smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(C)Oc1cccc(CCCNC(=O)COc2ccc(Cl)cc2)c1	217830461	IFVSEEPOLMTHFL-UHFFFAOYSA-N	361.869	4.255	70	40	FIIB	
COc1ccc(CCCNC(=O)CSCc2ccccc2Cl)cc1	218028336	KVFBLJFAQVOENY-UHFFFAOYSA-N	363.910	4.331	70	40	FIIB	
CCOc1ccc(NC(=O)NC[C@@](C)(O)c2cc3ccccc3s2)cc1	217522611	HSPCITDZZFDNKT-HXUWFJFHSA-N	370.474	4.329	70	40	FIIB	
COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1)CC(C)(C)O2	218688667	DRSRVZLYXMVKBW-HNAYVOBHSA-N	369.461	4.190	70	40	FIIB	
CN(Cc1nc(-c2cccs2)no1)C(=O)/C=C/c1ccc(Cl)cc1	217963088	MAUWTWYMBIHLBB-RMKNXTFCSA-N	359.838	4.123	70	40	FIIB	
O=C(NC[C@@](O)(c1ccccc1)C1CC1)c1ccccc1SC(F)F	217577371	HOKITFUOAWJTNU-LJQANCHMSA-N	363.429	4.029	70	40	FIIB	
CN1CCC[C@H](C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1	216911198	IWJNWHRMBQYVFC-HJGBXLFDSA-N	352.522	4.435	70	40	FIIB	
C[C@H](Sc1ccccc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1	218062659	RIQBMHIHDTYUHN-LBPRGKRZSA-N	373.865	4.187	70	40	FIIB	
Cc1ccc(OC[C@@H](C)NC(=O)CSCc2ccccc2Cl)cc1	218029869	KNYKLPHOFWODOJ-OAHLLOKOSA-N	363.910	4.465	70	40	FIIB	
CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(F)cc1	218700428	QTOQAUUVRUXYRB-MRXNPFEDSA-N	359.441	4.131	70	40	FIIB	
COc1ccccc1CCCNC(=O)CSCc1cccc(Cl)c1	218035158	CHXJINXTGLMGNK-UHFFFAOYSA-N	363.910	4.331	70	40	FIIB	
COc1ccc(CCCNC(=O)CSCc2cccc(Cl)c2)cc1	218035373	XNYOSFAIBHEQRN-UHFFFAOYSA-N	363.910	4.331	70	40	FIIB	
O=C(/C=C/c1ccccc1)NCCn1nc(-c2ccsc2)cc1C1CC1	217877476	ZHAUUSIZUQQCIN-RMKNXTFCSA-N	363.486	4.319	70	40	FIIB	
CCc1ccc(N2CCO[C@H]2c2cn(Cc3cccc(Cl)c3)nn2)cc1	216768535	IQBHYVXBDRTDML-FQEVSTJZSA-N	368.868	4.078	70	40	FIIB	
Cc1ccc(SCC(=O)NCCCN2CCCc3ccccc32)cc1	217979849	ZQXRZNJSLQRYDY-UHFFFAOYSA-N	354.519	4.046	70	40	FIIB	
COc1ccc(-n2ccc([C@@H]3OCCN3c3ccccc3OC)c2)cc1	216721988	FYNXYYNQYOLWII-NRFANRHFSA-N	350.418	4.030	70	40	FIIB	
O=C(CCc1cccc2ccccc12)NC[C@H]1CCCN1c1nccs1	217749461	RNGXAHUFUAUJDH-GOSISDBHSA-N	365.502	4.014	70	40	FIIB	
CCOc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1	218675805	SPWXHOZLMZHFPT-HNNXBMFYSA-N	361.869	4.255	70	40	FIIB	
CCc1nc2c(s1)[C@H](N(C)C(=O)c1cncc(OC(C)C)c1)CCC2	161239888	UBKBHCQPLZICBJ-MRXNPFEDSA-N	359.495	4.037	70	40	FIIB	
O=C(NCCCN1CCCc2ccccc21)c1ccc(Br)cc1	217871508	VUSJXJFNAUVCAW-UHFFFAOYSA-N	373.294	4.022	70	40	FIIB	
COc1ccc(CCCNC(=O)COc2ccc(Cl)cc2Cl)cc1	217835006	LVGQAZDOABOELT-UHFFFAOYSA-N	368.260	4.130	70	40	FIIB	
CC(=O)OC[C@@]12CO[C@@H](c3ccc(N(C)C)cc3)[C@@H](C(C)=C[C@H]1C)[C@H]2C	217372068	UFMOTNAISQKEDK-WTNADYDTSA-N	357.494	4.222	70	40	FIIB	
O=C(CCSc1ccccc1)NCc1nc(-c2ccc(Cl)cc2)no1	218084534	GGZNEMSJFYFXCD-UHFFFAOYSA-N	373.865	4.189	70	40	FIIB	
Cc1cc(C)cc(OCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1	218694534	IISIFPFCVKMQAO-LJQANCHMSA-N	353.462	4.409	70	40	FIIB	
O=C(NCc1cncc(-c2ccsc2)c1)c1nc2ccccc2s1	217690696	XZKBWTDZGHOMAD-UHFFFAOYSA-N	351.456	4.350	70	40	FIIB	
CC[C@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccc(OC)c(OC)c1	218061350	JVNZWZFRGSOVPG-YOEHRIQHSA-N	359.491	4.452	70	40	FIIB	
COc1ccc(CN2CCO[C@H]2c2ccn(-c3ccc(F)cc3)c2)cc1	216743521	HGYMXFCBWACNRB-NRFANRHFSA-N	352.409	4.156	70	40	FIIB	
C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1	216929262	XHYUJJZECPOQQJ-MRXNPFEDSA-N	370.518	4.279	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCCOc1ccccc1	218727472	RTUPXAQSRJJNEU-LJQANCHMSA-N	369.461	4.273	70	40	FIIB	
CC[C@@H](NC(=O)CSCc1ccccc1)c1ccc(OC)c(OC)c1	218011352	OYTBWAUGMXLBNC-QGZVFWFLSA-N	359.491	4.205	70	40	FIIB	
Cc1ccc(C(C)C)c(OCC(=O)n2c(C)c(C(N)=O)c3ccccc32)c1	218740073	JYDQXJRZRIKFKN-UHFFFAOYSA-N	364.445	4.200	70	40	FIIB	
COc1cc(CNC(=O)CSc2ccc(C)cc2)ccc1OC(C)C	217975072	NTSJCUHYCGSIBE-UHFFFAOYSA-N	359.491	4.199	70	40	FIIB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	218756665	ZTCUFWZAHMCNCF-MOPGFXCFSA-N	369.461	4.271	70	40	FIIB	
Cc1ccc(S[C@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1	218146016	MFVAUDVFODGNJT-CYBMUJFWSA-N	373.503	4.246	70	40	FIIB	
O=C(/C=C/c1ccc(Cl)cc1)NCCCN1CCCc2ccccc21	217963547	ZGAQSGUNRYEYEM-JLHYYAGUSA-N	354.881	4.312	70	40	FIIB	
Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(C)c(C)c1)CC(C)(C)O2	218721953	YHDJHBHSUZOQKC-IBGZPJMESA-N	353.462	4.409	70	40	FIIB	
COc1ccc(CN2CCO[C@H]2c2ccn(-c3cccc(F)c3)c2)cc1	216744972	OPDDGGKPCRRKGY-NRFANRHFSA-N	352.409	4.156	70	40	FIIB	
C[C@](O)(CNC(=O)c1ccc(Cl)s1)c1cc2ccccc2s1	217501233	AWZIADSPJJCMRY-INIZCTEOSA-N	351.880	4.254	70	40	FIIB	
CN1CCC(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)CC1	216929621	BKUTZRNZPZJDIX-XDJHFCHBSA-N	354.881	4.091	70	40	FIIB	
COC(=O)c1c(C)n(C(=O)c2ccc(OC(C)C)cc2)c2ccccc12	216957970	YYLIPJCZEHJINS-UHFFFAOYSA-N	351.402	4.212	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1cc(C)cc(C)c1	218694942	TVQJIZGNWOWSJO-LJQANCHMSA-N	369.461	4.109	70	40	FIIB	
COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)CC(C)(C)O2	218702660	OOUOUQYJRWFGGN-UGSOOPFHSA-N	373.424	4.020	70	40	FIIB	
COc1cc(OC)cc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1	218175456	VUZKMMHCZXSHCO-GOSISDBHSA-N	355.434	4.044	70	40	FIIB	
Cn1nc(-c2ccccc2)cc1C(=O)N1CCCC[C@H](c2ccccc2)C1	217490642	WOJKWXKFIZZFSJ-FQEVSTJZSA-N	359.473	4.497	70	40	FIIB	
CCCOc1ccccc1CCCNC(=O)CSCc1ccccc1	218009413	JDNLSULGEIMNJE-UHFFFAOYSA-N	357.519	4.458	70	40	FIIB	
Cn1ccc(-c2cccc(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)c2)n1	100041621	LGHVUZDAZTZCHC-UHFFFAOYSA-N	368.261	4.002	70	40	FIIB	
Cc1ccc2c(c1)[C@H](NC(=O)COc1ccc(Cl)cc1)CC(C)(C)O2	217831836	RUVCFMNECFEGLJ-QGZVFWFLSA-N	359.853	4.446	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C=C/c1ccccc1OC	217967528	RQSDRLBLJQSKQL-PEKVBPLLSA-N	367.445	4.136	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cc1ccc(Cl)cc1	218530412	GFXVPOKSZXLYNQ-QGZVFWFLSA-N	359.853	4.310	70	40	FIIB	
CN1CCC(Oc2ccc(CNC(=O)Nc3cccc(Cl)c3)cc2)CC1	217037187	BTGHEPNIINTYTK-UHFFFAOYSA-N	373.884	4.135	70	40	FIIB	
COc1ccc(-n2ccc([C@H]3SCC(=O)N3Cc3ccccc3)c2)cc1	216674259	JSSJHOHIEJQCNJ-OAQYLSRUSA-N	364.470	4.260	70	40	FIIB	
C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCN1CCCc2ccccc21	218683159	RGRWNFMUHQCFNB-MRXNPFEDSA-N	372.896	4.066	70	40	FIIB	
CCOc1cc(C(=O)OC)ccc1OC(=O)c1cccc2ccccc12	216776513	CXSUXMAIPVQRQL-UHFFFAOYSA-N	350.370	4.244	70	40	FIIB	
COc1cc(CNC(=O)CSCc2ccccc2C)ccc1OC(C)C	218013754	ZZKYFKYYGNTXLF-UHFFFAOYSA-N	373.518	4.340	70	40	FIIB	
Cc1cccc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1	218688220	FEIQZORMAXPPQM-LPHOPBHVSA-N	353.462	4.489	70	40	FIIB	
C[C@@](O)(CNC(=O)NCc1ccc(Cl)cc1)c1cc2ccccc2s1	217522896	IAZNWYGHMWILHQ-LJQANCHMSA-N	374.893	4.262	70	40	FIIB	
Cc1ccc(OC[C@@H](C)NC(=O)COc2ccc(Cl)cc2Cl)cc1	217836181	YJUONHCIQJGSED-CYBMUJFWSA-N	368.260	4.264	70	40	FIIB	
COC(=O)c1c(C)n(C(=O)COc2cc(C)ccc2C)c2ccccc12	218736962	WTPSSDQNIWQNOG-UHFFFAOYSA-N	351.402	4.072	70	40	FIIB	
O=C1CS[C@@H](c2ccn(-c3ccc(Cl)cc3)c2)N1Cc1ccco1	216675990	YTKXBHRGDCHJRW-SFHVURJKSA-N	358.850	4.498	70	40	FIIB	
COc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccc(OC)cc3)c2)cc1	216744141	RMSBNMSDNZZRAN-JOCHJYFZSA-N	364.445	4.026	70	40	FIIB	
CN(CCCNC(=O)CSCc1ccc(Cl)cc1)c1ccccc1	218047225	BMUZXFIKDMLUCW-UHFFFAOYSA-N	362.926	4.216	70	40	FIIB	
COc1cc(OC)cc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1	218175614	NEGYUWRCVFUWJX-GOSISDBHSA-N	355.434	4.044	70	40	FIIB	
CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	218756620	ZTCUFWZAHMCNCF-RTBURBONSA-N	369.461	4.271	70	40	FIIB	
CCc1ccc(-n2ccc([C@@H]3SCC(=O)N3Cc3ccco3)c2)cc1	216677115	VMOXTWXLLPNEJW-FQEVSTJZSA-N	352.459	4.407	70	40	FIIB	
COc1ccccc1/C=C/C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21	217967006	BBPHEPWVWILUKR-NCUBBLFSSA-N	351.446	4.435	70	40	FIIB	
COc1ccc(CSCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1	218114088	XKKVRVJUVJKMEN-GOSISDBHSA-N	371.502	4.347	70	40	FIIB	
Cc1cc(O[C@@H](C)C(=O)NCCCN(C)c2ccccc2)cc(C)c1Cl	218719167	NTKQLAWWVICZPR-KRWDZBQOSA-N	374.912	4.367	70	40	FIIB	
CCOc1ccc(-n2ccc([C@@H]3N(C)C(=O)c4ccccc4N3C)c2)cc1	216714001	ZXAXTKBUZLSFDA-NRFANRHFSA-N	361.445	4.097	70	40	FIIB	
COc1cc(CNC(=O)[C@H](C)SCc2ccccc2)ccc1OC(C)C	218065229	WIDIMGWAMNCALC-INIZCTEOSA-N	373.518	4.421	70	40	FIIB	
COc1ccc(CSCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1	218114143	XKKVRVJUVJKMEN-SFHVURJKSA-N	371.502	4.347	70	40	FIIB	
CN1CCC(CCNC(=O)c2ccc(CSc3ccccc3)cc2)CC1	216928254	GORKOZPYMXQNPY-UHFFFAOYSA-N	368.546	4.441	70	40	FIIB	
COc1ccc(CSCC(=O)Nc2cccc(Br)c2)cc1	218109675	ULGVGTBRJIDPJW-UHFFFAOYSA-N	366.280	4.330	70	40	FIIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(Cl)cc1	217831972	AONQCVBJHXIQQE-KRWDZBQOSA-N	359.853	4.446	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccc(C)cc1	218535672	LSUXOTUNDDPSGM-IBGZPJMESA-N	353.462	4.355	70	40	FIIB	
O=C(c1ccc(F)cc1)N1CCC(c2nnc(-c3ccccc3F)o2)CC1	216630843	OUSQJVHJYQSMMS-UHFFFAOYSA-N	369.371	4.035	70	40	FIIB	
Cc1c(C(N)=O)c2ccccc2n1C(=O)COc1ccc(C(C)(C)C)cc1	216724357	DGXJVQCGSMSDFY-UHFFFAOYSA-N	364.445	4.065	70	40	FIIB	
Cc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1	218182920	JMUNAZWXTHMMGI-KPKJPENVSA-N	367.836	4.370	70	40	FIIB	
COC(=O)c1c(C)n(C(=O)c2cccc(OC(C)C)c2)c2ccccc12	216956827	OFQRGIXOLNXQGE-UHFFFAOYSA-N	351.402	4.212	70	40	FIIB	
Cc1ccc(CCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1	218537208	SRZGVBDGGMKNRM-UHFFFAOYSA-N	369.852	4.290	70	40	FIIB	
CN1CCC(Oc2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)CC1	216927589	ANZZRRNDXIUNIT-NYYWCZLTSA-N	370.880	4.465	70	40	FIIB	
COc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1OC	217879933	GAEQGDPSKAJVIU-MRXNPFEDSA-N	355.434	4.044	70	40	FIIB	
COc1ccccc1/C=C/C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21	217967258	RMVMIUUACREVNU-KSEUIEODSA-N	351.446	4.435	70	40	FIIB	
CC(C)Oc1ccc(CCCNC(=O)CSCc2ccccc2)cc1	218008869	IEMBLTMDIQLIOL-UHFFFAOYSA-N	357.519	4.456	70	40	FIIB	
Brc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccco2)c1	216747491	LCZQQKLRIJJJPC-SFHVURJKSA-N	373.250	4.364	70	40	FIIB	
COc1ccc(OCCCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1	218740557	HQRNSGWIZWNWIK-LJQANCHMSA-N	369.461	4.273	70	40	FIIB	
O=C1CS[C@H](c2ccn(-c3ccc(F)cc3)c2)N1Cc1ccccc1	216673639	KVXQRUYUUMOWSJ-HXUWFJFHSA-N	352.434	4.391	70	40	FIIB	
O=C1Cc2cc(NC(=O)c3cccc(OC4CCCCC4)c3)ccc2N1	160320399	KGXWQWUKFMOQKD-UHFFFAOYSA-N	350.418	4.145	70	40	FIIB	
O=C1CS[C@@H](c2ccn(-c3cccc(Cl)c3)c2)N1Cc1ccco1	216675888	XCXMSSYEVZUFBF-SFHVURJKSA-N	358.850	4.498	70	40	FIIB	
CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCCc1ccc(Cl)cc1	218755112	HGFDTUNAZULPPH-LJQANCHMSA-N	361.869	4.255	70	40	FIIB	
Cc1ccc(/C=C/C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1	216931310	ZEDZOODWRBFCKJ-KPKJPENVSA-N	350.462	4.120	70	40	FIIB	
CCc1ccc(N2CCO[C@@H]2c2cn(Cc3ccc(Cl)cc3)nn2)cc1	216768600	ISDQPUNVVPRBAC-HXUWFJFHSA-N	368.868	4.078	70	40	FIIB	
NC(=O)c1cn(C(=O)c2ccc(OCc3ccccc3)cc2)c2ccccc12	216946095	SLWWHOWXACHZDQ-UHFFFAOYSA-N	370.408	4.008	70	40	FIIB	
CC[C@H](NC(=O)CCCOc1ccc(C)cc1)c1ccc(OC)c(OC)c1	218732712	UCNJZCGILRFBIM-IBGZPJMESA-N	371.477	4.439	70	40	FIIB	
COc1ccc(/C=C/C(=O)N[C@H](C)c2cc(C)ccc2C)c(OC)c1OC	218185052	SJGAPZUCBARWKA-YBHKSSGVSA-N	369.461	4.220	70	40	FIIB	
O=C(NC[C@H]1CCCN1c1nc2ccccc2o1)c1ccc(F)cc1Cl	217643289	AZVNGNSNGPTLBF-CYBMUJFWSA-N	373.815	4.019	70	40	FIIB	
Cc1ccccc1-c1nnc([C@@H]2CCCN(C(=O)c3cccs3)C2)o1	216647753	TXFRYYCTOYTEEK-CQSZACIVSA-N	353.447	4.126	70	40	FIIB	
Cc1ccc(OC[C@H](C)NC(=O)COc2ccc(Cl)cc2Cl)cc1	217836261	YJUONHCIQJGSED-ZDUSSCGKSA-N	368.260	4.264	70	40	FIIB	
CN(CCCNC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccccc1	218108752	XMIUXBCHNBUYPG-RELWKKBWSA-N	360.457	4.463	70	40	FIIB	
O=C(NCc1ccc([C@@H](O)c2ccccc2)s1)c1ccc(F)c(F)c1	217547641	VZKITPFQRDMXDK-SFHVURJKSA-N	359.397	4.038	70	40	FIIB	
C[C@](O)(CNC(=O)CCc1cccc(Cl)c1)c1cc2ccccc2o1	217994086	ZHJHXSVKZPPHHE-FQEVSTJZSA-N	357.837	4.043	70	40	FIIB	
Cc1cc(Nc2ccc(S(=O)(=O)Cl)cc2)nc(-c2ccccc2)n1	226105400	GNMRVBBRFSJGOD-UHFFFAOYSA-N	359.838	4.123	70	40	FIIB	
CC(C)Oc1cccc(CNC(=O)COc2ccc(Cl)cc2Cl)c1	217834098	NPINJWMJHPTNFU-UHFFFAOYSA-N	368.260	4.476	70	40	FIIB	
COc1ccc(CN2CCO[C@H]2c2ccn(-c3ccccc3F)c2)cc1	216743406	CKLYXLMLUINPPV-NRFANRHFSA-N	352.409	4.156	70	40	FIIB	
O=C1O[C@@]2(CCCN(C(=O)Cc3cccc4ccccc34)C2)c2ccccc21	217598198	JZCPAURHEKRZHZ-XMMPIXPASA-N	371.436	4.071	70	40	FIIB	
COc1ccc(/C=C/C(=O)NCCCc2ccc(Cl)cc2)cc1OC	217922828	PTFPRTHHOFEXKZ-XYOKQWHBSA-N	359.853	4.119	70	40	FIIB	
Cc1ccc(SCCC(=O)N(C)Cc2nc(-c3cccs3)no2)cc1	218152216	IVKUWSVKUADUEM-UHFFFAOYSA-N	373.503	4.247	70	40	FIIB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCCc1ccccc1Cl	218755048	UKIGZUOMTIRZKF-IBGZPJMESA-N	361.869	4.255	70	40	FIIB	
Cc1ccccc1OC[C@H](C)NC(=O)CCCOc1ccc(Cl)cc1	218736538	FOXCVLBLBKMPAI-INIZCTEOSA-N	361.869	4.391	70	40	FIIB	
COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1	218137092	HIBWKYNSUSWKET-CVEARBPZSA-N	359.491	4.068	70	40	FIIB	
O=C1CS[C@@H](c2ccn(-c3ccccc3Cl)c2)N1Cc1ccco1	216675776	YCOMXTWIXZNJEW-SFHVURJKSA-N	358.850	4.498	70	40	FIIB	
C[C@](O)(CNC(=O)c1c(F)cccc1Cl)c1cc2ccccc2s1	217502148	CNMAVNUXLKOQJL-SFHVURJKSA-N	363.841	4.331	70	40	FIIB	
CCOC(=O)c1c(C)oc(-c2ccc(Cl)cc2)c1S(=O)(=O)Cl	95707924	OPEXBUHVPPZMAA-UHFFFAOYSA-N	363.218	4.013	70	40	FIIB	
Cc1ccc(OC[C@H](C)NC(=O)CCCOc2ccc(Cl)cc2)cc1	218736673	HOMAAVIWQFLCJE-INIZCTEOSA-N	361.869	4.391	70	40	FIIB	
COc1ccc(CN2CCO[C@H]2c2ccn(-c3ccc(OC)cc3)c2)cc1	216744192	RMSBNMSDNZZRAN-QFIPXVFZSA-N	364.445	4.026	70	40	FIIB	
Brc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)cc1	216746599	LAGIEEBZVUUHAG-SFHVURJKSA-N	373.250	4.364	70	40	FIIB	
CCOc1ccccc1-n1ccc([C@@H]2N(C)C(=O)c3ccccc3N2C)c1	216714805	AZPYNWOLSJOVRP-NRFANRHFSA-N	361.445	4.097	70	40	FIIB	
COc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccccc1)CC(C)(C)O2	218010618	IZNZRHBOWRAGGM-SFHVURJKSA-N	371.502	4.347	70	40	FIIB	
COc1ccc(/C=C/C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1	217919234	HELJDNIKZJMFEC-BEBFYNPSSA-N	351.446	4.435	70	40	FIIB	
Cc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1	218182841	BRYJUCMXNSBXCT-VAWYXSNFSA-N	367.836	4.370	70	40	FIIB	
Cn1nc(CN(C(=O)NCc2ccc(F)cc2)C2CCCC2)cc1C1CC1	217900857	XVQIOFPFGVLXHZ-UHFFFAOYSA-N	370.472	4.091	70	40	FIIB	
Cc1ccccc1OC[C@@H](C)NC(=O)CCCOc1ccc(Cl)cc1	218736475	FOXCVLBLBKMPAI-MRXNPFEDSA-N	361.869	4.391	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(C)c(C)c1	218722496	OTDOHVINIFUEOY-IBGZPJMESA-N	369.461	4.109	70	40	FIIB	
CCOc1ccccc1-n1ccc([C@H]2OCCN2c2cccc(OC)c2)c1	216725638	WEIRAMITGDHZDL-JOCHJYFZSA-N	364.445	4.420	70	40	FIIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccc(F)cc1	218702252	XRYJOTMBXIHMDY-RDTXWAMCSA-N	357.425	4.320	70	40	FIIB	
CCOc1ccc(-n2ccc([C@H]3SCC(=O)N3Cc3ccco3)c2)cc1	216677052	RXCHGGGOQMMGLY-HXUWFJFHSA-N	368.458	4.243	70	40	FIIB	
CC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1	217860310	YUDVYHPWPURPHR-IBGZPJMESA-N	373.518	4.269	70	40	FIIB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccn2nccc2c1	217958240	YMMGLUKZQZAHHX-SNVBAGLBSA-N	350.205	4.047	70	40	FIIB	
CC(C)(C)c1ccc(/C=C/C(=O)NCc2nc(-c3ccccc3)no2)cc1	217954756	GHIYJAGEZJHJMT-SDNWHVSQSA-N	361.445	4.364	70	40	FIIB	
COc1ccc(/C=C/C(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1	217919564	PGGMSVZCJRIPSL-LKQLOZHYSA-N	367.445	4.136	70	40	FIIB	
COc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1OC	217880213	BZJJCSHSAXISEK-INIZCTEOSA-N	355.434	4.044	70	40	FIIB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21	218756746	ZTCUFWZAHMCNCF-OALUTQOASA-N	369.461	4.271	70	40	FIIB	
COc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OC	217879114	UHOLLOGGTODSOH-UHFFFAOYSA-N	361.397	4.187	70	40	FIIB	
CN1CCC(CCNC(=O)c2ccccc2SCc2ccccc2)CC1	216944806	SSECVMXHGCJSOT-UHFFFAOYSA-N	368.546	4.441	70	40	FIIB	
COc1ccc(OC[C@@H](C)NC(=O)CCSc2ccc(C)cc2)cc1	218147478	XHJLFACXGJORGB-MRXNPFEDSA-N	359.491	4.070	70	40	FIIB	
COc1ccc(/C=C/C(=O)NCCCc2ccc(OC(C)C)cc2)cc1	217917868	AFZGHEAVBAAQJS-XNTDXEJSSA-N	353.462	4.245	70	40	FIIB	
COc1ccc(-c2nc(S(=O)(=O)Cl)c(-c3ccccc3)s2)cc1	100103149	UNINCACTKRMESQ-UHFFFAOYSA-N	365.863	4.413	70	40	FIIB	
COc1cccc(N2CCO[C@@H]2c2ccn(-c3ccccc3OC)c2)c1	216724562	GLSNHCKBJSNEHE-OAQYLSRUSA-N	350.418	4.030	70	40	FIIB	
O=C(NCc1ccc([C@H](O)c2ccccc2)s1)c1ccc(F)c(F)c1	217547721	VZKITPFQRDMXDK-GOSISDBHSA-N	359.397	4.038	70	40	FIIB	
COc1ccccc1CCCNC(=O)COc1ccc(Cl)cc1Cl	217834775	MIKUQWSZGOKUHX-UHFFFAOYSA-N	368.260	4.130	70	40	FIIB	
Cc1ccc(S[C@H](C)C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1	218143248	ULZRPIYOPVPZOU-OAHLLOKOSA-N	367.474	4.150	70	40	FIIB	
CN(Cc1nc(-c2ccccc2)no1)C(=O)CSc1ccc(Cl)cc1	217984438	HCZRUGDBBCRNPK-UHFFFAOYSA-N	373.865	4.141	70	40	FIIB	
CCOc1cccc(-n2ccc([C@@H]3N(C)C(=O)c4ccccc4N3C)c2)c1	216714910	LOEUSWIPPTUNSK-NRFANRHFSA-N	361.445	4.097	70	40	FIIB	
CCOc1ccc(CCCNC(=O)CCCOc2ccc(C)cc2)cc1	218730722	OZZYNSJXUNNLBV-UHFFFAOYSA-N	355.478	4.302	70	40	FIIB	
O=S(=O)(Cc1cccc(Cl)c1)NCC1(c2ccsc2)CCCC1	217484128	HESBVYZEOAYSOK-UHFFFAOYSA-N	369.939	4.333	70	40	FIIB	
COc1ccccc1/C=C/C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21	217967190	RMVMIUUACREVNU-NCUBBLFSSA-N	351.446	4.435	70	40	FIIB	
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCN(C)c1ccccc1	218664721	LQJZYFHACGJLMA-QGZVFWFLSA-N	354.494	4.004	70	40	FIIB	
CC[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(C)cc1C	218129249	KITGAGYQLFOSBA-KRWDZBQOSA-N	357.450	4.210	70	40	FIIB	
COc1ccc(CSCC(=O)NCCCc2ccccc2Cl)cc1	218112638	XLNXXNVJMBSDOL-UHFFFAOYSA-N	363.910	4.331	70	40	FIIB	
COc1ccc(OCCCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1	218740603	HQRNSGWIZWNWIK-IBGZPJMESA-N	369.461	4.273	70	40	FIIB	
Cc1cccc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1	218687716	VRRLHYXIAASDRU-QFBILLFUSA-N	353.462	4.489	70	40	FIIB	
CCOc1ccccc1-n1ccc([C@H]2N(C)C(=O)c3ccccc3N2C)c1	216714758	AZPYNWOLSJOVRP-OAQYLSRUSA-N	361.445	4.097	70	40	FIIB	
CC[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc(OC)c(OC)c1	218689847	DDNFBWIQJVDIFP-QAPCUYQASA-N	357.450	4.047	70	40	FIIB	
CC[C@H](NC(=O)CSc1ccc(C)cc1)c1ccc(OC)c(OC)c1	217978596	PJCWEDQNBTUKDW-KRWDZBQOSA-N	359.491	4.372	70	40	FIIB	
COc1ccc(CSCC(=O)Nc2ccc(Br)cc2)cc1	218109754	SSZMYARNUPVHIS-UHFFFAOYSA-N	366.280	4.330	70	40	FIIB	
CCOc1ccc(CCCNC(=O)CSCc2ccc(OC)cc2)cc1	218114232	OXRYNLNPKLZOHM-UHFFFAOYSA-N	373.518	4.076	70	40	FIIB	
CN1C(=O)c2ccccc2N(C)[C@@H]1c1ccn(-c2ccccc2Cl)c1	216712705	HFSVTYJLCBSCLK-IBGZPJMESA-N	351.837	4.351	70	40	FIIB	
CC[C@@H](NC(=O)CCSc1ccccc1)c1ccc(OC)c(OC)c1	218083743	WWLQFNISMKLUIW-QGZVFWFLSA-N	359.491	4.454	70	40	FIIB	
Cn1nc(CN(C(=O)NCc2cccs2)C2CCCC2)cc1C1CC1	217900569	DSGCRZYMSOJYGH-UHFFFAOYSA-N	358.511	4.013	70	40	FIIB	
CCOc1ccccc1-n1ccc([C@@H]2OCCN2c2ccccc2OC)c1	216722871	RDQSYYGUCDLOGC-QFIPXVFZSA-N	364.445	4.420	70	40	FIIB	
COc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1SC)CC(C)(C)O2	218193099	MFISVEATIQJADC-INIZCTEOSA-N	357.475	4.449	70	40	FIIB	
Cc1ccc(S[C@@H](C)C(=O)NCCCN2CCCc3ccccc32)cc1	218146281	GIXLQYPILHSEDF-SFHVURJKSA-N	368.546	4.435	70	40	FIIB	
O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1c(F)cccc1F	217877285	GICFJWKDYRMKLC-UHFFFAOYSA-N	373.428	4.197	70	40	FIIB	
O=C(CCc1cccc2ccccc12)NC[C@@H]1CCCN1c1nccs1	217749410	RNGXAHUFUAUJDH-SFHVURJKSA-N	365.502	4.014	70	40	FIIB	
CN(CCCNC(=O)CSCc1ccccc1Cl)c1ccccc1	218033980	XTVPDHSPZPZODO-UHFFFAOYSA-N	362.926	4.216	70	40	FIIB	
Cc1ccc(OCC(=O)NCCCc2ccc(OC(C)C)cc2)cc1C	218720762	KGTCXDPBPRNLNA-UHFFFAOYSA-N	355.478	4.218	70	40	FIIB	
O=C1CS[C@@H](c2ccn(-c3ccc(F)cc3)c2)N1Cc1ccccc1	216673596	KVXQRUYUUMOWSJ-FQEVSTJZSA-N	352.434	4.391	70	40	FIIB	
CN1C(=O)c2ccccc2N(C)[C@H]1c1ccn(-c2ccc(Cl)cc2)c1	216712987	VKJGQSDYFLHFCF-LJQANCHMSA-N	351.837	4.351	70	40	FIIB	
COc1cccc(CCCNC(=O)CSCc2ccc(Cl)cc2)c1	218041808	KNWUPBAQQXLLLR-UHFFFAOYSA-N	363.910	4.331	70	40	FIIB	
CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1	218675727	SPWXHOZLMZHFPT-OAHLLOKOSA-N	361.869	4.255	70	40	FIIB	
C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCN1CCCc2ccccc21	218683252	RGRWNFMUHQCFNB-INIZCTEOSA-N	372.896	4.066	70	40	FIIB	
Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc(-c2ccccc2)cc1	216950815	NESJRRMFSDSINZ-UHFFFAOYSA-N	354.409	4.404	70	40	FIIB	
CCN(Cc1nc(-c2cccs2)no1)C(=O)/C=C/c1ccc(C)cc1	218183253	WSPHQAJNSUKVNE-ZHACJKMWSA-N	353.447	4.168	70	40	FIIB	
Cc1ccc(/C=C/C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1	218181905	YJRBALNTKMWZFY-ZHACJKMWSA-N	353.809	4.028	70	40	FIIB	
COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1)CC(C)(C)O2	218688576	DRSRVZLYXMVKBW-KXBFYZLASA-N	369.461	4.190	70	40	FIIB	
COc1cccc(N2CCO[C@H]2c2ccn(-c3cccc(OC)c3)c2)c1	216724086	UJIXXTLEFIXGEI-NRFANRHFSA-N	350.418	4.030	70	40	FIIB	
CCCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2Cc1cccnc1	217761536	OUYWBFJPDQNMOE-UHFFFAOYSA-N	352.434	4.359	70	40	FIIB	
COc1ccc2c(c1)[C@@H](NC(=O)CCCOc1ccccc1)CC(C)(C)O2	218727181	ROXIQNSOILAECZ-IBGZPJMESA-N	369.461	4.273	70	40	FIIB	
Cc1ccc(S[C@H](C)C(=O)NCCCN2CCCc3ccccc32)cc1	218146365	GIXLQYPILHSEDF-GOSISDBHSA-N	368.546	4.435	70	40	FIIB	
Cc1ccc(OC[C@@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1	218036812	GFWPAUXTAWFZAZ-OAHLLOKOSA-N	363.910	4.465	70	40	FIIB	
COc1cccc(CCCNC(=O)CCCOc2ccc(Cl)cc2)c1	218735498	WFDBQTNJPQXLJP-UHFFFAOYSA-N	361.869	4.257	70	40	FIIB	
Cc1noc(-c2ccsc2NC(=O)COc2ccc(C(C)C)cc2)n1	217648646	CQQXLXVFVRMGPE-UHFFFAOYSA-N	357.435	4.247	70	40	FIIB	
COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1	218137021	HIBWKYNSUSWKET-JKSUJKDBSA-N	359.491	4.068	70	40	FIIB	
CN1C(=O)c2ccccc2N(C)[C@@H]1c1ccn(-c2ccc(Cl)cc2)c1	216712936	VKJGQSDYFLHFCF-IBGZPJMESA-N	351.837	4.351	70	40	FIIB	
COc1cc(CNC(=O)/C=C/c2ccc(Cl)cc2)ccc1OC(C)C	217957651	MLOCJCFJZNBNCL-YRNVUSSQSA-N	359.853	4.465	70	40	FIIB	
CCOc1ccc(-n2ccc([C@H]3N(C)C(=O)c4ccccc4N3C)c2)cc1	216713962	ZXAXTKBUZLSFDA-OAQYLSRUSA-N	361.445	4.097	70	40	FIIB	
C[C@@](O)(CNC(=O)NCCCc1ccccc1)c1cc2ccccc2s1	217522340	ZBGOVXDWYYSZKS-OAQYLSRUSA-N	368.502	4.041	70	40	FIIB	
Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Sc3ccccc3)n2)c1	218063192	VKOFTDFXEYBXAN-OAHLLOKOSA-N	367.474	4.184	70	40	FIIB	
CCc1ncc(NC(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)cn1	161213817	DSKYBDZNJZTRQH-ZDUSSCGKSA-N	359.499	4.030	70	40	FIIB	
Cc1ccc(SCCC(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1	218150918	NIWQPQYEJQLZBY-UHFFFAOYSA-N	367.474	4.152	70	40	FIIB	
C[C@@](O)(CNC(=O)c1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1	217990288	IDDTXYCCEPBRFH-GOSISDBHSA-N	364.228	4.377	70	40	FIIB	
CC[C@H](NC(=O)CCCOc1ccccc1)c1ccc(OC)c(OC)c1	218728126	HRTXFWZPJKCJJL-SFHVURJKSA-N	357.450	4.130	70	40	FIIB	
Cc1cccc(O[C@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)c1	218685326	BSUGAQLIUKXRSN-GOSISDBHSA-N	355.478	4.299	70	40	FIIB	
COc1ccc(/C=C/C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1OC	217923726	ZNZUMOATYKBCDJ-DPCFLFMUSA-N	367.445	4.136	70	40	FIIB	
CCCOc1ccccc1CCCNC(=O)CCCOc1ccccc1	218726132	WPWXQDUGUILEFN-UHFFFAOYSA-N	355.478	4.383	70	40	FIIB	
COc1ccccc1N1CCO[C@H]1c1ccn(-c2ccccc2OC)c1	216721886	ULTZKPUSBXWXMG-NRFANRHFSA-N	350.418	4.030	70	40	FIIB	
O=C1CS[C@H](c2ccn(-c3ccccc3F)c2)N1Cc1ccccc1	216673539	QCWIZADGVCGFDU-HXUWFJFHSA-N	352.434	4.391	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccc(F)cc1	218702997	MIZMYYOBSSLKIQ-UGSOOPFHSA-N	373.424	4.020	70	40	FIIB	
COc1ccc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1	218751219	WKMLHBCZTJPLTK-HNAYVOBHSA-N	369.461	4.190	70	40	FIIB	
CCOc1ccc(CNC(=O)c2cc3cccc(OC)c3o2)cc1OCC	218614558	MKDNWKQDWXLQMJ-UHFFFAOYSA-N	369.417	4.169	70	40	FIIB	
O=C1CS[C@H](c2ccn(-c3ccc(Cl)cc3)c2)N1Cc1ccco1	216676039	YTKXBHRGDCHJRW-GOSISDBHSA-N	358.850	4.498	70	40	FIIB	
Cc1ccc(-c2nnc([C@H]3CCCN(C(=O)c4cccs4)C3)o2)cc1	216650084	SMQQOYKHNDFZLI-HNNXBMFYSA-N	353.447	4.126	70	40	FIIB	
CCOc1ccc(CNC(=O)CSCc2ccccc2C)cc1OCC	218013647	FSPAAMFKACNGGY-UHFFFAOYSA-N	373.518	4.342	70	40	FIIB	
CCOc1cccc(-n2ccc([C@@H]3SCC(=O)N3Cc3ccco3)c2)c1	216677872	JOPBETKWPJQKHM-FQEVSTJZSA-N	368.458	4.243	70	40	FIIB	
CCCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc(OC)cc1	218750310	UJENYYKFAHPPKZ-KRWDZBQOSA-N	371.477	4.000	70	40	FIIB	
O=C(NC[C@H]1CCCN(c2nccs2)C1)c1ccc(Cl)c(Cl)c1	218155445	XNOZUCVYVHGEPQ-LLVKDONJSA-N	370.305	4.096	70	40	FIIB	
O=C(CSc1ccc(Cl)cc1)NCCCN1CCCc2ccccc21	217985371	FGEQRTWLBWGZQV-UHFFFAOYSA-N	374.937	4.391	70	40	FIIB	
CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21	218756706	ZTCUFWZAHMCNCF-RBUKOAKNSA-N	369.461	4.271	70	40	FIIB	
CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cncc(OC(C)C)c1)CCC2	161240022	UBKBHCQPLZICBJ-INIZCTEOSA-N	359.495	4.037	70	40	FIIB	
O=C(/C=C/c1ccc(Cl)cc1)NCc1nc(-c2ccccc2Cl)no1	217961782	ZUQSIGHVPDZJOM-JXMROGBWSA-N	374.227	4.373	70	40	FIIB	
Cc1cccc(O[C@@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)c1	218685237	BSUGAQLIUKXRSN-SFHVURJKSA-N	355.478	4.299	70	40	FIIB	
CCOc1cccc(-n2ccc([C@H]3SCC(=O)N3Cc3ccco3)c2)c1	216677917	JOPBETKWPJQKHM-HXUWFJFHSA-N	368.458	4.243	70	40	FIIB	
O=C(CSCc1cccc(Cl)c1)NCCCc1ccc(F)cc1	218035059	WSRFVPNGKOZXFD-UHFFFAOYSA-N	351.874	4.461	70	40	FIIB	
COc1cc(OC)cc(C(=O)Nc2ccccc2C(=O)c2ccccc2)c1	218174634	LOMDBJWDZFUDLC-UHFFFAOYSA-N	361.397	4.187	70	40	FIIB	
C[C@](O)(CNC(=O)c1ccccc1C(F)(F)F)c1cc2ccccc2o1	217989786	ZFHQIMZBRYECKW-SFHVURJKSA-N	363.335	4.089	70	40	FIIB	
CCOc1ccc(CCCNC(=O)c2ccc(Br)cc2)cc1	217868854	YQVVDOQTEPGWHS-UHFFFAOYSA-N	362.267	4.210	70	40	FIIB	
CCOc1ccc(CNC(=O)CSCc2ccc(C)cc2)cc1OCC	218020478	VWNUUTRNHOMVED-UHFFFAOYSA-N	373.518	4.342	70	40	FIIB	
COc1cc(CNC(=O)CSCc2ccc(C)cc2)ccc1OC(C)C	218020593	YSTASVLFQCZSRP-UHFFFAOYSA-N	373.518	4.340	70	40	FIIB	
Brc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccco2)c1	216747535	LCZQQKLRIJJJPC-GOSISDBHSA-N	373.250	4.364	70	40	FIIB	
CN1C(=O)c2ccccc2N(C)[C@@H]1c1ccn(-c2cccc(Cl)c2)c1	216712820	UWPIWFUQDMUWEF-IBGZPJMESA-N	351.837	4.351	70	40	FIIB	
Cc1ccc(OC[C@H](C)NC(=O)CSCc2ccccc2Cl)cc1	218029958	KNYKLPHOFWODOJ-HNNXBMFYSA-N	363.910	4.465	70	40	FIIB	
COc1ccc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1	218751355	WKMLHBCZTJPLTK-BEFAXECRSA-N	369.461	4.190	70	40	FIIB	
Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1	218664103	HRXZJDORJFWOCG-QGZVFWFLSA-N	355.478	4.255	70	40	FIIB	
COc1ccc(CCCNC(=O)CCCOc2ccc(Cl)cc2)cc1	218735576	JVBKWBHUCMWREU-UHFFFAOYSA-N	361.869	4.257	70	40	FIIB	
Cc1ccccc1-c1nnc([C@H]2CCCN(C(=O)c3cccs3)C2)o1	216647795	TXFRYYCTOYTEEK-AWEZNQCLSA-N	353.447	4.126	70	40	FIIB	
COc1ccc(-n2ccc([C@H]3OCCN3c3ccccc3OC)c2)cc1	216722038	FYNXYYNQYOLWII-OAQYLSRUSA-N	350.418	4.030	70	40	FIIB	
CN1CCC(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1	216921451	XXEAYYYFGXJXCM-UHFFFAOYSA-N	352.522	4.435	70	40	FIIB	
COc1ccc2c(c1)[C@H](NC(=O)c1ccccc1SC)CC(C)(C)O2	218193188	MFISVEATIQJADC-MRXNPFEDSA-N	357.475	4.449	70	40	FIIB	
CC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(C)cc1C	218129175	KITGAGYQLFOSBA-QGZVFWFLSA-N	357.450	4.210	70	40	FIIB	
CC[C@@H](C(=O)NCCn1nc(-c2cccs2)cc1C)c1ccccc1	217873604	LKBBOULHYBUJFE-QGZVFWFLSA-N	353.491	4.230	70	40	FIIB	
COc1cccc(CCCNC(=O)COc2ccc(Cl)cc2Cl)c1	217834904	SFGLAQHPQLZHLF-UHFFFAOYSA-N	368.260	4.130	70	40	FIIB	
COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(C)c(C)c2)c(OC)c1OC	218188669	FOZFTMZEHZVTPE-YBHKSSGVSA-N	369.461	4.220	70	40	FIIB	
CCOc1ccc(S(=O)(=O)Cl)cc1-c1noc(C2CCCCC2)n1	59825964	NXHGKRYONWPKNI-UHFFFAOYSA-N	370.858	4.111	70	40	FIIB	
CCOc1ccccc1-n1ccc([C@H]2SCC(=O)N2Cc2ccco2)c1	216677813	YVLOYKMEDIHGOS-HXUWFJFHSA-N	368.458	4.243	70	40	FIIB	
Cc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc3c(c1)OCO3)CC(C)(C)O2	217930331	QHIAFBQKWFDAHX-RCMYXZNBSA-N	365.429	4.156	70	40	FIIB	
Cc1ccc(C)c([C@H](C)NC(=O)CN2C(=O)c3cccc4cccc2c34)c1	218315882	CJQULNLXWBRJGR-INIZCTEOSA-N	358.441	4.294	70	40	FIIB	
O=C(NC[C@@H]1CCCN1c1nc2ccccc2o1)c1ccc(F)cc1Cl	217643371	AZVNGNSNGPTLBF-ZDUSSCGKSA-N	373.815	4.019	70	40	FIIB	
Brc1ccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)cc1	216746646	LAGIEEBZVUUHAG-GOSISDBHSA-N	373.250	4.364	70	40	FIIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(Cl)cc1	217832075	AONQCVBJHXIQQE-QGZVFWFLSA-N	359.853	4.446	70	40	FIIB	
CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1cccc(C)c1	218686325	NOMBPIMQDFZOGH-GOSISDBHSA-N	355.478	4.300	70	40	FIIB	
Cc1cccc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1	218687968	VRRLHYXIAASDRU-APWZRJJASA-N	353.462	4.489	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccccc1	218010855	MVOKHZCCQZNOQD-GOSISDBHSA-N	371.502	4.347	70	40	FIIB	
Cc1ccccc1-c1nnc([C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)o1	216647539	VUZWIXLFOHXNLM-MRXNPFEDSA-N	365.408	4.204	70	40	FIIB	
COc1cc(OC)cc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1	218175517	VUZKMMHCZXSHCO-SFHVURJKSA-N	355.434	4.044	70	40	FIIB	
C[C@](O)(CNC(=O)NCCCc1ccccc1)c1cc2ccccc2s1	217522422	ZBGOVXDWYYSZKS-NRFANRHFSA-N	368.502	4.041	70	40	FIIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccc(F)cc1	218702407	XRYJOTMBXIHMDY-KBXCAEBGSA-N	357.425	4.320	70	40	FIIB	
C[C@H](Sc1ccccc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1	216929282	XHYUJJZECPOQQJ-INIZCTEOSA-N	370.518	4.279	70	40	FIIB	
COc1cc(OC)cc(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1	218175700	NEGYUWRCVFUWJX-SFHVURJKSA-N	355.434	4.044	70	40	FIIB	
Cc1cc(C)cc(OCC(=O)NCCCc2ccc(OC(C)C)cc2)c1	218693004	IOSJMLIFAZJMNG-UHFFFAOYSA-N	355.478	4.218	70	40	FIIB	
COc1ccc(-n2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)c2)cc1	216674215	JSSJHOHIEJQCNJ-NRFANRHFSA-N	364.470	4.260	70	40	FIIB	
CC[C@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccc(OC)c(OC)c1	218061198	JVNZWZFRGSOVPG-PBHICJAKSA-N	359.491	4.452	70	40	FIIB	
Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)CC(C)(C)O2	218701822	ZKAPDBZYNIXNAT-KDOFPFPSSA-N	357.425	4.320	70	40	FIIB	
CCCOc1ccccc1CCCNC(=O)COc1ccc(C)c(C)c1	218721242	GNJQUZNJNLPAQQ-UHFFFAOYSA-N	355.478	4.220	70	40	FIIB	
COc1ccc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1	218751428	FUPMVUGSMIDWER-HNAYVOBHSA-N	369.461	4.190	70	40	FIIB	
COc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccc(F)cc1)CC(C)(C)O2	217913431	LNHGVKZANKEALN-QKIXSCASSA-N	355.409	4.266	70	40	FIIB	
CCOc1ccc(CNC(=O)CSCc2ccccc2)cc1OCC	218007617	NOXLBCGXUXJXKY-UHFFFAOYSA-N	359.491	4.034	70	40	FIIB	
CCOc1cccc(-n2ccc([C@H]3N(C)C(=O)c4ccccc4N3C)c2)c1	216714867	LOEUSWIPPTUNSK-OAQYLSRUSA-N	361.445	4.097	70	40	FIIB	
COc1ccc(-n2ccc([C@H]3OCCN3c3cccc(OC)c3)c2)cc1	216724734	CWGRFPVIJHKSBA-OAQYLSRUSA-N	350.418	4.030	70	40	FIIB	
Cc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(Cl)cc3)n2)cc1	217962424	YYMOXQLXYRCCMQ-KPKJPENVSA-N	367.836	4.370	70	40	FIIB	
NC(=O)c1cn(C(=O)c2cccc(OCc3ccccc3)c2)c2ccccc12	216944981	VNZITRFMBJRVPX-UHFFFAOYSA-N	370.408	4.008	70	40	FIIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(C)c(C)c1	218722131	YUAQBCQUEJDKSH-IBGZPJMESA-N	353.462	4.409	70	40	FIIB	
CCOc1ccc(-n2ccc([C@@H]3OCCN3c3ccccc3OC)c2)cc1	216722103	QHQLXPDHNYQLBM-QFIPXVFZSA-N	364.445	4.420	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSc1ccccc1	217973225	BTPPKCKWTHIWBY-KRWDZBQOSA-N	357.475	4.206	70	40	FIIB	
CCOc1ccc(CCCNC(=O)c2ccccc2Br)cc1	218221127	JOXMMPDDGWPPKU-UHFFFAOYSA-N	362.267	4.210	70	40	FIIB	
CC[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(C)c(C)c1	218129076	NVWNHDCNBJWYGJ-KRWDZBQOSA-N	357.450	4.210	70	40	FIIB	
C[C@@](O)(CNC(=O)c1ccc(Cl)s1)c1cc2ccccc2s1	217501147	AWZIADSPJJCMRY-MRXNPFEDSA-N	351.880	4.254	70	40	FIIB	
O=S(=O)(/C=C/c1ccccc1)Nc1ccsc1-c1nc(C2CC2)no1	217286845	MKQMJIWRYJZHID-PKNBQFBNSA-N	373.459	4.088	70	40	FIIB	
O=C(NCc1nc(-c2ccccc2)no1)/C(=C/c1ccco1)c1ccccc1	218106576	KQLAANAMZSTAFP-XMHGGMMESA-N	371.396	4.187	70	40	FIIB	
CC(C)Oc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1	217013377	WVTRCIVRUDVLQQ-UHFFFAOYSA-N	368.477	4.199	70	40	FIIB	
COc1ccccc1-n1ccc([C@H]2SCC(=O)N2Cc2ccccc2)c1	216674155	NGERBZVMEYLFAJ-OAQYLSRUSA-N	364.470	4.260	70	40	FIIB	
COc1ccc(/C=C/C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1	217919344	XBDDIFDOAHZFOV-YRVHBARZSA-N	351.446	4.435	70	40	FIIB	
Cc1cc(NC(=O)COc2ccc(C(C)C)cc2)cc2sc(N)nc12	216787002	NCTVJUZKJDADSK-UHFFFAOYSA-N	355.463	4.328	70	40	FIIB	
COc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc(C)cc1)CC(C)(C)O2	218180474	CGPQUCRQYYHPMJ-VSRDTVRMSA-N	351.446	4.435	70	40	FIIB	
O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(-c2cnco2)cc1	100041630	FWUPBFHGEDUEID-UHFFFAOYSA-N	355.218	4.256	70	40	FIIB	
CC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1	217860230	YUDVYHPWPURPHR-LJQANCHMSA-N	373.518	4.269	70	40	FIIB	
COc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc(F)cc1)CC(C)(C)O2	217913500	LNHGVKZANKEALN-PMQIGOLDSA-N	355.409	4.266	70	40	FIIB	
CN(CCCNC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1	217838748	CACGCJAJIBCURC-UHFFFAOYSA-N	367.276	4.015	70	40	FIIB	
CC(C)c1ccc(CCCNC(=O)/C=C/c2ccc3c(c2)OCO3)cc1	217933905	SPBVWHKPVSKRQO-XYOKQWHBSA-N	351.446	4.301	70	40	FIIB	
COc1ccc(CN2CCO[C@H]2c2ccn(-c3ccccc3OC)c2)cc1	216744079	DEOSRNXELFKPND-QFIPXVFZSA-N	364.445	4.026	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1cccc(C)c1	218688999	HPNAZJWEMYKBGN-HNAYVOBHSA-N	369.461	4.190	70	40	FIIB	
CC[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1	217833032	VMBUKGWQIHIRJB-INIZCTEOSA-N	363.841	4.004	70	40	FIIB	
COc1ccc(-n2ccc([C@@H]3OCCN3c3cccc(OC)c3)c2)cc1	216724685	CWGRFPVIJHKSBA-NRFANRHFSA-N	350.418	4.030	70	40	FIIB	
COc1ccc(/C=C/C(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1	217919641	PGGMSVZCJRIPSL-UBIUBJKMSA-N	367.445	4.136	70	40	FIIB	
CCOC(=O)c1ccc(OC)c(OC(=O)c2cccc3ccccc23)c1	216943196	JEDVOMPYCRUPBN-UHFFFAOYSA-N	350.370	4.244	70	40	FIIB	
Cc1cc(N(Cc2cccs2)C[C@@H]2CCCO2)nc(-c2cccnc2)n1	159574197	PLVKNIFREPHHJR-KRWDZBQOSA-N	366.490	4.094	70	40	FIIB	
CCOc1ccc(NC(=O)NC[C@](C)(O)c2cc3ccccc3s2)cc1	217522525	HSPCITDZZFDNKT-FQEVSTJZSA-N	370.474	4.329	70	40	FIIB	
Cc1cccc(O[C@@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)c1	218685435	NFYNXKPQPNOZIL-SFHVURJKSA-N	355.478	4.299	70	40	FIIB	
Cc1ccc(S[C@@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1	218145951	MFVAUDVFODGNJT-ZDUSSCGKSA-N	373.503	4.246	70	40	FIIB	
CCOc1cccc(-n2ccc([C@H]3OCCN3c3cccc(OC)c3)c2)c1	216725777	LSCTYMURASOYKH-JOCHJYFZSA-N	364.445	4.420	70	40	FIIB	
O=C(NC[C@](O)(c1ccccc1)C1CC1)c1ccccc1SC(F)F	217577297	HOKITFUOAWJTNU-IBGZPJMESA-N	363.429	4.029	70	40	FIIB	
CCOc1ccc(CNC(=O)[C@H](C)SCc2ccccc2)cc1OCC	218065051	HWQPBPYNVYAPGM-INIZCTEOSA-N	373.518	4.422	70	40	FIIB	
Cc1ccc(OCCCC(=O)NCCCN2CCCc3ccccc32)cc1	218734579	UGUMJODHQYAEKY-UHFFFAOYSA-N	366.505	4.113	70	40	FIIB	
Cc1ccc(OCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1	218710528	KORKIJZSPCNXJI-MRXNPFEDSA-N	361.869	4.228	70	40	FIIB	
C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1	218699435	ZKTKHBBQMALXPJ-HNNXBMFYSA-N	363.388	4.463	70	40	FIIB	
Cc1nnsc1C(=O)N1CCS[C@@H]1c1ccc(Cl)c(Cl)c1	217641259	BAYKLAPTPPYFAU-CYBMUJFWSA-N	360.291	4.041	70	40	FIIB	
CCc1ncc(NC(=O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)cn1	161213933	DSKYBDZNJZTRQH-CYBMUJFWSA-N	359.499	4.030	70	40	FIIB	
CN(Cc1nc(-c2ccccc2)no1)C(=O)/C=C/c1ccc(Cl)cc1	217962188	LVTYNQURBMGOPS-FMIVXFBMSA-N	353.809	4.062	70	40	FIIB	
Brc1cccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)c1	216746410	LCXBVEBWFLRAPI-GOSISDBHSA-N	373.250	4.364	70	40	FIIB	
COC(=O)c1c(C)n(C(=O)COc2ccc(C)c(C)c2)c2ccccc12	218738309	FWRWRJGVTXILNH-UHFFFAOYSA-N	351.402	4.072	70	40	FIIB	
Cc1ccccc1OC[C@H](C)NC(=O)CSCc1ccccc1Cl	218029761	WBIUVBOZUKLVND-HNNXBMFYSA-N	363.910	4.465	70	40	FIIB	
COc1ccc(CN2CCO[C@H]2c2ccn(-c3cccc(OC)c3)c2)cc1	216743637	UHAPSQSWWMSXOI-QFIPXVFZSA-N	364.445	4.026	70	40	FIIB	
COc1cccc(CCCNC(=O)CSCc2cccc(Cl)c2)c1	218035250	CJUZYOQYFJQZMF-UHFFFAOYSA-N	363.910	4.331	70	40	FIIB	
Brc1cccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)c1	216746361	LCXBVEBWFLRAPI-SFHVURJKSA-N	373.250	4.364	70	40	FIIB	
COc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1OC	217879993	GAEQGDPSKAJVIU-INIZCTEOSA-N	355.434	4.044	70	40	FIIB	
COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1	218137187	HIBWKYNSUSWKET-HOTGVXAUSA-N	359.491	4.068	70	40	FIIB	
COc1cccc(-n2ccc([C@@H]3OCCN3c3ccccc3OC)c2)c1	216721418	QTORBVCLSXIIER-NRFANRHFSA-N	350.418	4.030	70	40	FIIB	
O=C1CS[C@@H](c2ccn(-c3ccccc3F)c2)N1Cc1ccccc1	216673488	QCWIZADGVCGFDU-FQEVSTJZSA-N	352.434	4.391	70	40	FIIB	
CCCNC(=O)OC[C@]12CO[C@@H]3c4ccccc4O[C@@](C)(C[C@H]1C)[C@H]3[C@@H]2C	217357299	GXXFHMDMWMPTFR-UEVIFNKNSA-N	373.493	4.324	70	40	FIIB	
COc1ccc2c(c1)[C@H](NC(=O)CCCOc1ccccc1)CC(C)(C)O2	218727261	ROXIQNSOILAECZ-LJQANCHMSA-N	369.461	4.273	70	40	FIIB	
COc1cccc(CCCNC(=O)CSCc2ccccc2Cl)c1	218028225	WOZLCIKCYXKXKC-UHFFFAOYSA-N	363.910	4.331	70	40	FIIB	
Cc1cc(S(=O)(=O)Cl)c(C)cc1Oc1ccc(C(F)(F)F)cn1	115350652	MSQIZGGYTPSJRW-UHFFFAOYSA-N	365.760	4.437	70	40	FIIB	
CC(C)Oc1ccc(CCCNC(=O)COc2ccc(Cl)cc2)cc1	217830561	KKFBYLGOEMFCSC-UHFFFAOYSA-N	361.869	4.255	70	40	FIIB	
CCc1ccc(N2CCO[C@H]2c2cn(Cc3ccccc3Cl)nn2)cc1	216768422	UZVDSCTVSQJBIE-FQEVSTJZSA-N	368.868	4.078	70	40	FIIB	
CCN(Cc1nc(-c2cccs2)no1)C(=O)CCCOc1ccccc1	218728800	AXOYSHZBVDMTCS-UHFFFAOYSA-N	371.462	4.006	70	40	FIIB	
Cc1ccccc1-c1nnc(C2CCN(C(=O)c3ccc(F)cc3)CC2)o1	216632094	VJKKAVBWOYRLFW-UHFFFAOYSA-N	365.408	4.204	70	40	FIIB	
O=C(NCCn1ccc(-c2ccsc2)n1)c1ccccc1C(F)(F)F	217884670	ALFCSUPDQHRPEV-UHFFFAOYSA-N	365.380	4.060	70	40	FIIB	
Cc1ccc(C)c([C@@H](C)NC(=O)CN2C(=O)c3cccc4cccc2c34)c1	218315814	CJQULNLXWBRJGR-MRXNPFEDSA-N	358.441	4.294	70	40	FIIB	
CC[C@@H](NC(=O)CSc1ccc(C)cc1)c1ccc(OC)c(OC)c1	217978512	PJCWEDQNBTUKDW-QGZVFWFLSA-N	359.491	4.372	70	40	FIIB	
COc1ccc(/C=C/C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1	217919426	XBDDIFDOAHZFOV-BEBFYNPSSA-N	351.446	4.435	70	40	FIIB	
COc1ccc(CSCC(=O)Nc2ccccc2Br)cc1	218110437	QXYYCMPLMKZKHO-UHFFFAOYSA-N	366.280	4.330	70	40	FIIB	
O=C(NCCCN1CCCc2ccccc21)c1ccccc1Br	218223468	AWPZQYLEAJYYQO-UHFFFAOYSA-N	373.294	4.022	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cc(C)cc(C)c1	218694855	TVQJIZGNWOWSJO-IBGZPJMESA-N	369.461	4.109	70	40	FIIB	
Cc1ccc(-c2nnc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)o2)cc1	216649857	DUAJSPOCLALWRW-KRWDZBQOSA-N	365.408	4.204	70	40	FIIB	
O=C(c1ccc(F)cc1)N1CCC[C@H](c2nnc(-c3ccccc3F)o2)C1	216645398	IFIWNUQOYCNHSO-AWEZNQCLSA-N	369.371	4.035	70	40	FIIB	
Cc1ccccc1-c1nnc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)o1	216647581	VUZWIXLFOHXNLM-INIZCTEOSA-N	365.408	4.204	70	40	FIIB	
Cc1ccc(SCC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1	217979201	GRAGUJPZSNZSHU-UHFFFAOYSA-N	367.474	4.104	70	40	FIIB	
CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCCc1ccccc1Cl	218755005	UKIGZUOMTIRZKF-LJQANCHMSA-N	361.869	4.255	70	40	FIIB	
O=C(c1cc2ccccc2s1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217816397	QBGUFAWPTZDFDG-CYBMUJFWSA-N	367.474	4.257	70	40	FIIB	
COc1cccc(-n2ccc([C@H]3SCC(=O)N3Cc3ccccc3)c2)c1	216673740	VLYYNBAFQICQSN-OAQYLSRUSA-N	364.470	4.260	70	40	FIIB	
CCOc1ccc(-n2ccc([C@@H]3OCCN3c3cccc(OC)c3)c2)cc1	216724794	NUGCLBAVRNNLMV-QFIPXVFZSA-N	364.445	4.420	70	40	FIIB	
COc1cccc2cc(C(=O)NCCCN3CCCc4ccccc43)oc12	218620361	WONLWMUFAVCGDX-UHFFFAOYSA-N	364.445	4.014	70	40	FIIB	
CC[C@@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccc(OC)c(OC)c1	218061113	JVNZWZFRGSOVPG-RHSMWYFYSA-N	359.491	4.452	70	40	FIIB	
O=C(OC[C@H]1CCCN2CCCC[C@@H]12)[C@@]12C[C@@H]3C[C@@H](C[C@@](Cl)(C3)C1)C2	217444488	IJUBJARZEOLNML-YNJLUXMJSA-N	365.945	4.372	70	40	FIIB	
COc1ccc2c(c1)[C@H](NC(=O)COc1ccc(C)c(C)c1)CC(C)(C)O2	218722397	CQIJEAYRWFRQQK-LJQANCHMSA-N	369.461	4.109	70	40	FIIB	
CC[C@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1	95698295	UMAWSMDPOSPKRW-NSHDSACASA-N	365.282	4.064	70	40	FIIB	
COc1cc(CNC(=O)/C=C/c2ccccc2Cl)ccc1OC(C)C	217899212	KKWKREHGJMXEIO-PKNBQFBNSA-N	359.853	4.465	70	40	FIIB	
CCOc1ccc(CCCNC(=O)[C@H](C)SCc2ccccc2)cc1	218068464	NVICLYRRYMGNRW-KRWDZBQOSA-N	357.519	4.456	70	40	FIIB	
CN1CCC(Oc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)CC1	217037259	NJXVJBASVKVXEH-UHFFFAOYSA-N	359.857	4.457	70	40	FIIB	
CCOc1ccc(CCCNC(=O)c2cc3cccc(OC)c3o2)cc1	218616000	HYHNXGBBYQAFMC-UHFFFAOYSA-N	353.418	4.203	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1cccc(C)c1	218688925	HPNAZJWEMYKBGN-KXBFYZLASA-N	369.461	4.190	70	40	FIIB	
COc1cc(CNC(=O)CCCOc2ccc(C)cc2)ccc1OC(C)C	218729266	LYQJSPJOIRQALX-UHFFFAOYSA-N	371.477	4.266	70	40	FIIB	
COc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3OC)c2)cc1	216744032	DEOSRNXELFKPND-JOCHJYFZSA-N	364.445	4.026	70	40	FIIB	
CCCNC(=O)OC[C@]12CO[C@H]3c4ccccc4O[C@@](C)(C[C@H]1C)[C@H]3[C@@H]2C	217357210	GXXFHMDMWMPTFR-LPYNFVCWSA-N	373.493	4.324	70	40	FIIB	
COc1ccccc1-n1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)c1	216674115	NGERBZVMEYLFAJ-NRFANRHFSA-N	364.470	4.260	70	40	FIIB	
COc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3F)c2)cc1	216743357	CKLYXLMLUINPPV-OAQYLSRUSA-N	352.409	4.156	70	40	FIIB	
COc1cccc([C@H]2SCCN2C(=O)c2cc(-c3ccccc3)on2)c1	217637700	QCDSCAVXWFECGZ-HXUWFJFHSA-N	366.442	4.238	70	40	FIIB	
Cc1ccccc1OC[C@H](C)NC(=O)CSCc1ccc(Cl)cc1	218043076	OKQWZEMALKACEJ-HNNXBMFYSA-N	363.910	4.465	70	40	FIIB	
Cc1cc(O[C@H](C)C(=O)NCCCN(C)c2ccccc2)cc(C)c1Cl	218719252	NTKQLAWWVICZPR-QGZVFWFLSA-N	374.912	4.367	70	40	FIIB	
COc1cccc(N2CCO[C@@H]2c2ccn(-c3cccc(OC)c3)c2)c1	216724138	UJIXXTLEFIXGEI-OAQYLSRUSA-N	350.418	4.030	70	40	FIIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccc(F)cc1	218702333	XRYJOTMBXIHMDY-KSSFIOAISA-N	357.425	4.320	70	40	FIIB	
CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2ccc(OC)cc2)cc1	218756815	MGXIXTQGRDYODE-OAQYLSRUSA-N	371.477	4.000	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Cc1ccc(Cl)cc1	218530346	GFXVPOKSZXLYNQ-KRWDZBQOSA-N	359.853	4.310	70	40	FIIB	
Cc1ccc(OCCNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1	218710594	KORKIJZSPCNXJI-INIZCTEOSA-N	361.869	4.228	70	40	FIIB	
Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Sc3ccccc3)n2)cc1	218063424	LACCOWXJYSBLMN-HNNXBMFYSA-N	367.474	4.184	70	40	FIIB	
Cc1cccc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1	218688295	FEIQZORMAXPPQM-APWZRJJASA-N	353.462	4.489	70	40	FIIB	
C[C@](O)(CNC(=O)c1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1	217990358	IDDTXYCCEPBRFH-SFHVURJKSA-N	364.228	4.377	70	40	FIIB	
CCCCCCOc1ccc(S(=O)(=O)Cl)c(Br)c1	103703503	FEBNWWQWDMEZDA-UHFFFAOYSA-N	355.681	4.336	70	40	FIIB	
COC(=O)c1c(C)n(C(=O)COc2cccc(C)c2C)c2ccccc12	216725227	AECQANRZRYRKAR-UHFFFAOYSA-N	351.402	4.072	70	40	FIIB	
O=C(Nc1cccc(Cl)c1)Oc1ccc(S(=O)(=O)F)cc1Cl	104161551	HGYSYBNNYLWNDY-UHFFFAOYSA-N	364.181	4.263	70	40	FIIB	
CCc1ccccc1-n1ccc([C@@H]2SCC(=O)N2Cc2ccco2)c1	216677441	QGQIBLJZVSGCCX-FQEVSTJZSA-N	352.459	4.407	70	40	FIIB	
Cn1nc(CN(C(=O)c2cccc(Cl)c2)C2CCCC2)c2c1CCC2	217908916	PCKVAABGQFCXGK-UHFFFAOYSA-N	357.885	4.147	70	40	FIIB	
O=C1CS[C@H](c2ccn(-c3cccc(F)c3)c2)N1Cc1ccccc1	216675032	MQOHFDMBERHYMX-HXUWFJFHSA-N	352.434	4.391	70	40	FIIB	
COc1cc(CNC(=O)CCSc2ccccc2)ccc1OC(C)C	218079333	JWOIFEXZCMOWLB-UHFFFAOYSA-N	359.491	4.281	70	40	FIIB	
COc1ccc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1	218751527	FUPMVUGSMIDWER-KXBFYZLASA-N	369.461	4.190	70	40	FIIB	
Cc1ccc(SCCC(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1	218151579	YJFQDONYPYYVOG-UHFFFAOYSA-N	367.474	4.186	70	40	FIIB	
CCOc1ccc(-n2ccc([C@@H]3SCC(=O)N3Cc3ccco3)c2)cc1	216677006	RXCHGGGOQMMGLY-FQEVSTJZSA-N	368.458	4.243	70	40	FIIB	
Cc1ccc(OC[C@@H](C)NC(=O)CCCOc2ccc(Cl)cc2)cc1	218736613	HOMAAVIWQFLCJE-MRXNPFEDSA-N	361.869	4.391	70	40	FIIB	
CN1CCC(CCNC(=O)CC(c2ccccc2)c2ccccc2)CC1	217016909	RXSGHQVJHBEGSP-UHFFFAOYSA-N	350.506	4.057	70	40	FIIB	
Nc1ccc(OS(=O)(=O)C(F)(F)F)cc1S(F)(F)(F)(F)F	103631411	FALPSWRJHZMBGR-UHFFFAOYSA-N	367.239	4.155	70	40	FIIB	
Cc1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1S(=O)(=O)Cl	95698257	JRRFUUFVHYLYGP-UHFFFAOYSA-N	359.234	4.220	70	40	FIIB	
Cc1ccccc1CSCCNC(=O)c1ccccc1Br	218220452	JHUBHNPNTQYWGI-UHFFFAOYSA-N	364.308	4.421	70	40	FIIB	
O=C(Nc1ccc(F)cc1)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1	95698290	ALSKVGWOGVFIBO-UHFFFAOYSA-N	363.197	4.051	70	40	FIIB	
Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3nc(N)sc3c2)c1	216786532	NJOYKKZCNMRJMP-UHFFFAOYSA-N	355.463	4.328	70	40	FIIB	
C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1	218699351	ZKTKHBBQMALXPJ-OAHLLOKOSA-N	363.388	4.463	70	40	FIIB	
CN1CCC(Oc2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)CC1	216926543	PREZQMZZWNTDIW-IZZDOVSWSA-N	370.880	4.465	70	40	FIIB	
COc1ccc(OC[C@@H](C)NC(=O)CSc2ccc(Cl)cc2)cc1	217980680	AMJZUXMBWJDDAI-CYBMUJFWSA-N	365.882	4.024	70	40	FIIB	
CC[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1)c1ccc(OC)c(OC)c1	218689915	DDNFBWIQJVDIFP-MAUKXSAKSA-N	357.450	4.047	70	40	FIIB	
Cc1cc(N(Cc2cccs2)C[C@H]2CCCO2)nc(-c2cccnc2)n1	159574331	PLVKNIFREPHHJR-QGZVFWFLSA-N	366.490	4.094	70	40	FIIB	
CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2ccc(OC)cc2)cc1	218756860	MGXIXTQGRDYODE-NRFANRHFSA-N	371.477	4.000	70	40	FIIB	
CC[C@H](NC(=O)c1cc2cccc(OC)c2o1)c1ccc(OC)c(OC)c1	218618257	FRISVFIHDNMSGT-HNNXBMFYSA-N	369.417	4.340	70	40	FIIB	
CCOc1ccc(CCCNC(=O)CCCOc2ccc(OC)cc2)cc1	218740685	DDEPBUMKKWHEEX-UHFFFAOYSA-N	371.477	4.002	70	40	FIIB	
O=S(=O)(Cl)c1ccc(-n2ccc(-c3ccc(Cl)cc3)n2)cc1	100508505	QHNVZKGLZQXOQY-UHFFFAOYSA-N	353.230	4.120	70	40	FIIB	
CCCOc1ccccc1CCCNC(=O)COc1ccc(Cl)cc1	217831014	FWSBJIBPOZTYEP-UHFFFAOYSA-N	361.869	4.257	70	40	FIIB	
COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)CC(C)(C)O2	218688406	DRSRVZLYXMVKBW-BEFAXECRSA-N	369.461	4.190	70	40	FIIB	
COC(=O)c1c(C)n(C(=O)COc2ccc(C)cc2C)c2ccccc12	218736379	IIVYAZOELGKPJA-UHFFFAOYSA-N	351.402	4.072	70	40	FIIB	
O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1C(=O)c1ccccc1	217928694	UPTOYXJDDJCEHT-ACCUITESSA-N	371.392	4.298	70	40	FIIB	
COc1ccc2c(c1)[C@@H](NC(=O)COc1cc(C)cc(C)c1)CC(C)(C)O2	218694651	PTEBCSSZQQJJKW-IBGZPJMESA-N	369.461	4.109	70	40	FIIB	
COc1ccc(OC[C@H](C)NC(=O)CCSc2ccc(C)cc2)cc1	218147572	XHJLFACXGJORGB-INIZCTEOSA-N	359.491	4.070	70	40	FIIB	
O=C(/C(=C/c1ccco1)c1ccccc1)N1CCN(Cc2ccccc2)CC1	218097990	HFLLHWCCGRKBGI-PTGBLXJZSA-N	372.468	4.165	70	40	FIIB	
CCOc1cccc(-n2ccc([C@H]3OCCN3c3ccccc3OC)c2)c1	216723026	YYLGOITZEMOFKQ-JOCHJYFZSA-N	364.445	4.420	70	40	FIIB	
Cc1ccc(SCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1	216927791	HAUCAMDDHXYWRP-UHFFFAOYSA-N	370.518	4.199	70	40	FIIB	
COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)CC(C)(C)O2	218702742	OOUOUQYJRWFGGN-SCLBCKFNSA-N	373.424	4.020	70	40	FIIB	
COc1cc(CNC(=O)c2cc3cccc(OC)c3o2)ccc1OC(C)C	218614656	SIOOCENNUDZGBL-UHFFFAOYSA-N	369.417	4.167	70	40	FIIB	
CCOc1ccc(CNC(=O)[C@@H](C)SCc2ccccc2)cc1OCC	218064974	HWQPBPYNVYAPGM-MRXNPFEDSA-N	373.518	4.422	70	40	FIIB	
O=C(NC[C@@H]1CCCN(c2nccs2)C1)c1ccc(Cl)c(Cl)c1	218155381	XNOZUCVYVHGEPQ-NSHDSACASA-N	370.305	4.096	70	40	FIIB	
COc1ccc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1	218751312	WKMLHBCZTJPLTK-KXBFYZLASA-N	369.461	4.190	70	40	FIIB	
CCOc1ccccc1-n1ccc([C@@H]2SCC(=O)N2Cc2ccco2)c1	216677768	YVLOYKMEDIHGOS-FQEVSTJZSA-N	368.458	4.243	70	40	FIIB	
Cc1nn(C)c(C)c1C(=O)N1CCS[C@@H]1c1ccc(Cl)c(Cl)c1	217646843	DYZHPWFHHPPAIO-MRXNPFEDSA-N	370.305	4.232	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccc(F)cc1	218703061	MIZMYYOBSSLKIQ-SCLBCKFNSA-N	373.424	4.020	70	40	FIIB	
COc1ccc(CSCC(=O)NCCCc2ccc(Cl)cc2)cc1	218112722	XKYCALGBJQIQJX-UHFFFAOYSA-N	363.910	4.331	70	40	FIIB	
Cc1ccc(S[C@@H](C)C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1	218143163	ULZRPIYOPVPZOU-HNNXBMFYSA-N	367.474	4.150	70	40	FIIB	
CCOc1cccc(-n2ccc([C@@H]3OCCN3c3cccc(OC)c3)c2)c1	216725727	LSCTYMURASOYKH-QFIPXVFZSA-N	364.445	4.420	70	40	FIIB	
COc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccccc1OC)CC(C)(C)O2	217967349	IXPDTDURQLCTML-PEKVBPLLSA-N	367.445	4.136	70	40	FIIB	
COc1ccc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1	218751261	WKMLHBCZTJPLTK-DNVCBOLYSA-N	369.461	4.190	70	40	FIIB	
COc1ccc(OC[C@H](C)NC(=O)CSc2ccc(Cl)cc2)cc1	217980768	AMJZUXMBWJDDAI-ZDUSSCGKSA-N	365.882	4.024	70	40	FIIB	
COc1cc(CNC(=O)CSCc2ccccc2)ccc1OC(C)C	218007718	IPJXGABIWOEEIS-UHFFFAOYSA-N	359.491	4.032	70	40	FIIB	
Cc1ccc(OC[C@@H](C)NC(=O)CSCc2ccc(Cl)cc2)cc1	218043179	NMGULZKEZXUZTA-OAHLLOKOSA-N	363.910	4.465	70	40	FIIB	
Cc1ccc(S[C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1	218144604	PPLSFYRLWZYNDR-OAHLLOKOSA-N	367.474	4.184	70	40	FIIB	
CC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(C)c(C)c1	218128995	NVWNHDCNBJWYGJ-QGZVFWFLSA-N	357.450	4.210	70	40	FIIB	
Cc1ccccc1-c1nnc(C2CCN(C(=O)c3cccs3)CC2)o1	216632234	GHIYCQFFGJDGHV-UHFFFAOYSA-N	353.447	4.126	70	40	FIIB	
COc1cc(CNC(=O)[C@H](C)Sc2ccccc2)ccc1OC(C)C	218055445	OZIKXCDYEGEBJY-HNNXBMFYSA-N	359.491	4.279	70	40	FIIB	
COc1cccc(-n2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)c2)c1	216673696	VLYYNBAFQICQSN-NRFANRHFSA-N	364.470	4.260	70	40	FIIB	
Cc1cc(C)cc(OCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1	218694458	IISIFPFCVKMQAO-IBGZPJMESA-N	353.462	4.409	70	40	FIIB	
COc1ccc(/C=C/C(=O)NCCCc2ccccc2Cl)cc1OC	217922738	MZPHDBAXZBKLAS-ZRDIBKRKSA-N	359.853	4.119	70	40	FIIB	
Cc1ccc(OCCNC(=O)CSCc2c(F)cccc2Cl)cc1	218201498	FQWPYJICMFHQGA-UHFFFAOYSA-N	367.873	4.216	70	40	FIIB	
COc1ccc(/C=C/C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1OC	217923809	ZNZUMOATYKBCDJ-JICACKBISA-N	367.445	4.136	70	40	FIIB	
COc1ccc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1	218751586	FUPMVUGSMIDWER-BEFAXECRSA-N	369.461	4.190	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C=C/c1ccccc1OC	217967609	RQSDRLBLJQSKQL-ZPHJMFTNSA-N	367.445	4.136	70	40	FIIB	
Cc1cc(-c2cccs2)nn1CCNC(=O)c1cc2ccccc2o1	217873900	BYKVOSMQOPLSMN-UHFFFAOYSA-N	351.431	4.096	70	40	FIIB	
COc1ccc2c(c1)[C@@H](NC(=O)CSc1ccccc1)CC(C)(C)O2	217973021	DXCFRHMJRFWMSG-KRWDZBQOSA-N	357.475	4.206	70	40	FIIB	
C[C@H]1CCCN(C(=O)Nc2cccc3c(S(=O)(=O)Cl)cccc23)C1	110167087	LSQSTPUCADOMIH-LBPRGKRZSA-N	366.870	4.031	70	40	FIIB	
Cc1cc(C)cc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1	218694260	NSWFTIGEYRYZOY-IBGZPJMESA-N	353.462	4.409	70	40	FIIB	
COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)CC(C)(C)O2	218688496	DRSRVZLYXMVKBW-DNVCBOLYSA-N	369.461	4.190	70	40	FIIB	
Cc1cccc(-c2noc(CNC(=O)/C=C/c3ccc(Cl)cc3)n2)c1	217961489	IYSHVVLKPDOGEN-JXMROGBWSA-N	353.809	4.028	70	40	FIIB	
CCOc1ccc(CCCNC(=O)CSCc2ccccc2C)cc1	218015642	WJAXMLHWOUOMAP-UHFFFAOYSA-N	357.519	4.376	70	40	FIIB	
C[C@H](Sc1ccccc1)C(=O)NCCCN1CCCc2ccccc21	218064499	IZVQJACRKVMHHU-KRWDZBQOSA-N	354.519	4.126	70	40	FIIB	
Cc1ccccc1CSCC(=O)NCCCN1CCCc2ccccc21	218020239	RDCXCLCSICSUHA-UHFFFAOYSA-N	368.546	4.187	70	40	FIIB	
CCOc1ccc(CNC(=O)[C@@H](C)Sc2ccccc2)cc1OCC	218055239	YTAWHTDDXKQNGR-OAHLLOKOSA-N	359.491	4.281	70	40	FIIB	
Cc1ccc(-c2nnc(C3CCN(C(=O)c4ccc(F)cc4)CC3)o2)cc1	216633293	SVXBBFODYSQNKB-UHFFFAOYSA-N	365.408	4.204	70	40	FIIB	
C[C@](O)(CNC(=O)CCSc1ccccc1)c1cc2ccccc2s1	217503642	GNBFUUICMJICAX-FQEVSTJZSA-N	371.527	4.407	70	40	FIIB	
Cc1ccc2c(c1)[C@H](NC(=O)COc1ccc(C)c(C)c1)CC(C)(C)O2	218722036	YHDJHBHSUZOQKC-LJQANCHMSA-N	353.462	4.409	70	40	FIIB	
CCOc1ccc(CNC(=O)/C=C/c2ccccc2Cl)cc1OCC	217899081	GNUKTZBIVBFGSV-ZRDIBKRKSA-N	359.853	4.467	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1SC	218193310	OAUWGXQNDZVKOU-INIZCTEOSA-N	357.475	4.449	70	40	FIIB	
O=C(CCSc1ccccc1)NCCCN1CCCc2ccccc21	218085640	CTSAHNQDJVMKEK-UHFFFAOYSA-N	354.519	4.128	70	40	FIIB	
CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)/C=C/c1ccc(F)cc1	217916169	VBCXLUMPFNKIHP-NYYWCZLTSA-N	371.799	4.201	70	40	FIIB	
Cc1ccc(-c2noc(CNC(=O)CSc3ccc(Cl)cc3)n2)cc1	217983815	AYJWWBOPQLMIHM-UHFFFAOYSA-N	373.865	4.107	70	40	FIIB	
Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)CC(C)(C)O2	218701992	ZKAPDBZYNIXNAT-KSSFIOAISA-N	357.425	4.320	70	40	FIIB	
COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)CC(C)(C)O2	218702500	OOUOUQYJRWFGGN-ACJLOTCBSA-N	373.424	4.020	70	40	FIIB	
COc1cc(CNC(=O)[C@@H](C)SCc2ccccc2)ccc1OC(C)C	218065148	WIDIMGWAMNCALC-MRXNPFEDSA-N	373.518	4.421	70	40	FIIB	
CN1CCC(Oc2ccc(CNC(=O)Nc3ccc(Cl)cc3)cc2)CC1	217037312	CNNHSJJYEKRWAC-UHFFFAOYSA-N	373.884	4.135	70	40	FIIB	
CSc1ccccc1C(=O)N(Cc1nn(C)c2c1CCC2)C1CCCC1	217910384	LSBIIUZGTWCPBX-UHFFFAOYSA-N	369.534	4.216	70	40	FIIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccc(F)cc1	218702184	XRYJOTMBXIHMDY-KDOFPFPSSA-N	357.425	4.320	70	40	FIIB	
Cc1cc(Oc2ccc(C(F)(F)F)cn2)ccc1S(=O)(=O)Cl	115350352	WFKAHTBESLHCJG-UHFFFAOYSA-N	351.733	4.129	70	40	FIIB	
Cc1ccccc1OC[C@H](C)NC(=O)COc1ccc(Cl)cc1Cl	217836065	SSRBYIZBUAUBGE-ZDUSSCGKSA-N	368.260	4.264	70	40	FIIB	
Cc1cc(-c2cccs2)nn1CCNC(=O)c1ccc(F)cc1Cl	217874197	GICAWALFAVZIJP-UHFFFAOYSA-N	363.845	4.143	70	40	FIIB	
CC[C@@H](NC(=O)CCCOc1ccc(C)cc1)c1ccc(OC)c(OC)c1	218732663	UCNJZCGILRFBIM-LJQANCHMSA-N	371.477	4.439	70	40	FIIB	
Cc1cccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(Cl)cc3)n2)c1	217962311	COCAJVUEPCUSEJ-DHZHZOJOSA-N	367.836	4.370	70	40	FIIB	
O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1csc(-c2cccnc2)n1	100041653	LHRLGPDYSCUADI-UHFFFAOYSA-N	372.274	4.120	70	40	FIIB	
COc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(C)c(C)c1)CC(C)(C)O2	218722315	CQIJEAYRWFRQQK-IBGZPJMESA-N	369.461	4.109	70	40	FIIB	
Cc1ccc(CSCC(=O)NCCCN2CCCc3ccccc32)cc1	218027061	MESDRHGUSQWBSR-UHFFFAOYSA-N	368.546	4.187	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C=C/c1ccc(F)cc1	217913576	PVKRNGLYCRZJDW-QKIXSCASSA-N	355.409	4.266	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1cccc(C)c1	218688851	HPNAZJWEMYKBGN-DNVCBOLYSA-N	369.461	4.190	70	40	FIIB	
O=C1CS[C@H](c2ccn(-c3cccc(Cl)c3)c2)N1Cc1ccco1	216675936	XCXMSSYEVZUFBF-GOSISDBHSA-N	358.850	4.498	70	40	FIIB	
CCOc1ccc(CNC(=O)CCCOc2ccc(C)cc2)cc1OCC	218729178	JECZFKPIZNWDSC-UHFFFAOYSA-N	371.477	4.268	70	40	FIIB	
COc1cccc(-c2nnc(-c3cnc(Cc4ccccc4)nc3C)o2)c1	216664866	HJJDQJIIFIDNJJ-UHFFFAOYSA-N	358.401	4.101	70	40	FIIB	
O=C1O[C@]2(CCCN(C(=O)Cc3cccc4ccccc34)C2)c2ccccc21	217598289	JZCPAURHEKRZHZ-DEOSSOPVSA-N	371.436	4.071	70	40	FIIB	
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN(C)c1ccccc1	218672520	QPTOXWAMOQUFFC-GOSISDBHSA-N	368.521	4.394	70	40	FIIB	
CCCOc1ccccc1CCCNC(=O)COc1cc(C)cc(C)c1	218693504	BPRWXAKSZNLVMG-UHFFFAOYSA-N	355.478	4.220	70	40	FIIB	
COc1ccccc1CCCNC(=O)CSCc1ccccc1Cl	218028116	ZCAKUAXYJMVDRI-UHFFFAOYSA-N	363.910	4.331	70	40	FIIB	
CC[C@@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccc(OC)c(OC)c1	218061265	JVNZWZFRGSOVPG-WMLDXEAASA-N	359.491	4.452	70	40	FIIB	
O=C(/C=C/c1ccccc1Cl)NCCCN1CCCc2ccccc21	217904054	JQIGBCJCPOGSRF-OUKQBFOZSA-N	354.881	4.312	70	40	FIIB	
COc1ccc2c(c1)[C@H](NC(=O)CSCc1ccccc1)CC(C)(C)O2	218010679	IZNZRHBOWRAGGM-GOSISDBHSA-N	371.502	4.347	70	40	FIIB	
Cc1ccccc1OC[C@@H](C)NC(=O)COc1ccc(Cl)cc1Cl	217835997	SSRBYIZBUAUBGE-CYBMUJFWSA-N	368.260	4.264	70	40	FIIB	
C[C@@](O)(CNC(=O)CCc1cccc(Cl)c1)c1cc2ccccc2o1	217994003	ZHJHXSVKZPPHHE-HXUWFJFHSA-N	357.837	4.043	70	40	FIIB	
CCOc1ccccc1C(=O)N(Cc1cc(C2CC2)n(C)n1)C1CCCC1	217898406	OQDFEANSBGVZQM-UHFFFAOYSA-N	367.493	4.281	70	40	FIIB	
CN1CCC(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1	216897267	HYWHYOQADFBVOX-UHFFFAOYSA-N	370.880	4.241	70	40	FIIB	
O=C(/C=C/c1ccc(Cl)cc1)NCc1nc(-c2ccc(Cl)cc2)no1	217961880	NQLWVQJPZRFBHR-XCVCLJGOSA-N	374.227	4.373	70	40	FIIB	
CCOC(=O)c1c(C)n(Cc2cccnc2)c2ccc(OC(C)C)cc12	217762505	MBIGTGNPJIPKRQ-UHFFFAOYSA-N	352.434	4.357	70	40	FIIB	
CC[C@H](NC(=O)CSCc1ccccc1)c1ccc(OC)c(OC)c1	218011448	OYTBWAUGMXLBNC-KRWDZBQOSA-N	359.491	4.205	70	40	FIIB	
CN1C(=O)c2ccccc2N(C)[C@H]1c1ccn(-c2cccc(Cl)c2)c1	216712859	UWPIWFUQDMUWEF-LJQANCHMSA-N	351.837	4.351	70	40	FIIB	
CCOc1ccc(-n2ccc([C@H]3OCCN3c3ccccc3OC)c2)cc1	216722141	QHQLXPDHNYQLBM-JOCHJYFZSA-N	364.445	4.420	70	40	FIIB	
CCCOc1cccc(C(=O)n2c(C)c(C(=O)OC)c3ccccc32)c1	216957158	BVZPOVUOYLOPGW-UHFFFAOYSA-N	351.402	4.214	70	40	FIIB	
CCc1ccccc1-n1ccc([C@H]2SCC(=O)N2Cc2ccco2)c1	216677488	QGQIBLJZVSGCCX-HXUWFJFHSA-N	352.459	4.407	70	40	FIIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C=C/c1ccc2c(c1)OCO2	217930520	RHDJFNNOPQZUPY-RCMYXZNBSA-N	365.429	4.156	70	40	FIIB	
C[C@H](SCc1ccccc1)C(=O)NCCCN1CCCc2ccccc21	218076289	UZEIZVZUPFDCJU-SFHVURJKSA-N	368.546	4.267	70	40	FIIB	
Cc1ccc(SCCC(=O)NCCCN2CCCc3ccccc32)cc1	218152633	BCAPGTXDMIXETM-UHFFFAOYSA-N	368.546	4.436	70	40	FIIB	
Cc1cc(S(=O)(=O)Cl)ccc1Oc1ccc(C(F)(F)F)cn1	115350336	RTNRMJWERSFTMW-UHFFFAOYSA-N	351.733	4.129	70	40	FIIB	
CC[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1)c1ccc(OC)c(OC)c1	218689961	DDNFBWIQJVDIFP-YJBOKZPZSA-N	357.450	4.047	70	40	FIIB	
O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(OC2CCCC2)cc1	217929055	CECQFRVNJHPSQR-WUXMJOGZSA-N	351.402	4.389	70	40	FIIB	
CC[C@H](NC(=O)CCSc1ccccc1)c1ccc(OC)c(OC)c1	218083822	WWLQFNISMKLUIW-KRWDZBQOSA-N	359.491	4.454	70	40	FIIB	
COc1ccccc1/C=C/C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21	217967083	BBPHEPWVWILUKR-KSEUIEODSA-N	351.446	4.435	70	40	FIIB	
CCc1ccc(N2CCO[C@@H]2c2cn(Cc3ccccc3Cl)nn2)cc1	216768374	UZVDSCTVSQJBIE-HXUWFJFHSA-N	368.868	4.078	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1cccc(C)c1	218688763	HPNAZJWEMYKBGN-BEFAXECRSA-N	369.461	4.190	70	40	FIIB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCCc1ccc(Cl)cc1	218755160	HGFDTUNAZULPPH-IBGZPJMESA-N	361.869	4.255	70	40	FIIB	
CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)/C=C/c1ccc(F)cc1	217916062	FKCXHJKPHZOXOD-DHZHZOJOSA-N	371.799	4.201	70	40	FIIB	
CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc(OC)c(OC)c1	218689792	DDNFBWIQJVDIFP-CRAIPNDOSA-N	357.450	4.047	70	40	FIIB	
COc1ccc(OCCCC(=O)NCCCc2ccccc2Cl)cc1	218739789	BOPOMMZNNZLMPW-UHFFFAOYSA-N	361.869	4.257	70	40	FIIB	
COc1ccc(CN2CCO[C@@H]2c2ccn(-c3cccc(OC)c3)c2)cc1	216743583	UHAPSQSWWMSXOI-JOCHJYFZSA-N	364.445	4.026	70	40	FIIB	
COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(C)c(C)c2)c(OC)c1OC	218188600	FOZFTMZEHZVTPE-TYZQSYOASA-N	369.461	4.220	70	40	FIIB	
Cc1ccc(-c2nnc(C3CCN(C(=O)c4cccs4)CC3)o2)cc1	216633435	HFIJZJYGBKEUQC-UHFFFAOYSA-N	353.447	4.126	70	40	FIIB	
C[C@@](O)(CNC(=O)c1c(F)cccc1Cl)c1cc2ccccc2s1	217502066	CNMAVNUXLKOQJL-GOSISDBHSA-N	363.841	4.331	70	40	FIIB	
COc1cccc2cc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)oc12	218615886	LXDJNEADBVUQIB-HNNXBMFYSA-N	351.402	4.474	70	40	FIIB	
Cc1ccc(-c2noc(CN(C)C(=O)CCSc3ccccc3)n2)cc1	218084873	CEHCBLASTHOGBC-UHFFFAOYSA-N	367.474	4.186	70	40	FIIB	
CC(C)Oc1cccc(CCCNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1	218699548	PPEDEFWQPIKRMH-MRXNPFEDSA-N	359.441	4.129	70	40	FIIB	
COc1ccc(S(=O)(=O)Cl)cc1/C=C/C(=O)c1ccc(Cl)cc1	95698259	XIUDRDBBKUOBKX-XBXARRHUSA-N	371.241	4.172	70	40	FIIB	
C[C@@H](Sc1ccccc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1	218062583	RIQBMHIHDTYUHN-GFCCVEGCSA-N	373.865	4.187	70	40	FIIB	
COc1cc(C(=O)NCCCc2ccc(C(C)C)cc2)cc(OC)c1OC	218130422	MPAJSHBRTGAADZ-UHFFFAOYSA-N	371.477	4.198	70	40	FIIB	
COc1ccc(/C=C/C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1	217919148	HELJDNIKZJMFEC-YRVHBARZSA-N	351.446	4.435	70	40	FIIB	
COc1ccc(OCCCC(=O)NCCCc2ccc(Cl)cc2)cc1	218739844	IEAJWWWQQNAKPZ-UHFFFAOYSA-N	361.869	4.257	70	40	FIIB	
COc1ccc(CCCNC(=O)CSCc2ccc(Cl)cc2)cc1	218041912	HWNYPEHAZCPRAB-UHFFFAOYSA-N	363.910	4.331	70	40	FIIB	
O=C(NCCSCc1ccco1)/C(=C/c1ccco1)c1ccccc1	218099087	LWSHWYRBCDQDFZ-XMHGGMMESA-N	353.443	4.463	70	40	FIIB	
Cc1cccc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1	218688138	FEIQZORMAXPPQM-VQIMIIECSA-N	353.462	4.489	70	40	FIIB	
Cc1cc(C)cc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1	218694340	NSWFTIGEYRYZOY-LJQANCHMSA-N	353.462	4.409	70	40	FIIB	
O=C(CSCc1ccc(Cl)cc1)NCCCc1ccc(F)cc1	218041587	IDXROTIHKNTIMG-UHFFFAOYSA-N	351.874	4.461	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C=C/c1ccc(C)cc1	218180649	LYLSMYAAKVMSCW-VSRDTVRMSA-N	351.446	4.435	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSc1ccccc1	217973305	BTPPKCKWTHIWBY-QGZVFWFLSA-N	357.475	4.206	70	40	FIIB	
CCc1ccc(N2CCO[C@H]2c2cn(Cc3ccc(Cl)cc3)nn2)cc1	216768642	ISDQPUNVVPRBAC-FQEVSTJZSA-N	368.868	4.078	70	40	FIIB	
Cn1nc(-c2ccccc2)cc1C(=O)N1CCCC[C@@H](c2ccccc2)C1	217490737	WOJKWXKFIZZFSJ-HXUWFJFHSA-N	359.473	4.497	70	40	FIIB	
COc1ccc(CSCC(=O)NCCSC2CCCCC2)cc1	218110864	YGDDAFGOZHCHDH-UHFFFAOYSA-N	353.553	4.111	70	40	FIIB	
Cc1ccccc1OC[C@@H](C)NC(=O)CSCc1ccc(Cl)cc1	218042998	OKQWZEMALKACEJ-OAHLLOKOSA-N	363.910	4.465	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccc(F)cc1	218702841	MIZMYYOBSSLKIQ-ACJLOTCBSA-N	373.424	4.020	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(C)c(C)c1	218722571	OTDOHVINIFUEOY-LJQANCHMSA-N	369.461	4.109	70	40	FIIB	
COc1ccc2c(c1)[C@H](NC(=O)CSc1ccccc1)CC(C)(C)O2	217973108	DXCFRHMJRFWMSG-QGZVFWFLSA-N	357.475	4.206	70	40	FIIB	
COc1ccccc1CCCNC(=O)CCCOc1ccc(Cl)cc1	218735405	SSVJCFFTLSBCIL-UHFFFAOYSA-N	361.869	4.257	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C=C/c1ccc(F)cc1	217913653	PVKRNGLYCRZJDW-PMQIGOLDSA-N	355.409	4.266	70	40	FIIB	
COc1ccc(O[C@@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)cc1	218754161	XNMGNCWFHKDTBO-KRWDZBQOSA-N	355.478	4.335	70	40	FIIB	
COc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(Cl)cc1)CC(C)(C)O2	218530161	RFBGUJXZJWMVQP-KRWDZBQOSA-N	359.853	4.310	70	40	FIIB	
COc1ccc(/C=C/C(=O)N[C@@H](C)c2cc(C)ccc2C)c(OC)c1OC	218184961	SJGAPZUCBARWKA-TYZQSYOASA-N	369.461	4.220	70	40	FIIB	
COc1ccccc1Oc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(C)C1	216917897	AXYDLCXJAGVKMX-CQSZACIVSA-N	374.868	4.421	70	40	FIIB	
COc1ccc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1	218751474	FUPMVUGSMIDWER-DNVCBOLYSA-N	369.461	4.190	70	40	FIIB	
CN1CCC[C@@H](C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1	216911168	IWJNWHRMBQYVFC-GYVBGXKYSA-N	352.522	4.435	70	40	FIIB	
CCCOc1ccccc1CCCNC(=O)/C=C/c1ccccc1OC	217966256	BDWSRBSWHSFNKK-CCEZHUSRSA-N	353.462	4.246	70	40	FIIB	
CC(C)(C)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1	102141850	SSROZCKIMQQMGA-UHFFFAOYSA-N	360.437	4.398	70	40	FIIB	
COc1ccccc1Oc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(C)C1	216917918	AXYDLCXJAGVKMX-AWEZNQCLSA-N	374.868	4.421	70	40	FIIB	
CCc1ccc(-n2ccc([C@H]3SCC(=O)N3Cc3ccco3)c2)cc1	216677162	VMOXTWXLLPNEJW-HXUWFJFHSA-N	352.459	4.407	70	40	FIIB	
Cc1cccc(O[C@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)c1	218685514	NFYNXKPQPNOZIL-GOSISDBHSA-N	355.478	4.299	70	40	FIIB	
CCOc1ccccc1-n1ccc([C@H]2OCCN2c2ccccc2OC)c1	216722917	RDQSYYGUCDLOGC-JOCHJYFZSA-N	364.445	4.420	70	40	FIIB	
CN(CCCNC(=O)CCCOc1ccc(Cl)cc1)c1ccccc1	218739378	MFPMSZVIDGIXEW-UHFFFAOYSA-N	360.885	4.142	70	40	FIIB	
CC(C)(C)[Si](C)(C)O[C@H]1CC=C(OS(=O)(=O)C(F)(F)F)CC1	169955042	HOAIDAOBRMADDN-NSHDSACASA-N	360.470	4.311	70	40	FIIB	
CN1C(=O)c2ccccc2N(C)[C@H]1c1ccn(-c2ccccc2Cl)c1	216712750	HFSVTYJLCBSCLK-LJQANCHMSA-N	351.837	4.351	70	40	FIIB	
O=C(c1cc(-c2ccccc2)on1)N1CCS[C@H]1c1cccc(F)c1	217634830	VBGKAGUXCJYYSV-IBGZPJMESA-N	354.406	4.369	70	40	FIIB	
CCOc1ccc(CNC(=O)[C@H](C)Sc2ccccc2)cc1OCC	218055307	YTAWHTDDXKQNGR-HNNXBMFYSA-N	359.491	4.281	70	40	FIIB	
CC(C)Oc1ccc(CCCNC(=O)CCCOc2ccccc2)cc1	218725623	GGPRDMNBQWRTEA-UHFFFAOYSA-N	355.478	4.382	70	40	FIIB	
CCOc1ccc(CCCNC(=O)CSCc2ccc(C)cc2)cc1	218022278	DGXASOYEVFWGLF-UHFFFAOYSA-N	357.519	4.376	70	40	FIIB	
CC(C)Oc1cccc(CCCNC(=O)[C@H](C)Oc2ccc(F)cc2)c1	218699621	PPEDEFWQPIKRMH-INIZCTEOSA-N	359.441	4.129	70	40	FIIB	
COc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(Cl)cc1)CC(C)(C)O2	218530239	RFBGUJXZJWMVQP-QGZVFWFLSA-N	359.853	4.310	70	40	FIIB	
CC(C)(C)Oc1ccc2c(c1)CCC=C2OS(=O)(=O)C(F)(F)F	2362803079	CYFYKZYQDZIUPW-UHFFFAOYSA-N	350.358	4.017	70	40	FIIB	
Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Sc3ccccc3)n2)cc1	218063355	LACCOWXJYSBLMN-OAHLLOKOSA-N	367.474	4.184	70	40	FIIB	
Cc1ccccc1OC[C@H](C)NC(=O)CSCc1cccc(Cl)c1	218036704	UKDPFUQPRVFSGU-HNNXBMFYSA-N	363.910	4.465	70	40	FIIB	
CC[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1	217832955	VMBUKGWQIHIRJB-MRXNPFEDSA-N	363.841	4.004	70	40	FIIB	
C[C@@](O)(CNC(=O)CCSc1ccccc1)c1cc2ccccc2s1	217503564	GNBFUUICMJICAX-HXUWFJFHSA-N	371.527	4.407	70	40	FIIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C=C/c1ccc2c(c1)OCO2	217930440	RHDJFNNOPQZUPY-NADMHLTPSA-N	365.429	4.156	70	40	FIIB	
C[C@@H]1CCCN(C(=O)Nc2cccc3c(S(=O)(=O)Cl)cccc23)C1	110167084	LSQSTPUCADOMIH-GFCCVEGCSA-N	366.870	4.031	70	40	FIIB	
CC(C)(C)c1ccc(/C=C/C(=O)NCc2nc(-c3cccs3)no2)cc1	217955521	XMPUTJBNVIWLKK-DHZHZOJOSA-N	367.474	4.425	70	40	FIIB	
CCOc1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2)cc1OCC	217957549	AYGAEGXODPAXJG-XYOKQWHBSA-N	359.853	4.467	70	40	FIIB	
CCCCc1ccc(Nc2cc(N3CCN(C)CC3)nc(SC)n2)cc1	216852670	SJUCUVYLXSMQBD-UHFFFAOYSA-N	371.554	4.037	70	40	FIIB	
CC(C)Oc1ccc(C(=O)NC[C@@](C)(O)c2cc3ccccc3s2)cc1	217502900	PVQZVCNUEWQCBP-OAQYLSRUSA-N	369.486	4.326	70	40	FIIB	
COc1ccc2c(c1)[C@H](NC(=O)COc1cc(C)cc(C)c1)CC(C)(C)O2	218694745	PTEBCSSZQQJJKW-LJQANCHMSA-N	369.461	4.109	70	40	FIIB	
COc1ccccc1/C=C/C(=O)NCCCc1cccc(OC(C)C)c1	217965619	QGNMUUSQJUYPOF-BUHFOSPRSA-N	353.462	4.245	70	40	FIIB	
CC(C)Oc1cccc(CCCNC(=O)CSCc2ccccc2)c1	218008734	LYYUBYQEFLASPC-UHFFFAOYSA-N	357.519	4.456	70	40	FIIB	
Cc1cccc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1	218687884	VRRLHYXIAASDRU-LPHOPBHVSA-N	353.462	4.489	70	40	FIIB	
Cc1ccccc1OC[C@@H](C)NC(=O)CSCc1ccccc1Cl	218029688	WBIUVBOZUKLVND-OAHLLOKOSA-N	363.910	4.465	70	40	FIIB	
Cc1ccc(-c2nnc([C@@H]3CCCN(C(=O)c4cccs4)C3)o2)cc1	216650033	SMQQOYKHNDFZLI-OAHLLOKOSA-N	353.447	4.126	70	40	FIIB	
CCOc1ccc(-n2ccc([C@H]3OCCN3c3cccc(OC)c3)c2)cc1	216724839	NUGCLBAVRNNLMV-JOCHJYFZSA-N	364.445	4.420	70	40	FIIB	
Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(Cl)cc1)CC(C)(C)O2	217831758	RUVCFMNECFEGLJ-KRWDZBQOSA-N	359.853	4.446	70	40	FIIB	
COc1ccc2c(c1)[C@H](NC(=O)CCc1ccc(C)cc1)CC(C)(C)O2	218535557	PJDPTSDCRFXCJN-LJQANCHMSA-N	353.462	4.355	70	40	FIIB	
COc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1OC	217880115	BZJJCSHSAXISEK-MRXNPFEDSA-N	355.434	4.044	70	40	FIIB	
COc1ccc(/C=C/C(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1	217919811	XTABEFVZBRNNIC-UBIUBJKMSA-N	367.445	4.136	70	40	FIIB	
Cc1ccc(OCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1	218664173	HRXZJDORJFWOCG-KRWDZBQOSA-N	355.478	4.255	70	40	FIIB	
CCCOc1ccccc1CCCNC(=O)[C@H](C)Oc1cccc(C)c1	218686393	NOMBPIMQDFZOGH-SFHVURJKSA-N	355.478	4.300	70	40	FIIB	
COc1ccccc1CCCNC(=O)CSCc1ccc(Cl)cc1	218041697	KQPWOHHUQYEFER-UHFFFAOYSA-N	363.910	4.331	70	40	FIIB	
CCCOc1ccccc1CCCNC(=O)/C=C/c1ccc(OC)cc1	217918401	AYUQLQCIMZYCEF-NTCAYCPXSA-N	353.462	4.246	70	40	FIIB	
COc1cccc(-n2ccc([C@H]3OCCN3c3ccccc3OC)c2)c1	216721473	QTORBVCLSXIIER-OAQYLSRUSA-N	350.418	4.030	70	40	FIIB	
Cc1nnsc1C(=O)N1CCS[C@H]1c1ccc(Cl)c(Cl)c1	217641340	BAYKLAPTPPYFAU-ZDUSSCGKSA-N	360.291	4.041	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1ccc(C)cc1	218535751	LSUXOTUNDDPSGM-LJQANCHMSA-N	353.462	4.355	70	40	FIIB	
CC(C)Oc1cccc(CCCNC(=O)CCCOc2ccccc2)c1	218725526	ZOUJOSLLTLODKY-UHFFFAOYSA-N	355.478	4.382	70	40	FIIB	
COc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccc(F)cc3)c2)cc1	216743476	HGYMXFCBWACNRB-OAQYLSRUSA-N	352.409	4.156	70	40	FIIB	
Cc1cccc(CSCCNC(=O)c2ccccc2Br)c1	218220006	WKGORRNOCNBWDH-UHFFFAOYSA-N	364.308	4.421	70	40	FIIB	
CCOc1cccc(-n2ccc([C@@H]3OCCN3c3ccccc3OC)c2)c1	216722983	YYLGOITZEMOFKQ-QFIPXVFZSA-N	364.445	4.420	70	40	FIIB	
COc1ccccc1Oc1ccc(Cl)cc1NC(=O)C1CCN(C)CC1	216924205	IGTDTHWIBDITTB-UHFFFAOYSA-N	374.868	4.421	70	40	FIIB	
CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(OC)cc1	218750256	UJENYYKFAHPPKZ-QGZVFWFLSA-N	371.477	4.000	70	40	FIIB	
CC[C@@H](NC(=O)CCCOc1ccccc1)c1ccc(OC)c(OC)c1	218728055	HRTXFWZPJKCJJL-GOSISDBHSA-N	357.450	4.130	70	40	FIIB	
COc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccccc1OC)CC(C)(C)O2	217967433	IXPDTDURQLCTML-ZPHJMFTNSA-N	367.445	4.136	70	40	FIIB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCN(C)c1ccccc1	217996529	UYTCDWOUTLFQKX-OAHLLOKOSA-N	362.926	4.463	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccccc1	218010771	MVOKHZCCQZNOQD-SFHVURJKSA-N	371.502	4.347	70	40	FIIB	
Cc1ccc(OCC(=O)NCCCc2cccc(OC(C)C)c2)cc1C	218720659	QURMJDAQTPMHOC-UHFFFAOYSA-N	355.478	4.218	70	40	FIIB	
O=C(NCC[C@H](O)c1ccsc1)C1(c2ccc(Cl)cc2)CCCC1	217532993	FTMWSNWVCRSXCO-KRWDZBQOSA-N	363.910	4.453	70	40	FIIB	
Cc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccc3c(c1)OCO3)CC(C)(C)O2	217930255	QHIAFBQKWFDAHX-NADMHLTPSA-N	365.429	4.156	70	40	FIIB	
C[C@@](O)(CNC(=O)c1ccccc1C(F)(F)F)c1cc2ccccc2o1	217989720	ZFHQIMZBRYECKW-GOSISDBHSA-N	363.335	4.089	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1SC	218193384	OAUWGXQNDZVKOU-MRXNPFEDSA-N	357.475	4.449	70	40	FIIB	
CCSc1ccccc1C(=O)N1CCC2(CC1)OC(=O)c1ccccc12	217515933	RKDKCUBALCNCHN-UHFFFAOYSA-N	367.470	4.101	70	40	FIIB	
CCOc1ccc(CNC(=O)CCSc2ccccc2)cc1OCC	218079234	UEUCXWBXJJUNHY-UHFFFAOYSA-N	359.491	4.283	70	40	FIIB	
O=C(NCCSC1CCOCC1)C1(c2ccc(Cl)cc2)CCCC1	217702638	VWOMZADXGKRZFY-UHFFFAOYSA-N	367.942	4.180	70	40	FIIB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCN(C)c1ccccc1	217996602	UYTCDWOUTLFQKX-HNNXBMFYSA-N	362.926	4.463	70	40	FIIB	
COc1cccc2cc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)oc12	218615810	LXDJNEADBVUQIB-OAHLLOKOSA-N	351.402	4.474	70	40	FIIB	
O=S(=O)(NCC1(c2ccsc2)CCCC1)c1cccc2cccnc12	217583215	XHPAJIWRBRMZRF-UHFFFAOYSA-N	372.515	4.087	70	40	FIIB	
O=C(/C(=C/c1ccco1)c1ccccc1)N1CCN(c2ccccc2)CC1	218094439	YTYSPMROUNQVDV-RELWKKBWSA-N	358.441	4.169	70	40	FIIB	
C[C@@H](SCc1ccccc1)C(=O)NCCCN1CCCc2ccccc21	218076201	UZEIZVZUPFDCJU-GOSISDBHSA-N	368.546	4.267	70	40	FIIB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccn2nccc2c1	217958152	YMMGLUKZQZAHHX-JTQLQIEISA-N	350.205	4.047	70	40	FIIB	
COc1ccc(/C=C/C(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1	217919738	XTABEFVZBRNNIC-LKQLOZHYSA-N	367.445	4.136	70	40	FIIB	
COc1ccc(/C=C/C(=O)NCCCc2cccc(OC(C)C)c2)cc1	217917759	VWFIKXMEQAFYGE-SDNWHVSQSA-N	353.462	4.245	70	40	FIIB	
COc1cccc([C@@H]2SCCN2C(=O)c2cc(-c3ccccc3)on2)c1	217637793	QCDSCAVXWFECGZ-FQEVSTJZSA-N	366.442	4.238	70	40	FIIB	
COc1ccc(O[C@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)cc1	218754214	XNMGNCWFHKDTBO-QGZVFWFLSA-N	355.478	4.335	70	40	FIIB	
O=C(COc1ccc(Cl)cc1Cl)NCCCc1ccc(F)cc1	217834678	ACCTVGDGGUMYJX-UHFFFAOYSA-N	356.224	4.260	70	40	FIIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(C)c(C)c1	218722210	YUAQBCQUEJDKSH-LJQANCHMSA-N	353.462	4.409	70	40	FIIB	
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCN(C)c1ccccc1	218664787	LQJZYFHACGJLMA-KRWDZBQOSA-N	354.494	4.004	70	40	FIIB	
C[C@](O)(CNC(=O)NCc1ccc(Cl)cc1)c1cc2ccccc2s1	217522982	IAZNWYGHMWILHQ-IBGZPJMESA-N	374.893	4.262	70	40	FIIB	
O=S(=O)(Cl)c1c(Cl)cc(Br)cc1C(F)(F)F	1772718379	KIAIPHWHLUYMAQ-UHFFFAOYSA-N	357.962	4.049	70	40	FIIB	
CC(C)(C)[Si](C)(C)O[C@@H]1CC=C(OS(=O)(=O)C(F)(F)F)CC1	169955045	HOAIDAOBRMADDN-LLVKDONJSA-N	360.470	4.311	70	40	FIIB	
O=C1CS[C@H](c2ccn(-c3ccccc3Cl)c2)N1Cc1ccco1	216675825	YCOMXTWIXZNJEW-GOSISDBHSA-N	358.850	4.498	70	40	FIIB	
Cc1cc(C)cc(OCC(=O)NCCCc2cccc(OC(C)C)c2)c1	218692896	CRSLXZHARCPKNF-UHFFFAOYSA-N	355.478	4.218	70	40	FIIB	
Cc1cccc(-c2noc(CNC(=O)CSc3ccc(Cl)cc3)n2)c1	217983749	NIQHWKCVSODFMJ-UHFFFAOYSA-N	373.865	4.107	70	40	FIIB	
CN(CCCNC(=O)CSCc1cccc(Cl)c1)c1ccccc1	218040854	MRVLSLNSNIGDED-UHFFFAOYSA-N	362.926	4.216	70	40	FIIB	
Cc1ccc(/C=C/C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1	218181978	CRSNFMFPZODPCK-IZZDOVSWSA-N	353.809	4.028	70	40	FIIB	
CCN(Cc1nc(-c2cccs2)no1)C(=O)Cc1ccc(Cl)cc1	218531934	QQVNSJIYTCPTOY-UHFFFAOYSA-N	361.854	4.043	70	40	FIIB	
CC[C@@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1	95698294	UMAWSMDPOSPKRW-LLVKDONJSA-N	365.282	4.064	70	40	FIIB	
O=C(c1cc(-c2ccccc2)on1)N1CCS[C@@H]1c1cccc(F)c1	217634752	VBGKAGUXCJYYSV-LJQANCHMSA-N	354.406	4.369	70	40	FIIB	
Cc1nn(C)c(C)c1C(=O)N1CCS[C@H]1c1ccc(Cl)c(Cl)c1	217646924	DYZHPWFHHPPAIO-INIZCTEOSA-N	370.305	4.232	70	40	FIIB	
Cc1nc(NC(=O)c2csc(-c3ccccc3F)n2)cc(C2CC2)n1	160309427	YZIKCMOZIIAGMV-UHFFFAOYSA-N	354.410	4.177	70	40	FIIB	
Cc1ccc(OC[C@H](C)NC(=O)CSCc2ccc(Cl)cc2)cc1	218043256	NMGULZKEZXUZTA-HNNXBMFYSA-N	363.910	4.465	70	40	FIIB	
Cc1ccc(CCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1	218537323	LBTDQWJCZIWPSE-UHFFFAOYSA-N	369.852	4.290	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccc(F)cc1	218702901	MIZMYYOBSSLKIQ-FZKQIMNGSA-N	373.424	4.020	70	40	FIIB	
CCCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc(F)cc1	218700514	QTOQAUUVRUXYRB-INIZCTEOSA-N	359.441	4.131	70	40	FIIB	
Cc1ccc(-c2nnc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)o2)cc1	216649812	DUAJSPOCLALWRW-QGZVFWFLSA-N	365.408	4.204	70	40	FIIB	
Cc1ccccc1OC[C@@H](C)NC(=O)CSCc1cccc(Cl)c1	218036607	UKDPFUQPRVFSGU-OAHLLOKOSA-N	363.910	4.465	70	40	FIIB	
Cc1ccc(OC[C@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1	218036892	GFWPAUXTAWFZAZ-HNNXBMFYSA-N	363.910	4.465	70	40	FIIB	
COc1cc(CNC(=O)[C@@H](C)Sc2ccccc2)ccc1OC(C)C	218055389	OZIKXCDYEGEBJY-OAHLLOKOSA-N	359.491	4.279	70	40	FIIB	
CCOc1ccc(-c2noc(C3CCCCC3)n2)cc1S(=O)(=O)Cl	59826098	DAZLTSWBGWQHIR-UHFFFAOYSA-N	370.858	4.111	70	40	FIIB	
COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1	218136945	HIBWKYNSUSWKET-HZPDHXFCSA-N	359.491	4.068	70	40	FIIB	
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN(C)c1ccccc1	218672590	QPTOXWAMOQUFFC-SFHVURJKSA-N	368.521	4.394	70	40	FIIB	
Cc1cccc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1	218688077	FEIQZORMAXPPQM-QFBILLFUSA-N	353.462	4.489	70	40	FIIB	
O=C1CS[C@@H](c2ccn(-c3cccc(F)c3)c2)N1Cc1ccccc1	216674987	MQOHFDMBERHYMX-FQEVSTJZSA-N	352.434	4.391	70	40	FIIB	
O=C(CSCc1ccccc1Cl)NCCCc1ccc(F)cc1	218028008	CTRRYTYLYXHVOD-UHFFFAOYSA-N	351.874	4.461	70	40	FIIB	
CCc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(Cl)c3)nn2)cc1	216768489	IQBHYVXBDRTDML-HXUWFJFHSA-N	368.868	4.078	70	40	FIIB	
CCOC(=O)c1c(C)n(CCOC)c2ccc(OCc3ccccc3)cc12	217767031	RCWQXGXSULILRF-UHFFFAOYSA-N	367.445	4.352	70	40	FIIB	
CN(CCCNC(=O)CCSc1ccc(Cl)cc1)c1ccccc1	218092362	BCDXOGXGUYDCAN-UHFFFAOYSA-N	362.926	4.465	70	40	FIIB	
COc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc(C)cc1)CC(C)(C)O2	218535478	PJDPTSDCRFXCJN-IBGZPJMESA-N	353.462	4.355	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C=C/c1ccc(C)cc1	218180574	LYLSMYAAKVMSCW-DLENHJPASA-N	351.446	4.435	70	40	FIIB	
C[C@@H](Sc1ccccc1)C(=O)NCCCN1CCCc2ccccc21	218064416	IZVQJACRKVMHHU-QGZVFWFLSA-N	354.519	4.126	70	40	FIIB	
COc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccc(C)cc1)CC(C)(C)O2	218180388	CGPQUCRQYYHPMJ-DLENHJPASA-N	351.446	4.435	70	40	FIIB	
CC[C@H](C(=O)NCCn1nc(-c2cccs2)cc1C)c1ccccc1	217873535	LKBBOULHYBUJFE-KRWDZBQOSA-N	353.491	4.230	70	40	FIIB	
COC(=O)c1c(C)n(C(=O)COc2cc(C)cc(C)c2)c2ccccc12	218739133	TWIUIVXBTXRZHW-UHFFFAOYSA-N	351.402	4.072	70	40	FIIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCCOc1ccccc1	218727379	RTUPXAQSRJJNEU-IBGZPJMESA-N	369.461	4.273	70	40	FIIB	
Cc1noc(-c2ccsc2NC(=O)c2ccc(C(F)(F)F)cc2)n1	217648231	JYGYGQOMBMBZJS-UHFFFAOYSA-N	353.325	4.378	70	40	FIIB	
Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Sc3ccccc3)n2)c1	218063264	VKOFTDFXEYBXAN-HNNXBMFYSA-N	367.474	4.184	70	40	FIIB	
Cc1ccc(S[C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1	218144492	PPLSFYRLWZYNDR-HNNXBMFYSA-N	367.474	4.184	70	40	FIIB	
CC(C)Oc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1	218699771	RWDHFINLSMKDJE-INIZCTEOSA-N	359.441	4.129	70	40	FIIB	
CCOc1ccccc1-n1ccc([C@@H]2OCCN2c2cccc(OC)c2)c1	216725593	WEIRAMITGDHZDL-QFIPXVFZSA-N	364.445	4.420	70	40	FIIB	
CCc1ccc(OCC(=O)n2c(C)c(C(=O)OC)c3ccccc32)cc1	216722811	CQSSEIGAQHYBFS-UHFFFAOYSA-N	351.402	4.018	70	40	FIIB	
Cc1cc(-c2cccs2)nn1CCNC(=O)Nc1cccc(Cl)c1	217875642	XOHJQSWOTKTIDH-UHFFFAOYSA-N	360.870	4.395	70	40	FIIB	
COc1ccc(CN2CCO[C@@H]2c2ccn(-c3cccc(F)c3)c2)cc1	216744919	OPDDGGKPCRRKGY-OAQYLSRUSA-N	352.409	4.156	70	40	FIIB	
COc1ccccc1N1CCO[C@@H]1c1ccn(-c2ccccc2OC)c1	216721927	ULTZKPUSBXWXMG-OAQYLSRUSA-N	350.418	4.030	70	40	FIIB	
CC(C)Oc1ccc(C(=O)NC[C@](C)(O)c2cc3ccccc3s2)cc1	217502816	PVQZVCNUEWQCBP-NRFANRHFSA-N	369.486	4.326	70	40	FIIB	
O=C(c1cc2ccccc2s1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217816467	QBGUFAWPTZDFDG-ZDUSSCGKSA-N	367.474	4.257	70	40	FIIB	
COc1cccc(N2CCO[C@H]2c2ccn(-c3ccccc3OC)c2)c1	216724612	GLSNHCKBJSNEHE-NRFANRHFSA-N	350.418	4.030	70	40	FIIB	
CC[C@@H](NC(=O)c1cc2cccc(OC)c2o1)c1ccc(OC)c(OC)c1	218618180	FRISVFIHDNMSGT-OAHLLOKOSA-N	369.417	4.340	70	40	FIIB	
Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)CC(C)(C)O2	218701904	ZKAPDBZYNIXNAT-RDTXWAMCSA-N	357.425	4.320	70	40	FIIB	
CC(C)Oc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1	218699710	RWDHFINLSMKDJE-MRXNPFEDSA-N	359.441	4.129	70	40	FIIB	
CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1cccc(Cl)c1	217854393	MZAXXBIAQPHXEZ-UHFFFAOYSA-N	362.216	4.316	70	40	FIIB	
CCOc1ccc(CCCNC(=O)[C@@H](C)SCc2ccccc2)cc1	218068388	NVICLYRRYMGNRW-QGZVFWFLSA-N	357.519	4.456	70	40	FIIB	
Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)CC(C)(C)O2	218702070	ZKAPDBZYNIXNAT-KBXCAEBGSA-N	357.425	4.320	70	40	FIIB	
O=C(NCC[C@@H](O)c1ccsc1)C1(c2ccc(Cl)cc2)CCCC1	217533083	FTMWSNWVCRSXCO-QGZVFWFLSA-N	363.910	4.453	70	40	FIIB	
COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)CC(C)(C)O2	218702586	OOUOUQYJRWFGGN-FZKQIMNGSA-N	373.424	4.020	70	40	FIIB	
O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nnc(-c3ccccc3F)o2)C1	216645347	IFIWNUQOYCNHSO-CQSZACIVSA-N	369.371	4.035	70	40	FIIB	
COc1ccccc1/C=C/C(=O)NCCCc1ccc(OC(C)C)cc1	217965739	OZZPRUJTNPGHKL-NTCAYCPXSA-N	353.462	4.245	70	40	FIIB	
Cc1cccc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1	218687804	VRRLHYXIAASDRU-VQIMIIECSA-N	353.462	4.489	70	40	FIIB