smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccc(Cl)cc1	218673543	XKIOPRHCHULQGK-ZDUSSCGKSA-N	352.261	4.510	70	40	FJIB	
Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)CC(C)(C)O2	218677407	VFNXYYKVPIOSIB-KDOFPFPSSA-N	373.880	4.834	70	40	FJIB	
CCc1ccccc1-n1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)c1	216674760	FWTLYOZEMLVQFY-QFIPXVFZSA-N	362.498	4.814	70	40	FJIB	
Cc1ccc2c(c1)[C@H](NC(=O)CSCc1ccccc1C)CC(C)(C)O2	218016854	ORMYWWUGAXKOMM-LJQANCHMSA-N	369.530	4.955	70	40	FJIB	
O=S(=O)(Oc1cccc(S(F)(F)(F)(F)F)c1)C(F)(F)F	103625291	QWGHRSSPBNMEIN-UHFFFAOYSA-N	352.224	4.572	70	40	FJIB	
Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	218665975	RMLXRDSKVIFJCI-ZWKOTPCHSA-N	369.505	4.644	70	40	FJIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCSc1ccccc1	218082409	UXCJSASOLRHPKL-GOSISDBHSA-N	371.502	4.596	70	40	FJIB	
O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1cccc(-c2nccs2)c1	100041636	KABJROAOKPFXDL-UHFFFAOYSA-N	371.286	4.725	70	40	FJIB	
Cc1ccc(CSCC(=O)NCCCc2ccc(OC(C)C)cc2)cc1	218021738	WWZGGWDTFXARMN-UHFFFAOYSA-N	371.546	4.764	70	40	FJIB	
Cc1ccc(OC[C@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1	218540408	FXQWTXQHFNYGOM-SFHVURJKSA-N	353.506	4.809	70	40	FJIB	
CC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(OC)c(OC)c1	217860047	SKLWXSCPAXXWKM-GOSISDBHSA-N	355.478	4.882	70	40	FJIB	
Cc1ccc(CSCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1	218023249	PEECPMCPOMXUAU-LJQANCHMSA-N	369.530	4.955	70	40	FJIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccccc1C	218017047	FQMNSXPRXOCGSI-LJQANCHMSA-N	369.530	4.955	70	40	FJIB	
CCOc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccc(C)cc2)c1	216739256	JWBWPLXTYLCCDR-QHCPKHFHSA-N	362.473	4.715	70	40	FJIB	
COC(=O)c1cccc(NC(=O)c2cc3c(ccc4ccccc43)o2)c1C	218494939	AEIQWOIVMKDTNO-UHFFFAOYSA-N	359.381	4.933	70	40	FJIB	
Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Sc1ccccc1)CC(C)(C)O2	218058891	VKEPBONRLGUJJN-CRAIPNDOSA-N	355.503	4.894	70	40	FJIB	
COc1cccc([C@@H]2SCCN2C(=O)c2cccc(C(F)(F)F)c2)c1	217637986	BEFNIEQBTVJCQJ-KRWDZBQOSA-N	367.392	4.602	70	40	FJIB	
CC(C)Oc1cccc(CNC(=O)CCCOc2ccc(Cl)cc2)c1	218734752	LZSJNNRENYUULN-UHFFFAOYSA-N	361.869	4.603	70	40	FJIB	
COc1ccc2c(c1)[C@H](NC(=O)CSc1ccc(C)cc1)CC(C)(C)O2	217977856	CTTOIARBMFMGEA-GOSISDBHSA-N	371.502	4.514	70	40	FJIB	
O=[N+]([O-])c1ccc(/C=C/C=C/c2ccc(S(=O)(=O)F)cc2)c(Cl)c1	100354539	LNHBCOQQQBFIJA-ZPUQHVIOSA-N	367.785	4.633	70	40	FJIB	
CCOc1ccc(-n2ccc([C@H]3OCCN3c3ccc(CC)cc3)c2)cc1	216730284	YVWVGZXSGAZAFK-HSZRJFAPSA-N	362.473	4.974	70	40	FJIB	
Cc1ccccc1OC[C@@H](C)NC(=O)CCSc1ccc(Cl)cc1	218088133	GLERIZDABLXNQN-OAHLLOKOSA-N	363.910	4.714	70	40	FJIB	
CCOc1ccc(-n2ccc([C@@H]3OCCN3Cc3cccc(C)c3)c2)cc1	216741171	NYDACNSGACNXFH-QHCPKHFHSA-N	362.473	4.715	70	40	FJIB	
COC(=O)c1cn(C(=O)COc2cc(C)ccc2C(C)C)c2ccccc12	218739850	UOZWHFMISDSYOJ-UHFFFAOYSA-N	365.429	4.579	70	40	FJIB	
CC(C)Oc1ccc(CCCNC(=O)/C=C/c2ccccc2Cl)cc1	217900327	HFLSJXYWPXNNNV-SDNWHVSQSA-N	357.881	4.889	70	40	FJIB	
COc1ccccc1/C=C/C(=O)Nc1ccccc1C(=O)c1ccccc1	217965524	YIWBMNBPTQPLED-FOCLMDBBSA-N	357.409	4.578	70	40	FJIB	
Cc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1Br)CC(C)(C)O2	218221715	YLBZCHPEDAJXBH-INIZCTEOSA-N	374.278	4.790	70	40	FJIB	
C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccc(Cl)cc1	218673470	XKIOPRHCHULQGK-CYBMUJFWSA-N	352.261	4.510	70	40	FJIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Sc1ccccc1	218059717	MPTNMEJDFWBHBO-KDOFPFPSSA-N	371.502	4.594	70	40	FJIB	
Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccccc1)CC(C)(C)O2	218010265	ZXVKEFPJJCCVHR-SFHVURJKSA-N	355.503	4.647	70	40	FJIB	
COc1ccc(CN2CCO[C@H]2c2ccn(-c3ccccc3Cl)c2)cc1	216743065	XMWTYWXGMZDOOC-NRFANRHFSA-N	368.864	4.670	70	40	FJIB	
O=C(NCCCN1CCCc2ccccc21)c1ccc(Cl)cc1Cl	217857513	DOBZRYDAEYXTCP-UHFFFAOYSA-N	363.288	4.566	70	40	FJIB	
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21	218675543	IXKRQVSQKXFYEN-DYVFJYSZSA-N	359.853	4.526	70	40	FJIB	
COc1cccc2cc(C(=O)N[C@@H]3CC(C)(C)Oc4ccc(C)cc43)oc12	218616887	XMOMMZMMEBAKKX-MRXNPFEDSA-N	365.429	4.782	70	40	FJIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCSc1ccccc1	218081923	JGRQAHVITBPXIY-SFHVURJKSA-N	355.503	4.896	70	40	FJIB	
FC(F)(F)c1ccccc1-n1ccc([C@H]2OCCN2Cc2ccco2)c1	216747214	FOPAUXSOGZWPFB-GOSISDBHSA-N	362.351	4.620	70	40	FJIB	
Cc1ccc(C(C)C)c(OCCSc2nnc3[nH]c4ccccc4n23)c1	218251541	ZHAQUFIPSVEYLE-UHFFFAOYSA-N	366.490	4.814	70	40	FJIB	
Cc1ccc(OCCCC(=O)NCCCc2ccc(OC(C)C)cc2)cc1	218730368	NWWZLKBMMGNOEG-UHFFFAOYSA-N	369.505	4.690	70	40	FJIB	
O=[N+]([O-])c1ccc(/C=C/C=C/c2ccc(S(=O)(=O)F)cc2Cl)cc1	104170495	ITZKBXNKNZNQAD-ZPUQHVIOSA-N	367.785	4.633	70	40	FJIB	
CC(C)NC(=O)c1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1	218100505	UDBCLKYPPWHXCP-HMMYKYKNSA-N	374.440	4.597	70	40	FJIB	
COc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	218663274	XYBJSICKUNUPRS-QGZVFWFLSA-N	369.505	4.509	70	40	FJIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccc(Cl)cc1	218677905	CCNZQDYBJPVDNE-KSSFIOAISA-N	373.880	4.834	70	40	FJIB	
Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1	218666417	HBLBFGOYOMPJCT-MSOLQXFVSA-N	369.505	4.644	70	40	FJIB	
O=[N+]([O-])c1ccc(/C=C\C=C/c2ccc(S(=O)(=O)F)cc2)c(Cl)c1	100354529	LNHBCOQQQBFIJA-CCAGOZQPSA-N	367.785	4.633	70	40	FJIB	
CCOc1cccc(-n2ccc([C@@H]3OCCN3Cc3ccc(C)cc3)c2)c1	216739373	QMQLJAFXQWZFCF-QHCPKHFHSA-N	362.473	4.715	70	40	FJIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C=C/c1ccccc1Cl	217902346	WMHBUIOHCHQRAB-VEGGFIAOSA-N	371.864	4.780	70	40	FJIB	
O=C(CSCc1ccccc1Cl)NCCCc1ccccc1Cl	218027795	QLXSMKGEOMTOME-UHFFFAOYSA-N	368.329	4.976	70	40	FJIB	
Cc1ccc2c(c1)[C@H](NC(=O)CCCOc1ccccc1)CC(C)(C)O2	218726903	DZJUWSVRRXMUJQ-LJQANCHMSA-N	353.462	4.573	70	40	FJIB	
O=C(CSCc1ccc(Cl)cc1)NCCCc1ccc(Cl)cc1	218041502	GHIPGGNPLWQXOX-UHFFFAOYSA-N	368.329	4.976	70	40	FJIB	
CC[C@H](NC(=O)CCCOc1ccc(OC)cc1)c1ccc(C)cc1C	218742084	KIVVQJKGNHZTFS-NRFANRHFSA-N	355.478	4.739	70	40	FJIB	
CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@@H](c3ccccc3)[C@@H]1[C@H]2C	217604652	YMUARTGNUFZVFK-SRVURFJDSA-N	357.494	4.727	70	40	FJIB	
COc1cccc(CCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1	217986820	VVYAQFDNQHERBP-CQSZACIVSA-N	363.910	4.578	70	40	FJIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccc(Cl)cc1	218677753	CCNZQDYBJPVDNE-KDOFPFPSSA-N	373.880	4.834	70	40	FJIB	
COc1cccc(CCCNC(=O)CCSc2ccc(Cl)cc2)c1	218086799	VUWVALREOBYSHM-UHFFFAOYSA-N	363.910	4.580	70	40	FJIB	
CC(C)Oc1ccc(CCCNC(=O)/C=C/c2ccc(Cl)cc2)cc1	217958751	SKYHZWCBCKISHF-NTEUORMPSA-N	357.881	4.889	70	40	FJIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(Br)cc1	217869721	HJKUFTDWTGQUTL-INIZCTEOSA-N	374.278	4.790	70	40	FJIB	
Cc1ccc(OC[C@@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1	218540324	FXQWTXQHFNYGOM-GOSISDBHSA-N	353.506	4.809	70	40	FJIB	
CC(C)Oc1ccc(CCCNC(=O)[C@@H](C)SCc2ccccc2)cc1	218067689	HXNFLLUWUFCBMZ-GOSISDBHSA-N	371.546	4.845	70	40	FJIB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCCc1ccc(C(C)C)cc1	218761299	QEWYUYAUVGCLAB-QFIPXVFZSA-N	369.505	4.725	70	40	FJIB	
Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)c1	218685148	MFVOMXNKNFDDDA-QGZVFWFLSA-N	359.425	4.632	70	40	FJIB	
O=[N+]([O-])c1ccc(/C=C\C=C\c2ccc(S(=O)(=O)F)cc2)c(Cl)c1	100354532	LNHBCOQQQBFIJA-TZFCGSKZSA-N	367.785	4.633	70	40	FJIB	
CCSc1ccccc1C(=O)Nc1ccc(OC2CCN(C)CC2)cc1	217036782	PPZCFJJATUXZCO-UHFFFAOYSA-N	370.518	4.524	70	40	FJIB	
Brc1ccc(-n2ccc([C@H]3OCCN3c3ccccc3)c2)cc1	216710911	QQKXRELAKKXINB-LJQANCHMSA-N	369.262	4.775	70	40	FJIB	
Cc1cccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3Cl)c2)c1	216739955	DPSLSCMKCAXTGP-OAQYLSRUSA-N	352.865	4.970	70	40	FJIB	
Cc1ccccc1OC[C@H](C)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1	217952577	BZFZWOXDRBNIRN-XOVFHRFOSA-N	351.490	4.889	70	40	FJIB	
CC[C@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(C)cc1C	218319622	CQCDCSXWTFJNFE-FQEVSTJZSA-N	372.468	4.684	70	40	FJIB	
Cc1ccc(OCCCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1	218731718	KHIGRHOUWRQRQN-HXUWFJFHSA-N	367.489	4.881	70	40	FJIB	
CCOc1ccc(CCCNC(=O)[C@H](C)Sc2ccc(C)cc2)cc1	218138462	VCGALSVXEMGCCY-KRWDZBQOSA-N	357.519	4.623	70	40	FJIB	
O=C(COc1ccc(Cl)cc1Cl)NCCCc1ccc(Cl)cc1	217834574	JQISHLHBIRXSTO-UHFFFAOYSA-N	372.679	4.775	70	40	FJIB	
O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(-c2cccs2)nc1	100047391	UYAXHNWJTLZXTM-UHFFFAOYSA-N	371.286	4.725	70	40	FJIB	
Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccccc1C)CC(C)(C)O2	218016758	ORMYWWUGAXKOMM-IBGZPJMESA-N	369.530	4.955	70	40	FJIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSc1ccc(C)cc1	217977958	BFIPGFYFBQESMX-SFHVURJKSA-N	371.502	4.514	70	40	FJIB	
COc1cccc(CCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1	217950896	JLJGEJAASWPVSZ-NTCAYCPXSA-N	351.490	4.755	70	40	FJIB	
Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)c1	218685068	MFVOMXNKNFDDDA-KRWDZBQOSA-N	359.425	4.632	70	40	FJIB	
CCc1ccccc1-n1ccc([C@H]2SCC(=O)N2Cc2ccccc2)c1	216674811	FWTLYOZEMLVQFY-JOCHJYFZSA-N	362.498	4.814	70	40	FJIB	
O=C(Nc1cccs1)N1CCS[C@@H]1c1ccc(OC(F)(F)F)cc1	217644242	YKQQALGJXIOGTC-CYBMUJFWSA-N	374.409	4.926	70	40	FJIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccc(Cl)cc1	218677988	CCNZQDYBJPVDNE-KBXCAEBGSA-N	373.880	4.834	70	40	FJIB	
COc1ccc(CCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1	217951004	VUKLYWBKXGUFMJ-LFIBNONCSA-N	351.490	4.755	70	40	FJIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCCOc1ccccc1	218727001	GNWUUEPLSSNKBG-IBGZPJMESA-N	353.462	4.573	70	40	FJIB	
CCCOc1ccccc1CCCNC(=O)[C@@H](C)Sc1ccccc1	218057656	ZGRYATDKJAALMM-QGZVFWFLSA-N	357.519	4.705	70	40	FJIB	
COc1ccc(CCCNC(=O)CCSc2ccc(Cl)cc2)cc1	218086907	GUGUGWDMTAIUSG-UHFFFAOYSA-N	363.910	4.580	70	40	FJIB	
CC1(C)C[C@@H](NC(=O)CSc2ccc(Cl)cc2)c2ccccc2O1	217981205	WIWHDGDDDSSNAS-MRXNPFEDSA-N	361.894	4.851	70	40	FJIB	
COc1cccc2cc(C(=O)NCCCc3cccc(OC(C)C)c3)oc12	218615446	KJHLCTSGYMTDDN-UHFFFAOYSA-N	367.445	4.591	70	40	FJIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(Br)cc1	217869783	HJKUFTDWTGQUTL-MRXNPFEDSA-N	374.278	4.790	70	40	FJIB	
O=C(NCc1nc(-c2ccccc2)no1)c1cc2c(ccc3ccccc32)o1	218500736	JJKQUTYKJNSKCD-UHFFFAOYSA-N	369.380	4.566	70	40	FJIB	
O=C(Cc1c(F)cccc1Cl)NCC1(c2ccsc2)CCCC1	217582613	NWVYJHILHYKCLI-UHFFFAOYSA-N	351.874	4.711	70	40	FJIB	
COc1ccc(CSCC(=O)Nc2ccc(OC3CCCC3)cc2)cc1	218113881	FLGHJUGFBYJKLB-UHFFFAOYSA-N	371.502	4.889	70	40	FJIB	
O=C1CS[C@@H](c2ccn(-c3cccc(Cl)c3)c2)N1Cc1ccccc1	216673275	RYZOZLNFFMLCLA-FQEVSTJZSA-N	368.889	4.905	70	40	FJIB	
Cc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1	217952752	KLJXKHOOMZKLBV-KAPURRDVSA-N	351.490	4.889	70	40	FJIB	
CC(C)Oc1cccc(CCCNC(=O)[C@H](C)Sc2ccccc2)c1	218056812	FYCSHYIFEQHHMS-KRWDZBQOSA-N	357.519	4.703	70	40	FJIB	
COc1ccc(OCCCC(=O)Nc2ccc(OC3CCCC3)cc2)cc1	218740479	VWTWWZIDQDSXSG-UHFFFAOYSA-N	369.461	4.814	70	40	FJIB	
CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(OC)cc1)c1ccc(C)c(C)c1	218758732	WGYPIQCYQURJRE-LEWJYISDSA-N	355.478	4.737	70	40	FJIB	
Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1	217989873	HIAZORGQCOACRV-CABCVRRESA-N	363.910	4.713	70	40	FJIB	
CC[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(OC)c(OC)c1	217961147	IZLAGKHJGVLIKK-CRVDFBCUSA-N	359.853	4.638	70	40	FJIB	
Cc1ccc(S[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1	218138026	MOKAYDGRBFWUPG-MAUKXSAKSA-N	355.503	4.894	70	40	FJIB	
Cc1ccccc1CSCC(=O)N[C@H]1CC(C)(C)Oc2ccccc21	218015537	YDLFRIVYVCXJHQ-SFHVURJKSA-N	355.503	4.647	70	40	FJIB	
CC[C@@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(OC)c(OC)c1	218072358	UCWWMPCIPWMSCZ-CRAIPNDOSA-N	373.518	4.593	70	40	FJIB	
CCCOc1ccccc1CCCNC(=O)[C@@H](C)SCc1ccccc1	218068556	AIMRANSIHSNIEQ-GOSISDBHSA-N	371.546	4.846	70	40	FJIB	
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1ccc(F)cc1	218663160	XWLXSIYLHTYTGV-INIZCTEOSA-N	357.469	4.640	70	40	FJIB	
FC(F)(F)c1cccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)c1	216746486	DCMMTECXLANNBU-SFHVURJKSA-N	362.351	4.620	70	40	FJIB	
COc1cccc2cc(C(=O)NCCCc3ccc(OC(C)C)cc3)oc12	218615561	XKMPAUAFYHTFBP-UHFFFAOYSA-N	367.445	4.591	70	40	FJIB	
CCOc1ccccc1-n1ccc([C@H]2OCCN2Cc2cccc(C)c2)c1	216742404	LVQZXAXTXKDUSI-HSZRJFAPSA-N	362.473	4.715	70	40	FJIB	
Cc1ccc(OCCCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1	218730619	TUWPVPSDJASWCB-IBGZPJMESA-N	353.462	4.573	70	40	FJIB	
O=C(c1cccs1)N1CCS[C@H]1c1ccc(OC(F)(F)F)cc1	217643547	CASSWAJYYZHTPZ-AWEZNQCLSA-N	359.394	4.535	70	40	FJIB	
CCOc1cccc(-n2ccc([C@H]3OCCN3c3ccc(F)cc3)c2)c1	216733807	BHPYXGOWISZAGQ-OAQYLSRUSA-N	352.409	4.551	70	40	FJIB	
C[C@](O)(CNC(=O)CCc1cccc(Cl)c1)c1cc2ccccc2s1	217507701	STCAITJHCIXEMZ-FQEVSTJZSA-N	373.905	4.511	70	40	FJIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C=C/c1ccc(Cl)cc1	217960544	LATUFEHDUZPXQE-QKIXSCASSA-N	371.864	4.780	70	40	FJIB	
O=C(CSc1ccc(Cl)cc1)NCCCc1ccccc1Cl	217980071	VXXIUICTQWARNC-UHFFFAOYSA-N	354.302	4.835	70	40	FJIB	
Cc1ccc(OC[C@H](C)NC(=O)CCSc2ccc(Cl)cc2)cc1	218088416	ANLVIAPCJWGPGS-HNNXBMFYSA-N	363.910	4.714	70	40	FJIB	
CCSc1ccccc1C(=O)NC[C@@](C)(O)c1cc2ccccc2s1	217503457	TURASDXGDHEWIK-HXUWFJFHSA-N	371.527	4.651	70	40	FJIB	
CC(C)Oc1cccc(CCCNC(=O)[C@H](C)SCc2ccccc2)c1	218067578	ZONDXRQFDWEMGJ-SFHVURJKSA-N	371.546	4.845	70	40	FJIB	
O=C(c1cc2c(ccc3ccccc32)o1)N1CCN(c2ccccc2F)CC1	218494402	CCZHXMCMGSNANY-UHFFFAOYSA-N	374.415	4.688	70	40	FJIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccc(Cl)cc1	218677830	CCNZQDYBJPVDNE-RDTXWAMCSA-N	373.880	4.834	70	40	FJIB	
COc1cc2c(cc1OC)C([C@@]13C[C@@H]4C[C@@H](C[C@@](Cl)(C4)C1)C3)=NCC2	217373040	JZAAMTICFFUNDT-HVEVLSQBSA-N	359.897	4.627	70	40	FJIB	
CC[C@H](NC(=O)CSCc1ccc(OC)cc1)c1ccc(C)c(C)c1	218116299	ZKVAIVWZYXTOPM-FQEVSTJZSA-N	357.519	4.813	70	40	FJIB	
C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21	218675616	IXKRQVSQKXFYEN-GUYCJALGSA-N	359.853	4.526	70	40	FJIB	
CC(C)Oc1ccc(CCCNC(=O)[C@H](C)Sc2ccccc2)cc1	218056972	HBPAOPKMCPMWEE-KRWDZBQOSA-N	357.519	4.703	70	40	FJIB	
CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](CC)c1ccc(C)c(C)c1	218758686	WGYPIQCYQURJRE-NHCUHLMSSA-N	355.478	4.737	70	40	FJIB	
Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Sc1ccccc1)CC(C)(C)O2	218058944	VKEPBONRLGUJJN-YJBOKZPZSA-N	355.503	4.894	70	40	FJIB	
CN1CCC(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)CC1	216895589	YJTKPVSHFQVTDM-UHFFFAOYSA-N	358.869	4.803	70	40	FJIB	
Cc1[nH]c2ccccc2c(=O)c1CN(C(=O)c1ccccc1)c1ccccc1	217429423	DIBOHROSPBAZDH-UHFFFAOYSA-N	368.436	4.684	70	40	FJIB	
COc1ccc(Cl)cc1NC(=O)NC[C@H](OC)c1ccccc1Cl	218356953	VQSUBXDSXPORFG-INIZCTEOSA-N	369.248	4.511	70	40	FJIB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](CC)c1ccc(C)cc1C	218759037	WHSZALVCOBVWNR-SFTDATJTSA-N	355.478	4.737	70	40	FJIB	
O=C(Nc1cccs1)N1CCS[C@H]1c1ccc(OC(F)(F)F)cc1	217644360	YKQQALGJXIOGTC-ZDUSSCGKSA-N	374.409	4.926	70	40	FJIB	
CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@H](c3ccccc3)[C@@H]1[C@H]2C	217604592	YMUARTGNUFZVFK-HFKUYRRBSA-N	357.494	4.727	70	40	FJIB	
CCOc1ccc(-n2ccc([C@H]3OCCN3Cc3ccc(C)cc3)c2)cc1	216738505	XKCALWOMYMWNIW-HSZRJFAPSA-N	362.473	4.715	70	40	FJIB	
Cc1ccc(CN2CCO[C@H]2c2ccn(-c3ccccc3Cl)c2)cc1	216737216	KBYDZCIURXWSCF-NRFANRHFSA-N	352.865	4.970	70	40	FJIB	
Cc1cccc(CN2CCO[C@@H]2c2ccn(-c3ccc(Cl)cc3)c2)c1	216740198	FSNYTEMJDQDFEH-OAQYLSRUSA-N	352.865	4.970	70	40	FJIB	
CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCCc1ccc(C(C)C)cc1	218761258	QEWYUYAUVGCLAB-JOCHJYFZSA-N	369.505	4.725	70	40	FJIB	
CC[C@H](NC(=O)CCCOc1ccc(OC)cc1)c1ccc(C)c(C)c1	218741954	QVFRNAXMITYUQR-NRFANRHFSA-N	355.478	4.739	70	40	FJIB	
COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1	217917663	UFTQRKQYFJHJOG-DTQAZKPQSA-N	357.409	4.578	70	40	FJIB	
CCOc1ccc(CNC(=O)[C@H](C)Sc2ccc(C)cc2)cc1OCC	218135229	ODUUWNLBQPRMPO-INIZCTEOSA-N	373.518	4.589	70	40	FJIB	
COc1ccc2cc(-c3nnc(-c4ccc(Cl)cc4)o3)c(C)nc2c1	216665124	PHKHZCGFFRYNFU-UHFFFAOYSA-N	351.793	4.922	70	40	FJIB	
Brc1ccc(-n2ccc([C@@H]3OCCN3c3ccccc3)c2)cc1	216710866	QQKXRELAKKXINB-IBGZPJMESA-N	369.262	4.775	70	40	FJIB	
Cc1ccc(SCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1	217977675	ADOURXCOZHKUHN-SFHVURJKSA-N	355.503	4.814	70	40	FJIB	
COc1cccc(CCCNC(=O)/C(=C/c2ccco2)c2ccccc2)c1	218102488	SYHVRMVSEWNTAA-OQKWZONESA-N	361.441	4.578	70	40	FJIB	
FC(F)(F)c1ccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)cc1	216747280	XCFXCKQCJJQFKE-SFHVURJKSA-N	362.351	4.620	70	40	FJIB	
CCOc1ccc(CNC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1OCC	218135154	ODUUWNLBQPRMPO-MRXNPFEDSA-N	373.518	4.589	70	40	FJIB	
CCOc1ccccc1-n1ccc([C@@H]2OCCN2c2ccc(F)cc2)c1	216733655	ZMSAKKFJORNVSX-NRFANRHFSA-N	352.409	4.551	70	40	FJIB	
COc1cc(CNC(=O)[C@H](C)Sc2ccc(C)cc2)ccc1OC(C)C	218135426	GMUZGPPBHFDMKT-INIZCTEOSA-N	373.518	4.588	70	40	FJIB	
CC[C@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccc(OC)c(OC)c1	218072608	UCWWMPCIPWMSCZ-YJBOKZPZSA-N	373.518	4.593	70	40	FJIB	
CCOc1cccc(-n2ccc([C@@H]3OCCN3c3ccc(F)cc3)c2)c1	216733756	BHPYXGOWISZAGQ-NRFANRHFSA-N	352.409	4.551	70	40	FJIB	
CC[C@@H](NC(=O)CSCc1ccccc1C)c1ccc(OC)c(OC)c1	218018120	DECSXDBIWSXVPS-GOSISDBHSA-N	373.518	4.513	70	40	FJIB	
COc1ccc(OC[C@@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1	218539080	YUUHRAZZMYQYHQ-QGZVFWFLSA-N	369.505	4.509	70	40	FJIB	
CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(OC2CCCC2)cc1	218756411	IACORABGSUXVLY-OAQYLSRUSA-N	369.461	4.813	70	40	FJIB	
CC(C)c1ccc(CCCNC(=O)c2ccc(Br)cc2)cc1	217871393	LKTSXJRLQPITEH-UHFFFAOYSA-N	360.295	4.935	70	40	FJIB	
Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1Br)CC(C)(C)O2	218221780	YLBZCHPEDAJXBH-MRXNPFEDSA-N	374.278	4.790	70	40	FJIB	
CC(C)Oc1ccc(CCCNC(=O)[C@@H](C)Sc2ccccc2)cc1	218056900	HBPAOPKMCPMWEE-QGZVFWFLSA-N	357.519	4.703	70	40	FJIB	
O=C(CSc1ccc(Cl)cc1)NCCCc1ccc(Cl)cc1	217980184	ITFFYIUGORWPPM-UHFFFAOYSA-N	354.302	4.835	70	40	FJIB	
COc1ccccc1N1CCO[C@@H]1c1ccn(-c2ccc(Cl)cc2)c1	216721091	DFQLQQGTWFKUIJ-HXUWFJFHSA-N	354.837	4.675	70	40	FJIB	
Cc1ccc(OCCCC(=O)NCCCc2cccc(OC(C)C)c2)cc1	218730267	OZDVLRVPMKJPMD-UHFFFAOYSA-N	369.505	4.690	70	40	FJIB	
COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Sc1ccccc1)CC(C)(C)O2	218059606	OOWHHJMNJIHBMQ-KBXCAEBGSA-N	371.502	4.594	70	40	FJIB	
COc1cccc(N2CCO[C@@H]2c2ccn(-c3ccccc3Cl)c2)c1	216723519	FTWQZXIVILEHPP-HXUWFJFHSA-N	354.837	4.675	70	40	FJIB	
Cc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc2sc(N)nc12	216786936	FQIMDTMLWVYQEV-UHFFFAOYSA-N	369.490	4.502	70	40	FJIB	
Cc1ccc(SCC(=O)NCCCc2ccc(OC(C)C)cc2)cc1	217976074	VCKZPECQOFDMMB-UHFFFAOYSA-N	357.519	4.623	70	40	FJIB	
CC(C)(NC(=O)c1nn(CCCCCF)c2ccccc12)c1ccccc1	218770760	XSHGVIPHMOTDCS-UHFFFAOYSA-N	367.468	4.841	70	40	FJIB	in-vitro
CCOc1ccc(-n2ccc([C@@H]3OCCN3c3ccc(CC)cc3)c2)cc1	216730243	YVWVGZXSGAZAFK-QHCPKHFHSA-N	362.473	4.974	70	40	FJIB	
CC[C@@H](NC(=O)CCCOc1ccc(OC)cc1)c1ccc(C)c(C)c1	218741903	QVFRNAXMITYUQR-OAQYLSRUSA-N	355.478	4.739	70	40	FJIB	
CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](CC)c1ccc(C)cc1C	218758896	WHSZALVCOBVWNR-NHCUHLMSSA-N	355.478	4.737	70	40	FJIB	
COc1ccc([C@@H]2SCCN2C(=O)c2ccccc2C(F)(F)F)cc1	217628684	WLRQSWXKYFPRCQ-KRWDZBQOSA-N	367.392	4.602	70	40	FJIB	
Cc1cc(C(=O)N2CCS[C@H]2c2ccc(C(F)(F)F)cc2)c(C)o1	217630605	BUPWZWWVIKXMKK-INIZCTEOSA-N	355.381	4.803	70	40	FJIB	
COc1cccc(CCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)c1	217905146	UFZQITVJNOSLGZ-CSKARUKUSA-N	364.272	4.764	70	40	FJIB	
Cc1ccc(CSCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1	218022159	KUIYQMOMJJVJKH-SFHVURJKSA-N	355.503	4.647	70	40	FJIB	
COc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccccc1Cl)CC(C)(C)O2	217902182	LQSJSMZQVHPSQX-VEGGFIAOSA-N	371.864	4.780	70	40	FJIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1Br	218221854	YXUAYRYSNLGKEP-INIZCTEOSA-N	374.278	4.790	70	40	FJIB	
COc1ccccc1N1CCO[C@@H]1c1ccn(-c2cccc(Cl)c2)c1	216720991	KIEZYUCCZCNLCS-HXUWFJFHSA-N	354.837	4.675	70	40	FJIB	
C[C@H](SCc1ccccc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21	218068300	WFHZUFCKYNDDOF-YJBOKZPZSA-N	355.503	4.727	70	40	FJIB	
CCc1ccc(-n2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)c2)cc1	216674435	HQNZPERVDLQYMZ-QFIPXVFZSA-N	362.498	4.814	70	40	FJIB	
CCCOc1ccccc1CCCNC(=O)/C=C/c1ccccc1Cl	217900919	VKPJNDZWKMGOSO-BUHFOSPRSA-N	357.881	4.891	70	40	FJIB	
CCN(Cc1nc(-c2cccs2)no1)C(=O)/C=C/c1ccccc1Cl	217903761	SXRYTDRWRCKWKK-MDZDMXLPSA-N	373.865	4.513	70	40	FJIB	
COC(=O)c1c(C)n(C(=O)COc2ccc(C(C)C)cc2)c2ccccc12	216722740	VDUPABHCUKUBMM-UHFFFAOYSA-N	365.429	4.579	70	40	FJIB	
CC[C@@H](NC(=O)CSCc1ccc(C)cc1)c1ccc(OC)c(OC)c1	218024663	CMJICHMXTUGTBA-GOSISDBHSA-N	373.518	4.513	70	40	FJIB	
COc1ccc(CCCNC(=O)c2cc3c(ccc4ccccc43)o2)cc1	218496874	JRYGKXTVEOTXMC-UHFFFAOYSA-N	359.425	4.957	70	40	FJIB	
Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1	218666507	HBLBFGOYOMPJCT-ROUUACIJSA-N	369.505	4.644	70	40	FJIB	
CC[C@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1	218142694	WGOAOFANTXLOBP-YJBOKZPZSA-N	373.518	4.760	70	40	FJIB	
CN(CCCNC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccccc1	218544375	YBHFZGDRBWCKBU-UHFFFAOYSA-N	352.522	4.559	70	40	FJIB	
COc1ccc(/C=C/C(=O)NCCCc2ccc(C(C)C)cc2)cc1OC	217927045	RCDFZMCYHRBKFY-GXDHUFHOSA-N	367.489	4.589	70	40	FJIB	
CCOc1cccc(-n2ccc([C@@H]3OCCN3Cc3cccc(C)c3)c2)c1	216742478	YZRYYEKTSAQLLC-QHCPKHFHSA-N	362.473	4.715	70	40	FJIB	
COc1cccc2cc(C(=O)N[C@@H]3CC(C)(C)Oc4cc(C)ccc43)oc12	218617075	OLDQVERYQLIQDA-MRXNPFEDSA-N	365.429	4.782	70	40	FJIB	
O=[N+]([O-])c1ccc(/C=C/C=C\c2cccc(S(=O)(=O)F)c2)c(Cl)c1	100354571	DWXIKJQRMKNLET-FFYFFONTSA-N	367.785	4.633	70	40	FJIB	
Cn1nc(CN(C(=O)c2ccccc2Cl)C2CCCC2)cc1C1CC1	217898596	DPRBXHPRGSJTMS-UHFFFAOYSA-N	357.885	4.536	70	40	FJIB	
CC1(C)C[C@H](NC(=O)CCCOc2ccc(Cl)cc2)c2ccccc2O1	218736196	RNSVMIOIVULYFA-SFHVURJKSA-N	373.880	4.918	70	40	FJIB	
CC[C@@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(C)c(C)c1	218319332	AAVFCIVCIHBIBL-HXUWFJFHSA-N	372.468	4.684	70	40	FJIB	
CCOc1ccc(CCCNC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1	218138379	VCGALSVXEMGCCY-QGZVFWFLSA-N	357.519	4.623	70	40	FJIB	
O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCCC[C@@H](c2ccccc2)C1	217287141	VCDMSHIZJDDILD-GOSISDBHSA-N	363.436	4.626	70	40	FJIB	
COc1ccc([C@H]2SCCN2C(=O)/C=C/c2ccccc2Cl)cc1	217628412	ITAVFAMEWQLJNA-UFUQCMIWSA-N	359.878	4.636	70	40	FJIB	
COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Sc1ccccc1)CC(C)(C)O2	218059524	OOWHHJMNJIHBMQ-KSSFIOAISA-N	371.502	4.594	70	40	FJIB	
COc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1	217951105	AGAGSYFFPHFNSY-YBYKNVHQSA-N	367.489	4.590	70	40	FJIB	
CCc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccc(OC)cc3)c2)cc1	216744367	KLPHNYJYFAHUAI-QHCPKHFHSA-N	362.473	4.579	70	40	FJIB	
C[C@@](O)(CNC(=O)Nc1ccccc1Cl)c1cc2ccccc2s1	217522145	AXPBADGWAPQZJE-GOSISDBHSA-N	360.866	4.584	70	40	FJIB	
CCOc1cccc(-n2ccc([C@H]3OCCN3Cc3ccc(C)cc3)c2)c1	216739416	QMQLJAFXQWZFCF-HSZRJFAPSA-N	362.473	4.715	70	40	FJIB	
Cc1ccc(OC[C@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1	218104393	VAAUDVCSLRKRPV-LUJYGJGBSA-N	361.441	4.712	70	40	FJIB	
CC[C@@H](NC(=O)CCCOc1ccc(OC)cc1)c1ccc(C)cc1C	218742028	KIVVQJKGNHZTFS-OAQYLSRUSA-N	355.478	4.739	70	40	FJIB	
CCOc1ccc(CCCNC(=O)CSc2ccc(Cl)cc2)cc1	217981391	NTFKBNBPVIUYCJ-UHFFFAOYSA-N	363.910	4.580	70	40	FJIB	
COc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1	218663355	XYBJSICKUNUPRS-KRWDZBQOSA-N	369.505	4.509	70	40	FJIB	
Fc1ccccc1C=P(c1ccccc1)(c1ccccc1)c1ccccc1	100013650	XBJCAFTXCOSRQR-UHFFFAOYSA-N	370.407	4.970	70	40	FJIB	
FC(F)(F)c1ccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)cc1	216747319	XCFXCKQCJJQFKE-GOSISDBHSA-N	362.351	4.620	70	40	FJIB	
CC[C@@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1	218142617	WGOAOFANTXLOBP-MAUKXSAKSA-N	373.518	4.760	70	40	FJIB	
O=C(CSCc1ccccc1)Nc1ccccc1C(=O)c1ccccc1	218008629	WSYDYPHWAMIAQP-UHFFFAOYSA-N	361.466	4.790	70	40	FJIB	
CC(C)c1ccc(CCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1	218683055	ZSFUZNMKOALHQD-INIZCTEOSA-N	359.897	4.980	70	40	FJIB	
O=C(CCCOc1ccc(Cl)cc1)NCCCc1ccccc1Cl	218735169	NKOJZHIRFMHKMH-UHFFFAOYSA-N	366.288	4.901	70	40	FJIB	
COC(=O)c1ccc(CNc2ccc(Br)c(Cl)c2)cc1	218006833	UCNPFBURSVSKTH-UHFFFAOYSA-N	354.631	4.501	70	40	FJIB	
CC[C@H](NC(=O)CSCc1ccccc1C)c1ccc(OC)c(OC)c1	218018204	DECSXDBIWSXVPS-SFHVURJKSA-N	373.518	4.513	70	40	FJIB	
CB1N(c2ccccc2)B(C)N(c2ccccc2)B(C)N1c1ccccc1	195770875	WTZFKDBDCUIMEF-UHFFFAOYSA-N	350.880	4.874	70	40	FJIB	
CCOc1ccc(-n2ccc([C@@H]3OCCN3c3ccc(F)cc3)c2)cc1	216732898	GWDKWWMHAINLRQ-NRFANRHFSA-N	352.409	4.551	70	40	FJIB	
Cc1ccc(CSCC(=O)NCCCc2cccc(OC(C)C)c2)cc1	218021620	BFPUBPMWEUKRAX-UHFFFAOYSA-N	371.546	4.764	70	40	FJIB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](CC)c1ccc(C)c(C)c1	218758824	WGYPIQCYQURJRE-SFTDATJTSA-N	355.478	4.737	70	40	FJIB	
Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)CC(C)(C)O2	218677570	VFNXYYKVPIOSIB-KSSFIOAISA-N	373.880	4.834	70	40	FJIB	
COc1ccccc1N1CCO[C@H]1c1ccn(-c2cccc(Cl)c2)c1	216721032	KIEZYUCCZCNLCS-FQEVSTJZSA-N	354.837	4.675	70	40	FJIB	
COc1ccc([C@H]2SCCN2C(=O)c2ccccc2C(F)(F)F)cc1	217628600	WLRQSWXKYFPRCQ-QGZVFWFLSA-N	367.392	4.602	70	40	FJIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccccc1C	218016972	FQMNSXPRXOCGSI-IBGZPJMESA-N	369.530	4.955	70	40	FJIB	
CCOC(=O)c1c(C)n(Cc2cccnc2)c2ccc(OCC(C)C)cc12	217766007	KQLSDVYLJDLRQZ-UHFFFAOYSA-N	366.461	4.605	70	40	FJIB	
C[Si]1(C)CC[Si](C)(C)N1OCCCCCCCCCCC[SiH3]	627276229	LMQPUVLMFOQNHJ-UHFFFAOYSA-N	359.779	4.938	70	40	FJIB	
O=[N+]([O-])c1ccc(/C=C\C=C\c2ccc(S(=O)(=O)F)cc2Cl)cc1	104170492	ITZKBXNKNZNQAD-HSFFGMMNSA-N	367.785	4.633	70	40	FJIB	
COc1ccc(CSCC(=O)NCCCc2ccc(C(C)C)cc2)cc1	218118697	WRHCXEZXWNSQGD-UHFFFAOYSA-N	371.546	4.801	70	40	FJIB	
CC[C@H](NC(=O)CSCc1ccc(C)cc1)c1ccc(OC)c(OC)c1	218024755	CMJICHMXTUGTBA-SFHVURJKSA-N	373.518	4.513	70	40	FJIB	
Cc1ccc(OC[C@@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1	218104312	VAAUDVCSLRKRPV-GNFOSXPUSA-N	361.441	4.712	70	40	FJIB	
Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(Br)cc1)CC(C)(C)O2	217869607	OMHCYOCVMPUKSL-MRXNPFEDSA-N	374.278	4.790	70	40	FJIB	
CCCOc1ccccc1CCCNC(=O)/C=C/c1ccc(Cl)cc1	217959266	BHLZEYHHSBXCOL-SDNWHVSQSA-N	357.881	4.891	70	40	FJIB	
Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1	217989956	HIAZORGQCOACRV-GJZGRUSLSA-N	363.910	4.713	70	40	FJIB	
CC(C)Oc1cccc(CCCNC(=O)CCSc2ccccc2)c1	218080397	PAZYWBVZQDDRTF-UHFFFAOYSA-N	357.519	4.705	70	40	FJIB	
CCOc1ccc(-n2ccc([C@H]3OCCN3Cc3cccc(C)c3)c2)cc1	216741215	NYDACNSGACNXFH-HSZRJFAPSA-N	362.473	4.715	70	40	FJIB	
CCOc1cccc(-n2ccc([C@H]3OCCN3c3ccc(CC)cc3)c2)c1	216731181	RSOUKJSQHWLUNT-HSZRJFAPSA-N	362.473	4.974	70	40	FJIB	
Cc1ccc(CN2CCO[C@H]2c2ccn(-c3ccc(Cl)cc3)c2)cc1	216737440	HUEKVDWZVAEODO-NRFANRHFSA-N	352.865	4.970	70	40	FJIB	
O=C(NCc1ccc(Cl)cc1)N1CCCC[C@@H](c2ccc(F)cc2)C1	217495011	WSPFMYOYDKJHCK-QGZVFWFLSA-N	360.860	4.958	70	40	FJIB	
CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(S(=O)(=O)Cl)nc21	224778655	FTPPLUCEFIOGKV-UHFFFAOYSA-N	372.994	4.987	70	40	FJIB	
COc1ccccc1N1CCO[C@@H]1c1ccn(-c2ccccc2Cl)c1	216720879	KVGCKEDSCDKVTJ-HXUWFJFHSA-N	354.837	4.675	70	40	FJIB	
CN1CCC(CC(=O)Nc2ccc(CSc3ccccc3)cc2)CC1	216893527	JPPSWWOPBAXPBB-UHFFFAOYSA-N	354.519	4.649	70	40	FJIB	
CC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(OC)c(OC)c1	217860128	SKLWXSCPAXXWKM-SFHVURJKSA-N	355.478	4.882	70	40	FJIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Sc1ccccc1	218059212	BARWLLPWTZZTCP-YJBOKZPZSA-N	355.503	4.894	70	40	FJIB	
Cc1ccc(SCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1	217977484	BZPCJZISXSMRMW-SFHVURJKSA-N	355.503	4.814	70	40	FJIB	
COc1cccc2cc(C(=O)N[C@H]3CC(C)(C)Oc4cc(C)ccc43)oc12	218617148	OLDQVERYQLIQDA-INIZCTEOSA-N	365.429	4.782	70	40	FJIB	
CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC(C)C)cc12	217762297	RTHJGGLJFWUCLO-UHFFFAOYSA-N	351.446	4.962	70	40	FJIB	
Cc1cc(CSc2ccccc2)ccc1NC(=O)C1CCN(C)CC1	216919976	XDTJFNLRLYVBHF-UHFFFAOYSA-N	354.519	4.568	70	40	FJIB	
COc1ccc(CCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1	217986976	IBPDTPUFPSFHNE-CQSZACIVSA-N	363.910	4.578	70	40	FJIB	
CCOc1ccc(CNC(=O)CCSc2ccc(C)cc2)cc1OCC	218146679	VQYHDCXMYBLZEH-UHFFFAOYSA-N	373.518	4.591	70	40	FJIB	
CC(C)Oc1cccc(CCCNC(=O)/C=C/c2ccc(Cl)cc2)c1	217958659	MGYUGWCXQPMDQM-JLHYYAGUSA-N	357.881	4.889	70	40	FJIB	
COc1ccc(CNc2ccc(Br)c(Cl)c2)c(OC)c1	218005773	DQMSPYCTGSEOJX-UHFFFAOYSA-N	356.647	4.732	70	40	FJIB	
COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Sc1ccccc1)CC(C)(C)O2	218059442	OOWHHJMNJIHBMQ-RDTXWAMCSA-N	371.502	4.594	70	40	FJIB	
Cc1ccc(S[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1	218138105	MOKAYDGRBFWUPG-CRAIPNDOSA-N	355.503	4.894	70	40	FJIB	
Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1	218666050	RMLXRDSKVIFJCI-MSOLQXFVSA-N	369.505	4.644	70	40	FJIB	
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	218675400	IXKRQVSQKXFYEN-CXAGYDPISA-N	359.853	4.526	70	40	FJIB	
O=[N+]([O-])c1ccc(/C=C\C=C\c2cccc(S(=O)(=O)F)c2)c(Cl)c1	100354568	DWXIKJQRMKNLET-REUFWYNESA-N	367.785	4.633	70	40	FJIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSc1ccc(C)cc1	217978039	BFIPGFYFBQESMX-GOSISDBHSA-N	371.502	4.514	70	40	FJIB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccc(F)cc1	217986535	PDUFUNUFPHKTMX-ZDUSSCGKSA-N	351.874	4.709	70	40	FJIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Sc1ccccc1	218059880	MPTNMEJDFWBHBO-KSSFIOAISA-N	371.502	4.594	70	40	FJIB	
Cc1cc(CSc2ccccc2)ccc1NC(=O)CC1CCN(C)CC1	216893585	VCEDKXBUGFSCLL-UHFFFAOYSA-N	368.546	4.958	70	40	FJIB	
Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Sc1ccccc1)CC(C)(C)O2	218059003	VKEPBONRLGUJJN-MAUKXSAKSA-N	355.503	4.894	70	40	FJIB	
CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(C)c(C)c1	217925575	RANHAHYTSAKANH-VSRDTVRMSA-N	353.462	4.601	70	40	FJIB	
COc1ccc(CN2CCO[C@@H]2c2ccn(-c3cccc(Cl)c3)c2)cc1	216743133	PSVSZDROSJKFBV-OAQYLSRUSA-N	368.864	4.670	70	40	FJIB	
O=[N+]([O-])c1cccc(/C=C/C=C\c2ccc(Cl)c(S(=O)(=O)F)c2)c1	100172694	NMACFYHPKKDSSZ-IKENXXAYSA-N	367.785	4.633	70	40	FJIB	
CC(C)c1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1	218682969	ZSFUZNMKOALHQD-MRXNPFEDSA-N	359.897	4.980	70	40	FJIB	
Cc1ccc(S[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1	218138190	MOKAYDGRBFWUPG-YJBOKZPZSA-N	355.503	4.894	70	40	FJIB	
CC(C)Oc1cccc(CNC(=O)CSCc2cccc(Cl)c2)c1	218034330	SGPWRMPVPOKTQN-UHFFFAOYSA-N	363.910	4.677	70	40	FJIB	
CCOc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccc(C)cc3)c2)cc1	216738458	XKCALWOMYMWNIW-QHCPKHFHSA-N	362.473	4.715	70	40	FJIB	
COc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccccc1Cl)CC(C)(C)O2	217902127	LQSJSMZQVHPSQX-MZEUMTGBSA-N	371.864	4.780	70	40	FJIB	
O=[N+]([O-])c1ccc(/C=C/C=C\c2ccc(S(=O)(=O)F)cc2Cl)cc1	104170487	ITZKBXNKNZNQAD-TZFCGSKZSA-N	367.785	4.633	70	40	FJIB	
Cc1ccc(SCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1	217977397	BZPCJZISXSMRMW-GOSISDBHSA-N	355.503	4.814	70	40	FJIB	
CC(C)Oc1cccc(CNC(=O)CSCc2ccccc2Cl)c1	218027176	DCVHWTHNXLSUDW-UHFFFAOYSA-N	363.910	4.677	70	40	FJIB	
CN(CCCNC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccccc1	217910161	OTMWJKMZJXLBRJ-PKNBQFBNSA-N	363.288	4.649	70	40	FJIB	
CC(C)Oc1cccc(CCCNC(=O)[C@@H](C)Sc2ccccc2)c1	218056751	FYCSHYIFEQHHMS-QGZVFWFLSA-N	357.519	4.703	70	40	FJIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Sc1ccccc1	218059273	BARWLLPWTZZTCP-MAUKXSAKSA-N	355.503	4.894	70	40	FJIB	
CCSc1ccccc1C(=O)NC[C@](C)(O)c1cc2ccccc2s1	217503366	TURASDXGDHEWIK-FQEVSTJZSA-N	371.527	4.651	70	40	FJIB	
Cc1ccccc1OC[C@@H](C)NC(=O)/C(=C/c1ccco1)c1ccccc1	218104110	XETOAHCRCKGYTM-ISPGYRLHSA-N	361.441	4.712	70	40	FJIB	
Cc1ccc(OCCCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1	218731786	KHIGRHOUWRQRQN-FQEVSTJZSA-N	367.489	4.881	70	40	FJIB	
CCOc1cccc(-n2ccc([C@H]3OCCN3Cc3cccc(C)c3)c2)c1	216742528	YZRYYEKTSAQLLC-HSZRJFAPSA-N	362.473	4.715	70	40	FJIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Sc1ccccc1	218059796	MPTNMEJDFWBHBO-RDTXWAMCSA-N	371.502	4.594	70	40	FJIB	
Brc1ccccc1-n1ccc([C@H]2OCCN2c2ccccc2)c1	216711837	BTXBPDVPNAWTKB-LJQANCHMSA-N	369.262	4.775	70	40	FJIB	
Cc1cc(O[C@@H](C)C(=O)NCCCc2ccc(F)cc2)cc(C)c1Cl	218709467	KNKJPXYXVUGJQG-HNNXBMFYSA-N	363.860	4.612	70	40	FJIB	
C[C@@H](SCc1ccccc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	218068085	WFHZUFCKYNDDOF-CRAIPNDOSA-N	355.503	4.727	70	40	FJIB	
CCc1ccc(-n2ccc([C@H]3SCC(=O)N3Cc3ccccc3)c2)cc1	216674482	HQNZPERVDLQYMZ-JOCHJYFZSA-N	362.498	4.814	70	40	FJIB	
CN1CCC[C@@H](C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)C1	216913842	HCDXQSSXIYNOKL-MRXNPFEDSA-N	374.937	4.913	70	40	FJIB	
CC[C@H](NC(=O)CCSc1ccc(C)cc1)c1ccc(OC)c(OC)c1	218150602	MIMYCRKNGMCBBX-SFHVURJKSA-N	373.518	4.762	70	40	FJIB	
Cc1ccc2c(c1)[C@@H](NC(=O)CCCOc1ccccc1)CC(C)(C)O2	218726834	DZJUWSVRRXMUJQ-IBGZPJMESA-N	353.462	4.573	70	40	FJIB	
O=C(NCc1ccc(Cl)cc1)N1CCCC[C@H](c2ccc(F)cc2)C1	217494940	WSPFMYOYDKJHCK-KRWDZBQOSA-N	360.860	4.958	70	40	FJIB	
CCCOc1ccccc1CCCNC(=O)[C@H](C)SCc1ccccc1	218068634	AIMRANSIHSNIEQ-SFHVURJKSA-N	371.546	4.846	70	40	FJIB	
Cc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccc(Cl)cc3)c2)cc1	216737392	HUEKVDWZVAEODO-OAQYLSRUSA-N	352.865	4.970	70	40	FJIB	
COc1ccc2c(c1)[C@@H](NC(=O)CSc1ccc(C)cc1)CC(C)(C)O2	217977784	CTTOIARBMFMGEA-SFHVURJKSA-N	371.502	4.514	70	40	FJIB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccc(F)cc1	217986448	PDUFUNUFPHKTMX-CYBMUJFWSA-N	351.874	4.709	70	40	FJIB	
Cc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1	217952672	KLJXKHOOMZKLBV-SPQRHKFCSA-N	351.490	4.889	70	40	FJIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccccc1	218010430	NHLXMRVJAOSBBF-SFHVURJKSA-N	355.503	4.647	70	40	FJIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Sc1ccccc1	218059975	MPTNMEJDFWBHBO-KBXCAEBGSA-N	371.502	4.594	70	40	FJIB	
CC[C@@H](NC(=O)CSCc1ccc(OC)cc1)c1ccc(C)cc1C	218116444	HTBIZBXZUJIPGK-HXUWFJFHSA-N	357.519	4.813	70	40	FJIB	
CC[C@@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1	218142466	WGOAOFANTXLOBP-CRAIPNDOSA-N	373.518	4.760	70	40	FJIB	
Cc1cccc(CN2CCO[C@H]2c2ccn(-c3ccc(Cl)cc3)c2)c1	216740248	FSNYTEMJDQDFEH-NRFANRHFSA-N	352.865	4.970	70	40	FJIB	
COc1ccc(CN2CCO[C@H]2c2ccn(-c3ccc(Cl)cc3)c2)cc1	216743292	DOKQFAUPVNGSFB-NRFANRHFSA-N	368.864	4.670	70	40	FJIB	
CCOc1ccc(CCCNC(=O)CCSc2ccc(C)cc2)cc1	218148308	RTTYVMKHNFOGKU-UHFFFAOYSA-N	357.519	4.625	70	40	FJIB	
C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	218675466	IXKRQVSQKXFYEN-SUMWQHHRSA-N	359.853	4.526	70	40	FJIB	
CC[C@@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccc(OC)c(OC)c1	218072533	UCWWMPCIPWMSCZ-MAUKXSAKSA-N	373.518	4.593	70	40	FJIB	
Cc1ccc(NC(=S)NC(=O)[C@@]23C[C@@H]4C[C@@](C)(C[C@@](C)(C4)C2)C3)cc1	217710334	YFDHSYLOSKBZMO-JSLIGUPSSA-N	356.535	4.805	70	40	FJIB	
CC(C)Oc1cccc(CCCNC(=O)[C@@H](C)SCc2ccccc2)c1	218067506	ZONDXRQFDWEMGJ-GOSISDBHSA-N	371.546	4.845	70	40	FJIB	
CCCOc1ccccc1CCCNC(=O)CCCOc1ccc(C)cc1	218730819	GGCIRSJCBFPKCD-UHFFFAOYSA-N	369.505	4.692	70	40	FJIB	
Cc1cccc(CN2CCO[C@@H]2c2ccn(-c3cccc(Cl)c3)c2)c1	216740079	ISPBELFNGUEJPL-OAQYLSRUSA-N	352.865	4.970	70	40	FJIB	
COc1ccccc1CCCNC(=O)/C=C/c1ccc(Cl)cc1Cl	217905033	SKQJJWDGSGTMFI-PKNBQFBNSA-N	364.272	4.764	70	40	FJIB	
COc1ccccc1CCCNC(=O)CCSc1ccc(Cl)cc1	218086692	LOHTYQPCYGPMRJ-UHFFFAOYSA-N	363.910	4.580	70	40	FJIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCCOc1ccccc1	218727074	GNWUUEPLSSNKBG-LJQANCHMSA-N	353.462	4.573	70	40	FJIB	
CC[C@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(C)c(C)c1	218319413	AAVFCIVCIHBIBL-FQEVSTJZSA-N	372.468	4.684	70	40	FJIB	
CC(C)Oc1cccc(CNC(=O)/C(=C/c2ccco2)c2ccccc2)c1	218101417	LCIIQLNTFPPPJK-PXLXIMEGSA-N	361.441	4.924	70	40	FJIB	
CC(C)(C)c1ccc(C(=O)NCCCN2CCCc3ccccc32)cc1	217861050	NBDZCHFBONQGKW-UHFFFAOYSA-N	350.506	4.557	70	40	FJIB	
COc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)CC(C)(C)O2	217960386	FIJLHAGPXQFPHK-QKIXSCASSA-N	371.864	4.780	70	40	FJIB	
COc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)CC(C)(C)O2	217960453	FIJLHAGPXQFPHK-PMQIGOLDSA-N	371.864	4.780	70	40	FJIB	
O=[N+]([O-])c1cccc(/C=C\C=C/c2ccc(S(=O)(=O)F)cc2Cl)c1	100354554	QWNWLAJAFLADNQ-HTTNGAFWSA-N	367.785	4.633	70	40	FJIB	
CC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(OC)c(OC)c1	217961062	IZLAGKHJGVLIKK-SNQZOLJRSA-N	359.853	4.638	70	40	FJIB	
Cc1cc(O[C@H](C)C(=O)NCCCc2ccc(F)cc2)cc(C)c1Cl	218709539	KNKJPXYXVUGJQG-OAHLLOKOSA-N	363.860	4.612	70	40	FJIB	
Cc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1	217906792	FPSAOQZDRAROKH-XYYIANASSA-N	364.272	4.899	70	40	FJIB	
COc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1	218663739	XWHOATGQXNLVSR-KRWDZBQOSA-N	369.505	4.509	70	40	FJIB	
CCOc1ccccc1-n1ccc([C@@H]2OCCN2c2ccc(CC)cc2)c1	216731023	IOIQPLYPSULEMO-QHCPKHFHSA-N	362.473	4.974	70	40	FJIB	
CCc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccc(OC)cc2)c1	216744740	DNBAXTQBOLPAIM-HSZRJFAPSA-N	362.473	4.579	70	40	FJIB	
CCOc1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1OCC	217854707	QADHFVFXFHPWCL-UHFFFAOYSA-N	368.260	4.721	70	40	FJIB	
O=C(CSCc1cccc(Cl)c1)NCCCc1ccccc1Cl	218034841	KIUUGUCGSLYMEG-UHFFFAOYSA-N	368.329	4.976	70	40	FJIB	
Cc1ccccc1OC[C@H](C)NC(=O)CCc1ccc(C(C)(C)C)cc1	218540232	BMPKRBCEHSXLRD-SFHVURJKSA-N	353.506	4.809	70	40	FJIB	
Cc1ccc(-c2nc(S(=O)(=O)Cl)c(-c3ccc(F)cc3)s2)cc1	100103132	JQOAVHBWOFMJLQ-UHFFFAOYSA-N	367.854	4.852	70	40	FJIB	
CCCOc1ccccc1CCCNC(=O)CSCc1ccccc1C	218015741	ZYCPDNGFOQBLGO-UHFFFAOYSA-N	371.546	4.766	70	40	FJIB	
COc1ccc(/C=C/c2nnc(N)o2)cc1OCc1cccc2ccccc12	216906356	DCDLYZUSXQXKSA-ZRDIBKRKSA-N	373.412	4.563	70	40	FJIB	
O=C1CS[C@@H](c2ccn(-c3ccc(Cl)cc3)c2)N1Cc1ccccc1	216673383	JSWKOYWFKBDARK-FQEVSTJZSA-N	368.889	4.905	70	40	FJIB	
Cc1ccccc1CSCC(=O)NCCCc1cccc(OC(C)C)c1	218015010	SEUNIEASHSPSLT-UHFFFAOYSA-N	371.546	4.764	70	40	FJIB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](CC)c1ccc(C)c(C)c1	218758779	WGYPIQCYQURJRE-RTWAWAEBSA-N	355.478	4.737	70	40	FJIB	
COc1cccc(N2CCO[C@H]2c2ccn(-c3cccc(Cl)c3)c2)c1	216723673	GZZIWNCYPJORIS-FQEVSTJZSA-N	354.837	4.675	70	40	FJIB	
CC(C)c1ccc(CCCNC(=O)c2ccccc2Br)cc1	218223333	VGNFBOLAVCNOQD-UHFFFAOYSA-N	360.295	4.935	70	40	FJIB	
O=C(c1cccc(Br)c1)N1CCCC[C@@H](c2ccccc2)C1	217287469	BVPKBFASIDXWCE-QGZVFWFLSA-N	358.279	4.859	70	40	FJIB	
O=[N+]([O-])c1cccc(/C=C\C=C/c2ccc(Cl)c(S(=O)(=O)F)c2)c1	100172692	NMACFYHPKKDSSZ-LOQMQEDUSA-N	367.785	4.633	70	40	FJIB	
O=C(/C=C/c1ccc(Cl)cc1Cl)NCCCc1ccc(F)cc1	217904941	UNRJHHLUCIFLSH-UXBLZVDNSA-N	352.236	4.895	70	40	FJIB	
CN(CCCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccccc1	217956575	JACAWFHEYFIJFC-DTQAZKPQSA-N	350.506	4.640	70	40	FJIB	
COc1cccc2cc(C(=O)NCCCc3ccc(C(C)C)cc3)oc12	218620252	HXMCCHFDPYSPLW-UHFFFAOYSA-N	351.446	4.927	70	40	FJIB	
O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCCC[C@H](c2ccccc2)C1	217287142	VCDMSHIZJDDILD-SFHVURJKSA-N	363.436	4.626	70	40	FJIB	
C[SiH](C)C1=CC=C([SiH](C)C)C2=C([SiH](C)C)C=CC([SiH](C)C)=C1C2	195752779	DESRXZPEHZLOJQ-UHFFFAOYSA-N	374.825	4.510	70	40	FJIB	
CCOc1cccc(-n2ccc([C@@H]3OCCN3c3ccc(CC)cc3)c2)c1	216731135	RSOUKJSQHWLUNT-QHCPKHFHSA-N	362.473	4.974	70	40	FJIB	
COc1ccc(CCCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1	217987044	IBPDTPUFPSFHNE-AWEZNQCLSA-N	363.910	4.578	70	40	FJIB	
CCOC(=O)c1ccc(OCc2cccc3ccccc23)c(OCC)c1	216852887	KRTPCSPLLDBEGP-UHFFFAOYSA-N	350.414	4.994	70	40	FJIB	
COc1ccccc1CCCNC(=O)CCc1ccc(C(C)(C)C)cc1	218538771	WFQOXFLMDAKTEW-UHFFFAOYSA-N	353.506	4.674	70	40	FJIB	
COc1ccc(Cl)cc1NC(=O)NC[C@@H](OC)c1ccccc1Cl	218357031	VQSUBXDSXPORFG-MRXNPFEDSA-N	369.248	4.511	70	40	FJIB	
Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	218665898	RMLXRDSKVIFJCI-QZTJIDSGSA-N	369.505	4.644	70	40	FJIB	
CCN(Cc1nc(-c2cccs2)no1)C(=O)/C=C/c1ccc(Cl)cc1	217963197	JGIOAMDSLRDIKG-JXMROGBWSA-N	373.865	4.513	70	40	FJIB	
CC[C@@H](NC(=O)CCSc1ccc(C)cc1)c1ccc(OC)c(OC)c1	218150526	MIMYCRKNGMCBBX-GOSISDBHSA-N	373.518	4.762	70	40	FJIB	
O=C(COc1ccc(Cl)cc1Cl)NCCCc1ccccc1Cl	217834438	DMINZXUPOQSUQE-UHFFFAOYSA-N	372.679	4.775	70	40	FJIB	
Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)Sc1ccc(Cl)cc1	217989602	USWYPIHWXYYICF-GJZGRUSLSA-N	363.910	4.713	70	40	FJIB	
FC(F)(F)c1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccco2)c1	216747173	FOPAUXSOGZWPFB-SFHVURJKSA-N	362.351	4.620	70	40	FJIB	
COc1cccc(N2CCO[C@@H]2c2ccn(-c3cccc(Cl)c3)c2)c1	216723628	GZZIWNCYPJORIS-HXUWFJFHSA-N	354.837	4.675	70	40	FJIB	
CSC(SC)=P(c1ccccc1)(c1ccccc1)c1ccccc1	104122069	OTPIHUABRNROQD-UHFFFAOYSA-N	368.507	4.794	70	40	FJIB	
Cc1nc(-c2ccccc2NC(=O)c2cnn(-c3ccccc3)c2C)cs1	218590115	GOTRGEFMMAIRCA-UHFFFAOYSA-N	374.469	4.865	70	40	FJIB	
Cc1ccccc1CSCC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	218015449	YDLFRIVYVCXJHQ-GOSISDBHSA-N	355.503	4.647	70	40	FJIB	
CC(C)Oc1ccc(CCCNC(=O)CCSc2ccccc2)cc1	218080529	DZVKLUABWZFAEY-UHFFFAOYSA-N	357.519	4.705	70	40	FJIB	
Cc1ccc(CSCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1	218023459	PAUKXRACINVWGP-LJQANCHMSA-N	369.530	4.955	70	40	FJIB	
CN1CCC(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)CC1	216922602	ARUSKAKNQZAKIW-UHFFFAOYSA-N	374.937	4.913	70	40	FJIB	
Cc1ccc(OC[C@@H](C)NC(=O)CCSc2ccc(Cl)cc2)cc1	218088331	ANLVIAPCJWGPGS-OAHLLOKOSA-N	363.910	4.714	70	40	FJIB	
Cc1ccc(CSCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1	218023550	PAUKXRACINVWGP-IBGZPJMESA-N	369.530	4.955	70	40	FJIB	
Cc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3Cl)c2)cc1	216737167	KBYDZCIURXWSCF-OAQYLSRUSA-N	352.865	4.970	70	40	FJIB	
COc1ccc(CSCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1	218110556	ZKSWQURTJYFMTH-UHFFFAOYSA-N	356.274	4.874	70	40	FJIB	
C(c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1	101846669	BHOMJBFLUFSZLW-UHFFFAOYSA-N	352.417	4.831	70	40	FJIB	
Cc1ccccc1OC[C@@H](C)NC(=O)/C=C/c1ccc(Cl)cc1Cl	217906508	VIYUOXOWCSKRHB-QSYFUGGGSA-N	364.272	4.899	70	40	FJIB	
COc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3Cl)c2)cc1	216743024	XMWTYWXGMZDOOC-OAQYLSRUSA-N	368.864	4.670	70	40	FJIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C=C/c1ccccc1Cl	217902278	WMHBUIOHCHQRAB-MZEUMTGBSA-N	371.864	4.780	70	40	FJIB	
COC(=O)c1ccc(C)c(NC(=O)c2cc3c(ccc4ccccc43)o2)c1	218494521	IKJOSSYCJKEOAF-UHFFFAOYSA-N	359.381	4.933	70	40	FJIB	
CCOc1ccccc1-n1ccc([C@H]2OCCN2c2ccc(CC)cc2)c1	216731068	IOIQPLYPSULEMO-HSZRJFAPSA-N	362.473	4.974	70	40	FJIB	
Cc1ccccc1OC[C@H](C)NC(=O)/C=C/c1ccc(Cl)cc1Cl	217906593	VIYUOXOWCSKRHB-PLWJUESGSA-N	364.272	4.899	70	40	FJIB	
COc1cccc(CCCNC(=O)CCc2ccc(C(C)(C)C)cc2)c1	218538873	SRZZBRUKUUTUCT-UHFFFAOYSA-N	353.506	4.674	70	40	FJIB	
C[C@@](O)(CNC(=O)CCc1cccc(Cl)c1)c1cc2ccccc2s1	217507616	STCAITJHCIXEMZ-HXUWFJFHSA-N	373.905	4.511	70	40	FJIB	
CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(OC)cc1)c1ccc(C)cc1C	218758943	WHSZALVCOBVWNR-LEWJYISDSA-N	355.478	4.737	70	40	FJIB	
COc1ccc(OCCCC(=O)NCCCc2ccc(C(C)C)cc2)cc1	218743639	AIXIRKCCXOGJPY-UHFFFAOYSA-N	369.505	4.727	70	40	FJIB	
COc1cccc2cc(C(=O)Nc3ccccc3C(=O)c3ccccc3)oc12	218615345	RDFXOJJPZZHPEP-UHFFFAOYSA-N	371.392	4.925	70	40	FJIB	
Brc1cccc(-n2ccc([C@H]3OCCN3c3ccccc3)c2)c1	216710680	KUYSMLWSVZBMFE-LJQANCHMSA-N	369.262	4.775	70	40	FJIB	
CC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(C)cc1C	217925832	ADZMZBCKZWUWSZ-DLENHJPASA-N	353.462	4.601	70	40	FJIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCSc1ccccc1	218082320	UXCJSASOLRHPKL-SFHVURJKSA-N	371.502	4.596	70	40	FJIB	
O=C(CSCc1ccc(Cl)cc1)NCCCc1ccccc1Cl	218041398	DTGQZMHDGAMTRW-UHFFFAOYSA-N	368.329	4.976	70	40	FJIB	
C[C@](O)(CNC(=O)Nc1ccccc1Cl)c1cc2ccccc2s1	217522223	AXPBADGWAPQZJE-SFHVURJKSA-N	360.866	4.584	70	40	FJIB	
O=C(CCCOc1ccc(Cl)cc1)NCCCc1ccc(Cl)cc1	218735227	ASQJYMDVIZHQOD-UHFFFAOYSA-N	366.288	4.901	70	40	FJIB	
Cc1ccc(SCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1	217977609	ADOURXCOZHKUHN-GOSISDBHSA-N	355.503	4.814	70	40	FJIB	
O=C1CS[C@H](c2ccn(-c3ccc(Cl)cc3)c2)N1Cc1ccccc1	216673423	JSWKOYWFKBDARK-HXUWFJFHSA-N	368.889	4.905	70	40	FJIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccccc1	218010506	NHLXMRVJAOSBBF-GOSISDBHSA-N	355.503	4.647	70	40	FJIB	
Cc1ccc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1C	218720551	RRFNQWWZOMZFJX-UHFFFAOYSA-N	359.425	4.552	70	40	FJIB	
Cc1ccc2c(c1)[C@H](NC(=O)CCSc1ccccc1)CC(C)(C)O2	218081821	SJKFKESHYICBPP-GOSISDBHSA-N	355.503	4.896	70	40	FJIB	
CCc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccc(OC)cc2)c1	216744699	DNBAXTQBOLPAIM-QHCPKHFHSA-N	362.473	4.579	70	40	FJIB	
Cc1ccc2c(c1)[C@H](NC(=O)CSCc1ccccc1)CC(C)(C)O2	218010333	ZXVKEFPJJCCVHR-GOSISDBHSA-N	355.503	4.647	70	40	FJIB	
CC[C@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(OC)c(OC)c1	218072443	UCWWMPCIPWMSCZ-QAPCUYQASA-N	373.518	4.593	70	40	FJIB	
Cc1ccc(S[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1	218138271	MOKAYDGRBFWUPG-QAPCUYQASA-N	355.503	4.894	70	40	FJIB	
CC(C)c1ccc(CCCNC(=O)c2ccc(CN3CCCC3)cc2)cc1	218611950	AMMDNFTZUZNYTM-UHFFFAOYSA-N	364.533	4.768	70	40	FJIB	
Cc1ccc(CSCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1	218023349	PEECPMCPOMXUAU-IBGZPJMESA-N	369.530	4.955	70	40	FJIB	
COc1ccccc1CCCNC(=O)c1cc2c(ccc3ccccc32)o1	218496656	MGMSLXQQVDFWOA-UHFFFAOYSA-N	359.425	4.957	70	40	FJIB	
O=C(CCCOc1ccccc1)Nc1ccccc1C(=O)c1ccccc1	218725421	RZVGJNKANYATJD-UHFFFAOYSA-N	359.425	4.715	70	40	FJIB	
COc1ccccc1CCCNC(=O)[C@H](C)Sc1ccc(Cl)cc1	217986724	YYRCCTURJXPVPS-AWEZNQCLSA-N	363.910	4.578	70	40	FJIB	
COc1ccccc1CCCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1	217986635	YYRCCTURJXPVPS-CQSZACIVSA-N	363.910	4.578	70	40	FJIB	
COC(=O)c1ccc(C)c(NC(=O)/C(=C/c2ccco2)c2ccccc2)c1	218098887	WHKIJXFVOJJXIO-XMHGGMMESA-N	361.397	4.554	70	40	FJIB	
O=[N+]([O-])c1cccc(/C=C/C=C/c2ccc(S(=O)(=O)F)cc2Cl)c1	100354563	QWNWLAJAFLADNQ-NKZTZDQQSA-N	367.785	4.633	70	40	FJIB	
COc1cccc(CCCNC(=O)c2cc3c(ccc4ccccc43)o2)c1	218496767	RESBGSIVXGDDJJ-UHFFFAOYSA-N	359.425	4.957	70	40	FJIB	
CCOc1ccc(CCCNC(=O)c2ccc(Cl)cc2Cl)cc1	217854939	DIFAUHRIHFCSDL-UHFFFAOYSA-N	352.261	4.755	70	40	FJIB	
COc1ccc(CCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1	217905239	HQZPJCMBYJWJSV-YRNVUSSQSA-N	364.272	4.764	70	40	FJIB	
O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(-c2ccccc2)nc1	100047380	YUPUNKGUYBKZST-UHFFFAOYSA-N	365.257	4.663	70	40	FJIB	
COc1cccc(N2CCO[C@@H]2c2ccn(-c3ccc(Cl)cc3)c2)c1	216723736	AZUPVBHXVPTFFU-HXUWFJFHSA-N	354.837	4.675	70	40	FJIB	
COc1cccc(CCCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1	218663472	ZVJFWMNHHRFBKS-QGZVFWFLSA-N	369.505	4.509	70	40	FJIB	
COc1cccc2cc(C(=O)N[C@H]3CC(C)(C)Oc4ccc(C)cc43)oc12	218616961	XMOMMZMMEBAKKX-INIZCTEOSA-N	365.429	4.782	70	40	FJIB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](CC)c1ccc(C)cc1C	218758991	WHSZALVCOBVWNR-RTWAWAEBSA-N	355.478	4.737	70	40	FJIB	
COc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1	217951188	AGAGSYFFPHFNSY-BXUGYJKXSA-N	367.489	4.590	70	40	FJIB	
COc1ccc(CN2CCO[C@H]2c2ccn(-c3cccc(Cl)c3)c2)cc1	216743177	PSVSZDROSJKFBV-NRFANRHFSA-N	368.864	4.670	70	40	FJIB	
COc1ccc(CCCNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1	218102590	UTZJTQFLKWSLOR-OQKWZONESA-N	361.441	4.578	70	40	FJIB	
Cc1ccc(CN2CCO[C@H]2c2ccn(-c3cccc(Cl)c3)c2)cc1	216737326	OCTLCTLECZDAGE-NRFANRHFSA-N	352.865	4.970	70	40	FJIB	
Cc1cc(C(=O)N2CCS[C@@H]2c2ccc(C(F)(F)F)cc2)c(C)o1	217630517	BUPWZWWVIKXMKK-MRXNPFEDSA-N	355.381	4.803	70	40	FJIB	
CCc1ccc(-n2ccc([C@H]3OCCN3Cc3ccc(OC)cc3)c2)cc1	216744403	KLPHNYJYFAHUAI-HSZRJFAPSA-N	362.473	4.579	70	40	FJIB	
CC[C@@H](NC(=O)CSCc1ccc(OC)cc1)c1ccc(C)c(C)c1	218116219	ZKVAIVWZYXTOPM-HXUWFJFHSA-N	357.519	4.813	70	40	FJIB	
COc1ccc(CCCNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1	218538969	GYMVRNLWYDRKAF-UHFFFAOYSA-N	353.506	4.674	70	40	FJIB	
CCCOc1ccccc1CCCNC(=O)[C@H](C)Sc1ccccc1	218057726	ZGRYATDKJAALMM-KRWDZBQOSA-N	357.519	4.705	70	40	FJIB	
Brc1ccccc1-n1ccc([C@@H]2OCCN2c2ccccc2)c1	216711789	BTXBPDVPNAWTKB-IBGZPJMESA-N	369.262	4.775	70	40	FJIB	
Cc1nc(Cc2ccccc2)ncc1-c1nnc(-c2ccccc2Cl)o1	216664927	PTXSWAYVFZMOCJ-UHFFFAOYSA-N	362.820	4.746	70	40	FJIB	
CCCOc1ccccc1CCCNC(=O)CSCc1ccc(C)cc1	218022399	FTQXYKDJUVZZSV-UHFFFAOYSA-N	371.546	4.766	70	40	FJIB	
O=C(NCCSCc1ccccc1)/C(=C/c1ccco1)c1ccccc1	218095028	JKNGZFVHPUWKPM-LTGZKZEYSA-N	363.482	4.870	70	40	FJIB	
Cc1ccc(OCCCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1	218731563	YYYSOEADADSHSE-HXUWFJFHSA-N	367.489	4.881	70	40	FJIB	
CCCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2Cc1ccccc1	217761321	JBSXAZVBHBYTKV-UHFFFAOYSA-N	351.446	4.964	70	40	FJIB	
CCCOc1ccccc1CCCNC(=O)CSc1ccc(C)cc1	217976678	SSKHAOPDKGUEAB-UHFFFAOYSA-N	357.519	4.625	70	40	FJIB	
Cc1ccccc1OC[C@H](C)NC(=O)CCSc1ccc(Cl)cc1	218088210	GLERIZDABLXNQN-HNNXBMFYSA-N	363.910	4.714	70	40	FJIB	
COc1cccc(N2CCO[C@H]2c2ccn(-c3ccccc3Cl)c2)c1	216723565	FTWQZXIVILEHPP-FQEVSTJZSA-N	354.837	4.675	70	40	FJIB	
COc1ccccc1CCCNC(=O)/C(=C/c1ccco1)c1ccccc1	218102373	KLGSNKQLJPPLGL-HEHNFIMWSA-N	361.441	4.578	70	40	FJIB	
O=[N+]([O-])c1ccc(/C=C/C=C/c2cccc(S(=O)(=O)F)c2)c(Cl)c1	100354575	DWXIKJQRMKNLET-NKZTZDQQSA-N	367.785	4.633	70	40	FJIB	
O=C(CCSc1ccc(Cl)cc1)NCCCc1ccc(F)cc1	218086583	NGNNEWSQQWFCLJ-UHFFFAOYSA-N	351.874	4.710	70	40	FJIB	
CN1CCC[C@H](C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)C1	216913869	HCDXQSSXIYNOKL-INIZCTEOSA-N	374.937	4.913	70	40	FJIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCSc1ccccc1	218082004	JGRQAHVITBPXIY-GOSISDBHSA-N	355.503	4.896	70	40	FJIB	
Cc1ccccc1OC[C@@H](C)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1	217952497	BZFZWOXDRBNIRN-NKAIQICCSA-N	351.490	4.889	70	40	FJIB	
CCCCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2Cc1cccnc1	217766837	RTFWMBIDFSBFGH-UHFFFAOYSA-N	366.461	4.749	70	40	FJIB	
CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(C)cc1C	217925755	ADZMZBCKZWUWSZ-VSRDTVRMSA-N	353.462	4.601	70	40	FJIB	
CC[C@H](NC(=O)CSCc1ccc(OC)cc1)c1ccc(C)cc1C	218116503	HTBIZBXZUJIPGK-FQEVSTJZSA-N	357.519	4.813	70	40	FJIB	
CC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(OC)c(OC)c1	217856641	PXUCJXJOSFEKHL-OAHLLOKOSA-N	368.260	4.892	70	40	FJIB	
CCOc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccc(C)cc2)c1	216739304	JWBWPLXTYLCCDR-HSZRJFAPSA-N	362.473	4.715	70	40	FJIB	
O=[N+]([O-])c1ccc(/C=C\C=C/c2cccc(S(=O)(=O)F)c2)c(Cl)c1	100354566	DWXIKJQRMKNLET-HTTNGAFWSA-N	367.785	4.633	70	40	FJIB	
Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1	218692798	VPCFCMYMEGSZKC-UHFFFAOYSA-N	359.425	4.552	70	40	FJIB	
COc1ccc([C@@H]2SCCN2C(=O)/C=C/c2ccccc2Cl)cc1	217628495	ITAVFAMEWQLJNA-BLRBJFNZSA-N	359.878	4.636	70	40	FJIB	
COc1ccc(OC[C@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1	218539171	YUUHRAZZMYQYHQ-KRWDZBQOSA-N	369.505	4.509	70	40	FJIB	
Cc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1	217906707	FPSAOQZDRAROKH-OAUONFCTSA-N	364.272	4.899	70	40	FJIB	
Cc1ccc(CSCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1	218022083	KUIYQMOMJJVJKH-GOSISDBHSA-N	355.503	4.647	70	40	FJIB	
Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)CC(C)(C)O2	218677659	VFNXYYKVPIOSIB-KBXCAEBGSA-N	373.880	4.834	70	40	FJIB	
Cc1ccc(OCCCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1	218731627	YYYSOEADADSHSE-FQEVSTJZSA-N	367.489	4.881	70	40	FJIB	
CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@H](c3ccccc3)[C@H]1[C@H]2C	217604424	YMUARTGNUFZVFK-MAIORPNCSA-N	357.494	4.727	70	40	FJIB	biogenic
Cc1ccc(SCC(=O)NCCCc2cccc(OC(C)C)c2)cc1	217975974	IACDXDFSCODPQL-UHFFFAOYSA-N	357.519	4.623	70	40	FJIB	
CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@@H](c3ccccc3)[C@H]1[C@H]2C	217604510	YMUARTGNUFZVFK-AKWHDMJJSA-N	357.494	4.727	70	40	FJIB	biogenic
Cc1cccc(CN2CCO[C@H]2c2ccn(-c3ccccc3Cl)c2)c1	216740007	DPSLSCMKCAXTGP-NRFANRHFSA-N	352.865	4.970	70	40	FJIB	
O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)C1CC1	218673123	MKPLEUUKORXDBL-UHFFFAOYSA-N	374.462	4.520	70	40	FJIB	
CCCOc1ccccc1CCCNC(=O)CCSc1ccccc1	218081017	ZAPMSXNHXFTMDL-UHFFFAOYSA-N	357.519	4.707	70	40	FJIB	
COc1ccc(CNc2ccc(Br)c(Cl)c2)cc1OC	218007933	PJYNFLVTORVUKY-UHFFFAOYSA-N	356.647	4.732	70	40	FJIB	
COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Sc1ccccc1)CC(C)(C)O2	218059381	OOWHHJMNJIHBMQ-KDOFPFPSSA-N	371.502	4.594	70	40	FJIB	
CCCOc1ccccc1CCCNC(=O)c1cc2cccc(OC)c2o1	218616093	ZFJMSIKKAMQQPT-UHFFFAOYSA-N	367.445	4.593	70	40	FJIB	
O=C1CS[C@@H](c2ccn(-c3ccccc3Cl)c2)N1Cc1ccccc1	216673165	NUQUODQDAUHKSK-FQEVSTJZSA-N	368.889	4.905	70	40	FJIB	
CC[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(OC)c(OC)c1	217856723	PXUCJXJOSFEKHL-HNNXBMFYSA-N	368.260	4.892	70	40	FJIB	
FC(F)(F)c1cccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)c1	216746530	DCMMTECXLANNBU-GOSISDBHSA-N	362.351	4.620	70	40	FJIB	
O=C(c1cc2c(ccc3ccccc32)o1)N1CCN(Cc2ccccc2)CC1	218494291	DVHHIIVFMRTKCY-UHFFFAOYSA-N	370.452	4.544	70	40	FJIB	
CC(C)Oc1cccc(CCCNC(=O)/C=C/c2ccccc2Cl)c1	217900217	SJRLFKHPFBKDER-OUKQBFOZSA-N	357.881	4.889	70	40	FJIB	
CC(C)Oc1cccc(CNC(=O)CCSc2ccc(Cl)cc2)c1	218085757	YSLHRRWEYXKWPY-UHFFFAOYSA-N	363.910	4.926	70	40	FJIB	
CC[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(OC)c(OC)c1	217902861	PDWPNKFAUIEEHZ-JICACKBISA-N	359.853	4.638	70	40	FJIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1Br	218221930	YXUAYRYSNLGKEP-MRXNPFEDSA-N	374.278	4.790	70	40	FJIB	
C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1Cl	218673295	VHAYLJIPZVNNKE-CYBMUJFWSA-N	352.261	4.510	70	40	FJIB	
COc1ccc2c(c1)[C@H](NC(=O)CCSc1ccccc1)CC(C)(C)O2	218082209	HYWIIJICYURZAM-GOSISDBHSA-N	371.502	4.596	70	40	FJIB	
Cc1ccc(SCCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1	218148136	VAZAPXWXBZJICW-GOSISDBHSA-N	355.503	4.896	70	40	FJIB	
CN(CCCNC(=O)c1cc2c(ccc3ccccc32)o1)c1ccccc1	218502795	LVKXQPBLIUINAM-UHFFFAOYSA-N	358.441	4.842	70	40	FJIB	
O=[N+]([O-])c1cccc(/C=C/C=C/c2ccc(Cl)c(S(=O)(=O)F)c2)c1	100172699	NMACFYHPKKDSSZ-GRSRPBPQSA-N	367.785	4.633	70	40	FJIB	
CC(C)(C)c1ccc(C(=O)N(Cc2cccs2)C2CCOCC2)cc1	217290678	ALTDYCIWQYSZBL-UHFFFAOYSA-N	357.519	4.867	70	40	FJIB	
O=[N+]([O-])c1cccc(/C=C/C=C\c2ccc(S(=O)(=O)F)cc2Cl)c1	100354556	QWNWLAJAFLADNQ-REUFWYNESA-N	367.785	4.633	70	40	FJIB	
Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1	217989441	USWYPIHWXYYICF-LSDHHAIUSA-N	363.910	4.713	70	40	FJIB	
Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Sc1ccccc1)CC(C)(C)O2	218058827	VKEPBONRLGUJJN-QAPCUYQASA-N	355.503	4.894	70	40	FJIB	
COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1	218663655	XWHOATGQXNLVSR-QGZVFWFLSA-N	369.505	4.509	70	40	FJIB	
CCOc1ccc(-n2ccc([C@H]3OCCN3c3ccc(F)cc3)c2)cc1	216732943	GWDKWWMHAINLRQ-OAQYLSRUSA-N	352.409	4.551	70	40	FJIB	
CC1(C)C[C@@H](NC(=O)CCCOc2ccc(Cl)cc2)c2ccccc2O1	218736133	RNSVMIOIVULYFA-GOSISDBHSA-N	373.880	4.918	70	40	FJIB	
Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1	218666234	HBLBFGOYOMPJCT-QZTJIDSGSA-N	369.505	4.644	70	40	FJIB	
COc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccc(Cl)cc3)c2)cc1	216743245	DOKQFAUPVNGSFB-OAQYLSRUSA-N	368.864	4.670	70	40	FJIB	
Cc1cccc(CN2CCO[C@H]2c2ccn(-c3cccc(Cl)c3)c2)c1	216740122	ISPBELFNGUEJPL-NRFANRHFSA-N	352.865	4.970	70	40	FJIB	
COC(=O)c1ccc(C)c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1	217949505	ZNCGCZKXMBMAEM-UKTHLTGXSA-N	351.446	4.731	70	40	FJIB	
O=[N+]([O-])c1ccc(/C=C\C=C/c2ccc(S(=O)(=O)F)cc2Cl)cc1	104170482	ITZKBXNKNZNQAD-CCAGOZQPSA-N	367.785	4.633	70	40	FJIB	
COc1cccc(N2CCO[C@H]2c2ccn(-c3ccc(Cl)cc3)c2)c1	216723786	AZUPVBHXVPTFFU-FQEVSTJZSA-N	354.837	4.675	70	40	FJIB	
O=C(c1cccc(Br)c1)N1CCCC[C@H](c2ccccc2)C1	217287471	BVPKBFASIDXWCE-KRWDZBQOSA-N	358.279	4.859	70	40	FJIB	
Cc1ccc(SCCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1	218148208	VAZAPXWXBZJICW-SFHVURJKSA-N	355.503	4.896	70	40	FJIB	
Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1	218666132	RMLXRDSKVIFJCI-ROUUACIJSA-N	369.505	4.644	70	40	FJIB	
Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)Sc1ccc(Cl)cc1	217989508	USWYPIHWXYYICF-CABCVRRESA-N	363.910	4.713	70	40	FJIB	
O=[N+]([O-])c1cccc(/C=C\C=C\c2ccc(Cl)c(S(=O)(=O)F)c2)c1	100172697	NMACFYHPKKDSSZ-AGRHYVPTSA-N	367.785	4.633	70	40	FJIB	
COc1cc(CNC(=O)[C@@H](C)Sc2ccc(C)cc2)ccc1OC(C)C	218135343	GMUZGPPBHFDMKT-MRXNPFEDSA-N	373.518	4.588	70	40	FJIB	
C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1Cl	218673383	VHAYLJIPZVNNKE-ZDUSSCGKSA-N	352.261	4.510	70	40	FJIB	
C[C@H](SCc1ccccc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	218068155	WFHZUFCKYNDDOF-MAUKXSAKSA-N	355.503	4.727	70	40	FJIB	
CC[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(OC)c(OC)c1	217902787	PDWPNKFAUIEEHZ-DPCFLFMUSA-N	359.853	4.638	70	40	FJIB	
CC[C@@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(C)cc1C	218319528	CQCDCSXWTFJNFE-HXUWFJFHSA-N	372.468	4.684	70	40	FJIB	
COc1cccc(CCCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1	217986893	VVYAQFDNQHERBP-AWEZNQCLSA-N	363.910	4.578	70	40	FJIB	
O=C(CSCc1c(F)cccc1Cl)NCCCc1ccc(F)cc1	218200840	CFMXWZMVTUKXGU-UHFFFAOYSA-N	369.864	4.600	70	40	FJIB	
Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1	218666319	HBLBFGOYOMPJCT-ZWKOTPCHSA-N	369.505	4.644	70	40	FJIB	
Cc1ccc(CN2CCO[C@@H]2c2ccn(-c3cccc(Cl)c3)c2)cc1	216737284	OCTLCTLECZDAGE-OAQYLSRUSA-N	352.865	4.970	70	40	FJIB	
Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)CC(C)(C)O2	218677484	VFNXYYKVPIOSIB-RDTXWAMCSA-N	373.880	4.834	70	40	FJIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Sc1ccccc1	218059155	BARWLLPWTZZTCP-CRAIPNDOSA-N	355.503	4.894	70	40	FJIB	
Cc1nc(-c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)cs1	218663314	AVIGSZKBSVQMSG-UHFFFAOYSA-N	370.908	4.634	70	40	FJIB	
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1ccc(F)cc1	218663075	XWLXSIYLHTYTGV-MRXNPFEDSA-N	357.469	4.640	70	40	FJIB	
Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)CC(C)(C)O2	217869563	OMHCYOCVMPUKSL-INIZCTEOSA-N	374.278	4.790	70	40	FJIB	
Cc1ccccc1OC[C@H](C)NC(=O)/C(=C/c1ccco1)c1ccccc1	218104200	XETOAHCRCKGYTM-CQHJRZBDSA-N	361.441	4.712	70	40	FJIB	
O=[N+]([O-])c1ccc(/C=C/C=C\c2ccc(S(=O)(=O)F)cc2)c(Cl)c1	100354536	LNHBCOQQQBFIJA-HSFFGMMNSA-N	367.785	4.633	70	40	FJIB	
COc1ccccc1N1CCO[C@H]1c1ccn(-c2ccc(Cl)cc2)c1	216721137	DFQLQQGTWFKUIJ-FQEVSTJZSA-N	354.837	4.675	70	40	FJIB	
Cc1ccc2c(c1)[C@@H](NC(=O)CCSc1ccccc1)CC(C)(C)O2	218081737	SJKFKESHYICBPP-SFHVURJKSA-N	355.503	4.896	70	40	FJIB	
Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1	217989363	USWYPIHWXYYICF-HUUCEWRRSA-N	363.910	4.713	70	40	FJIB	
COc1cccc([C@H]2SCCN2C(=O)c2cccc(C(F)(F)F)c2)c1	217637913	BEFNIEQBTVJCQJ-QGZVFWFLSA-N	367.392	4.602	70	40	FJIB	
O=C(NCCCN1CCCc2ccccc21)c1ccc(-c2ccccc2)cc1	218167558	XZRIMXDLDZSDMI-UHFFFAOYSA-N	370.496	4.926	70	40	FJIB	
Brc1cccc(-n2ccc([C@@H]3OCCN3c3ccccc3)c2)c1	216710636	KUYSMLWSVZBMFE-IBGZPJMESA-N	369.262	4.775	70	40	FJIB	
O=C1CS[C@H](c2ccn(-c3cccc(Cl)c3)c2)N1Cc1ccccc1	216673320	RYZOZLNFFMLCLA-HXUWFJFHSA-N	368.889	4.905	70	40	FJIB	
CCOc1ccccc1-n1ccc([C@@H]2OCCN2Cc2cccc(C)c2)c1	216742357	LVQZXAXTXKDUSI-QHCPKHFHSA-N	362.473	4.715	70	40	FJIB	
Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1	217989783	HIAZORGQCOACRV-LSDHHAIUSA-N	363.910	4.713	70	40	FJIB	
CCOc1ccccc1-n1ccc([C@H]2OCCN2c2ccc(F)cc2)c1	216733690	ZMSAKKFJORNVSX-OAQYLSRUSA-N	352.409	4.551	70	40	FJIB	
COc1ccccc1CCCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1	217950796	MYBPEYIOSIMKNG-DTQAZKPQSA-N	351.490	4.755	70	40	FJIB	
COc1cccc(CCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1	218663546	ZVJFWMNHHRFBKS-KRWDZBQOSA-N	369.505	4.509	70	40	FJIB	
CN1CCC(CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1	216897927	HHPRFATXQIJWLO-UHFFFAOYSA-N	366.549	4.825	70	40	FJIB	
CC1(C)C[C@H](NC(=O)CSc2ccc(Cl)cc2)c2ccccc2O1	217981275	WIWHDGDDDSSNAS-INIZCTEOSA-N	361.894	4.851	70	40	FJIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C=C/c1ccc(Cl)cc1	217960601	LATUFEHDUZPXQE-PMQIGOLDSA-N	371.864	4.780	70	40	FJIB	
O=[N+]([O-])c1cccc(/C=C\C=C\c2ccc(S(=O)(=O)F)cc2Cl)c1	100354559	QWNWLAJAFLADNQ-FFYFFONTSA-N	367.785	4.633	70	40	FJIB	
COc1ccc2cc(-c3nnc(-c4ccccc4Cl)o3)c(C)nc2c1	216665317	RIAADCRAOCGQRH-UHFFFAOYSA-N	351.793	4.922	70	40	FJIB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(OC2CCCC2)cc1	218756454	IACORABGSUXVLY-NRFANRHFSA-N	369.461	4.813	70	40	FJIB	
O=C1CS[C@H](c2ccn(-c3ccccc3Cl)c2)N1Cc1ccccc1	216673211	NUQUODQDAUHKSK-HXUWFJFHSA-N	368.889	4.905	70	40	FJIB	
Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1	217989699	HIAZORGQCOACRV-HUUCEWRRSA-N	363.910	4.713	70	40	FJIB	
Cc1ccccc1CSCC(=O)NCCCc1ccc(OC(C)C)cc1	218015115	DXUCBOQUOQXWHO-UHFFFAOYSA-N	371.546	4.764	70	40	FJIB	
O=C(c1cccs1)N1CCS[C@@H]1c1ccc(OC(F)(F)F)cc1	217643456	CASSWAJYYZHTPZ-CQSZACIVSA-N	359.394	4.535	70	40	FJIB	
O=C(CSCc1cccc(Cl)c1)NCCCc1ccc(Cl)cc1	218034954	JKJSBYDPDSXEDJ-UHFFFAOYSA-N	368.329	4.976	70	40	FJIB	
CCCCS(=O)(=O)c1ccc2nc(Nc3ccccc3)cc(C)c2c1	217431691	BCSWFDIXIKWNSW-UHFFFAOYSA-N	354.475	4.861	70	40	FJIB	
CC(C)Oc1ccc(CCCNC(=O)[C@H](C)SCc2ccccc2)cc1	218067772	HXNFLLUWUFCBMZ-SFHVURJKSA-N	371.546	4.845	70	40	FJIB	
COc1cc(CNC(=O)CCSc2ccc(C)cc2)ccc1OC(C)C	218146745	KHLFJDNNTMZMEN-UHFFFAOYSA-N	373.518	4.589	70	40	FJIB	
COc1ccccc1N1CCO[C@H]1c1ccn(-c2ccccc2Cl)c1	216720929	KVGCKEDSCDKVTJ-FQEVSTJZSA-N	354.837	4.675	70	40	FJIB	
Cc1ccccc1OC[C@@H](C)NC(=O)CCc1ccc(C(C)(C)C)cc1	218540151	BMPKRBCEHSXLRD-GOSISDBHSA-N	353.506	4.809	70	40	FJIB	
C[C@@H](SCc1ccccc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21	218068238	WFHZUFCKYNDDOF-QAPCUYQASA-N	355.503	4.727	70	40	FJIB	
CC[C@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1	218142537	WGOAOFANTXLOBP-QAPCUYQASA-N	373.518	4.760	70	40	FJIB	
COc1ccc2c(c1)[C@@H](NC(=O)CCSc1ccccc1)CC(C)(C)O2	218082117	HYWIIJICYURZAM-SFHVURJKSA-N	371.502	4.596	70	40	FJIB	
Cc1ccc(OCCCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1	218730553	TUWPVPSDJASWCB-LJQANCHMSA-N	353.462	4.573	70	40	FJIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Sc1ccccc1	218059096	BARWLLPWTZZTCP-QAPCUYQASA-N	355.503	4.894	70	40	FJIB	
O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(-c2cccnc2)s1	59530771	IDMGFJPLJHXOJV-UHFFFAOYSA-N	371.286	4.725	70	40	FJIB	
O=C(CSCc1ccccc1Cl)NCCCc1ccc(Cl)cc1	218027912	LUPGVCMYULWCMP-UHFFFAOYSA-N	368.329	4.976	70	40	FJIB	
CC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(C)c(C)c1	217925655	RANHAHYTSAKANH-DLENHJPASA-N	353.462	4.601	70	40	FJIB