-UHFFFAOYSA-N	286.806	4.619	70	10	CJIE	
CN[C@@H](c1cc(C)sc1C)C1C2CC3CC(C2)CC1C3	160133560	IPLKSDVNDBYDAI-OLKDXYPGSA-N	289.488	4.698	70	10	CJIE	
CCCN[C@H](Cc1ccc(F)cc1Cl)c1coc(C)c1	160569630	BXFVDLVZIXOTAP-MRXNPFEDSA-N	295.785	4.664	70	10	CJIE	
CN[C@@H](Cc1ccc(Cl)s1)c1c(C)cc(C)cc1C	160845087	ANYQVGHSIYOQSO-AWEZNQCLSA-N	293.863	4.830	70	10	CJIE	
CCN[C@@H](Cc1ccc(Cl)s1)c1ccc(C)c(C)c1	160926701	PRSFJDWLJFLWFE-HNNXBMFYSA-N	293.863	4.912	70	10	CJIE	
CO[C@H](C(=O)c1ccc(C(C)(C)C)cc1)C1CCCCC1	161398849	CBYXQPVOLQMLJT-SFHVURJKSA-N	288.431	4.762	70	10	CJIE	
CCCCc1ccc([C@@H](C)NCCCC2CC2)cc1	161465699	RNIVLKINMYIIGF-OAHLLOKOSA-N	259.437	4.870	70	10	CJIE	
CC(C)CNCc1oc2c(F)c(F)ccc2c1C(C)(C)C	161467089	BUJMHCXGPVBKRB-UHFFFAOYSA-N	295.373	4.754	70	10	CJIE	
CCOc1ccc([C@@H](C)N[C@H](CC)C[C@@H](C)CC)cc1	218076292	VDYOLVNWZWPJSI-ZMSDIMECSA-N	277.452	4.951	70	10	CJIE	
CCOCc1ccccc1N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218085789	CTAYLGKULFSQBJ-VDZJLULYSA-N	287.447	4.850	70	10	CJIE	
Cc1ccccc1C[C@@H](C)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218101183	IWLQPYVGDXQWOP-HGKSCXNLSA-N	285.475	4.730	70	10	CJIE	
CCCCCC[C@@H](C)O[C@@H](c1ccc(F)cc1)[C@@H](N)CC	218257987	VZYOQLYZGDNFIQ-JLSDUUJJSA-N	295.442	4.980	70	10	CJIE	
CC(C)(C)/C=C/NC(=O)Nc1ccc(Cl)c(Cl)c1	218540271	JVBPFUJOGVQVRG-VOTSOKGWSA-N	287.190	4.675	70	10	CJIE	
CCCN[C@H]1CC[C@H](C(C)(C)C)C[C@@H]1N(C)[C@@H](C)CCC	218642158	GGEGFHAQVWZUGL-XSLAGTTESA-N	296.543	4.690	70	10	CJIE	
CCN[C@H]1CC[C@H](C(C)(C)CC)C[C@@H]1Oc1ccccc1	218776020	IVIIVGUOIGUTJB-SZMVWBNQSA-N	289.463	4.648	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@H]1c1cccc(OCc2ccccc2)c1	1882184334	JYNWOKHLEFUZCD-HOTGVXAUSA-N	291.101	4.971	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCCN(C[C@H]2C[C@H]2C2CCCCC2)C1	2135678825	XERYIBHCOFTFKK-KFWWJZLASA-N	288.186	4.516	70	10	CJIE	
F[B-](F)(F)C1CCN(CC2C[C@H]3CCC[C@H](C2)C3)CC1	2231065175	CLVFGWVQJHJYKI-STQMWFEESA-N	288.186	4.516	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](O)CC[C@H]1CCCCO1	160985661	IYIGKYJQASWWRU-AEFFLSMTSA-N	284.399	4.531	70	10	CJIE	
Cc1ccccc1C[C@@H](O)c1c(C)ccc2ccccc12	160996759	AXCGHYKXNMUEJY-LJQANCHMSA-N	276.379	4.733	70	10	CJIE	
CCO[C@]1(C(=O)c2ccc(C(C)C)cc2)CCC[C@@H](C)C1	161225118	RANMOUZELSCZST-DNVCBOLYSA-N	288.431	4.978	70	10	CJIE	
CCc1cccc2c(C(C)C)c(CNC(C)C)oc12	161424758	YMWPNQAQKGNFPE-UHFFFAOYSA-N	259.393	4.617	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc([C@H](O)c3ccco3)ccc21	161496819	POKDQCGEYQVRNX-KRWDZBQOSA-N	284.399	4.710	70	10	CJIE	
C[C@@H]1CCC[C@@H]([C@@H](O)c2cccc3ccccc23)C1	217911175	PIKUBOFGNSUQBR-DDUZABMNSA-N	254.373	4.700	70	10	CJIE	
CCN[C@H]1C[C@@H](C)CCc2ccc([C@@H](C)CC)cc21	217951552	NFPLFTFFLMGIHP-DEYYWGMASA-N	259.437	4.823	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl	1885275923	YLLNHHDXNAHLEJ-JGVFFNPUSA-N	253.867	4.698	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)c1ccc(F)c(F)c1	160813687	KDCVITMZOPAKRR-UHFFFAOYSA-N	282.289	4.657	70	10	CJIE	
CCN[C@H](c1ccc(C(C)(C)C)cc1)[C@H]1CCCS1	161073977	YLLGWWYWDRKHIA-HZPDHXFCSA-N	277.477	4.530	70	10	CJIE	
CCCN[C@@H](C1CCCCC1)[C@@H]1CCC[C@@H](C)C1	218037849	NUZIGOHNWUZECE-OIISXLGYSA-N	251.458	4.761	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1N[C@@H](C)[C@@H]1C[C@H]2C=C[C@H]1C2	218157869	PDAHOAAWOBCCGD-KYQPOWKGSA-N	275.480	4.638	70	10	CJIE	
CC1(C)CCC(CN2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)CC1	1879767796	OBSPHHXXYCPPGQ-UKRRQHHQSA-N	288.186	4.516	70	10	CJIE	
CCCCCCCCN1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2073770871	APZNPDMLMHJLNQ-UONOGXRCSA-N	276.175	4.660	70	10	CJIE	
Cc1c(Br)sc([C@@H]2C[C@@H]2[B-](F)(F)F)c1C	2241394410	YVGRTYLEVNBUSC-RQJHMYQMSA-N	297.956	4.832	70	10	CJIE	
CCSCC[C@H](C)N[C@@H](c1ccc(C)cc1)C1CC1	160038336	CHOACOHSIDVYOF-YOEHRIQHSA-N	277.477	4.567	70	10	CJIE	
CCSCC[C@@H](C)N[C@H](C)c1cc(C)c(C)cc1C	160050482	MLGMOCGNXDWDFS-HZPDHXFCSA-N	279.493	4.794	70	10	CJIE	
CC[C@H](C)C[C@@H](CC)N[C@H](C)c1ccc(OC)cc1	160088455	PAVACWHXCDENPJ-SQWLQELKSA-N	263.425	4.561	70	10	CJIE	
C[C@H](Nc1cccc(N(C)C)c1)c1ccc(F)cc1Cl	161093443	PVCNMWDNICEHHX-NSHDSACASA-N	292.785	4.718	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)Cc1cccc2ccccc12	161277379	QPJGNVOXAKCRDQ-IBGZPJMESA-N	279.427	4.861	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1Cc1ccccc1C	217756930	NMZWSAVBMZBDOF-OKZBNKHCSA-N	273.464	4.588	70	10	CJIE	
O[C@]1(c2cccc(Cl)c2Cl)C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217872660	MXICCJIUFBUXDA-CTSUJBPDSA-N	297.225	4.637	70	10	CJIE	
CN[C@@H](c1ccc(C(C)C)cc1)[C@@H]1CCC[C@@H](C)C1	217959589	DKCGDLGQBDEZBP-OLMNPRSZSA-N	259.437	4.897	70	10	CJIE	
CC(C)=C(CN(C)[C@@H](C)C1CCCCC1)[B-](F)(F)F	2317846437	XQSDLANHPPTYPD-LBPRGKRZSA-N	276.175	4.610	70	10	CJIE	
CCCN[C@@H](C1=CCCCO1)C1CCC(C(C)(C)C)CC1	160045511	GQMZJEWGBRFGKP-LEOMRAHMSA-N	293.495	4.901	70	10	CJIE	
FC(F)c1ccc([C@@H]2CCNC[C@H]2C2CCCC2)cc1	160128503	BHODGRLRVAGEOQ-HOTGVXAUSA-N	279.374	4.508	70	10	CJIE	
C[C@@H]1CCC[C@@H](CCNCc2ccc(Cl)cc2F)C1	160828539	XYMNFZRPOAKANK-OLZOCXBDSA-N	283.818	4.785	70	10	CJIE	
CCCN[C@H](c1cncc(C)c1)C1CCCCCCC1	161017345	KDAKFRWOQVFVKL-SFHVURJKSA-N	274.452	4.791	70	10	CJIE	
CC[C@@H](C)c1cccc2c(CC(C)C)c(CNC)oc12	161378513	TVYLERXVZSFPLP-CYBMUJFWSA-N	273.420	4.864	70	10	CJIE	
CCCNCc1oc2c([C@@H](C)CC)cccc2c1COC	161380453	KCQMSUPMSXDFJP-ZDUSSCGKSA-N	289.419	4.592	70	10	CJIE	
Cc1cc(C)c(-c2nc(Br)c(C)s2)c(C)c1	217256071	OXJSUXUZAKEXJN-UHFFFAOYSA-N	296.233	4.806	70	10	CJIE	
CCCCCC[C@@H](C)O[C@@H](C)[C@@H](O)c1ccc(C)cc1	218552289	MIOAERMLLFPUOK-SOLBZPMBSA-N	278.436	4.792	70	10	CJIE	
CC(C)=C(COC[C@H]1CC[C@@H]1C(C)(C)C)[B-](F)(F)F	2320145985	FRNUCPIQLLMYND-NEPJUHHUSA-N	277.159	4.798	70	10	CJIE	
F[B-](F)(F)C1CCN(C[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2338920712	KVYOCVKEXGVTQD-MELADBBJSA-N	288.186	4.516	70	10	CJIE	
CC1(C)C([C@H](O)c2cc3cc(Cl)ccc3o2)C1(C)C	159370081	ZFUKHXQWOCITJQ-CYBMUJFWSA-N	278.779	4.802	70	10	CJIE	
CCN[C@H](Cc1ccc(F)cc1Cl)C1(C)CCCC1	160628989	YHSMBHYCWGRHKI-OAHLLOKOSA-N	283.818	4.580	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](N)c1cccc(Cl)c1	160866455	AKPWVUHQRWGYHF-GOSISDBHSA-N	281.786	4.850	70	10	CJIE	
CCCNCc1oc2c(OCCC)cccc2c1CCC	161401578	MOHWBZMCLRAOBA-UHFFFAOYSA-N	289.419	4.674	70	10	CJIE	
CCCc1c(CNC2CC2)oc2c(C)ccc(Cl)c12	161494425	OVADVSZPKHXNRT-UHFFFAOYSA-N	277.795	4.599	70	10	CJIE	
CC[C@H](C)c1ccccc1NC(=O)Nc1ccc(F)cc1	217268769	SMTWPHUYKFBUJZ-LBPRGKRZSA-N	286.350	4.983	70	10	CJIE	
CC(C)(C)c1ccc(NC(=O)Nc2cccs2)cc1	217305847	AFXOLTXNFFELAF-UHFFFAOYSA-N	274.389	4.690	70	10	CJIE	
CCN[C@H](Cc1ccc(F)cc1Cl)[C@H]1CCC[C@@H](C)C1	217986617	JBJRYRVXKODTLZ-HACGYAERSA-N	297.845	4.826	70	10	CJIE	
C[C@H](F)c1cc2ccc(Br)cc2s1	218331604	ADKNBGXOGZBGHY-LURJTMIESA-N	259.143	4.694	70	10	CJIE	
CCNc1cc(Oc2cc(C)ccc2C(C)C)ccn1	159371447	KPHLHKBGRSLGGW-UHFFFAOYSA-N	270.376	4.738	70	10	CJIE	
Cc1ccc([C@H](O)Cc2ccc(Cl)cc2F)cc1Cl	160405730	DDSKKMSRWYMYLT-OAHLLOKOSA-N	299.172	4.717	70	10	CJIE	
Cc1ccc2ccccc2c1CCCCCNC(C)C	161115017	XZWSTIMEOYNIGJ-UHFFFAOYSA-N	269.432	4.859	70	10	CJIE	
Cc1cc(C)c2oc(CNC(C)C)c(CC(C)C)c2c1	161388358	CETAAQPZRPTRFU-UHFFFAOYSA-N	273.420	4.746	70	10	CJIE	
C1=C[C@@H]2[C@@H](C1)C[C@H]2Nc1ccccc1Oc1ccccc1	217810161	XHLXGHNCOYXESR-YXJHDRRASA-N	277.367	4.855	70	10	CJIE	
CCN[C@H](c1ccc(C)c(C)c1)[C@@H]1CCC[C@@H](C)C1	217993461	MNVXYXXEGVAUKG-QBIMZIAESA-N	259.437	4.780	70	10	CJIE	
Cc1nc(C)c([C@@H](C)N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)s1	218483188	CQJLBSIARKUENT-LRCAOYNASA-N	292.492	4.625	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@H]1c1ccc(Cl)cc1Br	1885274476	MAGRCBOBHWAUME-YUMQZZPRSA-N	298.318	4.807	70	10	CJIE	
CC(C)CNC[C@@H]1CCCC[C@@H]1[C@@H]1C[C@@H]1c1ccccc1	159667340	LINBCGXIMANYNH-HAGHYFMRSA-N	285.475	4.842	70	10	CJIE	
O[C@H](c1cccc(C2CCC2)c1)[C@@H]1C[C@H]1c1ccccc1	160176369	GYKVQCJMHNNFEL-XUVXKRRUSA-N	278.395	4.791	70	10	CJIE	
CCCCCC[C@H](O)c1ccc(Cl)c2cccnc12	160426213	UBFDGQOBIWUDTR-HNNXBMFYSA-N	277.795	4.892	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](Nc1cccc3c1CCCC3)CC2	160754348	IEXVOTJPVKLNLB-FQEVSTJZSA-N	277.411	4.973	70	10	CJIE	
CCN[C@@H](Cc1ccc(Cl)s1)c1cccc(C)c1C	160843870	KNMOMWKXGJIVRF-HNNXBMFYSA-N	293.863	4.912	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](N)C1(C)CCCC1	160869441	XEUFTUOEPSGCDX-QGZVFWFLSA-N	253.389	4.728	70	10	CJIE	
Cc1cc(Cl)cc2c(C3CC3)c(CNC3CC3)oc12	161179654	BYKZGAFBDCSBDW-UHFFFAOYSA-N	275.779	4.524	70	10	CJIE	
CCN[C@H](c1cc(C)c(C)cc1C)[C@H]1CCCCS1	161337679	XWGKWOOXWUQMMR-IAGOWNOFSA-N	277.477	4.548	70	10	CJIE	
CC[C@@H](C)c1ccccc1NC(=O)NCC1CCCCC1	217606721	WPKBYZAIDAWLNK-CQSZACIVSA-N	288.435	4.902	70	10	CJIE	
Cc1sc(/C=C/[B-](F)(F)F)c(C)c1Br	2209178395	YVPYWCIBVKRPGM-ONEGZZNKSA-N	283.929	4.527	70	10	CJIE	
CC(C)=C(CN(C)C[C@H]1CCCC2(CC2)C1)[B-](F)(F)F	2340144287	MHLWKRHHDXKAQZ-ZDUSSCGKSA-N	288.186	4.612	70	10	CJIE	
ClC/C=C\c1cccc(OCc2ccccc2)c1	145853346	PTBVRJFWGAYJDX-UITAMQMPSA-N	258.748	4.518	70	10	CJIE	
CCCCC[C@H](NC)[C@@H](c1ccccc1)[C@@H](C)CC	159706703	GSCSOEZFOPWYSD-RYQLBKOJSA-N	261.453	4.985	70	10	CJIE	
CCSCC[C@H](C)N[C@@H]1c2ccccc2CCC1(C)C	159944193	FGSCLUHADIIRND-WMLDXEAASA-N	291.504	4.821	70	10	CJIE	
CCN[C@H]1CC[C@@H](CC)C[C@@H]1Cc1cc(C)ccc1C	217663278	PJMNSCZRRYBJIN-QRQLOZEOSA-N	273.464	4.650	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N[C@@H](C)c1ccc(O)cc1	217882931	XWHQBLAUHJGKQH-NONVJHHQSA-N	275.436	4.504	70	10	CJIE	
CCCC(CCC)C(=O)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	217933373	OJLJSIUQNNHIBI-IIDMSEBBSA-N	280.452	4.961	70	10	CJIE	
CCCN[C@H](C1=CCCCCC1)c1ccc(CC)o1	217973940	VOWKIEDPGKXLPJ-QGZVFWFLSA-N	261.409	4.773	70	10	CJIE	
CCN[C@@H](c1ccc(C)cc1C)[C@@H]1CCC[C@@H](C)C1	217976628	QJFJEALLJBTPQW-MZMPZRCHSA-N	259.437	4.780	70	10	CJIE	
CCCN[C@H](c1ccc(OC)c(F)c1)[C@H]1CCC[C@@H](C)C1	218026546	QGNYDDQTNNVXHX-GLJUWKHASA-N	293.426	4.701	70	10	CJIE	
C[C@@H]1C[C@H](NCC[C@H](C)c2ccccc2)CC(C)(C)C1	218202914	CGRGUUAYRGPQRX-RYRKJORJSA-N	273.464	4.985	70	10	CJIE	
CCCCCN(C)[C@H](C)[C@@H](NCCC)c1ccc(C)cc1	218631401	CXQVWIQYSYBSKH-IEBWSBKVSA-N	290.495	4.546	70	10	CJIE	
CC(C)=C(CN(Cc1ccccc1)CC1CC1)[B-](F)(F)F	1889161389	JBFLDCAYCIDKTQ-UHFFFAOYSA-N	296.165	4.622	70	10	CJIE	
CC(C)=C(CSc1cccc(C)c1)[B-](F)(F)F	1901699561	IQYJXXOMASWQNE-UHFFFAOYSA-N	259.125	4.810	70	10	CJIE	
CC[C@@H](OCC(=C(C)C)[B-](F)(F)F)c1ccccc1	2317858991	ZVCILYJMDSMQLM-CQSZACIVSA-N	271.111	4.877	70	10	CJIE	
CN[C@@H](c1cc2ccc(F)cc2s1)c1cc(C)oc1C	161149341	BVZLAQUNLKCQHG-MRXNPFEDSA-N	289.375	4.559	70	10	CJIE	
CCCc1cccc([C@H](O)c2cc(F)cc(Cl)c2)c1	161230526	GUTKSAGAEHQZRS-INIZCTEOSA-N	278.754	4.513	70	10	CJIE	
CN[C@H]1CC[C@@H](C)C[C@@H]1Cc1ccc(C(C)(C)C)cc1	217632580	OBDCRIXDKROQSY-KYJSFNMBSA-N	273.464	4.551	70	10	CJIE	
CCN[C@H](c1cccc(C)c1C)[C@@H]1CCC[C@@H](C)C1	217994110	PPISTSSCKYWDLM-QBIMZIAESA-N	259.437	4.780	70	10	CJIE	
C[C@H]1CCC[C@H](C)N1N[C@H](C)CC(C)(C)c1ccccc1	218420357	ZJZXMNIOHHQKKB-IKGGRYGDSA-N	288.479	4.510	70	10	CJIE	
Cc1ccc([C@@H](CNC(C)C)O[C@H]2CCC[C@@H](C)C2)cc1	218762529	RXRUVEUFYIPKIK-NZSAHSFTSA-N	289.463	4.629	70	10	CJIE	
CCCCC[C@@H](NCC)c1ccccc1OC(F)F	159706558	JNJSMYHNXMGQHG-CYBMUJFWSA-N	271.351	4.519	70	10	CJIE	
CN[C@H](CC1CCCCC1)c1ccccc1C(F)(F)F	161009303	QDLDOGOYPGCECC-OAHLLOKOSA-N	285.353	4.936	70	10	CJIE	
CCCN[C@@H](CC[C@@H]1CCCCO1)CC1CCCCC1	161073569	IEUCBBJJWOCLHZ-ROUUACIJSA-N	281.484	4.674	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)[C@H]1CCOC2(CCCC2)C1	161325851	ZTEKDZIMJWEBHW-ROUUACIJSA-N	291.479	4.594	70	10	CJIE	
CC(C)c1ccc(C[C@H]2C[C@@H](C(C)C)CC[C@H]2N)cc1	217769421	FAZZNHQPBUZBHU-GBESFXJTSA-N	273.464	4.752	70	10	CJIE	
CN[C@H]1CC[C@@H](C(C)C)C[C@@H]1Cc1cccc(Cl)c1	217793009	HYGCQDAXFQUKGH-VYDXJSESSA-N	279.855	4.543	70	10	CJIE	
CCN[C@H](Cc1c(C)cc(C)cc1C)[C@@H]1CCC[C@@H](C)C1	218002794	FTIALSMUPQJJHH-LXGCGDOSSA-N	287.491	4.959	70	10	CJIE	
C/C(=C/C[Si](Cl)(Cl)Cl)c1ccccc1	224431916	SZZCRAADVGPXOE-CLFYSBASSA-N	265.643	4.745	70	10	CJIE	
CCC[C@@H](C)COc1ccc2ccccc2c1[B-](F)(F)F	379440698	FMXMNEOLRBZFMY-GFCCVEGCSA-N	295.133	4.709	70	10	CJIE	
CCC1CCC(COc2ccc([B-](F)(F)F)c(C)c2)CC1	2193128923	LWWCPUSRLROLHQ-UHFFFAOYSA-N	299.165	4.645	70	10	CJIE	
C=C(COCC[C@@H](C)CCCC(C)C)[B-](F)(F)F	2248814562	CFONRNYVAPQWDR-LBPRGKRZSA-N	265.148	4.798	70	10	CJIE	
CC(C)NCC1([C@@H]2C[C@@H]2c2ccccc2)CCCCC1	159409135	OXVFRIBNSNUFLL-QZTJIDSGSA-N	271.448	4.739	70	10	CJIE	
CCSCC[C@@H](C)N[C@@H](c1ccc(C)cc1)C1CC1	160038254	CHOACOHSIDVYOF-PBHICJAKSA-N	277.477	4.567	70	10	CJIE	
O[C@H](c1cc2ccccc2s1)[C@@H]1C[C@H]1c1ccccc1	160047577	KUDQWGISASUVKV-DAYGRLMNSA-N	280.392	4.738	70	10	CJIE	
CCCCOCCCN[C@@H](C)c1ccc(CCCC)cc1	160240014	ULFOBHRICZOZEU-KRWDZBQOSA-N	291.479	4.887	70	10	CJIE	
Cc1ccc(C)c([C@H]2CNc3cccc(Cl)c3O2)c1	160531306	IZMKEXXTSGCADV-OAHLLOKOSA-N	273.763	4.502	70	10	CJIE	
Cc1cncc([C@@H]2C[C@H](C(C)C)CC[C@@H]2CNC(C)C)c1	161038146	WAKLJPAJYUZGKA-ZHALLVOQSA-N	288.479	4.544	70	10	CJIE	
CCOC1(C(=O)CCc2cccs2)CCC(C)(C)CC1	161239561	IBXYVSXMLVXIKD-UHFFFAOYSA-N	294.460	4.625	70	10	CJIE	
CC[C@@H](C)C[C@H](Cc1ccc(C(C)(C)C)cc1)NC	161266497	ZLCJFZAPHVPFOI-RHSMWYFYSA-N	261.453	4.551	70	10	CJIE	
Cc1ccc([C@]2(O)C[C@H](C)CC[C@H]2C(C)C)c(C)c1	217864265	HPMSQVFVPMITAT-HFTRVMKXSA-N	260.421	4.583	70	10	CJIE	
C[C@H]1CCC[C@@H]([C@@H](N)c2cccc3ccccc23)C1	217944856	XGWDPAKLNPWNFC-JCKWVBRZSA-N	253.389	4.666	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](Cc2ccc(CC)cc2)C1	218755012	SSZXODLDLWDUFG-BHIYHBOVSA-N	273.464	4.583	70	10	CJIE	
CC(C)(C)NCc1sc(-c2ccsc2)nc1C1CC1	159635769	SONISVRHCSABKA-UHFFFAOYSA-N	292.473	4.637	70	10	CJIE	
CCSCC[C@@H](C)N[C@H](CC)c1ccc(CC)cc1	160065230	MJOFAZNLUKFXTP-RHSMWYFYSA-N	279.493	4.821	70	10	CJIE	
CC[C@H]1Nc2cccc(Cl)c2O[C@H]1c1ccccc1	160543968	HIVKHRYWKINMSK-HIFRSBDPSA-N	273.763	4.664	70	10	CJIE	
CO[C@]1(C(=O)Cc2ccc(C(C)C)cc2)CCC[C@H](C)C1	161070660	QWUKIPYPYMPXBX-HNAYVOBHSA-N	288.431	4.517	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)s1)C[C@H](C)C(C)(C)C	161103824	MMHVWKDBXOKNKT-KBPBESRZSA-N	281.509	4.903	70	10	CJIE	
C[C@H](N[C@H](c1ccc(F)cc1)C1CC1)[C@@H]1C[C@@H]2CC[C@@H]1C2	217839928	NIRFPBVQMMLOSL-ASVZHYIHSA-N	287.422	4.691	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCc1c(F)cccc1F	217865913	YVBZWOWGQNFBEK-IGCXYCKISA-N	281.390	4.515	70	10	CJIE	
C[C@H]1CCCC[C@@H]1CN[C@H](C)c1cccc(Cl)c1	218161386	HJAHCLUHSFTPHF-GZBFAFLISA-N	265.828	4.817	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](Cc2ccc(CC)s2)C1	218758587	BBURFKDYMPKBSQ-QLFBSQMISA-N	279.493	4.644	70	10	CJIE	
CC(C)[C@@H](C)COc1ccc2ccccc2c1[B-](F)(F)F	2189283272	WQWUMJHTEACPKP-LBPRGKRZSA-N	295.133	4.565	70	10	CJIE	
CC(C)=C(COCCCCCC1CC1)[B-](F)(F)F	2301868833	HGXMILYBFHWXEK-UHFFFAOYSA-N	263.132	4.696	70	10	CJIE	
CC1(C)CC[C@H](CCN2CC[C@](C)([B-](F)(F)F)C2)C1	2321608915	UIHJXDXSSVANHP-OCCSQVGLSA-N	276.175	4.516	70	10	CJIE	
CCC(C)(C)Oc1nc2ccccc2cc1CCl	20517608	CNPSRTLRKBDXKU-UHFFFAOYSA-N	263.768	4.541	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc(-c3ncccc3N)ccc21	161493430	CMUJCIODSCNAGJ-UHFFFAOYSA-N	280.415	4.680	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCc1ccc(O)c(Cl)c1	217521789	IOMZDYZCMRAORI-XPKDYRNWSA-N	295.854	4.596	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1cccc(CN(C)C)c1	218117014	OZKUOKOWHKVCAO-LZQZEXGQSA-N	288.479	4.621	70	10	CJIE	
Cc1cc(O[C@@H]2C[C@@H](C(C)C)CC[C@H]2O)ccc1C(C)C	218542391	YVHQILSTOBIMLI-KFKAGJAMSA-N	290.447	4.683	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@H](CN)[C@@H](Cc2cc(F)cc(F)c2)C1	218723869	OCDMWGSFBUYRMH-QLFBSQMISA-N	295.417	4.545	70	10	CJIE	
C=C(CCSc1cccc(Cl)c1)[B-](F)(F)F	1959652894	TVEWAFFTWSCRDK-UHFFFAOYSA-N	265.516	4.765	70	10	CJIE	
C=C(CCOc1ccc(C(C)C)cc1)[B-](F)(F)F	1999702388	NDOLGKSNXBTMHF-UHFFFAOYSA-N	257.084	4.522	70	10	CJIE	
CC(C)=C(CO[C@@H]1CC[C@H](C)[C@@H](C)C1)[B-](F)(F)F	2301864045	JTYXBINUGXPZIE-SDDRHHMPSA-N	263.132	4.551	70	10	CJIE	
CCCN[C@@H](C1=CCCO1)C1CCC(C(C)(C)C)CC1	160622641	GCDNSHWKJANOBD-VMBOVVBDSA-N	279.468	4.511	70	10	CJIE	
CCOC1(C(=O)c2ccc(Cl)cc2F)CCC(C)CC1	160976427	WLWALDOQSVDZHQ-UHFFFAOYSA-N	298.785	4.647	70	10	CJIE	
COc1cc(C)cc2c(C(C)C)c(CNCC(C)C)oc12	161089203	RLTFGYQCSYBDFH-UHFFFAOYSA-N	289.419	4.619	70	10	CJIE	
CNCc1oc2ccc(C(C)(C)C)cc2c1C(C)(C)C	161367097	IWVQBJDHNVXQAY-UHFFFAOYSA-N	273.420	4.747	70	10	CJIE	
CC[C@H](C)c1cccc2c(C(C)C)c(CNC)oc12	161379172	WDKFESFPKDRKBV-LBPRGKRZSA-N	259.393	4.789	70	10	CJIE	
CN[C@@H](c1ccc2c(c1)C(C)(C)CCC2(C)C)C1CC1	161488514	TXHSSWSRCNDBOS-QGZVFWFLSA-N	271.448	4.706	70	10	CJIE	
C[C@H]1CCCC[C@@H]1N[C@H](C)c1ccc(Cl)s1	216627440	PUJYRMJTPRMWSF-AXFHLTTASA-N	257.830	4.631	70	10	CJIE	
CC[C@H](C)[C@H](c1ccccc1)[C@@H](O)c1ccc(C)cc1	218123162	ZQOQFYOEGWKQAT-IPELMVKDSA-N	268.400	4.858	70	10	CJIE	
CCN[C@@H](Cc1ccc(F)cc1Cl)c1ccc(CC)o1	160575986	WJQAJSQXKXVYBM-HNNXBMFYSA-N	295.785	4.528	70	10	CJIE	
Cc1ccc(C)c([C@H](C)Nc2ccc(C)c(N(C)C)c2)c1	161220286	YNCXTEBAWFMELS-INIZCTEOSA-N	282.431	4.851	70	10	CJIE	
Cc1cc(Cl)c2oc(CNC(C)C)c(C3CC3)c2c1	161459719	ZATVFGTWCKWAAF-UHFFFAOYSA-N	277.795	4.770	70	10	CJIE	
CCCN[C@H]1CC[C@H](CCC)C[C@@H]1Cc1ccc(F)cc1	217738659	COCBFGAWEBQTHX-WDYCEAGBSA-N	291.454	4.953	70	10	CJIE	
Cc1ccccc1C(=O)CO[C@H]1C[C@@H](C)CC[C@H]1C(C)C	218396593	JQUPSWWCJREQTF-QOKNQOGYSA-N	288.431	4.655	70	10	CJIE	
CCCCCN(C(C)C)[C@@H](C(C)C)[C@@H](N)c1ccccc1	218689844	KEHBVVVUTWZEPW-OALUTQOASA-N	290.495	4.612	70	10	CJIE	
CCC[C@H]1CC[C@@H](CN)[C@@H](Cc2ccc(Cl)cc2)C1	218749063	DEYXXMVBLXLUJN-CWRNSKLLSA-N	279.855	4.674	70	10	CJIE	
CCN[C@@H]1CC[C@H](C(C)(C)CC)C[C@@H]1OCCC(C)C	218780595	GXPUIBCIQCUTQK-BBWFWOEESA-N	283.500	4.632	70	10	CJIE	
COc1cc(N[C@H](C)c2c(C)cc(C)cc2C)ccc1F	159993651	CSGJLZLOFWAJAC-CQSZACIVSA-N	287.378	4.933	70	10	CJIE	
CCOC1(C(=O)C2C[C@H](C)C[C@@H](C)C2)CCCCCC1	161341955	ARADJUJQOIBBOQ-HUUCEWRRSA-N	280.452	4.757	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)Cc1ccccc1F	161383804	KWTGLHFXHOKJGX-KRWDZBQOSA-N	275.411	4.627	70	10	CJIE	
CCC[C@H]1CC[C@H](NC)[C@@H](Cc2cccc(Cl)c2)C1	217709146	VCOKJYSAIAMKTC-LXZKKBNFSA-N	279.855	4.687	70	10	CJIE	
COc1ccc2cc([C@H]3C[C@H]3[B-](F)(F)F)ccc2c1	2059003697	PZIQKBSNZFYQIL-ZIAGYGMSSA-N	265.063	4.553	70	10	CJIE	
C=C(CN(CCCC)C1CCCCCC1)[B-](F)(F)F	2076549621	WHGSPGVXGSVRCF-UHFFFAOYSA-N	276.175	4.754	70	10	CJIE	
CC(C)=C(CN(C)[C@@H]1CCCC(C)(C)C1)[B-](F)(F)F	2317987569	ZJSGUJZROILEJG-GFCCVEGCSA-N	276.175	4.610	70	10	CJIE	
C[C@@H]1C[C@@H]1CCCCCN1CC[C@@](C)([B-](F)(F)F)C1	2319704214	FLXUFZLCLHYZLD-HZSPNIEDSA-N	276.175	4.516	70	10	CJIE	
CN[C@@H](Cc1ccc(F)cc1Cl)C[C@H](C)C(C)(C)C	160617311	WDZBVBRBRDULQL-SMDDNHRTSA-N	285.834	4.682	70	10	CJIE	
Cc1ccc([C@H](N)c2c(C)ccc3ccccc23)cc1F	160865624	KJLCHWQBFPUMAI-IBGZPJMESA-N	279.358	4.644	70	10	CJIE	
CCCNCc1oc2cc(C)c(C)cc2c1CCC	161249665	ZZJLUBMNBVILAQ-UHFFFAOYSA-N	259.393	4.502	70	10	CJIE	
CCCc1c(CNC)oc2c(C)cc(C(C)(C)C)cc12	161411251	DNCSIECSDYKAOQ-UHFFFAOYSA-N	273.420	4.711	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@H](O)[C@@H](CCCOc2ccccc2)C1	218306101	BMLLSJVWXDKDAF-JZXOWHBKSA-N	290.447	4.669	70	10	CJIE	
CC[C@H](O[C@H]1C[C@@H](C)CC(C)(C)C1)C(=O)c1ccccc1	218411745	RBVZFXVBNMWCSC-PVAVHDDUSA-N	288.431	4.879	70	10	CJIE	
CCC[C@@H]1CCC[C@H](NN2[C@@H](C)CCC[C@@H]2C)CC1	218455121	QSSIAIGXALQNHZ-NXOAAHMSSA-N	266.473	4.503	70	10	CJIE	
CCNC[C@@H]1CC[C@@H](CC)C[C@@H]1Cc1cc(F)cc(F)c1	218726433	FCGKXRMVABUUHU-VNQPRFMTSA-N	295.417	4.559	70	10	CJIE	
F[B-](F)(F)[C@H]1CCCN(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2225270492	XYMRZYCIZNIWCK-YJNKXOJESA-N	288.186	4.516	70	10	CJIE	
CC(C)=C(COc1ccccc1C(F)(F)F)[B-](F)(F)F	2340333035	BLBMUSHECIRWGE-UHFFFAOYSA-N	297.027	4.807	70	10	CJIE	
CNc1nc(-c2cccc(C)c2Cl)nc2cccc(C)c12	160476215	UHGMONPISBRQNJ-UHFFFAOYSA-N	297.789	4.609	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCCCCNC(C)(C)C	216879490	FGULFRJAMPOMHP-ZACQAIPSSA-N	283.500	4.632	70	10	CJIE	
Cc1ccc([C@@H](N[C@H]2CCC[C@@H](C)[C@H]2C)C2CC2)cc1	217888156	GSHOSERGZXWLPZ-VVWQDTPRSA-N	271.448	4.860	70	10	CJIE	
CCN[C@@H](c1ccc(F)c(C)c1)[C@@H]1CCC[C@@H](C)C1	217981094	KPDCVRRMBZUDDN-SUYBPPKGSA-N	263.400	4.611	70	10	CJIE	
F[B-](F)(F)C=Cc1ccc(Br)cc1Cl	1912097090	SUQMKNAKAJAOSL-UHFFFAOYSA-N	284.291	4.502	70	10	CJIE	
Cc1ccc(C)c(C(=O)c2cn(C)c3cc(Cl)ccc23)c1	159635913	KUFXXXHWBGNICN-UHFFFAOYSA-N	297.785	4.680	70	10	CJIE	
CCN[C@@H](CCc1ccc(OC)cc1)CC1CCCCC1	161053952	IUZZHVDPBHYJKB-SFHVURJKSA-N	289.463	4.576	70	10	CJIE	
Cc1ccc([C@@H](Nc2cccc(N(C)C)c2)C2CC2)cc1	161134921	ZKCRKQSRDVXELG-LJQANCHMSA-N	280.415	4.624	70	10	CJIE	
CCCN[C@H](c1ccc(C)c(C)c1)[C@H]1CCCCS1	161426675	FSWYUPILXPUNKP-IAGOWNOFSA-N	277.477	4.630	70	10	CJIE	
CC(C)Oc1ccccc1N[C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218100426	GITFRHREDDRROY-ORDFZIBCSA-N	285.431	4.710	70	10	CJIE	
CC[C@H]1CC[C@@H](CN)[C@@H](C[C@@H]2CSc3ccccc32)C1	218703303	AVZRPUICUKDQGV-CAOSSQGBSA-N	289.488	4.667	70	10	CJIE	
Cc1ccc([C@H]2C[C@@H]2[B-](F)(F)F)c(C)c1Br	1975304558	SWXYEBFTNFVONW-ZJUUUORDSA-N	291.927	4.771	70	10	CJIE	
C=C(CCOC[C@H](CC)CCCC)[B-](F)(F)F	1978067583	MOARWMFGXIOTMB-GFCCVEGCSA-N	251.121	4.552	70	10	CJIE	
Cc1ccccc1CC(=O)c1cn(C)c2cc(Cl)ccc12	159634923	SXPJLWVUXPSYFN-UHFFFAOYSA-N	297.785	4.566	70	10	CJIE	
CC[C@H]1CCCC[C@H]1C(=O)C1(OC)CCC(C)(C)CC1	161266754	LJZYJXUTJKGJBQ-LSDHHAIUSA-N	280.452	4.757	70	10	CJIE	
CC(C)c1cccc2c(C3CC3)c(CNC3CC3)oc12	161372199	JJARPSJAVNJOTD-UHFFFAOYSA-N	269.388	4.686	70	10	CJIE	
CCNCc1oc2c(Cl)ccc(C)c2c1CC(C)C	161415278	AKVDNIVFEUOFSK-UHFFFAOYSA-N	279.811	4.703	70	10	CJIE	
Cc1ccccc1C[C@@H](C)N[C@H]1C[C@@H](C)CC[C@@H]1C(C)C	218101888	VVZKQZQYVIKHNY-ZSXHRAQDSA-N	287.491	4.976	70	10	CJIE	
CC(C)(C)c1ccccc1NC(=O)NC=C1CCCCC1	218690064	CKBWODINVTYYCG-UHFFFAOYSA-N	286.419	4.954	70	10	CJIE	
CCOC1(C(=O)[C@H]2CCC[C@H](CC)C2)CCC(C)CC1	161001491	USTGZKVFAHDKDL-LPMVOBIJSA-N	280.452	4.757	70	10	CJIE	
Cc1cncc([C@@H]2CC(C)(C)CC[C@@H]2CNCC(C)C)c1	161042117	RDBKOXNLBLSPFI-SJLPKXTDSA-N	288.479	4.546	70	10	CJIE	
CCN[C@H](c1cc(C)cc(C)c1)[C@@H]1CCC[C@@H](C)C1	218005347	WXJYNWCWDBJIAO-QBIMZIAESA-N	259.437	4.780	70	10	CJIE	
Cc1cccc(N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1C	218078543	OIGWIPRGSBTZFR-QILLFSRXSA-N	257.421	4.930	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1N[C@@H](C)Cc1ccc(F)cc1	218204179	ZKBUBCAFRXFTBD-SAKMYQHLSA-N	291.454	4.807	70	10	CJIE	
O=C(N/C=C/C1CCCCC1)Nc1ccc(F)c(Cl)c1	218649175	XWWRCSPFHJISGN-CMDGGOBGSA-N	296.773	4.695	70	10	CJIE	
CC(C)=C(CN(C)[C@H]1CCCC2(CCC2)C1)[B-](F)(F)F	2340129537	LSBDGQHRJPQYIO-ZDUSSCGKSA-N	288.186	4.754	70	10	CJIE	
CC(C)=C(CN(C)CC[C@H]1CCCC12CC2)[B-](F)(F)F	2340315872	TURMMSOKBWZIRI-CYBMUJFWSA-N	288.186	4.612	70	10	CJIE	
Cc1c(C(=O)OC(C)(C)C)csc1-c1ccc(F)cc1	159503485	PFDZFIJWHJSDPJ-UHFFFAOYSA-N	292.375	4.818	70	10	CJIE	
CCCN[C@@H](C1=CCCCC1)C1C2CC3CC(C2)CC1C3	160144479	RMLAZTRPLZIUAX-VMALJAOGSA-N	287.491	4.927	70	10	CJIE	
CCN[C@H](Cc1ccc(C)cc1)c1cccc(C)c1Cl	160360235	QYQSURZXOQKADS-QGZVFWFLSA-N	287.834	4.850	70	10	CJIE	
CCN[C@H](Cc1ccc(F)cc1Cl)C1(CC)CCCC1	160580547	MSENWUJZOIMOHX-MRXNPFEDSA-N	297.845	4.970	70	10	CJIE	
Cc1ccc2ccccc2c1CCC(C)(C)CNC1CC1	161110711	XXACWSALNLZFEL-UHFFFAOYSA-N	281.443	4.859	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)s1)[C@H]1C[C@@H]1c1ccccc1	161235365	AKINGTXVCBILOV-CEXWTWQISA-N	299.483	4.635	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc(-c3ccncc3N)ccc21	161494362	KGXVIOGFSURYIZ-UHFFFAOYSA-N	280.415	4.680	70	10	CJIE	
CC[C@@H](C)c1ccccc1NC(=O)NCc1ccccc1C	217313824	RZHCVQHLDRQKTJ-CQSZACIVSA-N	296.414	4.830	70	10	CJIE	
CCC[C@@H]1CC[C@H](N)[C@@H](Cc2cccc(C(F)(F)F)c2)C1	217689906	LHXWHLKTCYUVOR-XPKDYRNWSA-N	299.380	4.792	70	10	CJIE	
CC(C)Cc1ccc([C@@H](C)N[C@H]2CCC[C@@H]2C)cc1	218210244	CIEKUOBXLTVRGS-DAYGRLMNSA-N	259.437	4.724	70	10	CJIE	
CC[C@@H]1CC[C@@H](CN)[C@@H](Cc2c(C)cc(C)cc2C)C1	218675756	WYSFNARRKJZZOW-FGTMMUONSA-N	273.464	4.556	70	10	CJIE	
CC(C)=C(COCCCC(C)(C)C)[B-](F)(F)F	1901645544	YGOFEYCQOFOAHL-UHFFFAOYSA-N	251.121	4.552	70	10	CJIE	
CC(C)=C(CN(C)[C@H](C)[C@]12CCCC[C@@H]1C2)[B-](F)(F)F	2340129054	FEXWZZDEHMQWQI-UMVBOHGHSA-N	288.186	4.610	70	10	CJIE	
CCNC[C@@H](Cc1csc2ccccc12)C1CCCC1	159932129	NGYCQPXBDYVENU-OAHLLOKOSA-N	287.472	4.860	70	10	CJIE	
CO[C@@]1(c2nc(C)c(C(C)C)c(Cl)n2)CCC[C@H](C)C1	160410411	ZKWUEMANKBCAPH-ZBEGNZNMSA-N	296.842	4.614	70	10	CJIE	
CCOC(CC)(CC)C(=O)Cc1ccc(C(C)(C)C)cc1	160666464	GIFGJSHPKVGIEG-UHFFFAOYSA-N	290.447	4.691	70	10	CJIE	
CCCN[C@@H](c1cc(C)c(C)cc1C)[C@H]1CCCS1	161116990	IDRQIVYGKGIHFK-SJORKVTESA-N	277.477	4.548	70	10	CJIE	
CCCN[C@@H](c1ccc(CCC)cc1)[C@H]1CCCS1	161140256	BHOXDANBGDGJCW-SJORKVTESA-N	277.477	4.575	70	10	CJIE	
COC1(C(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)CCC(C)(C)CC1	161290652	JXMHJEYCTMPPAZ-QLFBSQMISA-N	280.452	4.613	70	10	CJIE	
CCCOc1cccc2c(CCC)c(CNC(C)C)oc12	161401436	XEIZWJGPAOSAMV-UHFFFAOYSA-N	289.419	4.672	70	10	CJIE	
CCC[C@H]1CC[C@H](NC)[C@@H](Cc2ccc(F)cc2Cl)C1	217710169	NMWQLWPZYYWDRU-QEORTHHSSA-N	297.845	4.826	70	10	CJIE	
CCC[C@H]1CC[C@@H](CN)[C@@H](Cc2ccc(C)c(C)c2)C1	218730346	QHMCPJUBPXUHKZ-YTQUADARSA-N	273.464	4.637	70	10	CJIE	
CC(C)=C(CN(C)Cc1cc(Cl)cs1)[B-](F)(F)F	2301852111	HHNBUOKASAFITD-UHFFFAOYSA-N	296.574	4.556	70	10	CJIE	
CN[C@@H](c1cc(C)ccc1C)C1C2CC3CC(C2)CC1C3	160132469	WMJQTNVQSAHGSW-UMSBGXLASA-N	283.459	4.636	70	10	CJIE	
CCCn1ncc(Cl)c1[C@@H](NCC)C1CCCCCC1	160485198	JFUJROQRHYMXFG-HNNXBMFYSA-N	297.874	4.568	70	10	CJIE	
CCC1CCC([C@H](O)c2coc3ccccc23)CC1	160757610	AKVHZMRDKRPVIV-FVKWTLKZSA-N	258.361	4.683	70	10	CJIE	
C[C@H](N[C@H]1CCC[C@@H](C(C)(C)C)CC1)c1ccco1	160759576	FQUKAQWBDOEERS-ZNMIVQPWSA-N	263.425	4.925	70	10	CJIE	
CC(C)CC[C@@H](C)NCCO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	217889020	PGUYIOFKLJMJDA-WJFTUGDTSA-N	297.527	4.878	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	1885274459	LXTYCVOASHXPOQ-RNFRBKRXSA-N	253.867	4.698	70	10	CJIE	
C=C(CCOCCC(C(C)C)C(C)C)[B-](F)(F)F	2015341186	YGABLVROWSHPAP-UHFFFAOYSA-N	265.148	4.654	70	10	CJIE	
C=CCCCCCCCN1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2227285594	KGUHWLDYGXCWOG-CABCVRRESA-N	288.186	4.826	70	10	CJIE	
CC(C)=C(COC1C[C@H](C)C[C@@H](C)C1)[B-](F)(F)F	2301963988	GWXAQQWVBSWGBJ-GHMZBOCLSA-N	263.132	4.551	70	10	CJIE	
CC(C)=C(COC(CC1CC1)CC1CC1)[B-](F)(F)F	2317850169	WCWMOSZAGDRGCD-UHFFFAOYSA-N	275.143	4.695	70	10	CJIE	
CCc1cccc(C)c1NCc1cccc2c1NCCC2	159378350	QEIRFYDUJAZNOA-UHFFFAOYSA-N	280.415	4.528	70	10	CJIE	
CCCCC1CCC([C@H](NCC)C2=CCCCO2)CC1	160380663	PRWJDQWJZLUVNU-HTWSVDAQSA-N	279.468	4.655	70	10	CJIE	
CN[C@@H](C)c1ccc(Oc2ccc(F)cc2C)cc1Cl	160586215	XQMJVRVJPIUFSO-NSHDSACASA-N	293.769	4.860	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](N)c1cccc(Cl)c1	160866582	AKPWVUHQRWGYHF-SFHVURJKSA-N	281.786	4.850	70	10	CJIE	
CC[C@H](C)C[C@@H](O)c1ccc(Br)cc1Cl	161051685	MSBPAUHSWFPDAX-QPUJVOFHSA-N	291.616	4.572	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc([C@H](N)c3ccco3)ccc21	161484976	NQGLYKJDPKXLAI-KRWDZBQOSA-N	283.415	4.677	70	10	CJIE	
CCCCC1CCC([C@H](NN)[C@@H]2CCC[C@@H](C)C2)CC1	217320168	DAMYZBGGJZWSJC-BNGPMPHDSA-N	280.500	4.641	70	10	CJIE	
CCCc1nc(Cl)c(C)c(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)n1	217560715	FCKYOOGXWSBYKT-NTZNESFSSA-N	295.858	4.628	70	10	CJIE	
C[C@H]1CCCC[C@@H]1N[C@H](C)CC(C)(C)c1ccccc1	217861582	SMBQXSCUHLQGMH-JZXOWHBKSA-N	273.464	4.911	70	10	CJIE	
CC[C@@H](C)[C@@H](C)N[C@H](c1ccccc1)c1cccs1	217965353	LIZDEYQCQNEYCB-CKEIUWERSA-N	273.445	4.862	70	10	CJIE	
CCN[C@H](c1cc(F)ccc1C)[C@@H]1CCC[C@@H](C)C1	217980057	RVQVFCRWVWKWPL-MRRJBJDNSA-N	263.400	4.611	70	10	CJIE	
CC[C@H](C)[C@@H](c1ccccc1)[C@@H](O)c1cc(F)ccc1F	218125757	MYHPEYVHXWBSGN-IGNZVWTISA-N	290.353	4.828	70	10	CJIE	
O[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1CC1CCCC1	218309156	HOUQSTONICEYJN-OKZBNKHCSA-N	258.405	4.512	70	10	CJIE	
CN[C@@H]1CCCCCCCCCC[C@H]1N1CCCC1(C)C	218733132	QCSCYPIFHXCARU-QZTJIDSGSA-N	294.527	4.732	70	10	CJIE	
CCNC[C@H](Cc1cccc2ccccc12)C1CCCC1	159931976	JHNCTIUSPLHTNG-IBGZPJMESA-N	281.443	4.798	70	10	CJIE	
CC(C)CC1([C@@H](N)Cc2ccc(F)cc2Cl)CCCC1	160556790	OUGNFNKDDMWRMT-INIZCTEOSA-N	297.845	4.955	70	10	CJIE	
Cc1ccc(C)c([C@H](O)c2cc3ccc(F)cc3s2)c1	161218810	LCSAANPBSGDSSM-KRWDZBQOSA-N	286.371	4.739	70	10	CJIE	
COC1(C(=O)c2cccc3ccsc23)CCCCCC1	161301598	ULXFLOVYNIYMGR-UHFFFAOYSA-N	288.412	4.823	70	10	CJIE	
COC1(C(=O)c2cccc3ccccc23)CCCCCC1	161333435	WDYXLTPLDRVYRQ-UHFFFAOYSA-N	282.383	4.762	70	10	CJIE	
CCN[C@@H]1CC[C@@H](CC)C[C@@H]1CCCc1ccccc1	217666763	NZCRBINOVJBQFU-NZSAHSFTSA-N	273.464	4.814	70	10	CJIE	
CCCN[C@H]1CC[C@@H](CCC)C[C@@H]1Cc1ccccc1	217734779	KALKURVJBQHPLH-QRQLOZEOSA-N	273.464	4.814	70	10	CJIE	
CN[C@H]1CC[C@H](C(C)C)C[C@@H]1Cc1cccc(Cl)c1	217792826	HYGCQDAXFQUKGH-ZOBUZTSGSA-N	279.855	4.543	70	10	CJIE	
N[C@]1(c2cccc(Cl)c2Cl)C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217895114	GIIGUNSTOBXKBO-QIJJUMSOSA-N	296.241	4.604	70	10	CJIE	
CCCCCC[C@H](C)O[C@H](c1cccc(F)c1)[C@@H](N)CC	218256948	IOAHMEFWPIXXBH-JCGIZDLHSA-N	295.442	4.980	70	10	CJIE	
CC[C@H]1CC[C@H](O)[C@H](Oc2ccccc2[C@H](C)CC)C1	218547408	AYHCHXONRUOWRC-YQYZPQCESA-N	276.420	4.519	70	10	CJIE	
C=C(CCOc1ccc(C(C)C)c(C)c1)[B-](F)(F)F	2044980085	PVYDFJOEGCXOBK-UHFFFAOYSA-N	271.111	4.830	70	10	CJIE	
C=C(CCN(C)C1CC2(CCCCCC2)C1)[B-](F)(F)F	2108669093	KNDFZFOSCCPUOG-UHFFFAOYSA-N	288.186	4.754	70	10	CJIE	
CC[C@H]1CC[C@H](c2nc(C3CC3)c(CNC(C)C)s2)C1	159542147	AOGJTMOAKLYSBE-JSGCOSHPSA-N	292.492	4.812	70	10	CJIE	
O=C(NC1CCCC1)N(C1CCCCC1)C1CCCCC1	160306152	FEOACYDLJUNGFV-UHFFFAOYSA-N	292.467	4.606	70	10	CJIE	
CCCC[C@H](CC)[C@H](Cc1ccc(F)cc1Cl)NC	160564139	WXCDKGOKJLZBCL-LRDDRELGSA-N	285.834	4.826	70	10	CJIE	
N[C@@H](CC1=CCCCC1)c1cccc(C(F)(F)F)c1	161219484	FUMOPZSFJXJWGP-AWEZNQCLSA-N	269.310	4.596	70	10	CJIE	
Cc1cc2oc(CNC3CC3)c(CC(C)C)c2cc1C	161247489	GEUMNCBXMURGLI-UHFFFAOYSA-N	271.404	4.500	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@H]1N[C@H](C)Cc1ccc(F)cc1	218204120	ZKBUBCAFRXFTBD-OSGQAZFXSA-N	291.454	4.807	70	10	CJIE	
CCC[C@H]1CC[C@H](CN)[C@@H](CC2CCCCC2)C1	218754102	RSBIMFUGOAORFU-USXIJHARSA-N	251.458	4.748	70	10	CJIE	
Cc1c(Cl)cc(/C=C\[B-](F)(F)F)cc1Cl	382630420	ADYCZXXYPWFITB-IHWYPQMZSA-N	253.867	4.702	70	10	CJIE	
Fc1ccc(Cl)c(/C=C\[B-](F)(F)F)c1Cl	382635318	NFQWXNBBZAVHFE-ARJAWSKDSA-N	257.830	4.532	70	10	CJIE	
CCC1CCC(OCc2cccc([B-](F)(F)F)c2C)CC1	2283572218	BZSVGSHYUCAPOQ-UHFFFAOYSA-N	299.165	4.535	70	10	CJIE	
CCCNC[C@H](Cc1ccc(C)c(C)c1)C1CCCC1	159948937	PUODKNNTNOVVQJ-IBGZPJMESA-N	273.464	4.652	70	10	CJIE	
C[C@H]1CCC[C@@H](CCNCc2cc(F)cc(Cl)c2)C1	160942196	FJJNYELSNLVCTJ-STQMWFEESA-N	283.818	4.785	70	10	CJIE	
CCCOc1ccccc1[C@H](CC1=CCCCC1)NC	161276381	NCGRNRRORSYGQM-KRWDZBQOSA-N	273.420	4.626	70	10	CJIE	
C1=C[C@@H]2[C@H](C1)C[C@H]2Nc1ccc2oc3ccccc3c2c1	217942301	NBTKNMBXOQIZBC-SUYBPPKGSA-N	275.351	4.963	70	10	CJIE	
Cc1cc2[nH]c(C(C)C)c(C)c2cc1Br	218576309	ZPRNIDPMCWTCOJ-UHFFFAOYSA-N	266.182	4.671	70	10	CJIE	
CCN[C@@H]1CCCCCCCCCC[C@H]1N(C)[C@@H](C)CC	218625749	XTTCKIKPXZRYEI-IPMKNSEASA-N	296.543	4.978	70	10	CJIE	
C=C(CCOCc1ccc(F)c(C)c1Cl)[B-](F)(F)F	2317214895	SQAOLNAPLNXYKM-UHFFFAOYSA-N	295.492	4.637	70	10	CJIE	
CNC[C@H](Cc1ccccc1Cl)[C@H]1C[C@@H]1c1ccccc1	159399635	KMLVFAMYITXOKM-RCCFBDPRSA-N	299.845	4.522	70	10	CJIE	
CCC[C@H](Nc1cccc(N(C)C)c1)c1ccccc1	161111143	RTILKEFBVGSJML-SFHVURJKSA-N	268.404	4.706	70	10	CJIE	
CN[C@H](c1cc2ccc(F)cc2s1)c1cc(C)oc1C	161149193	BVZLAQUNLKCQHG-INIZCTEOSA-N	289.375	4.559	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)C)C[C@@H]1Cc1cccc(Cl)c1	217792898	HYGCQDAXFQUKGH-HLLBOEOZSA-N	279.855	4.543	70	10	CJIE	
CC1(C)CCC(CN2CCC[C@H]([B-](F)(F)F)C2)CC1	2070265079	UWRZRNAZPWYNRY-ZDUSSCGKSA-N	276.175	4.516	70	10	CJIE	
C=CCC[C@H](C)Oc1ccc2cc([B-](F)(F)F)ccc2c1	2158323641	KJTWUOLVMGPUSS-LBPRGKRZSA-N	293.117	4.628	70	10	CJIE	
CCSCC[C@H](C)N[C@H]1c2ccccc2CCC1(C)C	159944446	FGSCLUHADIIRND-YOEHRIQHSA-N	291.504	4.821	70	10	CJIE	
CCCN[C@H](C[C@@H](C)CC(C)(C)C)C1=CCCCO1	160387740	ASNACRWARZJTAP-HUUCEWRRSA-N	267.457	4.511	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)Cc1ccccc1F	160825609	VKSDAWAWWKFMOU-UHFFFAOYSA-N	278.326	4.713	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)c1cccc(C(F)(F)F)c1	161289820	IHGQRLAEEYALRB-HNNXBMFYSA-N	283.337	4.856	70	10	CJIE	
CCN[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1C[C@@H](C)CC	217768723	DOFKISYUHIMFEA-DSLXNQLJSA-N	273.464	4.985	70	10	CJIE	
CCCOc1ccc(N[C@@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1	218184648	LPADGFKAGZJOFJ-WHJMJZORSA-N	285.431	4.712	70	10	CJIE	
C[C@@H](CCNCc1ccc([C@@H]2C[C@@H]2C)o1)c1ccccc1	218202632	OIZVMSXOIHYJJD-RLFYNMQTSA-N	283.415	4.686	70	10	CJIE	
CC[C@@H](N)[C@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccsc1	218264313	AEZHGPQEMQCJJO-DTZQCDIJSA-N	295.492	4.758	70	10	CJIE	
CCNC[C@@H](O[C@H]1CCCC[C@@H]1CC)c1cccc(C)c1	218746371	ACNIGGBUPQFVHR-YTQUADARSA-N	289.463	4.631	70	10	CJIE	
Cc1ccc([C@@H](C)N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1	159902823	LWRFISHVAYRIGS-BFYDXBDKSA-N	259.437	4.860	70	10	CJIE	
CCSCC[C@H](C)NC1CCC(c2ccccc2)CC1	160011827	SALMOKRELZEOMF-ZLPCBKJTSA-N	291.504	4.834	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1cnc2ccccc2c1	161311834	GHGLZSFEOQDBJF-IBGZPJMESA-N	280.415	4.776	70	10	CJIE	
CCN(C(=O)N/C=C/c1ccc(C)cc1)c1cccc(C)c1	218129609	BBOARNKDNWBYKY-OUKQBFOZSA-N	294.398	4.510	70	10	CJIE	
COc1ccc(Cl)c(N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1	218166647	WSJCRWXTRPZCIJ-XNJJOIOASA-N	293.838	4.975	70	10	CJIE	
CC[C@@H]1CC[C@H](CN)[C@@H](Cc2ccc(C(F)(F)F)cc2)C1	218648058	QARCEHDKPVBLOZ-BPLDGKMQSA-N	299.380	4.649	70	10	CJIE	
CCCN[C@H]1CC[C@H](CCC)C[C@@H]1N(C)[C@@H](C)C(C)(C)C	218704779	QJEMLAXSBAGGSG-XSLAGTTESA-N	296.543	4.690	70	10	CJIE	
COc1ccc2ccccc2c1[C@H]1C[C@@H]1[B-](F)(F)F	2059003460	OGZOSTDRCGTKME-RYUDHWBXSA-N	265.063	4.553	70	10	CJIE	
CC(C)=C(CO[C@@H]1CCC[C@H](C)[C@@H]1C)[B-](F)(F)F	2301867850	VYLHSNPGCNIZLU-GMXVVIOVSA-N	263.132	4.551	70	10	CJIE	
Cc1ccc(Cl)cc1[C@@H](O)c1cc2cc(F)ccc2o1	159420438	DMCQZQOIVKZZIM-MRXNPFEDSA-N	290.721	4.615	70	10	CJIE	
c1ccc(CCC[C@@H](CNC2CC2)C2CCCC2)cc1	159984257	DLZXUBKSTYHFBV-SFHVURJKSA-N	271.448	4.568	70	10	CJIE	
CC[C@H](NC1=NCC2(CCCC2)CS1)C1CCCCC1	160235691	URMAGFRRLPSCDU-HNNXBMFYSA-N	294.508	4.598	70	10	CJIE	
CCN[C@H](c1ccc2c(c1)CCC2)c1cccc(C)c1Cl	160298843	VWKFAPZZCWPLPQ-LJQANCHMSA-N	299.845	4.836	70	10	CJIE	
CCN[C@@H](Cc1ccc(C)cc1)c1cccc(C)c1Cl	160360113	QYQSURZXOQKADS-KRWDZBQOSA-N	287.834	4.850	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](N[C@@H](C)Cc1cccc(Cl)c1)CC2	160785941	MKGDZUHBXVGNFH-LIRRHRJNSA-N	299.845	4.857	70	10	CJIE	
CC(C)(C)c1ccc(C[C@H](N)c2ccc(Cl)s2)cc1	161259475	CCHKISBTTNEWOA-ZDUSSCGKSA-N	293.863	4.942	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)Cc1ccccc1Cl	161331487	WATLIMBWJQPJLS-INIZCTEOSA-N	277.839	4.751	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)Cc1ccc(F)cc1	161391999	PYWHNAYPTKJOAO-SFHVURJKSA-N	275.411	4.627	70	10	CJIE	
CN[C@H]1CCCCCCCCCC[C@@H]1N(C)[C@@H](C)C(C)C	218638475	RADFICIOXRBZPJ-FHWLQOOXSA-N	296.543	4.834	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](CN)[C@@H](c2ccc3ccccc3c2)C1	218766764	BPAJNDHXOJVEPL-NSISKUIASA-N	281.443	4.954	70	10	CJIE	
C[C@@H]1CCCC[C@H]1Oc1nc2ccccc2cc1CCl	20469274	QEMWWJXWKMUGPH-MLGOLLRUSA-N	289.806	4.931	70	10	CJIE	
Cc1cc(F)ccc1C[C@@H](O)c1ccccc1C(C)(C)C	159882684	WQJCRADVMQZYKM-GOSISDBHSA-N	286.390	4.708	70	10	CJIE	
CCCNC[C@@H](CCSc1ccccc1)C1CCCC1	159952752	BQPHGZQFCNWNMZ-QGZVFWFLSA-N	291.504	4.975	70	10	CJIE	
CC(C)(C)NC[C@@H](C[C@@H]1CCC(C)(C)O1)C1CCCC1	160980141	HMLIJAOXYVIQQB-CVEARBPZSA-N	281.484	4.529	70	10	CJIE	
CCCc1c(CNC(C)C)oc2c(C)c(C)cc(C)c12	161218777	QMKMNRZMQJTZON-UHFFFAOYSA-N	273.420	4.809	70	10	CJIE	
C1=C(C2(CNC3CC3)CC3(CCCC3)C2)CCCC1	161458533	HPNAREBLWMOFCH-UHFFFAOYSA-N	259.437	4.579	70	10	CJIE	
CCC[C@H]1CC[C@@H](NCC)[C@@H](Cc2cccc(F)c2)C1	217713203	YQVVGMBJKKTJFA-YXJHDRRASA-N	277.427	4.563	70	10	CJIE	
CCc1ccccc1N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218073199	DXDIEHKUGKVFDT-QILLFSRXSA-N	257.421	4.876	70	10	CJIE	
Cc1ccc(Cl)c(NCc2ccc3ccccc3n2)c1	218131159	UZNPTDGYAIKMRM-UHFFFAOYSA-N	282.774	4.809	70	10	CJIE	
C[C@H](F)c1csc2cc(Br)ccc12	218331458	GQDOYNMHPHQTPF-LURJTMIESA-N	259.143	4.694	70	10	CJIE	
CCCCC[C@@H](C)OCC(=C(C)C)[B-](F)(F)F	1901640324	TVXPNRAHJFVFQE-LLVKDONJSA-N	251.121	4.695	70	10	CJIE	
CC(C)=C(F)COc1ccc2cc([B-](F)(F)F)ccc2c1	2192532837	YUJLVEIWHYCVSQ-UHFFFAOYSA-N	297.080	4.536	70	10	CJIE	
Cc1cc(C)c(NCCC(C)C)c(Br)c1	159612555	BVWUQXSKWPZRGF-UHFFFAOYSA-N	270.214	4.524	70	10	CJIE	
CCN[C@H](CC1CCCCC1)c1c(C)oc(C)c1C	160983881	LYFSUVCOFLTQCR-MRXNPFEDSA-N	263.425	4.826	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1cccc(F)c1F	218122865	WRDQIUYJHWSDOA-JMSVASOKSA-N	267.363	4.838	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](Cc2ccc(Cl)cc2)C1	218749008	DEYXXMVBLXLUJN-VNQPRFMTSA-N	279.855	4.674	70	10	CJIE	
Fc1ccc([C@@H]2C[C@@H]2[B-](F)(F)F)c(C(F)(F)F)c1	2009404223	LNQPNPRCUDYCLC-CBAPKCEASA-N	270.964	4.549	70	10	CJIE	
CN(C)c1cccc(N[C@@H]2CCCC[C@H]2C(C)(C)C)c1	161110238	HMZVKFQPIPMLTC-IAGOWNOFSA-N	274.452	4.769	70	10	CJIE	
CCCN[C@@H](Cc1ccc(CC)s1)C1(C)CCCC1	161197528	MZLXNURSJZZEIP-INIZCTEOSA-N	279.493	4.802	70	10	CJIE	
CC(C)(C)C1CCC(c2nc3cc(O)ccc3[nH]2)CC1	161222964	FNPUAEZGFDPAJL-UHFFFAOYSA-N	272.392	4.588	70	10	CJIE	
CC[C@@H]1CCC[C@H](C(=O)C2(OC)CCC(C)(C)CC2)C1	161293692	SVEMDNUALBEMSI-CABCVRRESA-N	280.452	4.757	70	10	CJIE	
CCCCC1CCC([C@H](NN)[C@H]2CCC[C@@H](C)C2)CC1	217320171	DAMYZBGGJZWSJC-UIJHXXCUSA-N	280.500	4.641	70	10	CJIE	
CCN[C@@H]1CC[C@@H](CC)C[C@@H]1Cc1cc(C)cc(C)c1	217662193	PVGPPTWHVNAAON-BHIYHBOVSA-N	273.464	4.650	70	10	CJIE	
CC(C)[C@H](N[C@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1	217896806	YFJUWEBVUIDDKM-FZCLSBEQSA-N	259.437	4.798	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](c2cccc(C)c2C)C1	218719473	NKYHLROVOMOSLO-RYRKJORJSA-N	259.437	4.562	70	10	CJIE	
CC(C)=C(C)COc1ccc2ccccc2c1[B-](F)(F)F	2192536922	GZDSKKKLMJOFKU-UHFFFAOYSA-N	293.117	4.629	70	10	CJIE	
CC(C)=C(CN(C)[C@H](C)C1CCC(C)CC1)[B-](F)(F)F	2340145423	FGZPSLKSCSLVRR-ROKHWSDSSA-N	290.202	4.856	70	10	CJIE	
CC(C)(C)[C@@H]1CCCC[C@@]1(O)c1cccc2[nH]ccc12	159433604	LQVRMEZLWWPTRJ-FUHWJXTLSA-N	271.404	4.592	70	10	CJIE	
CCc1ccc(C[C@@H](CNCC(C)C)C2CCCC2)cc1	160014418	AUEUXGBYYHTLCN-FQEVSTJZSA-N	287.491	4.844	70	10	CJIE	
CCCCOCCCN[C@H](C)c1ccc2ccccc2c1	160199767	LUVWZFCKDCYVOZ-MRXNPFEDSA-N	285.431	4.697	70	10	CJIE	
CC(C)[C@H](Nc1cccc(N(C)C)c1)c1ccccc1	161126059	URQIJDBTRZRFSZ-SFHVURJKSA-N	268.404	4.562	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)Cc1cccc(Cl)c1	161356166	HCAUCSXPZJCRTI-KRWDZBQOSA-N	277.839	4.751	70	10	CJIE	
Cc1ccc(Cl)c2oc(CNC3CC3)c(C(C)C)c12	161419186	MXGFWWKDAYVVLN-UHFFFAOYSA-N	277.795	4.770	70	10	CJIE	
C[C@@H]1CCC[C@H]([C@@H](N)Cc2cccc3ccccc23)C1	217959097	WVROOUUJIIBDDW-LJHODMEESA-N	267.416	4.536	70	10	CJIE	
CCN[C@@H](Cc1ccc(CC)cc1)[C@H]1CCC[C@@H](C)C1	217983072	ALJOTHNFNKSHRS-MNEFBYGVSA-N	273.464	4.596	70	10	CJIE	
C[C@H]1CCCC[C@@H]1CN[C@H](C)c1ccc(F)c(Cl)c1	218156652	HGCCQRTYJWZRRF-OUCADQQQSA-N	283.818	4.956	70	10	CJIE	
CCCC[C@@H](CC)CO[C@H]1C[C@@H](CCC)CC[C@@H]1O	218556614	MKQMGFNUZNBFRH-QZWWFDLISA-N	270.457	4.549	70	10	CJIE	
COc1ccc2ccccc2c1[C@H]1C[C@H]1[B-](F)(F)F	2059003459	OGZOSTDRCGTKME-NWDGAFQWSA-N	265.063	4.553	70	10	CJIE	
CNc1cc(Oc2ccc(-c3ccccc3)cc2)ccn1	159366419	WVEVDLMNZKCQIC-UHFFFAOYSA-N	276.339	4.583	70	10	CJIE	
Cc1cccc([C@H](N)Cc2ccc(Cl)cc2Cl)c1F	160453736	IUHMSBDWLSVJPU-CQSZACIVSA-N	298.188	4.683	70	10	CJIE	
C[C@H]1CCC[C@H](NCCSCc2ccc(Cl)cc2)C1	160971231	QMPLYFSPLQGPHJ-BBRMVZONSA-N	297.895	4.742	70	10	CJIE	
CC(C)[C@H]1CCCC[C@H]1NCc1cc(F)cc(Cl)c1	160973030	QYIXNYQRPHZYDT-HZPDHXFCSA-N	283.818	4.784	70	10	CJIE	
CCCN[C@H](Cc1ccc(CC)s1)[C@H]1CCCCS1	161452102	WXMSSYACHDUIEK-HZPDHXFCSA-N	297.533	4.507	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)C)C[C@@H]1Cc1cccc(Cl)c1	217792732	HYGCQDAXFQUKGH-YQQAZPJKSA-N	279.855	4.543	70	10	CJIE	
Cc1cccc(/C=C/NC(=O)Nc2ccc(C(C)C)cc2)c1	217879112	UWZOUMVZEMYHAH-VAWYXSNFSA-N	294.398	4.911	70	10	CJIE	
C[C@H]1CCC[C@H]([C@@H](N)Cc2ccc(Cl)cc2Cl)C1	217949112	QQBDNTZTOJDTNG-WBIUFABUSA-N	286.246	4.690	70	10	CJIE	
CC(C)=C(CN(C)[C@@H](C)C1CCC(C)CC1)[B-](F)(F)F	2340145422	FGZPSLKSCSLVRR-MOKVOYLWSA-N	290.202	4.856	70	10	CJIE	
BrCCCCCCn1ccc2ccccc21	141775658	DGZUNPKHWNGWTB-UHFFFAOYSA-N	280.209	4.597	70	10	CJIE	
CC(C)NCc1sc([C@H]2CCC[C@@H](C)C2)nc1C1CC1	159534631	DMWVJYTUMRRDPS-OCCSQVGLSA-N	292.492	4.812	70	10	CJIE	
Cc1cccc(Nc2ncc(Cl)cc2Br)c1	159703608	PHMCDMMONHMXMQ-UHFFFAOYSA-N	297.583	4.550	70	10	CJIE	
CCSCC[C@H](C)N[C@H](C)c1ccc2c(c1)CCCC2	160028144	RTXAQDPCAKAMNM-LSDHHAIUSA-N	291.504	4.748	70	10	CJIE	
COc1cc(N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)ccc1F	160050955	PLLFAGUMWDEAKY-XNRPHZJLSA-N	279.399	4.707	70	10	CJIE	
CCCOc1ccc(NCc2cc(Cl)ccc2F)cc1	160810436	JAPAITJJZQRBTJ-UHFFFAOYSA-N	293.769	4.880	70	10	CJIE	
CCN[C@H](c1c(C)ccc2ccccc12)C1C[C@@H]2C[C@@H]2C1	160918777	UXKVXMYHBOJEQY-YLPFRIKTSA-N	279.427	4.845	70	10	CJIE	
CC(C)[C@@H]1CCC[C@H](Nc2cccc(N(C)C)c2)CC1	161068268	PXAAKPSCXHGMDD-CVEARBPZSA-N	274.452	4.769	70	10	CJIE	
CCCNCc1oc2cc(C)c(C)cc2c1C(C)C	161246190	FIBUIBJRUVRLOF-UHFFFAOYSA-N	259.393	4.673	70	10	CJIE	
CCCN[C@H](C)c1cnc(-c2cc(F)cc(Cl)c2)s1	161274380	OVARVMSBPUCNNY-SECBINFHSA-N	298.814	4.663	70	10	CJIE	
Clc1cc(Cl)cc(-c2cccc3c2NCC3)c1	217040567	RAKDBPCRNVLOGN-UHFFFAOYSA-N	264.155	4.628	70	10	CJIE	
CCC(CC)NC(=O)N(Cc1ccccc1)c1ccccc1	217304978	KXCZPAXFMMXUAK-UHFFFAOYSA-N	296.414	4.591	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NCC)[C@@H](Cc2ccc(F)cc2F)C1	217714668	DINXAORMNNXFRJ-DDUZABMNSA-N	295.417	4.702	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@@H](O)[C@@H](Cc2ccccc2Cl)C1	218308203	HDMNPHBOKGLILQ-SQWLQELKSA-N	280.839	4.706	70	10	CJIE	
Cc1ccc([C@H](C)N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)o1	218621558	NQOCGFZFTVLWEO-ARLBYUKCSA-N	263.425	4.699	70	10	CJIE	
CCN[C@@H]1CC[C@@H](C(C)(C)CC)C[C@@H]1OCCC(C)C	218780755	GXPUIBCIQCUTQK-ZACQAIPSSA-N	283.500	4.632	70	10	CJIE	
CCc1csc(SCC(=C(C)C)[B-](F)(F)F)n1	1901650174	NYJGEPHUFVHFSQ-UHFFFAOYSA-N	280.169	4.521	70	10	CJIE	
CC(C)(C)C1(CN2CC[C@@](C)([B-](F)(F)F)C2)CCC1	2319749252	MTFYBZUFFMLHDV-CYBMUJFWSA-N	276.175	4.516	70	10	CJIE	
CC(C)=C(CN(C)CC1CC(C(C)(C)C)C1)[B-](F)(F)F	2340325785	NKXUYCJZKWTXFI-UHFFFAOYSA-N	290.202	4.714	70	10	CJIE	
C[C@H](N[C@H](C)[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(Cl)cc1	159978386	IKQABFZMPZCZEC-VBWUIIQKSA-N	275.823	4.591	70	10	CJIE	
Cc1ccc([C@@H](C)N[C@H]2CCc3ccc(C)cc32)c(C)c1	160807728	JXODCDGMYRGPDW-UZLBHIALSA-N	279.427	4.950	70	10	CJIE	
CCN[C@H](c1ccccc1)c1c(C)ccc2ccccc12	160922309	RAMFCWGWLQKUPA-HXUWFJFHSA-N	275.395	4.847	70	10	CJIE	
CC(C)[C@H]1CCCC[C@@H]1NCc1cc(F)cc(Cl)c1	160972786	QYIXNYQRPHZYDT-CVEARBPZSA-N	283.818	4.784	70	10	CJIE	
CCCN[C@H](c1cncc(C)c1)C1CCC(C(C)C)CC1	160986353	FKXMYIDUWYPCHW-TVPLGVNVSA-N	288.479	4.893	70	10	CJIE	
CCCNC[C@@H]1CC[C@H](C(C)C)C[C@@H]1c1cncc(C)c1	161037667	JIPWXQYPFAEEKZ-LNLFQRSKSA-N	288.479	4.546	70	10	CJIE	
CCCNCc1oc2ccc(CCC)cc2c1CCC	161456570	BIWDOFIJMNYKNY-UHFFFAOYSA-N	273.420	4.837	70	10	CJIE	
C[C@H](O[C@H](c1ccc(Cl)s1)[C@H](C)N)c1ccccc1	217931978	MGZDSGHOXCNHPG-PGUXBMHVSA-N	295.835	4.568	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@H](N)[C@@H](c2cccc(C(F)(F)F)c2)C1	218549336	SBOYRAIRBURPNH-YUELXQCFSA-N	299.380	4.963	70	10	CJIE	
CC(C)(C)/C=C/NC(=O)Nc1cccc2ccccc12	218564159	PZLWQYVQSZVYFN-VAWYXSNFSA-N	268.360	4.521	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1	1882184250	JBMLKPBOGQWIOH-HOTGVXAUSA-N	291.101	4.971	70	10	CJIE	
CCSCC[C@@H](C)N[C@@H](C)c1cc(C)c(C)cc1C	160050196	MLGMOCGNXDWDFS-CVEARBPZSA-N	279.493	4.794	70	10	CJIE	
CN[C@H](c1c(Cl)cnn1C(C)C)C1CCC(C)(C)CC1	160453697	KAPCSVQYSYMUHK-AWEZNQCLSA-N	297.874	4.594	70	10	CJIE	
CN[C@H](CC1CCCCC1)c1ccc(C(F)(F)F)cc1	160994029	DWXDYTJNAQUGCC-OAHLLOKOSA-N	285.353	4.936	70	10	CJIE	
CCN[C@@H]1CC[C@H](CC)C[C@@H]1CCCc1ccccc1	217666927	NZCRBINOVJBQFU-YTQUADARSA-N	273.464	4.814	70	10	CJIE	
CCC[C@H]1CC[C@@H](NC)[C@@H](Cc2ccc(CC)cc2)C1	217700883	WZGCRNULAMTPSH-QXAKKESOSA-N	273.464	4.596	70	10	CJIE	
CCCCC[C@H](C)NCCO[C@@H]1C[C@@H](C)CC(C)(C)C1	217912637	QQMCFUAQVRYRMS-IXDOHACOSA-N	283.500	4.776	70	10	CJIE	
Cc1nc(C(C)(C)C)sc1[C@@H](C)N[C@@H]1CCC[C@@H](C)C1	218005325	CTGAHXDUFMEJOI-YRGRVCCFSA-N	294.508	4.978	70	10	CJIE	
Cc1cc(N(C)C)ccc1N[C@H]1C[C@@H](C)CC[C@H]1C(C)C	218017235	STGHRXOGUAUOPC-FNHZYXHNSA-N	288.479	4.934	70	10	CJIE	
CCCCCC[C@@H](C)O[C@H]([C@@H](N)CC)C(C)(C)C	218259801	OXWQPEYSBHJVTL-QLFBSQMISA-N	257.462	4.514	70	10	CJIE	
CCCC[C@@H](CC)CO[C@H](c1ccccc1F)[C@@H](N)CC	218271768	MPVOFVBSZQDDSD-FHLIZLRMSA-N	295.442	4.837	70	10	CJIE	
CC[C@@H]1CCC[C@@H]([C@@H](NC)c2cc(F)ccc2Cl)C1	218497164	HMEHPMIVWIYUDD-XHBSWPGZSA-N	283.818	4.956	70	10	CJIE	
Fc1c([C@@H]2C[C@@H]2[B-](F)(F)F)cccc1C(F)(F)F	2009403629	DVKPGXYOWVFRIL-XPUUQOCRSA-N	270.964	4.549	70	10	CJIE	
C=C(CCOC[C@@H]1C[C@H]1C1CCCCCC1)[B-](F)(F)F	2135980348	QRDACFNGIWJHIX-GJZGRUSLSA-N	289.170	4.942	70	10	CJIE	
CC(=CCN1CC[C@H]([B-](F)(F)F)C1)CCCC(C)C	2319701719	ASKHXXAFHLXFJB-AWEZNQCLSA-N	276.175	4.682	70	10	CJIE	
CNC[C@H](Cc1ccccc1Cl)[C@@H]1C[C@@H]1c1ccccc1	159399387	KMLVFAMYITXOKM-KSZLIROESA-N	299.845	4.522	70	10	CJIE	
O[C@H](c1ccc(Cl)c2cccnc12)C1CCCCC1	160420066	UQLBMNBSXQQDBR-INIZCTEOSA-N	275.779	4.502	70	10	CJIE	
CCO[C@@]1(C(=O)c2ccc(C(C)C)cc2)CCC[C@H](C)C1	161224995	RANMOUZELSCZST-KXBFYZLASA-N	288.431	4.978	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1ccc(C)c(C)c1	161370934	SARROWSZKVKCQC-SFHVURJKSA-N	257.421	4.845	70	10	CJIE	
CCCc1ccc2oc(CNC(C)C)c(CCC)c2c1	161456424	SIQQVFGBYXCDCC-UHFFFAOYSA-N	273.420	4.836	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1ccc(N(C)C)cc1	217903407	CADBIXBEDYAEIH-QGTPRVQTSA-N	274.452	4.625	70	10	CJIE	
c1ccc2c(c1)Cc1cc(N[C@H]3C[C@@H]4CC[C@H]3C4)ccc1-2	218064050	XPKRZMNSEOZYLK-AFBRZQFHSA-N	275.395	4.858	70	10	CJIE	
CCCN[C@@H]1CCCC[C@H]1O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	218748660	FRZXOEXCMBDXQF-UURKPOQGSA-N	295.511	4.775	70	10	CJIE	
CC(C)CC1(c2nc3c([nH]2)C[C@@H](C)[C@H](C)C3)CCCC1	216970130	QLSVCNCXVXZARZ-ZIAGYGMSSA-N	274.452	4.638	70	10	CJIE	
c1cc2c(s1)CCC[C@H]2N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	217577426	WQGVYUSEDKFYMM-DNUWFKPPSA-N	287.472	4.540	70	10	CJIE	
C[C@H]1[C@H](C)CCC[C@H]1N[C@H](C)c1ccc(F)cc1Cl	217892526	JZBFDTWKOYRLIW-AZKPJATDSA-N	283.818	4.954	70	10	CJIE	
CCN[C@H](Cc1ccc(Cl)cc1)[C@@H]1CCC[C@@H](C)C1	218007076	JYNNHVMNMVAEOZ-FRFSOERESA-N	279.855	4.687	70	10	CJIE	
CC(C)=C(CO[C@H]1CCCc2ccccc21)[B-](F)(F)F	2340159765	HNUPWWQAQVIPGB-HNNXBMFYSA-N	283.122	4.804	70	10	CJIE	
CCN[C@@H](Cc1ccc(F)cc1Cl)C1(CC)CCCC1	160580677	MSENWUJZOIMOHX-INIZCTEOSA-N	297.845	4.970	70	10	CJIE	
CC(C)Oc1ccc(NCc2cc(F)cc(Cl)c2)cc1	160827992	YPVIMFSUQPOTPD-UHFFFAOYSA-N	293.769	4.878	70	10	CJIE	
CCCN[C@H](c1cc(C)c(C)cc1C)[C@H]1CCCS1	161117102	IDRQIVYGKGIHFK-IAGOWNOFSA-N	277.477	4.548	70	10	CJIE	
CCN[C@H]1CC[C@@H](CC)C[C@@H]1Cc1ccc(C)c(C)c1	217667159	JTWRBLPIFBBNNU-QRQLOZEOSA-N	273.464	4.650	70	10	CJIE	
Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@@H]1CCC[C@@H](C)C1	218005430	CTGAHXDUFMEJOI-MBNYWOFBSA-N	294.508	4.978	70	10	CJIE	
CC(C)=C(CN(C)Cc1ccc(Cl)s1)[B-](F)(F)F	2301855493	ZPUQUVUXIITETL-UHFFFAOYSA-N	296.574	4.556	70	10	CJIE	
C[C@]1([B-](F)(F)F)CCN(CC[C@H]2CCCCC23CC3)C1	2342543001	DRPAYXBOMCWNQP-KGLIPLIRSA-N	288.186	4.660	70	10	CJIE	
CCCCC[C@@H](NCC)c1ccc(C(F)(F)F)cc1	159500527	YEPMOSZVEIJFQI-CQSZACIVSA-N	273.342	4.936	70	10	CJIE	
CC(C)(C)NCc1sc(C2CCCC2)nc1C1CC1	159637465	AIHWBTAPVZEKBI-UHFFFAOYSA-N	278.465	4.566	70	10	CJIE	
CCc1ccc([C@@H](CC)Nc2ccc(F)c(OC)c2)cc1	159928243	WXEMXHUMWOXENJ-QGZVFWFLSA-N	287.378	4.960	70	10	CJIE	
CCSCC[C@H](C)N[C@H](C)c1cc2c(s1)CCCC2	160042668	VPPCXULFYGETBX-QWHCGFSZSA-N	297.533	4.809	70	10	CJIE	
CCSCC[C@H](C)NCc1c(Cl)oc2ccccc12	160073644	YPQOLKWMRYOTTK-NSHDSACASA-N	297.851	4.708	70	10	CJIE	
CCCN[C@H](C1=CCCCO1)c1cc2sccc2s1	160277746	QPWIWMMFVGPMJP-OAHLLOKOSA-N	293.457	4.698	70	10	CJIE	
Cc1ccc([C@@H](O)c2c(C)ccc3ccccc23)cc1C	160982970	TYXZWODLKGAUTF-HXUWFJFHSA-N	276.379	4.847	70	10	CJIE	
CC[C@H]1CCc2nc(C3CCCCCCC3)[nH]c2C1	216970503	BHVLMVMPDSYMEG-ZDUSSCGKSA-N	260.425	4.753	70	10	CJIE	
CCCCCN(C(C)C)[C@H](c1cccc(F)c1)[C@@H](N)CC	217825492	RJIFPFMKHQIVMW-ZWKOTPCHSA-N	294.458	4.505	70	10	CJIE	
CCCCCN(C(C)C)[C@@H](c1ccc(C)cc1)[C@@H](N)CC	217825925	BXFCETFDSAYDFV-OALUTQOASA-N	290.495	4.674	70	10	CJIE	
CCCCN(CCCC)C(=O)N/C=C/c1ccc(C)cc1	218116199	ACBWOXPODOYRSG-OUKQBFOZSA-N	288.435	4.578	70	10	CJIE	
CC[C@H]1CC[C@H](O)[C@@H](Oc2ccccc2[C@H](C)CC)C1	218547483	AYHCHXONRUOWRC-OAOQPFQOSA-N	276.420	4.519	70	10	CJIE	
CCCN[C@@H]1CC[C@@H](CCC)C[C@@H]1N(C)C1CCCCC1	218603489	OMDBEBFFRKLASL-QRQLOZEOSA-N	294.527	4.588	70	10	CJIE	
CC(C)c1ccccc1CN1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2194157331	JPWPEYIHPJBLEN-GOEBONIOSA-N	296.165	4.623	70	10	CJIE	
Cc1ccc(CC(=O)c2cn(C)c3cc(Cl)ccc23)cc1	159621531	MWOXERBUIFLVCR-UHFFFAOYSA-N	297.785	4.566	70	10	CJIE	
CCCCCC(CCCCC)NC[C@@H](C)N1CCCC1	160777020	SYMNWWAOEBXOML-QGZVFWFLSA-N	282.516	4.590	70	10	CJIE	
CC(C)c1ccc(C[C@H](N)CC2=CCCCC2)cc1	161207569	JAFGSTUPBAIHFJ-GOSISDBHSA-N	257.421	4.570	70	10	CJIE	
Cc1c(Cl)nc(C2CC2)nc1O[C@@H]1CC[C@@H](C)[C@@H](C)C1	217542539	WFAGYOMOKSJMJN-GBIKHYSHSA-N	294.826	4.519	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1ccccc1CN(C)C	217607200	VXCWDUTZDLWSHN-WDYCEAGBSA-N	288.479	4.621	70	10	CJIE	
CCCCCC[C@H](NCCC)[C@@]1(N(C)C)CCC[C@@H](C)C1	217657017	ZRLCZFQGOAAQCH-CEXWTWQISA-N	296.543	4.836	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](c2cc(C)ccc2C)C1	218753700	BVAPHIHANVBYPH-NUJGCVRESA-N	259.437	4.562	70	10	CJIE	
CCN[C@H](CC[C@H]1C[C@@H]1c1ccccc1)C(C)(C)C	159529858	CNADQWLZVXATHL-GVDBMIGSSA-N	259.437	4.595	70	10	CJIE	
CCC1([C@H](O)c2ccccc2C2CCC2)CCCC1	160002133	HGILJTQVQUKZOF-QGZVFWFLSA-N	258.405	4.958	70	10	CJIE	
CC(C)N[C@@H](C)c1ccc2ccccc2c1OCCCF	161299829	IHQRRXVNXSXKIG-AWEZNQCLSA-N	289.394	4.637	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc([C@@H](O)C3CCC3)ccc21	161497701	KXBQEQHBAKHIFT-KRWDZBQOSA-N	272.432	4.869	70	10	CJIE	
Cc1ccc([C@@H](NC[C@@H]2CCCC[C@H]2C)C2CC2)cc1	218154925	WLEOKLMGJDLHQM-AYOQOUSVSA-N	271.448	4.862	70	10	CJIE	
CC[C@@H]1CCCC[C@@H]1OC[C@@H](O)c1ccc(C(C)C)cc1	218548047	JLWHPPDZKRFFGA-LZQZEXGQSA-N	290.447	4.829	70	10	CJIE	
CC[C@@H](O[C@H]1C[C@@H](C)CC(C)(C)C1)[C@@H](O)c1ccccc1	218554202	NBUTZVRDSLPPNA-SPUZQDLCSA-N	290.447	4.730	70	10	CJIE	
CCCCN([C@@H](C)CC)[C@@H]1C[C@@H](CC)CC[C@@H]1NCCC	218699114	PFYQOQXNXJJCSO-CADBVGFASA-N	296.543	4.834	70	10	CJIE	
CCNc1cc(Oc2ccc(C(C)(C)C)cc2C)ccn1	159376841	VXHNRCVMAXOLEK-UHFFFAOYSA-N	284.403	4.912	70	10	CJIE	
CCCCC[C@@H](NCCC)c1ccc(C)c(OC)c1	159572966	CTLJUYYLJOGWGR-MRXNPFEDSA-N	263.425	4.625	70	10	CJIE	
CCCN[C@H](c1c(C)ccc2ccccc12)[C@H]1C[C@@H]1C	160932385	IJGZTNBRZKTCQG-FNHZYXHNSA-N	267.416	4.845	70	10	CJIE	
CCCc1c(CNC(C)C)oc2c(Cl)cc(F)cc12	161441544	SXIVLAMUXVLXDB-UHFFFAOYSA-N	283.774	4.676	70	10	CJIE	
CCC[C@H]1CC[C@H](O)[C@@H](Cc2cccc3ccccc23)C1	218299494	PAFIDRHMUQMCNI-CVAIRZPRSA-N	282.427	4.960	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@H](O)[C@@H](Cc2cccc(Cl)c2)C1	218307930	SSIRPMRJJBFECR-DZKIICNBSA-N	280.839	4.706	70	10	CJIE	
C=C(COc1ccc([C@@H](C)CC)cc1)[B-](F)(F)F	232352051	JWWCLDATMBHQDN-JTQLQIEISA-N	257.084	4.522	70	10	CJIE	
C=C(CCN1CCC[C@@H](C2CCCCC2)C1)[B-](F)(F)F	2107130981	YTPVOHUOIXZORR-OAHLLOKOSA-N	288.186	4.612	70	10	CJIE	
C=C(CCOC[C@H]1C[C@H]2CCC[C@H]1CC2)[B-](F)(F)F	2316864452	DHAZAGPKNRCCQA-MELADBBJSA-N	275.143	4.552	70	10	CJIE	
CCSCC[C@H](C)NCc1ccc(-c2ccccc2)cc1	159989722	NSCAUYZBVKXBMA-INIZCTEOSA-N	299.483	4.975	70	10	CJIE	
CC(C)(C)NC[C@H](CCC[C@@H]1CCCO1)C1CCCC1	160006196	RBVVJMQSEVWSHT-DLBZAZTESA-N	281.484	4.530	70	10	CJIE	
Cc1cc([C@H](N)Cc2ccc(F)cc2Cl)ccc1Cl	160579536	MLOUINZJKKJZAQ-OAHLLOKOSA-N	298.188	4.683	70	10	CJIE	
Cc1ccc(N[C@@H](C)c2ccc(F)c(F)c2)cc1N(C)C	161142339	JTUWLYAVJSGINR-LBPRGKRZSA-N	290.357	4.512	70	10	CJIE	
N[C@@H](CC1=CCCCC1)c1ccc(C2CCC2)cc1	161207428	LXMVZKDDSKDVEQ-SFHVURJKSA-N	255.405	4.844	70	10	CJIE	
CCN(C(=O)Nc1ccccc1Cl)c1cccc(C)c1	217275563	FPSOBNQZVNQCQB-UHFFFAOYSA-N	288.778	4.707	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NC)[C@@H](Cc2ccc(F)cc2Cl)C1	217709916	NMWQLWPZYYWDRU-SUYBPPKGSA-N	297.845	4.826	70	10	CJIE	
Cc1nc(C)c([C@H](C)N[C@H]2C[C@@H](C)CC[C@H]2C(C)C)s1	218125644	UYIWIRUJAIKIJL-MZGVZZPPSA-N	294.508	4.871	70	10	CJIE	
CCCNC[C@@H](O[C@@H]1CCC[C@@H](C)C1)c1ccc(C)cc1	218758631	IKVUUBATUJHCEV-BHIYHBOVSA-N	289.463	4.631	70	10	CJIE	
CC[C@H]1CCC[C@H](c2nc(CC(C)C)c(CNC)s2)C1	159697399	ZQTNYLKIHZCQHB-KBPBESRZSA-N	294.508	4.745	70	10	CJIE	
CCCNC[C@H](Cc1ccc(CC)cc1)C1CCCC1	159948106	BQSWWQAXUWRBMK-IBGZPJMESA-N	273.464	4.598	70	10	CJIE	
Cc1ccc(C[C@@H](C)NCc2ccc(Cl)cc2F)s1	160833270	HMUXSIKUNXNNOJ-SNVBAGLBSA-N	297.826	4.570	70	10	CJIE	
O[C@@H](c1ccc(C2CCC2)cc1)c1cc(F)cc(Cl)c1	161195907	IHUBRIXFLIZZQL-KRWDZBQOSA-N	290.765	4.828	70	10	CJIE	
CC(C)(C)c1ccc(C[C@@H](N)c2sccc2Cl)cc1	161285600	DCYJBYZPQQHECP-CQSZACIVSA-N	293.863	4.942	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1cc(Cl)ccc1OC	161349693	QCAARLVREDEMDK-MRXNPFEDSA-N	293.838	4.890	70	10	CJIE	
CCCN[C@H](CCc1ccccc1)CC1=CCCCC1	161385392	UVTKXWAAMGDDBN-LJQANCHMSA-N	271.448	4.878	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCCNC1CCCCCC1	217891001	UADQOGYRVQNNAT-NEWSRXKRSA-N	295.511	4.776	70	10	CJIE	
CN[C@@H](c1ccc(OC(C)C)cc1)[C@@H]1CCC[C@@H](C)C1	217959410	IEJQWPCWMYYALX-KYJSFNMBSA-N	275.436	4.561	70	10	CJIE	
C=C(CCSCC1CC(C(F)(F)F)C1)[B-](F)(F)F	2250094111	UURKLWLCPJNUSD-UHFFFAOYSA-N	291.089	4.641	70	10	CJIE	
Cc1ccc(C)c(C[C@H](CNC(C)C)C2CCCC2)c1	159972135	QWLRCPVNGWQEPO-LJQANCHMSA-N	273.464	4.650	70	10	CJIE	
O[C@H](c1cc2ccccc2s1)[C@@H]1C[C@@H]1c1ccccc1	160047716	KUDQWGISASUVKV-RKVPGOIHSA-N	280.392	4.738	70	10	CJIE	
Cc1cccc([C@@H](O)c2ccc(OC(C)C)cc2)c1Cl	160417787	YRGUJCDOTNUAIN-KRWDZBQOSA-N	290.790	4.517	70	10	CJIE	
CCNCc1ccc(-c2c(C)ccc3ccccc23)cc1	160961555	HTCIKWDGZQYRED-UHFFFAOYSA-N	275.395	4.925	70	10	CJIE	
CO[C@@]1(C(=O)Cc2ccc(C(C)C)cc2)CCC[C@@H](C)C1	161070799	QWUKIPYPYMPXBX-BEFAXECRSA-N	288.431	4.517	70	10	CJIE	
CC[C@@H](N[C@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1OC	217883330	IAGXHIBXAHRPRL-WTTBNOFXSA-N	275.436	4.561	70	10	CJIE	
Cc1ccccc1C1CC(N[C@H]2CCC[C@H](C)[C@H]2C)C1	218066236	XJFXJROTDJOXHA-BOMWOHNRSA-N	271.448	4.655	70	10	CJIE	
Cc1cc(CN[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c(C)s1	218139395	SDBOJFKKURGHFW-YQQAZPJKSA-N	277.477	4.669	70	10	CJIE	
Fc1ccc([C@H]2C[C@@H]2[B-](F)(F)F)cc1C(F)(F)F	2009403661	FHHCWKLMDSNCRB-SVRRBLITSA-N	270.964	4.549	70	10	CJIE	
F[B-](F)(F)C=Cc1sc(Cl)cc1Br	2242106358	PKSUCSTVJJDQCX-UHFFFAOYSA-N	290.320	4.564	70	10	CJIE	
CCN(CC(=C(C)C)[B-](F)(F)F)c1cccc(C)c1	2317846731	CDDAXUFEQAMNAS-UHFFFAOYSA-N	270.127	4.544	70	10	CJIE	
CSc1ccc([C@H](O)c2ccccc2C2CCC2)cc1	159998630	IJDYUEBPVXKEJK-SFHVURJKSA-N	284.424	4.758	70	10	CJIE	
CN[C@@H](c1ccc(C)cc1C)C1C2CC3CC(C2)CC1C3	160131934	AAGODGQSPWVCNS-UMSBGXLASA-N	283.459	4.636	70	10	CJIE	
COC1(C(=O)c2cccc3ccccc23)CCC(C)CC1	160971196	XAWCLHQEDMRADM-UHFFFAOYSA-N	282.383	4.618	70	10	CJIE	
Cc1ccc(N[C@H]2CCC(C)(C)C[C@@H]2C)cc1N(C)C	161235245	KHZIVMRYMGTSAJ-HOCLYGCPSA-N	274.452	4.688	70	10	CJIE	
CN[C@H](CC1=CCCCC1)Cc1cccc(F)c1Cl	161267197	YJQHSKJMOOYNMN-CQSZACIVSA-N	281.802	4.500	70	10	CJIE	
c1ccc(C[C@H](NCCCC2CC2)c2ccccc2)cc1	161377110	UOMIOAMGOPPYTB-FQEVSTJZSA-N	279.427	4.750	70	10	CJIE	
CC[C@H]1CC[C@H](N)[C@@H](Cc2cccc3ccccc23)C1	217642937	ZCDPELYDALEOSI-YJLNNSPDSA-N	267.416	4.536	70	10	CJIE	
CCCN[C@@H]1CC[C@H](CCC)C[C@@H]1Cc1ccccc1	217734864	KALKURVJBQHPLH-QXAKKESOSA-N	273.464	4.814	70	10	CJIE	
Cc1sc([C@@H]2C[C@H]2[B-](F)(F)F)cc1Br	1882176528	HVCYGHMGGDDUMH-PHDIDXHHSA-N	283.929	4.524	70	10	CJIE	
CCCN(CC(=C(C)C)[B-](F)(F)F)Cc1ccccc1	1889155053	VRNJQAYFJXNXPU-UHFFFAOYSA-N	284.154	4.622	70	10	CJIE	
Fc1cc(C(F)(F)F)ccc1[C@@H]1C[C@H]1[B-](F)(F)F	1908066105	CSDZNINSUSVKJW-JGVFFNPUSA-N	270.964	4.549	70	10	CJIE	
CCCN[C@@H](C)c1ccccc1N1CC[C@H](C(C)(C)C)C1	160320917	JPEKXCGNORDRDV-HOTGVXAUSA-N	288.479	4.620	70	10	CJIE	
CCN[C@@H](Cc1ccccc1F)c1cccc(C)c1Cl	160359005	XJTGPMNHOLTXSZ-INIZCTEOSA-N	291.797	4.681	70	10	CJIE	
CCCN[C@@H]1CCCCCC[C@H]1Oc1ccc(F)cc1C	160561536	YMOLHJHUNTWIKK-SJLPKXTDSA-N	293.426	4.604	70	10	CJIE	
CCN[C@@H]1CC[C@H](CC)C[C@@H]1Cc1ccc(Cl)cc1	217671610	IXZOEHIKWNHNNG-YSVLISHTSA-N	279.855	4.687	70	10	CJIE	
CCOc1ccc([C@H](C)N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1	217731949	PVDUOBISKOOGDX-VYDXJSESSA-N	289.463	4.951	70	10	CJIE	
F[B-](F)(F)/C=C/c1cccc(C(F)(F)F)c1Cl	309638759	QGLCSRDIFGWWCM-SNAWJCMRSA-N	273.392	4.759	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@H]1c1cc(Br)ccc1Cl	1885275690	WWBRQTXCYYMZIJ-XPUUQOCRSA-N	298.318	4.807	70	10	CJIE	
C=CCC[C@H](C)Oc1ccc2ccccc2c1[B-](F)(F)F	2158323639	KJSVGTNKXVBMCJ-LBPRGKRZSA-N	293.117	4.628	70	10	CJIE	
CC(C)=C(CN(C)CCCCCC1CC1)[B-](F)(F)F	2317988674	HWJCXJHCMCZADH-UHFFFAOYSA-N	276.175	4.612	70	10	CJIE	
COc1cc(N[C@H](C)c2cc(C)cc(C)c2)ccc1F	159926239	JLVBYDJEEZMFAM-CYBMUJFWSA-N	273.351	4.624	70	10	CJIE	
Cc1ccc2ccccc2c1-c1cc(F)ccc1N	160953968	NLCNSPNQTYNBMJ-UHFFFAOYSA-N	251.304	4.537	70	10	CJIE	
CCC(CC)[C@@H](O)c1ccc(Br)cc1Cl	161050762	XVIGJQXAAVSZOY-GFCCVEGCSA-N	291.616	4.572	70	10	CJIE	
CCc1ccc(C[C@@H](NC)c2c(C)cc(C)cc2C)s1	161120994	XVFWGGVLVRQQBO-QGZVFWFLSA-N	287.472	4.739	70	10	CJIE	
CC[C@@H](C)c1ccc(C(=O)c2sccc2OC)cc1	161428672	SULDJSKYFHPHTM-LLVKDONJSA-N	274.385	4.501	70	10	CJIE	
CC(C)Cc1c(CNC2CC2)oc2c(Cl)cc(F)cc12	161439957	JNVKKWFBXNSPSK-UHFFFAOYSA-N	295.785	4.676	70	10	CJIE	
CC(=O)c1ccc(SC/C=C\c2ccccc2)cc1	217703271	CBWDPJDTCFTRKM-YVMONPNESA-N	268.381	4.695	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@@H](O)[C@@H](CCCOc2ccccc2)C1	218305998	BMLLSJVWXDKDAF-LZLYRXPVSA-N	290.447	4.669	70	10	CJIE	
CC(C)NC[C@H]1CC[C@@H](C)C[C@@H]1Cc1cc(F)cc(F)c1	218725497	WUDDGRFOQSKWGG-FVQBIDKESA-N	295.417	4.558	70	10	CJIE	
CCCCCCCCCCC1(S(=O)(=O)Cl)CC1	710233985	VXUPKSJEDWMFGO-UHFFFAOYSA-N	280.861	4.618	70	10	CJIE	
CC1(C)CCC[C@H](CN2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)C1	2138382924	HAJTXTRHBVTNAY-GUTXKFCHSA-N	288.186	4.516	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OC[C@H]1CCC[C@H](C)C1	2197461436	LZWLMRCFZOKOIQ-STQMWFEESA-N	299.165	4.509	70	10	CJIE	
CC[C@@H](C[C@H](C)CC)N[C@H](C)c1ccc(OC)cc1	160088577	PAVACWHXCDENPJ-FMKPAKJESA-N	263.425	4.561	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](O)C1CCCCC1	161007943	LVRNVRGUGLAAPR-GOSISDBHSA-N	254.373	4.762	70	10	CJIE	
CCCN[C@H](C)c1csc(-c2cc(F)cc(Cl)c2)n1	161275212	APOOZDQYORSLOC-SECBINFHSA-N	298.814	4.663	70	10	CJIE	
CCCc1c(CNCC)oc2c(C(C)C)ccc(C)c12	161406997	YYUUCQKTPUFLRE-UHFFFAOYSA-N	273.420	4.927	70	10	CJIE	
Cc1ccccc1/C=C/NC(=O)Nc1ccccc1C(C)C	217659761	YQSCQHSKSUBMSU-OUKQBFOZSA-N	294.398	4.911	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)C)C[C@@H]1CCCc1ccccc1	217789006	BWGXGIRTUJFBPG-GBESFXJTSA-N	273.464	4.670	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1N[C@@H](C)c1ccc(O)cc1	217883107	XWHQBLAUHJGKQH-ZZCKCESHSA-N	275.436	4.504	70	10	CJIE	
CC(C)[C@H](N[C@H]1CCC[C@@H](C)[C@@H]1C)c1cccs1	217887891	VATACIGVZYOUDQ-HOSILWTGSA-N	265.466	4.860	70	10	CJIE	
CC(C)=C(CSC[C@@H]1CC[C@H](C)C1)[B-](F)(F)F	1901639374	JIXGFUXMGMNKQZ-WDEREUQCSA-N	265.173	4.879	70	10	CJIE	
C=C(CCSC[C@@H](OC)C1CCCCC1)[B-](F)(F)F	2256653605	HMAZQVXXZOJBSP-CYBMUJFWSA-N	295.199	4.648	70	10	CJIE	
CC(C)CNC[C@H]([C@@H]1C[C@@H]1c1ccccc1)C(C)(C)C	159480909	HIQFVOBXDBMJMM-KZNAEPCWSA-N	273.464	4.698	70	10	CJIE	
CCCCCn1cc(CNC2CC2)c2ccc(Cl)cc21	159947182	RFXFJJPLFUNHRM-UHFFFAOYSA-N	290.838	4.737	70	10	CJIE	
CCc1ccc(CC)c([C@@H](N)c2cccc(C)c2Cl)c1	160314026	YBKRIFMSNNUJOW-SFHVURJKSA-N	287.834	4.821	70	10	CJIE	
CCc1cccc(C)c1NCc1coc2ccccc12	161090369	GULVQHPGPYQLRG-UHFFFAOYSA-N	265.356	4.916	70	10	CJIE	
CN[C@H](CC1=CCCCC1)c1ccccc1OC(F)(F)F	161261116	IMCYDHJLJBVASV-CQSZACIVSA-N	299.336	4.736	70	10	CJIE	
CCCN[C@@H](Cc1ccc(C(C)(C)C)cc1)[C@@H](C)C1CC1	161299275	WHYXGNXCEMSNDZ-KXBFYZLASA-N	287.491	4.941	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1c(F)ccc(C)c1F	161373412	VFTRKEXHPQLAPO-OAHLLOKOSA-N	279.374	4.814	70	10	CJIE	
Cc1sc(-c2ccccc2Cl)nc1Br	217251144	ARGOTAJVWPTMSD-UHFFFAOYSA-N	288.597	4.534	70	10	CJIE	
C1CC[C@@H]2C[C@H](N[C@@H]3C[C@@H]4C[C@H]3[C@@H]3CCC[C@H]43)CC[C@@H]2C1	217643640	SVAXZDXSJJDZKL-YNSWWYLHSA-N	287.491	4.760	70	10	CJIE	
CCN[C@H](Cc1ccc(Cl)cc1)[C@H]1CCC[C@@H](C)C1	218007244	JYNNHVMNMVAEOZ-UKPHBRMFSA-N	279.855	4.687	70	10	CJIE	
CCCN[C@@H](Cc1ccc(C)cc1)[C@H]1CCC[C@@H](C)C1	218028490	UZANEGVJULJJKC-NEWSRXKRSA-N	273.464	4.732	70	10	CJIE	
CC[C@H](C)[C@@H](C)Oc1ccc2cc([B-](F)(F)F)ccc2c1	319571271	HFQFDCCPVWULGQ-NWDGAFQWSA-N	295.133	4.708	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@H]1c1ccc(Br)cc1Cl	1885274705	NXRJMHOYEXEPJM-JGVFFNPUSA-N	298.318	4.807	70	10	CJIE	
CCSCC[C@@H](C)N[C@@H](C)c1oc2ccccc2c1C	159978047	WADKZZTUFRFJFN-OCCSQVGLSA-N	291.460	4.924	70	10	CJIE	
CCSCC[C@H](C)N[C@@H](C)c1ccc(C(C)C)cc1	160036819	SSSMKXHYKKEBMD-GJZGRUSLSA-N	279.493	4.992	70	10	CJIE	
FC(F)(F)c1ccccc1[C@@H]1CCNC[C@H]1C1CCCC1	160127320	WVUIENJUOBOPQO-ZFWWWQNUSA-N	297.364	4.589	70	10	CJIE	
CCCc1ccc([C@@H]2CNc3cccc(Cl)c3O2)cc1	160534962	VIHIWHPXGHJZER-INIZCTEOSA-N	287.790	4.838	70	10	CJIE	
C[C@@H]1Nc2ccc(Cl)cc2O[C@H]1c1ccc(Cl)cc1	160571345	FDNKZMIGUBXROK-BJOHPYRUSA-N	294.181	4.928	70	10	CJIE	
CCC[C@H]1CC[C@H](NC)[C@@H](Cc2c(F)cccc2Cl)C1	217703117	NXMPBNOLQVPKCU-AHIWAGSCSA-N	297.845	4.826	70	10	CJIE	
CCCN[C@H](c1ccc(F)c(F)c1F)[C@H]1CCC[C@@H](C)C1	218012772	MKFMCOXENXWUKK-PEBVRCNWSA-N	299.380	4.971	70	10	CJIE	
CCCC[C@@H](CC)CO[C@H](CC)[C@@H](O)c1ccccc1	218556926	XUTYWQFUHCENTH-NXHRZFHOSA-N	278.436	4.732	70	10	CJIE	
CCNC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1cccc(Cl)c1	218760500	HSCDBIKDQZJYRR-XYPHTWIQSA-N	295.854	4.586	70	10	CJIE	
CC(C)(C)CCOc1ccc2ccccc2c1[B-](F)(F)F	312126136	XOSFHGMUOICPTC-UHFFFAOYSA-N	295.133	4.709	70	10	CJIE	
CSc1ccc(COCC(=C(C)C)[B-](F)(F)F)cc1	2318145131	ZTOXQPLDTUMXMI-UHFFFAOYSA-N	289.151	4.648	70	10	CJIE	
FC(F)c1cccc([C@H]2CCNC[C@@H]2C2CCCC2)c1	160104495	FEUBDNWGKZEHOS-HZPDHXFCSA-N	279.374	4.508	70	10	CJIE	
Cc1cccc(C[C@H](O)c2cc3ccc(F)cc3s2)c1	161263869	ZYIMCLWHFUVAKS-HNNXBMFYSA-N	286.371	4.625	70	10	CJIE	
c1ccc2c(c1)-c1ccccc1C2NCCCC1CC1	161480979	XLPFHMTVHGBACF-UHFFFAOYSA-N	263.384	4.536	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCCCCNC(C)(C)C	216879534	FGULFRJAMPOMHP-ULQDDVLXSA-N	283.500	4.632	70	10	CJIE	
CCCN[C@H]1CC[C@@H](CCC)C[C@@H]1Cc1ccc(F)cc1	217738496	COCBFGAWEBQTHX-SUMDDJOVSA-N	291.454	4.953	70	10	CJIE	
Cc1cc(Cl)c(N[C@@H]2C[C@@H]3CC=C[C@H]32)c2cccnc12	218041967	JKIYTSHSGDPISL-YWPYICTPSA-N	284.790	4.573	70	10	CJIE	
FC(F)(F)Sc1ccccc1N[C@@H]1C[C@@H]2CC=C[C@H]21	218047564	XIPJSJZVTSVMND-HOSYDEDBSA-N	285.334	4.675	70	10	CJIE	
Cc1cc([C@@H](C)N[C@H]2C[C@@H](C)CC(C)(C)C2)c(C)o1	218172556	ZZKMELDXAXXILB-KYOSRNDESA-N	263.425	4.762	70	10	CJIE	
CN[C@@H]1CCCCCCCCCC[C@H]1N1CCCC[C@@H]1C	218592742	KZWQTZOMVFEZNE-IPMKNSEASA-N	294.527	4.732	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@H]1c1cc(Cl)ccc1Br	1885275066	RIUNGLDZEONZMZ-XPUUQOCRSA-N	298.318	4.807	70	10	CJIE	
CC(C)=C(CN1CC[C@@]12CCCC(C)(C)C2)[B-](F)(F)F	2340325281	JIURLIATVZLZQC-OAHLLOKOSA-N	288.186	4.754	70	10	CJIE	
CCCNc1cc(Oc2cccc(C(C)C)c2)ccn1	159370624	BXNKJJVCSJHVBV-UHFFFAOYSA-N	270.376	4.819	70	10	CJIE	
Cc1cc([C@@H](O)c2cc3cccc(F)c3o2)ccc1Cl	159510709	VEQZGSKZYDFEEY-OAHLLOKOSA-N	290.721	4.615	70	10	CJIE	
CCN[C@H](c1cc(F)ccc1F)c1cccc(C)c1Cl	160296621	DHDHNNRNRCEREQ-INIZCTEOSA-N	295.760	4.626	70	10	CJIE	
CC(C)CCC(=O)c1ccc(Cl)c(Br)c1	160741748	NCDRJMRGFVLRBI-UHFFFAOYSA-N	289.600	4.721	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@H](N)[C@@H](Cc2ccc(F)cc2Cl)C1	217748547	MCAYWLSSLBNYHX-XEZPLFJOSA-N	297.845	4.811	70	10	CJIE	
O[C@@H]1c2ccccc2CCC[C@@H]1C/C=C\c1ccccc1	218280424	BGFAEQGQTATKOC-TVZRVCQQSA-N	278.395	4.776	70	10	CJIE	
Cc1cccc([C@H](CNC(C)C)O[C@H]2CCC[C@@H](C)C2)c1	218760247	FQJBRMXZNHLXFM-NEWSRXKRSA-N	289.463	4.629	70	10	CJIE	
CCCC1=PC([Si](C)(C)C)=C1[Si](C)(C)C	231530869	FRHZQFFCQWZMOJ-UHFFFAOYSA-N	256.478	4.928	70	10	CJIE	
CCC1([C@H](O)c2cccc(CC(C)C)c2)CCCC1	159840194	GKJRYFCMFFYQCK-QGZVFWFLSA-N	260.421	4.889	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](N)C1CCCCC1	160863570	FQJYADVGNXEBDB-GOSISDBHSA-N	253.389	4.728	70	10	CJIE	
O[C@@H](CC1=CCCCC1)Cc1nc(-c2ccccc2)cs1	161061710	LTPYDIFIBCJJES-INIZCTEOSA-N	299.439	4.604	70	10	CJIE	
Cc1ccc([C@H](C)Nc2ccc(C)c(N(C)C)c2)cc1C	161143340	YXSNYUFRVBJNES-INIZCTEOSA-N	282.431	4.851	70	10	CJIE	
CC(C)(C)c1ccccc1NC(=O)N/C=C/c1ccccc1	217641908	AHHRTBNEOOZMOB-BUHFOSPRSA-N	294.398	4.777	70	10	CJIE	
CCCN[C@@H](c1ccc(F)cc1F)[C@H]1CCC[C@@H](C)C1	218025340	GWBOBFTYAMAWNC-IIYDPXPESA-N	281.390	4.832	70	10	CJIE	
CO[C@@H]1CCCC[C@H]1N[C@H](c1ccc(Cl)cc1)C(C)C	218089377	OOAKEKOIFPQIPI-ZACQAIPSSA-N	295.854	4.584	70	10	CJIE	
CCN[C@@H]1CC[C@H](C(C)(C)CC)C[C@@H]1N(C)[C@@H](C)C(C)C	218638944	WAHSFUFBAINUSU-FJIDUMEYSA-N	296.543	4.546	70	10	CJIE	
CC(C)c1ccc(CN2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)cc1	2194161141	VJDBZHOSFUIHMB-JKSUJKDBSA-N	296.165	4.623	70	10	CJIE	
Cc1ccc(C(=O)C2C3CC4CC(C3)CC2C4)cc1C	160113478	UHRUUYDBXFJWEP-UHFFFAOYSA-N	268.400	4.558	70	10	CJIE	
CCc1ccc([C@H](NC)c2c(C)ccc3ccccc23)o1	160910139	RKUVEALRSAYTBJ-IBGZPJMESA-N	279.383	4.612	70	10	CJIE	
CC1(C)CCC(NCC2C3CC4CC(C3)CC2C4)CC1	217129929	HXNMTELVEYLSBR-UHFFFAOYSA-N	275.480	4.617	70	10	CJIE	
C[C@H](c1ccccc1)c1sc(N)nc1-c1ccccc1	217752771	OUKXJIZTAHQUPX-GFCCVEGCSA-N	280.396	4.544	70	10	CJIE	
CN[C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1CC1CCCC1	217752866	MLHPOVICYQLYGZ-XHSDSOJGSA-N	251.458	4.617	70	10	CJIE	
CC(C)Oc1ccc([C@@]2(O)C[C@H](C)CC[C@@H]2C(C)C)cc1	217863935	RMFATTUNDVVTEL-LZQZEXGQSA-N	290.447	4.754	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@@H](O)[C@@H](CCCc2ccccc2)C1	218304647	DAJCABRCKQJQLG-OKZBNKHCSA-N	274.448	4.833	70	10	CJIE	
Cc1nc(C2CCCCCC2)c(Br)s1	218637789	IDTGJBPIGZDGFZ-UHFFFAOYSA-N	274.227	4.652	70	10	CJIE	
CC(C)=C(CN(C)[C@H](C)C1(C)CCCC1)[B-](F)(F)F	2317858138	HSKDMNXVAPOSRZ-GFCCVEGCSA-N	276.175	4.610	70	10	CJIE	
C=C(COc1ccc2ccccc2c1Cl)[B-](F)(F)F	2327867102	NUFBCCURIHQPBE-UHFFFAOYSA-N	285.481	4.815	70	10	CJIE	
CO[C@@H](C)c1cccc(N[C@@H](C)c2ccccc2C)c1	159425121	KFOVAIQECGZJDY-GJZGRUSLSA-N	269.388	4.876	70	10	CJIE	
Cc1ccc(Cl)cc1[C@@H](O)c1ccccc1C1CCC1	160029523	RJNXINVUWAHYCE-SFHVURJKSA-N	286.802	4.998	70	10	CJIE	
CC[C@@H](c1ccccc1)[C@H](CC1CCCCC1)NC	161022691	DIGDEIDRPAKCOR-ROUUACIJSA-N	259.437	4.739	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)c1ccc2c(c1)CCO2	161444422	UKBQQFWUHGYTRG-GOSISDBHSA-N	285.431	4.553	70	10	CJIE	
CCC[C@@H]1CC[C@H](NC)[C@@H](Cc2c(F)cccc2Cl)C1	217703037	NXMPBNOLQVPKCU-XNJGSVPQSA-N	297.845	4.826	70	10	CJIE	
Cc1cc(C)c(NC(=O)N/C=C/C2CCCC2)c(Cl)c1	218612003	FMKJJFMPHVGPOM-BQYQJAHWSA-N	292.810	4.782	70	10	CJIE	
C=C(COc1ccc(CC)cc1C(C)(C)C)[B-](F)(F)F	234158369	GSWRMZURQYVARF-UHFFFAOYSA-N	285.138	4.868	70	10	CJIE	
C=C(CCOc1cccc2sccc12)[B-](F)(F)F	1999704538	ONKIEBANGWWPJG-UHFFFAOYSA-N	271.092	4.613	70	10	CJIE	
CC(C)=C(COc1cc(F)cc(Cl)c1)[B-](F)(F)F	2301861962	OWPQEUIRCCUXGT-UHFFFAOYSA-N	281.465	4.581	70	10	CJIE	
CC(C)CNC[C@@H](Cc1ccc(F)c(F)c1)C1CCCC1	160013899	NYHQLSWHBCGEPK-MRXNPFEDSA-N	295.417	4.559	70	10	CJIE	
COc1cc(N[C@H](c2ccccc2)C(C)C)ccc1F	160092905	OZEDCEMAFVNXDI-KRWDZBQOSA-N	273.351	4.644	70	10	CJIE	
CN[C@H](CC1CCCCC1)c1cc(F)c(Cl)cc1F	161019401	BFRYLKWYWXOJDU-OAHLLOKOSA-N	287.781	4.849	70	10	CJIE	
CC(C)Oc1ccc(NCc2coc3ccccc23)cc1	161069665	JONJRTNLJOZZMF-UHFFFAOYSA-N	281.355	4.832	70	10	CJIE	
O[C@@H](CC1=CCCCC1)Cc1cccc2ccccc12	161073220	NQRADUWWEKTIDF-SFHVURJKSA-N	266.384	4.634	70	10	CJIE	
Cc1cc(OC[C@H]2CCC[C@H](C)C2)c(C)c([B-](F)(F)F)c1	686553077	DGKYLCLEILXJFE-FZMZJTMJSA-N	299.165	4.563	70	10	CJIE	
Fc1ccc(-c2ccc(C=C[B-](F)(F)F)s2)cc1	1912969802	SDSFLLHMBSILLW-UHFFFAOYSA-N	271.067	4.954	70	10	CJIE	
C[C@@H]1CCC[C@H](CCN2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)C1	2265062318	XJKHDAOHEIPZDB-APIJFGDWSA-N	288.186	4.516	70	10	CJIE	
Cc1cc([C@H](O)c2cccc(C3CCC3)c2)c(F)cc1F	160170556	YYUSOYPSZMAQKH-GOSISDBHSA-N	288.337	4.622	70	10	CJIE	
CC1(C)CC[C@H](NCCCC2CC2)c2ccccc21	161406690	KZSQKPIPPACBSR-KRWDZBQOSA-N	257.421	4.579	70	10	CJIE	
CC(C)CNCc1oc2c(F)ccc(F)c2c1CC(C)C	161481256	CLJZURGQMUUVPZ-UHFFFAOYSA-N	295.373	4.655	70	10	CJIE	
C[C@H]1CCC[C@@H]([C@@H](N)c2ccc3ccccc3c2)C1	217945502	RHKJHBFTEBJJIT-FDQGKXFDSA-N	253.389	4.666	70	10	CJIE	
C[C@H]1CCC[C@H]([C@@H](N)Cc2ccc(Cl)c(Cl)c2)C1	217950688	HWJQGOYPWZERRV-WBIUFABUSA-N	286.246	4.690	70	10	CJIE	
C[C@H](CCN[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)c1ccccc1	218139245	UZAPHVZDYOVTIO-HGKSCXNLSA-N	285.475	4.985	70	10	CJIE	
Cc1cccc(CCN[C@H]2C[C@@H](C)CC[C@H]2C(C)C)c1	218182306	WKWZODHEENWIQZ-WDSOQIARSA-N	273.464	4.588	70	10	CJIE	
CCCCCC[C@@H](C)O[C@@H](c1ccccc1F)[C@@H](N)CC	218260350	WLALRODTTGJVNU-JLSDUUJJSA-N	295.442	4.980	70	10	CJIE	
CSc1cccc(NC(=O)N/C=C/C2CCCCC2)c1	218637166	LAAGZIOQBOZOGV-ZHACJKMWSA-N	290.432	4.624	70	10	CJIE	
CCCCCCCCC(=O)N1CCC([B-](F)(F)F)CC1	2231050822	XRMXRNIBULMLAH-UHFFFAOYSA-N	292.174	4.577	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@H]([C@@H]2C[C@@H]2c2ccccc2)C1	159645762	XRJVKPWCQIOHDK-SJQORLFUSA-N	271.448	4.581	70	10	CJIE	
Cc1ccc([C@H](O)c2cccc(CC(C)C)c2)cc1Cl	159858875	QPRGRNYFABYFHB-GOSISDBHSA-N	288.818	4.929	70	10	CJIE	
CCCN[C@H](C)c1c(F)cccc1N1CC[C@@H](CCC)C1	160391832	UEWRYNNAUNJNIZ-HUUCEWRRSA-N	292.442	4.513	70	10	CJIE	
CCc1ccc(C[C@@H](N)c2cc3ccccc3s2)s1	161163041	WIDWWCYSHSNZPX-CQSZACIVSA-N	287.453	4.768	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1ccc(C)cc1C	161332727	HVLANVXERSWMHB-GOSISDBHSA-N	257.421	4.845	70	10	CJIE	
CCOc1ccccc1[C@@H](C)N[C@H]1CCCC[C@@H]1CC	217849278	IAOOAGQMGZLAEM-VYDXJSESSA-N	275.436	4.705	70	10	CJIE	
CC[C@H](c1ccc(O)cc1)N1CCC[C@@H](C(C)C)CC1	217886186	KHUPVCZXHBDEIJ-CRAIPNDOSA-N	275.436	4.601	70	10	CJIE	
C[C@@H]1CCCC[C@@H]1CN[C@H](c1ccccc1)c1ccco1	218162195	VQYBEOYRIJLWOH-SZVBFZGTSA-N	283.415	4.785	70	10	CJIE	
Cc1ccc([C@@H](O[C@@H]2C[C@@H](C)CC(C)(C)C2)[C@H](C)N)cc1	218263879	KMVXNHKRBQJQJJ-ATLSCFEFSA-N	289.463	4.615	70	10	CJIE	
F[B-](F)(F)[C@H]1CCCN(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2225291194	XYMRZYCIZNIWCK-YJNKXOJESA-N	288.186	4.516	70	10	CJIE	
CCN[C@H](CC[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1	159531269	OABOUPRCCOJBJZ-VAMGGRTRSA-N	279.427	4.921	70	10	CJIE	
CC(C)(C)NCCC(C)(C)[C@H]1C[C@H]1c1ccccc1	159659937	AHTZYLZFZXWLHN-HOTGVXAUSA-N	259.437	4.595	70	10	CJIE	
Cc1cccc([C@H](C)NC2CCC(C(C)C)CC2)c1	160192567	DCQDLLGRAGBIDG-HJOIGYKYSA-N	259.437	4.860	70	10	CJIE	
CCN[C@H](c1c(C)ccc2ccccc12)C1CCC1	160926395	YRADLJFJEWZCPR-SFHVURJKSA-N	253.389	4.599	70	10	CJIE	
CC(C)(C)c1ccc(C[C@@H](N)c2cccc(F)c2F)cc1	161275752	FPUQYLMCOIEWSF-MRXNPFEDSA-N	289.369	4.505	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)C[C@H]1Cc2ccccc21	161337390	FKNWYTYJDWXPAE-QZTJIDSGSA-N	269.432	4.585	70	10	CJIE	
CCN[C@@H]1CC[C@@H](C(C)C)C[C@@H]1Cc1ccc(CC)cc1	217796719	QWSUNMIHDRUNHI-HSALFYBXSA-N	287.491	4.842	70	10	CJIE	
CN[C@@H](Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[C@@H](C)C1	217968864	NLRVDCCEPUMLAI-XPKDYRNWSA-N	299.380	4.662	70	10	CJIE	
CCN[C@@H](Cc1c(F)cccc1Cl)[C@H]1CCC[C@@H](C)C1	217984019	AFIKITJWLKORTK-IGCXYCKISA-N	297.845	4.826	70	10	CJIE	
Cc1ccc(N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1F	218072884	QOLOXDMHWGASGD-SRCQZFHVSA-N	261.384	4.761	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@H]1c1cc(Cl)sc1Cl	1882186176	SYHTWRSAIHTFJG-UCORVYFPSA-N	259.896	4.760	70	10	CJIE	
C[C@@H](c1cccs1)N(Cc1ccccc1)C[B-](F)(F)F	1915407216	MSJIBUYCNCUKKA-LBPRGKRZSA-N	298.162	4.698	70	10	CJIE	
C=C(CCSCC(C)(C)C(C)C)[B-](F)(F)F	1959654956	MBFGTHYIARSFBN-UHFFFAOYSA-N	253.162	4.735	70	10	CJIE	
Cc1cc(OCC2(C(C)C)CCC2)c(C)c([B-](F)(F)F)c1	2191984513	QTCWEEUXYFPGPL-UHFFFAOYSA-N	299.165	4.563	70	10	CJIE	
Cc1ccc([C@H](N)Cc2ccc(C(C)(C)C)cc2)cc1C	161253409	JUOOWSKSRPQESP-LJQANCHMSA-N	281.443	4.843	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)C)C[C@@H]1Cc1ccc(Cl)cc1	217792564	NIRVGPTWTHFOBF-HLLBOEOZSA-N	279.855	4.543	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@]1(CO)Nc1cccc(Cl)c1	218115764	APXXTIXLIFLDSF-XKQJLSEDSA-N	295.854	4.575	70	10	CJIE	
CC[C@H]1CCCC[C@H]1N[C@H](c1ccc(F)cc1)C1CC1	218154806	UWRUXTPOUJWULH-VHSSKADRSA-N	275.411	4.835	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](c2cc(F)ccc2Cl)C1	218519543	LDPCOUJTCAHDDD-BZPMIXESSA-N	283.818	4.738	70	10	CJIE	
CCN[C@H](CO[C@H]1CCCC[C@@H]1CC)c1ccccc1C	218781761	ZNFAIDXZFWAIEC-UHOSZYNNSA-N	289.463	4.631	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1[C@H]1CCC[C@@H](C(F)(F)F)C1	1984461781	HJGREMQCVMWWOU-JQCXWYLXSA-N	259.022	4.593	70	10	CJIE	
C[C@]1([B-](F)(F)F)CCN(CC[C@@H]2CCCCC23CC3)C1	2342543000	DRPAYXBOMCWNQP-KBPBESRZSA-N	288.186	4.660	70	10	CJIE	
CCN[C@H](CSCc1ccccc1C)C1CCCCC1	159374966	OAUVNAZRPFCXCB-GOSISDBHSA-N	291.504	4.787	70	10	CJIE	
CCCCC1CCC([C@@H](O)c2cccc3c2OCC3)CC1	160144429	SNLKSPMOYZJOLE-JTTJXQCZSA-N	288.431	4.652	70	10	CJIE	
CCCOc1ccc(NCc2ccc(Cl)cc2F)cc1	160810323	NJOZZBKOAVQVCO-UHFFFAOYSA-N	293.769	4.880	70	10	CJIE	
Cc1ccc(NCc2ccc(C(C)C)cc2)cc1N(C)C	161147729	YSBMYDUFVCCJMP-UHFFFAOYSA-N	282.431	4.797	70	10	CJIE	
CCc1ccc([C@@H](Cc2ccc(C(C)(C)C)cc2)NC)o1	161290803	FNDPUSOTJOPUCQ-QGZVFWFLSA-N	285.431	4.643	70	10	CJIE	
CC[C@H]1CC[C@@H](O)[C@@H](Cc2ccc(C(C)C)cc2)C1	218284710	VKVXZTXENCKSMU-BMGDILEWSA-N	260.421	4.540	70	10	CJIE	
CCNC[C@H](Cc1ccc(C(F)(F)F)cc1)C1CCCC1	159934153	LYAJLOKGEWHEPD-HNNXBMFYSA-N	299.380	4.664	70	10	CJIE	
CSc1ccccc1[C@H](O)c1c(C)ccc2ccccc12	160993874	AVCVGXPHVDFTJI-IBGZPJMESA-N	294.419	4.952	70	10	CJIE	
Cc1ccc([C@H](C)Nc2cccc(N(C)C)c2)cc1C	161061054	HOQKCCZKTSNYFU-HNNXBMFYSA-N	268.404	4.543	70	10	CJIE	
CC(C)C1CCC(N[C@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)CC1	217576465	KLCBOCPAZCAPIZ-JXWUYFQHSA-N	275.480	4.616	70	10	CJIE	
CCC[C@H]1CC[C@H](NCC)[C@@H](Cc2cccc(C)c2)C1	217728951	GSNQSEQHCVBDFI-UHOSZYNNSA-N	273.464	4.732	70	10	CJIE	
CCCCN([C@@H](C)CC)[C@H](c1ccccc1C)[C@@H](N)CC	217831656	UKAXZQQMQVZECS-YTQUADARSA-N	290.495	4.674	70	10	CJIE	
CCCOc1ccc(Cl)cc1N[C@@H]1C[C@H]2CC=C[C@H]21	218102842	WFOQGIAEKISFMN-MRVWCRGKSA-N	277.795	4.505	70	10	CJIE	
CCC1(CC)C[C@@H](N[C@@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CCO1	218645495	VQDPFHBSAYNCIH-CUSZFKRNSA-N	293.495	4.529	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NCC)[C@@H](Cc2cc(F)cc(F)c2)C1	218648836	QVFJWDDHOIRZBA-DDUZABMNSA-N	295.417	4.702	70	10	CJIE	
Fc1ccc(/C=C/[B-](F)(F)F)c(Cl)c1Cl	306841677	ARPNGQQBUVVOTG-ONEGZZNKSA-N	257.830	4.532	70	10	CJIE	
Cc1cc(OCC2C[C@@H](C)C[C@H](C)C2)ccc1[B-](F)(F)F	2149170471	NSDNNOSOHFQHFN-RYUDHWBXSA-N	299.165	4.501	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1O[C@H]1CCC[C@H](CC)C1	2197460484	AHDLAEZVMJOEBS-WFASDCNBSA-N	299.165	4.651	70	10	CJIE	
c1ccc2c([C@@H]3CCNC[C@H]3C3CCCC3)csc2c1	160112048	KTHJAYHUCUXYBU-ZBFHGGJFSA-N	285.456	4.785	70	10	CJIE	
COc1cc(N[C@@H](C)c2ccc(C)cc2C)ccc1F	160114558	SZPBRCOYTROWOQ-ZDUSSCGKSA-N	273.351	4.624	70	10	CJIE	
CCCCOCCCN[C@@H](C)c1ccc(C(C)C)cc1	160239606	ZEZQXAQVBANXBI-INIZCTEOSA-N	277.452	4.667	70	10	CJIE	
CCN[C@H](c1cccs1)c1c(C)ccc2ccccc12	160920901	SOCPVDUXAOGXAD-GOSISDBHSA-N	281.424	4.909	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)s1)[C@@H]1C[C@@H]1c1ccccc1	161235181	AKINGTXVCBILOV-GUDVDZBRSA-N	299.483	4.635	70	10	CJIE	
Cc1ccccc1C[C@@H](O)c1cc2ccc(F)cc2s1	161262974	TWSSZJMEOXRUSL-OAHLLOKOSA-N	286.371	4.625	70	10	CJIE	
CCN[C@H](Cc1ccccc1Cl)[C@H]1CCC[C@@H](C)C1	218001369	SJXLIFRELMUTLZ-UKPHBRMFSA-N	279.855	4.687	70	10	CJIE	
CCCN[C@@H](CCOc1ccccc1)[C@H]1CCC[C@@H](C)C1	218023252	RDOPZXTUSOGROQ-AOIWGVFYSA-N	289.463	4.650	70	10	CJIE	
CC[C@@H]1CCCC[C@H]1OC[C@@H](NC)c1ccc(C)c(C)c1	218782612	GXNZYEAKPLBCOM-BHIYHBOVSA-N	289.463	4.549	70	10	CJIE	
C=C(CCSc1nc2ccccc2s1)[B-](F)(F)F	1999699167	CMJCECJANUFMHF-UHFFFAOYSA-N	288.148	4.721	70	10	CJIE	
CC1(C)Cc2ccc(Cl)cc2[C@H]1NCCCC1CC1	161506128	COYQIPPMOCKXEV-MRXNPFEDSA-N	277.839	4.743	70	10	CJIE	
CN[C@H]1CC[C@H](C(C)(C)C)C[C@@H]1CC1CCCC1	217752681	MLHPOVICYQLYGZ-JYJNAYRXSA-N	251.458	4.617	70	10	CJIE	
CCN[C@H](Cc1c(F)cccc1Cl)[C@H]1CCC[C@@H](C)C1	217984089	AFIKITJWLKORTK-IIYDPXPESA-N	297.845	4.826	70	10	CJIE	
C[C@@H](CCNC[C@@H]1CCCC[C@@H]1C)c1ccccc1	218149946	IOMNZZKSWLPBCR-BQFCYCMXSA-N	259.437	4.596	70	10	CJIE	
CCC[C@@H]1CC[C@@H](O)[C@H](O[C@@H]2C[C@@H](C)CC(C)(C)C2)C1	218553773	ORLNILKQNYLEOP-WRQOLXDDSA-N	282.468	4.548	70	10	CJIE	
CCN[C@H]1CC[C@H](C(C)(C)CC)C[C@@H]1N(CC)[C@@H](C)CC	218630210	YAEMKCZIKOFYEB-XSLAGTTESA-N	296.543	4.690	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1c1c(Cl)cccc1Br	1885274440	LPPGPFBCVJJJEN-NTSWFWBYSA-N	298.318	4.807	70	10	CJIE	
Cc1sc(C)c([C@H]2C[C@H]2[B-](F)(F)F)c1Br	1885275554	VVWUQHKHVVYDAI-NKWVEPMBSA-N	297.956	4.832	70	10	CJIE	
CC[C@](C)(CNC(C)(C)C)[C@H]1C[C@@H]1c1ccccc1	159431222	RFOMBEPYFWDYAD-SOLBZPMBSA-N	259.437	4.595	70	10	CJIE	
CCNCc1sc(-c2coc3ccccc23)nc1C1CC1	159467537	DHYOTOCDOJCQBD-UHFFFAOYSA-N	298.411	4.543	70	10	CJIE	
Cc1cc(C)cc(C[C@H](CNC(C)C)C2CCCC2)c1	159968860	BNVHCPNLYKRHMT-LJQANCHMSA-N	273.464	4.650	70	10	CJIE	
CCCNCc1cc(F)ccc1Oc1ccc(F)cc1C	160602223	SYNSSGDHGGOGGO-UHFFFAOYSA-N	291.341	4.565	70	10	CJIE	
Cc1ccc(C(C)(C)C)c2oc(CN)c(C(C)(C)C)c12	161190851	ZZLWQLVVMSCYMV-UHFFFAOYSA-N	273.420	4.795	70	10	CJIE	
Cc1cccc(NCCO[C@H]2C[C@@H](C)CC[C@H]2C(C)C)c1	217892754	JCHAIXLMEJOWDN-WDSOQIARSA-N	289.463	4.884	70	10	CJIE	
CCCc1ccc([C@H](NC)[C@H]2CCC[C@@H](C)C2)cc1	217970502	UTVGHEKZWXPFHZ-JLSDUUJJSA-N	259.437	4.726	70	10	CJIE	
C[C@H]1CCC[C@@H]1N[C@H](C)c1cc(F)c(Cl)cc1Cl	218208029	TZNADPDZUJBAPP-QIBSRJKCSA-N	290.209	4.972	70	10	CJIE	
CC[C@@H]1CCCC[C@H]1O[C@H](c1cccc(Cl)c1)[C@@H](C)N	218243423	WTWHCHVRCZWDPJ-KFZJALRRSA-N	295.854	4.714	70	10	CJIE	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC1CCCCCCC1)C2	218518388	CXTSRAGTLKPBTP-ZVZYQTTQSA-N	263.469	4.904	70	10	CJIE	
F[B-](F)(F)C=Cc1ccc(Cl)c(Br)c1	1911792089	JFNMBCVSRXBGEX-UHFFFAOYSA-N	284.291	4.502	70	10	CJIE	
CCCC[C@@H](CC)CN1CCC[C@H]([B-](F)(F)F)C1	2016103253	LOTKFPQDLMBGEH-OLZOCXBDSA-N	264.164	4.516	70	10	CJIE	
F[B-](F)(F)[C@H]1CCCN(Cc2ccc(C3CCC3)cc2)C1	2240359042	ZUYXQFJCTWKVHH-INIZCTEOSA-N	296.165	4.768	70	10	CJIE	
CCNCc1ccccc1-c1c(C)ccc2ccccc12	160961154	QSJOWIROAAAANR-UHFFFAOYSA-N	275.395	4.925	70	10	CJIE	
Cc1ccc(C[C@H](O)c2cc3ccc(F)cc3s2)cc1	161263131	PJYSUWWRVMZPDO-HNNXBMFYSA-N	286.371	4.625	70	10	CJIE	
CCCCCC[C@H](N)Cc1ccc(C(C)(C)C)cc1	161274599	NNSAWWAPGYGBAW-KRWDZBQOSA-N	261.453	4.824	70	10	CJIE	
CCNCc1oc2c(C(C)(C)C)cccc2c1C1CC1	161383494	RUAWQGDPGFBNIJ-UHFFFAOYSA-N	271.404	4.717	70	10	CJIE	
CC(C)(C)C[C@H](NCCCC1CC1)c1ccccc1	161427403	CEVCVPVWSLAPHL-KRWDZBQOSA-N	259.437	4.944	70	10	CJIE	
CCCN[C@H](c1ccc(CC)cc1)[C@H]1CCCCS1	161449496	KWKAMWXYCQENCJ-IAGOWNOFSA-N	277.477	4.575	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)C)C[C@@H]1Cc1cc(C)ccc1C	217785918	PNSYEZRNSFEOET-QXAKKESOSA-N	273.464	4.506	70	10	CJIE	
CCN[C@@H](c1ccccc1OCC)[C@@H]1CCC[C@@H](C)C1	217976325	GRYSCNXZPUQCEF-IIDMSEBBSA-N	275.436	4.562	70	10	CJIE	
CCN[C@H](Cc1c(F)cccc1Cl)[C@@H]1CCC[C@@H](C)C1	217983927	AFIKITJWLKORTK-PBFPGSCMSA-N	297.845	4.826	70	10	CJIE	
Cc1cccc([C@@H](N)c2c(C)ccc3ccccc23)c1C	160843666	FNUZEIQPTGMCFR-HXUWFJFHSA-N	275.395	4.813	70	10	CJIE	
Cc1cc(CN)ccc1-c1c(C)ccc2ccccc12	160962095	AUGYXFDIVMMNPS-UHFFFAOYSA-N	261.368	4.582	70	10	CJIE	
CC(C)(C)c1ccc([C@@H](O)CC2=CCCCC2)cc1	161054821	BHPQHHZFKSUXNW-KRWDZBQOSA-N	258.405	4.908	70	10	CJIE	
Cc1ccc([C@H](N)Cc2ccc(C(C)(C)C)cc2)c(F)c1	161270933	GJRNMOKSXDHQNS-GOSISDBHSA-N	285.406	4.674	70	10	CJIE	
CCCCN([C@H](C)CC)[C@H](c1ccc(Cl)cc1)[C@@H](C)N	217830226	JKYWWKWLQILWMR-CPUCHLNUSA-N	296.886	4.629	70	10	CJIE	
C[C@H]1CCCC[C@@H]1CN[C@H](C)c1ccccc1OC(F)F	218159619	OQMOJADAKAYSAA-BFHYXJOUSA-N	297.389	4.765	70	10	CJIE	
Cc1ccc([C@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)c(C)c1	218553070	OCNOTOTZUITGHB-UWWQBHOKSA-N	290.447	4.568	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	1885274458	LXTYCVOASHXPOQ-NKWVEPMBSA-N	253.867	4.698	70	10	CJIE	
CN[C@@H](CC1CCCCC1)c1ccc(C(F)(F)F)cc1	160993905	DWXDYTJNAQUGCC-HNNXBMFYSA-N	285.353	4.936	70	10	CJIE	
CCCNCc1oc2ccc(OCCC)cc2c1CCC	161323091	KSZOPXIPOPTWII-UHFFFAOYSA-N	289.419	4.674	70	10	CJIE	
CO[C@@H](C(=O)c1ccc(C(C)C)cc1)C1CCCCC1	161425606	NZQULFLQLGFNQI-GOSISDBHSA-N	274.404	4.588	70	10	CJIE	
C1=C(C2(CNC3CC3)CC3(CCCCC3)C2)CCCC1	161460674	TULZFWQKRQBZBV-UHFFFAOYSA-N	273.464	4.970	70	10	CJIE	
Fc1cc(N[C@@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)ccc1Cl	217961299	CTWDGYDSGMSAEM-GJXHKJHSSA-N	279.786	4.716	70	10	CJIE	
CC[C@@H](C)Oc1cccc(N[C@H]2CCC[C@@H](C)C2)c1	218183221	FNCLOJKKUOIFKE-KFWWJZLASA-N	261.409	4.855	70	10	CJIE	
Cc1ccc([C@H](O)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)c(C)c1	218553156	OCNOTOTZUITGHB-QGPMSJSTSA-N	290.447	4.568	70	10	CJIE	
CCCN[C@H]1CCCC[C@H]1O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	218748711	FRZXOEXCMBDXQF-ZWJWXYIHSA-N	295.511	4.775	70	10	CJIE	
CC(C)=C(CN(C)C[C@@]12CCCC[C@@H]1CC2)[B-](F)(F)F	2340151281	AOPUCKBODZOKIR-HIFRSBDPSA-N	288.186	4.612	70	10	CJIE	
CCN[C@@H](C)c1ccccc1Oc1ccc(F)cc1C	160585095	XXPPWIMABXORHM-ZDUSSCGKSA-N	273.351	4.597	70	10	CJIE	
CC[C@@H](C)c1cccc2c(C(C)(C)C)c(CN)oc12	161375481	ZJLIWNDIFOGIEV-LLVKDONJSA-N	259.393	4.703	70	10	CJIE	
C1=C[C@@H]2[C@H](C1)C[C@H]2Nc1ccccc1-c1ccccc1	217804778	HSMIIEKTIJQAOW-SZVBFZGTSA-N	261.368	4.730	70	10	CJIE	
FC(F)(F)c1cc(Cl)ccc1N[C@@H]1C[C@H]2CC=C[C@H]21	217828428	HNIZDSNPVGPWKT-ZDSQKVDBSA-N	287.712	4.735	70	10	CJIE	
C[C@H]1CCC[C@H]([C@@H](N)c2ccc3ccccc3c2)C1	217945330	RHKJHBFTEBJJIT-QANKJYHBSA-N	253.389	4.666	70	10	CJIE	
CCCCCCCOc1ccc([B-](F)(F)F)cc1CC	1890651319	OUUNRCYUARJTOP-UHFFFAOYSA-N	287.154	4.653	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(O[C@@H]2CCC3(CCCC3)C2)c1	2155212091	SQXIKEUMMRTBBI-CYBMUJFWSA-N	297.149	4.541	70	10	CJIE	
CC(C)=C(CSc1ccc2c(c1)CCC2)[B-](F)(F)F	2317856433	IVWLGLDUOSGOLA-UHFFFAOYSA-N	285.163	4.990	70	10	CJIE	
CCCCC[C@@H](NCC)c1cccc(OC(F)F)c1	159651045	GEIUCHCIFRSXJR-CQSZACIVSA-N	271.351	4.519	70	10	CJIE	
CCNc1nc(-c2cccc(C)c2Cl)nc2ccccc12	160461944	FNFJSXSZLFXHHB-UHFFFAOYSA-N	297.789	4.690	70	10	CJIE	
CCCc1cccc(C(=O)C2(OCC)CCCCC2)c1	160819800	OBNWEKFRWIIPNA-UHFFFAOYSA-N	274.404	4.561	70	10	CJIE	
CC(C)(C)c1ccc(C[C@@H](N)C2C(C)(C)C2(C)C)cc1	161276726	JPBHCLLHBAWXFW-OAHLLOKOSA-N	273.464	4.536	70	10	CJIE	
CCCc1ccc([C@H](NCC)[C@@H]2CCCCS2)cc1	161361385	DSNZVNWLTWEKED-IRXDYDNUSA-N	277.477	4.575	70	10	CJIE	
CO[C@H](C(=O)c1cccc(CC(C)C)c1)C1CCCCC1	161373791	HZGDBAHFOMDIFR-IBGZPJMESA-N	288.431	4.663	70	10	CJIE	
C[C@H]1C[C@@H]1c1ccc(CN[C@H](c2ccccc2)C2CC2)o1	217735916	UZVSHJBURDSXKD-SOVGHPHASA-N	281.399	4.644	70	10	CJIE	
Cc1ccc(N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c(C)c1O	218076385	XEARSJMLQGHUCX-JCKWVBRZSA-N	273.420	4.636	70	10	CJIE	
Cc1ccc(OC[C@H](C)N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1	218124459	ZGRBOJXORGDJEG-IXDOHACOSA-N	289.463	4.567	70	10	CJIE	
CCc1cccc(CC)c1NC(=O)N/C=C/C1CCCC1	218590441	KINLSNOLPBRYQJ-OUKQBFOZSA-N	286.419	4.637	70	10	CJIE	
C[C@H]1CC[C@H](CN)[C@@H](Cc2ccc(Cl)cc2Cl)C1	218593266	SBPKYHNBWOGZMR-CYZMBNFOSA-N	286.246	4.547	70	10	CJIE	
CCC1CCC(CN2CC[C@H]3C[C@]3([B-](F)(F)F)C2)CC1	1879766510	FRHKDTOPBZGMTH-WUCCLRPBSA-N	288.186	4.516	70	10	CJIE	
Cc1cc([C@@H]2C[C@@H]2[B-](F)(F)F)sc1Br	1884017850	NEQFXWOGZGENNJ-RITPCOANSA-N	283.929	4.524	70	10	CJIE	
CC(C)[C@@H]1CCC[C@](O)(c2cccc3[nH]ccc23)CC1	159451932	CTNFGHQHNODJMW-RDTXWAMCSA-N	271.404	4.592	70	10	CJIE	
CC(C)(C)NCCC(C)(C)[C@@H]1C[C@H]1c1ccccc1	159659788	AHTZYLZFZXWLHN-JKSUJKDBSA-N	259.437	4.595	70	10	CJIE	
CCN[C@H](CCC1CCCC1)Cc1ccc(F)cc1Cl	160578667	FFNJSVMMHNQTIU-MRXNPFEDSA-N	297.845	4.970	70	10	CJIE	
CN[C@H](Cc1ccc(F)cc1Cl)C[C@@H](C)C(C)(C)C	160617175	WDZBVBRBRDULQL-RISCZKNCSA-N	285.834	4.682	70	10	CJIE	
Cc1ccc(F)c(NCc2ccc(Cl)cc2F)c1F	160876476	TZPKHYXEGBTHKD-UHFFFAOYSA-N	285.696	4.678	70	10	CJIE	
CCCc1cccc([C@@H](CC2=CCCCC2)NC)c1	161256257	PVTHTAHQRLECDM-GOSISDBHSA-N	257.421	4.790	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)[C@@H]1CCOC2(CCC2)C1	161381495	AFGWWJZNWYJOQU-QZTJIDSGSA-N	291.479	4.594	70	10	CJIE	
Cc1cccc(-c2c(N)noc2C2CCC(F)(F)CC2)c1	216732921	POQCMFIQDZQITQ-UHFFFAOYSA-N	292.329	4.525	70	10	CJIE	
CCCCCN(C(C)C)[C@@H](c1sccc1C)[C@@H](N)CC	217825061	JAVUCBLXUFTISN-JKSUJKDBSA-N	296.524	4.736	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC1[C@@H](C)CCC[C@@H]1C	217866840	COTNLVDHJLHXHZ-XAJHFOFHSA-N	265.485	4.862	70	10	CJIE	
CCN[C@@H](c1cc(Cl)ccc1OC)[C@@H]1CCC[C@@H](C)C1	217977914	DHLXFIRMVIPPRQ-PBFPGSCMSA-N	295.854	4.826	70	10	CJIE	
CC[C@H](N[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)c1ccc(F)cc1	218021265	DXOFBYSGMLIFIM-OHWFHFMLSA-N	287.422	4.691	70	10	CJIE	
CCCN[C@@H]1CC[C@H](CCC)C[C@@H]1N(CC)C1CCCC1	218637004	YUKWCRNJCCYZHM-UHOSZYNNSA-N	294.527	4.588	70	10	CJIE	
Cc1ccccc1[C@@H](CNC(C)C)O[C@H]1CCC[C@@H](C)C1	218759858	KUFLQRWDJXJVNW-HHXXYDBFSA-N	289.463	4.629	70	10	CJIE	
CC(C)=C(COc1cccc2ccccc12)[B-](F)(F)F	2340333169	CPVKAVGXLJYYMM-UHFFFAOYSA-N	279.090	4.942	70	10	CJIE	
O=C(CCCCl)c1ccc(C2CCCC2)cc1	34153753	JIERVGXLZOTOTQ-UHFFFAOYSA-N	250.769	4.546	70	10	CJIE	
CCCCC[C@H](NCCC)[C@H]1C[C@@H]1c1ccccc1	159630403	GKSOPENYSUEUPB-SQNIBIBYSA-N	259.437	4.739	70	10	CJIE	
CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NCc1ccc(Cl)cc1F	160831604	UEJBHANYWZBJNF-XGWLTEMNSA-N	295.829	4.784	70	10	CJIE	
CC[C@H]1CCC[C@H](C(=O)C2(OC)CCC(C)(C)CC2)C1	161293813	SVEMDNUALBEMSI-GJZGRUSLSA-N	280.452	4.757	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1NCc1cc(F)c(F)c(F)c1	217518998	HTHOTMJAIYCOIE-RBOXIYTFSA-N	299.380	4.654	70	10	CJIE	
Cc1ccc(N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c(C)c1	218050371	BORKKAONKPIXBP-QGPMSJSTSA-N	257.421	4.930	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1N[C@H](c1ccc(F)cc1)C1CC1	218154639	UWRUXTPOUJWULH-KKXDTOCCSA-N	275.411	4.835	70	10	CJIE	
CNC[C@@H]1CC[C@@H](C(C)C)C[C@@H]1Cc1cc(F)ccc1C	218342689	KDRZVDKXMFAXQG-SOLBZPMBSA-N	291.454	4.585	70	10	CJIE	
Cc1cc(OCCCC(C)(C)C)c(C)c([B-](F)(F)F)c1	686550313	VJGNHQWGYHPPEL-UHFFFAOYSA-N	287.154	4.563	70	10	CJIE	
CCCC[C@@H](CC)CSc1nc([B-](F)(F)F)cs1	2253018322	XVATYNQQGYBCOD-SECBINFHSA-N	296.212	4.506	70	10	CJIE	
CC1CCC(C(=O)c2cn(C)c3cc(Cl)ccc23)CC1	159625256	DBGRJOSNMCXKNN-UHFFFAOYSA-N	289.806	4.841	70	10	CJIE	
Cc1cc(F)ccc1C[C@H](O)c1cc(Cl)ccc1Cl	159868938	BMAHCPIZKYDRRE-HNNXBMFYSA-N	299.172	4.717	70	10	CJIE	
CCOC(CC)(CC)C(=O)c1ccc(C(C)C)cc1	160681948	JFQXJOKPJLXMLX-UHFFFAOYSA-N	262.393	4.588	70	10	CJIE	
Cc1ccc(N[C@@H]2CCCC(C)(C)CC2)cc1N(C)C	161162161	BGLOXTZHKUXJDC-OAHLLOKOSA-N	274.452	4.832	70	10	CJIE	
Cc1ccc(N[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)cc1N(C)C	161198030	VGGPZZGVOQRHEW-UCLAIMLFSA-N	286.463	4.688	70	10	CJIE	
CC(C)c1cccc(C(C)C)c1OC[B-](F)(F)F	203446180	QVXQCVJFXDGRID-UHFFFAOYSA-N	259.100	4.699	70	10	CJIE	
C[C@@H](O)c1ccc(N2CCC[C@@H]3CCCC[C@H]32)c(Cl)c1	217516640	MUQMTJKBYLRGHZ-DVOMOZLQSA-N	293.838	4.552	70	10	CJIE	
CC[C@@H](C[C@H](C)CC)N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218015989	YEGDCJSASIQRJK-FHXWZAGWSA-N	263.469	4.616	70	10	CJIE	
Cc1cccc([C@@H](O[C@@H]2C[C@@H](C)CC(C)(C)C2)[C@H](C)N)c1	218264620	LPYHUSZHHDCHNB-ATLSCFEFSA-N	289.463	4.615	70	10	CJIE	
CCCOc1ccc([C@H]2C[C@H](CCC)CC[C@@H]2CN)cc1	218750733	FPADSQZTWKBSPS-SZVBFZGTSA-N	289.463	4.734	70	10	CJIE	
CCN[C@@H]1CC[C@H](CC)C[C@@H]1Oc1ccc(C(C)C)cc1	218766107	OMQPQDZSBSPDQJ-IPELMVKDSA-N	289.463	4.746	70	10	CJIE	
CCN[C@@H]1CCCCC[C@@H]1Oc1ccccc1[C@@H](C)CC	218777809	FEJYHNDINUDYPJ-WDYCEAGBSA-N	289.463	4.890	70	10	CJIE	
CC(C)=C(CN(C)C[C@H](F)C1CCCCC1)[B-](F)(F)F	2340329952	ZYULHCHITPQZEV-AWEZNQCLSA-N	294.165	4.560	70	10	CJIE	
C[C@@H](N[C@@H]1CCC[C@@H](C2CC2)C1)c1ccc(Cl)cc1	159963347	CMJGCLIJMHELFZ-SRCQZFHVSA-N	277.839	4.959	70	10	CJIE	
CC[C@H]1Nc2cccc(Cl)c2O[C@@H]1c1ccccc1	160544129	HIVKHRYWKINMSK-UKRRQHHQSA-N	273.763	4.664	70	10	CJIE	
CCCN[C@H](C)c1ccccc1Oc1ccc(F)cc1C	160582506	ZYXCYGDMGIBKRR-CQSZACIVSA-N	287.378	4.987	70	10	CJIE	
Cc1ccc([C@H](N)c2c(C)ccc3ccccc23)c(C)c1	160874207	DVLAYBFYUFCTSI-FQEVSTJZSA-N	275.395	4.813	70	10	CJIE	
Cc1cc(C)c2c(CC(C)C)c(CNC3CC3)oc2c1	161164675	ZHWVGEAEBRXOMV-UHFFFAOYSA-N	271.404	4.500	70	10	CJIE	
CNCc1oc2c(C(C)C)ccc(C)c2c1C(C)(C)C	161408472	LROBEDBXGJTSEJ-UHFFFAOYSA-N	273.420	4.882	70	10	CJIE	
CC(C)NCc1oc2c(Cl)cc(F)cc2c1C1CC1	161440097	IAIJLLCRPNTOAC-UHFFFAOYSA-N	281.758	4.601	70	10	CJIE	
Cc1sc(C)c([C@H]2C[C@@H]2[B-](F)(F)F)c1Br	1885275553	VVWUQHKHVVYDAI-BQBZGAKWSA-N	297.956	4.832	70	10	CJIE	
CC(C)(C)c1ccc([C@H](O)c2cccc3[nH]ccc23)s1	159457726	OGEYXYYOTQYBCH-MRXNPFEDSA-N	285.412	4.609	70	10	CJIE	
CC[C@H](C)c1nc(CC(C)C)c(CNC(C)(C)C)s1	159972110	VZUPDKZUIBYFII-LBPRGKRZSA-N	282.497	4.743	70	10	CJIE	
C[C@H]1Nc2cccc(Cl)c2O[C@@H]1c1ccc(Cl)cc1	160542337	JALULOOXHUFGPS-OTYXRUKQSA-N	294.181	4.928	70	10	CJIE	
CO[C@]1(C(=O)c2ccc(C(C)C)cc2)CCC[C@@H](C)C1	161114315	RPMWUEKWFRGLEW-RDTXWAMCSA-N	274.404	4.588	70	10	CJIE	
Cc1ccc(N[C@H](c2cccs2)C2CC2)cc1N(C)C	161151906	MJKSYJLRWCYRGC-KRWDZBQOSA-N	286.444	4.686	70	10	CJIE	
Cc1ccc(N[C@@H]2CCC(C)(C)C[C@@H]2C)cc1N(C)C	161235136	KHZIVMRYMGTSAJ-GOEBONIOSA-N	274.452	4.688	70	10	CJIE	
CCCCC1CCC([C@H](NN)C2C[C@H](C)C[C@@H](C)C2)CC1	217316827	IYOFFNMVINRQSN-HYLOQDLHSA-N	294.527	4.887	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCc1cc(F)c(F)c(F)c1	217518900	HTHOTMJAIYCOIE-KFNAQCHYSA-N	299.380	4.654	70	10	CJIE	
CC(C)c1ccc(NC(=O)N/C=C/c2ccccc2F)cc1	217748631	FNAPCMQLYDGOCE-VAWYXSNFSA-N	298.361	4.742	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)C)C[C@@H]1Cc1ccc(F)cc1Cl	217793699	IEYWFRVBRQUEIR-DXCKQFNASA-N	297.845	4.682	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCc1cc2c(s1)CCC2	218126272	OMXUFPTWEFHFEC-COXVUDFISA-N	291.504	4.787	70	10	CJIE	
CCCCCCCCOc1cc(C)ccc1[B-](F)(F)F	699768629	OUUZWVSXGLVTQJ-UHFFFAOYSA-N	287.154	4.789	70	10	CJIE	
CC1(C)CCC(CN2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)CC1	1879767795	OBSPHHXXYCPPGQ-HIFRSBDPSA-N	288.186	4.516	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	1885275482	VHHPRDVUSXBNAS-IUCAKERBSA-N	253.867	4.698	70	10	CJIE	
Cc1cc(OCCCCC[C@@H]2C[C@@H]2C)ccc1[B-](F)(F)F	2284872915	YBJHNRNNUDQOMW-GXTWGEPZSA-N	299.165	4.645	70	10	CJIE	
CC(C)=C(CN(C)C[C@@H]1CC[C@@H]1C(C)(C)C)[B-](F)(F)F	2343226054	GMBMQTZJZQSTQS-STQMWFEESA-N	290.202	4.714	70	10	CJIE	
CCC[C@@H]1CCN([C@@H]2CCCCCCCCCC[C@@H]2N)C1	159402779	KKYYLLDXEXKFLI-CEXWTWQISA-N	294.527	4.719	70	10	CJIE	
O[C@@H](c1ccc2c(c1)CCC2)c1ccccc1C1CCC1	160004292	WPRHDESLLBKMKX-FQEVSTJZSA-N	278.395	4.525	70	10	CJIE	
CC(C)CC1([C@H](O)[C@H]2C[C@@H]2c2ccccc2)CCCC1	160062074	YYPAZHUHBDKRBA-FGTMMUONSA-N	272.432	4.758	70	10	CJIE	
CCCN[C@H](C)c1ccccc1N1CC[C@H](C(C)(C)C)C1	160321033	JPEKXCGNORDRDV-CVEARBPZSA-N	288.479	4.620	70	10	CJIE	
CCc1ccc([C@@H]2Oc3cc(Cl)ccc3N[C@H]2C)cc1	160563727	XWEATRABHUJLSG-APPDUMDISA-N	287.790	4.837	70	10	CJIE	
CCCN[C@@H]1CC[C@H](CC)C[C@@H]1C[C@@H]1CCC(C)(C)O1	160587231	RCMYAFJOWWJSLX-VVLHAWIVSA-N	281.484	4.529	70	10	CJIE	
CC[C@H](Nc1cccc(N(C)C)c1)c1ccc(C)cc1	161131580	QKSDAZDVLHCDII-SFHVURJKSA-N	268.404	4.624	70	10	CJIE	
CCC[C@@H]1CC[C@@H](N)[C@@H](Cc2ccc(F)cc2Cl)C1	217692125	VFJALJBIZYCRPQ-AXAPSJFSSA-N	283.818	4.565	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)s1)[C@@H]1CCC[C@@H](C)C1	217987747	XBTDLPGDZFFJKI-CKEIUWERSA-N	279.493	4.657	70	10	CJIE	
CCCN[C@@H](CC(C)(C)C)c1cccc(OC2CC2)c1	159580250	JLEZWDKTMFMSLQ-KRWDZBQOSA-N	275.436	4.705	70	10	CJIE	
CN[C@@H](Cc1cc(C)ccc1C)c1cccc(C)c1Cl	160362517	JZYVJLWFMHTRDJ-KRWDZBQOSA-N	287.834	4.768	70	10	CJIE	
Fc1ccc([C@@H]2CNc3ccc(Cl)cc3O2)c(Cl)c1	160560789	HZZFDNJXVBRFEE-AWEZNQCLSA-N	298.144	4.678	70	10	CJIE	
Fc1cc(F)c(NCc2ccc(Cl)cc2F)cc1F	160815755	IAQLTRPNXZQKGC-UHFFFAOYSA-N	289.659	4.509	70	10	CJIE	
Cc1ccc(C)c(C(=O)c2c(C)ccc3ccccc23)c1	160819463	USIWUZHPOSELRS-UHFFFAOYSA-N	274.363	4.996	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](N)c1ccc(F)cc1Cl	160861617	PWAPWYWQGWAJAY-GOSISDBHSA-N	299.776	4.989	70	10	CJIE	
CN[C@H](c1ccsc1)c1c(C)ccc2ccccc12	160902674	WICNTCTWCYTCAY-QGZVFWFLSA-N	267.397	4.519	70	10	CJIE	
CCN[C@H](Cc1ccc(Cl)s1)c1cc(C)cc(C)c1	160960187	VTGBZXOCZQJECB-OAHLLOKOSA-N	293.863	4.912	70	10	CJIE	
CC[C@H]1CCC[C@H](Nc2ccc(C)c(N(C)C)c2)CC1	161213214	ZMNWDWRHPDTCNR-HOTGVXAUSA-N	274.452	4.832	70	10	CJIE	
CCC(CC)[C@H](Cc1ccc(C(C)(C)C)cc1)NC	161280414	CPYZCGCUNOQWRG-KRWDZBQOSA-N	261.453	4.551	70	10	CJIE	
Cc1cc(C2CCCCC2)nc(Nc2ccccc2)n1	216915923	DITOMKJMZJRDON-UHFFFAOYSA-N	267.376	4.576	70	10	CJIE	
CCC[C@@H]1CC[C@H](NC)[C@@H](Cc2ccc(Cl)cc2)C1	217708762	UGTHZRGZJXVIAP-UNEWFSDZSA-N	279.855	4.687	70	10	CJIE	
COc1ccc([C@H](C)N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1	218075895	AIZUJFJEAJSBAW-VGDUNAEUSA-N	287.447	4.561	70	10	CJIE	
Cc1cccc2c1OCCC[C@H]2NC[C@H]1CCCC[C@H]1C	218152288	BJVVJWWOILLLGN-QGPMSJSTSA-N	287.447	4.625	70	10	CJIE	
CC(C)(C)c1ccc(NC(=O)NC=C2CCCC2)cc1	218769284	BFYODLUWDOXGTN-UHFFFAOYSA-N	272.392	4.564	70	10	CJIE	
F[B-](F)(F)/C=C\c1ccc(Cl)c(C(F)(F)F)c1	393643253	ZJNXJKIEZIPMCH-ARJAWSKDSA-N	273.392	4.759	70	10	CJIE	
Fc1ccc([C@@H]2C[C@H]2[B-](F)(F)F)c(C(F)(F)F)c1	1908066754	LNQPNPRCUDYCLC-IONNQARKSA-N	270.964	4.549	70	10	CJIE	
CC[C@H]1CCC[C@@H](OCc2cccc([B-](F)(F)F)c2C)C1	2283572672	FPDMCXNZAMLSLG-DZGCQCFKSA-N	299.165	4.535	70	10	CJIE	
Cc1cccc(C(=O)[C@@H]2CCCc3ccccc32)c1Cl	160351812	ZPKBKDCFWLZQFI-OAHLLOKOSA-N	284.786	4.951	70	10	CJIE	
Fc1ccc([C@H]2CNc3ccc(Cl)cc3O2)cc1Cl	160570107	MOKVDILSZJKQHR-CQSZACIVSA-N	298.144	4.678	70	10	CJIE	
CCC[C@@H](NCCN(C)[C@@H](C)CC)c1ccc(Cl)cc1	217772949	CDSAGZNCYKLMMT-WMLDXEAASA-N	296.886	4.501	70	10	CJIE	
C[C@@H]1CCC[C@@H]([C@@H](O)c2ccc(C(C)(C)C)cc2)C1	217919697	GPYWHKULEAKNSU-UNEWFSDZSA-N	260.421	4.844	70	10	CJIE	
CCN[C@@H](c1cc(C)ccc1F)[C@H]1CCC[C@@H](C)C1	217981601	NWPSASQTDDQKLK-HACGYAERSA-N	263.400	4.611	70	10	CJIE	
Cc1ccccc1C1CC(N[C@@H]2CCC[C@@H](C)[C@H]2C)C1	218065985	XJFXJROTDJOXHA-LWAGUXPDSA-N	271.448	4.655	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1NCc1cc2ccccc2o1	218481147	ZYBUXSGGSREHQB-WBAXXEDZSA-N	285.431	4.983	70	10	CJIE	
C=C(CCSc1ccc(C)cc1C)[B-](F)(F)F	1978059506	GNLZMBIDNUSBLK-UHFFFAOYSA-N	259.125	4.728	70	10	CJIE	
CC(C)=C(COc1ccc(Cl)cc1F)[B-](F)(F)F	2301864835	QYHYUOMQSAERDL-UHFFFAOYSA-N	281.465	4.581	70	10	CJIE	
CCCNc1cc(Oc2cccc(C(F)(F)F)c2)ccn1	159375213	ACQYRKGINQFEAZ-UHFFFAOYSA-N	296.292	4.715	70	10	CJIE	
CCSCC[C@@H](C)N[C@H](c1ccc(C)cc1)C1CC1	160038432	CHOACOHSIDVYOF-RHSMWYFYSA-N	277.477	4.567	70	10	CJIE	
CCCC[C@](CC)(CNCCC)C[C@H]1CCC(C)(C)O1	160905446	XWCJIDNSMLWPRE-AEFFLSMTSA-N	283.500	4.920	70	10	CJIE	
C[C@@H]1CCC[C@@H]([C@@H](O)Cc2cccc3ccccc23)C1	217924165	KPWCPGIBPSIXAR-BJZITVGISA-N	268.400	4.570	70	10	CJIE	
CC(C)C1CCC(N[C@H]2CCC[C@H](C)[C@@H]2C)CC1	218076220	HVEMVVKBFVDULF-UCMFOZJVSA-N	251.458	4.616	70	10	CJIE	
Cc1ccc(N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c(C)c1O	218076637	XEARSJMLQGHUCX-QIIPPGSGSA-N	273.420	4.636	70	10	CJIE	
C[C@@H]1C[C@H](N[C@H](C)c2c(F)cccc2F)CC(C)(C)C1	218093856	LHNWZSHWULQCAQ-UPJWGTAASA-N	281.390	4.830	70	10	CJIE	
CCCN[C@H](Cc1cc(F)ccc1C)[C@H]1CC[C@@H](CC)C1	218313906	XJHXIMOUSDVJGJ-JTDSTZFVSA-N	291.454	4.871	70	10	CJIE	
Cc1ccc(/C=C/[B-](F)(F)F)cc1OCc1ccccc1	393771523	GNRFCDOHBDLPRP-MDZDMXLPSA-N	291.101	4.974	70	10	CJIE	
CCC(C)(C)COc1ccc2ccccc2c1[B-](F)(F)F	713234312	BWKQFADFUCJJRY-UHFFFAOYSA-N	295.133	4.709	70	10	CJIE	
C=C(CCN(C)[C@@H](C)[C@H]1CCCC(C)(C)C1)[B-](F)(F)F	2112219468	DQDBMZDXUSYKOA-KBPBESRZSA-N	290.202	4.856	70	10	CJIE	
Cc1sc([C@H]2C[C@@H]2[B-](F)(F)F)c(C)c1Br	2209573657	ICOSRXOZZZVEPC-BQBZGAKWSA-N	297.956	4.832	70	10	CJIE	
CCCC[C@H](CC)CNCCc1cccc2cccnc12	159409569	CWIJGPDATAWBFE-INIZCTEOSA-N	284.447	4.583	70	10	CJIE	
FC(F)c1ccc([C@H]2CCNC[C@@H]2C2CCCC2)cc1	160128360	BHODGRLRVAGEOQ-HZPDHXFCSA-N	279.374	4.508	70	10	CJIE	
CCN[C@H](CC1CCCCC1)c1ccc(F)c(F)c1F	161003777	DZAICDRKLKTVLY-CQSZACIVSA-N	285.353	4.725	70	10	CJIE	
CCN[C@@H](Cc1ccc(CC)s1)c1ccc2c(c1)CCC2	161232533	POGSDQLBAVEXEY-IBGZPJMESA-N	299.483	4.693	70	10	CJIE	
CCN[C@H](c1ccc(OCC)cc1)[C@H]1CCC[C@@H](C)C1	217977673	BFLDSMOADLYNBX-UWWQBHOKSA-N	275.436	4.562	70	10	CJIE	
Cc1cc(C)c(CN[C@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c(C)c1	218007503	RJPNMJXQNIUSEM-IPLXSBJHSA-N	283.459	4.526	70	10	CJIE	
CCCN[C@@H]1CC[C@H](CCC)C[C@@H]1Oc1ccc(C)cc1	218779173	MJTRFAINPXVYCL-UHOSZYNNSA-N	289.463	4.711	70	10	CJIE	
CC(C)=C(CN(C)[C@@H](C)c1ccc(C)s1)[B-](F)(F)F	2317988525	BHXRCJBEEDUNAE-NSHDSACASA-N	290.183	4.772	70	10	CJIE	
CCCCC[C@@H](NCC)c1c(F)c(F)c(F)c(F)c1F	159638115	YLPSUPNYQZTMJR-MRVPVSSYSA-N	295.295	4.613	70	10	CJIE	
CCSCC[C@@H](C)N[C@H](C)c1oc2ccccc2c1C	159978351	WADKZZTUFRFJFN-TZMCWYRMSA-N	291.460	4.924	70	10	CJIE	
CCN[C@H](C1=CCCCC1)C1C2CC3CC(C2)CC1C3	160144031	HBVIAYTYBAZGHO-NFBBTKTMSA-N	273.464	4.537	70	10	CJIE	
Cc1cccc([C@H](N)c2ccc3c(c2)CCCC3)c1Cl	160280382	WWJJIWGSURWWMV-GOSISDBHSA-N	285.818	4.575	70	10	CJIE	
CCCN[C@@H]1CCCC[C@@H]1O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	218748553	FRZXOEXCMBDXQF-BRIYLRKRSA-N	295.511	4.775	70	10	CJIE	
F[B-](F)(F)/C=C\c1cccc(C(F)(F)F)c1Cl	309638757	QGLCSRDIFGWWCM-PLNGDYQASA-N	273.392	4.759	70	10	CJIE	
C=C(CCN(C)[C@H]1CCCC(C)(C)CC1)[B-](F)(F)F	2044975603	FOICSINYYAERQE-ZDUSSCGKSA-N	276.175	4.610	70	10	CJIE	
CC(C)CCCCCN1CCC([B-](F)(F)F)CC1	2216950990	DLNZORGYSMLXBY-UHFFFAOYSA-N	264.164	4.516	70	10	CJIE	
O[C@H](c1cc2c(s1)CCCCC2)[C@H]1C[C@@H]1c1ccccc1	160052820	XFMGVPSWYWJUBI-GJYPPUQNSA-N	298.451	4.854	70	10	CJIE	
Cc1cccc([C@@H](N)c2ccc(CC(C)C)cc2)c1Cl	160279967	YZFQNJFILBUQQR-SFHVURJKSA-N	287.834	4.895	70	10	CJIE	
N[C@@H](CC1CCCCC1)c1ccc(F)c(C(F)(F)F)c1	161026828	XAOGEAXBMQRXFG-AWEZNQCLSA-N	289.316	4.815	70	10	CJIE	
Cc1cc(C)c2c(C3CC3)c(CNCC(C)C)oc2c1C	161209856	DAEYIEIYQIGOOH-UHFFFAOYSA-N	285.431	4.981	70	10	CJIE	
C[C@@H]1CCC[C@@H](N[C@H](c2ccc(F)cc2)C2CC2)[C@@H]1C	217897630	DRBBIWDIUMCPHT-HLNSBACISA-N	275.411	4.691	70	10	CJIE	
CC(C)Oc1ccccc1N[C@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218100506	GITFRHREDDRROY-DXWTWGPWSA-N	285.431	4.710	70	10	CJIE	
CC[C@H]1CC[C@H](CN)[C@@H](Cc2cccc(C(F)(F)F)c2)C1	218698460	WWTYVHMRXQDOHJ-NWANDNLSSA-N	299.380	4.649	70	10	CJIE	
C=C(CCOC1(C)C2CC3CC(C2)CC1C3)[B-](F)(F)F	2271637045	YZGLASQTNHKHFQ-UHFFFAOYSA-N	287.154	4.551	70	10	CJIE	
C1CCCC(c2nc(C3CC3)c(CNC3CC3)s2)CC1	159562798	SIPNUHWMDLSQGE-UHFFFAOYSA-N	290.476	4.710	70	10	CJIE	
Cc1ccc(F)c([C@@H](O)c2cccc(CC(C)C)c2)c1F	159866012	CLDIFTXDWMYYCU-SFHVURJKSA-N	290.353	4.553	70	10	CJIE	
Cc1cc(C)cc(C[C@@H](CNCC(C)C)C2CCCC2)c1	160018240	IHTQMTFIAAEJRQ-FQEVSTJZSA-N	287.491	4.898	70	10	CJIE	
CN[C@H](CC1CCCCC1)c1cc2c(s1)CCCC2	161068389	ZNKIGWWORWMBQC-OAHLLOKOSA-N	277.477	4.858	70	10	CJIE	
CCOC1(C(=O)c2ccccc2Cl)CCC(C)(C)CC1	161254965	SMKXGAKEXLJPMX-UHFFFAOYSA-N	294.822	4.898	70	10	CJIE	
C[C@@H](NCCCC1CC1)c1ccc2ccccc2c1	161467733	ZCNZTCBISKBSMS-CQSZACIVSA-N	253.389	4.681	70	10	CJIE	
CCN[C@H](c1ccc(CC)cc1)[C@@H]1CCC[C@@H](C)C1	218003060	HRLCQYYECUOBNQ-ZTFGCOKTSA-N	259.437	4.726	70	10	CJIE	
Cc1nc([C@H](C)N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c(C)s1	218069010	YUMVMQYWGSFDGN-IHQJAULKSA-N	292.492	4.625	70	10	CJIE	
Cc1ccc([C@@H](O[C@@H]2C[C@@H](C)CC(C)(C)C2)[C@@H](C)N)cc1	218263831	KMVXNHKRBQJQJJ-AHCXZYCDSA-N	289.463	4.615	70	10	CJIE	
CCNC[C@@H]1CC[C@H](CC)C[C@@H]1c1cc(F)ccc1Cl	218523150	AZCDFYLWDXBIEG-YDHLFZDLSA-N	297.845	4.999	70	10	CJIE	
CCN[C@H]1CC[C@H](C(C)(C)CC)C[C@@H]1N(C)C[C@@H](C)CC	218636092	ODBVYYOMSKWLJN-XSLAGTTESA-N	296.543	4.547	70	10	CJIE	
CCCC[C@@H](CC)C[C@H]1C[C@@H](CC)CC[C@@H]1CN	218656806	DZEAIGLNBYKDHT-TWMKSMIVSA-N	253.474	4.994	70	10	CJIE	
CC(C)CCCCCN1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2073777118	NNXJFTQUANQSPU-KGLIPLIRSA-N	276.175	4.516	70	10	CJIE	
CCCNC[C@H](Cc1c(F)cccc1Cl)C1CCCC1	159951162	IGKVEKKVIAUXLN-AWEZNQCLSA-N	297.845	4.828	70	10	CJIE	
CN[C@@H](c1c(C)ccc2ccccc12)[C@@H](C)C(C)C	160887128	SQJBYHHJJVJMDP-KBXCAEBGSA-N	255.405	4.701	70	10	CJIE	
CCN[C@@H](Cc1ccc(CC)s1)CC1CCCCC1	161138421	IYQYNHNTTUBFOH-OAHLLOKOSA-N	279.493	4.802	70	10	CJIE	
CC(C)(C)c1ccc([C@H](O)c2cc(F)cc(Cl)c2)cc1	161222843	NBFYGIMUDWWQPQ-INIZCTEOSA-N	292.781	4.858	70	10	CJIE	
Cc1cc(C)cc([C@H](N)Cc2ccc(C(C)(C)C)cc2)c1	161243547	RGNLETAXCPSEDI-LJQANCHMSA-N	281.443	4.843	70	10	CJIE	
CCOC1(C(=O)[C@@H]2CCC[C@@H](C)C2)CCC(C)(C)CC1	161253435	UHMDMXABGAZHHC-HUUCEWRRSA-N	280.452	4.757	70	10	CJIE	
CCOC1(C(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)CCCCCC1	161357940	LNZLAAKUGIKFCH-BZUAXINKSA-N	280.452	4.757	70	10	CJIE	
CCCNCc1oc2ccc(C(C)C)cc2c1C1CC1	161361722	RFBCQSXPTOADRJ-UHFFFAOYSA-N	271.404	4.933	70	10	CJIE	
Cc1c(Cl)nc(C2CC2)nc1O[C@H]1CC[C@H](C)[C@@H](C)C1	217542774	WFAGYOMOKSJMJN-KWBADKCTSA-N	294.826	4.519	70	10	CJIE	
CCCC[C@@H](CC)CO[C@H](c1ccsc1)[C@@H](N)CC	218269826	YIAKYTMVKUUQEU-VNQPRFMTSA-N	283.481	4.760	70	10	CJIE	
Fc1ccc(Cl)cc1C12CC([B-](F)(F)F)(C1)C2	1887484468	CKFDTRZJTPHIBK-UHFFFAOYSA-N	263.450	4.502	70	10	CJIE	
Cc1ccc(OC[C@@H]2C[C@@H](C)C[C@@H](C)C2)c([B-](F)(F)F)c1	2149169300	GVQIDVGZIDZKSF-WDNDVIMCSA-N	299.165	4.501	70	10	CJIE	
C=C(COCC[C@H](C)CCCC(C)C)[B-](F)(F)F	2248814561	CFONRNYVAPQWDR-GFCCVEGCSA-N	265.148	4.798	70	10	CJIE	
C[C@H](CBr)c1cccc(Oc2ccccc2)c1	140958806	RYVZMEGDGUPCSF-GFCCVEGCSA-N	291.188	4.977	70	10	CJIE	
CCN[C@H](C1=CCCCO1)C1CCC(C(C)(C)C)CC1	160045125	KXALVJIPRXMANV-DQPZFDDXSA-N	279.468	4.511	70	10	CJIE	
CCN[C@H](c1ccsc1)c1c(C)ccc2ccccc12	160923903	QMHRDWBZEJWGHV-GOSISDBHSA-N	281.424	4.909	70	10	CJIE	
CN[C@@H](c1cc2ccc(F)cc2s1)c1cc(C)ccc1C	161139215	HZWSKJOVGZJQOB-GOSISDBHSA-N	299.414	4.966	70	10	CJIE	
CCc1ccc([C@H](C)Nc2ccc(C)c(N(C)C)c2)s1	161182681	VGPAAXBLEHSPHP-ZDUSSCGKSA-N	288.460	4.858	70	10	CJIE	
Cc1ccc([C@H](N)Cc2ccc(C(C)(C)C)cc2)s1	161295517	DJAJWJBONZLDNK-OAHLLOKOSA-N	273.445	4.597	70	10	CJIE	
CC(C)COc1ccc([C@@H](C)NCCCC2CC2)cc1	161412997	VAJLPUPNVGVRBH-OAHLLOKOSA-N	275.436	4.562	70	10	CJIE	
CCCN[C@@H](c1ccccc1OC)[C@H]1CCC[C@@H](C)C1	218032211	BIMNDGONRJZOHO-RVKKMQEKSA-N	275.436	4.562	70	10	CJIE	
Cc1nc2cc(N[C@@H]3C[C@H]4CC[C@@]3(C)C4(C)C)ccc2o1	218088267	ZMMQFVUOZHJPDB-XHBKTUGNSA-N	284.403	4.763	70	10	CJIE	
Cc1ccc2cc([C@H](O)[C@@H]3CC[C@@H](C)[C@@H](C)C3)ccc2n1	218374332	QKXZJKFEWKXDNF-UESRRSCYSA-N	283.415	4.649	70	10	CJIE	
CCN[C@@H]1CC[C@H](C(C)C)C[C@@H]1N(CC)CC(CC)CC	218671125	AWQCHGZUJDBRBS-OTWHNJEPSA-N	296.543	4.547	70	10	CJIE	
Cc1cc(O[C@H]2CCC3(CCCC3)C2)ccc1[B-](F)(F)F	2155211289	PYCHBKBQJSCAHV-AWEZNQCLSA-N	297.149	4.541	70	10	CJIE	
Cc1cc(C(=O)C2C3CC4CC(C3)CC2C4)c(F)cc1F	160116399	FFCHJSOLUIPLFU-UHFFFAOYSA-N	290.353	4.528	70	10	CJIE	
Fc1ccc([C@H]2CNc3cccc(Cl)c3O2)c(Cl)c1	160532385	VLVUJHKFIHZDTJ-CYBMUJFWSA-N	298.144	4.678	70	10	CJIE	
CCOC1(C(=O)[C@@H]2CCCC[C@@H]2CC)CCC(C)CC1	160974608	MUIDFRYVTSDKFL-BNQMIIOLSA-N	280.452	4.757	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](O)[C@H]1C[C@@H]2CC[C@@H]1C2	161001542	LJUFNGXBHZVXTR-OVLVRJBISA-N	266.384	4.618	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1cccc(C)c1C	161322594	OZOCNXNWOSXTIP-SFHVURJKSA-N	257.421	4.845	70	10	CJIE	
CC(C)(C)c1ccc(NC(=O)N/C=C/c2ccccc2)cc1	217641313	DTMIOCDDMCPWIP-BUHFOSPRSA-N	294.398	4.777	70	10	CJIE	
CCCN[C@H](Cc1ccccc1F)[C@H]1CCC[C@@H](C)C1	218029525	QKSWKRXXPFRJKH-UWWQBHOKSA-N	277.427	4.563	70	10	CJIE	
CCCCCC[C@@H](C)O[C@H](C)[C@@H](O)c1ccc(C)cc1	218552434	MIOAERMLLFPUOK-JFIYKMOQSA-N	278.436	4.792	70	10	CJIE	
C=C(CCN(C)CC1CC(CC(C)(C)C)C1)[B-](F)(F)F	2274297249	WHKYKMYCOWGEMN-UHFFFAOYSA-N	290.202	4.714	70	10	CJIE	
CCC(CC)(CC)CN(C)CC(=C(C)C)[B-](F)(F)F	2317857721	FKBUYDHZXGVWRC-UHFFFAOYSA-N	278.191	4.858	70	10	CJIE	
CCCCC1CCC(CNC)(C[C@@H]2CCC(C)(C)O2)CC1	160896291	MZFXKYIJFLNCGT-HFCFLWKCSA-N	295.511	4.920	70	10	CJIE	
CN[C@@H](CC1CCCCC1)c1ccccc1OC(F)F	161045259	HAJLWQQOFRAHPH-AWEZNQCLSA-N	283.362	4.519	70	10	CJIE	
N[C@H](CC1=CCCCC1)c1cccc(C(F)(F)F)c1	161219353	FUMOPZSFJXJWGP-CQSZACIVSA-N	269.310	4.596	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCCNc1ccccc1F	217893469	WHWOZUXEMZXPHY-MPGHIAIKSA-N	293.426	4.715	70	10	CJIE	
Cc1c([C@H](C)N[C@@H]2CCC[C@@H](C)C2)oc2ccccc12	217996642	BSZDYCRZPDTAPF-VHDGCEQUSA-N	271.404	4.971	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1NCCc1cc(F)cc(F)c1	218191720	ORVOVRABDBDHGK-VHSSKADRSA-N	295.417	4.558	70	10	CJIE	
C[C@H]1CC[C@@H](CN)[C@@H](Cc2c(Cl)cccc2Cl)C1	218589459	JAFKZADGGUCTHY-SDDRHHMPSA-N	286.246	4.547	70	10	CJIE	
O[C@H](Cc1c(F)cccc1F)c1ccccc1C1CCC1	160014090	XQYSQWOYIWLAAE-GOSISDBHSA-N	288.337	4.508	70	10	CJIE	
Cc1ccc(C[C@@H](CNCC(C)C)C2CCCC2)cc1C	160016010	CKXHQEBHLLWARJ-FQEVSTJZSA-N	287.491	4.898	70	10	CJIE	
CCc1cccc(C)c1NCc1cc(F)cc(Cl)c1	160894784	HJMLPAOZEBJPQQ-UHFFFAOYSA-N	277.770	4.962	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1Nc1cccc(N(C)C)c1	161120520	BHGKIDNOYQJGTH-ZTFGCOKTSA-N	274.452	4.625	70	10	CJIE	
CNCc1oc2c(C(C)C)ccc(C)c2c1CC(C)C	161407664	CXMSKGGRJTZFPE-UHFFFAOYSA-N	273.420	4.783	70	10	CJIE	
CCCCCC[C@@H](C)B(c1ccccc1)c1ccccc1	196369206	XAETVWHUOZWMNT-GOSISDBHSA-N	278.248	4.656	70	10	CJIE	
CCCC[C@H](CC)CC(=O)[C@@]1(N(C)C)CCC[C@@H](C)C1	217469610	QPKOWDBIWMPQFV-SOLBZPMBSA-N	281.484	4.673	70	10	CJIE	
Cc1cc([C@H](O)c2ccccc2C2CCC2)ccc1Cl	160025334	JTCRZCWCOVTYCQ-SFHVURJKSA-N	286.802	4.998	70	10	CJIE	
CCCN[C@@H](C1=CCCCO1)C1(CC(C)C)CCCC1	160390620	XSIGCQJZMKNGQD-KRWDZBQOSA-N	279.468	4.655	70	10	CJIE	
CC(C)C1CCC([C@H](N)c2c(Cl)cnn2C(C)C)CC1	160510435	WIGHJRYDLWIPDH-PIMMBPRGSA-N	297.874	4.580	70	10	CJIE	
C[C@@H]1CCC[C@@H]([C@@H](N)Cc2ccc(C(C)(C)C)cc2)C1	217950167	GOFPTDGAUSFTBT-KYJSFNMBSA-N	273.464	4.680	70	10	CJIE	
CN[C@@H](c1cccc2ccccc12)[C@H]1CCC[C@@H](C)C1	217960410	FLMZYHYXLFRPOK-SIXWZSSISA-N	267.416	4.927	70	10	CJIE	
CCCN[C@@H](Cc1ccc(CC)cc1)[C@H]1CCC[C@@H](C)C1	218013395	SBUIDOLYOHGFJN-UXPWSPDFSA-N	287.491	4.986	70	10	CJIE	
FC(F)(F)c1ccc(N[C@H]2C[C@@H]3CC=C[C@H]32)c(Cl)c1	218167965	BCRATOBEMMKKIG-PLMOITTCSA-N	287.712	4.735	70	10	CJIE	
CCC[C@H]1CC[C@H](CN)[C@@H](CCCc2ccccc2)C1	218753929	ZKYFPXHBNCMZEG-GBESFXJTSA-N	273.464	4.801	70	10	CJIE	
CCCN[C@@H]1CC[C@H](CCC)C[C@@H]1OCc1ccccc1	218764594	IWTVVNRMGYNKMB-UHOSZYNNSA-N	289.463	4.540	70	10	CJIE	
CC(C)(C)C1(CN2CC[C@](C)([B-](F)(F)F)C2)CCC1	2319749253	MTFYBZUFFMLHDV-ZDUSSCGKSA-N	276.175	4.516	70	10	CJIE	
CCCNCc1sc([C@@H]2CC[C@H](CC)C2)nc1C1CC1	159509808	GDYHWTFBUHPINH-GXTWGEPZSA-N	292.492	4.814	70	10	CJIE	
Cc1ccc(C[C@H](CNC(C)C)C2CCCC2)cc1C	159966955	LSKRLYUIXCVHKG-LJQANCHMSA-N	273.464	4.650	70	10	CJIE	
CCCN[C@H](c1ccc(F)cc1)c1cccc(C)c1Cl	160301670	OGEFIVUUSIXJBQ-QGZVFWFLSA-N	291.797	4.877	70	10	CJIE	
CCCN[C@H]1CCCCCC[C@@H]1Oc1ccc(F)cc1C	160561412	YMOLHJHUNTWIKK-WMZOPIPTSA-N	293.426	4.604	70	10	CJIE	
CCc1ccc([C@@H](C)NCc2coc3ccccc23)cc1	161074060	DRHNGMQBNFBGAT-CQSZACIVSA-N	279.383	4.846	70	10	CJIE	
Cc1cc2oc(CNCC(C)C)c(C(C)C)c2cc1C	161248176	STBJAUYAFUKSSH-UHFFFAOYSA-N	273.420	4.919	70	10	CJIE	
CCC[C@H]1CC[C@@H](NC)[C@@H](Cc2c(F)cccc2Cl)C1	217702956	NXMPBNOLQVPKCU-OGHNNQOOSA-N	297.845	4.826	70	10	CJIE	
CCC[C@H]1CC[C@H](NCC)[C@@H](CCOc2ccccc2)C1	217718226	XJFQURZEMJCBSI-LNLFQRSKSA-N	289.463	4.650	70	10	CJIE	
N[C@@]1(c2cc(Cl)ccc2Cl)C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217888597	AJUXBHYXOBNYDQ-NDPRJGJWSA-N	296.241	4.604	70	10	CJIE	
CCCNCc1sc([C@@H]2CC[C@H](C)C2)nc1CC(C)C	159799694	IPEDMBPNMVUICN-UONOGXRCSA-N	294.508	4.745	70	10	CJIE	
Cc1cc([C@@H](O)c2ccccc2C2CCC2)sc1C	160008122	TUGCAFZTVBRRDV-KRWDZBQOSA-N	272.413	4.714	70	10	CJIE	
CCCC[C@H](CC)[C@@H](Cc1ccc(F)cc1Cl)NC	160563877	WXCDKGOKJLZBCL-BLLLJJGKSA-N	285.834	4.826	70	10	CJIE	
CCN[C@@H](Cc1ccc(CC)s1)c1ccc(CC)s1	161179742	RYMBHDVHGJJRFS-HNNXBMFYSA-N	293.501	4.828	70	10	CJIE	
C1CCC([C@@H]2CCCC[C@H]2NCCCC2CC2)CC1	161355332	XIGQVAPFRVJBRG-ZWKOTPCHSA-N	263.469	4.905	70	10	CJIE	
CNCc1oc2c(C(C)(C)C)cccc2c1C(C)C	161385254	YJJDNCBGRCHXCP-UHFFFAOYSA-N	259.393	4.573	70	10	CJIE	
C[C@@H]1CCC[C@H](CCNC/C=C\c2ccccc2)C1	217035050	FSDNRWWIPSULAA-OMBXOEEJSA-N	257.421	4.506	70	10	CJIE	
C[C@H]1CCC[C@@H](C)N1N[C@H](C)c1ccc2ccccc2c1	218439086	IUNULLSWHCYIGV-OWCLPIDISA-N	282.431	4.668	70	10	CJIE	
O=C(N/C=C/C1CCCC1)Nc1ccc(Cl)cc1Cl	218584038	ORLKYVBSHNAUHQ-BQYQJAHWSA-N	299.201	4.819	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@@H]1C1CCC(C(F)(F)F)CC1	1984461888	IJUBANJLTRBPEH-YNTFGVKOSA-N	259.022	4.593	70	10	CJIE	
CC(C)=C(COc1cc(F)ccc1Cl)[B-](F)(F)F	2301863110	ACGULSMTMNGGEM-UHFFFAOYSA-N	281.465	4.581	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)CC[C@@H]1CCCCO1	160826868	RZVPAFLHJDFQHL-INIZCTEOSA-N	282.383	4.680	70	10	CJIE	
Cc1cc([C@H](O)c2c(C)ccc3ccccc23)ccc1F	160982163	ARSNGPXOKDBXKI-IBGZPJMESA-N	280.342	4.677	70	10	CJIE	
Cc1cccc([C@@H](N)Cc2ccc(C(C)(C)C)cc2)c1F	161256913	LWGWFZLZEKILHZ-KRWDZBQOSA-N	285.406	4.674	70	10	CJIE	
CC[C@H]1CCC[C@@H](C(=O)C2(OC)CCC(C)(C)CC2)C1	161294042	SVEMDNUALBEMSI-LSDHHAIUSA-N	280.452	4.757	70	10	CJIE	
Cc1ccc(C(=O)[C@@H](C)S[C@@H]2CCC[C@@H](C)C2)cc1	217876230	PMSXQFDDQXBDQZ-IIAWOOMASA-N	276.445	4.878	70	10	CJIE	
CCN[C@@H](c1ccc(OCC)cc1)[C@@H]1CCC[C@@H](C)C1	217977588	BFLDSMOADLYNBX-KYJSFNMBSA-N	275.436	4.562	70	10	CJIE	
CCCC[C@@H](CC)CO[C@@H](c1ccc(C)o1)[C@@H](N)CC	218268186	HDQHCMISHQZLDZ-HLLBOEOZSA-N	281.440	4.599	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](c2ccc(Cl)cc2F)C1	218761645	UYFRPTRMQSTDKU-JMSVASOKSA-N	283.818	4.738	70	10	CJIE	
CCCCCn1ccc2ccc(Br)cc21	159722753	KNBMYVPYPVPBAQ-UHFFFAOYSA-N	266.182	4.594	70	10	CJIE	
O[C@H](CC1=CCCCC1)c1ccccc1OC(F)(F)F	161088757	FCYRVVUUQMQHTG-CYBMUJFWSA-N	286.293	4.509	70	10	CJIE	
CCc1ccc(C[C@H](NC)c2cccc(C)c2Cl)s1	161151064	DBIUMCZZKHQKEJ-HNNXBMFYSA-N	293.863	4.776	70	10	CJIE	
CCO[C@H](C(=O)c1ccc(Cl)cc1F)C1CCCCC1	161444352	JVIFBHQYRPHVQU-INIZCTEOSA-N	298.785	4.647	70	10	CJIE	
C[C@H](c1ccc(O)cc1)N1CCC[C@@H](C(C)(C)C)CC1	217883007	SNMZGLWJYHQZCZ-GDBMZVCRSA-N	275.436	4.601	70	10	CJIE	
CCN[C@H](c1cc(C)ccc1C)[C@@H]1CCC[C@@H](C)C1	218002384	ZDAJTSMERIJZHT-QBIMZIAESA-N	259.437	4.780	70	10	CJIE	
Cc1ccc([C@@H](C)N[C@@H]2C[C@@H](C)CC(C)(C)C2)s1	218141855	ZVPRMUITKQGVAA-MRVWCRGKSA-N	265.466	4.922	70	10	CJIE	
C=C(CCOCc1ccc(C(F)(F)F)cc1)[B-](F)(F)F	2231117109	BNJCUXAJUKAKBZ-UHFFFAOYSA-N	297.027	4.555	70	10	CJIE	
CC(C)=C(COc1ccc(C(F)(F)F)cc1)[B-](F)(F)F	2340161115	KXTWTJOKMCIMDP-UHFFFAOYSA-N	297.027	4.807	70	10	CJIE	
C[C@]1([B-](F)(F)F)CCN(Cc2ccc3sccc3c2)C1	2342556917	IHBLJQGYCOMSFD-AWEZNQCLSA-N	298.162	4.715	70	10	CJIE	
Cc1ccc2c(c1)[C@H](Nc1cc(F)c(F)c(F)c1)CC2	160824081	RJYYEXIBWABISH-OAHLLOKOSA-N	277.289	4.512	70	10	CJIE	
Cc1ccc(N[C@H]2CCSc3ccccc32)cc1N(C)C	161219771	JOLYJZANXCCTCK-INIZCTEOSA-N	298.455	4.710	70	10	CJIE	
CC1(C)Cc2ccc(Cl)cc2[C@@H]1NCCCC1CC1	161506008	COYQIPPMOCKXEV-INIZCTEOSA-N	277.839	4.743	70	10	CJIE	
CCC[C@@H]1CC[C@H](N)[C@@H](Cc2ccc(C(C)C)cc2)C1	217677479	QDOPJUJBKLGXAN-LZQZEXGQSA-N	273.464	4.896	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OCCC(C)(C)CC	1890574485	JKQBIYOTGHFMRH-UHFFFAOYSA-N	287.154	4.509	70	10	CJIE	
CCCCCCCCN1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2073770872	APZNPDMLMHJLNQ-ZIAGYGMSSA-N	276.175	4.660	70	10	CJIE	
CC(C)=C(CN1CCC[C@H]1c1ccsc1)[B-](F)(F)F	2317848493	SCCRBAGYFBIADW-ZDUSSCGKSA-N	288.167	4.608	70	10	CJIE	
CC1(C)CCC[C@H](CN2CC[C@](C)([B-](F)(F)F)C2)C1	2319726751	LWJGTEGODDRDMQ-JSGCOSHPSA-N	276.175	4.516	70	10	CJIE	
CC(C)=C(CN1CC(C)(C)c2ccccc21)[B-](F)(F)F	2340328627	NQFYKADRTDTNKP-UHFFFAOYSA-N	282.138	4.507	70	10	CJIE	
O[C@H](c1cc2cc(Cl)ccc2o1)[C@@H]1C[C@@H]1c1ccccc1	159369359	VJPCIUNYOMNZCD-RKVPGOIHSA-N	298.769	4.923	70	10	CJIE	
CCC[C@](C)(CNC(C)(C)C)[C@H]1C[C@@H]1c1ccccc1	159419342	OSQKJYBRUYQXDN-ZIFCJYIRSA-N	273.464	4.985	70	10	CJIE	
CCCN[C@@H](Cc1ccc(F)cc1Cl)[C@@H](C)CCC	160625702	NTXHGADMTZMGPF-LRDDRELGSA-N	285.834	4.826	70	10	CJIE	
CCCN[C@H](Cc1ccc(F)cc1Cl)C(C)(C)CC	160629525	NUKVYVVBNKPFJU-OAHLLOKOSA-N	285.834	4.826	70	10	CJIE	
CC[C@@H](C)C[C@@H](O)c1ccc(Br)cc1Cl	161051568	MSBPAUHSWFPDAX-PRHODGIISA-N	291.616	4.572	70	10	CJIE	
CCOC1(C(=O)CCc2ccccc2)CCC(C)(C)CC1	161263551	DZWQRXDHSSXUTJ-UHFFFAOYSA-N	288.431	4.564	70	10	CJIE	
COC1(C(=O)C2C[C@H](C)C[C@@H](C)C2)CCC(C)(C)CC1	161273077	QNAMGKXGNMSNNK-ZIAGYGMSSA-N	280.452	4.613	70	10	CJIE	
CC(C)(C)c1ccccc1NC(=O)Nc1ccccc1F	217268588	TZCJMXNPBYMROC-UHFFFAOYSA-N	286.350	4.767	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCCc1cc(F)cc(F)c1	218191555	ORVOVRABDBDHGK-BVGQSLNGSA-N	295.417	4.558	70	10	CJIE	
CC[C@@H](N)[C@H](O[C@@H]1CCC[C@@H](C)C1)c1cccc(Cl)c1	218273719	PKQQMLBLEPXMME-BASLNEPJSA-N	295.854	4.714	70	10	CJIE	
CC(C)=C(COCc1ccccc1Cl)[B-](F)(F)F	2301864298	MISOYUINCQMMAK-UHFFFAOYSA-N	277.502	4.580	70	10	CJIE	
CN[C@@H](CC1=CCCCC1)c1ccc2ccccc2c1	161292747	MAIOOLZSLHRJNS-IBGZPJMESA-N	265.400	4.991	70	10	CJIE	
Cc1ccc([C@@H](N)Cc2ccc(C(C)(C)C)cc2)s1	161295622	DJAJWJBONZLDNK-HNNXBMFYSA-N	273.445	4.597	70	10	CJIE	
CCCCN([C@@H](C)CC)[C@H](c1sccc1C)[C@@H](N)CC	217828651	GSUJKVBIWPRJBM-JYJNAYRXSA-N	296.524	4.736	70	10	CJIE	
CCCC[C@@H](CC)C[C@@]1(O)C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217871383	RDXUUXTZWRJMOY-GQLSEVEHSA-N	264.453	4.780	70	10	CJIE	
CCN[C@@H](c1ccc(C)c(C)c1)[C@H]1CCC[C@@H](C)C1	217993702	MNVXYXXEGVAUKG-RPVQJOFSSA-N	259.437	4.780	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCc1cc2c(s1)CCC2	218126361	OMXUFPTWEFHFEC-XYPHTWIQSA-N	291.504	4.787	70	10	CJIE	
Brc1ccc2cc(C3CCCC3)[nH]c2c1	218525035	KAEIMOHTQJWOHV-UHFFFAOYSA-N	264.166	4.588	70	10	CJIE	
CCC(C)(C)[C@H]1CC[C@H](O)[C@H](O[C@@H]2CCC[C@@H](C)C2)C1	218560412	FGZKAGNMCRPWIY-BPKGMFCQSA-N	282.468	4.548	70	10	CJIE	
C[C@]1([B-](F)(F)F)CCN(C[C@H]2C[C@@H]2C2CCCCC2)C1	2342493165	OCJKNVLTCVFSSP-KFWWJZLASA-N	288.186	4.516	70	10	CJIE	
CC(C)Cc1cccc([C@@H](O)CCC2CCCC2)c1	159865208	VMCXVZVJACDCFU-SFHVURJKSA-N	260.421	4.889	70	10	CJIE	
C[C@@H](N[C@H](C)[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(Cl)cc1	159968941	IKQABFZMPZCZEC-PKLKDMKISA-N	275.823	4.591	70	10	CJIE	
CCOc1ccc(N[C@H]2CCc3ccc(C)cc32)c(C)c1	160811565	MITCRVUFTLWFRL-IBGZPJMESA-N	281.399	4.802	70	10	CJIE	
CCCC[C@@H](NCC)c1c(C)ccc2ccccc12	160920343	RWJWSTZTDHLJLW-QGZVFWFLSA-N	255.405	4.989	70	10	CJIE	
CN[C@@H](c1ccc(C(C)(C)C)cc1)[C@@H]1CCCCS1	161292796	DUJRGVDMHFYFDU-HOTGVXAUSA-N	277.477	4.530	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@@H](N)[C@@H](CCCc2ccccc2)C1	217744464	IBZILFVJCDEMCH-OKZBNKHCSA-N	273.464	4.799	70	10	CJIE	
CC(C)c1ccc(NC(=O)N/C=C/C2CCCC2)cc1	218581872	VIZOKMHQZAZSJW-VAWYXSNFSA-N	272.392	4.635	70	10	CJIE	
O=C(N/C=C/C1CCCCC1)Nc1cccc(Cl)c1	218634807	LRIKMDZKTMUWKN-MDZDMXLPSA-N	278.783	4.556	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](c2ccccc2C(F)(F)F)C1	218743874	JYNKHVYBZQBFOK-IPYPFGDCSA-N	299.380	4.964	70	10	CJIE	
CC(C)=C(CN1C[C@H](C)C[C@@H]2CCCC[C@@H]21)[B-](F)(F)F	2340138811	KQEFKFFBMMPJSS-IPYPFGDCSA-N	288.186	4.610	70	10	CJIE	
C[C@@H]1CC[C@H](C(C)(C)[C@@H]2C[C@@H]2c2ccccc2)[C@H](N)C1	159537423	XMBWEVASNJVAMQ-SOVHRIKKSA-N	271.448	4.580	70	10	CJIE	
CC(C)(C)c1c(CN)oc2c1cc(Cl)c1ccccc12	161435079	UBBJOXJLHPBHFW-UHFFFAOYSA-N	287.790	4.996	70	10	CJIE	
Cc1ccc(C[C@]2(O)C[C@@H](C)CC[C@H]2C(C)C)cc1C	217865685	CFGAHCNDZZBLIJ-ZOCIIQOWSA-N	274.448	4.669	70	10	CJIE	
CC(C)c1ccc(C[C@]2(N)C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1	217893073	GVIUUVYVKGFDFX-OMZCGLGVSA-N	283.459	4.506	70	10	CJIE	
N[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217897126	XMGJCFBEJGSBJI-GJXHKJHSSA-N	296.241	4.604	70	10	CJIE	
C[C@@H]1C[C@H](N[C@H](C)Cc2c(F)cccc2F)CC(C)(C)C1	218099279	PPTMQLXHJSUBKB-MCIONIFRSA-N	295.417	4.700	70	10	CJIE	
Cc1cc(N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)ccc1F	218196830	FLOYJMHXRWMDGT-XGWLTEMNSA-N	261.384	4.761	70	10	CJIE	
CCCCCC[C@H](C)O[C@H](c1ccccc1F)[C@@H](N)CC	218260276	WLALRODTTGJVNU-JCGIZDLHSA-N	295.442	4.980	70	10	CJIE	
CC[C@@H]1CC[C@@H](O)[C@@H](Cc2ccc(C(C)C)cc2)C1	218284638	VKVXZTXENCKSMU-ZTFGCOKTSA-N	260.421	4.540	70	10	CJIE	
CCCN[C@H](Cc1cc(F)ccc1C)[C@@H]1CC[C@@H](CC)C1	218313725	XJHXIMOUSDVJGJ-GPMSIDNRSA-N	291.454	4.871	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](N)[C@@H](c2cccc3ccccc23)C1	218499663	SVJHJXUGYJQICN-LZQZEXGQSA-N	267.416	4.707	70	10	CJIE	
CCCCCC[C@H](C)O[C@@]1(CNC)CCC[C@@H](C)C1	218756997	QOHWGIVXDJKKEA-IKGGRYGDSA-N	269.473	4.530	70	10	CJIE	
CCc1ccc(CSCC(=C(C)C)[B-](F)(F)F)o1	2301867857	WAUCJDHRSGDAOU-UHFFFAOYSA-N	277.140	4.798	70	10	CJIE	
C[C@@H](OCCCCCCBr)c1ccccc1	147862154	CIFGWJKVAJBAMG-CYBMUJFWSA-N	285.225	4.720	70	10	CJIE	
CCC[C@@H]1CCC[C@](O)(c2cccc3[nH]ccc23)CC1	159451393	HXJWUCHIJXFALB-RDTXWAMCSA-N	271.404	4.736	70	10	CJIE	
CCCc1ccc([C@H](C)N[C@H](C)CCSCC)cc1	159973038	UTXRHSGBXOXCGH-CABCVRRESA-N	279.493	4.821	70	10	CJIE	
CCOC1(C(=O)c2cccc(C)c2C)CCC(C)(C)CC1	161260508	DOMWOKHBADYHHX-UHFFFAOYSA-N	288.431	4.862	70	10	CJIE	
CCNCc1oc2c(C(C)C)cccc2c1C(C)(C)C	161373088	JMXPNVYRRVIHOK-UHFFFAOYSA-N	273.420	4.963	70	10	CJIE	
CO[C@@H](C(=O)Cc1ccc(C(C)C)cc1)C1CCCCC1	161399219	PGGCJLAGYOSBCK-LJQANCHMSA-N	288.431	4.517	70	10	CJIE	
C[C@H]1C[C@H]1C(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C	161475344	RKRHBEWYPCECFX-GXTWGEPZSA-N	270.416	4.874	70	10	CJIE	
CCC(CC)CN(CC)[C@H](c1ccccc1C)[C@@H](N)CC	217812969	ZMKCMBAMZWSHKB-RBUKOAKNSA-N	290.495	4.532	70	10	CJIE	
CC[C@H](C)[C@@H](c1ccccc1)[C@@H](NC)C1=CCCC1	217884863	HQDBGIWXXSFKBP-WBAXXEDZSA-N	257.421	4.515	70	10	CJIE	
F[B-](F)(F)c1ccc2c3c(cccc13)-c1ccccc1-2	616567903	FORJEHPXCSAKJE-UHFFFAOYSA-N	269.054	4.542	70	10	CJIE	
C=C(CCSCc1ccccc1Cl)[B-](F)(F)F	1978061827	ZLMRXQHVBHMSEB-UHFFFAOYSA-N	279.543	4.906	70	10	CJIE	
C=C(CCN(C)[C@@H]1CCC[C@H](C(C)(C)C)C1)[B-](F)(F)F	2229848501	DXUASBYSZLRUBB-UONOGXRCSA-N	290.202	4.856	70	10	CJIE	
C=C(CCN(C)Cc1ccc(C2CCC2)cc1)[B-](F)(F)F	2240287792	SOACZEDOCNNFOK-UHFFFAOYSA-N	296.165	4.719	70	10	CJIE	
C[C@H](C[C@H](O)c1ccc(OC2CC2)cc1)CC(C)(C)C	159921071	HOKPCZQRCOEHNP-DYVFJYSZSA-N	276.420	4.724	70	10	CJIE	
COC1(c2nc(Cl)cc(C(C)C)n2)CCC(C)(C)CC1	160380270	ZBBDFSXVFPJKCZ-UHFFFAOYSA-N	296.842	4.695	70	10	CJIE	
Cc1ccc(NCCO[C@H]2C[C@H](C)CC[C@H]2C(C)C)cc1	217892831	SRFUPGNQCAKPOA-NEWSRXKRSA-N	289.463	4.884	70	10	CJIE	
COc1ccc2nc(N[C@@H]3CCC[C@@H](C)[C@@H]3C)sc2c1	217917627	LKUVSNMJWKBGDW-NTZNESFSSA-N	290.432	4.542	70	10	CJIE	
CCC1(CC)C[C@H](N[C@H]2C[C@@H](C)CC(C)(C)C2)CCO1	218644377	NBXMFBTWDBENLS-OAGGEKHMSA-N	281.484	4.529	70	10	CJIE	
CCC[C@H]1CC[C@H](CN)[C@@H](Cc2ccc(Cl)s2)C1	218737545	ITWIQLFLMYVHEJ-YNEHKIRRSA-N	285.884	4.735	70	10	CJIE	
CCC[C@H]1CC[C@@H](CN)[C@@H](CC2CCCCC2)C1	218754017	RSBIMFUGOAORFU-BHYGNILZSA-N	251.458	4.748	70	10	CJIE	
CC[C@H]1CC[C@H](NC)[C@@H](Oc2ccccc2[C@H](C)CC)C1	218778847	KWHRAWNKSZRAFO-YEWFCNIMSA-N	289.463	4.746	70	10	CJIE	
C[C@]1(CN2CCC[C@H]([B-](F)(F)F)C2)CCCCC1(F)F	2133914213	RINBOXGIQUJFGD-NWDGAFQWSA-N	298.128	4.515	70	10	CJIE	
C[C@@H]1CCC[C@@H](CCN2CCC([B-](F)(F)F)CC2)C1	2253939376	RZXGIYDFKXRYCT-OLZOCXBDSA-N	276.175	4.516	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(OCC[C@H]2CCC[C@@H](C)C2)c1	2279818491	XIGWLOHBYYUWMI-TZMCWYRMSA-N	299.165	4.645	70	10	CJIE	
C[C@H](NCc1cc(F)cc(Cl)c1)c1cc(F)ccc1F	160837242	JUQVNLQTBFTUFR-VIFPVBQESA-N	299.723	4.608	70	10	CJIE	
Fc1ccc([C@@H](NCCCC2CC2)c2ccccc2)cc1	161445795	HOVTURXTHUQKGG-IBGZPJMESA-N	283.390	4.695	70	10	CJIE	
C[C@@H]1C[C@H](O[C@H](C)CNc2ccccc2)CC(C)(C)C1	217911788	HAKCRKDRAIXACD-INMHGKMJSA-N	275.436	4.718	70	10	CJIE	
CCC[C@H]1CC[C@@H](O)[C@@H](C/C=C\c2ccccc2)C1	218298688	CHCYSCOGZNORCL-ZAOYXZNDSA-N	258.405	4.667	70	10	CJIE	
F[B-](F)(F)/C=C\c1ccc(C(F)(F)F)c(Cl)c1	393625143	KNHKHCBSJZOXSF-ARJAWSKDSA-N	273.392	4.759	70	10	CJIE	
CC(C)c1ccc(CN2CC[C@](C)([B-](F)(F)F)C2)cc1	2342526582	PQKBZOKSJSMOPV-HNNXBMFYSA-N	284.154	4.623	70	10	CJIE	
Cc1ccc([C@H](O)c2cc3cc(F)ccc3o2)cc1Cl	159413045	JQXVRYCTAPBZRP-INIZCTEOSA-N	290.721	4.615	70	10	CJIE	
CCCC[C@@H](CC)[C@@H](O)c1cc2cccc(F)c2o1	159491772	GNBWEQQCFITAOR-IAQYHMDHSA-N	264.340	4.822	70	10	CJIE	
CCC1([C@@H](O)c2ccccc2C2CCC2)CCCC1	160002277	HGILJTQVQUKZOF-KRWDZBQOSA-N	258.405	4.958	70	10	CJIE	
CCCc1c(CNC(C)C)oc2c(C)cc(Cl)cc12	161182173	PGABNKPJRZHHKG-UHFFFAOYSA-N	279.811	4.845	70	10	CJIE	
C[C@@H](C[C@H](N)Cc1ccc(C(C)(C)C)cc1)C(C)(C)C	161269984	IHMLWVYYAYJQLR-YOEHRIQHSA-N	275.480	4.926	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1cc(C)c(OC)cc1C	161347454	BTNGNDVTWMSFJN-SFHVURJKSA-N	287.447	4.853	70	10	CJIE	
CCCN[C@@H](c1cc(C)ccc1C)[C@@H]1CCCCS1	161436194	WFDCNEZPLFXUNK-IRXDYDNUSA-N	277.477	4.630	70	10	CJIE	
CC(C)Oc1ccc([C@@H](C)NC2[C@@H](C)CCC[C@@H]2C)cc1	217997723	JUCBPUQUMBEPKI-HRCADAONSA-N	289.463	4.949	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1[C@@H](O)c1cccc(Cl)c1F	218728754	QGPIMYOIKNEURC-ZIBATOQPSA-N	270.775	4.729	70	10	CJIE	
C=C(CCSCc1cc(C)cc(C)c1)[B-](F)(F)F	1999700770	RIDWIWLWUUCOJP-UHFFFAOYSA-N	273.152	4.870	70	10	CJIE	
C=C(CCOc1ccccc1[C@H](C)CC)[B-](F)(F)F	2044980611	WORHUZYZENTAOD-LLVKDONJSA-N	271.111	4.912	70	10	CJIE	
Cc1cc(OCCC[C@H]2CC2(C)C)c(C)c([B-](F)(F)F)c1	2144440763	RHHBSKLIIPJSSD-ZDUSSCGKSA-N	299.165	4.563	70	10	CJIE	
CN[C@@H](c1sccc1OC)c1c(C)ccc2ccccc12	160893989	KKNLJVYARCKHBQ-QGZVFWFLSA-N	297.423	4.527	70	10	CJIE	
Cc1ccc(N[C@H](C)c2cccc(Cl)c2)cc1N(C)C	161143086	ZXOVHLQOUXMNIO-CYBMUJFWSA-N	288.822	4.888	70	10	CJIE	
CCCN[C@@H](c1cc(C)ccc1C)[C@H]1CCCCS1	161436475	WFDCNEZPLFXUNK-SJORKVTESA-N	277.477	4.630	70	10	CJIE	
C[C@@H](NCCCC1CC1)c1cccc2ccccc12	161466654	JUINXRGRKFKEQA-CQSZACIVSA-N	253.389	4.681	70	10	CJIE	
CN[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1Cc1cccc(F)c1F	217751784	CMJAGXAGVHDYPD-OFQRWUPVSA-N	295.417	4.558	70	10	CJIE	
F[B-](F)(F)/C=C\c1cc(Cl)ccc1C(F)(F)F	393622994	ABAJKYRJYBVIBP-ARJAWSKDSA-N	273.392	4.759	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl	1885275925	YLLNHHDXNAHLEJ-YUMQZZPRSA-N	253.867	4.698	70	10	CJIE	
CC(C)=C(COc1ccc(Cl)c(F)c1)[B-](F)(F)F	2301964035	HJYUZGPCHPDTTQ-UHFFFAOYSA-N	281.465	4.581	70	10	CJIE	
CN[C@@H](c1cc(OC)cs1)c1c(C)ccc2ccccc12	160894254	RADUHMVZYTVNNF-SFHVURJKSA-N	297.423	4.527	70	10	CJIE	
Cc1cc([C@@H](C)Nc2ccc(C)c(N(C)C)c2)c(C)s1	161206626	FSNXZBYIRLOYAO-CYBMUJFWSA-N	288.460	4.912	70	10	CJIE	
CCNCc1oc2c(C(C)C)cccc2c1C1CC1	161370450	RBGIYMXBXZETOH-UHFFFAOYSA-N	257.377	4.543	70	10	CJIE	
CCCCCC[C@@H](C)O[C@@H](CC)[C@@H](O)c1ccccc1	218551653	RIOLCAONFIOZJW-NJAFHUGGSA-N	278.436	4.874	70	10	CJIE	
CC[C@@H]1CC[C@H](CN)[C@@H](c2ccc(C(C)C)cc2)C1	218650215	DFUJHJDTHXEQHW-ZTFGCOKTSA-N	259.437	4.679	70	10	CJIE	
CCCC[C@@H](CC)C[C@H](CNCCOC)C1CCCC1	160029783	JHEWZWINMZSPCN-SJLPKXTDSA-N	283.500	4.635	70	10	CJIE	
CN[C@H](c1ccc(F)cc1)c1c(C)ccc2ccccc12	160905604	FLCRPENWXGGLLZ-LJQANCHMSA-N	279.358	4.596	70	10	CJIE	
CCCOc1ccccc1C(=O)CC1=CCCCC1	161010056	CVXJHKFMFQJRKV-UHFFFAOYSA-N	258.361	4.549	70	10	CJIE	
Cc1ccc([C@H](C)Nc2ccc(C)c(N(C)C)c2)c(C)c1	161166098	SFHZFLXMBBISEZ-INIZCTEOSA-N	282.431	4.851	70	10	CJIE	
CCC[C@@H](C)[C@@H](Cc1ccc(C(C)(C)C)cc1)NC	161244556	IDNXARBPUXSFKA-RHSMWYFYSA-N	261.453	4.551	70	10	CJIE	
CCc1ccc([C@H](C)N[C@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)s1	217579064	IQCCJUFDJJGMEY-ZSNXKLHUSA-N	289.488	4.786	70	10	CJIE	
CC[C@H]1CC[C@@H](O)[C@@H](Cc2ccc(Cl)c(Cl)c2)C1	218283516	WKBMNCNOEXSZTQ-JVLSTEMRSA-N	287.230	4.723	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](c2cc(C)c(C)cc2C)C1	218711130	RHRBXRXJQKLZOT-LMMKCTJWSA-N	273.464	4.871	70	10	CJIE	
FC(F)(F)c1ccc(CCCCCBr)cc1	150279687	VPXLSHABAQCSHW-UHFFFAOYSA-N	295.142	4.813	70	10	CJIE	
Cc1ccc([C@H](C)N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1	159916329	LWRFISHVAYRIGS-HLLBOEOZSA-N	259.437	4.860	70	10	CJIE	
Cc1ccc(C)c([C@H](N)Cc2ccc(C(C)(C)C)cc2)c1	161258701	WXDFLOBWOSOUHU-LJQANCHMSA-N	281.443	4.843	70	10	CJIE	
CN[C@@H](Cc1ccc(C(C)(C)C)cc1)C1C(C)(C)C1(C)C	161276571	SVLUELGKIHSRQB-INIZCTEOSA-N	287.491	4.797	70	10	CJIE	
CCC[C@H]1CC[C@@H](N)[C@@H](CCCc2ccccc2)C1	217686874	OZTZMIWGOKMECJ-OKZBNKHCSA-N	259.437	4.553	70	10	CJIE	
CCc1ccccc1N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218073273	DXDIEHKUGKVFDT-QGPMSJSTSA-N	257.421	4.876	70	10	CJIE	
CC[C@H]1CCCC[C@H]1O[C@H](c1ccc(C)s1)[C@H](N)CC	218244593	SOEJEXTUWFFMOD-HWMZRRJGSA-N	295.492	4.820	70	10	CJIE	
Cc1ccc(C)c(C[C@H](O)c2ccccc2C2CCC2)c1	160026903	QAXKAXJRGZLDMQ-FQEVSTJZSA-N	280.411	4.847	70	10	CJIE	
COc1ccc(N[C@H]2CCc3ccc(C)cc32)cc1Cl	160752194	AMIKQIACOBMGHD-INIZCTEOSA-N	287.790	4.756	70	10	CJIE	
Cc1ccc2c(c1)[C@H](Nc1ccc3ncccc3c1)CC2	160823377	MDHMZDKOMHEVPS-LJQANCHMSA-N	274.367	4.643	70	10	CJIE	
CCN[C@H](CC(F)(F)F)c1c(C)ccc2ccccc12	160915020	OKIDYGUSPXKCII-CQSZACIVSA-N	281.321	4.751	70	10	CJIE	
CCOC1(C(=O)c2ccc(C(C)C)cc2)CCC(C)CC1	161000819	LNLXPBARGZUDNT-UHFFFAOYSA-N	288.431	4.978	70	10	CJIE	
CCC[C@H]1CC[C@@H](NC)[C@@H](Cc2cc(C)ccc2C)C1	217700254	WTOPLHJFONGABJ-QXAKKESOSA-N	273.464	4.650	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](CCCOc2ccccc2)C1	218737009	BMKICGJTZIGYAI-FGTMMUONSA-N	289.463	4.637	70	10	CJIE	
COc1cc(Cl)c([C@H]2C[C@@H]2[B-](F)(F)F)cc1Cl	2243330228	MNXQVEVSMUNUSU-VDTYLAMSSA-N	283.893	4.707	70	10	CJIE	
C=C(CCN(C)CC[C@@H]1CCCCC12CC2)[B-](F)(F)F	2264931245	MNGGHGYUVYNTOD-AWEZNQCLSA-N	288.186	4.612	70	10	CJIE	
Cc1cc(C)c(C)c([C@@H](N)c2cccc(C)c2Cl)c1C	160278420	OMVFRAOGLPZZAK-SFHVURJKSA-N	287.834	4.930	70	10	CJIE	
CCOC(=O)c1oc(C[C@H](C)CC(C)(C)C)nc1C(C)C	160403924	NUFWFBPMSCUQFP-LBPRGKRZSA-N	295.423	4.590	70	10	CJIE	
CCOC1(C(=O)C2CCC(CC)CC2)CCC(C)CC1	160998475	IWJDJNBXZOYHHM-UHFFFAOYSA-N	280.452	4.757	70	10	CJIE	
CCN[C@@H](CC1CCCCC1)c1c(F)ccc(C)c1F	161021107	ORFJEZUILPJTJW-HNNXBMFYSA-N	281.390	4.894	70	10	CJIE	
CCC[C@@H]1CC[C@H](NCC)[C@@H](Cc2cccc(C)c2)C1	217728845	GSNQSEQHCVBDFI-QRQLOZEOSA-N	273.464	4.732	70	10	CJIE	
CCCN[C@@H](c1ccc(C)cc1)[C@@H]1CCC[C@@H](C)C1	218030642	GOEUYLURGGXMKB-NXHRZFHOSA-N	259.437	4.862	70	10	CJIE	
CC[C@H]1CCCC[C@H]1[C@@H](N)c1cccc(Cl)c1F	218729828	FTRCOXOXIZYNDR-FIXISWKDSA-N	269.791	4.695	70	10	CJIE	
Cc1cccc([C@@H](O)c2cc3cc(Cl)ccc3o2)c1F	159378885	FTEKBTYVRUYFKF-MRXNPFEDSA-N	290.721	4.615	70	10	CJIE	
CN[C@@H]1C[C@H](C)CC[C@@H]1C(C)(C)[C@@H]1C[C@@H]1c1ccccc1	159537921	SOCMBMNWVMDYFT-IQZDNPOKSA-N	285.475	4.841	70	10	CJIE	
Cc1ccc([C@@H]2CNc3cccc(Cl)c3O2)c(C)c1	160550837	WHTNIAMDELUZGO-HNNXBMFYSA-N	273.763	4.502	70	10	CJIE	
CN[C@H](CC1CCCCC1)c1cccc(OC(C)C)c1	161030212	BSZRVXHPLMNVSR-GOSISDBHSA-N	275.436	4.705	70	10	CJIE	
CN[C@H](c1ccc(C)c(C)c1)c1cc2ccc(F)cc2s1	161136598	PFONJGAWBDDHDE-GOSISDBHSA-N	299.414	4.966	70	10	CJIE	
N[C@@H](CC1=CCCCC1)Cc1nc(-c2ccccc2)cs1	161184427	ZKEALCACAIDKDI-INIZCTEOSA-N	298.455	4.570	70	10	CJIE	
CC(C)c1ccc(C[C@@H](N)CC2=CCCCC2)cc1	161207684	JAFGSTUPBAIHFJ-SFHVURJKSA-N	257.421	4.570	70	10	CJIE	
CCCOc1cccc(N[C@@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c1	217622112	JSQAYJBLYUGUME-RKWNZTQVSA-N	285.431	4.712	70	10	CJIE	
Cc1c(F)cccc1N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218168215	ZROKXRXDDRKPMX-ISTRZQFTSA-N	261.384	4.761	70	10	CJIE	
CCCCCC[C@@H](C)O[C@@H](c1ccc(C)o1)[C@@H](N)CC	218258586	CCTFAWRARSZFBD-UKPHBRMFSA-N	281.440	4.742	70	10	CJIE	
CC[C@H](C)[C@H](c1ccccc1)[C@@H](O)c1sccc1C	218305272	SZIJFJDHOKIODG-APHBMKBZSA-N	274.429	4.920	70	10	CJIE	
CC(C)(C)/C=C/NC(=O)Nc1ccccc1C(C)(C)C	218566794	OILOVQCEAQPLLQ-VAWYXSNFSA-N	274.408	4.665	70	10	CJIE	
CCCN[C@H]1CC[C@@H](CCC)C[C@@H]1Oc1ccccc1F	218769707	HVSMSNTVOKPYDC-HFTRVMKXSA-N	293.426	4.542	70	10	CJIE	
CCCC[C@H](CC)OCC(=C(C)C)[B-](F)(F)F	1901633876	XFRSVRYHWZHKBG-NSHDSACASA-N	251.121	4.695	70	10	CJIE	
CC(C)=C(CN(C)[C@H](C)[C@]12CCCC[C@H]1C2)[B-](F)(F)F	2340129055	FEXWZZDEHMQWQI-VNHYZAJKSA-N	288.186	4.610	70	10	CJIE	
CNC[C@H](Cc1ccc(Cl)cc1)[C@H]1C[C@@H]1c1ccccc1	159395564	BARZJDZKWSITDA-QXAKKESOSA-N	299.845	4.522	70	10	CJIE	
CCCN[C@H](c1ccccc1)C1C2CC3CC(C2)CC1C3	160138726	OAHJRBMWAJKQPR-DQBYHPFJSA-N	283.459	4.800	70	10	CJIE	
Cc1oc(C)c([C@@H](N)Cc2ccc(Cl)cc2Cl)c1C	160460441	PYPVIXOCCAXLHA-AWEZNQCLSA-N	298.213	4.754	70	10	CJIE	
C1CC[C@@H]2C[C@H](N[C@@H]3C[C@@H]4C[C@H]3[C@@H]3CCC[C@@H]43)CC[C@@H]2C1	217643713	SVAXZDXSJJDZKL-YRXIJJJESA-N	287.491	4.760	70	10	CJIE	
CCC[C@@H](NCCN(CC)CCC)c1ccc(Cl)cc1	217670148	CWNPUKNMNHLEQH-QGZVFWFLSA-N	296.886	4.503	70	10	CJIE	
Cc1cc(Cl)c(N[C@H]2C[C@H]3CC=C[C@@H]23)c2cccnc12	218042209	JKIYTSHSGDPISL-JMSVASOKSA-N	284.790	4.573	70	10	CJIE	
O[C@H](c1cc2sccc2s1)[C@H]1C[C@H]1c1ccccc1	160065022	KEVWEJHRSDDMSA-MKBNYLNASA-N	286.421	4.800	70	10	CJIE	
Cc1ccc2c(c1)[C@@H](NCc1cc(C)c(F)c(C)c1)CC2	160834126	ZLHLHAGPHXWBQX-SFHVURJKSA-N	283.390	4.528	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc([C@@H](N)c3ccoc3)ccc21	161477458	VYOBYDWJULRLHI-QGZVFWFLSA-N	283.415	4.677	70	10	CJIE	
Cc1ccc(Cl)c2c(C3CC3)c(CNC3CC3)oc12	161495300	DPWXWFHEJUCENQ-UHFFFAOYSA-N	275.779	4.524	70	10	CJIE	
CCC[C@H]1CC[C@H](NCC)[C@@H](Cc2ccccc2F)C1	217723621	VZFMEHCSJCJXAN-LESCRADOSA-N	277.427	4.563	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCCNC1CCCCCC1	217891261	UADQOGYRVQNNAT-UHOSZYNNSA-N	295.511	4.776	70	10	CJIE	
F[B-](F)(F)/C=C/c1cc(C(F)(F)F)ccc1Cl	380912092	NBMUBFFUJAITJI-ONEGZZNKSA-N	273.392	4.759	70	10	CJIE	
CCc1c(C(C)=C[B-](F)(F)F)oc2ccccc12	1912963348	GJHIDJCRFXZSPN-UHFFFAOYSA-N	253.052	4.785	70	10	CJIE	
CCSCC[C@@H](C)N[C@H](C)CC(C)(C)c1ccccc1	160037752	YAVGRUXTOCOQED-HZPDHXFCSA-N	293.520	4.864	70	10	CJIE	
CCCN[C@@H](c1cncc(C)c1)C1CCC(CC)CC1	160984951	UIDXBMIHFFDONI-LEOMRAHMSA-N	274.452	4.647	70	10	CJIE	
Cc1ccc(N[C@@H](c2cccs2)C2CC2)cc1N(C)C	161151766	MJKSYJLRWCYRGC-QGZVFWFLSA-N	286.444	4.686	70	10	CJIE	
CCOC1(C(=O)c2cc(C)c(C)cc2C)CCCCCC1	161350696	ZHVGROZKTCEJIC-UHFFFAOYSA-N	288.431	4.924	70	10	CJIE	
CC(C)CNCc1oc2c(F)c(F)ccc2c1CC(C)C	161467638	DHKPGBFSSFOFRI-UHFFFAOYSA-N	295.373	4.655	70	10	CJIE	
CC(C)(C)[C@H]1CC[C@@H](O)[C@@H](C/C=C\c2ccccc2)C1	218306842	OWNRNUHIFBBYKM-FWJXCEPXSA-N	272.432	4.913	70	10	CJIE	
C[C@H]1CCCC[C@@H]1Oc1nc2ccccc2cc1CCl	20469273	QEMWWJXWKMUGPH-LRDDRELGSA-N	289.806	4.931	70	10	CJIE	
Cc1cc(F)ccc1C[C@H](O)C1(CC(C)C)CCCC1	159891682	JKWMALWNVVMSDT-KRWDZBQOSA-N	278.411	4.644	70	10	CJIE	
CCCc1c(CNC)oc2c([C@@H](C)CC)cccc12	161381174	PBBXUQJTZGBMLB-LBPRGKRZSA-N	259.393	4.618	70	10	CJIE	
CCCCN(CC)[C@H](CC)[C@@H](NCCC)c1ccccc1	218609282	VHDFJTVPOLOLBD-MOPGFXCFSA-N	290.495	4.628	70	10	CJIE	
CC[C@@H]1CC[C@@H](CN)[C@@H](Cc2ccc(C(F)(F)F)cc2)C1	218647893	QARCEHDKPVBLOZ-VHDGCEQUSA-N	299.380	4.649	70	10	CJIE	
C[C@@H](C[C@H](O)c1cc2cc(F)ccc2o1)C(C)(C)C	159419137	XUYDJRURPOWWRY-GWCFXTLKSA-N	264.340	4.678	70	10	CJIE	
CC(C)(C)[C@H]1CCC[C@@](O)(c2cccc3[nH]ccc23)CC1	159452830	LWSWBZJUHNMBME-LIRRHRJNSA-N	285.431	4.982	70	10	CJIE	
O[C@@H](c1ccc(OC2CC2)cc1)c1cc2ccccc2s1	159913503	BEWINSQOBUOBSL-SFHVURJKSA-N	296.391	4.524	70	10	CJIE	
Cc1ccc(C[C@@H](N)c2c(C)ccc3ccccc23)cc1	160838268	QIDTZUPNGFAMOF-LJQANCHMSA-N	275.395	4.699	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](N)c1ccccc1Cl	160850408	MWZOKVDHCQHDHU-GOSISDBHSA-N	281.786	4.850	70	10	CJIE	
Cc1ccc([C@@H](C)Nc2ccc(C)c(N(C)C)c2)c(C)c1	161165963	SFHZFLXMBBISEZ-MRXNPFEDSA-N	282.431	4.851	70	10	CJIE	
CCN[C@@H]1CC[C@@H](CC)C[C@@H]1Cc1cccc(Cl)c1	217671789	FNDCKKMOYIEKTN-FRFSOERESA-N	279.855	4.687	70	10	CJIE	
CCCN[C@H]1CC[C@H](CCC)C[C@@H]1Cc1cccs1	217736667	MBFXHDIJAOQCQS-UXLLHSPISA-N	279.493	4.875	70	10	CJIE	
CCCN[C@@H](c1ccc(F)cc1F)[C@@H]1CCC[C@@H](C)C1	218025169	GWBOBFTYAMAWNC-PBFPGSCMSA-N	281.390	4.832	70	10	CJIE	
CCc1cccc(C)c1N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	218091415	XNSTYBWSKILMOK-QXDIGNSFSA-N	269.432	4.794	70	10	CJIE	
C=CCC[C@@H](C)Oc1ccc2ccccc2c1[B-](F)(F)F	2158323638	KJSVGTNKXVBMCJ-GFCCVEGCSA-N	293.117	4.628	70	10	CJIE	
CC(C)=C(CN(C)CC1(C)CCCCC1)[B-](F)(F)F	2317837522	DCAQPZFAXATTSP-UHFFFAOYSA-N	276.175	4.612	70	10	CJIE	
CC1(C)CCC(CN2CC[C@@](C)([B-](F)(F)F)C2)CC1	2319747743	FLZDEWNFDKLIPF-CQSZACIVSA-N	276.175	4.516	70	10	CJIE	
CC(C)CNC[C@H](Cc1cc(F)ccc1F)C1CCCC1	160015607	GYTRYZIAOKASEV-INIZCTEOSA-N	295.417	4.559	70	10	CJIE	
CCc1ccc([C@H]2Oc3c(Cl)cccc3N[C@H]2C)cc1	160534474	WZMJDFBKYBFCDV-ZBEGNZNMSA-N	287.790	4.837	70	10	CJIE	
Fc1ccc([C@@H]2CNc3cccc(Cl)c3O2)cc1Cl	160540789	KQDGLPADTPENDD-ZDUSSCGKSA-N	298.144	4.678	70	10	CJIE	
CC[C@@H](Nc1ccc(C)c(N(C)C)c1)c1ccccc1	161191726	MKRUBGOTEMVPNI-QGZVFWFLSA-N	268.404	4.624	70	10	CJIE	
CCOC1(C(=O)c2ccc(C)c(C)c2)CCC(C)(C)CC1	161255228	SIVXMDWVMVUWQF-UHFFFAOYSA-N	288.431	4.862	70	10	CJIE	
CC[C@@H]1CC[C@@H](CN)[C@@H](c2ccccc2C(F)(F)F)C1	218676074	UZQJSPWEFLUBQY-DYEKYZERSA-N	285.353	4.574	70	10	CJIE	
Cc1cc(Br)sc1[C@@H]1C[C@@H]1[B-](F)(F)F	1882176520	HTQOWJMBHAMNEM-RITPCOANSA-N	283.929	4.524	70	10	CJIE	
Cc1ccc2cc(C=C[B-](F)(F)F)c(Cl)nc2c1	1912957578	WKJPOVVHZBIHMI-UHFFFAOYSA-N	270.470	4.596	70	10	CJIE	
CC(C)=C(CN(C)C1CCCCCCC1)[B-](F)(F)F	2317983283	NVKZOWXKCPYJFO-UHFFFAOYSA-N	276.175	4.754	70	10	CJIE	
CCNCc1sc([C@H]2CCC[C@@H](CC)C2)nc1C1CC1	159457710	PVAJVFKDEOICEW-OCCSQVGLSA-N	292.492	4.814	70	10	CJIE	
CCCc1cccc([C@@H](O)c2cc3sccc3s2)c1	159827756	GLZZEVZHLOVJJS-MRXNPFEDSA-N	288.437	4.997	70	10	CJIE	
Cc1cc(F)c([C@H](C)Nc2cccc(N(C)C)c2)cc1F	161070639	HAVNXZZFVDACDK-LBPRGKRZSA-N	290.357	4.512	70	10	CJIE	
CC1CCC(CCNC/C=C\c2ccccc2)CC1	217036724	WWVYYDSOKJNPCQ-YVMONPNESA-N	257.421	4.506	70	10	CJIE	
CC(C)[C@@H](N[C@H]1CCC[C@@H](C)[C@@H]1C)c1cccs1	217887804	VATACIGVZYOUDQ-ORIJERBGSA-N	265.466	4.860	70	10	CJIE	
CC[C@H]1CC[C@H](O)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	218283169	ATIWAGHHCFIDJY-LESCRADOSA-N	274.448	4.714	70	10	CJIE	
CCN(C1CCCCC1)[C@H]1C[C@H](C(C)(C)CC)CC[C@@H]1O	218520577	ZVFSMIDZNQISBF-NJAFHUGGSA-N	295.511	4.607	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@H]1c1ccc(Br)c(Cl)c1	1885275071	RKAQHVULSYEZKZ-BQBZGAKWSA-N	298.318	4.807	70	10	CJIE	
C=C(COC[C@@H]1C[C@@H]1C1CCCCCC1)[B-](F)(F)F	2080288056	KEIAUGSSRLWPLZ-UONOGXRCSA-N	275.143	4.552	70	10	CJIE	
C=C(CCN(C)[C@H](C)[C@H]1CCCC(C)(C)C1)[B-](F)(F)F	2112219469	DQDBMZDXUSYKOA-KGLIPLIRSA-N	290.202	4.856	70	10	CJIE	
CCN(CC(=C(C)C)[B-](F)(F)F)C1CCCCCC1	2317858847	KLWVOLJLIFRRBA-UHFFFAOYSA-N	276.175	4.754	70	10	CJIE	
C[C@@H](CN1CC[C@@](C)([B-](F)(F)F)C1)C1CCCCC1	2319713202	SUBRPDBBIKIDQB-GXTWGEPZSA-N	276.175	4.516	70	10	CJIE	
CN[C@H](C)c1ccc(Oc2ccc(F)cc2C)cc1Cl	160586103	XQMJVRVJPIUFSO-LLVKDONJSA-N	293.769	4.860	70	10	CJIE	
Cc1ccccc1C[C@H](C)NCc1ccc(Cl)cc1F	160775258	GVFXUGVPOTZKQE-ZDUSSCGKSA-N	291.797	4.508	70	10	CJIE	
CCc1ccc([C@@H](O)c2c(C)ccc3ccccc23)s1	160976837	YHPSCTIKNJBLOR-GOSISDBHSA-N	282.408	4.854	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)c1ccccc1C	161401086	MKBGNRVCGBYQLZ-SFHVURJKSA-N	257.421	4.926	70	10	CJIE	
CC(C)CNCc1oc2c(Cl)cc(F)cc2c1C1CC1	161437971	VYPMEIUAHKGJPY-UHFFFAOYSA-N	295.785	4.848	70	10	CJIE	
C1=C[C@@H]2[C@@H](C1)C[C@H]2Nc1ccc2c(c1)Cc1ccccc1-2	217822113	IJCBDHCQKOOYDE-VHKYSDTDSA-N	273.379	4.634	70	10	CJIE	
CC[C@@H]1CC[C@@H](CN)[C@@H](c2ccc3ccccc3c2)C1	218649771	DBZNPKPJYSBFMJ-MDASCCDHSA-N	267.416	4.708	70	10	CJIE	
C[C@H](CN1CC[C@H]2C[C@@]2([B-](F)(F)F)C1)C1CCCCC1	1879766976	IJAISDRETPHIJZ-VHDGCEQUSA-N	288.186	4.516	70	10	CJIE	
F[B-](F)(F)C=Cc1ccc(Cl)c(C(F)(F)F)c1	1911651826	ZJNXJKIEZIPMCH-UHFFFAOYSA-N	273.392	4.759	70	10	CJIE	
CCC(CC)(CNC(C)(C)C)[C@@H]1C[C@@H]1c1ccccc1	159426099	TZZXVTUEXTVDCV-IAGOWNOFSA-N	273.464	4.985	70	10	CJIE	
CC(C)Cc1nc([C@H]2CC[C@@H](C)C2)sc1CNC(C)C	159848814	QORMPQUJEZYLQV-KGLIPLIRSA-N	294.508	4.743	70	10	CJIE	
CCN[C@@H]1CC[C@H](CC)C[C@@H]1CCCOc1ccccc1	217662708	WSLGMFVMAUUWBI-JENIJYKNSA-N	289.463	4.650	70	10	CJIE	
O[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217871841	MHGSRTRVDNGNIG-TUJLLHNGSA-N	297.225	4.637	70	10	CJIE	
CCCC[C@@H](CC)CO[C@@H](C)[C@@H](O)c1ccc(CC)cc1	218555698	SUARDVUKELHDHX-KVSKMBFKSA-N	292.463	4.904	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(OC[C@@H](C)C2CCCCC2)c1	699787320	FVBFZGNHNLTBRJ-CYBMUJFWSA-N	299.165	4.645	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@@H]1c1cc(Cl)ccc1Cl	1885275357	UJWWAQLJWUQRTD-SVRRBLITSA-N	253.867	4.698	70	10	CJIE	
CCCCCCCCCCC[C@@H](C)S(=O)(=O)Cl	1951904336	FPTCJRIFHBUZEF-CYBMUJFWSA-N	282.877	4.864	70	10	CJIE	
F[B-](F)(F)C=Cc1ccc(OC(F)(F)F)c(Cl)c1	1995682102	RJPVAHLDECRSKA-UHFFFAOYSA-N	289.391	4.638	70	10	CJIE	
C=C(CCOC[C@@H]1C[C@@H]1C1CCCCCC1)[B-](F)(F)F	2135980350	QRDACFNGIWJHIX-LSDHHAIUSA-N	289.170	4.942	70	10	CJIE	
CC(C)=C(CN(C)CC1(C(C)(C)C)CCC1)[B-](F)(F)F	2340154334	IOBSXAGAVMPRCS-UHFFFAOYSA-N	290.202	4.858	70	10	CJIE	
CCCCC[C@@H](NC)C1(OCC)CCC(C)(C)CC1	159898647	YHFUQDIZDABSEU-OAHLLOKOSA-N	269.473	4.530	70	10	CJIE	
CN[C@H](C1=CCCCCC1)C1C2CC3CC(C2)CC1C3	160144911	OKYGOKXPWDEXQL-NFBBTKTMSA-N	273.464	4.537	70	10	CJIE	
CCO[C@]1(c2nc(Cl)cc(C(C)C)n2)CCC[C@@H](C)C1	160381027	XPHMVUQSQHYTRB-MLGOLLRUSA-N	296.842	4.695	70	10	CJIE	
CCOc1ccc(C(=O)CC2=CCCCC2)cc1OCC	161025604	CQOQNORFGCBGIV-UHFFFAOYSA-N	288.387	4.557	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)Cc1ccccc1Cl	161331363	WATLIMBWJQPJLS-MRXNPFEDSA-N	277.839	4.751	70	10	CJIE	
CC(C)c1ccc(C[C@H]2C[C@H](C(C)C)CC[C@H]2N)cc1	217769317	FAZZNHQPBUZBHU-CEXWTWQISA-N	273.464	4.752	70	10	CJIE	
C[C@H]1CCC[C@@H](N[C@H](c2ccccc2)C2CC2)[C@@H]1C	218077699	MWJOPUUVBKVYFT-MJSCVDMRSA-N	257.421	4.552	70	10	CJIE	
CC(C)(C)c1ccccc1NC(=O)N/C=C/C1CCCC1	218607278	XFTOLGRZPRGUON-OUKQBFOZSA-N	286.419	4.810	70	10	CJIE	
CC(C)[C@H]1CC[C@H](CN)[C@@H](CCSc2ccccc2)C1	218770116	QXMJYQHQDOIXSM-YESZJQIVSA-N	291.504	4.816	70	10	CJIE	
CC(=C[B-](F)(F)F)c1c(Cl)cccc1Cl	1912948937	ODRSTRJRDAMSLD-UHFFFAOYSA-N	253.867	4.783	70	10	CJIE	
O[C@H](CCC1CCCCC1)c1cc2cc(F)ccc2o1	159399694	WBHJUEXGGYCRFV-OAHLLOKOSA-N	276.351	4.966	70	10	CJIE	
CCSCC[C@@H](C)N[C@H](C)C12CC3CC(CC(C3)C1)C2	159971486	AQXJQTQHEKQFGW-QAICXNGDSA-N	295.536	4.713	70	10	CJIE	
CCN[C@@H](c1sccc1C)C1C2CC3CC(C2)CC1C3	160142185	YEJBZCVZLZBFEC-QXGXVAPBSA-N	289.488	4.779	70	10	CJIE	
c1ccc2cc(NC3=NCC4(CCCC4)CS3)ccc2c1	160230572	UESTXISBNDEYIO-UHFFFAOYSA-N	296.439	4.915	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](O)CC1CCCC1	160991483	WPBCVHOEJJWRPT-KRWDZBQOSA-N	254.373	4.762	70	10	CJIE	
CCc1ccc([C@@H](C)N[C@@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)s1	217578822	IQCCJUFDJJGMEY-FNRYRENCSA-N	289.488	4.786	70	10	CJIE	
Cc1ccc([C@]2(O)C[C@@H](C)CC[C@H]2C(C)C)c(C)c1	217864355	HPMSQVFVPMITAT-ZVZYQTTQSA-N	260.421	4.583	70	10	CJIE	
Cc1cc(C)c(NC(=O)N/C=C/c2cccc(F)c2)c(C)c1	217976210	LDBWATIVTQHDGH-BQYQJAHWSA-N	298.361	4.543	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(OCCCCCCC2CC2)c1	2234156920	UEGBXPVXCKELIU-UHFFFAOYSA-N	299.165	4.789	70	10	CJIE	
CCCC[C@H](CC)[C@@H](O)c1cc2cccc(F)c2o1	159491911	GNBWEQQCFITAOR-XHDPSFHLSA-N	264.340	4.822	70	10	CJIE	
CCNC[C@H](C[C@H]1C[C@@H]1c1ccccc1)c1ccccc1	159668770	WKDFNUMIFWXNFZ-SLFFLAALSA-N	279.427	4.574	70	10	CJIE	
CC(C)CCOCC[C@H](CNC(C)(C)C)C1CCCC1	160005661	WUXVFIFSTOWSEK-QGZVFWFLSA-N	283.500	4.634	70	10	CJIE	
Cc1ccc(C[C@H](N)c2c(C)ccc3ccccc23)cc1	160838135	QIDTZUPNGFAMOF-IBGZPJMESA-N	275.395	4.699	70	10	CJIE	
CC(C)c1ccc(C[C@@H](O)CC2=CCCCC2)cc1	161055087	RGUXWSRPCJVHQU-SFHVURJKSA-N	258.405	4.604	70	10	CJIE	
CCOC1(C(=O)c2cccc(Cl)c2)CCC(C)(C)CC1	161258009	VAJRYJKINIMSPJ-UHFFFAOYSA-N	294.822	4.898	70	10	CJIE	
CCCNCC1(C2=CCCCC2)CC(C(C)(C)C)C1	161450901	VUXHBOUJGDDMOE-UHFFFAOYSA-N	263.469	4.929	70	10	CJIE	
CN[C@H]1CC[C@H](C(C)C)C[C@@H]1Cc1ccccc1Cl	217793464	JOAIMRVDKLIUFE-LXZKKBNFSA-N	279.855	4.543	70	10	CJIE	
CC[C@H](N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)c1ccc(O)cc1	218071652	WLZANNIHWAHMMR-PCODUJHASA-N	287.447	4.648	70	10	CJIE	
CCc1ccc([C@@H](C)N[C@H]2CCC[C@@H](C)C2)s1	218105733	IRLWGXSKHWXCMP-UPJWGTAASA-N	251.439	4.540	70	10	CJIE	
FC(F)(F)c1ccc(N[C@@H]2C[C@H]3CC=C[C@H]32)c(Cl)c1	218168046	BCRATOBEMMKKIG-ZDSQKVDBSA-N	287.712	4.735	70	10	CJIE	
CCCN[C@H](C)CC(C)(C)[C@@H]1C[C@@H]1c1ccccc1	159537020	CJQSLZDNAVNECA-DJIMGWMZSA-N	259.437	4.595	70	10	CJIE	
CCSCC[C@H](C)N[C@H](c1ccc(C)cc1)C1CC1	160038521	CHOACOHSIDVYOF-WMLDXEAASA-N	277.477	4.567	70	10	CJIE	
Cc1ccc([C@@H](C)NCc2ccc(Cl)cc2F)c(C)c1	160771424	HFPGSWVYZBGDKX-CYBMUJFWSA-N	291.797	4.947	70	10	CJIE	
CN[C@H](c1cc(OC)cs1)c1c(C)ccc2ccccc12	160894127	RADUHMVZYTVNNF-GOSISDBHSA-N	297.423	4.527	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)C[C@@H]1Cc2ccccc21	161337264	FKNWYTYJDWXPAE-ROUUACIJSA-N	269.432	4.585	70	10	CJIE	
CC(C)CNCc1oc2c(F)ccc(F)c2c1C(C)C	161482549	XVZUIFOZCZXHPO-UHFFFAOYSA-N	281.346	4.580	70	10	CJIE	
CCC[C@H]1CC[C@@H](NCC)[C@@H](Cc2cc(F)ccc2F)C1	217718761	KOVZNYBEMPCBGP-JCKWVBRZSA-N	295.417	4.702	70	10	CJIE	
C[C@H]1CCCC[C@H]1CN[C@H](c1cccs1)C1CC1	218150391	AAMHEBGAASBSRA-NOLJZWGESA-N	263.450	4.615	70	10	CJIE	
Cc1cccc([C@H](O[C@@H]2C[C@@H](C)CC(C)(C)C2)[C@H](C)N)c1	218264505	LPYHUSZHHDCHNB-CYGHRXIMSA-N	289.463	4.615	70	10	CJIE	
C=C(CCSCC1CCC(C)CC1)[B-](F)(F)F	1899444563	RRTPTWFKDYLSNX-UHFFFAOYSA-N	265.173	4.879	70	10	CJIE	
C=C(CCN(C)[C@@H](C)c1ccc(Cl)cc1)[B-](F)(F)F	2044982980	ZEDQYFMXYSRXEB-NSHDSACASA-N	290.545	4.666	70	10	CJIE	
C=CCCCCCCCN1CCC[C@H]([B-](F)(F)F)C1	2220091167	FPLAGFMKKMEKTB-AWEZNQCLSA-N	276.175	4.826	70	10	CJIE	
CCCCCCCCCCCCCCOS(=O)(=O)F	2231024260	ZEHNPSQPJLBKKL-UHFFFAOYSA-N	296.448	4.918	70	10	CJIE	
Cc1cc(C)c(C[C@H](CNC(C)C)C2CCCC2)c(C)c1	159962290	UJPNTXSLDHFPQC-LJQANCHMSA-N	287.491	4.959	70	10	CJIE	
Cc1ccc(F)c([C@H](O)c2cccc(C3CCC3)c2)c1F	160211792	RCNLGJUJNAQESS-GOSISDBHSA-N	288.337	4.622	70	10	CJIE	
CCC(C)(C)[C@H](NC)c1c(C)ccc2ccccc12	160898102	CZOKLWCSUPUWSC-QGZVFWFLSA-N	255.405	4.845	70	10	CJIE	
CO[C@]1(C(=O)c2cccc(CC(C)C)c2)CCC[C@@H](C)C1	161022979	FWKHBDWUMHYVEC-DNVCBOLYSA-N	288.431	4.663	70	10	CJIE	
CN[C@H](CC1CCCCC1)c1ccccc1OC(F)F	161045390	HAJLWQQOFRAHPH-CQSZACIVSA-N	283.362	4.519	70	10	CJIE	
CC(C)NCc1oc2cc3c(cc2c1C(C)C)CCCC3	161452216	YOZFXQIGOXRVBF-UHFFFAOYSA-N	285.431	4.933	70	10	CJIE	
CC[C@@H]1CC[C@H](NC)[C@@H](Cc2c(C)cc(C)cc2C)C1	217648001	ALTFTXWVXKHNNV-LMMKCTJWSA-N	273.464	4.569	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCCN[C@@H]1CCCC[C@@H]1C	217892499	YPIOZBKYMSDEQH-FKSLSLAPSA-N	295.511	4.632	70	10	CJIE	
Fc1cc(N[C@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)ccc1Cl	217961543	CTWDGYDSGMSAEM-NDPRJGJWSA-N	279.786	4.716	70	10	CJIE	
CCCC[C@@H](CC)CO[C@@H](c1ccccc1F)[C@@H](N)CC	218271857	MPVOFVBSZQDDSD-JLSDUUJJSA-N	295.442	4.837	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	1885274460	LXTYCVOASHXPOQ-RQJHMYQMSA-N	253.867	4.698	70	10	CJIE	
O[C@H](Cc1cccc(F)c1F)c1cccc(C2CCC2)c1	160165798	CKZVDTYESCAWPR-QGZVFWFLSA-N	288.337	4.508	70	10	CJIE	
Cc1ccc2ccccc2c1C(=O)c1cc(F)cc(F)c1	160831818	LSYCJYQTKGUYNK-UHFFFAOYSA-N	282.289	4.657	70	10	CJIE	
Cc1ccc(C[C@H](C)NCc2ccc(Cl)cc2F)s1	160833391	HMUXSIKUNXNNOJ-JTQLQIEISA-N	297.826	4.570	70	10	CJIE	
CCN[C@H](c1c(C)ccc2ccccc12)C(F)(F)C(F)F	160925838	PNPAOAFXWOQZMF-CQSZACIVSA-N	299.311	4.699	70	10	CJIE	
CC[C@@H](C)c1ccccc1NC(=O)c1cccc(C)c1F	161396153	JEQJDTHYUISOCZ-GFCCVEGCSA-N	285.362	4.900	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NC)[C@@H](Cc2ccc(CC)s2)C1	217710919	JABGWPDMMUJJCY-CKEIUWERSA-N	279.493	4.657	70	10	CJIE	
CCCN[C@H](c1ccccc1)[C@@H](CC)N(C)[C@@H](C)CCC	218643210	MMDIUFFEJHUGMK-QXAKKESOSA-N	290.495	4.626	70	10	CJIE	
CCC[C@H]1CC[C@H](CN)[C@@H](Cc2ccc(C)c(C)c2)C1	218730463	QHMCPJUBPXUHKZ-QXAKKESOSA-N	273.464	4.637	70	10	CJIE	
CCCN[C@@H]1CC[C@@H](CCC)C[C@@H]1Oc1ccc(F)cc1	218774873	QHOAKELUEQRHJT-OLMNPRSZSA-N	293.426	4.542	70	10	CJIE	
CC(C)=C(CN(C)[C@@H]1CCC12CCCCC2)[B-](F)(F)F	2340146026	NWMUOJIVWDQRQC-CQSZACIVSA-N	288.186	4.754	70	10	CJIE	
BrCCCCCOc1cccc2c1CCCC2	34289648	FUGWTHJQZVQXKW-UHFFFAOYSA-N	297.236	4.509	70	10	CJIE	
CCC1CCC([C@@H](NC)c2c(Cl)cnn2C(C)C)CC1	160438118	TWKNERXAKVXXPB-SSDMNJCBSA-N	297.874	4.594	70	10	CJIE	
CSc1ccc([C@@H](N)Cc2ccc(C(C)(C)C)cc2)cc1	161290551	DJGANWCDIJUITG-SFHVURJKSA-N	299.483	4.949	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)[C@@H]1CCOC2(CCCC2)C1	161325608	ZTEKDZIMJWEBHW-MSOLQXFVSA-N	291.479	4.594	70	10	CJIE	
CCCN[C@@H](c1ccc(C)c(C)c1)[C@H]1CCCCS1	161426566	FSWYUPILXPUNKP-SJORKVTESA-N	277.477	4.630	70	10	CJIE	
CCCN[C@H]1CC[C@@H](CCC)C[C@@H]1Cc1cccs1	217736494	MBFXHDIJAOQCQS-INMHGKMJSA-N	279.493	4.875	70	10	CJIE	
COc1c(C)ccc(N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1C	218075013	HRDVZAJNRCZGJQ-SIXWZSSISA-N	287.447	4.939	70	10	CJIE	
Cc1ccc([C@H](O)CO[C@H]2C[C@H](C)CC[C@H]2C(C)C)cc1	218548609	FYNLEYXJECIYSQ-LULLPPNCSA-N	290.447	4.506	70	10	CJIE	
C[C@H]1CCCC[C@@H]1OC[C@@H](O)c1ccc(C(C)(C)C)cc1	218549024	TXCUGMFQTGSRQG-QGTPRVQTSA-N	290.447	4.613	70	10	CJIE	
CCCN[C@H]1CCC[C@@H](S[C@@H]2CCC[C@@H](C)C2)C1	218761173	NECHYZMZDYRERX-QKPAOTATSA-N	269.498	4.609	70	10	CJIE	
CC(C)C(CCN1CC[C@](C)([B-](F)(F)F)C1)C(C)C	2319747288	CFQQSLLDPVKAEH-AWEZNQCLSA-N	278.191	4.618	70	10	CJIE	
CCN[C@@H](c1ccc(F)c(C)c1)c1cccc(C)c1Cl	160320139	HEVJDENYDQXNDO-KRWDZBQOSA-N	291.797	4.795	70	10	CJIE	
CN[C@@H](CC1CCCCC1)c1cc(F)c(Cl)cc1F	161019308	BFRYLKWYWXOJDU-HNNXBMFYSA-N	287.781	4.849	70	10	CJIE	
N[C@H](CC1CCCCC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	161063309	YKEARDYXNLKKFK-BSDSXHPESA-N	263.469	4.891	70	10	CJIE	
CCNCC(C)(C)CCc1c(C)ccc2ccccc12	161113213	YCTLHPGTNWSMFX-UHFFFAOYSA-N	269.432	4.717	70	10	CJIE	
CCc1ccc(C[C@@H](NC)[C@H](CC)c2ccccc2)s1	161155430	ZNYDGRBFTVQVGB-QZTJIDSGSA-N	287.472	4.635	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)Cc1c(C)cccc1C	161366072	ZMMLPCLIBZQUNT-SFHVURJKSA-N	271.448	4.715	70	10	CJIE	
C[C@@H]1Cc2nc(C3CCCCCCC3)[nH]c2C[C@H]1C	216979175	AAAMPRCSLWOELR-CHWSQXEVSA-N	260.425	4.608	70	10	CJIE	
Cc1cccc(C(C)C)c1NC(=O)N/C=C/c1ccccc1	217614697	LZYSQSWPCCJAQA-OUKQBFOZSA-N	294.398	4.911	70	10	CJIE	
C[C@H]1CCC[C@@H](C)C1N[C@H](C)Cc1cccc(Cl)c1	217702641	XMOGBUIBPHLFLK-IAPGTGOOSA-N	279.855	4.685	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](c2ccc(Cl)cc2F)C1	218761570	UYFRPTRMQSTDKU-XUJVJEKNSA-N	283.818	4.738	70	10	CJIE	
CC(C)=C(CO[C@@H]1C[C@@H](C)CC(C)(C)C1)[B-](F)(F)F	2317997688	KMPHBTASEDYMRN-VXGBXAGGSA-N	277.159	4.941	70	10	CJIE	
CC(C)(C)c1ccc([C@@H]2CCNC[C@H]2C2CCCC2)cc1	160118297	ZRFKAQINLFEUHP-OALUTQOASA-N	285.475	4.867	70	10	CJIE	
CCc1ccc(C[C@@H](N)c2ccccc2C(F)(F)F)s1	161093417	UKCVZTGPZHWANJ-CQSZACIVSA-N	299.361	4.572	70	10	CJIE	
Clc1ccc(CSc2ccc(Cl)cn2)cc1	161213700	GKPVFNJQOKDVEV-UHFFFAOYSA-N	270.184	4.681	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1N[C@@H](C)C1CCCC1	217525091	XGXBAJXNGAUFCU-DIECFANBSA-N	251.458	4.616	70	10	CJIE	
C[C@H]1C[C@@H](N[C@H](c2ccccc2)C2CC2)CC(C)(C)C1	217733782	SDYXNZISEVTASG-BMGDILEWSA-N	271.448	4.942	70	10	CJIE	
CCN[C@@H](c1cccc(C)c1C)[C@H]1CCC[C@@H](C)C1	217994353	PPISTSSCKYWDLM-RPVQJOFSSA-N	259.437	4.780	70	10	CJIE	
CC(C)=C(COc1ccc2c(c1)CCCC2)[B-](F)(F)F	2340163358	TUEGYBHJERASEZ-UHFFFAOYSA-N	283.122	4.667	70	10	CJIE	
CC[C@@H](c1ccccc1)[C@H](Cc1ccc(Cl)s1)NC	160880275	FFMOJRFVCNQSEW-GJZGRUSLSA-N	293.863	4.726	70	10	CJIE	
CC(C)Cc1cccc([C@H](O)CC2=CCCCC2)c1	161054190	VMKFAIAKPKTGJF-GOSISDBHSA-N	258.405	4.809	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@H]1N[C@H](C)Cc1cccs1	216628529	SWGBOAVWMSSFJO-XOSAIJSUSA-N	279.493	4.730	70	10	CJIE	
CCN[C@@H]1CC[C@H](CC)C[C@@H]1Cc1ccc(CC)cc1	217663938	WDNRWAUAGFZTOW-QXAKKESOSA-N	273.464	4.596	70	10	CJIE	
CCN(C(=O)N/C=C/c1cccc(C)c1)c1cccc(C)c1	217912705	HSYJHIMPKJMXBP-VAWYXSNFSA-N	294.398	4.510	70	10	CJIE	
Cc1ccc([C@@H](C)N[C@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1C	218013742	RMVBURUNCHBVJR-LKERMYKISA-N	283.459	4.779	70	10	CJIE	
CCCN[C@H](c1cccc(OC)c1)[C@H]1CCC[C@@H](C)C1	218027165	XBBPVLYTTJYRKQ-VKJFTORMSA-N	275.436	4.562	70	10	CJIE	
COc1ccc(N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1Cl	218057642	MKYIRLMXEBGAKD-XQAQDONZSA-N	293.838	4.975	70	10	CJIE	
CCCCCC[C@@H](C)O[C@@H](c1cccc(F)c1)[C@@H](N)CC	218256993	IOAHMEFWPIXXBH-JLSDUUJJSA-N	295.442	4.980	70	10	CJIE	
C[C@@H]1CCC[C@@H](O[C@@]2(CNC(C)(C)C)CCC[C@@H](C)C2)C1	218762364	OUFTWIURIYYFMU-MTNOOBJLSA-N	295.511	4.919	70	10	CJIE	
CC(C)=C(COC1CC(C(C)(C)C)C1)[B-](F)(F)F	2301867090	NSJTVNWLILCYRN-UHFFFAOYSA-N	263.132	4.551	70	10	CJIE	
CC(C)Cc1cccc([C@@H](O)C2C(C)(C)C2(C)C)c1	159848773	HARJKXCKBFLKCM-OAHLLOKOSA-N	260.421	4.601	70	10	CJIE	
CCSCC[C@@H](C)NCc1ccc(-c2ccccc2)cc1	159989581	NSCAUYZBVKXBMA-MRXNPFEDSA-N	299.483	4.975	70	10	CJIE	
CCCCCC(CCCCC)NCC1(N(C)C)CCCC1	160708323	JECNHDDMAXWSJT-UHFFFAOYSA-N	296.543	4.980	70	10	CJIE	
CN[C@H](c1c(C)ccc2ccccc12)[C@H](C)C(C)C	160887521	SQJBYHHJJVJMDP-KDOFPFPSSA-N	255.405	4.701	70	10	CJIE	
CCCc1c(CNC2CC2)oc2c(C)cc(Cl)cc12	161178500	SCFFTCLEODSCCB-UHFFFAOYSA-N	277.795	4.599	70	10	CJIE	
CN[C@@H](c1ccc2ccccc2c1)[C@H]1CCC[C@@H](C)C1	217960861	BTEVGURQJPEORX-DKSSEZFCSA-N	267.416	4.927	70	10	CJIE	
CC[C@H](N)[C@@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccsc1	218264258	AEZHGPQEMQCJJO-OJLVUWQFSA-N	295.492	4.758	70	10	CJIE	
CCCCN([C@@H](C(C)C)[C@@H](O)c1ccccc1)[C@H](C)CC	218533670	QQWRUQDJURSNIW-NEWSRXKRSA-N	291.479	4.645	70	10	CJIE	
CC[C@H]1CC[C@H](CN2CC[C@H]3C[C@]3([B-](F)(F)F)C2)CC1	1879766504	FRHKDTOPBZGMTH-AJNGGQMLSA-N	288.186	4.516	70	10	CJIE	
CC(C)(C)C1CCC(N2CCC([B-](F)(F)F)CC2)CC1	2231071793	JBAHOEFSYGSCKO-UHFFFAOYSA-N	290.202	4.905	70	10	CJIE	
CC(C)=C(COCc1ccc(C)c(C)c1)[B-](F)(F)F	2317862667	CAIOPMQRPZSWLN-UHFFFAOYSA-N	271.111	4.543	70	10	CJIE	
CSc1ccccc1[C@H](N)c1c(C)ccc2ccccc12	160836637	YAWFBWVACYFISE-IBGZPJMESA-N	293.435	4.918	70	10	CJIE	
Cc1cccc(NC(=O)Nc2c(C)cc(C)cc2Cl)c1	217304735	CGEUXZRQCZEVOY-UHFFFAOYSA-N	288.778	4.909	70	10	CJIE	
CCN[C@@H](c1cc(Cl)ccc1OC)[C@H]1CCC[C@@H](C)C1	217978080	DHLXFIRMVIPPRQ-IIYDPXPESA-N	295.854	4.826	70	10	CJIE	
CC(C)Cc1ccc([C@H](O)CO[C@H]2CCC[C@@H](C)C2)cc1	218559784	RVAHQSLDVCZXPG-AYOQOUSVSA-N	290.447	4.514	70	10	CJIE	
CCNC[C@@H](O[C@H]1CCC[C@@H](C)C1)c1cccc(Cl)c1	218760545	HSCDBIKDQZJYRR-XOKHGSTOSA-N	295.854	4.586	70	10	CJIE	
C=C(CCN1CCCC[C@@H]1c1cccs1)[B-](F)(F)F	2051779773	KXBNEFBNYDLAEF-GFCCVEGCSA-N	288.167	4.608	70	10	CJIE	
C=C(CCOc1ccc2c(c1)CCC(C)(C)O2)[B-](F)(F)F	2184177939	UWSIYZWVAQJSEP-UHFFFAOYSA-N	299.121	4.502	70	10	CJIE	
CC(C)=C(COc1ccc(F)cc1Cl)[B-](F)(F)F	2301864673	PUCBZPFASPFYHN-UHFFFAOYSA-N	281.465	4.581	70	10	CJIE	
CCCN[C@H](CC(C)(C)C)c1c(Cl)cnn1C(C)C	159738033	CYUSIDJJVGUAMK-CYBMUJFWSA-N	285.863	4.594	70	10	CJIE	
CCCC[C@H](CC)C[C@@H](CNCCOC)C1CCCC1	160029606	JHEWZWINMZSPCN-WMZOPIPTSA-N	283.500	4.635	70	10	CJIE	
CC(C)(C)c1ccc([C@@H]2CCNC[C@@H]2C2CCCC2)s1	160125665	VWALFMFGQPJXIT-HUUCEWRRSA-N	291.504	4.929	70	10	CJIE	
CC[C@H]1CC[C@H](N)[C@@H](Cc2ccc(Cl)c(Cl)c2)C1	217638157	UWJUFGZCBQHCAO-NVBFEUDRSA-N	286.246	4.690	70	10	CJIE	
Cc1ccc(OCC[C@@H]2CCC[C@H](C)C2)c([B-](F)(F)F)c1	2279817367	QATBPVSYTXDDOL-JSGCOSHPSA-N	299.165	4.645	70	10	CJIE	
Cc1ccccc1C[C@@H](N)c1c(C)ccc2ccccc12	160867592	HQCICGOVXKZFFM-LJQANCHMSA-N	275.395	4.699	70	10	CJIE	
N[C@H](CC1CCCCC1)c1ccc(OC(F)(F)F)cc1	161042483	NWBIKBXEJYNXNI-CQSZACIVSA-N	287.325	4.555	70	10	CJIE	
N[C@@H](CC1=CCCCC1)Cc1csc2ccccc12	161210828	VHTWCGYSJPJSJL-HNNXBMFYSA-N	271.429	4.662	70	10	CJIE	
Cc1ccc(C(C)C)c2c(CC(C)C)c(CN)oc12	161444144	VZFDYUJRKVRXHM-UHFFFAOYSA-N	259.393	4.522	70	10	CJIE	
CN[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1CCC(C)(C)C	217768598	AJZVNEITQNHQMS-FGTMMUONSA-N	273.464	4.985	70	10	CJIE	
O=C(N/C=C/C1CCCCC1)Nc1ccc(Cl)cc1	218634922	ILBADSNXQQRCSI-ZHACJKMWSA-N	278.783	4.556	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(OCC2CCC(C)(C)CC2)c1	699794883	YYDPUAINULGQRU-UHFFFAOYSA-N	299.165	4.645	70	10	CJIE	
CC(C)=C(COC[C@H]1C[C@@H]1c1ccccc1)[B-](F)(F)F	2340165222	ZDTNTOCWPIPZEP-ZIAGYGMSSA-N	283.122	4.530	70	10	CJIE	
CCCNc1cc(Oc2ccc3ccccc3c2)ccn1	159373460	RJWYBNCQIPFBGS-UHFFFAOYSA-N	278.355	4.849	70	10	CJIE	
CC(C)NCC1([C@H]2C[C@@H]2c2ccccc2)CCCCC1	159409271	OXVFRIBNSNUFLL-MSOLQXFVSA-N	271.448	4.739	70	10	CJIE	
Cc1cccc(C(C)C)c1NC(=O)NCCC1=CCCC1	159953998	OWBBJSSSNQPTMD-UHFFFAOYSA-N	286.419	4.740	70	10	CJIE	
CCCC[C@](CC)(CNCCC)C[C@@H]1CCC(C)(C)O1	160905187	XWCJIDNSMLWPRE-WMZOPIPTSA-N	283.500	4.920	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)s1)c1c(C)oc(C)c1C	161102190	BZWQZKMJGZRFSN-MRXNPFEDSA-N	291.460	4.722	70	10	CJIE	
CCOC1(C(=O)c2ccc(F)c(C)c2)CCC(C)(C)CC1	161255446	OLOIINCFWCKRSD-UHFFFAOYSA-N	292.394	4.692	70	10	CJIE	
CCC[C@H]1CC[C@H](N)[C@@H](Cc2ccc(C(F)(F)F)cc2)C1	217686728	SDWJMMLBROYJAE-BJJXKVORSA-N	299.380	4.792	70	10	CJIE	
FC(F)(F)C(F)(F)CCCCSCCCCl	148337651	FCRZXSXNUXBLQO-UHFFFAOYSA-N	284.721	4.716	70	10	CJIE	
N[C@@H](c1cccc(Cl)c1)c1cc2cccc(Cl)c2o1	159909895	VHLWNRRKUHARIJ-AWEZNQCLSA-N	292.165	4.788	70	10	CJIE	
COc1cc(N[C@H](C)c2ccc(C)cc2C)ccc1F	160114437	SZPBRCOYTROWOQ-CYBMUJFWSA-N	273.351	4.624	70	10	CJIE	
CN[C@@H](c1sccc1C)c1c(C)ccc2ccccc12	160897465	MFKKQBBZVXFANG-QGZVFWFLSA-N	281.424	4.827	70	10	CJIE	
C[C@@H]1CCC[C@@H](NCCSCc2ccc(Cl)cc2)C1	160971378	QMPLYFSPLQGPHJ-CZUORRHYSA-N	297.895	4.742	70	10	CJIE	
CCOC1(C(=O)CCCC(F)(F)F)CCC(C)(C)CC1	161241873	UJLKRYJWLVGNFQ-UHFFFAOYSA-N	294.357	4.664	70	10	CJIE	
c1ccc(-c2ccc(N[C@H]3C[C@H]4CC[C@H]3C4)cc2)cc1	217545571	CPLZYHWLLWDDLF-FNHZYXHNSA-N	263.384	4.954	70	10	CJIE	
CCC[C@@H]1CC[C@H](NCC)[C@@H](Cc2cc(F)ccc2F)C1	217718860	KOVZNYBEMPCBGP-SIIHOXLZSA-N	295.417	4.702	70	10	CJIE	
CCOCc1ccccc1N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218085871	CTAYLGKULFSQBJ-SZVBFZGTSA-N	287.447	4.850	70	10	CJIE	
CC[C@H]1CC[C@@H](CN)[C@@H](Cc2ccc(C(C)C)cc2)C1	218633852	APZHMWBNDGXWHL-ZYSHUDEJSA-N	273.464	4.754	70	10	CJIE	
CCCCCN(C(C)C)[C@H](C(C)C)[C@@H](N)c1ccccc1	218689918	KEHBVVVUTWZEPW-RBUKOAKNSA-N	290.495	4.612	70	10	CJIE	
CCCCCN(C(C)C)[C@@H](CC)[C@@H](NC)c1ccccc1	218690808	JTCBILJXDOTIIV-OALUTQOASA-N	290.495	4.626	70	10	CJIE	
CCCC[C@H](CC)CO[C@]1(CNC2CC2)CCC[C@@H](C)C1	218755778	JQFMUAHQNKAZGZ-ZIFCJYIRSA-N	295.511	4.920	70	10	CJIE	
C=C(CCSC[C@@H](CC(C)(C)C)OC)[B-](F)(F)F	2250058529	PABAATIXTRROMC-LLVKDONJSA-N	283.188	4.504	70	10	CJIE	
Cc1ccc(N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1N(C)C	161203503	PEXRNASDIWJYCT-ZTFGCOKTSA-N	288.479	4.934	70	10	CJIE	
CN[C@H](CC1=CCCCC1)c1cccc2ccccc12	161269143	MUNPKMVAAAJHDN-LJQANCHMSA-N	265.400	4.991	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc([C@H](N)c3ccoc3)ccc21	161477325	VYOBYDWJULRLHI-KRWDZBQOSA-N	283.415	4.677	70	10	CJIE	
CCC[C@@H]1CC[C@H](NCC)[C@@H](CCOCCC(C)C)C1	217717155	LDLGMLITJBOLFA-SQNIBIBYSA-N	283.500	4.634	70	10	CJIE	
CCCCCC[C@@H](C)O[C@H](c1ccccc1F)[C@@H](N)CC	218260204	WLALRODTTGJVNU-FHLIZLRMSA-N	295.442	4.980	70	10	CJIE	
CCCCCC[C@@H](C)O[C@@]1(CNCC)CCC[C@@H](C)C1	218757125	QDNQCPTZRFQTGD-KURKYZTESA-N	283.500	4.920	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OC[C@@H]1CCC[C@H](C)C1	2197461435	LZWLMRCFZOKOIQ-QWHCGFSZSA-N	299.165	4.509	70	10	CJIE	
CC(C)=C(COc1cccc(C(C)C)c1)[B-](F)(F)F	2317856985	AGLJURLSFWTMNW-UHFFFAOYSA-N	271.111	4.912	70	10	CJIE	
CC1(C)CCC[C@@H](CN2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)C1	2333106401	HAJTXTRHBVTNAY-NFAWXSAZSA-N	288.186	4.516	70	10	CJIE	
Cc1cc(F)ccc1C[C@H](O)c1cc2ccccc2s1	159880061	HIBQYDKKIDAUFL-HNNXBMFYSA-N	286.371	4.625	70	10	CJIE	
C[C@@H](N[C@H]1CCC[C@@H](C2CC2)C1)c1ccc(Cl)cc1	159963486	CMJGCLIJMHELFZ-VMGRFDJRSA-N	277.839	4.959	70	10	CJIE	
O[C@H](CC1=CCCCC1)C[C@@H]1CCCc2ccccc21	161099375	LUCYXZOKPKOGJM-ZWKOTPCHSA-N	270.416	4.748	70	10	CJIE	
Cc1ccc(F)c([C@@H](N)Cc2ccc(C(C)(C)C)cc2)c1	161253786	YEYVRJLQCABXLI-SFHVURJKSA-N	285.406	4.674	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1Cc1cc(F)ccc1F	217754682	ZUDWLERTTKFXRO-JJRVBVJISA-N	295.417	4.558	70	10	CJIE	
CCNC[C@@]1(O[C@@H]2C[C@@H](C)CC(C)(C)C2)CCC[C@@H](C)C1	218753838	ICPRFPWLISHQDZ-YWTNHNAXSA-N	295.511	4.776	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](CN)[C@@H](c2ccc(C(F)(F)F)cc2)C1	218781070	AHJOJFVWXYLSQT-IJEWVQPXSA-N	299.380	4.820	70	10	CJIE	
CC(C)=C(CN1C[C@H](C)C[C@H]2CCCC[C@@H]21)[B-](F)(F)F	2340138812	KQEFKFFBMMPJSS-NFAWXSAZSA-N	288.186	4.610	70	10	CJIE	
CC(C)(C)[C@@H]1CCC[C@](O)(c2cccc3[nH]ccc23)CC1	159452448	LWSWBZJUHNMBME-AUUYWEPGSA-N	285.431	4.982	70	10	CJIE	
CC(C)(C)[C@](F)(CN)c1ccc(-c2ccccc2)cc1	159487513	GSOKPNDGRVUJQH-SFHVURJKSA-N	271.379	4.523	70	10	CJIE	
CC(C)[C@@H]1Nc2cccc(Cl)c2O[C@H]1c1ccccc1	160532654	WXFYSHMEQDVDSR-HOTGVXAUSA-N	287.790	4.910	70	10	CJIE	
CCCN[C@H](c1ccccc1)[C@H](C)C[C@@H]1CCC(C)(C)O1	160600973	VPGCAFWSMSESHU-NJAFHUGGSA-N	289.463	4.711	70	10	CJIE	
Fc1cc(Cl)cc(CNC23CC4CC(CC(C4)C2)C3)c1	160794494	VPRNXCCACWHZAX-UHFFFAOYSA-N	293.813	4.538	70	10	CJIE	
O=C(CC1=CCCCC1)c1ccccc1OC(F)(F)F	161004643	CMKAJHCQFGLOSM-UHFFFAOYSA-N	284.277	4.658	70	10	CJIE	
CC[C@H](Nc1cccc(N(C)C)c1)c1ccc(Cl)cc1	161101270	ITLMAGZQKOWJHU-KRWDZBQOSA-N	288.822	4.969	70	10	CJIE	
CCCOc1ccc2oc(CNCC)c(CC(C)C)c2c1	161314851	TZCJUKHKNUEMMQ-UHFFFAOYSA-N	289.419	4.530	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1cc(C)ccc1C	161348807	SAWIEVPYIHXHHU-SFHVURJKSA-N	257.421	4.845	70	10	CJIE	
Clc1ccc([C@@H](NCCCC2CC2)c2ccco2)s1	161403857	VVKZGUCFVVAZIA-HNNXBMFYSA-N	295.835	4.864	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)c1ccc(F)c(F)c1	161429917	IKMRCAREMCBYRS-KRWDZBQOSA-N	279.374	4.896	70	10	CJIE	
Clc1ccc(-c2cccc3c2NCC3)c(Cl)c1	217040454	MKZOKKKVRQJDRK-UHFFFAOYSA-N	264.155	4.628	70	10	CJIE	
C[C@H]1CCC[C@@H](C)C1N[C@H](c1ccccc1)C1CC1	217735184	PBLSOFYUJVTINU-TURZLHOUSA-N	257.421	4.552	70	10	CJIE	
C[C@@H]1CCC(=C[B-](F)(F)F)[C@H](OCc2ccccc2)C1	1953545326	XUNZOLVIDXYBJF-IUODEOHRSA-N	283.122	4.705	70	10	CJIE	
C[C@@H]1C[C@@H]1CCCCCN1CCC([B-](F)(F)F)CC1	2257294844	YMGSDXYBFIMVJS-OLZOCXBDSA-N	276.175	4.516	70	10	CJIE	
CSc1ccc([C@H](O)c2cccc(C3CCC3)c2)cc1	160163342	DQNCJHQAPSPUQZ-SFHVURJKSA-N	284.424	4.758	70	10	CJIE	
O[C@H](c1cccc(C2CCC2)c1)[C@H]1C[C@@H]1c1ccccc1	160176256	GYKVQCJMHNNFEL-HSALFYBXSA-N	278.395	4.791	70	10	CJIE	
Cc1cccc([C@H](O)c2ccc(CC(C)C)cc2)c1Cl	160412606	SFRNPXDKKNHELD-GOSISDBHSA-N	288.818	4.929	70	10	CJIE	
Cc1ccc2c(c1)[C@H](N[C@@H](c1ccccc1)C(C)C)CC2	160780127	CSVZQLJOPYVENK-WOJBJXKFSA-N	279.427	4.969	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1N[C@@H]1CCC[C@@H](C)C1	216625919	HZFQBBGNKXUZEF-MTSZKFMLSA-N	251.458	4.616	70	10	CJIE	
Cc1cc(F)ccc1CN[C@H]1C[C@@H](C)CC[C@H]1C(C)C	217523321	ZQFUUWUFVPCPJF-KKXDTOCCSA-N	277.427	4.685	70	10	CJIE	
CN[C@@H](c1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@@H](C)C1	217960483	NFMDLEFKWFDEST-LALPHHSUSA-N	285.353	4.792	70	10	CJIE	
C[C@H](N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1	218072428	SBAUBHJLBAGASB-OWIUFQIYSA-N	263.469	4.760	70	10	CJIE	
CC[C@H](N)[C@H](O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)c1ccco1	218105962	BXPVVDQZETUMRW-FZMWSMFESA-N	293.451	4.535	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1O[C@H](c1cccc(Cl)c1)[C@@H](C)N	218243368	WTWHCHVRCZWDPJ-OQUILHJVSA-N	295.854	4.714	70	10	CJIE	
CNC[C@]1(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CCC[C@@H](C)C1	218750029	MNIFWUDETARDFM-VHPHOLNESA-N	295.511	4.632	70	10	CJIE	
CC(C)Oc1ccc([C@H]2C[C@H](C(C)C)CC[C@@H]2CN)cc1	218773776	GQVZCNFQNGPETI-ZHALLVOQSA-N	289.463	4.588	70	10	CJIE	
FC(F)(F)c1cccc(CCCCCBr)c1	143874364	AJTCGUHIXMHTFW-UHFFFAOYSA-N	295.142	4.813	70	10	CJIE	
CC(C)NC[C@H](Cc1ccc2c(c1)CCC2)C1CCCC1	159964215	ZNKKCUWNYUGMDT-FQEVSTJZSA-N	285.475	4.522	70	10	CJIE	
CCN[C@@H](CC1CCCCC1)c1cc(C)ccc1F	161011538	VNWVAHHWFWZIEK-KRWDZBQOSA-N	263.400	4.755	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)Cc1cccc(C)c1	161404037	JPMGMCQEFXCGFK-LJQANCHMSA-N	271.448	4.796	70	10	CJIE	
Cc1ccc(N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1F	218072963	QOLOXDMHWGASGD-ISTRZQFTSA-N	261.384	4.761	70	10	CJIE	
CN[C@@H]1C[C@H](C)CC[C@@H]1C(C)(C)Cc1cc(F)ccc1C	218330173	RFJXJEHMVVQDOE-JEBQAFNWSA-N	291.454	4.727	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	1885275480	VHHPRDVUSXBNAS-BDAKNGLRSA-N	253.867	4.698	70	10	CJIE	
CNC[C@H](Cc1ccc(Cl)cc1)[C@@H]1C[C@@H]1c1ccccc1	159395349	BARZJDZKWSITDA-UHOSZYNNSA-N	299.845	4.522	70	10	CJIE	
Cc1cc(Cl)cc([C@@H](N)Cc2ccc(F)cc2Cl)c1	160632815	ITROWECYFYLNRK-HNNXBMFYSA-N	298.188	4.683	70	10	CJIE	
CC[C@H](c1ccccc1)[C@@H](Cc1ccc(Cl)s1)NC	160880153	FFMOJRFVCNQSEW-HUUCEWRRSA-N	293.863	4.726	70	10	CJIE	
O[C@@H](CC1=CCCCC1)c1cccc2ccccc12	161072909	JHFQOMOIIGHQDF-SFHVURJKSA-N	252.357	4.764	70	10	CJIE	
CCC1CCC(CNCc2coc3ccccc23)CC1	161093918	JPKCFCPUHSQOEY-UHFFFAOYSA-N	271.404	4.739	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)Cc1cc(C)ccc1C	161364435	KXAYOPGQQLAROZ-LJQANCHMSA-N	271.448	4.715	70	10	CJIE	
Cc1ccc(C(C)C)c2oc(CN)c(C(C)(C)C)c12	161406096	OHMUPXOQQMGOBW-UHFFFAOYSA-N	259.393	4.621	70	10	CJIE	
CCCNCc1oc2c(Cl)cc(F)cc2c1CCC	161441684	PISOHINOQJYHIO-UHFFFAOYSA-N	283.774	4.677	70	10	CJIE	
CCCN[C@H](C)c1cc(F)ccc1N1CCC[C@@H](CC)C1	218407437	DYKXZOXMMIMTDH-HUUCEWRRSA-N	292.442	4.513	70	10	CJIE	
CCCCN([C@H](C)CC)[C@@H]1CCCCCC[C@@H]1NCC	218699436	LYRLBTWCJTXXNR-FGTMMUONSA-N	282.516	4.588	70	10	CJIE	
CCN[C@H](CO[C@H]1CCCC[C@@H]1CC)c1ccc(C)cc1	218783014	DMLUQWRMNGLHSF-UHOSZYNNSA-N	289.463	4.631	70	10	CJIE	
CCCC[C@@H](CC)COCC(=C(C)C)[B-](F)(F)F	2301964798	NKMUMIZIVNVDRJ-GFCCVEGCSA-N	265.148	4.942	70	10	CJIE	
CCCC[C@@H](CC)CN1CC[C@](C)([B-](F)(F)F)C1	2303159949	SGYSSENJUGCJTH-OLZOCXBDSA-N	264.164	4.516	70	10	CJIE	
CC(C)=C(COc1cc(C)cc(C)c1C)[B-](F)(F)F	2317997187	GEQUUKLUIFEWOI-UHFFFAOYSA-N	271.111	4.714	70	10	CJIE	
C[C@H]1CCC[C@@H](c2nc(C3CC3)c(CNC3CC3)s2)C1	159576750	IEBDHZOMQGAAGV-WCQYABFASA-N	290.476	4.566	70	10	CJIE	
CC(C)[C@H]1Nc2cccc(Cl)c2O[C@H]1c1ccccc1	160532513	WXFYSHMEQDVDSR-CVEARBPZSA-N	287.790	4.910	70	10	CJIE	
CCc1ccc([C@H](C)N[C@H]2CCCC[C@H]2CC)cc1	217850181	KNNMBTGCMPDFCC-LESCRADOSA-N	259.437	4.868	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@H]1c1c(Cl)cccc1Cl	1885273571	DCKZKXNCRGVLER-PHDIDXHHSA-N	253.867	4.698	70	10	CJIE	
CCCN[C@H](CCC)C1(OCC)CCC(C)(C)CC1	159900231	RQMACIHXCOFZNG-OAHLLOKOSA-N	269.473	4.530	70	10	CJIE	
CC[C@@H]1CCC[C@H](Nc2ccc(F)c(OC)c2)CC1	160037890	RAQZKSRYYYNDOY-OLZOCXBDSA-N	265.372	4.605	70	10	CJIE	
CC(C)(C)c1ccc([C@]2(O)C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)cc1	217872581	YCWSABIMTBNOBV-QTUIHCGYSA-N	284.443	4.628	70	10	CJIE	
CCCN[C@@H](c1cccc(C)c1)[C@H]1CCC[C@@H](C)C1	218029851	SUEJXVIXTBAQKB-NJAFHUGGSA-N	259.437	4.862	70	10	CJIE	
CC(C)=C(CSC[C@H]1CC12CCC2)[B-](F)(F)F	1901704274	XJENMHHWFZSXAI-SNVBAGLBSA-N	263.157	4.633	70	10	CJIE	
CC(C)(C)NCc1sc(-c2ccccc2)nc1C1CC1	159623106	WCWYORLMXOOXMQ-UHFFFAOYSA-N	286.444	4.576	70	10	CJIE	
Cc1cccc([C@@H](C)N[C@@H]2CCC[C@H](C3CC3)C2)c1	160157937	VPQQXGFNHWGZCM-FHLIZLRMSA-N	257.421	4.614	70	10	CJIE	
N[C@@H](CC1=CCCCC1)c1ccccc1C(F)(F)F	161181666	MMKYCMUYCHCPOJ-AWEZNQCLSA-N	269.310	4.596	70	10	CJIE	
CCN[C@@H]1CC[C@@H](CC)C[C@@H]1Cc1c(C)cc(C)cc1C	217661840	WFGPICQASJSQRP-QWFCFKBJSA-N	287.491	4.959	70	10	CJIE	
Fc1cc(F)cc(C[C@H](Br)c2ccccc2)c1	144842580	DBXNGZCLOOGZEW-AWEZNQCLSA-N	297.142	4.644	70	10	CJIE	
CCCNC[C@H](Cc1c(C)cc(C)cc1C)C1CCCC1	159944314	OFAVNDIMZOHSGZ-IBGZPJMESA-N	287.491	4.960	70	10	CJIE	
C[C@@H]1CCC[C@@H](CCNCc2cc(F)cc(Cl)c2)C1	160942074	FJJNYELSNLVCTJ-OLZOCXBDSA-N	283.818	4.785	70	10	CJIE	
CC(C)(C)c1ccc(C[C@@H](O)CC2=CCCCC2)cc1	161088625	UBJKJPUPNQJYJV-SFHVURJKSA-N	272.432	4.778	70	10	CJIE	
O=C(Cc1ccccc1F)c1cc2ccc(F)cc2s1	161168808	FDKNCRZBZOIPDW-UHFFFAOYSA-N	288.318	4.605	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@@H](C)c1cccc(N)c1	217351314	ONKGFUDFYDGNDF-NONVJHHQSA-N	275.436	4.807	70	10	CJIE	
CCC[C@H]1CCC(=O)[C@@H](C/C=C\c2ccccc2)C1	217620175	HYPSQGFEXQZIEE-YIGKEOEDSA-N	256.389	4.875	70	10	CJIE	
CC(C)c1ccc(C23CC([B-](F)(F)F)(C2)C3)cc1	1887484426	HSCRWYYSYBXRJM-UHFFFAOYSA-N	253.096	4.833	70	10	CJIE	
CC(C)=C(CSC[C@H]1CC[C@H](C)C1)[B-](F)(F)F	1901639373	JIXGFUXMGMNKQZ-QWRGUYRKSA-N	265.173	4.879	70	10	CJIE	
CCCCCCCCOCc1ccccc1[B-](F)(F)F	2136008561	WVZRLPDBZFGZKQ-UHFFFAOYSA-N	287.154	4.618	70	10	CJIE	
CC1(C)C([C@@H](O)c2cc3cccc(Cl)c3o2)C1(C)C	159657459	HHZCWJLNARKTSL-LBPRGKRZSA-N	278.779	4.802	70	10	CJIE	
Cc1ccc2c(c1)[C@H](Nc1cccc3cccnc13)CC2	160752376	VAUBZDFQXHWUAQ-QGZVFWFLSA-N	274.367	4.643	70	10	CJIE	
Fc1cc(Cl)ccc1CNc1cc(F)c(F)c(F)c1	160816295	CQECHXPSLQWIBM-UHFFFAOYSA-N	289.659	4.509	70	10	CJIE	
CN[C@H](c1cc(C)oc1C)c1c(C)ccc2ccccc12	160906142	QXCRWDSUQDBEJJ-LJQANCHMSA-N	279.383	4.667	70	10	CJIE	
CO[C@]1(C(=O)c2ccc(C(C)C)cc2)CCC[C@H](C)C1	161114388	RPMWUEKWFRGLEW-KBXCAEBGSA-N	274.404	4.588	70	10	CJIE	
Cc1ccc([C@H](C)Nc2ccc(C)c(N(C)C)c2)cc1F	161201168	JILAMFRUVFBYPG-AWEZNQCLSA-N	286.394	4.682	70	10	CJIE	
CCC(CC)CN(CC)[C@@H](c1cccc(C)c1)[C@@H](N)CC	217812504	ALMWAOKNNKSWCD-OALUTQOASA-N	290.495	4.532	70	10	CJIE	
CCOc1ccc([C@@H](C)N[C@H]2CCCC[C@@H]2CC)cc1	217848888	SPVGJPYKBRKZAE-VKJFTORMSA-N	275.436	4.705	70	10	CJIE	
CCC[C@@H](NCc1cccc2cc[nH]c12)c1cccs1	218135589	YHLYVTVDPSLNMY-OAHLLOKOSA-N	284.428	4.860	70	10	CJIE	
CCc1ccccc1CN[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218142991	MKYWJKMJEWIZHT-YQVWRLOYSA-N	271.448	4.553	70	10	CJIE	
C[C@H]1CCC[C@@H]1N[C@H](C)c1ccc(Cl)c(Cl)c1	218209368	QNTHDZGHZGMHRE-RBZYPMLTSA-N	272.219	4.833	70	10	CJIE	
Cc1ccc2cc([C@H](O)C3C[C@H](C)C[C@@H](C)C3)ccc2n1	218374020	ZMXXOZABVWUDNW-VPZZIHKRSA-N	283.415	4.649	70	10	CJIE	
CCC1(CC)C[C@H](N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CCO1	218646147	ZEOZSIFROQELCW-BSDSXHPESA-N	295.511	4.775	70	10	CJIE	
F[B-](F)(F)[C@H]1C[C@@H]1c1ccc(Cl)cc1Br	1885274475	MAGRCBOBHWAUME-SFYZADRCSA-N	298.318	4.807	70	10	CJIE	
Fc1ccc(C(F)(F)F)c([C@@H]2C[C@H]2[B-](F)(F)F)c1	1908321676	GJRGCLNNOAEAGV-IONNQARKSA-N	270.964	4.549	70	10	CJIE	
CCCCC[C@H](NC)c1ccc(F)c(C(F)(F)F)c1	159593568	RVGCOPLDHLHCLX-ZDUSSCGKSA-N	277.305	4.685	70	10	CJIE	
O[C@@H](c1cccc(OC2CC2)c1)c1cc2ccccc2s1	159947047	PDPHZHOXKHQWLU-SFHVURJKSA-N	296.391	4.524	70	10	CJIE	
CCCc1ccc([C@@H](C)Nc2ccc(F)c(OC)c2)cc1	159990527	LIICVIQMVSOPQJ-CYBMUJFWSA-N	287.378	4.960	70	10	CJIE	
CCN[C@H](CC1CCCCC1)c1ccccc1OC(F)F	161085240	MOHLZDDKRRNHIY-OAHLLOKOSA-N	297.389	4.909	70	10	CJIE	
CCN[C@H](c1ccc(C)c(C)c1)[C@H]1CCC[C@@H](C)C1	217993634	MNVXYXXEGVAUKG-SKDZVZGDSA-N	259.437	4.780	70	10	CJIE	
CC[C@H]1CCCC[C@@H]1OC[C@@H](O)c1c(C)cc(C)cc1C	218547824	QHSKFQMLHHIXTE-KSZLIROESA-N	290.447	4.631	70	10	CJIE	
CCCCN([C@H](C)CC)[C@@H]1CCCCCC[C@@H]1NCCC	218699030	JRHPHMYSHNVZMH-CEXWTWQISA-N	296.543	4.978	70	10	CJIE	
C[C@H](CN1CCC[C@H]([B-](F)(F)F)C1)C1CCCCC1	2070265396	XKNWGQBMLQQTSR-OCCSQVGLSA-N	276.175	4.516	70	10	CJIE	
COc1cc(N[C@@H](C)c2cc(F)c(C)cc2F)ccc1F	160078034	GYIWWJMUINZCQA-JTQLQIEISA-N	295.304	4.594	70	10	CJIE	
CCC1([C@@H](Cc2ccc(F)cc2Cl)NC)CCCC1	160593136	ONBGGQOGZGDQGZ-OAHLLOKOSA-N	283.818	4.580	70	10	CJIE	
C[C@@H]1CCCC[C@H]1NCCSCc1ccc(Cl)cc1	160970711	QHHNTYRTOVLQPO-CZUORRHYSA-N	297.895	4.742	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)[C@@H]1CC[C@H](C)[C@H](C)C1	161368782	MPSBJIVRXPKFDZ-BURFUSLBSA-N	263.469	4.927	70	10	CJIE	
CC[C@@H](C)c1ccccc1NC(=O)Nc1cccs1	217305880	NBKOTSNXOZMUOZ-LLVKDONJSA-N	274.389	4.906	70	10	CJIE	
C[C@@H]1C[C@@H](O[C@H](C)c2cccc(N)c2)CC(C)(C)C1	217351827	GGXXWKFCJKJQFT-XJKCOSOUSA-N	261.409	4.561	70	10	CJIE	
CCCN[C@H]1CC[C@H](CCC)C[C@@H]1Cc1ccccc1F	217735270	OPGGJZHAXMFEDK-WDYCEAGBSA-N	291.454	4.953	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(N(C)C)cc1	217903193	CADBIXBEDYAEIH-JLSDUUJJSA-N	274.452	4.625	70	10	CJIE	
Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@H]1CCCC[C@H]1C	218077136	RFULBQUVMJUWEQ-UHOFOFEASA-N	275.436	4.770	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC1(CN)CCCCCC1	218750304	WJMZKCRUBWOQHO-ZACQAIPSSA-N	281.484	4.516	70	10	CJIE	
Fc1c(Cl)cc(/C=C\[B-](F)(F)F)cc1Cl	382638743	SNKUTSOBQSULBZ-UPHRSURJSA-N	257.830	4.532	70	10	CJIE	
CCNC[C@H](c1cccc(Cl)c1)[C@@H]1C[C@@H]1c1ccccc1	159465450	CZSDHAJKXCOWEM-GUDVDZBRSA-N	299.845	4.837	70	10	CJIE	
O[C@H](c1cc2cccc(Cl)c2o1)[C@@H]1C[C@@H]1c1ccccc1	159656042	ONFPETOJQDUKDC-CPUCHLNUSA-N	298.769	4.923	70	10	CJIE	
CCNC[C@H](C[C@H]1Cc2ccccc2S1)C1CCCC1	159936643	NOHKXCKMEIYHIE-DLBZAZTESA-N	289.488	4.509	70	10	CJIE	
CCSCC[C@H](C)N[C@@H]1CCC(C)(C)c2ccccc21	159980706	CTEDAJWERSOAPQ-WMLDXEAASA-N	291.504	4.920	70	10	CJIE	
O[C@H](CC1=CCCCC1)c1cccc2ccccc12	161072779	JHFQOMOIIGHQDF-GOSISDBHSA-N	252.357	4.764	70	10	CJIE	
CCN[C@H](CC1CCCCC1)[C@@H]1C[C@@H]1c1ccccc1	161086468	OCCOAAVLRZCWSL-GUDVDZBRSA-N	271.448	4.739	70	10	CJIE	
C[C@@H]1CCC[C@H](CCNCc2coc3ccccc23)C1	161103744	OKFRFOCWEOUAIY-HUUCEWRRSA-N	271.404	4.739	70	10	CJIE	
Cc1oc(C)c([C@@H](N)Cc2ccc(C(C)(C)C)cc2)c1C	161261103	OSJUGAPOQPBFFN-KRWDZBQOSA-N	285.431	4.745	70	10	CJIE	
CCCc1ccc([C@@H](CC2=CCCCC2)NC)cc1	161299325	HKFHRSMGQLUZNQ-GOSISDBHSA-N	257.421	4.790	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)C)C[C@@H]1CCCc1ccccc1	217789169	BWGXGIRTUJFBPG-CEXWTWQISA-N	273.464	4.670	70	10	CJIE	
CCCCCN(C(C)C)[C@H](c1cccc(C)c1)[C@@H](N)CC	217826303	PPRCSJJAEHCGPU-RBUKOAKNSA-N	290.495	4.674	70	10	CJIE	
Cc1ccc(C)c([C@]2(N)C[C@H](C)CC[C@H]2C(C)C)c1	217884152	XDRJMRIEMMQTMM-HFTRVMKXSA-N	259.437	4.550	70	10	CJIE	
Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@H]1CCC[C@@H](C)C1	218077332	BQMFILPRULXIMH-IVMMDQJWSA-N	275.436	4.770	70	10	CJIE	
CC[C@H]1CC[C@H](CN)[C@@H](C[C@@H]2CSc3ccccc32)C1	218703454	AVZRPUICUKDQGV-ZJIFWQFVSA-N	289.488	4.667	70	10	CJIE	
CC(C)CCCCCN1CCC[C@@H]([B-](F)(F)F)C1	2016101346	VFWOAJMWJREBMZ-CYBMUJFWSA-N	264.164	4.516	70	10	CJIE	
Cc1ccc(OC[C@H]2CCC=CCCC2)c([B-](F)(F)F)c1	2163722012	VKKMHRCRTVEWFC-AWEZNQCLSA-N	297.149	4.565	70	10	CJIE	
CCCN[C@@H](c1ccc(F)cc1)c1cccc(C)c1Cl	160301533	OGEFIVUUSIXJBQ-KRWDZBQOSA-N	291.797	4.877	70	10	CJIE	
CN[C@H](Cc1cc(C)ccc1C)c1cccc(C)c1Cl	160362664	JZYVJLWFMHTRDJ-QGZVFWFLSA-N	287.834	4.768	70	10	CJIE	
Cc1cc([C@H](O)Cc2ccc(Cl)cc2F)ccc1Cl	160409695	DWDBQPMRLLDWAK-OAHLLOKOSA-N	299.172	4.717	70	10	CJIE	
CCCNC[C@@H]1CC[C@@H](CCC)C[C@H]1c1cncc(C)c1	161035909	NVOORIJLJNNRJG-ZIFCJYIRSA-N	288.479	4.690	70	10	CJIE	
CC(C)(C)c1ccccc1[C@H](N)CC1CCCCC1	161091010	BWLGIRQUBZCUHI-QGZVFWFLSA-N	259.437	4.954	70	10	CJIE	
CC[C@@H](C)c1cccc2c(CC(C)C)c(CN)oc12	161379340	RBKRMWDSIZMUCQ-GFCCVEGCSA-N	259.393	4.604	70	10	CJIE	
CCCN[C@H](c1cc(C)ccc1C)[C@@H]1CCCCS1	161436335	WFDCNEZPLFXUNK-DLBZAZTESA-N	277.477	4.630	70	10	CJIE	
C[C@H]1C[C@H]1c1ccc(CN[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)o1	217635435	MGWKGUXDLZCANY-UQFNYGDGSA-N	287.447	4.707	70	10	CJIE	
Cc1ccc(C2CC(N[C@@H]3CCC[C@@H](C)[C@H]3C)C2)cc1	218064907	JWBHGXZWRZDVHU-ZBPHDNMCSA-N	271.448	4.655	70	10	CJIE	
C[C@@H]1CC[C@H](N)[C@@H](c2ccc(-c3ccccc3)cc2)C1	218393886	GSPPOJJQIPNXAM-ZMYBRWDISA-N	265.400	4.585	70	10	CJIE	
CCNC[C@@H](O[C@@H]1CCCC[C@@H]1CC)c1ccccc1C	218746215	ZIZPTCAPUNSFAY-QXAKKESOSA-N	289.463	4.631	70	10	CJIE	
Cc1cc(OC2C[C@@H](C)C[C@H](C)C2)c(C)c([B-](F)(F)F)c1	686553529	ZZAAHPKLXXHEGQ-QWRGUYRKSA-N	299.165	4.561	70	10	CJIE	
C=C(CN(Cc1ccccc1)CC1CCCC1)[B-](F)(F)F	1931881355	GPWVPHJHOVGLFA-UHFFFAOYSA-N	296.165	4.622	70	10	CJIE	
CCCCCCCCC[C@@H](CS(=O)(=O)Cl)C1CC1	1951869133	NMEMRZFSBKHHRT-AWEZNQCLSA-N	294.888	4.722	70	10	CJIE	
CCCCOCCCN[C@H](C)c1ccc(CCCC)cc1	160239882	ULFOBHRICZOZEU-QGZVFWFLSA-N	291.479	4.887	70	10	CJIE	
CCc1ccc(C[C@@H](NC)c2c(F)cccc2Cl)s1	161225802	ZEXMABUPTRWEAE-CQSZACIVSA-N	297.826	4.606	70	10	CJIE	
CCCN[C@@H](c1ccccc1)[C@H](CC)N(C)[C@@H](C)CCC	218643356	MMDIUFFEJHUGMK-WDSOQIARSA-N	290.495	4.626	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1c1ccc(Br)cc1Cl	1885274704	NXRJMHOYEXEPJM-HTQZYQBOSA-N	298.318	4.807	70	10	CJIE	
CCC1CCC(CN2CC[C@](C)([B-](F)(F)F)C2)CC1	2319749430	NDTONPODHYBQEB-RUXDESIVSA-N	276.175	4.516	70	10	CJIE	
CC(C)=C(COC[C@@H]1C[C@H]1C1CCCCC1)[B-](F)(F)F	2340164413	VKPZUWZFLVHERB-KBPBESRZSA-N	289.170	4.942	70	10	CJIE	
CCCc1cccc([C@H](O)c2cc3sccc3s2)c1	159827617	GLZZEVZHLOVJJS-INIZCTEOSA-N	288.437	4.997	70	10	CJIE	
c1ccc2cc([C@H]3CCNC[C@H]3C3CCCC3)ccc2c1	160109619	DDWRWEGIWMQWDH-UXHICEINSA-N	279.427	4.723	70	10	CJIE	
CCN[C@H](c1ccc(C)c(C)c1)c1cccc(C)c1Cl	160294561	GMQHABJKDDAGRL-GOSISDBHSA-N	287.834	4.964	70	10	CJIE	
CC[C@@H](C)[C@H](c1ccccc1)[C@@H](O)C1=CCCCC1	218136968	WIRRCMANULILRM-OLMNPRSZSA-N	258.405	4.678	70	10	CJIE	
CC(C)c1csc2cc(Br)ccc12	218195430	TZQDJWXKQYRKMW-UHFFFAOYSA-N	255.180	4.787	70	10	CJIE	
CCC[C@@H]1CC[C@H](N)[C@@H](c2cccc(C(F)(F)F)c2)C1	218497493	JVAKDVHFVQZKTB-DFBGVHRSSA-N	285.353	4.717	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC1(CN)CCCCCC1	218750407	WJMZKCRUBWOQHO-BBWFWOEESA-N	281.484	4.516	70	10	CJIE	
C=C(CCOc1cccc(C2CCC2)c1)[B-](F)(F)F	2314799297	KTDZFQNVADQUGM-UHFFFAOYSA-N	269.095	4.666	70	10	CJIE	
CC(C)=C(CN1CCC12CCCCCC2)[B-](F)(F)F	2317857866	TXYJPBURVFEDRG-UHFFFAOYSA-N	274.159	4.508	70	10	CJIE	
CC(C)C(CCN1CC[C@@](C)([B-](F)(F)F)C1)C(C)C	2319747289	CFQQSLLDPVKAEH-CQSZACIVSA-N	278.191	4.618	70	10	CJIE	
CN[C@H](C)c1cc(F)c(C)cc1Oc1ccc(F)cc1C	160584041	IXIMDFXJCJNYGG-GFCCVEGCSA-N	291.341	4.654	70	10	CJIE	
CN[C@H](c1c(C)ccc2ccccc12)C1CCCC1	160905981	XYMOQUHMLYMTKB-SFHVURJKSA-N	253.389	4.599	70	10	CJIE	
C[C@H](Nc1cccc(N(C)C)c1)c1ccc(F)c(Cl)c1	161072724	DFXGEXPDKYDIGA-NSHDSACASA-N	292.785	4.718	70	10	CJIE	
CC[C@@H](C)[C@@H](c1ccccc1)[C@@H](N)C1=CCCCC1	217882623	GHWGMIPWOROVPR-JLSDUUJJSA-N	257.421	4.644	70	10	CJIE	
CCC1CCC(CN[C@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)CC1	218115694	ASPCQJGNLHKCMF-UTNMAVNQSA-N	275.480	4.617	70	10	CJIE	
C[C@H]1CCC[C@H]1N[C@H](C)c1c(Cl)ccc(F)c1Cl	218211409	GZHUAIMGDGONAW-YGOYTEALSA-N	290.209	4.972	70	10	CJIE	
C[C@H]1CC[C@@H](CN)[C@@H](C[C@@H]2CCCc3ccccc32)C1	218632621	KBFCISBMIFRYAY-LEUOFYLZSA-N	271.448	4.508	70	10	CJIE	
CCCN[C@@H]1CC[C@@H](CCC)C[C@@H]1OCc1ccccc1	218764529	IWTVVNRMGYNKMB-QRQLOZEOSA-N	289.463	4.540	70	10	CJIE	
CCSc1ccccc1NCc1cccc2c1NCCC2	159381259	CMISOWKEFZEDOH-UHFFFAOYSA-N	298.455	4.769	70	10	CJIE	
CCC[C@](C)(CNC(C)(C)C)[C@@H]1C[C@@H]1c1ccccc1	159419062	OSQKJYBRUYQXDN-ZHALLVOQSA-N	273.464	4.985	70	10	CJIE	
COc1cc(N[C@H]2CCc3sc(Cl)cc32)ccc1F	159913259	WRLZQTMDRUXAIJ-NSHDSACASA-N	297.782	4.649	70	10	CJIE	
CCN[C@@H](c1ccc(C)c(C)c1)c1cccc(C)c1Cl	160294419	GMQHABJKDDAGRL-SFHVURJKSA-N	287.834	4.964	70	10	CJIE	
CC1CCC(CCNCc2ccc(Cl)cc2F)CC1	160829331	BFIAQCKQDJIWKZ-UHFFFAOYSA-N	283.818	4.785	70	10	CJIE	
Cc1ccc(NC(CC(C)C)CC(C)C)cc1N(C)C	161150153	SSDPRQOWICMRIE-UHFFFAOYSA-N	276.468	4.934	70	10	CJIE	
CC[C@H]1CC[C@H](NC)[C@@H](Cc2c(C)cc(C)cc2C)C1	217648065	ALTFTXWVXKHNNV-SCTDSRPQSA-N	273.464	4.569	70	10	CJIE	
C[C@H]1CCC[C@@H](C)C1N[C@H](C)Cc1ccccc1Cl	218020707	QKMZWAUKSPWNPA-IAPGTGOOSA-N	279.855	4.685	70	10	CJIE	
CCCN[C@H]1CC[C@@H](CCC)C[C@@H]1N(CC)C1CCCC1	218636926	YUKWCRNJCCYZHM-NEWSRXKRSA-N	294.527	4.588	70	10	CJIE	
CC(C)=C(COCCCCCC(F)(F)F)[B-](F)(F)F	2317851181	HHCOBVYIDRUMNR-UHFFFAOYSA-N	291.064	4.849	70	10	CJIE	
CCN[C@@H](c1ccc(F)cc1F)c1cccc(C)c1Cl	160297513	HMBGWVPJXLCLBQ-INIZCTEOSA-N	295.760	4.626	70	10	CJIE	
Cc1ccc2ccccc2c1[C@H](O)Cc1cccc(F)c1	161000181	QWPSOUOQBOZTDH-GOSISDBHSA-N	280.342	4.563	70	10	CJIE	
CCN[C@@H](Cc1ccc(CC)s1)c1cccc(C)c1C	161119927	AEEIUQRBKXVGOL-SFHVURJKSA-N	287.472	4.821	70	10	CJIE	
CCCN[C@H](c1ccc(C)cc1C)[C@@H]1CCCCS1	161412332	LKWGHYXSZMLYJC-DLBZAZTESA-N	277.477	4.630	70	10	CJIE	
c1cc[n+]([B-]23C[C@@H]4CC(C[C@H](C4)C2)C32CCCCC2)cc1	195810421	JSTFEXQBCPUVIM-VWYCLODISA-N	281.252	4.532	70	10	CJIE	
N[C@]1(c2cccc(Cl)c2Cl)C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217894962	GIIGUNSTOBXKBO-CTSUJBPDSA-N	296.241	4.604	70	10	CJIE	
COc1c(C)ccc(N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1C	218074856	HRDVZAJNRCZGJQ-URLQWDBASA-N	287.447	4.939	70	10	CJIE	
CC[C@@H](O[C@@H]1C[C@@H](C)CC(C)(C)C1)C(=O)c1ccccc1	218411524	RBVZFXVBNMWCSC-DJIMGWMZSA-N	288.431	4.879	70	10	CJIE	
C=C(CCN(Cc1ccccc1)[C@@H](C)CC)[B-](F)(F)F	1953582410	XKYPMYOBNCWOCF-AWEZNQCLSA-N	284.154	4.620	70	10	CJIE	
C=C(CN(C)[C@H]1CCCCC12CCCCC2)[B-](F)(F)F	2110008680	CTDIKMWFFCHTHU-AWEZNQCLSA-N	288.186	4.754	70	10	CJIE	
CC[C@H](OCC(=C(C)C)[B-](F)(F)F)c1ccccc1	2317858990	ZVCILYJMDSMQLM-AWEZNQCLSA-N	271.111	4.877	70	10	CJIE	
CC(C)=C(CN1CC[C@H]1C1CCCCCC1)[B-](F)(F)F	2340143265	XEDWTECTUXPPCG-HNNXBMFYSA-N	288.186	4.754	70	10	CJIE	
CCCN[C@H](c1c(C)ccc2ccccc12)C1CCC1	160937406	QEYMOXHGVJWWOV-IBGZPJMESA-N	267.416	4.989	70	10	CJIE	
O[C@@H](CC1=CCCCC1)c1ccccc1OC(F)(F)F	161088868	FCYRVVUUQMQHTG-ZDUSSCGKSA-N	286.293	4.509	70	10	CJIE	
Cc1cc(CN[C@H]2C[C@@H](C)CC[C@H]2C(C)C)cc(C)c1O	217890579	WJVPSFCPVLSOAS-KKXDTOCCSA-N	289.463	4.559	70	10	CJIE	
CC[C@H](C)C[C@@H](CC)N[C@H](c1ccccc1)C1CC1	217984385	WZFCBXKHFHYXPV-BMGDILEWSA-N	259.437	4.942	70	10	CJIE	
CC(C)CC(CC(C)C)N[C@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217998867	VELWZRMNBBAFBD-QTUASDBPSA-N	277.496	4.862	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1O[C@@H](C)CCC(C)C	1890598518	ZCLDFKYFARQDJY-LBPRGKRZSA-N	287.154	4.507	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1c1ccc(Cl)c2cccnc12	2009405026	UGXHYEKMZXFHMG-NXEZZACHSA-N	270.470	4.593	70	10	CJIE	
Cc1c(Br)sc(C=C[B-](F)(F)F)c1C	2241382070	GETLZPGJHUVXQA-UHFFFAOYSA-N	283.929	4.527	70	10	CJIE	
CC(C)CCCCCN1CC[C@](C)([B-](F)(F)F)C1	2303136008	NDSONEZEMWMCMC-ZDUSSCGKSA-N	264.164	4.516	70	10	CJIE	
O[C@@H](CC1CCCCCC1)c1cc2cc(F)ccc2o1	159415701	YZFYDTAMKIXUOQ-HNNXBMFYSA-N	276.351	4.966	70	10	CJIE	
CCCCCC[C@@H](O)c1ccc(Cl)c2cccnc12	160426343	UBFDGQOBIWUDTR-OAHLLOKOSA-N	277.795	4.892	70	10	CJIE	
CCOC(CC)(CC)C(=O)c1cccc2ccsc12	160652456	HUXJZJPOROZNMO-UHFFFAOYSA-N	276.401	4.679	70	10	CJIE	
CCSCC[C@H](C)n1c(C)cc2c1CC(C)(C)CC2=O	160718355	YBLVMNSDLDKGTH-LBPRGKRZSA-N	293.476	4.656	70	10	CJIE	
Cc1ccc([C@@H](O)c2c(C)ccc3ccccc23)cc1F	161009790	XZJJDDLXODLWJU-LJQANCHMSA-N	280.342	4.677	70	10	CJIE	
CC[C@H](NCc1coc2ccccc12)C1CCCCC1	161100307	GYHISNQJEREEQI-KRWDZBQOSA-N	271.404	4.881	70	10	CJIE	
CCOC1(C(=O)[C@H]2CCCC[C@@H]2CC)CCCCCC1	161336758	MCIFZBDHIYKGBC-HOTGVXAUSA-N	280.452	4.901	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)Cc1ccc(F)c(F)c1	161385941	LRLNFEPDZUUOHT-INIZCTEOSA-N	293.401	4.766	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)c1ccccc1C	161401220	MKBGNRVCGBYQLZ-GOSISDBHSA-N	257.421	4.926	70	10	CJIE	
CCCN[C@@H]1CC[C@@H](CCC)C[C@@H]1Cc1cccc(F)c1	217729044	VBTUIWZRRJGUIR-SZVBFZGTSA-N	291.454	4.953	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1cc(F)c(F)cc1F	218194104	GXFWGMWUNWNXPK-HFAKWTLXSA-N	285.353	4.977	70	10	CJIE	
CCC[C@@H]1CC[C@@H](O)[C@@H](C/C=C\c2ccccc2)C1	218298576	CHCYSCOGZNORCL-MXTQAUAKSA-N	258.405	4.667	70	10	CJIE	
CC[C@@H]1CC[C@@H](N)[C@@H](C[C@@H]2CCCc3ccccc32)C1	218455489	XBPZTCHIVQMMRW-NOCIGQNYSA-N	271.448	4.650	70	10	CJIE	
Cc1cc2c(n1[C@@H]1CCC[C@H](C)[C@H]1C)CC(C)(C)C[C@@H]2O	218612406	MPAGEXSNMPFOEL-VYOUMLOHSA-N	289.463	4.800	70	10	CJIE	
C=C(CCOC[C@H]1C[C@@H]1C1CCCCC1)[B-](F)(F)F	2079949373	UNBBYBQQMAODDN-ZIAGYGMSSA-N	275.143	4.552	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OCCCC[C@H]1C[C@@H]1C	2280465942	LQVGKMIWVJYHEW-JSGCOSHPSA-N	299.165	4.509	70	10	CJIE	
CC(C)Cc1nc(C2CCCCC2)sc1CNC1CC1	159909402	LJTVWYKGMBVCGO-UHFFFAOYSA-N	292.492	4.641	70	10	CJIE	
CC(C)Oc1ccc(NCc2cc(Cl)ccc2F)cc1	160675005	GUKZUKJUQVKNLW-UHFFFAOYSA-N	293.769	4.878	70	10	CJIE	
COc1ccc(Cl)c(NCc2coc3ccccc23)c1	161097988	FBMBQDJQVQBOLA-UHFFFAOYSA-N	287.746	4.707	70	10	CJIE	
CCCN[C@@H](Cc1ccc(CC)s1)c1ccc(C)s1	161153789	BBIOLOMVNLZIOU-HNNXBMFYSA-N	293.501	4.964	70	10	CJIE	
C[C@@H](CCN[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1	218074604	SGEFHXLOUPFBNQ-MUQADHOPSA-N	259.437	4.595	70	10	CJIE	
CCC[C@H]1CC[C@H](O)[C@@H](Cc2ccc(F)cc2Cl)C1	218296105	UENYGJFKFOXVJI-GHJWDPDVSA-N	284.802	4.599	70	10	CJIE	
CCN[C@@H](c1ccc(C)s1)C1C2CC3CC(C2)CC1C3	160134955	DRESNFPGHVWPIC-OLKDXYPGSA-N	289.488	4.779	70	10	CJIE	
CC(C)(C)NC[C@H](C[C@@H]1CCC(C)(C)O1)C1CCCC1	160979920	HMLIJAOXYVIQQB-HOTGVXAUSA-N	281.484	4.529	70	10	CJIE	
CCCc1c(CNC2CC2)oc2ccc(C(C)(C)C)cc12	161365677	ROPINRVOYVWLSR-UHFFFAOYSA-N	285.431	4.935	70	10	CJIE	
CN[C@@H](Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[C@@H](C)C1	217973226	FGEHDPDLGZRQIH-INWMFGNUSA-N	299.380	4.662	70	10	CJIE	
CCNC[C@@H](O[C@@H]1CCC[C@@H](C)C1)c1cccc(Cl)c1	218760457	HSCDBIKDQZJYRR-KBRIMQKVSA-N	295.854	4.586	70	10	CJIE	
CC(C)=C(CN1CC[C@@H]1C1CCCCCC1)[B-](F)(F)F	2340143266	XEDWTECTUXPPCG-OAHLLOKOSA-N	288.186	4.754	70	10	CJIE	
Cc1nc2c(Cl)cc(Cl)cn2c1-c1ccccc1F	159481696	IMELKGOGBDWFMH-UHFFFAOYSA-N	295.144	4.756	70	10	CJIE	
CCCC[C@@H](CC)Nc1c(F)c(F)c(F)c(F)c1F	160629221	HVTMQVSACFSIEN-SSDOTTSWSA-N	281.268	4.763	70	10	CJIE	
CCO[C@@]1(C(=O)c2cc(C)c(C)cc2C)CCC[C@@H](C)C1	161192407	QHNMFQJYFPUJPI-YJYMSZOUSA-N	288.431	4.780	70	10	CJIE	
CCc1ccc(C[C@H](C[C@H](C)CC(C)(C)C)NC)s1	161210973	MIONUVQVZSEWND-KBPBESRZSA-N	281.509	4.903	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)c1ccccc1OC	161399124	INXBZVPHEQZDFY-QGZVFWFLSA-N	273.420	4.626	70	10	CJIE	
CCCc1c(CNC)oc2c(C)ccc(C(C)C)c12	161445087	JIDXEGKLDRGMBZ-UHFFFAOYSA-N	259.393	4.537	70	10	CJIE	
CCCc1cccc(C(=O)[C@@H](OCC)C2CCCCC2)c1	161455938	IQWHEPJWUGSDSZ-IBGZPJMESA-N	288.431	4.807	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1Cc1cccc(F)c1F	217751941	CMJAGXAGVHDYPD-SQWLQELKSA-N	295.417	4.558	70	10	CJIE	
CC[C@@H]1CCCC[C@@H]1O[C@@]1(CNC2CC2)CCC[C@@H](C)C1	218747436	IQDTVMRUYOFJHN-FPAYPSAMSA-N	293.495	4.673	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@@H]1[C@@H]1CCC[C@@H](C(F)(F)F)C1	1984461780	HJGREMQCVMWWOU-FNCVBFRFSA-N	259.022	4.593	70	10	CJIE	
CC(C)=CCC[C@@H](C)OCC(=C(C)C)[B-](F)(F)F	2302785116	OLXLTSQYLSSAJH-GFCCVEGCSA-N	263.132	4.861	70	10	CJIE	
C[C@H]1CCC[C@H](CCNCc2cc(Cl)ccc2F)C1	160828949	MPJBIEMRKRKCNH-QWHCGFSZSA-N	283.818	4.785	70	10	CJIE	
CCCN[C@H](Cc1ccc(Cl)s1)c1ccc(CC)o1	160889005	LKUHUBJIWRHYEY-CYBMUJFWSA-N	297.851	4.840	70	10	CJIE	
Cc1ccc(N[C@@H](c2ccccc2)C2CC2)cc1N(C)C	161144367	YTSHYINBEWOSCS-IBGZPJMESA-N	280.415	4.624	70	10	CJIE	
CCc1ccc2oc(CNCC(C)C)c(CC(C)C)c2c1	161368833	YROBRAYQCQFWIB-UHFFFAOYSA-N	287.447	4.939	70	10	CJIE	
CCCN[C@H]1CC[C@@H](CCC)C[C@@H]1Cc1ccccc1F	217735132	OPGGJZHAXMFEDK-SUMDDJOVSA-N	291.454	4.953	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC[C@@H]1CCCC[C@@H]1C	218164888	DRBKCAXIZZPXIP-ICUGJSFKSA-N	265.485	4.863	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1N[C@H](C)Cc1ccc(F)cc1	218204237	ZKBUBCAFRXFTBD-SFUIVIKGSA-N	291.454	4.807	70	10	CJIE	
C=C(COc1ccc(-c2ccccc2)cc1)[B-](F)(F)F	236129499	LTISJEAEKITEJC-UHFFFAOYSA-N	277.074	4.675	70	10	CJIE	
Fc1ccc(C(F)(F)F)c([C@H]2C[C@H]2[B-](F)(F)F)c1	2010602404	GJRGCLNNOAEAGV-VXNVDRBHSA-N	270.964	4.549	70	10	CJIE	
C=C(CCO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[B-](F)(F)F	2044979734	LXRLETHTIIEPCI-IACUBPJLSA-N	277.159	4.797	70	10	CJIE	
CC(C)(C)C1CCC(N2CCC[C@@H]([B-](F)(F)F)C2)CC1	2133915905	YLFFCAMPOPTGJI-ROKHWSDSSA-N	290.202	4.905	70	10	CJIE	
CCCCC1CCC([C@H](NCCC)C2=CCCO2)CC1	160764681	KZEKDUJVOYCYAT-HTWSVDAQSA-N	279.468	4.655	70	10	CJIE	
CCN[C@@H](c1ccc(C)o1)c1c(C)ccc2ccccc12	160916582	JDTHGFONGOZJGC-IBGZPJMESA-N	279.383	4.749	70	10	CJIE	
CCCN[C@@H](c1cncc(C)c1)C1CCC(C)(C)CC1	160985222	XMKYDOPYEZMGDZ-QGZVFWFLSA-N	274.452	4.647	70	10	CJIE	
CC[C@@H]1CCC[C@@H]([C@@H](NN)C2(CC(C)C)CCCC2)C1	217322656	BRJYNEUOGKTONE-BRWVUGGUSA-N	280.500	4.641	70	10	CJIE	
CCN[C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1C[C@@H](C)CC	217763568	VJGADXPHJQRFRA-CAOSSQGBSA-N	253.474	4.863	70	10	CJIE	
CCOc1ccc(N[C@@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c(C)c1	218110620	HZGUVYUNUFDBMR-DTZRRZKCSA-N	285.431	4.630	70	10	CJIE	
CCC1CCC(CN2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)CC1	1879766508	FRHKDTOPBZGMTH-PFSRBDOWSA-N	288.186	4.516	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCCN(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2225291189	XYMRZYCIZNIWCK-CBBWQLFWSA-N	288.186	4.516	70	10	CJIE	
C=C(CCOC(CC(C)C)CC(C)C)[B-](F)(F)F	2298881945	GXGYTJPXWQCBOG-UHFFFAOYSA-N	265.148	4.797	70	10	CJIE	
F[B-](F)(F)[C@@H]1CCN(C[C@H]2C[C@@H]2C2CCCCCC2)C1	2342539277	BOQAQHSSCRLYRH-RBSFLKMASA-N	288.186	4.516	70	10	CJIE	
CCNC[C@@H](Cc1ccc(C(C)(C)C)cc1)C1CCCC1	159932927	DWGVOHXUNVIPEW-GOSISDBHSA-N	287.491	4.943	70	10	CJIE	
Cc1ccsc1[C@H](N)c1c(C)ccc2ccccc12	160856106	YWMQQIATWJIZEV-MRXNPFEDSA-N	267.397	4.566	70	10	CJIE	
NCc1oc2ccc(Oc3ccccc3)cc2c1C1CC1	161254475	LXHFBDVNPQKPMC-UHFFFAOYSA-N	279.339	4.561	70	10	CJIE	
CC[C@H]1CCCC[C@H]1O[C@H](c1sccc1C)[C@H](N)CC	217896862	ZYSUEHDRSHWYQD-JJXSEGSLSA-N	295.492	4.820	70	10	CJIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@]1(CO)Nc1ccc(Cl)cc1	218118721	VZQPKWPZYOOCTB-JQFCIGGWSA-N	295.854	4.575	70	10	CJIE	
CC(C)c1ccc(NC(=O)N/C=C/c2ccc(F)cc2)cc1	218183857	BHIAFURRBXYIOX-VAWYXSNFSA-N	298.361	4.742	70	10	CJIE	
CC[C@H]1CCCC[C@H]1OC[C@@H](NC)c1ccc(C)c(C)c1	218782705	GXNZYEAKPLBCOM-QXAKKESOSA-N	289.463	4.549	70	10	CJIE	
COc1ccc2cc([C@@H]3C[C@@H]3[B-](F)(F)F)ccc2c1	2059003694	PZIQKBSNZFYQIL-KBPBESRZSA-N	265.063	4.553	70	10	CJIE	
Cc1ccc(OCCCCCCC2CC2)c([B-](F)(F)F)c1	2234160230	KOBCAXSZBPAMFB-UHFFFAOYSA-N	299.165	4.789	70	10	CJIE	
CC(C)=C(CN(C)C[C@H]1CC12CCCCC2)[B-](F)(F)F	2340332392	WREVVRDVGONACH-CYBMUJFWSA-N	288.186	4.612	70	10	CJIE	
Cc1cc(C)c(N[C@@H]2C[C@H]3CC[C@@H]2C3)c(Br)c1	159563346	CPQSMMTUYNTWGU-OUCADQQQSA-N	294.236	4.666	70	10	CJIE	
Cc1ccc2c(c1)[C@H](NCC[C@H]1CCC[C@H](C)C1)CC2	160827666	FZUTUMUZZRAKBP-ZSZQSSIHSA-N	271.448	4.788	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)s1)c1sccc1CC	161198237	GBKLVACWKWTPAQ-OAHLLOKOSA-N	293.501	4.828	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc([C@H](N)CC3CC3)ccc21	161484234	WSVRVPJBDSDCLQ-QGZVFWFLSA-N	271.448	4.836	70	10	CJIE	
CCN[C@@H](c1ccc(F)c(F)c1F)[C@@H]1CCC[C@@H](C)C1	217982365	RKXQJDKJTLZCDO-GLKRBJQHSA-N	285.353	4.581	70	10	CJIE	
CC(C)[C@H](NCc1cccc2cc[nH]c12)c1cccs1	218080080	OBEORHRSMNZPAW-INIZCTEOSA-N	284.428	4.716	70	10	CJIE	
CC/C=C/NC(=O)NC1CCCCCCCCCCC1	218467975	DGMHPGCMNGVZHC-CRKCGEKBSA-N	280.456	4.883	70	10	CJIE	
COc1cc(N[C@H]2c3ccccc3CC2(C)C)ccc1F	160131736	JDOPWKCTVBKVRA-KRWDZBQOSA-N	285.362	4.570	70	10	CJIE	
Cc1ccc([C@H](N)c2c(C)ccc3ccccc23)cc1	160841726	ZDHYKKZUVSHQSN-IBGZPJMESA-N	261.368	4.505	70	10	CJIE	
CCN[C@H](Cc1ccc(C(C)(C)C)cc1)c1ccc(C)o1	161274979	YGWQJRYWRDSQBP-QGZVFWFLSA-N	285.431	4.779	70	10	CJIE	
CCOC1(C(=O)[C@H]2CCC[C@@H](CC)C2)CCCCCC1	161360792	FUNCRCGHEXQMHK-CVEARBPZSA-N	280.452	4.901	70	10	CJIE	
FC(F)(F)c1cc(Cl)ccc1N[C@H]1C[C@H]2CC=C[C@@H]12	217828509	HNIZDSNPVGPWKT-JQEORGNBSA-N	287.712	4.735	70	10	CJIE	
Cc1cccc2c1OCCC[C@H]2N[C@@H]1CCC[C@@H](C)[C@H]1C	217895457	OZUXRKRYOZLWOU-MOIQIXESSA-N	287.447	4.623	70	10	CJIE	
CC(C)(C)[C@@H]1CC[C@@H](N)[C@@H](c2ccc(Cl)cc2F)C1	218549658	LOFYAYLSLBRCOG-WDBKCZKBSA-N	283.818	4.736	70	10	CJIE	
Cc1sc([C@@H]2C[C@@H]2[B-](F)(F)F)cc1Br	1882176529	HVCYGHMGGDDUMH-RITPCOANSA-N	283.929	4.524	70	10	CJIE	
Cc1cc(OCCCC[C@@H]2C[C@H]2C)c(C)c([B-](F)(F)F)c1	2280466372	OWNFVIRJTPLQSP-TZMCWYRMSA-N	299.165	4.563	70	10	CJIE	
CCNC[C@H](c1ccccc1Cl)[C@@H]1C[C@@H]1c1ccccc1	159471124	MLBDJAWUXIRJSD-KZNAEPCWSA-N	299.845	4.837	70	10	CJIE	
CCNCc1sc(C2CCCCCC2)nc1CC(C)C	159758098	FLAPMDZTTPLOKG-UHFFFAOYSA-N	294.508	4.889	70	10	CJIE	
CCN[C@@H](c1c(C)ccc2ccccc12)C1C[C@H]2C[C@@H]2C1	160918905	UXKVXMYHBOJEQY-JXXFODFXSA-N	279.427	4.845	70	10	CJIE	
C[C@H]1CCC[C@@H](CCNCc2coc3ccccc23)C1	161104118	OKFRFOCWEOUAIY-GJZGRUSLSA-N	271.404	4.739	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)Cc1ccc(F)cc1F	161426705	GIVRVTVZQXVIBZ-KRWDZBQOSA-N	293.401	4.766	70	10	CJIE	
Nc1nc(/C=C\c2ccc(C3CCCCC3)cc2)cs1	217934452	AXTIHVFAGSXNPM-FLIBITNWSA-N	284.428	4.943	70	10	CJIE	
CCN[C@@H](c1cc(F)ccc1C)[C@H]1CCC[C@@H](C)C1	217980303	RVQVFCRWVWKWPL-HACGYAERSA-N	263.400	4.611	70	10	CJIE	
CCCC[C@H](CC)CO[C@@H](C(C)C)[C@@H](O)c1ccccc1	218556181	BWYNNHQORBWGSC-WDSOQIARSA-N	292.463	4.978	70	10	CJIE	
CC[C@@H]1CC[C@@H](CN)[C@@H](c2ccc(C(C)(C)C)cc2)C1	218683482	HYMRKDQLVQJLRZ-UWWQBHOKSA-N	273.464	4.853	70	10	CJIE	
Cc1cc(O[C@@H]2C[C@@H](C(C)C)CC[C@H]2N)ccc1C(C)C	218768884	CXPLZEFUSFNGHD-KFKAGJAMSA-N	289.463	4.649	70	10	CJIE	
CC[C@@H](C)[C@H](C)Oc1ccc2ccccc2c1[B-](F)(F)F	319646319	QYJBSKGPOWETRA-NEPJUHHUSA-N	295.133	4.708	70	10	CJIE	
CCCNCc1sc(-c2ccsc2)nc1CC(C)C	159830926	FRFAUCBOKXEIFT-UHFFFAOYSA-N	294.489	4.570	70	10	CJIE	
CCSCC[C@@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1	160032492	JACCINMQELCTEP-CABCVRRESA-N	295.492	4.656	70	10	CJIE	
CCCC1CCC([C@@H](N)c2c(Cl)cnn2CCC)CC1	160499428	LUGVRGAANGPYPV-SSDMNJCBSA-N	297.874	4.553	70	10	CJIE	
Cc1ccc2c(CC(C)C)c(CNC3CC3)oc2c1C	161257599	CDNYPJZNJNAOAU-UHFFFAOYSA-N	271.404	4.500	70	10	CJIE	
C[C@H]1CCC[C@@H]([C@@H](N)Cc2ccc(Cl)cc2Cl)C1	217949281	QQBDNTZTOJDTNG-NVBFEUDRSA-N	286.246	4.690	70	10	CJIE	
Cc1ccccc1C[C@@H](C)N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	218101718	VVZKQZQYVIKHNY-JQERWDHBSA-N	287.491	4.976	70	10	CJIE	
C[C@H](N[C@@H]1CCCC[C@H]1C(C)(C)C)c1ccccc1	159815364	JHBSVTSQQWMDIG-USXIJHARSA-N	259.437	4.942	70	10	CJIE	
CCCNC[C@@H](Cc1c(F)cccc1Cl)C1CCCC1	159951038	IGKVEKKVIAUXLN-CQSZACIVSA-N	297.845	4.828	70	10	CJIE	
Cc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1N(C)C	161181005	VZPZKCOEJTVZNP-GVDBMIGSSA-N	286.463	4.832	70	10	CJIE	
CCN[C@H](c1ccc(C(C)C)cc1)[C@@H]1CCCCS1	161318611	SBRZZQDNNLMRPQ-DLBZAZTESA-N	277.477	4.746	70	10	CJIE	
CCNCc1oc2c(Cl)cc(F)cc2c1C(C)(C)C	161440359	XLFPRADXIIBZGC-UHFFFAOYSA-N	283.774	4.632	70	10	CJIE	
CC[C@@H](C)c1ccc(OCC(=O)c2cccs2)cc1	217347138	CADOTVXRUHAEJV-GFCCVEGCSA-N	274.385	4.523	70	10	CJIE	
CCC[C@@H]1CC[C@H](NC)[C@@H](CCCc2ccccc2)C1	217704027	MVDHBKSVQJOFGN-QYZOEREBSA-N	273.464	4.814	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1Cc1ccc(Cl)s1	217761568	QJYAGQSEBOGPEK-YRGRVCCFSA-N	299.911	4.994	70	10	CJIE	
CCCCCC[C@@H](C)OCCN[C@@H]1CCC[C@@H](C)C1	217911188	GONYWPNAILFFON-BRWVUGGUSA-N	269.473	4.530	70	10	CJIE	
CCCC1CCC(COc2cccc([B-](F)(F)F)c2)CC1	2193122698	OCEONWPBPKCVID-UHFFFAOYSA-N	299.165	4.726	70	10	CJIE	
CCCc1ccc([C@@H](C)N[C@H](C)CCSCC)cc1	159972899	UTXRHSGBXOXCGH-HUUCEWRRSA-N	279.493	4.821	70	10	CJIE	
C[C@H](C[C@@H](O)Cc1ccc(Cl)cc1F)CC(C)(C)C	160397479	UDNVVQYBVUUPRO-BXUZGUMPSA-N	286.818	4.845	70	10	CJIE	
CCCN[C@@H](c1cncc(C)c1)C1CCC(C(C)C)CC1	160986225	FKXMYIDUWYPCHW-FAFZWHIHSA-N	288.479	4.893	70	10	CJIE	
CN[C@H](CC1CCCCC1)c1cc2c(s1)CCSC2	161007748	ADAYLEBUHXLDAI-CQSZACIVSA-N	295.517	4.768	70	10	CJIE	
CCCN[C@H](CC[C@@H]1CCCCO1)CC1CCCCC1	161073670	IEUCBBJJWOCLHZ-MSOLQXFVSA-N	281.484	4.674	70	10	CJIE	
CCCN[C@@H](c1cccc(OC)c1)[C@H]1CCC[C@@H](C)C1	218027248	XBBPVLYTTJYRKQ-RVKKMQEKSA-N	275.436	4.562	70	10	CJIE	
CCCC[C@@H](CC)CO[C@H](c1cccc(F)c1)[C@@H](N)CC	218268302	ODPYGDDVLJMZNB-FHLIZLRMSA-N	295.442	4.837	70	10	CJIE	
F[B-](F)(F)C1CCN(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2231068391	CLVFGWVQJHJYKI-WDNDVIMCSA-N	288.186	4.516	70	10	CJIE	
CC(C)=C(CN1CCC2(CCCCC2)CC1)[B-](F)(F)F	2340128798	BFWHGEVFBSLPHH-UHFFFAOYSA-N	288.186	4.756	70	10	CJIE	
CCN[C@@H](c1c(Cl)cnn1C(C)C)C1CCCCCC1	160483073	UDBQTOJFVDBAKI-OAHLLOKOSA-N	297.874	4.738	70	10	CJIE	
C[C@@H]1Nc2cccc(Cl)c2O[C@@H]1c1ccc(Cl)cc1	160542425	JALULOOXHUFGPS-XPTSAGLGSA-N	294.181	4.928	70	10	CJIE	
CC[C@H](Nc1cccc(N(C)C)c1)c1cccc(Cl)c1	161100852	YRVBTGBXPVMLQN-KRWDZBQOSA-N	288.822	4.969	70	10	CJIE	
Cc1ccc(C)c2c(C(C)C)c(CNC(C)C)oc12	161240925	VYHPAQUUNTUMOF-UHFFFAOYSA-N	259.393	4.671	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)[C@H]1CCOC2(CCCC2)C1	161325988	ZTEKDZIMJWEBHW-ZWKOTPCHSA-N	291.479	4.594	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1ccc(F)c(F)c1F	161350854	XFQCDWVRTNOVAB-AWEZNQCLSA-N	283.337	4.645	70	10	CJIE	
CCN[C@@H]1CC[C@@H](CC)C[C@@H]1Cc1ccc(CC)cc1	217663836	WDNRWAUAGFZTOW-BHIYHBOVSA-N	273.464	4.596	70	10	CJIE	
Cc1cccc([C@]2(N)C[C@@H](C)CC[C@H]2C(C)C)c1C	217883795	OVUUKEVORFWAIW-OWQGQXMQSA-N	259.437	4.550	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](N)[C@@H](c2ccc(C(C)(C)C)cc2)C1	218508995	VQXCRIFYMDEBLX-KBAYOESNSA-N	273.464	4.851	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](CCSc2ccccc2)C1	218727619	LDSUSTPNOPLNJB-IXDOHACOSA-N	291.504	4.960	70	10	CJIE	
C[Si](Cl)(Cl)CC[Si](C)(C)O[Si](C)(C)C	642772161	UAMLZIFXNZWGEP-UHFFFAOYSA-N	289.427	4.593	70	10	CJIE	
F[B-](F)(F)[C@@H]1C[C@H]1c1ccc(Cl)c2cccnc12	1908067450	UGXHYEKMZXFHMG-VHSXEESVSA-N	270.470	4.593	70	10	CJIE	
Fc1cc([C@H]2C[C@H]2[B-](F)(F)F)cc(C(F)(F)F)c1	2009403778	GUBGOUKZUYQSAE-RKDXNWHRSA-N	270.964	4.549	70	10	CJIE	
CCCCC[C@H](NCC)[C@@H]1[C@H]2CCc3ccccc3[C@@H]21	159711587	ORPGQTLTIHKLEW-VJANTYMQSA-N	271.448	4.521	70	10	CJIE	
CCCC[C@@H](C)Nc1ccc(F)c(Br)c1	159770542	PPDSEMBVHFXYCP-SECBINFHSA-N	274.177	4.579	70	10	CJIE	
CC[C@@H]1Nc2cccc(Cl)c2O[C@H]1c1ccccc1	160544053	HIVKHRYWKINMSK-ZFWWWQNUSA-N	273.763	4.664	70	10	CJIE	
Cc1cccc(NC(=O)Nc2cccc(Cl)c2Cl)c1	217304686	IDNQMRJEODTNCJ-UHFFFAOYSA-N	295.169	4.946	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCc1c[nH]c2ccccc12	217522983	URGUURHNNZPRJG-OGWOLHLISA-N	284.447	4.718	70	10	CJIE	
CCCN[C@H]1CC[C@H](CCC)C[C@@H]1Cc1ccccc1	217734953	KALKURVJBQHPLH-UHOSZYNNSA-N	273.464	4.814	70	10	CJIE	
CCN[C@@H](Cc1ccc(C)c(C)c1)[C@H]1CCC[C@@H](C)C1	217984637	NEAWHAYIJHLHGG-CCKFTAQKSA-N	273.464	4.650	70	10	CJIE	
CCCCCC[C@@H](O)C1(OCC)CCC(C)(C)CC1	159855653	NLVTYDMVJPHMJM-OAHLLOKOSA-N	270.457	4.693	70	10	CJIE	
Cc1cccc([C@H](C)N[C@H]2C[C@H](C)CC(C)(C)C2)c1	160209667	GOQJSEHINBUEAO-ZOBUZTSGSA-N	259.437	4.860	70	10	CJIE	
CCCC[C@](CC)(CNCC)C[C@@H]1CCC(C)(C)O1	160904753	CKVIUVRGWVZCJU-RDJZCZTQSA-N	269.473	4.530	70	10	CJIE	
CCC[C@@H](C)[C@H](Cc1ccc(C(C)(C)C)cc1)NCC	161289749	KLMPIUIKTHVZBG-QAPCUYQASA-N	275.480	4.941	70	10	CJIE	
CC[C@H](N)[C@@H](O[C@@H]1CCC[C@@H](C)C1)c1cccc(Cl)c1	218273667	PKQQMLBLEPXMME-VZEFYGNVSA-N	295.854	4.714	70	10	CJIE	
CC[C@@H]1CC[C@H](CN)[C@@H](CCSc2ccccc2)C1	218656159	UUGREPCFMUYVIV-OWCLPIDISA-N	277.477	4.570	70	10	CJIE	
CCCN[C@@H](CCC)[C@H](CC)N1CCC[C@@H]2CCCC[C@H]21	218656500	BNBHUGCKEFXISS-CADBVGFASA-N	294.527	4.588	70	10	CJIE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](Cc2ccc(C)c(C)c2)C1	218730288	QHMCPJUBPXUHKZ-NZSAHSFTSA-N	273.464	4.637	70	10	CJIE	
C=C(CCN(C)C1CCC(C)(CC)CC1)[B-](F)(F)F	2051647391	ZQMNYWLADPWLFZ-UHFFFAOYSA-N	276.175	4.610	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1O[C@H]1CCCC[C@@H]1CC	2197461585	NFRKPWMQSOPQHU-WFASDCNBSA-N	299.165	4.651	70	10	CJIE	
CCCc1cccc([C@@H](O)c2cc3ccccc3s2)c1	159813134	WFQMZVKMLNHBFY-GOSISDBHSA-N	282.408	4.936	70	10	CJIE	
CCCN[C@H](Cc1ccc(F)cc1Cl)c1ccc(C)o1	160597987	CWIUYEKBTZJZFD-OAHLLOKOSA-N	295.785	4.664	70	10	CJIE	
Fc1cc(Cl)cc(CNc2cc(F)cc(F)c2F)c1	160931591	DRARAZZOWVMDTD-UHFFFAOYSA-N	289.659	4.509	70	10	CJIE	
Cc1ccc(C)c(NC(=O)c2cc(C)c(F)cc2Cl)c1	161099431	NVMTXEQEQVHJPM-UHFFFAOYSA-N	291.753	4.657	70	10	CJIE	
CCN[C@@H](CC1=CCCCC1)c1c(F)ccc(C)c1F	161373306	VFTRKEXHPQLAPO-HNNXBMFYSA-N	279.374	4.814	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)[C@H]1CCOC2(CCC2)C1	161381734	AFGWWJZNWYJOQU-ZWKOTPCHSA-N	291.479	4.594	70	10	CJIE	
C[C@@H](F)c1cc2c(Br)cccc2s1	218331008	XRTQUBOXYXQVCD-ZCFIWIBFSA-N	259.143	4.694	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](c2ccc(C)cc2C)C1	218758512	WHHPJJYFNPNPBA-NUJGCVRESA-N	259.437	4.562	70	10	CJIE	
F[B-](F)(F)c1c(OC2CCCCC2)ccc2ccccc12	312121218	YJVNDHNWXQOGIE-UHFFFAOYSA-N	293.117	4.606	70	10	CJIE	
CC(C)(C)c1ccc(CN2CCC([B-](F)(F)F)CC2)cc1	2239527025	FBJTUISVCZTCTE-UHFFFAOYSA-N	298.181	4.798	70	10	CJIE	
CCCc1cccc([C@H](O)c2ccc(C)c(Cl)c2)c1	159827069	XEUWYVWYVWUKLF-KRWDZBQOSA-N	274.791	4.683	70	10	CJIE	
CCNC[C@H](Cc1c(C)cc(C)cc1C)C1CCCC1	159929727	VVBSTFARDJNJPM-SFHVURJKSA-N	273.464	4.570	70	10	CJIE	
O[C@H](CCC1CCCCC1)c1cccc(OC2CC2)c1	159946142	MLIFWYVUHYNIJX-GOSISDBHSA-N	274.404	4.622	70	10	CJIE	
C[C@@H](NCc1cc(F)cc(Cl)c1)c1ccc(F)c(F)c1	160842340	JCLVMJDTKHPWRM-SECBINFHSA-N	299.723	4.608	70	10	CJIE	
CCCN[C@@H](c1ccoc1)c1c(C)ccc2ccccc12	160932765	BWJBSHSCZDMHRS-IBGZPJMESA-N	279.383	4.830	70	10	CJIE	
CCCN[C@H](Cc1ccc(CC)s1)c1ccc(CC)o1	161161480	CMPXSMDLRXQAMI-MRXNPFEDSA-N	291.460	4.749	70	10	CJIE	
CCNCc1oc2c(C(C)(C)C)cccc2c1C(C)C	161383603	QYVQHNOUMMXFEQ-UHFFFAOYSA-N	273.420	4.963	70	10	CJIE	
CC[C@@H]1CC[C@@H](NC)[C@@H](Cc2ccc(C(C)C)cc2)C1	217646535	KQAVVCPTTIEVPJ-ATZDWAIDSA-N	273.464	4.767	70	10	CJIE	
CCC[C@H]1CC[C@@H](NCC)[C@@H](Cc2ccc(CC)cc2)C1	217716744	PMRKXWRDGNDNSA-DFQSSKMNSA-N	287.491	4.986	70	10	CJIE	
CCCN[C@@H](c1ccc(F)c(F)c1F)[C@H]1CCC[C@@H](C)C1	218012848	MKFMCOXENXWUKK-BWACUDIHSA-N	299.380	4.971	70	10	CJIE	
COc1ccc(N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c(C)c1	218198693	VTSCBPISBJWHQU-QANKJYHBSA-N	273.420	4.630	70	10	CJIE	
CC[C@H]1CC[C@@H](O)[C@@H](Cc2c(Cl)cccc2Cl)C1	218288204	UVGVQTLUPQGNRZ-FIXISWKDSA-N	287.230	4.723	70	10	CJIE	
Cc1cc(C)c(C[C@H]2C[C@@H](C(C)C)CC[C@H]2O)c(C)c1	218321008	CGLNKWIPLAVRSS-YQVWRLOYSA-N	274.448	4.588	70	10	CJIE	
CO[C@H](c1nc(Cl)cc(CC(C)C)n1)C1CCCCC1	160512312	IQOOSDSUXGIBGX-HNNXBMFYSA-N	296.842	4.596	70	10	CJIE	
Cc1ccc(N[C@H](C)c2c(F)cccc2F)cc1N(C)C	161154612	RJUZWSYSBVIJGR-GFCCVEGCSA-N	290.357	4.512	70	10	CJIE	
Cc1ccc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1N(C)C	161222588	QURQJMXYOPMGBW-CZUORRHYSA-N	274.452	4.688	70	10	CJIE	
CCCNCc1oc2c(OCCC)cccc2c1C1CC1	161398477	UBHTXTXBIIISDO-UHFFFAOYSA-N	287.403	4.599	70	10	CJIE	
CCC[C@H]1CC[C@@H](CN)[C@H](S[C@@H]2CCC[C@@H](C)C2)C1	217855529	CZUURBQDFDWYEX-DRRXZNNHSA-N	283.525	4.842	70	10	CJIE	
CCCCN(CCCC)C(=O)N/C=C/c1cccc(C)c1	217899396	FXQVVWCEQBXGRH-VAWYXSNFSA-N	288.435	4.578	70	10	CJIE	
Cc1ccc(N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1C	218070320	SJPXAWLVHPYOOV-QILLFSRXSA-N	257.421	4.930	70	10	CJIE	
CC[C@@H](N)[C@H](O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(C)(C)C	218253193	PDUMPGCDMYTUGB-UTSKFRMZSA-N	283.500	4.616	70	10	CJIE	
CCCN[C@H]1CC[C@H](CCC)C[C@@H]1N1CCCCCCC1	218614393	UEMSAWSJTOGDOM-FHWLQOOXSA-N	294.527	4.590	70	10	CJIE	
CCNc1cc(Oc2ccccc2[C@@H](C)CC)ccn1	159374609	HFNFTFPPJCJJJG-ZDUSSCGKSA-N	270.376	4.819	70	10	CJIE	
CCC(CC)(CNC(C)C)[C@H]1C[C@H]1c1ccccc1	159425458	ASSVIGLKDFKQJS-IRXDYDNUSA-N	259.437	4.595	70	10	CJIE	
CCCN[C@H](CCC)CC[C@@H]1C[C@@H]1c1ccccc1	159522782	NMCHZOOYZSLYHV-KZNAEPCWSA-N	259.437	4.739	70	10	CJIE	
C[C@H](C[C@@H](O)c1cccc(OC2CC2)c1)CC(C)(C)C	159954385	VAWSOSVKYTUZOQ-CXAGYDPISA-N	276.420	4.724	70	10	CJIE	
Cc1cc(C)c([C@H](O)C2C3CC4CC(C3)CC2C4)c(C)c1	160214014	ZOCJEMOZFXQUIB-UMSBGXLASA-N	284.443	4.718	70	10	CJIE	
Cc1ccc2c(c1)[C@H](N[C@H](c1ccccc1)C(C)C)CC2	160780379	CSVZQLJOPYVENK-UXHICEINSA-N	279.427	4.969	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)s1)CC1CCCCC1	161138570	IYQYNHNTTUBFOH-HNNXBMFYSA-N	279.493	4.802	70	10	CJIE	
CCc1ccc(C[C@H](NC)c2ccc(C)c(Cl)c2)s1	161232017	WACBSPDWRIYKLX-INIZCTEOSA-N	293.863	4.776	70	10	CJIE	
CN[C@H](CC1=CCCCC1)Cc1c(C)cc(C)cc1C	161243856	DZYJNBLSLIYXLB-GOSISDBHSA-N	271.448	4.633	70	10	CJIE	
CCOc1cccc2c(C(C)C)c(CNCC(C)C)oc12	161345516	IVOAIUHRLKTSRW-UHFFFAOYSA-N	289.419	4.701	70	10	CJIE	
CCC[C@@H]1CC[C@H](NC)[C@@H](Cc2ccc(C)c(C)c2)C1	217704333	AFASFJLPKLKGHJ-QRQLOZEOSA-N	273.464	4.650	70	10	CJIE	
CCC[C@@H]1CC[C@H](CN)[C@@H](Cc2c(F)cccc2Cl)C1	218742130	ISMNNZRXVZLIIQ-MGPQQGTHSA-N	297.845	4.813	70	10	CJIE	
CCCCCCCCN1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2073770869	APZNPDMLMHJLNQ-KBPBESRZSA-N	276.175	4.660	70	10	CJIE	
Cc1ccc(Cl)cc1[C@H](O)c1ccccc1C1CCC1	160029381	RJNXINVUWAHYCE-GOSISDBHSA-N	286.802	4.998	70	10	CJIE	
CN[C@@H](c1ccc(Cl)cc1)C1C2CC3CC(C2)CC1C3	160130816	OXWPRZBCZPNCGV-DMEYJBINSA-N	289.850	4.673	70	10	CJIE	
CCCCOCCCN[C@@H](CCCC)c1ccc(F)cc1	160230373	LOHZJKGZMGOWPZ-SFHVURJKSA-N	295.442	4.853	70	10	CJIE	
CCCCOCCCN[C@@H](CC)c1ccc(Cl)cc1	160238250	ZHHPCLANPYLVHP-INIZCTEOSA-N	283.843	4.588	70	10	CJIE	
CCC(CC)NC(=O)Nc1ccccc1[C@H](C)CC	217305016	KQBMBMUUAUYITN-GFCCVEGCSA-N	262.397	4.510	70	10	CJIE	
CCCCc1ccc(NC(=O)N/C=C/c2ccccc2)cc1	217616413	VVHIQXZOJQIODW-CCEZHUSRSA-N	294.398	4.822	70	10	CJIE	
CC[C@H](C)[C@@H](c1ccccc1)[C@@H](NN)C1CCCCCC1	217637100	IOZOXQAWOIRIPR-SNRMKQJTSA-N	288.479	4.619	70	10	CJIE	
CN[C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1Cc1ccccc1Cl	217760247	PLBWGOPPNKDECX-ZMSDIMECSA-N	293.882	4.933	70	10	CJIE	
CCCN[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1CCC	217769112	CIUYWOONFXNZMD-OKZBNKHCSA-N	259.437	4.739	70	10	CJIE	
CC[C@H](c1ccc(O)cc1)N1CCC[C@@H](C(C)(C)C)CC1	217884474	NGEZRTXHHAFQEK-SJLPKXTDSA-N	289.463	4.992	70	10	CJIE	
CCCN[C@H](CCc1ccccc1)[C@@H]1CCC[C@@H](C)C1	218032374	WKUYCHIUHDGBOZ-BHIYHBOVSA-N	273.464	4.814	70	10	CJIE	
CCCC[C@H](CC)CO[C@@H](CC)[C@@H](O)c1ccccc1	218556831	XUTYWQFUHCENTH-SZMVWBNQSA-N	278.436	4.732	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC1(CNC2CC2)CCCC1	218749630	LDKAFCZYFRISDQ-JQHSSLGASA-N	293.495	4.529	70	10	CJIE	
Cc1cc(OC2CC(C(C)(C)C)C2)c(C)c([B-](F)(F)F)c1	2167542094	XUMBGCDOZBFQSP-UHFFFAOYSA-N	299.165	4.561	70	10	CJIE	
F[B-](F)(F)[C@]12C[C@@H]1CCN(CCCCCCC1CC1)C2	2225789112	VVIBNQISCWZVEK-GJZGRUSLSA-N	288.186	4.660	70	10	CJIE	
CC[C@@H]1CCC[C@@H](OCc2cccc([B-](F)(F)F)c2C)C1	2283572676	FPDMCXNZAMLSLG-UKRRQHHQSA-N	299.165	4.535	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1cccc(CC)c1	161367037	RUFJCXQACOHQLX-GOSISDBHSA-N	257.421	4.790	70	10	CJIE	
CCO[C@H](C(=O)CCCc1ccccc1)C1CCCCC1	161439061	ZKRIEFSZXXVYTH-IBGZPJMESA-N	288.431	4.564	70	10	CJIE	
CCCc1c(CNC2CC2)oc2cc3c(cc12)CCCC3	161449182	UTRMLJPJVQMINV-UHFFFAOYSA-N	283.415	4.516	70	10	CJIE	
CCC[C@@H]1CC[C@@H](NCC)[C@@H](CCOc2ccccc2)C1	217717964	XJFQURZEMJCBSI-ZIFCJYIRSA-N	289.463	4.650	70	10	CJIE	
CC[C@H]1CCCC[C@H]1O[C@H](c1ccc(C)cc1)[C@@H](N)CC	218243827	GCHCOQUMUKFCIZ-GDAAHCPNSA-N	289.463	4.759	70	10	CJIE	
CC1(C)CCC[C@@H](CN2CCC[C@H]([B-](F)(F)F)C2)C1	2082978405	GVWXGVLULOSXIU-OLZOCXBDSA-N	276.175	4.516	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(OC[C@H]2CCC=CCCC2)c1	2163721105	MMFRJCJYZFAVJB-AWEZNQCLSA-N	297.149	4.565	70	10	CJIE	
CC(C)(C)c1ccc([C@@H](O)c2cccc3[nH]ccc23)cc1	159442810	BMCQXMUGRLLCME-GOSISDBHSA-N	279.383	4.547	70	10	CJIE	
CCSCC[C@H](C)NCC1CCC(C(C)(C)C)CC1	160062503	RETMCLJBEKCJRV-FHERZECASA-N	285.541	4.960	70	10	CJIE	
CN[C@@H](c1c(C)ccc2ccccc12)[C@H](C)C(C)C	160887394	SQJBYHHJJVJMDP-RDTXWAMCSA-N	255.405	4.701	70	10	CJIE	
Cc1ccc2ccccc2c1[C@@H](O)[C@@H]1Cc2ccccc21	160979990	NZCLSOHQRRSLBM-QUCCMNQESA-N	274.363	4.522	70	10	CJIE	
Cc1ccc(C)c2c(CC(C)C)c(CNC(C)C)oc12	161239821	WMEBNSFBLPKHMA-UHFFFAOYSA-N	273.420	4.746	70	10	CJIE	
C[C@H]1CCC[C@@H]([C@@H](N)Cc2cccc3ccccc23)C1	217959337	WVROOUUJIIBDDW-YJLNNSPDSA-N	267.416	4.536	70	10	CJIE	
Cc1cc(F)c([C@H]2C[C@@H]2[B-](F)(F)F)c(Br)c1	1975298838	OLECZZOFASKTEK-BQBZGAKWSA-N	295.890	4.602	70	10	CJIE	
C=C(CCO[C@@H](C)CCCCCC)[B-](F)(F)F	1978067875	QGPOGJQXAHNJMH-LBPRGKRZSA-N	251.121	4.695	70	10	CJIE	
CC1(C)CC[C@H](CCN2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)C1	2344850548	FAVDLIHIYCGEBO-NFAWXSAZSA-N	288.186	4.516	70	10	CJIE	
Clc1ccc(NCc2nc3ccc(Cl)cc3o2)cc1	160478300	ZCODZZSOUQIYQH-UHFFFAOYSA-N	293.153	4.747	70	10	CJIE	
C[C@@H](CCNCc1cc(F)cc(Cl)c1)c1ccccc1	160934167	RWTDCBIMSCEPGV-ZDUSSCGKSA-N	291.797	4.763	70	10	CJIE	
CC(C)(C)c1ccc([C@H](O)CC2=CCCCC2)cc1	161054698	BHPQHHZFKSUXNW-QGZVFWFLSA-N	258.405	4.908	70	10	CJIE	
N[C@H](CC1=CCCCC1)C[C@@H]1CCCc2ccccc21	161198369	LQAKIZFEQYNDPS-ZWKOTPCHSA-N	269.432	4.714	70	10	CJIE	
CCCN[C@@H](CC1=CCCCC1)[C@H]1CCOC2(CCC2)C1	161381620	AFGWWJZNWYJOQU-ROUUACIJSA-N	291.479	4.594	70	10	CJIE	
Cc1c(Cl)cc(/C=C/[B-](F)(F)F)cc1Cl	306738008	ADYCZXXYPWFITB-NSCUHMNNSA-N	253.867	4.702	70	10	CJIE	
CO[C@H](CSCC(=C(C)C)[B-](F)(F)F)C1CCCC1	2317991103	RHRQFLTYVOWPJE-CYBMUJFWSA-N	295.199	4.648	70	10	CJIE	
CCNC[C@@H](Cc1cccc2ccccc12)C1CCCC1	159931844	JHNCTIUSPLHTNG-LJQANCHMSA-N	281.443	4.798	70	10	CJIE	
CCCC[C@](CC)(CNC(C)C)C[C@H]1CCC(C)(C)O1	160905960	TUSURJRATIAAFW-AEFFLSMTSA-N	283.500	4.919	70	10	CJIE	
CCCC1CCC([C@H](NCC)c2cncc(C)c2)CC1	160985441	HOJIMBHQUMSUQC-HTWSVDAQSA-N	274.452	4.647	70	10	CJIE	
CNCc1oc2c(-c3ccccc3)cccc2c1C1CC1	161157128	INTHOQWXUDEQQW-UHFFFAOYSA-N	277.367	4.697	70	10	CJIE	
CC1(C)CCC(C)(C)c2cc([C@H](N)C3CCC3)ccc21	161480341	KGAYKILIOPFHBH-QGZVFWFLSA-N	271.448	4.836	70	10	CJIE	
C[C@H]1C[C@H](Nc2ccc(O)c(F)c2)c2ccsc2S1	217002256	PAXDWGZSCKQXIS-UFBFGSQYSA-N	295.404	4.630	70	10	CJIE	
CC[C@H](N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)c1ccc(F)cc1	218021101	DXOFBYSGMLIFIM-QKAVBZAFSA-N	287.422	4.691	70	10	CJIE	
CCCN[C@H](c1ccccc1OC)[C@@H]1CCC[C@@H](C)C1	218031982	BIMNDGONRJZOHO-RKVPGOIHSA-N	275.436	4.562	70	10	CJIE	
CC[C@@H](N)[C@@H](O[C@@H]1CCC[C@@H](C)C1)c1cccc(Cl)c1	218273583	PKQQMLBLEPXMME-YYQUZTFQSA-N	295.854	4.714	70	10	CJIE	
C[C@@H]1CCC[C@H](Cc2ccc3c(c2)CC[C@@H](C)N3)C1	218376365	OLBQWKPVXNJOQX-KFWWJZLASA-N	257.421	4.802	70	10	CJIE	
O=C(NC=C1CCCCC1)Nc1ccc(Cl)cc1Cl	218666444	HWGJOYMGZLRTEV-UHFFFAOYSA-N	299.201	4.963	70	10	CJIE	
CC(C)=C(CN(C)[C@H]1CCCCC[C@@H]1C)[B-](F)(F)F	2317862716	CKLPNTJYHXDKRH-JSGCOSHPSA-N	276.175	4.610	70	10	CJIE	
C[C@H](C[C@H](O)c1cc2cccc(F)c2o1)C(C)(C)C	159514548	BUKHXRDWJCWWBN-MFKMUULPSA-N	264.340	4.678	70	10	CJIE	
Cc1cccc(C(=O)c2cn(C)c3cc(Cl)ccc23)c1C	159620182	ZTURUTQQNGNZGD-UHFFFAOYSA-N	297.785	4.680	70	10	CJIE	
CNCc1oc2c(C(C)(C)C)ccc(C)c2c1CC(C)C	161193934	GAJJZBUOBUPUPZ-UHFFFAOYSA-N	287.447	4.957	70	10	CJIE	
CCN[C@H](CC1=CCCCC1)c1ccc(OCC)cc1	161348676	ZOXWLQDIOLSTDH-GOSISDBHSA-N	273.420	4.626	70	10	CJIE	
Cc1ccc([C@H](O[C@@H]2C[C@@H](C)CC(C)(C)C2)[C@@H](C)N)cc1	218263708	KMVXNHKRBQJQJJ-JOCBIADPSA-N	289.463	4.615	70	10	CJIE	
F[B-](F)(F)[C@H]1CCCN(Cc2ccc3ccccc3c2)C1	2190461168	RAJKFGIFEASQOL-INIZCTEOSA-N	292.133	4.653	70	10	CJIE	
CCc1cc([B-](F)(F)F)ccc1OCCC(CC)CC	2338133286	PSWQZFGMOZEAOG-UHFFFAOYSA-N	287.154	4.509	70	10	CJIE	
CC(C)=C(COC[C@@H]1CC(F)(F)C12CCC2)[B-](F)(F)F	2340335061	SWNCQRBADBZKPN-JTQLQIEISA-N	297.096	4.552	70	10	CJIE	
Cc1ccc(C)c(C[C@@H](O)c2cccc(CC(C)C)c2)c1	159863371	JPHDCXHVQFXLGR-HXUWFJFHSA-N	282.427	4.778	70	10	CJIE	
CCCN[C@H](C1=CCCCO1)C1CCC(C(C)(C)C)CC1	160045394	GQMZJEWGBRFGKP-HTWSVDAQSA-N	293.495	4.901	70	10	CJIE	
CCCN[C@H]1CCCCCC[C@H]1Oc1ccc(F)cc1C	160561671	YMOLHJHUNTWIKK-FUHWJXTLSA-N	293.426	4.604	70	10	CJIE	
Cc1ccc(F)c(NCc2cc(Cl)ccc2F)c1F	160876627	IOGAXXICJBAYKB-UHFFFAOYSA-N	285.696	4.678	70	10	CJIE	
CCN[C@@H](Cc1ccc(C(C)(C)C)cc1)[C@H](C)C1CC1	161262169	YVOOPVHQWGNAMR-KDOFPFPSSA-N	273.464	4.551	70	10	CJIE	
C[C@H](NCc1cccc2cc[nH]c12)c1ccc(Cl)s1	218090114	DIBZYRVGEVQINW-JTQLQIEISA-N	290.819	4.734	70	10	CJIE	
CCCC[C@H](CC)CO[C@H](C)[C@@H](O)c1ccc(C)cc1	218558373	CHBNEBXNHAKSBW-SOLBZPMBSA-N	278.436	4.650	70	10	CJIE	
CC[C@@H]1CC[C@@H](CN)[C@@H](Cc2csc3ccccc23)C1	218694577	JEBGCHNMHRXHTQ-QLFBSQMISA-N	287.472	4.845	70	10	CJIE	
CCNC[C@@H](C[C@H]1Cc2ccccc2S1)C1CCCC1	159936525	NOHKXCKMEIYHIE-IAGOWNOFSA-N	289.488	4.509	70	10	CJIE	
CCCCOCCCN[C@H]1CCC[C@H](C(C)(C)C)CC1	160251417	BEZZHMBXIOKJOX-IRXDYDNUSA-N	283.500	4.778	70	10	CJIE	
C[C@@H]1CCCC[C@@H]1NCCSCc1ccc(Cl)cc1	160970445	QHHNTYRTOVLQPO-CJNGLKHVSA-N	297.895	4.742	70	10	CJIE	
O=C(CC1=CCCCC1)[C@H]1CCOC2(CCCCC2)C1	161008704	DRMBDWLUEIWVKO-INIZCTEOSA-N	276.420	4.576	70	10	CJIE	
CC[C@H]1CC[C@H](NC)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	217658408	IDSQDYXBWZAWDU-WDYCEAGBSA-N	287.491	4.941	70	10	CJIE	
N[C@H]1CC[C@@H](c2ccccc2)C[C@@H]1Cc1ccccc1Cl	217767246	NMJGRDHSMPMNDP-SUMDDJOVSA-N	299.845	4.794	70	10	CJIE	
CCCN[C@@H](c1cccs1)[C@H]1CCC[C@@H](C)C1	218012502	YVTRMAFIAGFARO-VNHYZAJKSA-N	251.439	4.615	70	10	CJIE	
CCCN[C@@H](Cc1ccc(F)cc1)[C@H]1CCC[C@@H](C)C1	218027511	QGTQPHFXFMPQPH-HFTRVMKXSA-N	277.427	4.563	70	10	CJIE	
C[C@@H]1CC[C@H](CN)[C@@H](Cc2ccc(C(C)(C)C)cc2)C1	218625483	HYVCZMCWCUSUEX-DJIMGWMZSA-N	273.464	4.538	70	10	CJIE	
CC(C)=C(CSc1ccc(F)cc1)[B-](F)(F)F	1901649936	MXGPTGLDHRYGQG-UHFFFAOYSA-N	263.088	4.641	70	10	CJIE	
CCCC1CCC(COc2ccc([B-](F)(F)F)cc2)CC1	2193124124	XSADKGQLBNGLGM-UHFFFAOYSA-N	299.165	4.726	70	10	CJIE	
CC(C)c1ccc(C[C@@H](CNC2CC2)C2CCCC2)cc1	159985901	WPODFSRENLDCGW-IBGZPJMESA-N	285.475	4.911	70	10	CJIE	
CCCN[C@@H](Cc1ccc(F)cc1Cl)c1coc(C)c1	160569510	BXFVDLVZIXOTAP-INIZCTEOSA-N	295.785	4.664	70	10	CJIE	
Cc1ccc([C@H](O)c2cc3ccc(F)cc3s2)cc1C	161216303	ALOADYILLUPLFR-KRWDZBQOSA-N	286.371	4.739	70	10	CJIE	
Cc1oc(C)c([C@H](N)Cc2ccc(C(C)(C)C)cc2)c1C	161260997	OSJUGAPOQPBFFN-QGZVFWFLSA-N	285.431	4.745	70	10	CJIE	
CCCN[C@H](Cc1ccc(C(C)(C)C)cc1)[C@@H](C)C1CC1	161299341	WHYXGNXCEMSNDZ-HNAYVOBHSA-N	287.491	4.941	70	10	CJIE	
CCCN[C@H](CC1=CCCCC1)c1cccc(OC)c1F	161435348	LVUNUGRNAWNNNV-MRXNPFEDSA-N	291.410	4.766	70	10	CJIE	
CCCN[C@H](c1ccc(F)c(F)c1)[C@@H]1CCC[C@@H](C)C1	218008278	SVQHNLULIVOFMF-XNJGSVPQSA-N	281.390	4.832	70	10	CJIE	
CCc1ccccc1CN[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	218143059	MKYWJKMJEWIZHT-JENIJYKNSA-N	271.448	4.553	70	10	CJIE	
O=C(NC=C1CCCCC1)Nc1ccc(Cl)c(Cl)c1	218664510	JWPANIOHXGVXGQ-UHFFFAOYSA-N	299.201	4.963	70	10	CJIE	
CCCC[C@@H](CC)CO[C@]1(CNC2CC2)CCC[C@@H](C)C1	218755730	JQFMUAHQNKAZGZ-ZHALLVOQSA-N	295.511	4.920	70	10	CJIE	
CCCNC[C@@H](O[C@@H]1CCC[C@@H](C)C1)c1cccc(C)c1	218759946	PKFJZFJVGRYHTD-BHIYHBOVSA-N	289.463	4.631	70	10	CJIE	
C=C(COc1ccc(Oc2ccccc2)cc1)[B-](F)(F)F	312192120	ZNKYNWKLKJIJMV-UHFFFAOYSA-N	293.073	4.801	70	10	CJIE	
CC(C)CNCC1([C@@H]2C[C@@H]2c2ccccc2)CCCC1	159415231	BIEPRJIOHGRDJJ-QZTJIDSGSA-N	271.448	4.596	70	10	CJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1N[C@H](C)c1ccccc1	159793932	YSKCUNSMJCLZAK-JOCBIADPSA-N	259.437	4.798	70	10	CJIE	
CO[C@@]1(C(=O)c2cccc3ccsc23)CCC[C@H](C)C1	161021825	CWLPNRAMOUUXKU-SJCJKPOMSA-N	288.412	4.679	70	10	CJIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCCCCNC(C)(C)C	216879446	FGULFRJAMPOMHP-IKGGRYGDSA-N	283.500	4.632	70	10	CJIE	
Cc1cc(F)ccc1CN[C@H]1C[C@H](C)CC[C@H]1C(C)C	217523230	ZQFUUWUFVPCPJF-BVGQSLNGSA-N	277.427	4.685	70	10	CJIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCCNc1ccccc1F	217893546	WHWOZUXEMZXPHY-DAYGRLMNSA-N	293.426	4.715	70	10	CJIE	
CCN[C@H](c1ccc(OC(C)C)cc1)[C@@H]1CCC[C@@H](C)C1	217975556	PLFAIGYWCURMRA-SZVBFZGTSA-N	289.463	4.951	70	10	CJIE	
Cc1ccc([C@H](CN)O[C@H]2C[C@H](C)CC[C@H]2C(C)C)s1	218252612	NSCMKMNVTPHKEV-OEAJRASXSA-N	295.492	4.534	70	10	CJIE	
Cc1ccc([B-](F)(F)F)c(OCCCCCC(C)C)c1	699812842	DVRYQCJFCXWHDR-UHFFFAOYSA-N	287.154	4.645	70	10	CJIE	
CCC[C@H]1CC[C@H](CN2CCC[C@H]([B-](F)(F)F)C2)CC1	1878472022	WXLGJHGYGXOTGU-KKUMJFAQSA-N	290.202	4.906	70	10	CJIE	
CC(C)(C)C1(CN2CCC[C@H]([B-](F)(F)F)C2)CCC1	2071921661	KACWKXYGDRCTJD-LBPRGKRZSA-N	276.175	4.516	70	10	CJIE	
C=C(CCN(C)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)[B-](F)(F)F	2136425713	HIMJXRUXSHSAFQ-SOUVJXGZSA-N	288.186	4.610	70	10	CJIE	
Cc1oc(C)c([C@@H](O)c2cc3cccc(Cl)c3o2)c1C	159646528	FKLNNVHFIVIXIU-HNNXBMFYSA-N	290.746	4.686	70	10	CJIE	
CC(C)(C)NC[C@@H](CCOc1ccccc1)C1CCCC1	159997802	BLFBUXMSORVSPG-QGZVFWFLSA-N	289.463	4.650	70	10	CJIE	
COc1cc(N[C@@H](C)c2ccc(C)c(C)c2)ccc1F	160090935	BPILZUXLUXZINR-ZDUSSCGKSA-N	273.351	4.624	70	10	CJIE	
CCOc1ccc(NCc2cc(Cl)ccc2F)c(C)c1	160779848	SYWSBVGWFQAMHZ-UHFFFAOYSA-N	293.769	4.798	70	10	CJIE	
CCNCc1cccc(-c2c(C)ccc3ccccc23)c1	160960988	DADLDFRMKDFGEG-UHFFFAOYSA-N	275.395	4.925	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)cc1)[C@@H]1CCC[C@@H](C)C1	217982995	ALJOTHNFNKSHRS-ATZDWAIDSA-N	273.464	4.596	70	10	CJIE	
COc1c(C)ccc(N[C@@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c1C	218098981	YUPIRXAUJIEIOH-ZNFSNMQZSA-N	285.431	4.549	70	10	CJIE	
CCCOc1ccc(Cl)cc1N[C@H]1C[C@H]2CC=C[C@@H]12	218102932	WFOQGIAEKISFMN-BNOWGMLFSA-N	277.795	4.505	70	10	CJIE	
CCCN[C@@H]1CC[C@H](CCC)C[C@@H]1N1CCCCCCC1	218614308	UEMSAWSJTOGDOM-OTWHNJEPSA-N	294.527	4.590	70	10	CJIE	
CCN[C@@H]1CCCCCCCCCC[C@@H]1N(C)[C@@H](C)CC	218624919	XTTCKIKPXZRYEI-OTWHNJEPSA-N	296.543	4.978	70	10	CJIE	
CCCc1cccc([C@@H](O)c2cc3c(s2)CCCC3)c1	159817652	UKJQKIXINPKJMB-GOSISDBHSA-N	286.440	4.661	70	10	CJIE	
CCNC[C@@H](C[C@@H]1CSc2ccccc21)C1CCCC1	159931296	MJCRGGWFZMEWTF-HZPDHXFCSA-N	289.488	4.682	70	10	CJIE	
CCC[C@@H]1CCC[C@H](Nc2ccc(F)c(OC)c2)CC1	160130240	AEUXNALTAGNHAZ-KGLIPLIRSA-N	279.399	4.995	70	10	CJIE	
C[C@@H]1Nc2ccc(Cl)cc2O[C@@H]1c1cccc(Cl)c1	160566142	MPIAYXAHPVOXHM-VFZGTOFNSA-N	294.181	4.928	70	10	CJIE	
COc1cccc2ccc(CNc3ccccc3Cl)nc12	161130911	KIWWSZWYICNEQU-UHFFFAOYSA-N	298.773	4.509	70	10	CJIE	
CCN[C@H](Cc1ccc(CC)s1)c1ccc(C)cc1C	161208952	RDYDLHSPLXYKLZ-GOSISDBHSA-N	287.472	4.821	70	10	CJIE	
CCCOc1cccc2c(C(C)C)c(CNC3CC3)oc12	161401175	IRMBBDSFLZQHBN-UHFFFAOYSA-N	287.403	4.597	70	10	CJIE	
CCCC[C@H](NCCCC1CC1)c1ccc(F)cc1	161451093	JHIQXPSTUVYXDV-KRWDZBQOSA-N	263.400	4.837	70	10	CJIE	
CCCN[C@H]1CC[C@H](CCC)C[C@@H]1n1ccnc1C(C)C	216785508	BJLDXTNAWXWDKY-ULQDDVLXSA-N	291.483	4.516	70	10	CJIE	
CCC[C@@H]1CC[C@@H](O)[C@@H](Cc2ccc(F)cc2Cl)C1	218295952	UENYGJFKFOXVJI-AXAPSJFSSA-N	284.802	4.599	70	10	CJIE	
CC[C@@H](O[C@H]1C[C@@H](C)CC(C)(C)C1)C(=O)c1ccccc1	218411664	RBVZFXVBNMWCSC-HYVNUMGLSA-N	288.431	4.879	70	10	CJIE	
CN[C@@H]1CCCCCCCCCC[C@H]1N(C)CC(C)(C)C	218706251	KXIOMQIROSKQTK-QZTJIDSGSA-N	296.543	4.836	70	10	CJIE	
Cc1cc(Br)c([C@@H]2C[C@@H]2[B-](F)(F)F)s1	1882185028	NJGABQBNDPOIJJ-RITPCOANSA-N	283.929	4.524	70	10	CJIE	
C=C(CCS[C@H]1CCC[C@@H](C)C1)[B-](F)(F)F	1959654283	YDBJDYYGLWBUOP-KOLCDFICSA-N	251.146	4.631	70	10	CJIE	
CC(C)=C(CN(C)C1CCC(C)(C)CC1)[B-](F)(F)F	2317997836	LVQYIOSFVUIZNS-UHFFFAOYSA-N	276.175	4.610	70	10	CJIE