smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@H](Br)C(=O)N[C@H](CC(N)=O)C(=O)O	1690183	UPOMSAYUXMKAOY-IUYQGCFVSA-N	267.079	-0.785	50	50	CBGA	
NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1	5774993	YZVZYBIYGVEGFA-SNVBAGLBSA-N	269.326	-0.170	50	50	CBGA	
CC(=O)Nc1ccc(S(=O)(=O)NNC(N)=O)cc1	3086382	XGEUCSQEBBTZKR-UHFFFAOYSA-N	272.286	-0.493	50	50	CBGA	
CS(=O)(=O)c1cc(C(F)(F)F)ccc1B(O)O	170002150	NMHFJXFQCWERDD-UHFFFAOYSA-N	268.021	-0.211	50	50	CBGA	
NNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21	4521214	KOZWHQPRAOJMBN-BKPPORCPSA-N	258.347	-0.298	50	50	CBGA	in-vitro
Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1B(O)O	169746368	IQWDTJUPZNXTFW-UHFFFAOYSA-N	271.147	-0.248	50	50	CBGA	
O=[N+]([O-])c1cc(B(O)O)ccc1N1CCOCC1	382744541	VZRXGCBGMSVHNI-UHFFFAOYSA-N	252.035	-0.889	50	50	CBGA	
O=C(NNC(=O)[C@@H]1C[C@@H]2CC[C@H]1O2)c1ncccn1	1875309629	GGEFLTTYCSDPCB-DJLDLDEBSA-N	262.269	-0.195	50	50	CBGA	
O=C(O)/C=C/C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	2566724	ARTIKKXLRLEVCJ-SNAWJCMRSA-N	279.208	-0.003	50	50	CBGA	
C[C@H](Cl)C(=O)NC[C@@H](Cc1cnn(C)c1)C(N)=O	1875378046	UUUFLULFBXVYGA-IONNQARKSA-N	272.736	-0.192	50	50	CBGA	
O=C1CCN(Cc2cc(F)cc(B(O)O)c2)CC1	230526194	RUNDPPVZGVNLEA-UHFFFAOYSA-N	251.066	-0.330	50	50	CBGA	
O=S(=O)(NC1CC1)c1cc(F)c(B(O)O)cc1F	230555641	UVDGPDJRKHZSID-UHFFFAOYSA-N	277.057	-0.915	50	50	CBGA	
Cc1ccc(B(O)O)cc1OCCCN1CCNCC1	230529222	ONNKKYPAZMNVQD-UHFFFAOYSA-N	278.161	-0.651	50	50	CBGA	
O=C(NNC(=O)c1ccco1)C(=O)N1CCCC1	15659022	NQVUSSYIULLBHA-UHFFFAOYSA-N	251.242	-0.337	50	50	CBGA	
C[C@]12CCCC[C@]1(O)NC(=O)[C@@]21C(=O)NC(N)=C1C#N	169378355	BFMIBMWCULQSAE-YNEHKIRRSA-N	276.296	-0.805	50	50	CBGA	
O=C(CCl)NNC(=O)c1noc2c1COCC2	1875377486	FPQFKCLGIUNLMK-UHFFFAOYSA-N	259.649	-0.253	50	50	CBGA	
CC1CCN(S(=O)(=O)c2ccc(B(O)O)cc2)CC1	169744283	ARVNTVVSGLEIAQ-UHFFFAOYSA-N	283.158	-0.213	50	50	CBGA	
CC(C)(C)OC(=O)N1CCN(CC(=O)NN)CC1	70461071	NCLOSKBJSQUTTQ-UHFFFAOYSA-N	258.322	-0.471	50	50	CBGA	in-vitro
O=S(=O)(CCCCl)Nc1cccc(B(O)O)c1	169745404	LWZDXIWINJAQDN-UHFFFAOYSA-N	277.538	-0.263	50	50	CBGA	in-vitro
O=C(O)[C@H]1CN[C@@H](c2ccc(B(O)O)cc2)S1	169744740	PYWNZIONXIFVBU-RKDXNWHRSA-N	253.088	-0.845	50	50	CBGA	
CN(C)[C@]1(C)CCN(C(=O)c2cccc(B(O)O)c2)C1	1615585637	FPBFYJOYZRFHTL-CQSZACIVSA-N	276.145	-0.467	50	50	CBGA	
O=C(CCl)N1CCS(=O)(=O)N2CCOC[C@H]12	1875377981	SLSOAMILFOUKGM-SSDOTTSWSA-N	268.722	-0.945	50	50	CBGA	
O=C(O)c1cc(Br)c(F)c(B(O)O)c1	169902005	CTJDZRABMGZXBA-UHFFFAOYSA-N	262.827	-0.034	50	50	CBGA	
COCCNC(=O)C(=O)N/N=C/c1ccc(C)o1	2820222	IDTNQPZXAZAZDA-NTUHNPAUSA-N	253.258	-0.199	50	50	CBGA	
COC(=O)[C@H]1CS[C@H](C(=O)OC)N1C(=O)CCl	168655	RXZZIAITFTYZMS-IYSWYEEDSA-N	281.717	-0.159	50	50	CBGA	
COc1ccc(B(O)O)cc1S(=O)(=O)NC1CCCC1	230548668	MLFNUQCLIRLQKX-UHFFFAOYSA-N	299.157	-0.404	50	50	CBGA	
O=C(c1cc(B(O)O)ccc1Cl)N1CCC(O)CC1	230547608	UVCZAXRIQKQDPB-UHFFFAOYSA-N	283.520	-0.383	50	50	CBGA	
OB(O)c1ccc(Cl)c(CN2CCOCC2)c1	230545349	KGNNBWAXQFVFJY-UHFFFAOYSA-N	255.510	-0.148	50	50	CBGA	
CCOC(=O)NNS(=O)(=O)c1cccc2nn(C)nc12	1615613195	GJAKZGRMXNZFRQ-UHFFFAOYSA-N	299.312	-0.092	50	50	CBGA	
C[C@H](Cl)C(=O)NCC1(O)CCS(=O)(=O)CC1	1875363569	JRSZRUVRAQLRTH-ZETCQYMHSA-N	269.750	-0.330	50	50	CBGA	
CO[Si](CCCNCCNCCN)(OC)OC	169743208	NHBRUUFBSBSTHM-UHFFFAOYSA-N	265.430	-0.608	50	50	CBGA	
C[C@H](Cl)C(=O)NCC(=O)NCCN1CCOCC1	1875363607	MBQRBDSPYWEICD-VIFPVBQESA-N	277.752	-0.822	50	50	CBGA	
OB(O)c1ccc(OCCN2CCCC2)c(F)c1	396144316	YSRSVXDUDWPSSA-UHFFFAOYSA-N	253.082	-0.020	50	50	CBGA	
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NN	4531675	IIAZPXGGUWPKRC-QMMMGPOBSA-N	269.305	-0.165	50	50	CBGA	
CCCCNS(=O)(=O)c1ccc(B(O)O)cc1	169745714	BEBIGVQNUYZEPK-UHFFFAOYSA-N	257.120	-0.555	50	50	CBGA	in-vitro
COc1ccc(B(O)O)cc1S(=O)(=O)N1CCCCC1	169743943	DRXNMNKYEDFECK-UHFFFAOYSA-N	299.157	-0.450	50	50	CBGA	
C[C@@]1(CC(=O)NN)OC[C@H](CN2CCCCC2)O1	4863082	JLLOWAOKYLOTAY-CMPLNLGQSA-N	257.334	-0.016	50	50	CBGA	
CC(C)[C@H](NC(=O)CNC(=O)CCl)C(=O)O	1635541	BKNMSZCXSKJYBI-QMMMGPOBSA-N	250.682	-0.433	50	50	CBGA	
OB(O)c1cccc(OCCCN2CCOCC2)c1	230525825	PGTSLZSEOJFCCY-UHFFFAOYSA-N	265.118	-0.533	50	50	CBGA	
COC(=O)N/N=C/c1c[n+]([O-])c2ccccc2[n+]1[O-]	156806	OVGGLBAWFMIPPY-WUXMJOGZSA-N	262.225	-0.204	50	50	CBGA	endogenous,in-man
CCN(CC)S(=O)(=O)c1ccc(C)c(B(O)O)c1	169745361	ZMDFCDXLFOODQX-UHFFFAOYSA-N	271.147	-0.295	50	50	CBGA	in-vitro
CN1CCN(CCCOc2ccc(B(O)O)cc2F)CC1	230527780	QMYBOAMNRNHGLR-UHFFFAOYSA-N	296.151	-0.478	50	50	CBGA	
OB(O)c1ccc(CN2CCC3(CC2)OCCO3)c(F)c1	230546790	PKCOMAOCGQSQQT-UHFFFAOYSA-N	295.119	-0.156	50	50	CBGA	
CC(C)CNS(=O)(=O)c1ccc(B(O)O)cc1	230819768	HQBHGKKNILCXCY-UHFFFAOYSA-N	257.120	-0.699	50	50	CBGA	
CCN1CCN(C(=O)c2cc(B(O)O)ccc2Cl)CC1	230546004	RBRBLRNDFWKZFW-UHFFFAOYSA-N	296.563	-0.203	50	50	CBGA	
C[C@H](Cl)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1	306960125	BEUOWNXPEQYZNS-BQBZGAKWSA-N	254.739	-0.236	50	50	CBGA	
Cc1cc(S(=O)(=O)NC(C)C)ccc1B(O)O	169746376	WTJJGVBICYULNX-UHFFFAOYSA-N	257.120	-0.638	50	50	CBGA	
CN(C)S(=O)(=O)c1ccc(B(O)O)c(C(F)(F)F)c1	169746371	SYZSCAQVGVKZPK-UHFFFAOYSA-N	297.063	-0.365	50	50	CBGA	
C[C@H]1CN(C(=O)c2ccc(B(O)O)c(C=O)c2)C[C@@H]1C	2325873785	TXNSBCXSROFZOL-UWVGGRQHSA-N	275.113	-0.093	50	50	CBGA	
Cc1cc(B(O)O)ccc1OCCN1CCOCC1	169929294	BBDSLNZICSZQJI-UHFFFAOYSA-N	265.118	-0.614	50	50	CBGA	
O=C(NCc1nnc2c(=O)[nH]ccn12)[C@@H](F)Cl	2325898589	MXLNEVGUVWHVNE-RXMQYKEDSA-N	259.628	-0.432	50	50	CBGA	
CC(=O)OC(OC(C)=O)c1ccc(B(O)O)cc1	169934363	WQQIEDWQBJYVAE-UHFFFAOYSA-N	252.031	-0.509	50	50	CBGA	in-vitro
COc1cccn2ncc(C(=O)NNC(=O)C(C)(C)O)c12	928996437	RZDJVNWPVFZMKD-UHFFFAOYSA-N	292.295	-0.125	50	50	CBGA	
CCN1CCN(c2cc(F)cc(B(O)O)c2)CC1	230546985	OZEKIGMTDMUQLC-UHFFFAOYSA-N	252.098	-0.353	50	50	CBGA	
CCC[C@@H]1[C@@](C)(O)NC(=O)[C@]12C(=O)NC(N)=C2C#N	253471751	YXTSTAQDPDJUDK-HFKOZYHYSA-N	264.285	-0.949	50	50	CBGA	
NNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	4955947	MQGPASPQQVZWAA-UHFFFAOYSA-N	288.285	-0.747	50	50	CBGA	
CCN1CCN(CCOc2cccc(B(O)O)c2)CC1	203188430	NIVTVPHRWSZRDW-UHFFFAOYSA-N	278.161	-0.617	50	50	CBGA	
O=S(=O)(c1ccccc1B(O)O)N1CCCCC1	169746386	PTSWGJSCDHDBRA-UHFFFAOYSA-N	269.131	-0.459	50	50	CBGA	
CCN1C(=O)[C@H]2CN(C(=O)CCl)CCN2C1=O	1116439025	CQCZWLOYOMXREE-SSDOTTSWSA-N	259.693	-0.280	50	50	CBGA	
O=C(O)[C@H]1CS[C@@H](c2cccc(B(O)O)c2)N1	169744785	AJQGEUUPHQJVEO-BDAKNGLRSA-N	253.088	-0.845	50	50	CBGA	
O=C(CBr)N1CC([N+](=O)[O-])([N+](=O)[O-])C1	34805177	JODKFOVZURLVTG-UHFFFAOYSA-N	268.023	-0.527	50	50	CBGA	investigational
C[C@@H](Cl)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1	306960128	BEUOWNXPEQYZNS-RQJHMYQMSA-N	254.739	-0.236	50	50	CBGA	
CC(C)(C)NS(=O)(=O)c1ccccc1B(O)O	169747767	TUEIURIZJQRMQE-UHFFFAOYSA-N	257.120	-0.557	50	50	CBGA	in-vitro
COC[C@@H]1CCCN([C@@H](C)C(=O)NNC(C)=O)C1	222245648	ONVNBCPIQTVTIC-GXSJLCMTSA-N	257.334	-0.099	50	50	CBGA	
O=Cc1cc(OCCCn2cncn2)ccc1B(O)O	2325854245	UMYIMDYIMLTIOM-UHFFFAOYSA-N	275.073	-0.761	50	50	CBGA	
NNC(=O)CN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O	5044450	MPZVOJUVPACFRU-BQBZGAKWSA-N	257.677	-0.506	50	50	CBGA	
CC(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O	5059906	VGGMLZPAIUUDCD-UHFFFAOYSA-N	261.237	-0.307	50	50	CBGA	
O=C(CCl)N1CC[C@@H](S(=O)(=O)NC2CC2)C1	1875374858	HQMZNKRJHOSZOH-MRVPVSSYSA-N	266.750	-0.092	50	50	CBGA	
O=C(c1cc(B(O)O)cc([N+](=O)[O-])c1)N1CCCCC1	169745765	LJDOEGHKIBCVDJ-UHFFFAOYSA-N	278.073	-0.099	50	50	CBGA	
O=S(=O)(NC1CC1)c1cc(F)c(F)cc1B(O)O	230536921	MBVOMXHVDZPIMQ-UHFFFAOYSA-N	277.057	-0.915	50	50	CBGA	
O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1[C@H]3C=C[C@H]([C@H]4C(=O)OC(=O)[C@@H]34)[C@@H]21	250663296	QYIOZTGZGGRHAI-RDRUWLKNSA-N	274.228	-0.320	50	50	CBGA	
C[C@@H](Cl)C(=O)N1CCN2CCS(=O)(=O)C[C@H]2C1	1875376227	PINAPLXZIBQQIJ-RKDXNWHRSA-N	280.777	-0.445	50	50	CBGA	
COc1ccc(/C=N/NC(=O)Cn2nnnc2N)cc1	437141	YBOPOBYXQCDNIO-AWNIVKPZSA-N	275.272	-0.586	50	50	CBGA	
CCC[C@@H]1[C@](C)(O)NC(=O)[C@]12C(=O)NC(N)=C2C#N	253471752	YXTSTAQDPDJUDK-MKCWBWRRSA-N	264.285	-0.949	50	50	CBGA	
OB(O)c1cnc(N2CCOCC2)c(C(F)(F)F)c1	1772572569	GDBGHATZGYELFU-UHFFFAOYSA-N	276.023	-0.383	50	50	CBGA	
O=C(c1cccc(B(O)O)c1)N1CCSCC1	169744974	KBUOGQLZRICCMV-UHFFFAOYSA-N	251.116	-0.445	50	50	CBGA	
NNC(=O)Cc1n[nH]c(=O)c2cc(-c3ccccc3)nn12	1775972916	CIZREYFYPAJRPB-UHFFFAOYSA-N	284.279	-0.383	50	50	CBGA	
CNC(=O)C(F)(F)C1(O)CCN(C(=O)CCl)CC1	1875377192	AQAKSJKLZQYXJB-UHFFFAOYSA-N	284.690	-0.040	50	50	CBGA	
CC(C)(C)NS(=O)(=O)c1sccc1B(O)O	169978151	KKWWEEGTWUESCU-UHFFFAOYSA-N	263.149	-0.495	50	50	CBGA	
NC(=O)N(N)c1nc(N2CCCC2)nc(N2CCCC2)n1	108989	OCMHVADQOFKKFT-UHFFFAOYSA-N	292.347	-0.169	50	50	CBGA	
COc1ccc(C(=O)NC(C)(C)C)c(B(O)O)c1	169977959	FKRGUEMYOYTQRO-UHFFFAOYSA-N	251.091	-0.097	50	50	CBGA	
COc1cc2c(cc1OC)C[C@@H](C(=O)NN)NC2	34926197	LOEGUZIBGCGRES-VIFPVBQESA-N	251.286	-0.292	50	50	CBGA	
C[C@@]1(CC(=O)NN)OC[C@@H](CN2CCCCC2)O1	4480813	JLLOWAOKYLOTAY-ZYHUDNBSSA-N	257.334	-0.016	50	50	CBGA	
O=C(NCCN1CCCC1)c1ccc(B(O)O)cc1	169745573	DFUQCLCSPLVOEO-UHFFFAOYSA-N	262.118	-0.808	50	50	CBGA	in-vitro
CC(C)CNC(=O)C(=O)NNC(=O)c1ccco1	4893130	ODFYZGWVBSGBGG-UHFFFAOYSA-N	253.258	-0.187	50	50	CBGA	
CCN(CC)S(=O)(=O)c1ccc(B(O)O)cc1C	1772572575	OCELUTZANROCLG-UHFFFAOYSA-N	271.147	-0.295	50	50	CBGA	
C[C@@H](Br)C(=O)N[C@H](CC(N)=O)C(=O)O	1690184	UPOMSAYUXMKAOY-QWWZWVQMSA-N	267.079	-0.785	50	50	CBGA	
CC(C)(C)OC(=O)NCc1ccc(N)cc1B(O)O	169904823	HHFWXUSZRNSYRM-UHFFFAOYSA-N	266.106	-0.027	50	50	CBGA	
CN1CCN(Cc2ccc(F)c(B(O)O)c2)CC1	199012522	DPEWPPGDRUSVNN-UHFFFAOYSA-N	252.098	-0.747	50	50	CBGA	
CCOC(=O)[C@H](O)[C@H](C)NS(=O)(=O)CCCCl	1875289263	BRSKNESTBRJZFL-JGVFFNPUSA-N	287.765	-0.153	50	50	CBGA	
O=C(O)/C=C/C(=O)NNC(=O)c1ccccc1O	2454723	YFYDBSIHPGSBLF-AATRIKPKSA-N	250.210	-0.206	50	50	CBGA	
COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)CCl	168657	RXZZIAITFTYZMS-CAHLUQPWSA-N	281.717	-0.159	50	50	CBGA	
C[C@]12CCCC[C@@]1(O)NC(=O)[C@@]21C(=O)NC(N)=C1C#N	169378353	BFMIBMWCULQSAE-RWMBFGLXSA-N	276.296	-0.805	50	50	CBGA	
O=C1CCN(C(=O)c2ccc(B(O)O)cc2F)CC1	230544001	MSAKQRLCLGEWNN-UHFFFAOYSA-N	265.049	-0.689	50	50	CBGA	
O=C(O)c1cc(F)c(B(O)O)cc1Br	169748153	YPNMKBPQTGVYEQ-UHFFFAOYSA-N	262.827	-0.034	50	50	CBGA	in-vitro
CN(C)S(=O)(=O)c1ccc(B(O)O)c2ccccc12	230553030	JWCNBOSPYQYQAG-UHFFFAOYSA-N	279.126	-0.230	50	50	CBGA	
Nc1nnnn1CC(=O)N/N=C/c1ccc(F)cc1	431950	OZULJDDYKFTZTK-WLRTZDKTSA-N	263.236	-0.455	50	50	CBGA	
O=C(O)c1cc(Br)cc(B(O)O)c1F	169748001	RFODFEHCGMALLT-UHFFFAOYSA-N	262.827	-0.034	50	50	CBGA	in-vitro
C[C@@H](Cl)C(=O)N1CCN2C(=O)N(C)C(=O)[C@@H]2C1	1875363966	FYXIQQYHKXHMGF-RQJHMYQMSA-N	259.693	-0.282	50	50	CBGA	
O=C(CN1CCOCC1)N/N=C/c1ccc(O)cc1O	19851842	MATGQKZHGSQIOP-RIYZIHGNSA-N	279.296	-0.120	50	50	CBGA	
C[C@@H](Cl)C(=O)NCC1CN(S(C)(=O)=O)C1	1875366447	KSNQUZGQNSPGSC-ZCFIWIBFSA-N	254.739	-0.379	50	50	CBGA	
Cc1ccnc(CNC(=O)c2ccc(B(O)O)c(C=O)c2)n1	2325873546	LAHWNZFURVWIOF-UHFFFAOYSA-N	299.095	-0.793	50	50	CBGA	
CCN(CC)C(=O)NCc1ccc(B(O)O)cc1	405113124	DDWHRCGZNRVFPJ-UHFFFAOYSA-N	250.107	-0.082	50	50	CBGA	
O=S(=O)(c1ccc(B(O)O)cc1)n1cccc1	169745299	ONVBIHCHPHSAMF-UHFFFAOYSA-N	251.072	-0.595	50	50	CBGA	in-vitro
O=C(NC1=NCCS1)c1cccc(B(O)O)c1	169746691	JKXDTFJXMNWUFU-UHFFFAOYSA-N	250.088	-0.801	50	50	CBGA	
Cc1ccc(B(O)O)cc1S(=O)(=O)NC(C)C	219561647	OZQBNWICBNCUGL-UHFFFAOYSA-N	257.120	-0.638	50	50	CBGA	
C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(C=O)c2)C[C@@H]1C	2325873783	TXNSBCXSROFZOL-AOOOYVTPSA-N	275.113	-0.093	50	50	CBGA	
CCOC(CN/C(C)=C(/C#N)C(=O)NC(N)=O)OCC	252497624	QKZVGOGDQGQICE-HJWRWDBZSA-N	284.316	-0.032	50	50	CBGA	
Cc1cc(S(=O)(=O)NC2CC2)ccc1B(O)O	169746369	KKXNAMHBRNMSBO-UHFFFAOYSA-N	255.104	-0.884	50	50	CBGA	
O=C(NNCNNC(=O)c1ccncc1)c1ccncc1	1671284	WWCIFIOLOMCRET-UHFFFAOYSA-N	286.295	-0.397	50	50	CBGA	in-man
O=C(NC[C@H]1CC[C@@H](O)C1)c1cccc(B(O)O)c1	584980444	ZZLUWQUQRKBNLD-JOYOIKCWSA-N	263.102	-0.743	50	50	CBGA	
COc1c(Br)cc(C=O)cc1B(O)O	169748138	UUPRSFVSYMWVRC-UHFFFAOYSA-N	258.864	-0.050	50	50	CBGA	
COc1cc2nc(C(=O)NN)c(=O)[nH]c2cc1OC	6160505	QRHGHMYPLMUWCH-UHFFFAOYSA-N	264.241	-0.456	50	50	CBGA	
CS(=O)(=O)N(CC(=O)NN)c1ccc(F)cc1	9189583	HVKSSHGQYWHXIP-UHFFFAOYSA-N	261.278	-0.418	50	50	CBGA	
O=Cc1c(OCC[C@H]2CCCNC2)cccc1B(O)O	2325825761	AIWSBLPAYHGTCW-LLVKDONJSA-N	277.129	-0.053	50	50	CBGA	
CCC1(O)CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1	584952881	PRLKYPJMXNMOCN-UHFFFAOYSA-N	295.119	-0.117	50	50	CBGA	
CCOc1cc(C(=O)NN)c(OCC)cc1C(=O)NN	669371748	XSSPHNOJIAIZCR-UHFFFAOYSA-N	282.300	-0.309	50	50	CBGA	
NNC(=O)CCN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O	5044457	NUONYCZFJBGFSI-YUMQZZPRSA-N	271.704	-0.116	50	50	CBGA	
CN1CCN(C(=O)[C@H]2CCCN2C(=O)CCl)CC1	1875362966	RKJDBVLYCQOXAD-SNVBAGLBSA-N	273.764	-0.010	50	50	CBGA	
NNC(=O)[C@H](CO)NC(=O)OCc1ccccc1	2526273	WUDRJXCGIRLAEC-VIFPVBQESA-N	253.258	-0.736	50	50	CBGA	in-vitro
CS(=O)(=O)N1CC=C(c2ccc(B(O)O)cc2)CC1	606241688	XUYQXOSHBCQDRS-UHFFFAOYSA-N	281.142	-0.585	50	50	CBGA	
CN1CCN(N2C=C(C#N)S(=O)(=O)C[C@H]2N(C)C)CC1	217041714	QCEIKPYIGICFGJ-LBPRGKRZSA-N	299.400	-0.868	50	50	CBGA	
CC(C)(C)OC(=O)NCc1cnccc1B(O)O	169954817	HKBZYJMXFLKZIR-UHFFFAOYSA-N	252.079	-0.214	50	50	CBGA	
CCCNC(=O)c1cc(B(O)O)cc([N+](=O)[O-])c1	169745510	HNHYFGGDBCBQMF-UHFFFAOYSA-N	252.035	-0.586	50	50	CBGA	in-vitro
CC(C)(C)NS(=O)(=O)c1cc(B(O)O)ccc1F	1772572522	OHQRAFOJBFZLID-UHFFFAOYSA-N	275.110	-0.418	50	50	CBGA	
Cc1cc(F)c(B(O)O)cc1S(=O)(=O)NC1CC1	230554816	NJGSIEUOUKOIOR-UHFFFAOYSA-N	273.094	-0.745	50	50	CBGA	
O=C(c1ccc(B(O)O)c(F)c1)N1CCSCC1	169744506	GJMHOAHLKULKHA-UHFFFAOYSA-N	269.106	-0.306	50	50	CBGA	
Nc1nonc1C(=O)N/N=C1\C(=O)Nc2ccccc21	5731659	JEBHOQPXDSBBMB-UHFFFAOYSA-N	272.224	-0.262	50	50	CBGA	
Cc1cc(S(=O)(=O)N2CCCC2)ccc1B(O)O	169746383	VOSJSAOOIDIZAB-UHFFFAOYSA-N	269.131	-0.541	50	50	CBGA	
Cc1ccc(B(O)O)cc1S(=O)(=O)NC1CCCC1	230550560	UHZICVSZSUWKAV-UHFFFAOYSA-N	283.158	-0.104	50	50	CBGA	
O=C(NC[C@@H]1CC[C@H](O)C1)c1cc(B(O)O)ccc1F	584980082	PVBUYWVVCRVGHI-SCZZXKLOSA-N	281.092	-0.604	50	50	CBGA	
Cc1cc(B(O)O)cc(C)c1S(=O)(=O)N1CCCC1	230537111	HCBGRLKZHUJREJ-UHFFFAOYSA-N	283.158	-0.232	50	50	CBGA	
NS(=O)(=O)c1cnn2c1CN(C(=O)CCl)CC2	1875374904	JEXWUNREBMZCNO-UHFFFAOYSA-N	278.721	-0.889	50	50	CBGA	
CSCCCNC(=O)c1cccc(B(O)O)c1	584947748	AENJVRDABNODDW-UHFFFAOYSA-N	253.132	-0.151	50	50	CBGA	
N[C@@H](CCSSCC[C@H](N)C(=O)O)C(=O)O	1529294	ZTVZLYBCZNMWCF-WDSKDSINSA-N	268.360	-0.028	50	50	CBGA	endogenous,in-man
OB(O)c1cccc(OCCN2CCC(O)CC2)c1	230525513	VXHSWDJMRHEGKL-UHFFFAOYSA-N	265.118	-0.798	50	50	CBGA	
C[C@H](Br)C(=O)NCC(=O)NCC(=O)O	1575459	XDBDRCFCQAKVQM-BYPYZUCNSA-N	267.079	-0.913	50	50	CBGA	
O=S(=O)(c1ccc(B(O)O)cc1)N1CCCC1	169743968	LSQCNEYLDWKDHO-UHFFFAOYSA-N	255.104	-0.849	50	50	CBGA	
O=C(c1ccc(Cl)c(B(O)O)c1)N1CCOCC1	169744568	CXZUTSFZPQBIPI-UHFFFAOYSA-N	269.493	-0.508	50	50	CBGA	
O=S(=O)(c1ccc(B(O)O)cc1)N1CCCCC1	169745104	MIEADZYHESCCES-UHFFFAOYSA-N	269.131	-0.459	50	50	CBGA	in-vitro
O=C(CCl)NCCCN1CCCS1(=O)=O	1329670035	DFTFZKUKDYJIGF-UHFFFAOYSA-N	254.739	-0.233	50	50	CBGA	
CCNC(=O)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	2872943	JIBLXEYXOSRYQZ-AWNIVKPZSA-N	280.240	-0.113	50	50	CBGA	
C[C@]1(CC(=O)NN)OC[C@@H](CN2CCCCC2)O1	4863083	JLLOWAOKYLOTAY-PWSUYJOCSA-N	257.334	-0.016	50	50	CBGA	
N#Cc1cn(C2CN(C(=O)[C@@H](F)Cl)C2)c(=O)nc1O	2325898121	SZUJSINLKSOESY-SSDOTTSWSA-N	286.650	-0.262	50	50	CBGA	
Cc1ccc(/C=N/NC(=O)Cn2nnnc2N)cc1	267152	AOKNJCYBRLBXOH-AWNIVKPZSA-N	259.273	-0.286	50	50	CBGA	
C[C@@H](Cl)C(=O)NCC(=O)NCCN1CCOCC1	1875363606	MBQRBDSPYWEICD-SECBINFHSA-N	277.752	-0.822	50	50	CBGA	
C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1ccncc1	12343263	VKDQBTIDWVLPQP-KPKJPENVSA-N	290.243	-0.218	50	50	CBGA	
CCNS(=O)(=O)c1ccc(B(O)O)c(C(F)(F)F)c1	169934917	BORQJLWERYMYSD-UHFFFAOYSA-N	297.063	-0.317	50	50	CBGA	
C[C@@H](Cl)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1	306960127	BEUOWNXPEQYZNS-RNFRBKRXSA-N	254.739	-0.236	50	50	CBGA	
CC(C)(C)OC(=O)NC1CCN(CC(=O)NN)CC1	218921994	VFJJOPDETQTJDU-UHFFFAOYSA-N	272.349	-0.035	50	50	CBGA	
CN1CCC(=NNC(=O)C(=O)NCc2cccnc2)CC1	55433660	FQTGUSQBMXLPBH-UHFFFAOYSA-N	289.339	-0.104	50	50	CBGA	
NNC(=O)CN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O	100591019	MPZVOJUVPACFRU-RNFRBKRXSA-N	257.677	-0.506	50	50	CBGA	
O=C1CCN(C(=O)c2cc(B(O)O)ccc2Cl)CC1	230547466	KZIWQLVIUIJIBF-UHFFFAOYSA-N	281.504	-0.175	50	50	CBGA	
NC(=O)CCN(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1	1875383261	MORBKJNVWYIKMR-SSDOTTSWSA-N	282.749	-0.884	50	50	CBGA	
O=C(CCl)N1CCN2CCS(=O)(=O)C[C@H]2C1	1875374621	AMWGQFWYJMPFFM-MRVPVSSYSA-N	266.750	-0.834	50	50	CBGA	
N#Cc1cn(C2CN(C(=O)[C@H](F)Cl)C2)c(=O)nc1O	2325898122	SZUJSINLKSOESY-ZETCQYMHSA-N	286.650	-0.262	50	50	CBGA	
CCN(CC)S(=O)(=O)c1ccccc1B(O)O	169747971	DJGWUWODZFKVIY-UHFFFAOYSA-N	257.120	-0.603	50	50	CBGA	
COCCNC(=O)C(=O)NNC(=O)c1ccccc1C	4992224	XNRBOOOXAQDSBP-UHFFFAOYSA-N	279.296	-0.481	50	50	CBGA	
Cc1ccc(S(=O)(=O)N2CCCC2)cc1B(O)O	169745572	IWOBOEZYVVBMGG-UHFFFAOYSA-N	269.131	-0.541	50	50	CBGA	
CN1CCN(Cc2cccc(B(O)O)c2F)CC1	170001816	ABWOZFQERXZIDQ-UHFFFAOYSA-N	252.098	-0.747	50	50	CBGA	
CCN(CC)CCNC(=O)c1ccc(B(O)O)cc1	169745564	DROAKPBJDZLEDM-UHFFFAOYSA-N	264.134	-0.562	50	50	CBGA	in-vitro
COC(=O)[C@@H](N)CSSC[C@H](N)C(=O)OC	96036709	NXPNPYNCKSWEHA-WDSKDSINSA-N	268.360	-0.632	50	50	CBGA	biogenic,in-vitro
O=C(O)[C@@H]1CS[C@H](c2cccc(B(O)O)c2)N1	169744786	AJQGEUUPHQJVEO-DTWKUNHWSA-N	253.088	-0.845	50	50	CBGA	
CN1CCC(=NNC(=O)C(=O)NC[C@@H]2CCCO2)CC1	55455774	CJDRPZSZXPIZNN-NSHDSACASA-N	282.344	-0.521	50	50	CBGA	
COC(=O)c1ccc(B(O)O)n1C(=O)OC(C)(C)C	169746200	MUBAJJNRNZMQAJ-UHFFFAOYSA-N	269.062	-0.262	50	50	CBGA	
O=C(Nc1ccc(B(O)O)cc1)N1CCOCC1	204554227	ZQOUZXXGAUGNCI-UHFFFAOYSA-N	250.063	-0.770	50	50	CBGA	
OB(O)c1ccc(CN2CCC3(CC2)OCCO3)cc1	230545402	JKIZTNBKBGWIAF-UHFFFAOYSA-N	277.129	-0.295	50	50	CBGA	
N[C@@H](CCSSCC[C@@H](N)C(=O)O)C(=O)O	1712891	ZTVZLYBCZNMWCF-OLQVQODUSA-N	268.360	-0.028	50	50	CBGA	endogenous,in-man
NNC(=O)Cc1n[nH]c(=O)c2cc(-c3cccs3)nn12	1775973354	QURUJWXURIHSGI-UHFFFAOYSA-N	290.308	-0.322	50	50	CBGA	
COCC(=O)NNS(=O)(=O)c1ccc(F)cc1	2870173	QTLDASODYPAWHD-UHFFFAOYSA-N	262.262	-0.218	50	50	CBGA	
Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1B(O)O	169743964	PDKNOWSWRNUQHQ-UHFFFAOYSA-N	271.147	-0.248	50	50	CBGA	
CC(C)NS(=O)(=O)c1cc(B(O)O)ccc1F	1772572518	JTGJQQHMCBUZJQ-UHFFFAOYSA-N	261.083	-0.808	50	50	CBGA	
CC[C@]1(C)[C@@H]2SCC(=O)N2CCN1CC(=O)NN	36006174	WWUSFQTZBLCENN-WDEREUQCSA-N	272.374	-0.638	50	50	CBGA	
CN1CCC(=NNC(=O)C(=O)NC[C@H]2CCCO2)CC1	55455777	CJDRPZSZXPIZNN-LLVKDONJSA-N	282.344	-0.521	50	50	CBGA	
Cc1cc(F)c(B(O)O)cc1S(=O)(=O)N1CCCC1	230554504	IQJJLWKLWZRTDF-UHFFFAOYSA-N	287.121	-0.402	50	50	CBGA	
OB(O)c1ccccc1OCCN1CCOCC1	197957672	NGDHGFCVHWBNLB-UHFFFAOYSA-N	251.091	-0.923	50	50	CBGA	
NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1	5774996	YZVZYBIYGVEGFA-JTQLQIEISA-N	269.326	-0.170	50	50	CBGA	
O=C(O)[C@H]1CN[C@H](c2ccc(B(O)O)cc2)S1	169744742	PYWNZIONXIFVBU-BDAKNGLRSA-N	253.088	-0.845	50	50	CBGA	
COc1ccc(B(O)O)cc1S(=O)(=O)NC(C)C	230549430	PXZRYJMVGOLEPD-UHFFFAOYSA-N	273.119	-0.938	50	50	CBGA	
C[C@@H](Cl)C(=O)N1CCC[C@H]1CS(N)(=O)=O	1875364947	YTUKJDJRLBKLRK-RQJHMYQMSA-N	254.739	-0.107	50	50	CBGA	
CN1CCN(c2cc(Cl)ccc2B(O)O)CC1	170001784	XIKIPNVBAYJEDL-UHFFFAOYSA-N	254.526	-0.228	50	50	CBGA	
Cn1c(=O)c2c(ncn2CCBr)n(C)c1=O	187857	ZZWGXGHWFOTKNP-UHFFFAOYSA-N	287.117	-0.171	50	50	CBGA	
CC(C)(C)NS(=O)(=O)c1ccc(B(O)O)c(F)c1	230552703	AUYXGYBQPAVGFM-UHFFFAOYSA-N	275.110	-0.418	50	50	CBGA	
CCOC(=O)[C@@H](O)[C@@H](C)NS(=O)(=O)CCCCl	1875289264	BRSKNESTBRJZFL-SFYZADRCSA-N	287.765	-0.153	50	50	CBGA	
COC(=O)[C@]1(O)C(/C=C\CO)=C(Cl)[C@H](O)[C@@H]1Cl	2332919368	YPNCGPWYCLRZSX-QLKSCBOYSA-N	283.107	-0.086	50	50	CBGA	
CC1=NN2C(NC(=O)CCl)=CS[C@@H]2NC1=O	64864398	ZHALGNAGGUQCGZ-MRVPVSSYSA-N	260.706	-0.022	50	50	CBGA	
CCCCS(=O)(=O)NCc1ccc(B(O)O)cc1	404972388	ORCZPEPUSUKGSV-UHFFFAOYSA-N	271.147	-0.414	50	50	CBGA	
CC(C)[C@H](Br)C(=O)NCC(=O)NCC(=O)O	2164051	KISSGRWZJBZQAO-QMMMGPOBSA-N	295.133	-0.277	50	50	CBGA	
CN1CCN(CCCOc2ccc(B(O)O)cc2)CC1	230525366	PZCJFUYHXMZFPN-UHFFFAOYSA-N	278.161	-0.617	50	50	CBGA	
OB(O)c1ccc(OCCN2CCOCC2)c(Cl)c1	230545250	UCSGUFBFUFVYKE-UHFFFAOYSA-N	285.536	-0.269	50	50	CBGA	
CCN(CC)S(=O)(=O)c1ccc(B(O)O)c(C)c1	169746370	VBGGYOPYJVELPF-UHFFFAOYSA-N	271.147	-0.295	50	50	CBGA	
CN(C)C(=O)N[N+](=O)C1([N+](=O)[O-])COC(C)(C)OC1	198424181	AFHOYULPMIBCSV-UHFFFAOYSA-O	277.257	-0.293	50	50	CBGA	
CCC[C@@H]1[C@](C)(O)NC(=O)[C@@]12C(=O)NC(N)=C2C#N	253471755	YXTSTAQDPDJUDK-VSYUYLJXSA-N	264.285	-0.949	50	50	CBGA	
NNC(=O)C1(C(=O)NN)C23CC=CCC21CC=CC3	45071157	CLNZHNXAWCEUSC-UHFFFAOYSA-N	262.313	-0.361	50	50	CBGA	
O=C(O)[C@@H]1CN[C@H](c2ccc(B(O)O)cc2)S1	169744741	PYWNZIONXIFVBU-IUCAKERBSA-N	253.088	-0.845	50	50	CBGA	
COc1ccc(S(=O)(=O)N2CCCC2)cc1B(O)O	230547654	PDHQWEQAFBDYGR-UHFFFAOYSA-N	285.130	-0.841	50	50	CBGA	
CN(C)c1nc(OCc2ccccc2)ncc1B(O)O	169934791	ZZHMSMDVXYJZPL-UHFFFAOYSA-N	273.101	-0.199	50	50	CBGA	
Cc1ccc(B(O)O)cc1OCCCN1CCOCC1	230536607	XTSNOZWYFXKBEM-UHFFFAOYSA-N	279.145	-0.224	50	50	CBGA	
Cc1cn(S(=O)(=O)c2ccccc2B(O)O)cn1	170002168	LGEYFCRMARNSRM-UHFFFAOYSA-N	266.087	-0.892	50	50	CBGA	
CCN(CC)S(=O)(=O)c1cc(B(O)O)ccc1C	230538221	CDGBQUFINCDHBM-UHFFFAOYSA-N	271.147	-0.295	50	50	CBGA	
CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](C)Cl	1875363755	XWOSQMZKEBXNBE-JGVFFNPUSA-N	275.736	-0.533	50	50	CBGA	
NC(=S)NNC(=O)[C@@H]1COc2ccccc2O1	438119	LFAVCMQGAWVRJS-QMMMGPOBSA-N	253.283	-0.309	50	50	CBGA	
NNC(=O)c1[nH]ncc1I	4243759	OPDJNLXKTZTTFT-UHFFFAOYSA-N	252.015	-0.382	50	50	CBGA	
CC(=O)O[Si](OC(C)=O)(OC(C)=O)OC(C)=O	169810790	YZVRVDPMGYFCGL-UHFFFAOYSA-N	264.262	-0.326	50	50	CBGA	
CCNC(NCC)=C(C#N)c1nc(N)nc(N(C)C)n1	170610670	FGAVWNFJYGYWRR-UHFFFAOYSA-N	276.348	-0.069	50	50	CBGA	
N[C@H](CCSSCC[C@@H](N)C(=O)O)C(=O)O	1712893	ZTVZLYBCZNMWCF-PHDIDXHHSA-N	268.360	-0.028	50	50	CBGA	endogenous,in-man
CN1CCN(Cc2cc(F)cc(B(O)O)c2)CC1	211717568	FMJIWMWKONCOJN-UHFFFAOYSA-N	252.098	-0.747	50	50	CBGA	
CN(CC(=O)NN)c1ccc([N+](=O)[O-])c2nonc12	25758136	IDJGYEQXPMQJKF-UHFFFAOYSA-N	266.217	-0.443	50	50	CBGA	in-vitro
C[C@@H]1CCCN(S(=O)(=O)c2ccc(B(O)O)cc2)C1	169744432	ZCCLOYBMHNIKSD-SNVBAGLBSA-N	283.158	-0.213	50	50	CBGA	
O=C(c1ccc(B(O)O)c(Cl)c1)N1CCOCC1	169744533	OQKJPQSIYRSBBW-UHFFFAOYSA-N	269.493	-0.508	50	50	CBGA	
CS(=O)(=O)c1ccc(B(O)O)c(C(F)(F)F)c1	169746750	KRVRNINHXGLIEL-UHFFFAOYSA-N	268.021	-0.211	50	50	CBGA	in-vitro
CCN1CCN(Cc2ccc(B(O)O)c(F)c2)CC1	230528874	NZLSZPIERWZGRF-UHFFFAOYSA-N	266.125	-0.357	50	50	CBGA	
COC(=O)[C@]1(O)C(/C=C\CO)=C(Cl)[C@@H](O)[C@@H]1Cl	2332919366	YPNCGPWYCLRZSX-BJTZKDDDSA-N	283.107	-0.086	50	50	CBGA	
COc1ccc(I)c(B(O)O)c1	169998102	XQYAEIDOJUNIGY-UHFFFAOYSA-N	277.854	-0.020	50	50	CBGA	in-vitro
NNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1	2558841	BYLZUECTWAELHO-UHFFFAOYSA-N	251.286	-0.292	50	50	CBGA	in-vitro
OB(O)c1cc(F)c(F)c(N2CCC(O)CC2)c1	230539583	RLDPHWWYDLAXAD-UHFFFAOYSA-N	257.045	-0.394	50	50	CBGA	
CN1CCN(Cc2cc(F)ccc2B(O)O)CC1	230526729	YTOXKLAEFFZUNL-UHFFFAOYSA-N	252.098	-0.747	50	50	CBGA	
O=C(O)[C@@H]1CS[C@@H](c2cccc(B(O)O)c2)N1	169744784	AJQGEUUPHQJVEO-IUCAKERBSA-N	253.088	-0.845	50	50	CBGA	
OB(O)c1ccc(OCCN2CCOCC2)cc1	169794695	RCUWZKVTDDDVET-UHFFFAOYSA-N	251.091	-0.923	50	50	CBGA	in-vitro
CCN(CC)S(=O)(=O)c1cc(B(O)O)c(F)cc1C	230554612	NXARWLBMJOQWRF-UHFFFAOYSA-N	289.137	-0.156	50	50	CBGA	
CCCNS(=O)(=O)c1cc(B(O)O)ccc1F	1772572537	ZYSIHLULFVUNHT-UHFFFAOYSA-N	261.083	-0.806	50	50	CBGA	
Cc1cc(F)c(B(O)O)cc1S(=O)(=O)N(C)C	230554766	FTROVIFTSJFBAW-UHFFFAOYSA-N	261.083	-0.936	50	50	CBGA	
Cn1c(=O)c2c(ncn2C[C@H](O)CCl)n(C)c1=O	158201	XGBUEEIOXSVEQL-ZCFIWIBFSA-N	272.692	-0.967	50	50	CBGA	
Cc1ccc(B(O)O)cc1S(=O)(=O)NC(C)(C)C	230552602	QHFIHPWYTDWALC-UHFFFAOYSA-N	271.147	-0.248	50	50	CBGA	
COc1cc(B(O)O)c(C(OC)OC)cc1OC	170001722	JLSALKLPOZQGEV-UHFFFAOYSA-N	256.063	-0.325	50	50	CBGA	
COC(=O)CCC(=O)Nc1cccc(B(O)O)c1	170010556	JCXXEORIRNQKFJ-UHFFFAOYSA-N	251.047	-0.742	50	50	CBGA	
OB(O)c1cccc(N2CCC3(CC2)OCCO3)c1	199961031	PBNGPKQGEOKLMD-UHFFFAOYSA-N	263.102	-0.290	50	50	CBGA	
COc1nn(C)cc1C(=O)NNC(=O)c1cc(C)on1	1875313675	WQMXIJAJDPMCRY-UHFFFAOYSA-N	279.256	-0.200	50	50	CBGA	
Cc1cc(C)n(S(=O)(=O)c2ccccc2B(O)O)n1	170002323	IYYGDCREVTUHSN-UHFFFAOYSA-N	280.114	-0.583	50	50	CBGA	
N#C[C@@]12CN(C(=O)CCl)C[C@@H]1CS(=O)(=O)C2	1332343970	NFHKUWKEWXCJQC-APPZFPTMSA-N	262.718	-0.378	50	50	CBGA	
O=S(=O)(c1ccc(B(O)O)cc1)N1CCSCC1	169745595	ROGGFXZKSGGVQE-UHFFFAOYSA-N	287.171	-0.896	50	50	CBGA	
CN1CCN(c2cc(B(O)O)cc(F)c2F)CC1	230539623	IXFVHYCOHOOELR-UHFFFAOYSA-N	256.061	-0.604	50	50	CBGA	
OB(O)c1ccc2sc3ccc(B(O)O)cc3c2c1	169794922	ZRFLHPYMEWINRJ-UHFFFAOYSA-N	271.899	-0.586	50	50	CBGA	
CCN(C)NC(=O)c1ccc(S(=O)(=O)NC)nc1	408520894	AFIBRWJKERZHNL-UHFFFAOYSA-N	272.330	-0.414	50	50	CBGA	
O=S(=O)(c1cccnc1)N1CC[C@H](B(O)O)C1	585136881	XDDUQEHYWCQHHE-QMMMGPOBSA-N	256.092	-0.681	50	50	CBGA	
O=C(c1cccc(B(O)O)c1)N1CC(O)(C(F)(F)F)C1	1615585948	IKFDCSDGVBZLBS-UHFFFAOYSA-N	289.018	-0.884	50	50	CBGA	
O=C(O)[C@H]1CS[C@H](c2cccc(B(O)O)c2)N1	169744787	AJQGEUUPHQJVEO-RKDXNWHRSA-N	253.088	-0.845	50	50	CBGA	
CCOC(=O)CCNC(=O)c1ccc(B(O)O)cc1	169745323	KXZXCGXIKIEDCR-UHFFFAOYSA-N	265.074	-0.951	50	50	CBGA	in-vitro
C[C@H](Cl)C(=O)NC[C@H](Cc1cnn(C)c1)C(N)=O	1875378045	UUUFLULFBXVYGA-CBAPKCEASA-N	272.736	-0.192	50	50	CBGA	
COc1ccc(B(O)O)cc1S(=O)(=O)NC(C)(C)C	230550670	LLWKYPQKXDZYMQ-UHFFFAOYSA-N	287.146	-0.548	50	50	CBGA	
O=C(NC[C@H]1CC[C@H](O)C1)c1cccc(B(O)O)c1	584980443	ZZLUWQUQRKBNLD-CABZTGNLSA-N	263.102	-0.743	50	50	CBGA	
CS(=O)(=O)c1cc(B(O)O)cc(C(F)(F)F)c1	170002143	ROQDNHGSUXUHAX-UHFFFAOYSA-N	268.021	-0.211	50	50	CBGA	
OB(O)c1cnc(N2CCNCC2)c(C(F)(F)F)c1	1772718388	CQOGPHVHMMYKCE-UHFFFAOYSA-N	275.039	-0.810	50	50	CBGA	
OB(O)c1ccc(OCCN2CCNCC2)c(Cl)c1	230546051	WMVOMLUPFBGRGW-UHFFFAOYSA-N	284.552	-0.696	50	50	CBGA	
O=C(O)CCC(=O)NNC(=O)CNC(=O)C1CCCCC1	5050955	ROWHXZQICOXLKW-UHFFFAOYSA-N	299.327	-0.305	50	50	CBGA	
C[C@@H](Br)C(=O)NCC(=O)NCC(=O)O	2164053	XDBDRCFCQAKVQM-SCSAIBSYSA-N	267.079	-0.913	50	50	CBGA	
O=C1OC(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2[C@@H]2[C@H]1[C@@H]1C(=O)OC(=O)[C@@H]12	250663298	QYIOZTGZGGRHAI-YTAQVTJYSA-N	274.228	-0.320	50	50	CBGA	
CC(C)CC(=O)NS(=O)(=O)c1ccc(B(O)O)cc1	169746377	IVLBTLHEFYQBJN-UHFFFAOYSA-N	285.130	-0.783	50	50	CBGA	
Cc1nc(CC(=O)NN)sc1C(=O)NC1CC1	1775972943	FEEDOPJBIYVLKO-UHFFFAOYSA-N	254.315	-0.124	50	50	CBGA	
N=C(CCN1C(=O)c2ccccc2C1=O)NNC=O	4481684	OWKKEEBGSRMOJV-UHFFFAOYSA-N	260.253	-0.099	50	50	CBGA	
O=C1CCN(CCOc2ccc(B(O)O)cc2F)CC1	230528039	ZJXGQKXIDZBMIU-UHFFFAOYSA-N	281.092	-0.451	50	50	CBGA	
COc1cc2c(cc1OC)C[C@H](C(=O)NN)NC2	34926198	LOEGUZIBGCGRES-SECBINFHSA-N	251.286	-0.292	50	50	CBGA	
C[C@@H](Br)C(=O)N[C@@H](CC(N)=O)C(=O)O	1690182	UPOMSAYUXMKAOY-DMTCNVIQSA-N	267.079	-0.785	50	50	CBGA	
Cc1cc(C)nc(CCNC(=O)c2cccc(B(O)O)c2)n1	1614401359	QKSXJMKIVJDDFQ-UHFFFAOYSA-N	299.139	-0.254	50	50	CBGA	
O=Cc1c(OCC[C@@H]2CCCNC2)cccc1B(O)O	2325825762	AIWSBLPAYHGTCW-NSHDSACASA-N	277.129	-0.053	50	50	CBGA	
NNC(=O)Cn1nnc(-c2ccccc2Cl)n1	311060	VSGFKQBHTCLOHJ-UHFFFAOYSA-N	252.665	-0.017	50	50	CBGA	
NC(=O)NN[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O	547561	YMYJTULDXUCAPK-QMMMGPOBSA-N	266.232	-0.370	50	50	CBGA	
CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)Cl	1875363757	XWOSQMZKEBXNBE-YUMQZZPRSA-N	275.736	-0.533	50	50	CBGA	
CCC[C@H]1[C@]2(C(=O)NC(N)=C2C#N)C(=O)N[C@]1(C)O	253471754	YXTSTAQDPDJUDK-NZXMKCKXSA-N	264.285	-0.949	50	50	CBGA	
Cc1cc(O)n2nc(CNC(=O)CCl)nc2n1	1875374790	FEEGACIFSZADSE-UHFFFAOYSA-N	255.665	-0.007	50	50	CBGA	
O=C(Cc1n[nH]c(=O)[nH]c1=O)N/N=C/[C@H]1CC=CCC1	56070	OZJLAATUSFERIE-MTDSNMTDSA-N	277.284	-0.541	50	50	CBGA	
C[C@]1(CC(=O)NN)OC[C@H](CN2CCCCC2)O1	4863081	JLLOWAOKYLOTAY-JQWIXIFHSA-N	257.334	-0.016	50	50	CBGA	
COC(=O)[C@@H]1SC[C@@H](C(=O)OC)N1C(=O)CCl	168654	RXZZIAITFTYZMS-FSPLSTOPSA-N	281.717	-0.159	50	50	CBGA	
C[C@H](Cl)C(=O)N1CCOC[C@H]1CNS(C)(=O)=O	1875366927	YTEGBNLORKLMAI-JGVFFNPUSA-N	284.765	-0.610	50	50	CBGA	
NC(=O)NN[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O	100820741	YMYJTULDXUCAPK-MRVPVSSYSA-N	266.232	-0.370	50	50	CBGA	
C[C@@H](Cl)C(=O)NCCN1CCCS1(=O)=O	405943469	NXZMYSMPKNOYOQ-SSDOTTSWSA-N	254.739	-0.235	50	50	CBGA	
O=C(NNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)c1ccon1	1875271745	AIZUINYPWKJMEV-RCAZJZEASA-N	263.253	-0.141	50	50	CBGA	
CN1CCN(Cc2ccc(F)cc2B(O)O)CC1	199012505	QLZHNIJIWSSQDC-UHFFFAOYSA-N	252.098	-0.747	50	50	CBGA	
CCN1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1	230547039	YYYDSDYGEBYQOL-UHFFFAOYSA-N	280.108	-0.717	50	50	CBGA	
O=C(c1cccc(B(O)O)c1)N1CCC[C@@H]2C[C@@]21CO	1615586632	QESKIBPIDIANPD-BXUZGUMPSA-N	275.113	-0.647	50	50	CBGA	
CN1CCC(=NNC(=O)CN2CCOCC2)CC1	313167	DVYUYBCDWSXHRB-UHFFFAOYSA-N	254.334	-0.484	50	50	CBGA	
C[C@@H](Cl)C(=O)N1CCC[C@@H]1CS(N)(=O)=O	1875364946	YTUKJDJRLBKLRK-RNFRBKRXSA-N	254.739	-0.107	50	50	CBGA	
Cc1cc(B(O)O)cc(S(=O)(=O)N2CCCC2)c1	170002088	QASHSUFCVQTKNC-UHFFFAOYSA-N	269.131	-0.541	50	50	CBGA	
O=C1CC(CC(=O)N/N=C/c2ccc(O)cc2O)=NN1	100731465	QRRSBOAWTWSZEI-AWNIVKPZSA-N	276.252	-0.186	50	50	CBGA	
CCN(CC)S(=O)(=O)c1cc(B(O)O)ccc1OC	169745534	URMKPGLOFMAUIZ-UHFFFAOYSA-N	287.146	-0.595	50	50	CBGA	in-vitro
C[C@H](Cl)C(=O)NCCS(=O)(=O)N1CCOCC1	1875363501	FLQMTXQFSDBENY-QMMMGPOBSA-N	284.765	-0.608	50	50	CBGA	
O=C(CN1C(=O)N[C@H]2NC(=O)N[C@H]21)NN=C1CCCC1	110497	SXMJFSDBPHOMPK-BDAKNGLRSA-N	280.288	-0.977	50	50	CBGA	
OB(O)c1ccc(OCCCN2CCNCC2)c(F)c1	230527826	SXFFAAIVOKNNIO-UHFFFAOYSA-N	282.124	-0.820	50	50	CBGA	
NNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21	4521213	KOZWHQPRAOJMBN-FJXKBIBVSA-N	258.347	-0.298	50	50	CBGA	in-vitro
O=C(NC[C@H]1CC[C@@H](O)C1)c1cc(B(O)O)ccc1F	584980083	PVBUYWVVCRVGHI-WCBMZHEXSA-N	281.092	-0.604	50	50	CBGA	
CN1CCN(CC(=O)N/N=C\c2ccccn2)CC1	19339970	SMHPKBGOXAYTMQ-GDNBJRDFSA-N	261.329	-0.221	50	50	CBGA	
OB(O)c1ccc(CN2CCOCC2)c(Cl)c1	230547929	PZLZMUBDOIDHRM-UHFFFAOYSA-N	255.510	-0.148	50	50	CBGA	
CN1CCN(CCOc2ccc(B(O)O)cc2Cl)CC1	230546151	MAXIEUJJRXPFOO-UHFFFAOYSA-N	298.579	-0.354	50	50	CBGA	
CCN(CC)S(=O)(=O)c1ccc(OC)c(B(O)O)c1	230550357	BVUMZSLKWCXUAG-UHFFFAOYSA-N	287.146	-0.595	50	50	CBGA	
CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](C)Cl	1875363754	XWOSQMZKEBXNBE-HTQZYQBOSA-N	275.736	-0.533	50	50	CBGA	
CS[C@H]1O[C@H]([C@H](N)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O	71257052	TVVQUVMUAMNLLX-WCFBUKAXSA-N	271.766	-0.888	50	50	CBGA	in-vitro
CC(C)(C)NS(=O)(=O)c1ccc(B(O)O)cc1	169745612	BBTSLOMTYZIGGC-UHFFFAOYSA-N	257.120	-0.557	50	50	CBGA	in-vitro
CC(C)C[C@@H](NC(=O)CCl)C(=O)NCC(=O)O	1575463	GLNJBRSRENXZDO-SSDOTTSWSA-N	264.709	-0.043	50	50	CBGA	
COc1cccc(/C=N/NC(=O)Cn2nnnc2N)c1O	547566	SFNQIPXHBVFGBA-WLRTZDKTSA-N	291.271	-0.880	50	50	CBGA	
CN(NC(=O)Nc1ccc2c(c1)C(=O)NC2=O)C(N)=O	776301710	NFOLSAARAQOOCL-UHFFFAOYSA-N	277.240	-0.383	50	50	CBGA	
CN1CCN(c2cc(Br)cc(B(O)O)c2)CC1	169934614	OQKNZFDVGKUFHR-UHFFFAOYSA-N	298.977	-0.119	50	50	CBGA	
C[C@H]1C(=O)NN=C1C(=O)N/N=C1/C(=O)Nc2ccccc21	100556741	IKPHCVQSIQVMBE-ZCFIWIBFSA-N	285.263	-0.419	50	50	CBGA	
O=C(CCl)NCCS(=O)(=O)N1CCCC1	721845209	PGVHCSKCFRWAID-UHFFFAOYSA-N	254.739	-0.233	50	50	CBGA	
NNC(=O)CCN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O	102737201	NUONYCZFJBGFSI-SFYZADRCSA-N	271.704	-0.116	50	50	CBGA	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1B(O)O	169745128	QPJRVQFTOJXHOV-UHFFFAOYSA-N	283.158	-0.151	50	50	CBGA	
O=C(CN1CCOCC1)N/N=C/c1ccc([N+](=O)[O-])o1	19781702	VMDOZZHWILGPKU-KPKJPENVSA-N	282.256	-0.030	50	50	CBGA	
CCCCNS(=O)(=O)c1cccc(B(O)O)c1	169745338	LDUILYZFVFIMFG-UHFFFAOYSA-N	257.120	-0.555	50	50	CBGA	in-vitro
Cc1ccc(B(O)O)cc1S(=O)(=O)NC1CC1	230550460	WIVHFBCITVZVNG-UHFFFAOYSA-N	255.104	-0.884	50	50	CBGA	
COc1cccc(/C=N/NC(=O)C2=NNC(=O)[C@@H]2C)c1O	100371502	IHAXRNJDKYABKN-IOCLVDNSSA-N	290.279	-0.027	50	50	CBGA	
CN1CCN(Cc2ccc(B(O)O)cc2F)CC1	199011886	HITTZMNYLRWKIZ-UHFFFAOYSA-N	252.098	-0.747	50	50	CBGA	
CCCCS(=O)(=O)Nc1cccc(B(O)O)c1	169903918	UBLUCZZOOILMOJ-UHFFFAOYSA-N	257.120	-0.092	50	50	CBGA	
CC(C)(C)C(=O)NNC(=O)C(=O)N1CCOCC1	2820649	BPKKETUFPLEKOP-UHFFFAOYSA-N	257.290	-0.961	50	50	CBGA	
O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(B(O)O)c1	245224398	WBAACPSTIIWUDJ-HAQNSBGRSA-N	263.102	-0.600	50	50	CBGA	
O=S(=O)(c1ccccc1B(O)O)N1CCCC1	169745494	ONRDSHCJDLWHKN-UHFFFAOYSA-N	255.104	-0.849	50	50	CBGA	in-vitro
OB(O)c1ccc(N2CCC3(CC2)OCCO3)nc1	169952768	HZXCCOZZCLLKTG-UHFFFAOYSA-N	264.090	-0.895	50	50	CBGA	
OB(O)c1ccc(OCCN2CCOCC2)c(F)c1	230528297	DKLQAVFFLUKFNR-UHFFFAOYSA-N	269.081	-0.784	50	50	CBGA	
C[C@@H](Cl)C(=O)N1CCOC[C@H]1CNS(C)(=O)=O	1875366926	YTEGBNLORKLMAI-HTQZYQBOSA-N	284.765	-0.610	50	50	CBGA	
C[C@H]1C(=O)NN=C1C(=O)N/N=C/c1cccc(O)c1	103506839	PQDCKDANJSOJJF-NRLRWNIESA-N	260.253	-0.036	50	50	CBGA	
O=S(=O)(c1cccc(B(O)O)c1)N1CCCC1	169745516	RCRUXZHMXFQVRF-UHFFFAOYSA-N	255.104	-0.849	50	50	CBGA	in-vitro
CCCNS(=O)(=O)c1ccc(B(O)O)c(C)c1	169746382	QDJSKXQJUINZIX-UHFFFAOYSA-N	257.120	-0.637	50	50	CBGA	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=N/NC(N)=O)cc21	670429111	SBJQYNIYVNOMIK-WLRTZDKTSA-N	292.255	-0.213	50	50	CBGA	
CCOC(=O)[C@H](O)[C@@H](C)NS(=O)(=O)CCCCl	1875289262	BRSKNESTBRJZFL-HTQZYQBOSA-N	287.765	-0.153	50	50	CBGA	
CC(C)(C)NS(=O)(=O)c1ccc(B(O)O)cc1F	230551239	PIYBHQOGXHFNJL-UHFFFAOYSA-N	275.110	-0.418	50	50	CBGA	
O=C(CCl)N1CCn2c(nn(CC(F)F)c2=O)C1	1875377752	MVEFQOMXLUBWRF-UHFFFAOYSA-N	280.662	-0.109	50	50	CBGA	
CN1CCN(Cc2ccc(B(O)O)c(F)c2)CC1	230528771	PQCLZDROEBOKIK-UHFFFAOYSA-N	252.098	-0.747	50	50	CBGA	
O=C(NCc1nnc2c(=O)[nH]ccn12)[C@H](F)Cl	2325898590	MXLNEVGUVWHVNE-YFKPBYRVSA-N	259.628	-0.432	50	50	CBGA	
O=C1OC(=O)[C@H]2[C@@H]1[C@@H]1[C@@H]2[C@@H]2C=C[C@H]1[C@@H]1C(=O)OC(=O)[C@H]21	250663292	QYIOZTGZGGRHAI-BNGJREEGSA-N	274.228	-0.320	50	50	CBGA	
COc1ccc(C(=O)NCC(=O)NN)cc1OC	293865	LKQWCGBEIQYYQR-UHFFFAOYSA-N	253.258	-0.577	50	50	CBGA	biogenic,in-vitro
O=[P@H](O)CC[Si]12OCCN(CCO1)CCO2	217711107	SMKXPRSXOPWOGT-UHFFFAOYSA-N	267.294	-0.229	50	50	CBGA	
COc1ccc(CNC(=O)c2ccc(B(O)O)cn2)cc1	169903907	JNXUVKTWNOJCPO-UHFFFAOYSA-N	286.096	-0.300	50	50	CBGA	in-vitro
C[C@H](Cl)C(=O)N1CCN2CCS(=O)(=O)C[C@H]2C1	1875376225	PINAPLXZIBQQIJ-DTWKUNHWSA-N	280.777	-0.445	50	50	CBGA	
O=C(NCCCBr)c1ccc(B(O)O)cc1	169745138	VUIXTFJREFABTF-UHFFFAOYSA-N	285.934	-0.119	50	50	CBGA	
COCCOCCOCCOCCC(=O)NN	132567091	BWJIGUIALJCPML-UHFFFAOYSA-N	250.295	-0.937	50	50	CBGA	in-vitro
O=C(NC1=NCCS1)c1ccc(B(O)O)cc1	169746568	OJFHXSIPAXFCAJ-UHFFFAOYSA-N	250.088	-0.801	50	50	CBGA	
O=C(c1cc(Cl)cc(B(O)O)c1)N1CCOCC1	169746619	ZXFMDBGQTVWQQY-UHFFFAOYSA-N	269.493	-0.508	50	50	CBGA	in-vitro
C=CC(=O)N1CCN(S(=O)(=O)CBr)CC1	952879178	HHJOBPHTUHMUBE-UHFFFAOYSA-N	297.174	-0.001	50	50	CBGA	
Cc1c(C(=O)NNC(=O)c2cnccn2)cnc2ccnn12	2325819862	SJZVJZDBRXEGOI-UHFFFAOYSA-N	297.278	-0.097	50	50	CBGA	
C[C@H](Cl)C(=O)NC1CCN(c2nnnn2C)CC1	1875363521	HCSAAYZNUZJJGK-ZETCQYMHSA-N	272.740	-0.078	50	50	CBGA	
OB(O)c1ccc(OCCN2CCOCC2)cc1F	203557056	FDZNEGPVBVPYPQ-UHFFFAOYSA-N	269.081	-0.784	50	50	CBGA	
CCOC(=O)[C@@H](O)[C@H](C)NS(=O)(=O)CCCCl	1875289265	BRSKNESTBRJZFL-YUMQZZPRSA-N	287.765	-0.153	50	50	CBGA	
O=C(c1ccc(B(O)O)cc1)N1CCSCC1	169743966	YMJVTCLBGVZIKM-UHFFFAOYSA-N	251.116	-0.445	50	50	CBGA	
Cc1ccc(B(O)O)cc1S(=O)(=O)N1CCCC1	230540058	VDUFNJOAUXLGEH-UHFFFAOYSA-N	269.131	-0.541	50	50	CBGA	
O=C(N/N=C/c1ccccn1)C1=NNC(=O)[C@@H]1CCO	100573344	BTUBMWSPECHTAH-CULDGANSSA-N	275.268	-0.984	50	50	CBGA	
OB(O)c1cccc(OCCN2CCOCC2)c1	169904027	KUXSLEXAYSGYIE-UHFFFAOYSA-N	251.091	-0.923	50	50	CBGA	
CN1CCN(N2C=C(C#N)S(=O)(=O)C[C@@H]2N(C)C)CC1	217041747	QCEIKPYIGICFGJ-GFCCVEGCSA-N	299.400	-0.868	50	50	CBGA	
CC[C@@H](COC)NC(=O)c1ccc(B(O)O)c(C=O)c1	2325867031	IIGISDABNTYLTB-NSHDSACASA-N	279.101	-0.666	50	50	CBGA	
O=C(NC[C@@H]1CC[C@@H](O)C1)c1cccc(B(O)O)c1	584980442	ZZLUWQUQRKBNLD-BXKDBHETSA-N	263.102	-0.743	50	50	CBGA	
CCN1CCN(Cc2cc(B(O)O)ccc2F)CC1	230527261	NGNPBVNDRFHGRR-UHFFFAOYSA-N	266.125	-0.357	50	50	CBGA	
O=C(CCl)N1CCS(=O)(=O)N2CCOC[C@@H]12	1875377982	SLSOAMILFOUKGM-ZETCQYMHSA-N	268.722	-0.945	50	50	CBGA	
CS(=O)(=O)c1ccc(B(O)O)cc1OC(F)(F)F	170002195	ZAVITEUTVDETOA-UHFFFAOYSA-N	284.020	-0.332	50	50	CBGA	
COC(=O)[C@]1(O)C(/C=C\CO)=C(Cl)[C@@H](O)[C@H]1Cl	2332919367	YPNCGPWYCLRZSX-MRYKIOAVSA-N	283.107	-0.086	50	50	CBGA	
Cn1c(O)nnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CCl)C1	1875375297	YBDOGENRXSAEJY-XLPZGREQSA-N	288.735	-0.270	50	50	CBGA	
O=C(O)[C@@H]1CN[C@@H](c2ccc(B(O)O)cc2)S1	169744739	PYWNZIONXIFVBU-DTWKUNHWSA-N	253.088	-0.845	50	50	CBGA	
O=C(c1ccc(Cl)cc1B(O)O)N1CCOCC1	169904001	DDFIHSITKHAAKQ-UHFFFAOYSA-N	269.493	-0.508	50	50	CBGA	
CC(C)OC(=O)c1ccc(B(O)O)c([N+](=O)[O-])c1	169904706	FKPAMQONBPBHMF-UHFFFAOYSA-N	253.019	-0.160	50	50	CBGA	
NNC(=O)CNC(=O)COc1ccccc1Cl	4680175	IKDVDCAUVBEVFY-UHFFFAOYSA-N	257.677	-0.175	50	50	CBGA	
CC1=NN2C(NC(=O)CCl)=CS[C@H]2NC1=O	64864402	ZHALGNAGGUQCGZ-QMMMGPOBSA-N	260.706	-0.022	50	50	CBGA	
C[C@H](Cl)C(=O)N1CCC[C@@H]1CS(N)(=O)=O	1875364945	YTUKJDJRLBKLRK-NKWVEPMBSA-N	254.739	-0.107	50	50	CBGA	
CCN(CC)C(=O)c1cc(B(O)O)cc([N+](=O)[O-])c1	169744976	BSSTYJYXCIVGHB-UHFFFAOYSA-N	266.062	-0.243	50	50	CBGA	in-vitro
O=C(O)C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1	169746088	URCVWENBDSHRDE-UHFFFAOYSA-N	277.085	-0.697	50	50	CBGA	in-vitro
CN1CCN(C(=O)c2cc(B(O)O)ccc2Cl)CC1	230545500	PDDNKGPQOBJEIN-UHFFFAOYSA-N	282.536	-0.593	50	50	CBGA	
NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1	15424149	ZHEYGDXAZVAGQN-UHFFFAOYSA-N	291.354	-0.628	50	50	CBGA	
Cn1cc(I)c(C(=O)NN)n1	2565744	VCYHJTNZWXLRFR-UHFFFAOYSA-N	266.042	-0.372	50	50	CBGA	
O=C(Cc1nnc(O)[nH]c1=O)N/N=C/c1cccc(O)c1	18058801	RNRLIXQYUVBVHH-AWNIVKPZSA-N	289.251	-0.731	50	50	CBGA	
COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)CCl	168653	RXZZIAITFTYZMS-VDTYLAMSSA-N	281.717	-0.159	50	50	CBGA	
CC(C)(C)OC(=O)NNC(=O)CCOCCOCCN	669371060	UDVYFYDWDLXHPA-UHFFFAOYSA-N	291.348	-0.076	50	50	CBGA	
C[C@H]1CCCN(S(=O)(=O)c2ccc(B(O)O)cc2)C1	169744433	ZCCLOYBMHNIKSD-JTQLQIEISA-N	283.158	-0.213	50	50	CBGA	
CCOC(=O)CCNC(=O)c1cccc(B(O)O)c1	169745379	COZCKUUEUXAVCK-UHFFFAOYSA-N	265.074	-0.951	50	50	CBGA	in-vitro
O=S(=O)(NCc1ccccc1)c1ccc(B(O)O)cc1	169745116	LRHAPENXSWTNOS-UHFFFAOYSA-N	291.137	-0.155	50	50	CBGA	in-vitro
COCCNC(=O)C(=O)NNC(=O)c1ccccc1F	5915107	RNYYNGSXIHPSRW-UHFFFAOYSA-N	283.259	-0.651	50	50	CBGA	
O=C(O)c1c(F)ccc(Br)c1B(O)O	169901981	ZZKXENWZXHFTOO-UHFFFAOYSA-N	262.827	-0.034	50	50	CBGA	
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O	12958365	IYSNPOMTKFZDHZ-KQYNXXCUSA-N	285.691	-0.734	50	50	CBGA	in-vitro
CC[C@]1(C)[C@H]2SCC(=O)N2CCN1CC(=O)NN	36006171	WWUSFQTZBLCENN-GHMZBOCLSA-N	272.374	-0.638	50	50	CBGA	
C[C@@H](Cl)C(=O)N[C@@H]1COC[C@H]1N1CCOCC1	1875368670	JLMJMCNDWUPKAN-OPRDCNLKSA-N	262.737	-0.171	50	50	CBGA	
O=C(NCCN1CCCC1)c1cccc(B(O)O)c1	169745568	WTYUJWQIPJMDLL-UHFFFAOYSA-N	262.118	-0.808	50	50	CBGA	
O=C(c1ccc(B(O)O)cc1Cl)N1CCC(O)CC1	230549839	KNVBITGDGBWSOQ-UHFFFAOYSA-N	283.520	-0.383	50	50	CBGA	
COc1cc(N2CCN(C)CC2)ccc1B(O)O	255188452	JYUFUBZCWSKWDU-UHFFFAOYSA-N	250.107	-0.873	50	50	CBGA	
OB(O)c1ccc(CN2CCC3(CC2)OCCO3)cc1F	230555891	BNPTZJJRLPREMK-UHFFFAOYSA-N	295.119	-0.156	50	50	CBGA	
Cc1ccc(S(=O)(=O)NC(C)(C)C)c(B(O)O)c1	169746367	AWBYIPZEQVPQBT-UHFFFAOYSA-N	271.147	-0.248	50	50	CBGA	
Cc1cc(/C=N/NC(N)=O)c(O)c(/C=N/NC(N)=O)c1	2267776	HVWYWORSIVRBJK-VHUAAIQRSA-N	278.272	-0.295	50	50	CBGA	
CC(C)NC(=O)c1cc(B(O)O)cc([N+](=O)[O-])c1	169745522	PYKABFXJAFKIRR-UHFFFAOYSA-N	252.035	-0.587	50	50	CBGA	in-vitro
CC[C@@]1(C)[C@H]2SCC(=O)N2CCN1CC(=O)NN	36006172	WWUSFQTZBLCENN-MNOVXSKESA-N	272.374	-0.638	50	50	CBGA	
CC1(C)OB(c2cc(C(=O)NN)ccn2)OC1(C)C	170006832	HRZQSQMMTOKWIV-UHFFFAOYSA-N	263.106	-0.016	50	50	CBGA	
CN(C(C)(C)C)S(=O)(=O)c1cccc(B(O)O)c1	169746214	UNQUFVKIIUCSCR-UHFFFAOYSA-N	271.147	-0.215	50	50	CBGA	in-vitro
NC(=S)NNC(=O)[C@H]1COc2ccccc2O1	438120	LFAVCMQGAWVRJS-MRVPVSSYSA-N	253.283	-0.309	50	50	CBGA	
Cc1cc(B(O)O)cc(C)c1S(=O)(=O)N1CCOCC1	230538829	DPWCNHDAUCGNNQ-UHFFFAOYSA-N	299.157	-0.996	50	50	CBGA	
O=C(CCl)N1CC[C@H](S(=O)(=O)NC2CC2)C1	1875374859	HQMZNKRJHOSZOH-QMMMGPOBSA-N	266.750	-0.092	50	50	CBGA	
Cn1c(=O)c2c(ncn2C[C@@H](O)CCl)n(C)c1=O	158204	XGBUEEIOXSVEQL-LURJTMIESA-N	272.692	-0.967	50	50	CBGA	
O=C(NC[C@@H]1CC[C@@H](O)C1)c1cc(B(O)O)ccc1F	584980081	PVBUYWVVCRVGHI-PSASIEDQSA-N	281.092	-0.604	50	50	CBGA	
O=S(=O)(c1cc(F)c(F)cc1B(O)O)N1CCCC1	514281195	AYTATFGJGDLJQW-UHFFFAOYSA-N	291.084	-0.571	50	50	CBGA	
O=S(=O)(c1cccnc1)N1CC[C@@H](B(O)O)C1	585136880	XDDUQEHYWCQHHE-MRVPVSSYSA-N	256.092	-0.681	50	50	CBGA	
CCN1CCN(C(=O)c2ccc(B(O)O)cc2F)CC1	230545060	HPDFNSYESGZIJG-UHFFFAOYSA-N	280.108	-0.717	50	50	CBGA	
O=C(N/N=C/c1ccccn1)C1=NNC(=O)[C@H]1CCO	100573347	BTUBMWSPECHTAH-DUJAKZANSA-N	275.268	-0.984	50	50	CBGA	
Cn1cc(C(=O)NNC(=O)[C@H]2C[C@@H]3CCCC[C@H]3O2)nn1	2325792622	YZUHWHAUZLPHTC-JMJZKYOTSA-N	293.327	-0.076	50	50	CBGA	
O=C(NCCCBr)c1cccc(B(O)O)c1	169745366	UCDZSVDQSVCTSO-UHFFFAOYSA-N	285.934	-0.119	50	50	CBGA	in-vitro
Cc1cc(C)cc(NC(=O)NNC(=O)C(N)=O)c1	2156437	BZEOFCBDISKHIS-UHFFFAOYSA-N	250.258	-0.059	50	50	CBGA	
CCN1CCN(CCCOc2ccc(B(O)O)cc2)CC1	230525412	UNPDYZCASKNTGA-UHFFFAOYSA-N	292.188	-0.227	50	50	CBGA	
OB(O)c1ccc(CN2CCN(C3CC3)CC2)cc1	203176774	UPWRYNIERCFODW-UHFFFAOYSA-N	260.146	-0.354	50	50	CBGA	
COc1cccc(/C=N/NC(=O)C2=NNC(=O)[C@H]2C)c1O	100371509	IHAXRNJDKYABKN-GYXDYACRSA-N	290.279	-0.027	50	50	CBGA	
Cc1cc(S(=O)(=O)N2CCCCC2)ccc1B(O)O	169746381	JYDCZOXFKXVFOF-UHFFFAOYSA-N	283.158	-0.151	50	50	CBGA	
C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(C=O)c2)CCO1	2325873947	ZSXIHDNXGONVNK-SECBINFHSA-N	277.085	-0.960	50	50	CBGA	
CN(C)S(=O)(=O)c1cc(B(O)O)cc(C(F)(F)F)c1	170002331	WTODSRFWLUGBTD-UHFFFAOYSA-N	297.063	-0.365	50	50	CBGA	
COC(=O)[C@]1(O)C(/C=C\CO)=C(Cl)[C@H](O)[C@H]1Cl	2332919369	YPNCGPWYCLRZSX-YBIFODSUSA-N	283.107	-0.086	50	50	CBGA	
N#CCC(=O)NNC(=O)CN1C(=O)c2ccccc2C1=O	2573377	RZAYLXYNBRWHMF-UHFFFAOYSA-N	286.247	-0.656	50	50	CBGA	
C[C@H](Cl)C(=O)NCCNS(=O)(=O)Cc1ccon1	1875364127	IXIAYJFULZYCNW-ZETCQYMHSA-N	295.748	-0.163	50	50	CBGA	
NNC(=O)CCN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O	102737199	NUONYCZFJBGFSI-HTQZYQBOSA-N	271.704	-0.116	50	50	CBGA	
CC(C)NS(=O)(=O)c1ccc(B(O)O)cc1F	230551774	XAQCNIDMWUQBFG-UHFFFAOYSA-N	261.083	-0.808	50	50	CBGA	
OB(O)c1cc(Br)cc2c1OCCO2	169964641	UKEMOTXHAVNTDA-UHFFFAOYSA-N	258.864	-0.100	50	50	CBGA	
OB(O)c1ccc(OCCN2CCC(O)CC2)c(F)c1	230528090	QWEDXCRTQMHSEE-UHFFFAOYSA-N	283.108	-0.659	50	50	CBGA	
CN(C)[C@@]1(C)CCN(C(=O)c2cccc(B(O)O)c2)C1	1615585630	FPBFYJOYZRFHTL-AWEZNQCLSA-N	276.145	-0.467	50	50	CBGA	
C[C@@H](Cl)C(=O)NC[C@@H](Cc1cnn(C)c1)C(N)=O	1875378047	UUUFLULFBXVYGA-VXNVDRBHSA-N	272.736	-0.192	50	50	CBGA	
O=S(=O)(NCCCCl)c1ccc(B(O)O)cc1	169745110	GMRSAAZITPFUNA-UHFFFAOYSA-N	277.538	-0.726	50	50	CBGA	in-vitro
C[C@H](Cl)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1	306960126	BEUOWNXPEQYZNS-NKWVEPMBSA-N	254.739	-0.236	50	50	CBGA	
O=C(NC[C@H]1CC[C@H](O)C1)c1cc(B(O)O)ccc1F	584980084	PVBUYWVVCRVGHI-WPRPVWTQSA-N	281.092	-0.604	50	50	CBGA	
Cc1ccc(N2CCCS2(=O)=O)cc1B(O)O	170001858	HTGGFLQWKDCBER-UHFFFAOYSA-N	255.104	-0.785	50	50	CBGA	
O=C(O)c1cc(B(O)O)c(F)cc1Br	217045418	YRMXAMKOAVRFGG-UHFFFAOYSA-N	262.827	-0.034	50	50	CBGA	
CN1CCN(CCCOc2cccc(B(O)O)c2)CC1	230525663	TWDLCHCZTJYGQI-UHFFFAOYSA-N	278.161	-0.617	50	50	CBGA	
C[C@@H]1CCCN(S(=O)(=O)c2cccc(B(O)O)c2)C1	169744252	DLRNDOINJINCLN-SNVBAGLBSA-N	283.158	-0.213	50	50	CBGA	
C[C@H]1CCCCN1S(=O)(=O)c1ccc(B(O)O)cc1	169744330	XUJXGFBMHUUVFF-JTQLQIEISA-N	283.158	-0.071	50	50	CBGA	
OB(O)c1ccc(F)c(CN2CCC(O)CC2)c1	230527157	ONCNDEAZJHXFLM-UHFFFAOYSA-N	253.082	-0.538	50	50	CBGA	
CC(C)(C)OC(=O)NCc1cncc(B(O)O)c1	169916880	QPHNJNSTPOSZSM-UHFFFAOYSA-N	252.079	-0.214	50	50	CBGA	
Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3O2)nn1	2325792621	YZUHWHAUZLPHTC-GDPRMGEGSA-N	293.327	-0.076	50	50	CBGA	
CN1CCC(=NNC(=O)C(=O)NCc2ccccn2)CC1	55433566	MGOXGOSDSOVODY-UHFFFAOYSA-N	289.339	-0.104	50	50	CBGA	
O=C(c1ccc(B(O)O)cc1Cl)N1CCOCC1	169743963	HPRBSCDTOODIQX-UHFFFAOYSA-N	269.493	-0.508	50	50	CBGA	in-vitro
O=C(CN1C(=O)N[C@@H]2NC(=O)N[C@@H]21)NN=C1CCCC1	110491	SXMJFSDBPHOMPK-DTWKUNHWSA-N	280.288	-0.977	50	50	CBGA	
NNC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1	22586812	YNAAKTNMKUNIJJ-UHFFFAOYSA-N	292.339	-0.477	50	50	CBGA	
C[C@H]1CCCCN1S(=O)(=O)c1cccc(B(O)O)c1	169744085	IZHIWXZQLZLQGQ-JTQLQIEISA-N	283.158	-0.071	50	50	CBGA	
N#CCC(=O)NN=C1C=CC(=NNC(=O)CC#N)C=C1	253470528	BPYKOIFKIZAMMA-UHFFFAOYSA-N	270.252	-0.116	50	50	CBGA	
C[C@@H](Cl)C(=O)NCCS(=O)(=O)N1CCOCC1	1875363500	FLQMTXQFSDBENY-MRVPVSSYSA-N	284.765	-0.608	50	50	CBGA	
N=c1nn[nH]n1CC(=O)NN=CC=Cc1ccccc1	2049340781	BIKOTJXHBOGACJ-UHFFFAOYSA-N	271.284	-0.099	50	50	CBGA	
O=C(O)/C=C/C(=O)NNC(=O)c1ccc(O)cc1	2744424	JUJOILVOYUHPOL-AATRIKPKSA-N	250.210	-0.206	50	50	CBGA	
C[C@H]1CCCN(S(=O)(=O)c2cccc(B(O)O)c2)C1	169744253	DLRNDOINJINCLN-JTQLQIEISA-N	283.158	-0.213	50	50	CBGA	
CC(C)[C@@H](Br)C(=O)NCC(=O)NCC(=O)O	1635530	KISSGRWZJBZQAO-MRVPVSSYSA-N	295.133	-0.277	50	50	CBGA	
CN1CCN(Cc2c(F)cccc2B(O)O)CC1	170001812	DRZMBQBPXBXKDX-UHFFFAOYSA-N	252.098	-0.747	50	50	CBGA	
O=Cc1cc(C(=O)N2C3CCC2CC3)ccc1B(O)O	2325873335	DICTUSAJWVRTME-UHFFFAOYSA-N	273.097	-0.054	50	50	CBGA	
C[C@H](Cl)C(=O)NCCN1CCCS1(=O)=O	405943471	NXZMYSMPKNOYOQ-ZETCQYMHSA-N	254.739	-0.235	50	50	CBGA	
CN1CCN(C(=O)[C@@H]2CCCN2C(=O)CCl)CC1	1875362965	RKJDBVLYCQOXAD-JTQLQIEISA-N	273.764	-0.010	50	50	CBGA	
C[C@H](Cl)C(=O)N1CCC[C@H]1CS(N)(=O)=O	1875364944	YTUKJDJRLBKLRK-BQBZGAKWSA-N	254.739	-0.107	50	50	CBGA	
CC1CCN(S(=O)(=O)c2cccc(B(O)O)c2)CC1	169744328	KCFNPZMWUJEXKJ-UHFFFAOYSA-N	283.158	-0.213	50	50	CBGA	
C[C@@H](Cl)C(=O)NC[C@H](Cc1cnn(C)c1)C(N)=O	1875378044	UUUFLULFBXVYGA-APPZFPTMSA-N	272.736	-0.192	50	50	CBGA	
C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(C=O)c2)C[C@H]1C	2325873784	TXNSBCXSROFZOL-NXEZZACHSA-N	275.113	-0.093	50	50	CBGA	
Cc1cc(B(O)O)cc(C)c1S(=O)(=O)N(C)C	230538060	LXLPZSFYAKFYEA-UHFFFAOYSA-N	257.120	-0.766	50	50	CBGA	
CCN(CC)CCNC(=O)c1cccc(B(O)O)c1	169743935	VZVOUSQQNIQSPE-UHFFFAOYSA-N	264.134	-0.562	50	50	CBGA	in-vitro
COc1cc(C2OCCO2)cc(OC)c1B(O)O	169894038	FDZNSKXDSWDKNB-UHFFFAOYSA-N	254.047	-0.571	50	50	CBGA	
C[C@@H](Cl)C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O	1875366928	YTEGBNLORKLMAI-SFYZADRCSA-N	284.765	-0.610	50	50	CBGA	
CCN(CC)S(=O)(=O)c1cccc(B(O)O)c1	169745392	PSMCZVAPCNNYTE-UHFFFAOYSA-N	257.120	-0.603	50	50	CBGA	in-vitro
COc1ccc(S(=O)(=O)NC2CCCC2)cc1B(O)O	230550514	XJIYITKJDWOLOZ-UHFFFAOYSA-N	299.157	-0.404	50	50	CBGA	
O=S(=O)(NCc1ccccc1)c1cccc(B(O)O)c1	169745370	AYVLQZPFDWDKFW-UHFFFAOYSA-N	291.137	-0.155	50	50	CBGA	in-vitro
CCCCNC(=O)c1cc(B(O)O)cc([N+](=O)[O-])c1	169743917	BXFORXWKNBRZNX-UHFFFAOYSA-N	266.062	-0.196	50	50	CBGA	in-vitro
CCN(CC)S(=O)(=O)c1ccc(B(O)O)cc1	169745330	HMGSSHUKMMHXLR-UHFFFAOYSA-N	257.120	-0.603	50	50	CBGA	in-vitro
OB(O)c1ccc(OCCN2CCC(O)CC2)c(Cl)c1	230548471	JBCHJPHOVXNCOT-UHFFFAOYSA-N	299.563	-0.145	50	50	CBGA	
Nc1nnnn1CC(=O)NN=Cc1ccccc1O	252621709	NFDBKHSIGXEDPY-UHFFFAOYSA-N	261.245	-0.889	50	50	CBGA	
O=Cc1cc(C(=O)NCCc2ccon2)ccc1B(O)O	2325873411	GGDXBNQUFFYPAL-UHFFFAOYSA-N	288.068	-0.861	50	50	CBGA	
CCN(CC)S(=O)(=O)c1cc(OC)cc(B(O)O)c1	514287099	MTQBMEARIURRGL-UHFFFAOYSA-N	287.146	-0.595	50	50	CBGA	
COC(=O)c1nnn(-c2nonc2N)c1CSC#N	2881763	NSZBSXFUDRNCEE-UHFFFAOYSA-N	281.257	-0.267	50	50	CBGA	
O=S(=O)(c1cccc(B(O)O)c1)N1CCCCC1	169745457	HQOWPGGTRBFYFE-UHFFFAOYSA-N	269.131	-0.459	50	50	CBGA	
CN1CCN(Cc2cc(B(O)O)ccc2Cl)CC1	230545153	UQKCTHHIOPKUKA-UHFFFAOYSA-N	268.553	-0.233	50	50	CBGA	
CN1CCN(c2ccc(B(O)O)c(Cl)c2)CC1	170001717	GGGSWFYTTUHKNF-UHFFFAOYSA-N	254.526	-0.228	50	50	CBGA	
O=C1OC(=O)[C@@H]2[C@@H]1[C@@H]1[C@@H]2[C@H]2C=C[C@@H]1[C@H]1C(=O)OC(=O)[C@@H]21	250663294	QYIOZTGZGGRHAI-KTAYFMQGSA-N	274.228	-0.320	50	50	CBGA	
CC(C)(C)OC(=O)[C@H](N)c1ccc(B(O)O)s1	198817950	LOCLMYFLJSVJJE-MRVPVSSYSA-N	257.120	-0.231	50	50	CBGA	
OB(O)c1cc(F)cc(CN2CCC3(CC2)OCCO3)c1	230547369	GDFXYMLAZCZQJU-UHFFFAOYSA-N	295.119	-0.156	50	50	CBGA	
C[C@@H](Cl)C(=O)N1CCN2CCS(=O)(=O)C[C@@H]2C1	1875376224	PINAPLXZIBQQIJ-BDAKNGLRSA-N	280.777	-0.445	50	50	CBGA	
OB(O)c1ccc(CN2CCC(O)CC2)c(Cl)c1	230546298	MBWMSRVVCSCYQS-UHFFFAOYSA-N	269.537	-0.024	50	50	CBGA	
COC(=O)c1c(B(O)O)c(C)n(-c2cnccn2)c1C	536952042	ABFLOZUIJGBMLG-UHFFFAOYSA-N	275.073	-0.649	50	50	CBGA	
C#CCOCCOCCOc1cccc(B(O)O)c1C=O	2325826337	YTHPDKKXICKICL-UHFFFAOYSA-N	292.096	-0.776	50	50	CBGA	
C[C@@H]1C(=O)NN=C1C(=O)N/N=C1/C(=O)Nc2ccccc21	100556744	IKPHCVQSIQVMBE-LURJTMIESA-N	285.263	-0.419	50	50	CBGA	
NNC(=O)CN1CCN(c2ccc(F)cc2)CC1	55554711	HEESZBFQJOPLBI-UHFFFAOYSA-N	252.293	-0.062	50	50	CBGA	
NC(=S)NNC(=O)CCN1C(=O)c2ccccc2C1=O	25503682	JJOWYLQOVYOJOQ-UHFFFAOYSA-N	292.320	-0.463	50	50	CBGA	
CCOC(=O)C(C(=O)OCC)=C(N)NNC(=O)C(C)C	2856996	PFEZKPADCGXNIO-UHFFFAOYSA-N	287.316	-0.440	50	50	CBGA	
COc1ccc(COc2ncc(B(O)O)cn2)cc1	169904770	DDOPLKCYKQDZCF-UHFFFAOYSA-N	260.058	-0.256	50	50	CBGA	in-vitro
O=C(CCl)NCCn1nc2ccccn2c1=O	1875363760	YEXDUCSBCVZIJT-UHFFFAOYSA-N	254.677	-0.149	50	50	CBGA	
CC(C)[C@@H](NC(=O)CNC(=O)CCl)C(=O)O	1575461	BKNMSZCXSKJYBI-MRVPVSSYSA-N	250.682	-0.433	50	50	CBGA	
OB(O)c1ccc(CN2CCC(O)CC2)cc1F	230528720	HERAGRNBYRYLMG-UHFFFAOYSA-N	253.082	-0.538	50	50	CBGA	
Cc1cc(B(O)O)ccc1S(=O)(=O)N1CCCCC1	1772572581	WLQISZBYZLKCLX-UHFFFAOYSA-N	283.158	-0.151	50	50	CBGA	
CCN1CCN(Cc2ccc(B(O)O)cc2F)CC1	203187877	UCURDYLOSKSRNF-UHFFFAOYSA-N	266.125	-0.357	50	50	CBGA	
NNC(=O)c1cn(C[C@@H](O)Cc2ccccc2)nn1	1775973200	MYDVZDGTTGXKPH-JTQLQIEISA-N	261.285	-0.515	50	50	CBGA	
C[C@@H](Cl)C(=O)N1CCN2C(=O)N(C)C(=O)[C@H]2C1	1875363965	FYXIQQYHKXHMGF-RNFRBKRXSA-N	259.693	-0.282	50	50	CBGA	
O=C(NC1CC1)c1cc(B(O)O)cc([N+](=O)[O-])c1	169744910	RUOBGRNHHLTXGU-UHFFFAOYSA-N	250.019	-0.833	50	50	CBGA	in-vitro
O=C(c1cc(B(O)O)cc([N+](=O)[O-])c1)N1CCCC1	169745152	DAQRBZSNRHKVIM-UHFFFAOYSA-N	264.046	-0.489	50	50	CBGA	
CCN1C(=O)[C@@H]2CN(C(=O)CCl)CCN2C1=O	1116439026	CQCZWLOYOMXREE-ZETCQYMHSA-N	259.693	-0.280	50	50	CBGA	
CCCCS(=O)(=O)Nc1ccc(B(O)O)cc1	169903953	GFVQWMXOLYHARX-UHFFFAOYSA-N	257.120	-0.092	50	50	CBGA	
C[C@@H](Cl)C(=O)NCCNS(=O)(=O)Cc1ccon1	1875364125	IXIAYJFULZYCNW-SSDOTTSWSA-N	295.748	-0.163	50	50	CBGA	
NC(=O)CCN(C(=O)CCl)[C@H]1CCS(=O)(=O)C1	1875383262	MORBKJNVWYIKMR-ZETCQYMHSA-N	282.749	-0.884	50	50	CBGA	
CC(C)C[C@H](NC(=O)CCl)C(=O)NCC(=O)O	2164044	GLNJBRSRENXZDO-ZETCQYMHSA-N	264.709	-0.043	50	50	CBGA	
CCN1CCN(CCOc2ccc(B(O)O)cc2F)CC1	230528191	GGIHNPJLAKKDGR-UHFFFAOYSA-N	296.151	-0.478	50	50	CBGA	
O=S(=O)(c1cc(B(O)O)ccc1F)N1CCCCC1	1772572536	ZUGRAFFDSVYYCV-UHFFFAOYSA-N	287.121	-0.320	50	50	CBGA	
NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1	446156	FWIFKKUOURUDNG-UHFFFAOYSA-N	285.325	-0.689	50	50	CBGA	
OB(O)c1ccc(OCCCN2CCOCC2)c(F)c1	230527930	KJBZMTQVEIRBFX-UHFFFAOYSA-N	283.108	-0.393	50	50	CBGA	
O=C(c1cc(B(O)O)ccc1F)N1CCC(O)CC1	230547747	JWNZPTXJEUFQFR-UHFFFAOYSA-N	267.065	-0.898	50	50	CBGA	
NNC(=O)CN1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O	100591028	MPZVOJUVPACFRU-NKWVEPMBSA-N	257.677	-0.506	50	50	CBGA	
O=C(O)/C=C\C(=O)NNC(=O)c1ccccc1[N+](=O)[O-]	12366738	UURXOIPHQHRESN-WAYWQWQTSA-N	279.208	-0.003	50	50	CBGA	
CC(=O)NCCC[Si]12OCCN(CCO1)CCO2	169794791	KFXALKAYQCFPNA-UHFFFAOYSA-N	274.393	-0.170	50	50	CBGA	
C[C@H](Cl)C(=O)N1CCN2C(=O)N(C)C(=O)[C@@H]2C1	1875363963	FYXIQQYHKXHMGF-BQBZGAKWSA-N	259.693	-0.282	50	50	CBGA	
CCN(CC)C(=O)c1ccc(B(O)O)c(OC)c1	169745538	VKKSSTUUJZQAQY-UHFFFAOYSA-N	251.091	-0.143	50	50	CBGA	
NNC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	36020466	FFYPIRXKCXAXGE-UHFFFAOYSA-N	279.300	-0.293	50	50	CBGA	
COC(=O)c1cc(Br)cc(B(O)O)c1	169745720	CJSWOALHLRQFNX-UHFFFAOYSA-N	258.864	-0.085	50	50	CBGA	in-vitro
COc1ccc(N2C(=O)C[C@H](NNC(N)=O)C2=O)cc1	100605146	IFIJMOVUQOVRRO-VIFPVBQESA-N	278.268	-0.500	50	50	CBGA	
O=S(=O)(NC1CC1)c1ccc(B(O)O)c2ccccc12	230553831	QRVXRBHWWYILIP-UHFFFAOYSA-N	291.137	-0.040	50	50	CBGA	
CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1B(O)O	230536768	CYCIHRVTNLCHHZ-UHFFFAOYSA-N	293.100	-0.325	50	50	CBGA	
C[C@@H](Cl)C(=O)N1CC(n2cc(C(N)=O)nn2)C1	1875377950	RZTAYEOIVURSBY-RXMQYKEDSA-N	257.681	-0.612	50	50	CBGA	
Nc1cc(B(O)O)cc(C(=O)NCc2ccccc2)c1	169978046	ISUVYQLOVKIGNN-UHFFFAOYSA-N	270.097	-0.121	50	50	CBGA	
COc1ncnc2c1cc(B(O)O)n2C(=O)OC(C)(C)C	1772572506	AEXGZEHBDMIPEF-UHFFFAOYSA-N	293.088	-0.097	50	50	CBGA	
O=C(NCCN1CCCCC1)c1cccc(B(O)O)c1	169904024	GYWYZQDPLDJVNG-UHFFFAOYSA-N	276.145	-0.418	50	50	CBGA	in-vitro
CNS(=O)(=O)c1ccc(B(O)O)c(C(F)(F)F)c1	169934912	POJZVLYOTNAUBX-UHFFFAOYSA-N	283.036	-0.707	50	50	CBGA	in-vitro
O=C(CCl)N1CCN2CCS(=O)(=O)C[C@@H]2C1	1875374622	AMWGQFWYJMPFFM-QMMMGPOBSA-N	266.750	-0.834	50	50	CBGA	
C[C@@H](Cl)C(=O)NC1CCN(c2nnnn2C)CC1	1875363520	HCSAAYZNUZJJGK-SSDOTTSWSA-N	272.740	-0.078	50	50	CBGA	
C[C@@H](Cl)C(=O)NCC1(O)CCS(=O)(=O)CC1	1875363568	JRSZRUVRAQLRTH-SSDOTTSWSA-N	269.750	-0.330	50	50	CBGA	
C[C@H](Cl)C(=O)N[C@@H]1COC[C@H]1N1CCOCC1	1875368669	JLMJMCNDWUPKAN-IVZWLZJFSA-N	262.737	-0.171	50	50	CBGA	
COc1ccc(S(=O)(=O)NC(C)(C)C)cc1B(O)O	202627295	CFJIYYOPBLWGFP-UHFFFAOYSA-N	287.146	-0.548	50	50	CBGA	
COCCNC(=O)c1ccc(Cl)c(B(O)O)c1	169744621	PUCQVEIGFXXXGR-UHFFFAOYSA-N	257.482	-0.604	50	50	CBGA	
C[C@H](Br)C(=O)N[C@@H](CC(N)=O)C(=O)O	1690181	UPOMSAYUXMKAOY-IMJSIDKUSA-N	267.079	-0.785	50	50	CBGA	
O=C(O)/C=C/C(=O)NNC(=O)c1cc(O)cc(O)c1	2938112	MMTOKRIPFVUSCW-OWOJBTEDSA-N	266.209	-0.500	50	50	CBGA	
CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](C)Cl	1875363756	XWOSQMZKEBXNBE-SFYZADRCSA-N	275.736	-0.533	50	50	CBGA	
COc1ccc(B(O)O)cc1S(=O)(=O)N1CCCC1	169745659	CMUQRJVOEZOCJL-UHFFFAOYSA-N	285.130	-0.841	50	50	CBGA	
OB(O)c1cc(Br)cc(N2CCOCC2)c1	169934577	UWNLKBOIZQUEHF-UHFFFAOYSA-N	285.934	-0.035	50	50	CBGA	in-vitro
COC(=O)[C@H](N)CSSC[C@@H](N)C(=O)OC	87612235	NXPNPYNCKSWEHA-PHDIDXHHSA-N	268.360	-0.632	50	50	CBGA	biogenic,in-vitro
O=C1CCN(C(=O)CCc2ccccc2B(O)O)CC1	230526148	QKXSIZTYFGKKOD-UHFFFAOYSA-N	275.113	-0.510	50	50	CBGA	
CCOC(=O)c1cc(B(O)O)cc(C(=O)OCC)c1	953019469	XXBGYFGJSMAOSZ-UHFFFAOYSA-N	266.058	-0.280	50	50	CBGA	
COc1ccc(N2C(=O)C[C@@H](NNC(N)=O)C2=O)cc1	444750	IFIJMOVUQOVRRO-SECBINFHSA-N	278.268	-0.500	50	50	CBGA	
OB(O)c1ccc(CN2CCC(O)CC2)c(F)c1	230527467	DCOMKFOXXFIWQS-UHFFFAOYSA-N	253.082	-0.538	50	50	CBGA	
O=C1CCN(Cc2ccc(B(O)O)c(F)c2)CC1	230528667	RPTBNULUQIKHCW-UHFFFAOYSA-N	251.066	-0.330	50	50	CBGA	
Cc1cc(B(O)O)ccc1S(=O)(=O)NC(C)(C)C	1772572580	TXOQPYCBHVEMGE-UHFFFAOYSA-N	271.147	-0.248	50	50	CBGA	
O=C(CN1C(=O)N[C@@H]2NC(=O)N[C@H]21)NN=C1CCCC1	110501	SXMJFSDBPHOMPK-IUCAKERBSA-N	280.288	-0.977	50	50	CBGA	
NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1	2545759	UXZMIGOFMHLCJI-UHFFFAOYSA-N	286.255	-0.497	50	50	CBGA	
CS(=O)(=O)c1ccc(B(O)O)cc1C(F)(F)F	170002147	RJZYFKLWPQHPTQ-UHFFFAOYSA-N	268.021	-0.211	50	50	CBGA	
O=C(Cc1n[nH]c(=O)[nH]c1=O)N/N=C/[C@@H]1CC=CCC1	3945135	OZJLAATUSFERIE-OREIZAMCSA-N	277.284	-0.541	50	50	CBGA	
C[C@H](Cl)C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1	1875375603	FTEBCTGDOKCADE-VIFPVBQESA-N	297.808	-0.046	50	50	CBGA	
CS(=O)(=O)c1cc(B(O)O)ccc1OC(F)(F)F	170002210	LATHTIHDXYPGBO-UHFFFAOYSA-N	284.020	-0.332	50	50	CBGA	
Cc1ccc(B(O)O)cc1OCCCN1CCN(C)CC1	230529169	HOLVQFCYTSHUEA-UHFFFAOYSA-N	292.188	-0.309	50	50	CBGA	
OC[C@H](Nc1cncc(B(O)O)c1)c1ccccc1	218506287	UUSNHXZNADHAAR-ZDUSSCGKSA-N	258.086	-0.093	50	50	CBGA	
COC(=O)c1cc(B(O)O)c(Cl)c([N+](=O)[O-])c1	1772572501	NSBGPHGUTLDLOV-UHFFFAOYSA-N	259.410	-0.285	50	50	CBGA	
C[C@@H]1CCCCN1S(=O)(=O)c1ccc(B(O)O)cc1	169744329	XUJXGFBMHUUVFF-SNVBAGLBSA-N	283.158	-0.071	50	50	CBGA	
NNC(=O)c1cn(C[C@H](O)Cc2ccccc2)nn1	1775973207	MYDVZDGTTGXKPH-SNVBAGLBSA-N	261.285	-0.515	50	50	CBGA	
NNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12	4521215	KOZWHQPRAOJMBN-ACLDMZEESA-N	258.347	-0.298	50	50	CBGA	in-vitro
NNC(=O)CN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O	100591024	MPZVOJUVPACFRU-RQJHMYQMSA-N	257.677	-0.506	50	50	CBGA	
O=C(c1cc(B(O)O)ccc1Cl)N1CCOCC1	169743981	SWIHOHJBUZBINE-UHFFFAOYSA-N	269.493	-0.508	50	50	CBGA	in-vitro
CCCN1CCN(c2ncc(C)cc2B(O)O)CC1	170002102	QQEYRIDBQBXRAH-UHFFFAOYSA-N	263.150	-0.398	50	50	CBGA	
O=C(CN1C(=O)N[C@H]2NC(=O)N[C@@H]21)NN=C1CCCC1	110487	SXMJFSDBPHOMPK-RKDXNWHRSA-N	280.288	-0.977	50	50	CBGA	
CC[C@H](COC)NC(=O)c1ccc(B(O)O)c(C=O)c1	2325867030	IIGISDABNTYLTB-LLVKDONJSA-N	279.101	-0.666	50	50	CBGA	
CCN1CCN(Cc2ccc(F)cc2B(O)O)CC1	203187890	MAHATIYLXBUIFX-UHFFFAOYSA-N	266.125	-0.357	50	50	CBGA	
C[C@H]1CN(C(=O)c2ccc(B(O)O)c(C=O)c2)CCO1	2325873948	ZSXIHDNXGONVNK-VIFPVBQESA-N	277.085	-0.960	50	50	CBGA	
Nc1nonc1C(=O)N/N=C\c1ccc(O)c(O)c1	32593048	ALDUUQYAHNVMOO-QCDXTXTGSA-N	263.213	-0.173	50	50	CBGA	
O=C1CC(=O)NC(=NNC(=O)c2ccc([N+](=O)[O-])cc2)N1	4996184	VISJJXFRPBPWHO-UHFFFAOYSA-N	291.223	-0.768	50	50	CBGA	
OB(O)c1cc(Cl)ccc1CN1CCOCC1	230536094	JGQFESPKQZBSGP-UHFFFAOYSA-N	255.510	-0.148	50	50	CBGA	
COc1cc(C(=O)N[C@H](C)C(=O)NN)cc(OC)c1OC	254896	OKNXBUBXSMJGIE-SSDOTTSWSA-N	297.311	-0.179	50	50	CBGA	
NNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12	2839654	KOZWHQPRAOJMBN-ZKWXMUAHSA-N	258.347	-0.298	50	50	CBGA	in-vitro
C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CCl)CC1	1875378275	YRADQACSCUTBEI-SNVBAGLBSA-N	271.748	-0.493	50	50	CBGA	
C[C@H](Cl)C(=O)NCC1CN(S(C)(=O)=O)C1	1875366446	KSNQUZGQNSPGSC-LURJTMIESA-N	254.739	-0.379	50	50	CBGA	
CC[C@@]1(C)[C@@H]2SCC(=O)N2CCN1CC(=O)NN	36006175	WWUSFQTZBLCENN-QWRGUYRKSA-N	272.374	-0.638	50	50	CBGA	
O=S(=O)(NC1CCCC1)c1ccc(B(O)O)cc1F	230553523	UPYGDDMCOSDBFG-UHFFFAOYSA-N	287.121	-0.274	50	50	CBGA	
CC(C)(CCl)C(=O)NCCC[Si](O)(O)O	675073458	YHPWEODIIHMLCH-UHFFFAOYSA-N	255.774	-0.327	50	50	CBGA	
CC(C)NC(=O)COc1ccc(B(O)O)c(C=O)c1	2325853765	APEPPDFQZCSCEN-UHFFFAOYSA-N	265.074	-0.918	50	50	CBGA	
C[C@H](Cl)C(=O)N1CC(n2cc(C(N)=O)nn2)C1	1875377951	RZTAYEOIVURSBY-YFKPBYRVSA-N	257.681	-0.612	50	50	CBGA	
CNC(=S)NNC(=O)CNc1ccc2c(c1)OCO2	2570960	YYEKBITUKLJQBM-UHFFFAOYSA-N	282.325	-0.048	50	50	CBGA	
NC(N)=NS(=O)(=O)c1ccc(NC(=O)CCl)cc1	4462041	NVPHLKLYVZYDSW-UHFFFAOYSA-N	290.732	-0.174	50	50	CBGA	
Cn1cc(C(=O)NNC(=O)C2SCCCS2)nn1	855185033	JCYBTEHCKXEFEQ-UHFFFAOYSA-N	287.370	-0.228	50	50	CBGA	
CN1CCC(=NNC(=O)C(=O)NCc2ccncc2)CC1	55129207	KFZOUWBZSWQQOX-UHFFFAOYSA-N	289.339	-0.104	50	50	CBGA	
CS(=O)(=O)N1CCC[C@@H]1CNC(=O)CCl	1875375201	UWGKZDSNCROJSS-SSDOTTSWSA-N	254.739	-0.235	50	50	CBGA	
C[C@H](Cl)C(=O)N1CCN2C(=O)N(C)C(=O)[C@H]2C1	1875363964	FYXIQQYHKXHMGF-NKWVEPMBSA-N	259.693	-0.282	50	50	CBGA	
Cc1cc(B(O)O)ccc1S(=O)(=O)N1CCCC1	1772572573	LCLWKERKNBTROT-UHFFFAOYSA-N	269.131	-0.541	50	50	CBGA	
CCN(CC)S(=O)(=O)c1cc(C)cc(B(O)O)c1	170002084	FCEANUNFPGOWPI-UHFFFAOYSA-N	271.147	-0.295	50	50	CBGA	
OB(O)c1ccc(CN2CCNCC2)c(Cl)c1	230547179	ONLFVAQXMUGXKE-UHFFFAOYSA-N	254.526	-0.575	50	50	CBGA	
COCn1[nH]cnc1=NNC(=O)c1ccccc1C(=O)O	725327976	ASQQCXBTOMUROT-UHFFFAOYSA-N	291.267	-0.241	50	50	CBGA	
COc1cc(C(=O)N[C@@H](C)C(=O)NN)cc(OC)c1OC	254894	OKNXBUBXSMJGIE-ZETCQYMHSA-N	297.311	-0.179	50	50	CBGA	
OB(O)c1ccc(Cl)cc1OCCN1CCOCC1	170001787	SDSZOKCFXREYFN-UHFFFAOYSA-N	285.536	-0.269	50	50	CBGA	
CCN1CCN(CCCOc2cccc(B(O)O)c2)CC1	230525772	IBFSGCCPHPAHLT-UHFFFAOYSA-N	292.188	-0.227	50	50	CBGA	
O=C(NCCN1CCCCC1)c1ccc(B(O)O)cc1	169745460	NNAVSMPHTRHGJP-UHFFFAOYSA-N	276.145	-0.418	50	50	CBGA	
O=S(=O)(NC1CCCCC1)c1ccc(B(O)O)cc1	169745504	XYWYVMPPDKSUFJ-UHFFFAOYSA-N	283.158	-0.023	50	50	CBGA	in-vitro
CN1CCN(Cc2cc(B(O)O)ccc2F)CC1	170001808	CTZZIMUPKCKUNQ-UHFFFAOYSA-N	252.098	-0.747	50	50	CBGA	
C[C@H](Cl)C(=O)N1CCN2CCS(=O)(=O)C[C@@H]2C1	1875376226	PINAPLXZIBQQIJ-IUCAKERBSA-N	280.777	-0.445	50	50	CBGA	
COc1ccccc1N1CCN(CC(=O)NN)CC1	96448556	ODOZMFGEAFULMC-UHFFFAOYSA-N	264.329	-0.193	50	50	CBGA	
CCCS(=O)(=O)NCc1ccc(B(O)O)cc1	404944524	GIPZNWVNFOLKCC-UHFFFAOYSA-N	257.120	-0.804	50	50	CBGA	
Cc1cc(B(O)O)cc(C)c1S(=O)(=O)NC(C)C	230555594	FMJRLYQOGPUFJU-UHFFFAOYSA-N	271.147	-0.330	50	50	CBGA	
CC(C)(C)NS(=O)(=O)c1cccc(B(O)O)c1	169745464	LSSASZPAKWQFHO-UHFFFAOYSA-N	257.120	-0.557	50	50	CBGA	in-vitro
Cc1ccc(S(=O)(=O)C(F)(F)F)cc1B(O)O	169746384	ZYVAJJOEQOUMOF-UHFFFAOYSA-N	268.021	-0.032	50	50	CBGA	in-vitro
O=C1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1	230549790	ASBOLDUVESIHEQ-UHFFFAOYSA-N	265.049	-0.689	50	50	CBGA	
O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(B(O)O)cc1	242728097	YSXTWFABWWVVAX-HAQNSBGRSA-N	263.102	-0.600	50	50	CBGA	
C[C@@H]1C(=O)NN=C1C(=O)N/N=C/c1cccc(O)c1	103506844	PQDCKDANJSOJJF-PQHBYJLHSA-N	260.253	-0.036	50	50	CBGA	
COc1cc(C(=O)NCC(=O)NN)cc(OC)c1OC	255951	UXECEMOPVFIRRG-UHFFFAOYSA-N	283.284	-0.568	50	50	CBGA	
CCN(CC)S(=O)(=O)c1cc(B(O)O)ccc1F	230555179	XLBPAWWHKBQWKY-UHFFFAOYSA-N	275.110	-0.464	50	50	CBGA	
NNC(=O)CCN1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O	102737203	NUONYCZFJBGFSI-JGVFFNPUSA-N	271.704	-0.116	50	50	CBGA	
CN1CCN(CCOc2ccc(B(O)O)cc2F)CC1	230528139	KQXALTFHYHIKTN-UHFFFAOYSA-N	282.124	-0.868	50	50	CBGA	
COc1ccc2nnc(CNC(=O)CCl)n2n1	1875374818	GGYDYVKHPQKGFK-UHFFFAOYSA-N	255.665	-0.012	50	50	CBGA	
CC(C)(C)NC(=O)c1cc(B(O)O)cc([N+](=O)[O-])c1	169745051	OUMNTSXALLQRLY-UHFFFAOYSA-N	266.062	-0.197	50	50	CBGA	in-vitro
CCN(CC)S(=O)(=O)c1ccc(F)c(B(O)O)c1	230555741	RBYWNDSBBYYNDT-UHFFFAOYSA-N	275.110	-0.464	50	50	CBGA	
Nc1nnn(CC(=O)NN=Cc2ccccc2O)n1	252679341	LCKOXTIZCWJBAL-UHFFFAOYSA-N	261.245	-0.889	50	50	CBGA	
Cc1cc(B(O)O)cc(S(=O)(=O)N2CCCCC2)c1	170002131	DDAZJBQHVSSLMV-UHFFFAOYSA-N	283.158	-0.151	50	50	CBGA	
O=C(O)/C=C/C(=O)NNC(=O)COc1ccccc1	2913614	DCHBFTOEYSPLKO-VOTSOKGWSA-N	264.237	-0.146	50	50	CBGA	
CCN1CCN(CCOc2ccc(B(O)O)cc2)CC1	203188437	ZHBUSQYKDMIUJY-UHFFFAOYSA-N	278.161	-0.617	50	50	CBGA	
O=S(=O)(NC1CCCCC1)c1cccc(B(O)O)c1	169745603	LSHHIHODRSZFHE-UHFFFAOYSA-N	283.158	-0.023	50	50	CBGA	in-vitro
CN(C)c1ncc(B(O)O)c(OCc2ccccc2)n1	169747866	WYIPFXDOPGYMLS-UHFFFAOYSA-N	273.101	-0.199	50	50	CBGA	in-vitro
COc1ccc(C)cc1NC(=O)NNC(=O)C(N)=O	2167934	MTWSZDJNNLIUOO-UHFFFAOYSA-N	266.257	-0.358	50	50	CBGA	
C[C@@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)NN	2526274	KBPKTOXMTUBNDU-SCZZXKLOSA-N	267.285	-0.348	50	50	CBGA	in-vitro
C[C@@H]1CCCCN1S(=O)(=O)c1cccc(B(O)O)c1	169744084	IZHIWXZQLZLQGQ-SNVBAGLBSA-N	283.158	-0.071	50	50	CBGA	
CSCCCNC(=O)c1cc(B(O)O)ccc1F	584947827	CIDVHVGUQHUBGE-UHFFFAOYSA-N	271.122	-0.012	50	50	CBGA	
C[C@@H](Cl)C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1	1875375602	FTEBCTGDOKCADE-SECBINFHSA-N	297.808	-0.046	50	50	CBGA	
CC(C)(C)OC(=O)[C@@H](N)c1ccc(B(O)O)s1	198817937	LOCLMYFLJSVJJE-QMMMGPOBSA-N	257.120	-0.231	50	50	CBGA	
O=C(Cc1n[nH]c(=O)[nH]c1=O)N/N=C\c1ccccc1F	12375306	ADVKCDXOPRFZHN-NSIKDUERSA-N	291.242	-0.710	50	50	CBGA	
CC1(C)c2cc(B(O)O)ccc2-c2ccc(B(O)O)cc21	169747958	LUVUGOUOAXADNE-UHFFFAOYSA-N	281.913	-0.648	50	50	CBGA	in-vitro
COCCN(CCOC)Cc1ccccc1B(O)O	203174393	RMMDSIUQDCZNSI-UHFFFAOYSA-N	267.134	-0.539	50	50	CBGA	
C[C@H](Cl)C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O	1875366929	YTEGBNLORKLMAI-YUMQZZPRSA-N	284.765	-0.610	50	50	CBGA	
CN(C)NC(=O)c1ccc(C(C)(C)C)cc1B(O)O	196876225	CHSNSNUJXOFOCS-UHFFFAOYSA-N	264.134	-0.130	50	50	CBGA	
O=c1ccn(CCOc2ccc(B(O)O)cc2)cc1	169920840	OOJGGGQHVWIGHJ-UHFFFAOYSA-N	259.070	-0.393	50	50	CBGA	
CCS(=O)(=O)N(CC(=O)NN)c1ccc(OC)cc1	16693558	LTQIUNDOHZAJPV-UHFFFAOYSA-N	287.341	-0.159	50	50	CBGA	
N=C(NNC(=O)c1cccnc1)NNC(=O)c1cccnc1	583651965	WXRPVNKPQNXUEK-UHFFFAOYSA-N	299.294	-0.420	50	50	CBGA	
CCC1(O)CCN(C(=O)c2cc(B(O)O)ccc2F)CC1	584952912	QKNCSKFWIVLJGF-UHFFFAOYSA-N	295.119	-0.117	50	50	CBGA	
O=S(=O)(c1cc(B(O)O)ccc1F)N1CCCC1	230555073	DVDMUJPKMCCHOY-UHFFFAOYSA-N	273.094	-0.710	50	50	CBGA	
O=C(NC[C@@H]1CC[C@H](O)C1)c1cccc(B(O)O)c1	584980445	ZZLUWQUQRKBNLD-SKDRFNHKSA-N	263.102	-0.743	50	50	CBGA	
C#CCNC(=O)[C@H](C)N1CCN(C(=O)CCl)CC1	1875378274	YRADQACSCUTBEI-JTQLQIEISA-N	271.748	-0.493	50	50	CBGA	
CCN1CCN(Cc2cc(F)cc(B(O)O)c2)CC1	211720045	OMJLAYFYTVWDIB-UHFFFAOYSA-N	266.125	-0.357	50	50	CBGA