smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1cccc([C@H]2SCCN2S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c1	217646639	VPQIEVGXHIMOIK-HXUWFJFHSA-N	416.524	4.095	70	40	HIIB	
CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)c1ccc(C)c(C)c1	218623869	VPLQEEZQJLDMDH-JOCHJYFZSA-N	414.571	4.277	70	40	HIIB	
O=C(Cc1ccc(F)cc1)N1CCC(N2CCC[C@H]2COCc2ccccc2)CC1	217596321	MGZAKPRBUNCLOH-DEOSSOPVSA-N	410.533	4.040	70	40	HIIB	
O=C(/C=C/c1ccc(Cl)cc1)NCc1nc(-c2cccc(Br)c2)no1	217961978	ODLFKSCCQCVUSI-RMKNXTFCSA-N	418.678	4.482	70	40	HIIB	
O=C(COc1ccc(Cl)cc1Cl)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217809035	MPPNYOZSBUWFMQ-GFCCVEGCSA-N	410.301	4.114	70	40	HIIB	
CC[C@H](NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(C)cc1C	218379590	XPRQRDDJLXNZPR-KNQAVFIVSA-N	416.587	4.342	70	40	HIIB	
CC[C@H](NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1	218360590	PZIZSNQHLPGPMF-RXVVDRJESA-N	402.560	4.034	70	40	HIIB	
Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1C	218635382	NQTFQTCEUCKEAV-MRXNPFEDSA-N	420.962	4.232	70	40	HIIB	
COc1ccc(CSCC(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1	218115827	MRBKGEMEUAJWJB-LJQANCHMSA-N	401.528	4.356	70	40	HIIB	
Cn1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1C1CC1	217901616	UZLNMXUZLBXPSC-UHFFFAOYSA-N	411.930	4.224	70	40	HIIB	
COc1ccc(CSCC(=O)Nc2ccc(I)cc2)cc1	218110324	JPMOCSVAWHNXLF-UHFFFAOYSA-N	413.280	4.172	70	40	HIIB	
COc1ccc(/C=C/C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c(OC)c1OC	218187978	GIMFWYVNWFTTRU-PEKVBPLLSA-N	411.498	4.453	70	40	HIIB	
Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cc1	218357498	HNWVECSCEJWNIF-KRWDZBQOSA-N	416.543	4.110	70	40	HIIB	
CC[C@H](NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)cc1C	218550653	PPKBSPJTIZTURX-FPOVZHCZSA-N	416.587	4.342	70	40	HIIB	
CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1OC)c1ccc(OC)c(OC)c1	218189212	LAAYAXAJORWLAH-JIIJFUIFSA-N	415.486	4.010	70	40	HIIB	
O=S(=O)(Nc1ccsc1-c1nc(C2CC2)no1)c1cccc(C(F)(F)F)c1	217286877	FSPMXQJSHKGKMO-UHFFFAOYSA-N	415.418	4.495	70	40	HIIB	
COc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)n2)c1	218671474	OHAZLXQPCXNPJD-INIZCTEOSA-N	423.513	4.469	70	40	HIIB	
O=C(Nc1cccc(C(F)(F)F)c1)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1	218290009	LXFAFBFXWSNWLT-MRXNPFEDSA-N	418.375	4.386	70	40	HIIB	
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)cc1	218388435	CTRVIVGFMJGYES-QGZVFWFLSA-N	424.522	4.011	70	40	HIIB	
COc1ccc(CNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c(OC)c1OC	218708659	SQZHILSPUUGRMR-AWEZNQCLSA-N	407.894	4.066	70	40	HIIB	
COc1ccc([C@H](O)CNC(=O)CC(c2ccccc2)c2ccccc2)cc1OC	217495822	JWPRXVBEWNWVEB-JOCHJYFZSA-N	405.494	4.076	70	40	HIIB	
CC[C@H](NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1	218386378	XCJHTMIMYXCKHD-JXFKEZNVSA-N	422.978	4.379	70	40	HIIB	
COc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)c1	218717000	OHZDNSCFTUJFSF-AWEZNQCLSA-N	415.877	4.099	70	40	HIIB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1	218760992	DJCFPJAZMUIQSA-SFHVURJKSA-N	415.877	4.215	70	40	HIIB	
CCNc1cc(=N)n(CC)c2[nH]nc(N=C=Nc3cc(Cl)cc(Cl)c3O)c12	17126920	WOTBIIIZNZBYOK-UHFFFAOYSA-N	406.277	4.445	70	40	HIIB	
O=C1CS[C@H](c2cn(Cc3cccc(C(F)(F)F)c3)nn2)N1Cc1ccccc1	216682506	WGMQULUTMRSIII-LJQANCHMSA-N	418.444	4.119	70	40	HIIB	
Cc1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1S(=O)(=O)N1CCCCC1	218504208	IYUHSDUZBPYHJS-UHFFFAOYSA-N	416.543	4.209	70	40	HIIB	
Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1C	218635457	NQTFQTCEUCKEAV-INIZCTEOSA-N	420.962	4.232	70	40	HIIB	
Cc1ccccc1-c1noc(C[C@H]2CCCN(S(=O)(=O)/C=C/c3ccccc3)C2)n1	217835238	ZWUFXKFAJPLSTH-UPTIQUDWSA-N	423.538	4.300	70	40	HIIB	
Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)NCc3ccc(F)cc3)C2)n1	217833511	WNQKVQDSFPNVTD-SFHVURJKSA-N	408.477	4.348	70	40	HIIB	
Cc1cc(S(=O)(=O)NC[C@@](C)(O)c2cc3ccccc3o2)c(Cl)cc1Cl	217999319	VDWULJDXGBMHIP-GOSISDBHSA-N	414.310	4.234	70	40	HIIB	
Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1C	218524586	FKQUYOWGHDKNON-MRXNPFEDSA-N	420.962	4.232	70	40	HIIB	
Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C	218555391	UCDCGICGVAKNLJ-SJORKVTESA-N	422.978	4.297	70	40	HIIB	
CC[C@H](NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1	218360439	PZIZSNQHLPGPMF-NQIIRXRSSA-N	402.560	4.034	70	40	HIIB	
CC[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1	217993769	URBWXSJNTAKZEU-UGSOOPFHSA-N	411.976	4.492	70	40	HIIB	
CC(C)Oc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1	218522920	ZITPEMPDADXPCL-UHFFFAOYSA-N	422.934	4.164	70	40	HIIB	
COc1ccc(CNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c(OC)c1OC	218662224	HETXDYMSEPBEOM-HNNXBMFYSA-N	401.503	4.094	70	40	HIIB	
COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c(OC)c1OC	218662146	HETXDYMSEPBEOM-OAHLLOKOSA-N	401.503	4.094	70	40	HIIB	
COc1cc(CNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc(OC)c1OC	218711580	KXMOGKBDYLUYPI-CQSZACIVSA-N	407.894	4.066	70	40	HIIB	
O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccccc1C(=O)N1CCCCC1	218315109	FWQBTHZSDWSLLV-UHFFFAOYSA-N	413.477	4.065	70	40	HIIB	
CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	217026002	MJDSVAXHKRWUIQ-OAQYLSRUSA-N	416.949	4.287	70	40	HIIB	
CC[C@@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(OC)c(OC)c1	218319751	SNFPXPGOTYYLMM-GOSISDBHSA-N	404.466	4.085	70	40	HIIB	
Cc1ccc(N([C@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1	218363846	PHECELUSKKXXRI-LJQANCHMSA-N	416.587	4.022	70	40	HIIB	
CC[C@@H](NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1	218550242	QRGZMFIBWMKVOX-PZJWPPBQSA-N	416.587	4.342	70	40	HIIB	
COc1ccc(OC[C@@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1	218195813	CUFMXWPQXSWTIL-CQSZACIVSA-N	424.360	4.275	70	40	HIIB	
CCc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(Br)c3)nn2)cc1	216769586	ZYUKXDJVTQVBLL-HXUWFJFHSA-N	413.319	4.187	70	40	HIIB	
COc1ccc(CCCNC(=O)CSCc2ccc(Br)cc2)cc1	218195719	YGLGIVGGGIHXQY-UHFFFAOYSA-N	408.361	4.440	70	40	HIIB	
CC[C@H](NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1	218745635	UOZPWZWVDLWTGP-NRFANRHFSA-N	420.550	4.256	70	40	HIIB	
Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1	218504594	HNZQRPYFVCSBDA-IBGZPJMESA-N	414.571	4.277	70	40	HIIB	
O=[N+]([O-])c1ccc(OCCCOc2ccc(S(=O)(=O)Cl)cc2)c(Cl)c1	104115160	DBLAUFQLUSTOQJ-UHFFFAOYSA-N	406.243	4.024	70	40	HIIB	
CC[C@H](NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	218370409	UFGNZIHACYJBTL-UGKGYDQZSA-N	416.587	4.342	70	40	HIIB	
CN1CCC(Oc2ccc(CNC(=O)CSCc3ccc(Cl)cc3)cc2)CC1	216929037	FAQNWRCQMMBANP-UHFFFAOYSA-N	418.990	4.363	70	40	HIIB	
CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)Cc1ccc(Cl)cc1	218531835	DHRHUCCLUPXBFM-UHFFFAOYSA-N	420.694	4.354	70	40	HIIB	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-c1cn2ccsc2n1	218568760	WTNKIUQLQLNFOV-KRWDZBQOSA-N	412.515	4.401	70	40	HIIB	
Cc1ccc(SCC(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1	217979096	RWLNYXHDQRGYLY-UHFFFAOYSA-N	418.316	4.216	70	40	HIIB	
CCN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1ccc(OC)cc1	218118577	LPIKWCFYBORYJD-UHFFFAOYSA-N	403.529	4.089	70	40	HIIB	
COc1ccc(CSCC(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1	218115894	MRBKGEMEUAJWJB-IBGZPJMESA-N	401.528	4.356	70	40	HIIB	
CC[C@H](NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1	218550176	QRGZMFIBWMKVOX-CTNGQTDRSA-N	416.587	4.342	70	40	HIIB	
O=C(CCc1cccc(Cl)c1)Nc1ccccc1Cc1nc(-c2cnccn2)no1	217489772	QBYOWCZCIOLBPR-UHFFFAOYSA-N	419.872	4.342	70	40	HIIB	
COc1ccc(-c2noc(CNC(=O)/C(=C/c3ccco3)c3ccccc3)n2)cc1	218107015	XEPRBAQPXKPCAX-XSFVSMFZSA-N	401.422	4.195	70	40	HIIB	
COC1CCN(C2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)CC1	217760521	BCEFDONZHQNBDL-UHFFFAOYSA-N	406.526	4.026	70	40	HIIB	
Cc1ccc(C)c(N(CCCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1	218747832	XHRXLZNVRITLHC-FQEVSTJZSA-N	416.587	4.344	70	40	HIIB	
Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O	218467357	BSNOJOAWKPLXRX-GFCCVEGCSA-N	401.315	4.095	70	40	HIIB	
CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)c1ccc(C)cc1C	218624118	AJXZTSCAUSZNIP-QFIPXVFZSA-N	414.571	4.277	70	40	HIIB	
Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3cc(-c4ccco4)on3)C2)n1	217825781	JUWBXTGUZWIUIE-INIZCTEOSA-N	418.453	4.388	70	40	HIIB	
CC[C@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc(S(C)(=O)=O)cc1	218716470	IDZXVOHDLBJYDG-KXBFYZLASA-N	423.962	4.395	70	40	HIIB	
COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)n2)cc1	218670308	WUQFHJWOCXPDEG-OAHLLOKOSA-N	409.486	4.126	70	40	HIIB	
COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)n2)cc1	218670375	WUQFHJWOCXPDEG-HNNXBMFYSA-N	409.486	4.126	70	40	HIIB	
O=C1CS[C@@H](c2cn(Cc3cccc(C(F)(F)F)c3)nn2)N1Cc1ccccc1	216682460	WGMQULUTMRSIII-IBGZPJMESA-N	418.444	4.119	70	40	HIIB	
CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	217028229	LOROWPWXULRCJE-QHCPKHFHSA-N	410.558	4.250	70	40	HIIB	
CC(C)Oc1ccc(CCCNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1	218317058	GBRXCCURZVDBJF-UHFFFAOYSA-N	402.494	4.336	70	40	HIIB	
O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc(CN2CCCCC2)cc1	218613010	NKMZWRHZLJBIIM-UHFFFAOYSA-N	410.905	4.306	70	40	HIIB	
CC[C@H](NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1	218386230	XCJHTMIMYXCKHD-UZLBHIALSA-N	422.978	4.379	70	40	HIIB	
COc1ccc(-c2noc(CNC(=O)CCSc3ccc(Cl)cc3)n2)cc1	218090745	REZDOJMQMRSCMY-UHFFFAOYSA-N	403.891	4.197	70	40	HIIB	
Cc1cc(C)cc(CSCC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c1	216928685	ZDDUZJIWLHOXFW-UHFFFAOYSA-N	412.599	4.326	70	40	HIIB	
CC[C@@H](NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	218379330	BNEWLNSDXHPAFH-SIKLNZKXSA-N	416.587	4.342	70	40	HIIB	
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(O)cc1O	102479408	HXDDFHTUYHHXDE-UHFFFAOYSA-N	412.425	4.077	70	40	HIIB	
CCc1ccc(N2CCO[C@H]2c2cn(Cc3cccc(Br)c3)nn2)cc1	216769622	ZYUKXDJVTQVBLL-FQEVSTJZSA-N	413.319	4.187	70	40	HIIB	
CC[C@@H](NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(C)cc1C	218379515	XPRQRDDJLXNZPR-DENIHFKCSA-N	416.587	4.342	70	40	HIIB	
COc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)n2)c1	218670201	JGGBFBYLOXNQOP-HNNXBMFYSA-N	409.486	4.126	70	40	HIIB	
CN(C)c1ccc(C(=O)N2CCC[C@@H](Cc3nc(-c4ccccc4F)no3)C2)cc1	217799166	UEJXDOKSHJDFSJ-INIZCTEOSA-N	408.477	4.037	70	40	HIIB	
CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	217028188	LOROWPWXULRCJE-HSZRJFAPSA-N	410.558	4.250	70	40	HIIB	
Cn1nc(-c2ccc(F)cc2)cc1C(=O)N(Cc1nn(C)c2c1CCC2)C1CCCC1	217911633	PFSLCTWNBZOCHV-UHFFFAOYSA-N	421.520	4.033	70	40	HIIB	
O=C1C[C@H](N2Cc3[nH]c4ccccc4c3[C@@H](c3ccccc3)C2)C(=O)N1c1ccccc1	217820531	OYMXKRWBPZMFCD-QPPBQGQZSA-N	421.500	4.448	70	40	HIIB	
Cn1cc(CC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@H]32)c2ccccc21	218050055	CIXNLLJRNOWTJA-OXPRRSNCSA-N	403.570	4.142	70	40	HIIB	
O=C(c1cnc2ccc(F)cc2c1O)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@@H]21	218044668	GGGUEYCQLIHTKW-VQDLLJBESA-N	421.516	4.115	70	40	HIIB	
COc1ccc(CN(C)C(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1	218413188	CVYWDAVYMBCRJC-UHFFFAOYSA-N	424.522	4.077	70	40	HIIB	
Cc1cc(OCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc(C)c1Cl	217010920	QQWGVLKWFPASLW-UHFFFAOYSA-N	402.922	4.447	70	40	HIIB	
COc1ccc2c(c1)[C@H](NC(=O)CN1C(=O)c3cccc4cccc1c34)CC(C)(C)O2	218319019	BEBQBRSOZGGHRV-LJQANCHMSA-N	416.477	4.227	70	40	HIIB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)N(CC)Cc1nc(-c2cccs2)no1	218761207	AGTVZGUFRSETLP-INIZCTEOSA-N	401.488	4.013	70	40	HIIB	
COc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)n2)c1	218671392	OHAZLXQPCXNPJD-MRXNPFEDSA-N	423.513	4.469	70	40	HIIB	
Cc1cc(Cl)ccc1NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O	218467429	BSNOJOAWKPLXRX-LBPRGKRZSA-N	401.315	4.095	70	40	HIIB	
COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1c(C)cc(C)cc1C)S(C)(=O)=O	218483372	AOYVRDKJNJEECH-HNNXBMFYSA-N	424.950	4.067	70	40	HIIB	
O=C1O[C@@]2(CCCN(C(=O)c3cc(Br)ccc3Cl)C2)c2ccccc21	217589015	XCKJVGDAQQWWAB-LJQANCHMSA-N	420.690	4.404	70	40	HIIB	
Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)NCc3ccc(F)cc3)C2)n1	217833565	WNQKVQDSFPNVTD-GOSISDBHSA-N	408.477	4.348	70	40	HIIB	
COc1cc(CNC(=O)CSCc2c(F)cccc2Cl)cc(OC)c1OC	218202148	SOHPZVJVTRHXDI-UHFFFAOYSA-N	413.898	4.055	70	40	HIIB	
CC[C@@H](NC(=O)CSCc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1	218031916	IXNBZVZQQPKGMQ-GOSISDBHSA-N	411.976	4.244	70	40	HIIB	
O=C(c1ccc(F)c(F)c1F)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1	217801942	VWSAXVLTQRKSSH-LBPRGKRZSA-N	419.378	4.388	70	40	HIIB	
CN1CCC(Oc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1	216925234	SYNOHRMUULBGPW-UHFFFAOYSA-N	409.313	4.484	70	40	HIIB	
CN1CCC(Oc2ccc(CNC(=O)CSc3ccc(Cl)cc3)cc2)CC1	216927959	BGEAARORWYUCEL-UHFFFAOYSA-N	404.963	4.222	70	40	HIIB	
O=C(CCc1ccc(C(F)(F)F)cc1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1	217659658	AMKOIPKPKKNPAB-IBGZPJMESA-N	414.431	4.370	70	40	HIIB	
O=C(COc1ccc(Cl)cc1Cl)NCc1nc(-c2ccc(Cl)cc2)no1	217838448	RHJWJYLPYFCUAX-UHFFFAOYSA-N	412.660	4.392	70	40	HIIB	
CN1CCC(Oc2ccc(CNC(=O)CSCc3cccc(Cl)c3)cc2)CC1	216928947	NUVPFJKXZVOYFZ-UHFFFAOYSA-N	418.990	4.363	70	40	HIIB	
Cc1ccccc1OCC(=O)N1CCC(N2CCC[C@H]2COCc2ccccc2)CC1	217597009	XZKGJRNZKKPFIV-DEOSSOPVSA-N	422.569	4.046	70	40	HIIB	
COc1ccc(CCCNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC	218712477	RQFANCINUQQWBT-INIZCTEOSA-N	405.922	4.490	70	40	HIIB	
Cc1ccc([C@@H](C)NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1C	218560004	JIIFBJAFCAFFBH-HXUWFJFHSA-N	416.587	4.344	70	40	HIIB	
O=S(=O)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	104199135	DVRQSALCLMEVIH-UHFFFAOYSA-N	418.558	4.251	70	40	HIIB	
CCCOc1ccccc1CCCNC(=O)/C=C/c1ccc(OC)c(OC)c1OC	218186974	LKVPXUCPWCRARH-FYWRMAATSA-N	413.514	4.263	70	40	HIIB	
CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	217035353	HRYOYKIJWIJDAJ-QFIPXVFZSA-N	416.949	4.287	70	40	HIIB	
CC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1OC)c1ccc(OC)c(OC)c1	218189312	LAAYAXAJORWLAH-RTGRKSDTSA-N	415.486	4.010	70	40	HIIB	
CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)c1ccc(C)c(C)c1	218623951	VPLQEEZQJLDMDH-QFIPXVFZSA-N	414.571	4.277	70	40	HIIB	
O=C(c1cccc2ccccc12)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1	217435880	DZQPTQGGGBCTBN-UHFFFAOYSA-N	415.537	4.383	70	40	HIIB	
CC[C@@H](NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1C	218478261	DSURWXYPDDITQV-OXQOHEQNSA-N	422.978	4.379	70	40	HIIB	
CC(C)n1cnc(S(=O)(=O)N2CCS[C@H]2c2ccc(Cl)c(Cl)c2)c1	217647115	SRAFCPZRNORSPU-HNNXBMFYSA-N	406.360	4.207	70	40	HIIB	
O=C(NCc1nc(-c2ccccc2)no1)c1ccc(CN2CCc3ccccc3C2)cc1	218078257	AGPKLBSZOVJYHA-UHFFFAOYSA-N	424.504	4.225	70	40	HIIB	
O=C(c1ccc(F)c(F)c1F)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1	217802004	VWSAXVLTQRKSSH-GFCCVEGCSA-N	419.378	4.388	70	40	HIIB	
Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1C	218524671	FKQUYOWGHDKNON-INIZCTEOSA-N	420.962	4.232	70	40	HIIB	
CC[C@@H](NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	218379191	BNEWLNSDXHPAFH-DENIHFKCSA-N	416.587	4.342	70	40	HIIB	
COc1cccc([C@H](C)N2CCN(C(=O)c3ccc(Cl)c4cccnc34)CC2)c1	216852466	MYRLGEPSDKKNPM-INIZCTEOSA-N	409.917	4.416	70	40	HIIB	
CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	217028597	KTQCOSPYQGKJRJ-HSZRJFAPSA-N	410.558	4.250	70	40	HIIB	
CC[C@@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1	218090310	AEZMOYRTPPNLRH-GOSISDBHSA-N	411.976	4.493	70	40	HIIB	
COc1ccc(/C=C/C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c(OC)c1OC	218188171	NXSLMMDOVZERBL-PEKVBPLLSA-N	411.498	4.453	70	40	HIIB	
CCc1cccc(CC)c1NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O	218470318	VDSVWIRAQYBLRR-AWEZNQCLSA-N	408.951	4.258	70	40	HIIB	
COc1ccc(-c2noc(CN(C)C(=O)CSCc3cccc(Cl)c3)n2)cc1	218040320	PWZNTRUVFPBDQD-UHFFFAOYSA-N	417.918	4.290	70	40	HIIB	
COC(=O)c1sc(C(F)(F)F)c(-c2ccccc2OC)c1S(=O)(=O)Cl	97945805	MKVOJIAXIGWLTF-UHFFFAOYSA-N	414.810	4.157	70	40	HIIB	
COc1cccc(-c2noc(CN(C)C(=O)COc3ccc(Cl)cc3Cl)n2)c1	217838543	MKKXDPQVPVQHNA-UHFFFAOYSA-N	422.268	4.089	70	40	HIIB	
CC[C@H](NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	218370266	UFGNZIHACYJBTL-KNQAVFIVSA-N	416.587	4.342	70	40	HIIB	
C[C@](O)(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cc2ccccc2s1	217514446	NNWVRVORPWFQGS-KRWDZBQOSA-N	415.458	4.106	70	40	HIIB	
CC[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1	217993678	URBWXSJNTAKZEU-SCLBCKFNSA-N	411.976	4.492	70	40	HIIB	
Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1C	218626814	RAWKSQDIRXZOJN-IBGZPJMESA-N	414.571	4.277	70	40	HIIB	
Cc1ccc(CN2CCO[C@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)cc1	216775411	OGCDIYCUPSXCFW-FQEVSTJZSA-N	402.420	4.185	70	40	HIIB	
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1-c1cn2ccsc2n1	218568664	WTNKIUQLQLNFOV-QGZVFWFLSA-N	412.515	4.401	70	40	HIIB	
CN1CCC(Oc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)CC1	216941751	LHVWEFGPPXLDFB-UHFFFAOYSA-N	415.342	4.267	70	40	HIIB	
C[Si](C)(C)O[Si](O[SiH](Cl)Cl)(O[Si](C)(C)C)O[Si](C)(C)C	200054372	FVJAQCMUJMSMOV-UHFFFAOYSA-N	411.655	4.188	70	40	HIIB	
COc1ccc(CSCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1	218118365	SQBVNUFNHRBOAZ-UHFFFAOYSA-N	417.918	4.290	70	40	HIIB	
CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1)S(C)(=O)=O	218777351	FILZWBLXYPTQJF-INIZCTEOSA-N	402.560	4.261	70	40	HIIB	
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1	218682263	OBDJYEUQDCFHPA-GFCCVEGCSA-N	406.269	4.469	70	40	HIIB	
Cc1ccc(C2(CNC(=O)CCc3ccc(S(=O)(=O)F)cc3)CCC2)cc1C	1538623340	HNQRQMXZTKTKQF-UHFFFAOYSA-N	403.519	4.132	70	40	HIIB	
CCc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)cc1	216769687	LSAFSORKVUEWDZ-HXUWFJFHSA-N	402.420	4.443	70	40	HIIB	
CC(C)Oc1cccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1	218409866	BKYGJEBESBSBQC-UHFFFAOYSA-N	424.522	4.205	70	40	HIIB	
COc1cccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCCCC4)cc3)n2)c1	218613428	ZNEZXQWFWDLWCV-UHFFFAOYSA-N	420.513	4.003	70	40	HIIB	
Cc1cc(OCC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc(C)c1Cl	217010979	AUGDLPYSIDAAFT-UHFFFAOYSA-N	416.949	4.125	70	40	HIIB	
Cc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1	218183004	DCRVOSWQXPPUIA-ZHACJKMWSA-N	412.287	4.479	70	40	HIIB	
CC[C@@H](Oc1ccc(OC)cc1)C(=O)N(CC)Cc1nc(-c2cccs2)no1	218761163	AGTVZGUFRSETLP-MRXNPFEDSA-N	401.488	4.013	70	40	HIIB	
CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc(S(C)(=O)=O)cc1	218716241	IDZXVOHDLBJYDG-DNVCBOLYSA-N	423.962	4.395	70	40	HIIB	
Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCCCC4)cc3)n2)c1	218613219	MQXRNNJRZILIEF-UHFFFAOYSA-N	404.514	4.303	70	40	HIIB	
Cc1cccc(CC(=O)N2CCC(N3CCC[C@@H]3COCc3ccccc3)CC2)c1	217596131	QOILYUDVIUFGRQ-RUZDIDTESA-N	406.570	4.210	70	40	HIIB	
Cc1cc(O[C@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)cc(C)c1Cl	218718874	SUJNHWVKBTVZIG-CYBMUJFWSA-N	405.907	4.494	70	40	HIIB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NC2CCCCCCC2)cc1	218304963	SZCUBBCWVKHPDJ-UHFFFAOYSA-N	414.571	4.496	70	40	HIIB	
CC[C@@H](NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	218370330	UFGNZIHACYJBTL-SIKLNZKXSA-N	416.587	4.342	70	40	HIIB	
CC(C)Oc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1	218522816	UKGOUIDIPHMLHO-UHFFFAOYSA-N	422.934	4.164	70	40	HIIB	
O=C1CS[C@H](c2cn(Cc3ccc(C(F)(F)F)cc3)nn2)N1Cc1ccccc1	216683305	VMDAHLSQTFSQGA-LJQANCHMSA-N	418.444	4.119	70	40	HIIB	
O=C(Cc1cc(F)c(F)cc1F)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@@H]21	218013062	QFPOGUHTOWMFPG-FOHILQBSSA-N	404.476	4.068	70	40	HIIB	
CC[C@@H](NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1	218550085	QRGZMFIBWMKVOX-TZIWHRDSSA-N	416.587	4.342	70	40	HIIB	
CC[C@@H](NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)cc1C	218370639	UKHKKHARGNOUSX-SIKLNZKXSA-N	416.587	4.342	70	40	HIIB	
COc1cc(CNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc(OC)c1OC	218711654	KXMOGKBDYLUYPI-AWEZNQCLSA-N	407.894	4.066	70	40	HIIB	
CCOc1ccccc1C(=O)N1CCC(N2CCC[C@@H]2COCc2ccccc2)CC1	217596701	DMXUYKNMJKRAKI-HSZRJFAPSA-N	422.569	4.371	70	40	HIIB	
CCOc1ccc2ccccc2c1C(=O)NCCn1nc(-c2ccncc2)cc1C	217868535	KMNNXPCDBWOPBR-UHFFFAOYSA-N	400.482	4.235	70	40	HIIB	
C[C@H](Sc1ccccc1)C(=O)NCc1nc(-c2cccc(Br)c2)no1	218062872	VBQQGACJAJMFTJ-LBPRGKRZSA-N	418.316	4.296	70	40	HIIB	
CC[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(S(C)(=O)=O)cc1	217838089	ALAYGVVOWGUJNK-MRXNPFEDSA-N	416.326	4.043	70	40	HIIB	
CC[C@@H](NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1	218360512	PZIZSNQHLPGPMF-GHTZIAJQSA-N	402.560	4.034	70	40	HIIB	
COc1ccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCCCC4)cc3)n2)cc1	218613532	BDSBGIVKIOGWKX-UHFFFAOYSA-N	420.513	4.003	70	40	HIIB	
O=C(CSCc1ccc(Br)cc1)NCc1nc(-c2ccccc2)no1	218198654	FXSYLIMHIUMWGO-UHFFFAOYSA-N	418.316	4.049	70	40	HIIB	
CCc1cccc(C)c1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O	218483743	SICLAIAFAMYDCY-CQSZACIVSA-N	424.950	4.013	70	40	HIIB	
CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	217035316	HRYOYKIJWIJDAJ-JOCHJYFZSA-N	416.949	4.287	70	40	HIIB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1	218760899	HIPZWEHKHMNNTJ-SFHVURJKSA-N	415.877	4.215	70	40	HIIB	
CC[C@@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1	218045226	LZPPHSPPYWLNRX-GOSISDBHSA-N	411.976	4.244	70	40	HIIB	
O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(CN2CCCCC2)cc1	218613118	QMYWLLAAWSHUBD-UHFFFAOYSA-N	410.905	4.306	70	40	HIIB	
COc1ccc(CSCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1	218112010	AHILYUDEICECSS-UHFFFAOYSA-N	420.534	4.497	70	40	HIIB	
CCCOc1ccccc1CCCNC(=O)CN1C(=O)c2cccc3cccc1c23	218317648	HYGNZQKVVAPKRH-UHFFFAOYSA-N	402.494	4.338	70	40	HIIB	
CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1)c1ccc(C)cc1C	218513445	IVZPCWSXQHSINE-OAQYLSRUSA-N	414.571	4.277	70	40	HIIB	
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217809327	AXERCJCNKIQVLX-AWEZNQCLSA-N	403.910	4.239	70	40	HIIB	
CC1(C)Cc2cccc(OCC(=O)N(CCc3cccs3)C3CCOCC3)c2O1	217495124	LJRMRWNTFBOOJY-UHFFFAOYSA-N	415.555	4.091	70	40	HIIB	
CC[C@@H](NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	218477917	OMBVAQSMXPQAEM-OXQOHEQNSA-N	422.978	4.379	70	40	HIIB	
O=C1CS[C@H](c2cn(Cc3ccccc3C(F)(F)F)nn2)N1Cc1ccccc1	216683187	GBXBHZMQOBUUKW-LJQANCHMSA-N	418.444	4.119	70	40	HIIB	
C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1ccccc1	218637302	AIOLBLIHAQNGAL-MRXNPFEDSA-N	420.962	4.396	70	40	HIIB	
CC[C@H](NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	218379252	BNEWLNSDXHPAFH-KNQAVFIVSA-N	416.587	4.342	70	40	HIIB	
CCOC(=O)COc1ccc2c(c1)c(C(=O)OCC)c(C)n2CCc1ccccc1	217767819	KYMZJKICRJMATJ-UHFFFAOYSA-N	409.482	4.311	70	40	HIIB	
CN1CCC(Oc2ccc(CNC(=O)CCCOc3ccc(Cl)cc3)cc2)CC1	216946740	YJPKCFXUORPRLB-UHFFFAOYSA-N	416.949	4.288	70	40	HIIB	
CN1CCC(CCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1	217030301	GDTMVIJVUHIKTA-UHFFFAOYSA-N	412.405	4.054	70	40	HIIB	
Cc1ccc(CCC(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1	218537439	JSULYUSJOFPBNR-UHFFFAOYSA-N	414.303	4.399	70	40	HIIB	
C[C@@H](C(=O)NC1CCCCCCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	218492102	XCSFFLBYUNYGQG-ZDUSSCGKSA-N	421.390	4.377	70	40	HIIB	
COc1ccc(OCCCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1	218743354	MTYDTAZVTCDZDE-UHFFFAOYSA-N	415.877	4.216	70	40	HIIB	
CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)cc1C	218360703	CZLQAGMFPFFYSR-WIYYLYMNSA-N	402.560	4.034	70	40	HIIB	
COc1ccc(-c2noc(CNC(=O)CSCc3c(F)cccc3Cl)n2)cc1	218205132	OXWQDENCYDIXCE-UHFFFAOYSA-N	421.881	4.087	70	40	HIIB	
CC[C@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccc(S(C)(=O)=O)cc1	218106473	PJBUSOAPDFJKPA-CIPTZOQDSA-N	409.507	4.491	70	40	HIIB	
CC[C@H](NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)cc1C	218360950	CZLQAGMFPFFYSR-RXVVDRJESA-N	402.560	4.034	70	40	HIIB	
C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N(c1cccc(Cl)c1)S(C)(=O)=O	218471389	WNLIJJDAOZHEHO-JTQLQIEISA-N	421.733	4.440	70	40	HIIB	
Cc1cc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)cc(C)c1Cl	218718795	SUJNHWVKBTVZIG-ZDUSSCGKSA-N	405.907	4.494	70	40	HIIB	
O=[N+]([O-])c1ccc(Cl)c(OCCCCOc2ccc(S(=O)(=O)F)cc2)c1	104170982	NCYSKIOGBRPBDO-UHFFFAOYSA-N	403.815	4.144	70	40	HIIB	
Cc1ccccc1NC(=O)C1(N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)CCC(C)CC1	217424522	XYVZPNJLEQNOIM-IRDJYZNJSA-N	419.569	4.163	70	40	HIIB	
O=C(Cc1ccc(F)cc1)N1CCC(N2CCC[C@@H]2COCc2ccccc2)CC1	217596405	MGZAKPRBUNCLOH-XMMPIXPASA-N	410.533	4.040	70	40	HIIB	
CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1	218440771	PDHPMSNTZHXROX-UHFFFAOYSA-N	402.516	4.046	70	40	HIIB	
COc1ccc(C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1	218515381	FOWHZGAKNFKNLJ-UHFFFAOYSA-N	416.543	4.129	70	40	HIIB	
Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c1	217024545	OVGNXHQKJLDNFP-FQEVSTJZSA-N	410.558	4.169	70	40	HIIB	
Cc1cc(C(=O)NCCSC(C)(C)C)cc2c1N(C)S(=O)(=O)c1ccccc1-2	216891834	YZYUCYSHKMWUSM-UHFFFAOYSA-N	418.584	4.062	70	40	HIIB	
O=C(CSc1nc2ccccc2s1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1	217663204	BPIJUOWJBSYASM-INIZCTEOSA-N	421.551	4.121	70	40	HIIB	
COc1cccc(CCCNC(=O)CSCc2ccc(Br)cc2)c1	218195608	IMJJFGKXDQOCNM-UHFFFAOYSA-N	408.361	4.440	70	40	HIIB	
COc1ccc(CSCC(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1	218115729	ZOEVVLVMDWHUGC-IBGZPJMESA-N	401.528	4.356	70	40	HIIB	
COc1ccc([C@@H](O)CNC(=O)CC(c2ccccc2)c2ccccc2)cc1OC	217495922	JWPRXVBEWNWVEB-QFIPXVFZSA-N	405.494	4.076	70	40	HIIB	
COc1cccc([C@H](C)N2CCN(C(=O)c3cc(Cl)cc4cccnc34)CC2)c1	216848146	GQIQTKVIXBSTQC-INIZCTEOSA-N	409.917	4.416	70	40	HIIB	
CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	217026042	MJDSVAXHKRWUIQ-NRFANRHFSA-N	416.949	4.287	70	40	HIIB	
C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N(c1cccc(Cl)c1)S(C)(=O)=O	218467969	SHROQFHRSRMIMS-NSHDSACASA-N	420.840	4.152	70	40	HIIB	
CCCOc1ccccc1CCCNC(=O)c1ccc(I)cc1	218213298	QUQUQARDTQKLQH-UHFFFAOYSA-N	423.294	4.443	70	40	HIIB	
C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1	218682494	CZNDQIPBWPBZDR-LBPRGKRZSA-N	406.269	4.469	70	40	HIIB	
CC[C@H](NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(C)cc1C	218386716	NQPHOXLDQHSLJA-JXFKEZNVSA-N	422.978	4.379	70	40	HIIB	
Cc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1	218363770	PHECELUSKKXXRI-IBGZPJMESA-N	416.587	4.022	70	40	HIIB	
O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1cc(-c2ccc(F)cc2)c[nH]1	218277497	BQJUSXUKKSVATN-LJQANCHMSA-N	418.428	4.110	70	40	HIIB	
CC[C@@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccc(S(C)(=O)=O)cc1	218106389	PJBUSOAPDFJKPA-QEQIRTOISA-N	409.507	4.491	70	40	HIIB	
O=C1CS[C@@H](c2cn(Cc3ccc(C(F)(F)F)cc3)nn2)N1Cc1ccccc1	216683254	VMDAHLSQTFSQGA-IBGZPJMESA-N	418.444	4.119	70	40	HIIB	
COc1ccc(/C=C/C(=O)NCCCc2cccc(OC(C)C)c2)c(OC)c1OC	218186188	NYBCHLFSRGCCHS-WYMLVPIESA-N	413.514	4.262	70	40	HIIB	
CC[C@@H](NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)cc1C	218550414	PPKBSPJTIZTURX-TZIWHRDSSA-N	416.587	4.342	70	40	HIIB	
CC[C@@H](NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(C)cc1C	218379687	XPRQRDDJLXNZPR-SIKLNZKXSA-N	416.587	4.342	70	40	HIIB	
CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)cc1C	218370505	UKHKKHARGNOUSX-DENIHFKCSA-N	416.587	4.342	70	40	HIIB	
CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(C)cc1C	218386504	NQPHOXLDQHSLJA-OXQOHEQNSA-N	422.978	4.379	70	40	HIIB	
CSc1nc(Nc2ccc(OCc3ccccc3)cc2)cc(N2CCN(C)CC2)n1	216852086	FVMUOYGTLQASTQ-UHFFFAOYSA-N	421.570	4.273	70	40	HIIB	
COc1cccc(-c2noc(CNC(=O)[C@H](C)Sc3ccc(Cl)cc3)n2)c1	217994334	DTLRCIJHKAIETB-LBPRGKRZSA-N	403.891	4.196	70	40	HIIB	
Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1S(=O)(=O)N1CCCCCC1	218516607	NZESPIVISOYTPH-UHFFFAOYSA-N	408.470	4.090	70	40	HIIB	
COc1cccc([C@@H](C)N2CCN(C(=O)c3ccc(Cl)c4cccnc34)CC2)c1	216852439	MYRLGEPSDKKNPM-MRXNPFEDSA-N	409.917	4.416	70	40	HIIB	
C[C@@H](Sc1ccccc1)C(=O)NCc1nc(-c2cccc(Br)c2)no1	218062780	VBQQGACJAJMFTJ-GFCCVEGCSA-N	418.316	4.296	70	40	HIIB	
Cc1cccc(-c2noc(CNC(=O)CSCc3c(F)cccc3Cl)n2)c1	218205017	NIQVBYWIMMJRHG-UHFFFAOYSA-N	405.882	4.387	70	40	HIIB	
Cc1ccc(C)c(N(CCCC(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1	218747882	XHRXLZNVRITLHC-HXUWFJFHSA-N	416.587	4.344	70	40	HIIB	
COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1c(C)cc(C)cc1C)S(C)(=O)=O	218483459	AOYVRDKJNJEECH-OAHLLOKOSA-N	424.950	4.067	70	40	HIIB	
Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1	218552998	ATQKGNLWIPOKRC-SJORKVTESA-N	422.978	4.297	70	40	HIIB	
CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1	218669770	DIJHPJNFPKHLIS-HRAATJIYSA-N	417.571	4.422	70	40	HIIB	
COc1ccc(-c2noc(CN(C)C(=O)c3ccc(Cl)cc3Cl)n2)c(OC)c1	217857257	MRFSMYPMHSAMNJ-UHFFFAOYSA-N	422.268	4.333	70	40	HIIB	
CCc1cccc(C)c1NC(=O)[C@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O	218483821	SICLAIAFAMYDCY-AWEZNQCLSA-N	424.950	4.013	70	40	HIIB	
Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCCCC4)cc3)n2)cc1	218613333	GVELIAXIWILXLR-UHFFFAOYSA-N	404.514	4.303	70	40	HIIB	
CN(CCCNC(=O)CSCc1ccc(Br)cc1)c1ccccc1	218199695	MEIDXDUTUDCLMH-UHFFFAOYSA-N	407.377	4.325	70	40	HIIB	
COc1ccc(-c2noc(CNC(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c(OC)c1	217955186	SQZXJPIOCJNKBX-MDWZMJQESA-N	421.497	4.381	70	40	HIIB	
CC[C@H](NC(=O)CSCc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1	218032008	IXNBZVZQQPKGMQ-SFHVURJKSA-N	411.976	4.244	70	40	HIIB	
COc1ccc(CCCNC(=O)CSCc2c(F)cccc2Cl)cc1OC	218202626	SVLKNZRKYQUCMW-UHFFFAOYSA-N	411.926	4.479	70	40	HIIB	
O=S(=O)(NCCn1nc(-c2ccsc2)cc1C1CC1)c1ccc(Cl)s1	217882223	WRKKDCOLPZBVBT-UHFFFAOYSA-N	413.977	4.182	70	40	HIIB	
CC[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1	218669844	DIJHPJNFPKHLIS-KKSFZXQISA-N	417.571	4.422	70	40	HIIB	
Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)COc3ccccc3F)C2)n1	217828435	FCIJPZHQRSDJHI-KRWDZBQOSA-N	409.461	4.044	70	40	HIIB	
Cc1ccc(N(CC(=O)NC2CCCCCCC2)S(=O)(=O)c2ccccc2)cc1	218224408	PSVLYKGUYCPFCN-UHFFFAOYSA-N	414.571	4.419	70	40	HIIB	
C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1	218682340	OBDJYEUQDCFHPA-LBPRGKRZSA-N	406.269	4.469	70	40	HIIB	
CC(C)n1cnc(S(=O)(=O)N2CCS[C@@H]2c2ccc(Cl)c(Cl)c2)c1	217647028	SRAFCPZRNORSPU-OAHLLOKOSA-N	406.360	4.207	70	40	HIIB	
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O	218467548	YONOEXHSDOQPMW-GFCCVEGCSA-N	401.315	4.095	70	40	HIIB	
CC[C@@H](Oc1ccc(OC)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1	218760855	HIPZWEHKHMNNTJ-GOSISDBHSA-N	415.877	4.215	70	40	HIIB	
CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)c1cccc(Cl)c1	217854493	WEJOARLQXIJUHO-UHFFFAOYSA-N	406.667	4.425	70	40	HIIB	
CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1	218669608	DIJHPJNFPKHLIS-IIBYNOLFSA-N	417.571	4.422	70	40	HIIB	
CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1	218386164	XCJHTMIMYXCKHD-OXQOHEQNSA-N	422.978	4.379	70	40	HIIB	
O=C(CCc1ccc(Cl)c(Cl)c1)N1CC(n2cc(-c3ccccc3)nn2)C1	217672281	PEHYTEYKJCYZCO-UHFFFAOYSA-N	401.297	4.268	70	40	HIIB	
COc1cccc([C@@H](C)N2CCN(C(=O)c3cc(Cl)cc4cccnc34)CC2)c1	216848119	GQIQTKVIXBSTQC-MRXNPFEDSA-N	409.917	4.416	70	40	HIIB	
CCC(=O)Nc1ccc(S(=O)(=O)NCC2(c3ccsc3)CCCC2)c(C)c1	217484550	GKDJQALMGLPTFJ-UHFFFAOYSA-N	406.573	4.195	70	40	HIIB	
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc2c(ccc3ccccc32)o1	218495870	BDWQSJYRBCQQSW-UHFFFAOYSA-N	420.490	4.039	70	40	HIIB	
Cc1ccc(CN2CCO[C@@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)cc1	216775366	OGCDIYCUPSXCFW-HXUWFJFHSA-N	402.420	4.185	70	40	HIIB	
O=C(COc1ccc(Cl)cc1Cl)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217809127	MPPNYOZSBUWFMQ-LBPRGKRZSA-N	410.301	4.114	70	40	HIIB	
O=C(c1cnc2ccc(F)cc2c1O)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]21	218044593	GGGUEYCQLIHTKW-TXKCWOHGSA-N	421.516	4.115	70	40	HIIB	
CC1(C)Cc2cccc(OCC(=O)NC[C@@](C)(O)c3cc4ccccc4s3)c2O1	217505767	LKGHPLLQAUMSKP-HSZRJFAPSA-N	411.523	4.018	70	40	HIIB	
CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	217027212	JVHYIVQTDNFJRS-XMMPIXPASA-N	410.558	4.250	70	40	HIIB	
CC[C@H](NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)cc1C	218370577	UKHKKHARGNOUSX-KNQAVFIVSA-N	416.587	4.342	70	40	HIIB	
Cc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1S(=O)(=O)N1CCCCC1	218504108	QWQPGHOBAWOOCI-UHFFFAOYSA-N	416.543	4.209	70	40	HIIB	
O=C1CS[C@@H](c2cn(Cc3ccccc3C(F)(F)F)nn2)N1Cc1ccccc1	216683140	GBXBHZMQOBUUKW-IBGZPJMESA-N	418.444	4.119	70	40	HIIB	
CC[C@H](NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1C	218478342	DSURWXYPDDITQV-UZLBHIALSA-N	422.978	4.379	70	40	HIIB	
Cc1cccc(CN2CCO[C@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)c1	216777314	AWPQGWZKSAQVDR-FQEVSTJZSA-N	402.420	4.185	70	40	HIIB	
CC[C@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1	217993617	URBWXSJNTAKZEU-ACJLOTCBSA-N	411.976	4.492	70	40	HIIB	
COc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1OC	217926928	YVQZMQUQWFTPER-PKNBQFBNSA-N	413.861	4.079	70	40	HIIB	
COc1ccc(-c2noc(CNC(=O)c3ccc(-c4ccccc4)cc3)n2)c(OC)c1	218166708	YXVGHCISFHFCIU-UHFFFAOYSA-N	415.449	4.351	70	40	HIIB	
COc1ccc(-c2noc(CN(C)C(=O)CSc3ccc(Cl)cc3)n2)cc1	217984634	XYKMPAGZLCMITN-UHFFFAOYSA-N	403.891	4.149	70	40	HIIB	
CC[C@H](NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	218477984	OMBVAQSMXPQAEM-UZLBHIALSA-N	422.978	4.379	70	40	HIIB	
COc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)n2)c1	218670127	JGGBFBYLOXNQOP-OAHLLOKOSA-N	409.486	4.126	70	40	HIIB	
CC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C	5495658	CQSIVDZWZNZSAM-GGVZMXCHSA-N	402.952	4.261	70	40	HIIB	
CC[C@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(OC)c(OC)c1	218319824	SNFPXPGOTYYLMM-SFHVURJKSA-N	404.466	4.085	70	40	HIIB	
CO[C@](C(=O)Oc1c(F)c(F)c(F)c(F)c1F)(c1ccccc1)C(F)(F)F	103557778	UGGOVMMOKIUNLP-HNNXBMFYSA-N	400.221	4.392	70	40	HIIB	
Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1C	218506322	QOIPNPBGSDRLDF-LJQANCHMSA-N	414.571	4.277	70	40	HIIB	
COc1ccccc1CCCNC(=O)CSCc1ccc(Br)cc1	218195509	QVJZAGNKGPPZLG-UHFFFAOYSA-N	408.361	4.440	70	40	HIIB	
O=C(CSCc1ccc(Br)cc1)NCc1nc(-c2cccs2)no1	218199074	BHPVBBNACWCJTB-UHFFFAOYSA-N	424.345	4.110	70	40	HIIB	
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217809240	AXERCJCNKIQVLX-CQSZACIVSA-N	403.910	4.239	70	40	HIIB	
CC[C@H](NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	218478151	OMBVAQSMXPQAEM-JXFKEZNVSA-N	422.978	4.379	70	40	HIIB	
CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	217026414	WNMZXMQMEXGFMK-JOCHJYFZSA-N	416.949	4.287	70	40	HIIB	
CC[C@@H](Oc1ccc(OC)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1	218760954	DJCFPJAZMUIQSA-GOSISDBHSA-N	415.877	4.215	70	40	HIIB	
COc1cccc(-c2noc(CN(C)C(=O)CSCc3cccc(Cl)c3)n2)c1	218040208	TUSNCRUVYOFARI-UHFFFAOYSA-N	417.918	4.290	70	40	HIIB	
CN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1c(F)cccc1Cl	218206023	UKFADYFLPQSUDZ-UHFFFAOYSA-N	411.911	4.482	70	40	HIIB	
CC[C@H](NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(C)cc1C	218386580	NQPHOXLDQHSLJA-UZLBHIALSA-N	422.978	4.379	70	40	HIIB	
C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N(c1cccc(Cl)c1)S(C)(=O)=O	218471410	WNLIJJDAOZHEHO-SNVBAGLBSA-N	421.733	4.440	70	40	HIIB	
CC[C@H](NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)cc1C	218550500	PPKBSPJTIZTURX-CTNGQTDRSA-N	416.587	4.342	70	40	HIIB	
Cc1cc(S(=O)(=O)NC[C@](C)(O)c2cc3ccccc3o2)c(Cl)cc1Cl	217999247	VDWULJDXGBMHIP-SFHVURJKSA-N	414.310	4.234	70	40	HIIB	
Cc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1S(=O)(=O)N1CCCCCC1	218515201	OXKLHKVEJFDASO-GOSISDBHSA-N	400.544	4.051	70	40	HIIB	
CC[C@@H](NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1	218745589	UOZPWZWVDLWTGP-OAQYLSRUSA-N	420.550	4.256	70	40	HIIB	
O=S(=O)(Cl)c1ccc(SSc2ccc(S(=O)(=O)Cl)cc2)cc1	100022590	VUKZJNCBRXLCAA-UHFFFAOYSA-N	415.366	4.341	70	40	HIIB	
COc1cccc(NC(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)c1OC	217880913	DMAIZVSJJDRKEF-UHFFFAOYSA-N	412.515	4.328	70	40	HIIB	
CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1	218669691	DIJHPJNFPKHLIS-IERDGZPVSA-N	417.571	4.422	70	40	HIIB	
CC(C)Oc1cccc(CCCNC(=O)CN2C(=O)c3cccc4cccc2c34)c1	218316961	UNEFXCHPSJBWQO-UHFFFAOYSA-N	402.494	4.336	70	40	HIIB	
COc1ccc2c(c1)[C@@H](NC(=O)CN1C(=O)c3cccc4cccc1c34)CC(C)(C)O2	218318930	BEBQBRSOZGGHRV-IBGZPJMESA-N	416.477	4.227	70	40	HIIB	
COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)cc1	218717164	UIEVJEPBJLGZRH-AWEZNQCLSA-N	415.877	4.099	70	40	HIIB	
C[C@@](O)(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cc2ccccc2s1	217514363	NNWVRVORPWFQGS-QGZVFWFLSA-N	415.458	4.106	70	40	HIIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN1C(=O)c2cccc3cccc1c23	218319208	FDEGLYAFKCELQI-LJQANCHMSA-N	416.477	4.227	70	40	HIIB	
CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)CCc1ccccc1	218174121	RTIULLKUPVCFMF-UHFFFAOYSA-N	400.276	4.090	70	40	HIIB	
CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(CN2CCCCC2)cc1	218613848	BUEIWRNEJLAFAD-UHFFFAOYSA-N	410.543	4.446	70	40	HIIB	
O=C(c1cc(-c2cccs2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@@H]21	218049961	WDHMIBFAAGQCCY-KAULMNLWSA-N	408.571	4.173	70	40	HIIB	
CC(C)n1cc(CCCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc21	218050820	JUXYPBBRJLFDGR-PZJWPPBQSA-N	417.553	4.353	70	40	HIIB	
COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)[C@@]12C[C@@H]3C[C@@H](C[C@@](Cl)(C3)C1)C2	217949576	HWDBUEUSWVOIMP-NFVGHHCFSA-N	416.905	4.479	70	40	HIIB	
COc1ccc(-c2noc(CN(C)C(=O)c3ccc(C(C)(C)C)cc3)n2)c(OC)c1	217860730	RROMEDILNWHDPY-UHFFFAOYSA-N	409.486	4.324	70	40	HIIB	
COc1ccc(CSCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1	218119031	HMNIHPWFQMZWDU-UHFFFAOYSA-N	400.544	4.040	70	40	HIIB	
CC[C@H](NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(C)cc1C	218379772	XPRQRDDJLXNZPR-UGKGYDQZSA-N	416.587	4.342	70	40	HIIB	
Cc1cccc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1C	218280233	FEGFDWXWHFMWPK-UHFFFAOYSA-N	401.315	4.015	70	40	HIIB	
COc1ccc(-c2noc(CNC(=O)CCc3ccc(C(C)(C)C)cc3)n2)c(OC)c1	218542859	NPNHEBVQGHTAIM-UHFFFAOYSA-N	423.513	4.300	70	40	HIIB	
CC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(S(C)(=O)=O)cc1	217838152	ALAYGVVOWGUJNK-INIZCTEOSA-N	416.326	4.043	70	40	HIIB	
COc1ccc(/C=C/C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c(OC)c1OC	218187893	GIMFWYVNWFTTRU-ZPHJMFTNSA-N	411.498	4.453	70	40	HIIB	
C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N(c1cccc(Cl)c1)S(C)(=O)=O	218468060	SHROQFHRSRMIMS-LLVKDONJSA-N	420.840	4.152	70	40	HIIB	
CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)c1ccc(C)cc1C	218624049	AJXZTSCAUSZNIP-JOCHJYFZSA-N	414.571	4.277	70	40	HIIB	
CN(C)c1ccc(C(=O)N2CCC[C@H](Cc3nc(-c4ccccc4F)no3)C2)cc1	217799082	UEJXDOKSHJDFSJ-MRXNPFEDSA-N	408.477	4.037	70	40	HIIB	
C[C@H](C(=O)NC1CCCCCCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	218492185	XCSFFLBYUNYGQG-CYBMUJFWSA-N	421.390	4.377	70	40	HIIB	
COc1ccc(CNC(=O)CSCc2c(F)cccc2Cl)c(OC)c1OC	218200259	KLRUYFWUNXKDQS-UHFFFAOYSA-N	413.898	4.055	70	40	HIIB	
Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O	218467623	YONOEXHSDOQPMW-LBPRGKRZSA-N	401.315	4.095	70	40	HIIB	
CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	218370206	UFGNZIHACYJBTL-DENIHFKCSA-N	416.587	4.342	70	40	HIIB	
CC[C@H](NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1	218550308	QRGZMFIBWMKVOX-FPOVZHCZSA-N	416.587	4.342	70	40	HIIB	
Cc1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1Cl	218467774	ADHUHBSRFHMKII-GFCCVEGCSA-N	401.315	4.095	70	40	HIIB	
COc1cccc(-c2noc(CNC(=O)/C(=C/c3ccco3)c3ccccc3)n2)c1	218106908	BGFNLXGNZGJTQU-XSFVSMFZSA-N	401.422	4.195	70	40	HIIB	
CC[C@H](NC(=O)CSCc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1	218038968	FRDSJGHURJURIR-SFHVURJKSA-N	411.976	4.244	70	40	HIIB	
CC[C@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1	218738181	KWJZDBWBNKSNSP-IBGZPJMESA-N	409.935	4.170	70	40	HIIB	
CC[C@@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1	217993540	URBWXSJNTAKZEU-FZKQIMNGSA-N	411.976	4.492	70	40	HIIB	
CC[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1	218738124	KWJZDBWBNKSNSP-LJQANCHMSA-N	409.935	4.170	70	40	HIIB	
Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1C	218506412	QOIPNPBGSDRLDF-IBGZPJMESA-N	414.571	4.277	70	40	HIIB	
COc1ccc(CCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC	218712407	RQFANCINUQQWBT-MRXNPFEDSA-N	405.922	4.490	70	40	HIIB	
CCOc1ccc(CCCNC(=O)c2ccc(I)cc2)cc1	218213163	ZMTWKUVZNHNVNR-UHFFFAOYSA-N	409.267	4.053	70	40	HIIB	
Cc1ccccc1-c1noc(C[C@@H]2CCCN(S(=O)(=O)/C=C/c3ccccc3)C2)n1	217835173	ZWUFXKFAJPLSTH-GUCAUAJOSA-N	423.538	4.300	70	40	HIIB	
Cc1ccc(N([C@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cc1	218357570	HNWVECSCEJWNIF-QGZVFWFLSA-N	416.543	4.110	70	40	HIIB	
CCN(c1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1)S(C)(=O)=O	218777428	FILZWBLXYPTQJF-MRXNPFEDSA-N	402.560	4.261	70	40	HIIB	
O=C(c1cccc2ccccc12)N1CCC(N2CCC(Oc3nccs3)CC2)CC1	217487671	HXXFLCIMVPVWPV-UHFFFAOYSA-N	421.566	4.444	70	40	HIIB	
CN1CCC(Oc2ccc(CNC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1	216925271	ILCMDSKYIHLKBZ-UHFFFAOYSA-N	423.340	4.162	70	40	HIIB	
CC[C@H](NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(C)cc1C	218745770	JWTYPBQAADHHNY-NRFANRHFSA-N	420.550	4.256	70	40	HIIB	
COc1ccc(OCCCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1	218743411	UYYXPOBECLXOLG-UHFFFAOYSA-N	415.877	4.216	70	40	HIIB	
COc1ccc(C)cc1NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O	218313291	IHCIMLZWKJOVKK-UHFFFAOYSA-N	424.522	4.222	70	40	HIIB	
COc1cccc([C@@H]2SCCN2S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c1	217646725	VPQIEVGXHIMOIK-FQEVSTJZSA-N	416.524	4.095	70	40	HIIB	
Cc1noc(-c2c(NC(=O)CSc3ccc(F)cc3)sc3c2CCOC3)n1	217964507	NYRHJZAWHUNXLX-UHFFFAOYSA-N	405.476	4.049	70	40	HIIB	
Cn1cc(CC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@@H]32)c2ccccc21	218050127	CIXNLLJRNOWTJA-NLSXBWCTSA-N	403.570	4.142	70	40	HIIB	
Cc1ccc(C(=O)NC2CCCCCCC2)cc1S(=O)(=O)N1CCCCCC1	218517199	ZVKGXJSRTWXUSB-UHFFFAOYSA-N	406.592	4.402	70	40	HIIB	
CC[C@H](NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	218379411	BNEWLNSDXHPAFH-UGKGYDQZSA-N	416.587	4.342	70	40	HIIB	
CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(CN2CCCC2)cc1	218611729	XUTNBCURDFAOGA-UHFFFAOYSA-N	410.905	4.258	70	40	HIIB	
COc1cccc(-c2noc(CN(C)C(=O)CCCOc3ccc(Cl)cc3)n2)c1	218738827	NCYKTMQOGZECFZ-UHFFFAOYSA-N	415.877	4.216	70	40	HIIB	
CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1)c1ccc(C)c(C)c1	218513343	BTWMYMMWDKYIQQ-NRFANRHFSA-N	414.571	4.277	70	40	HIIB	
Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1	218552861	ATQKGNLWIPOKRC-IAGOWNOFSA-N	422.978	4.297	70	40	HIIB	
CN1CCC(CCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)CC1	217029957	AMPVFHWTZGFNJU-UHFFFAOYSA-N	412.405	4.054	70	40	HIIB	
CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)c1ccccc1Cl	217848844	BSGAUMJAVYLYOK-UHFFFAOYSA-N	406.667	4.425	70	40	HIIB	
CC[C@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1	218045310	LZPPHSPPYWLNRX-SFHVURJKSA-N	411.976	4.244	70	40	HIIB	
COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)cc1	218717093	UIEVJEPBJLGZRH-CQSZACIVSA-N	415.877	4.099	70	40	HIIB	
CCc1ccc(N2CCO[C@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)cc1	216769734	LSAFSORKVUEWDZ-FQEVSTJZSA-N	402.420	4.443	70	40	HIIB	
CC[C@H](NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1C	218478493	DSURWXYPDDITQV-JXFKEZNVSA-N	422.978	4.379	70	40	HIIB	
CCN(Cc1nc(-c2cccs2)no1)C(=O)CCCOc1ccc(OC)cc1	218743566	YYFOFSZVLSSXBQ-UHFFFAOYSA-N	401.488	4.014	70	40	HIIB	
COc1cccc(-c2noc(CN(C)C(=O)CSCc3ccccc3Cl)n2)c1	218033427	GMQHJJWJXGXKKV-UHFFFAOYSA-N	417.918	4.290	70	40	HIIB	
O=C(c1cc(-c2cccs2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]21	218049887	WDHMIBFAAGQCCY-AXRVMRSRSA-N	408.571	4.173	70	40	HIIB	
CC(C)c1ccccc1O[C@H](C)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	217024183	CNIIYYUQLKWILK-LJQANCHMSA-N	410.558	4.367	70	40	HIIB	
COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccccc3Cl)n2)c(OC)c1	217903454	FYEPEFSKNJHZLN-DHZHZOJOSA-N	413.861	4.079	70	40	HIIB	
Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c1	217024585	OVGNXHQKJLDNFP-HXUWFJFHSA-N	410.558	4.169	70	40	HIIB	
O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)C1(c2ccccc2)CCOCC1	217879594	BATWPKPQZMOYQV-UHFFFAOYSA-N	421.566	4.354	70	40	HIIB	
CC[C@@H](NC(=O)CSCc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1	218038884	FRDSJGHURJURIR-GOSISDBHSA-N	411.976	4.244	70	40	HIIB	
Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C	218555464	UCDCGICGVAKNLJ-IRXDYDNUSA-N	422.978	4.297	70	40	HIIB	
CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1)c1ccc(C)c(C)c1	218513273	BTWMYMMWDKYIQQ-OAQYLSRUSA-N	414.571	4.277	70	40	HIIB	
CO[C@@](C(=O)Oc1c(F)c(F)c(F)c(F)c1F)(c1ccccc1)C(F)(F)F	103557783	UGGOVMMOKIUNLP-OAHLLOKOSA-N	400.221	4.392	70	40	HIIB	
Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCC3)ccc2C)c(C)c1	217418810	CKUGQILHAKTJEK-UHFFFAOYSA-N	400.544	4.475	70	40	HIIB	
O=C(c1ccc(F)cc1Cl)N1CCC(N2CCC(Oc3nccs3)CC2)CC1	217592254	XAVBTSFOEAWWCL-UHFFFAOYSA-N	423.941	4.084	70	40	HIIB	
CN1CCC(CCNC(=O)C2CCN(Cc3cccc(Cl)c3Cl)CC2)CC1	217030076	PDNMWUMTFNDCSO-UHFFFAOYSA-N	412.405	4.054	70	40	HIIB	
O=C(CCSc1ccccc1)NCc1nc(-c2cccc(Br)c2)no1	218084647	BKBVIRBWEQIXDJ-UHFFFAOYSA-N	418.316	4.298	70	40	HIIB	
CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc(S(C)(=O)=O)cc1	218716396	IDZXVOHDLBJYDG-HNAYVOBHSA-N	423.962	4.395	70	40	HIIB	
Cc1c(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)cnn1-c1ccccc1	217877069	QACFWCFDLIKLNG-UHFFFAOYSA-N	417.538	4.413	70	40	HIIB	
CC[C@@H](NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	218478065	OMBVAQSMXPQAEM-OXJNMPFZSA-N	422.978	4.379	70	40	HIIB	
CCOc1ccccc1C(=O)N1CCC(N2CCC[C@H]2COCc2ccccc2)CC1	217596794	DMXUYKNMJKRAKI-QHCPKHFHSA-N	422.569	4.371	70	40	HIIB	
COc1ccc(/C=C/C(=O)NCCCc2ccc(OC(C)C)cc2)c(OC)c1OC	218186266	FMSLODQNUJJPMG-RVDMUPIBSA-N	413.514	4.262	70	40	HIIB	
Cc1ccc([C@H](C)NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1C	218560091	JIIFBJAFCAFFBH-FQEVSTJZSA-N	416.587	4.344	70	40	HIIB	
COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(Cl)cc3)n2)c(OC)c1	217962646	BDEQFGAAFYWRSN-IZZDOVSWSA-N	413.861	4.079	70	40	HIIB	
CC[C@@H](NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(C)cc1C	218745715	JWTYPBQAADHHNY-OAQYLSRUSA-N	420.550	4.256	70	40	HIIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN1C(=O)c2cccc3cccc1c23	218319128	FDEGLYAFKCELQI-IBGZPJMESA-N	416.477	4.227	70	40	HIIB	
CCN(c1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1)S(C)(=O)=O	218780014	KNRLVTUJGGPBGI-UHFFFAOYSA-N	402.516	4.046	70	40	HIIB	
CC[C@@H](NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)cc1C	218550588	PPKBSPJTIZTURX-PZJWPPBQSA-N	416.587	4.342	70	40	HIIB	
COc1ccc(CSCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1	218115658	ZOEVVLVMDWHUGC-LJQANCHMSA-N	401.528	4.356	70	40	HIIB	
Cn1nc(CN(Cc2ccco2)C(=O)c2ccc(OC(F)(F)F)cc2)c2c1CCC2	217905364	NEDYECXOIBNTTM-UHFFFAOYSA-N	419.403	4.243	70	40	HIIB	
Cc1noc(-c2c(NC(=O)c3ccccc3C(F)(F)F)sc3c2CCOC3)n1	217963586	NVQCAELMBXUBNE-UHFFFAOYSA-N	409.389	4.450	70	40	HIIB	
COc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1	218408152	MQLCCHVURMBKIB-UHFFFAOYSA-N	424.522	4.077	70	40	HIIB	
Cc1ccccc1OCC(=O)N1CCC(N2CCC[C@@H]2COCc2ccccc2)CC1	217596920	XZKGJRNZKKPFIV-XMMPIXPASA-N	422.569	4.046	70	40	HIIB	
CC[C@@H](NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(C)cc1C	218386659	NQPHOXLDQHSLJA-OXJNMPFZSA-N	422.978	4.379	70	40	HIIB	
Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)COc3ccccc3F)C2)n1	217828513	FCIJPZHQRSDJHI-QGZVFWFLSA-N	409.461	4.044	70	40	HIIB	
Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1C	218626736	RAWKSQDIRXZOJN-LJQANCHMSA-N	414.571	4.277	70	40	HIIB	
COc1cccc(-c2noc(CNC(=O)[C@@H](C)Sc3ccc(Cl)cc3)n2)c1	217994248	DTLRCIJHKAIETB-GFCCVEGCSA-N	403.891	4.196	70	40	HIIB	
CC1(C)Cc2cccc(OCC(=O)NC[C@](C)(O)c3cc4ccccc4s3)c2O1	217505682	LKGHPLLQAUMSKP-QHCPKHFHSA-N	411.523	4.018	70	40	HIIB	
CC[C@@H](NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1C	218478414	DSURWXYPDDITQV-OXJNMPFZSA-N	422.978	4.379	70	40	HIIB	
O=C(NC[C@@H]1CCCN1c1nc2ccccc2o1)c1ccc(OC(F)(F)F)cc1	217652185	ZGTNHLIGDWCEGW-AWEZNQCLSA-N	405.376	4.125	70	40	HIIB	
COc1ccc(-c2noc(CNC(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1	217909002	QTGYUTYHJGUPKJ-WEVVVXLNSA-N	404.253	4.382	70	40	HIIB	
CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	217024139	CNIIYYUQLKWILK-IBGZPJMESA-N	410.558	4.367	70	40	HIIB	
COc1ccc(-c2noc(CN(C)C(=O)CCCOc3ccc(Cl)cc3)n2)cc1	218738908	VQRCHHSZNBJXIE-UHFFFAOYSA-N	415.877	4.216	70	40	HIIB	
O=C1O[C@]2(CCCN(C(=O)c3cc(Br)ccc3Cl)C2)c2ccccc21	217589090	XCKJVGDAQQWWAB-IBGZPJMESA-N	420.690	4.404	70	40	HIIB	
COc1ccc(/C=C/C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c(OC)c1OC	218188082	NXSLMMDOVZERBL-ZPHJMFTNSA-N	411.498	4.453	70	40	HIIB	
CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1)c1ccc(C)cc1C	218513504	IVZPCWSXQHSINE-NRFANRHFSA-N	414.571	4.277	70	40	HIIB	
COc1ccc(-c2noc(CNC(=O)[C@H](C)Sc3ccc(Cl)cc3)n2)cc1	217994502	RCAHUAMJMCCEMG-LBPRGKRZSA-N	403.891	4.196	70	40	HIIB	
C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	218471198	UWSSHXRYGUZAQS-LLVKDONJSA-N	420.840	4.152	70	40	HIIB	
COc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)c1	218716922	OHZDNSCFTUJFSF-CQSZACIVSA-N	415.877	4.099	70	40	HIIB	
Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1	218553059	ATQKGNLWIPOKRC-IRXDYDNUSA-N	422.978	4.297	70	40	HIIB	
CC[C@H](NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)cc1C	218360805	CZLQAGMFPFFYSR-NQIIRXRSSA-N	402.560	4.034	70	40	HIIB	
O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1cc(-c2ccc(F)cc2)c[nH]1	218277437	BQJUSXUKKSVATN-IBGZPJMESA-N	418.428	4.110	70	40	HIIB	
O=C(Cc1cc(F)c(F)cc1F)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]21	218012970	QFPOGUHTOWMFPG-XQYWTEMXSA-N	404.476	4.068	70	40	HIIB	
COc1ccc(CNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c(OC)c1OC	218708595	SQZHILSPUUGRMR-CQSZACIVSA-N	407.894	4.066	70	40	HIIB	
O=C(NC[C@H]1CCCN1c1nc2ccccc2o1)c1ccc(OC(F)(F)F)cc1	217652097	ZGTNHLIGDWCEGW-CQSZACIVSA-N	405.376	4.125	70	40	HIIB	
O=C(Nc1cccc(C(F)(F)F)c1)Nc1cnn(C[C@H]2COc3ccccc3O2)c1	218289963	LXFAFBFXWSNWLT-INIZCTEOSA-N	418.375	4.386	70	40	HIIB	
CCOc1ccc(CCCNC(=O)c2ccccc2I)cc1	218216669	HJGSRVKTXDKHEH-UHFFFAOYSA-N	409.267	4.053	70	40	HIIB	
O=C(CCc1ccc(C(F)(F)F)cc1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1	217659574	AMKOIPKPKKNPAB-LJQANCHMSA-N	414.431	4.370	70	40	HIIB	
CC[C@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1	218090396	AEZMOYRTPPNLRH-SFHVURJKSA-N	411.976	4.493	70	40	HIIB	
CCn1c2ccccc2c2cc(NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)ccc21	218332410	PANXYVFDTOFJBX-UHFFFAOYSA-N	421.522	4.463	70	40	HIIB	
O=C(CSc1nc2ccccc2s1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1	217663124	BPIJUOWJBSYASM-MRXNPFEDSA-N	421.551	4.121	70	40	HIIB	
CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCCC1=CCCCC1	218313604	NFNIIGOKFVRGDF-UHFFFAOYSA-N	412.555	4.273	70	40	HIIB	
Cc1ccc(C)c([C@H](C)NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c1	218746560	FRIGTGKINAGPFE-FQEVSTJZSA-N	416.587	4.344	70	40	HIIB	
Cc1cccc(CN2CCO[C@@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)c1	216777261	AWPQGWZKSAQVDR-HXUWFJFHSA-N	402.420	4.185	70	40	HIIB	
CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1	218360372	PZIZSNQHLPGPMF-WIYYLYMNSA-N	402.560	4.034	70	40	HIIB	
CC(C)Oc1cccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1	218571603	OWPRHAMUGQECNT-UHFFFAOYSA-N	424.522	4.205	70	40	HIIB	
CC[C@@H](NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1	218386309	XCJHTMIMYXCKHD-OXJNMPFZSA-N	422.978	4.379	70	40	HIIB	
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1	218682434	CZNDQIPBWPBZDR-GFCCVEGCSA-N	406.269	4.469	70	40	HIIB	
CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	217027249	JVHYIVQTDNFJRS-DEOSSOPVSA-N	410.558	4.250	70	40	HIIB	
CCCOc1ccccc1CCCNC(=O)c1ccccc1I	218216777	KPNGALIGHDRERD-UHFFFAOYSA-N	423.294	4.443	70	40	HIIB	
CC[C@@H](NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)cc1C	218360869	CZLQAGMFPFFYSR-GHTZIAJQSA-N	402.560	4.034	70	40	HIIB	
COc1cccc(-c2noc(CNC(=O)CCSc3ccc(Cl)cc3)n2)c1	218090629	USBVYAMNGWMFKM-UHFFFAOYSA-N	403.891	4.197	70	40	HIIB	
CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc(S(C)(=O)=O)cc1	218716312	IDZXVOHDLBJYDG-BEFAXECRSA-N	423.962	4.395	70	40	HIIB	
CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	217026446	WNMZXMQMEXGFMK-QFIPXVFZSA-N	416.949	4.287	70	40	HIIB	
CN1CCC(CCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)CC1	217030239	KNYXWKHKARUXOE-UHFFFAOYSA-N	412.405	4.054	70	40	HIIB	
Cc1ccc(C)c([C@@H](C)NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c1	218746506	FRIGTGKINAGPFE-HXUWFJFHSA-N	416.587	4.344	70	40	HIIB	
CC[C@H](NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)cc1C	218370701	UKHKKHARGNOUSX-UGKGYDQZSA-N	416.587	4.342	70	40	HIIB	
Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C	218555324	UCDCGICGVAKNLJ-DLBZAZTESA-N	422.978	4.297	70	40	HIIB	
CSc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(N2CCN(C)CC2)n1	216851840	CHQLHXCKIUAWPO-UHFFFAOYSA-N	417.888	4.366	70	40	HIIB	
Cc1ccc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1Cl	218467856	ADHUHBSRFHMKII-LBPRGKRZSA-N	401.315	4.095	70	40	HIIB	
COc1ccc(-c2noc(CNC(=O)[C@@H](C)Sc3ccc(Cl)cc3)n2)cc1	217994433	RCAHUAMJMCCEMG-GFCCVEGCSA-N	403.891	4.196	70	40	HIIB	
C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	218471138	UWSSHXRYGUZAQS-NSHDSACASA-N	420.840	4.152	70	40	HIIB	
O=C(Cc1ccc(Cl)cc1)NCc1nc(-c2cccc(Br)c2)no1	218531365	JNCXPSMDPIMSCF-UHFFFAOYSA-N	406.667	4.011	70	40	HIIB	
COc1ccc(OC[C@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1	218195899	CUFMXWPQXSWTIL-AWEZNQCLSA-N	424.360	4.275	70	40	HIIB	
Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1	218552927	ATQKGNLWIPOKRC-DLBZAZTESA-N	422.978	4.297	70	40	HIIB	
CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	217028631	KTQCOSPYQGKJRJ-QHCPKHFHSA-N	410.558	4.250	70	40	HIIB	
Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1	218504513	HNZQRPYFVCSBDA-LJQANCHMSA-N	414.571	4.277	70	40	HIIB	
C[Si](C)(C)O[Si](O[Si](Cl)Cl)(O[Si](C)(C)C)O[Si](C)(C)C	207100152	NVKJMHURVBOJHP-UHFFFAOYSA-N	410.647	4.456	70	40	HIIB	
CN1CCC(Oc2ccc(CNC(=O)CSCc3ccccc3Cl)cc2)CC1	216928852	XDSLKYGWPUXANZ-UHFFFAOYSA-N	418.990	4.363	70	40	HIIB	
O=C1C[C@H](N2CCc3c([nH]c4ccccc34)[C@@H]2c2ccccc2)C(=O)N1c1ccccc1	217813296	YVZRKSJKOBBHGS-OZXSUGGESA-N	421.500	4.448	70	40	HIIB	
Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C	218555237	UCDCGICGVAKNLJ-IAGOWNOFSA-N	422.978	4.297	70	40	HIIB	
CN1CCC(Oc2ccc(CNC(=O)COc3ccc(C(C)(C)C)cc3)cc2)CC1	217011229	FHRYMSBAJOTOSM-UHFFFAOYSA-N	410.558	4.152	70	40	HIIB	
COc1ccc(-c2noc(CN(C)C(=O)CSCc3ccc(Cl)cc3)n2)cc1	218046447	IYRHFTXRLASTJX-UHFFFAOYSA-N	417.918	4.290	70	40	HIIB	
CCOc1ccc(NC(=O)c2ccc(Br)cc2)cc1S(=O)(=O)Cl	95698362	SHXARFFCJUDZIJ-UHFFFAOYSA-N	418.696	4.028	70	40	HIIB	
Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3cc(-c4ccco4)on3)C2)n1	217825863	JUWBXTGUZWIUIE-MRXNPFEDSA-N	418.453	4.388	70	40	HIIB	
CCc1cccc(CC)c1NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O	218470237	VDSVWIRAQYBLRR-CQSZACIVSA-N	408.951	4.258	70	40	HIIB	
CSc1nc(Nc2ccc(Oc3ccccc3)cc2)cc(N2CCN(C)CC2)n1	216852129	VSBSBVDGTMBDIX-UHFFFAOYSA-N	407.543	4.486	70	40	HIIB	
CSc1nc(Nc2ccccc2Oc2ccccc2)cc(N2CCN(C)CC2)n1	216852754	HIOJTKBUDYDEDN-UHFFFAOYSA-N	407.543	4.486	70	40	HIIB	
Cc1cccc(CC(=O)N2CCC(N3CCC[C@H]3COCc3ccccc3)CC2)c1	217596222	QOILYUDVIUFGRQ-VWLOTQADSA-N	406.570	4.210	70	40	HIIB