smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCS(=O)(=O)c1ccc(O)c(NC(=O)CC2(CC(=O)O)CCCC2)c1	4324936	PKTZZYMGYLKGFT-UHFFFAOYSA-N	369.439	2.550	0	30	FFAC	
O=C1NC(=O)/C(=C/c2ccc(OC(=O)c3ccc(F)c(Cl)c3)cc2)N1	1024939	BPPMTMUBKAXUFF-AUWJEWJLSA-N	360.728	2.879	0	30	FFAC	
CSc1nc2cc(-c3ccccc3)nn2c(N)c1S(=O)(=O)C(C)C	1037696	ULUYCQRTUJAAOH-UHFFFAOYSA-N	362.480	2.883	0	30	FFAC	
CC(C)N(C(C)C)S(=O)(=O)C[C@]12CC[C@H](C[C@@]13OCC(=O)O3)C2(C)C	136776110	HTYQAYBLRGLWTG-JLSDUUJJSA-N	373.515	2.531	0	30	FFAC	
CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)C(=O)[C@@H](N)C(C)C	39008734	NBLWRFNWDBPHKB-FSDCSDTHSA-N	358.523	2.590	0	30	FFAC	
COC(=O)CCc1nc(OC)c(Br)cc1Br	72233093	DGBRMXNALLUJRJ-UHFFFAOYSA-N	353.010	2.721	0	30	FFAC	
C[S@](=O)(=NS(=O)(=O)c1cccc2nonc12)c1ccc(Cl)cc1	100216382	DEFQWRVNJPZCTG-JOCHJYFZSA-N	371.827	2.722	0	30	FFAC	
CC(=O)Nc1cc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2oc1=O	1040714	FJPBWTZEHBGPSQ-UHFFFAOYSA-N	372.402	2.861	0	30	FFAC	
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C[C@@H](O)[C@@]2(O)C1	2265351533	DUHMDQJMDPPEHC-LVAOEYEBSA-N	364.482	2.616	0	30	FFAC	
O=C(Cn1nc2sc3ccccc3n2c(=O)c1=O)c1ccc(Cl)cc1	1036127	VKJCGYFJQZDNJR-UHFFFAOYSA-N	371.805	2.607	0	30	FFAC	
CC1=NN(C2=NCCS2)C(=O)C1=NNc1cccc(C(F)(F)F)c1	254615247	CLRDZIMWJKYTPW-UHFFFAOYSA-N	355.345	2.794	0	30	FFAC	
CCOC(=O)CSc1nnc(-c2ccccc2)c(=O)n1-c1ccccc1	1041233	LCEWHOWQVDUWLB-UHFFFAOYSA-N	367.430	2.950	0	30	FFAC	
O=C(O)[C@H]1C[C@H](O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21	35529442	CJGSLUBWMLBOFZ-BFUOFWGJSA-N	367.401	2.845	0	30	FFAC	
CC(C)(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)C	198484589	SNQHVTXAIWMHRT-IRXDYDNUSA-N	359.514	2.564	0	30	FFAC	
O=S(=O)(NCc1ccccc1)c1ccccc1I	1040962	PSOSWMMATFMFQJ-UHFFFAOYSA-N	373.215	2.770	0	30	FFAC	
Cc1ccc(S(=O)(=O)NC2=C(C(=O)O)[C@H]3CCCC[C@H]3S2)cc1	2265352179	UPAFLGDARXXBQH-QWHCGFSZSA-N	353.465	2.875	0	30	FFAC	
COc1ccc(CCNC[C@H](O)Cn2ccc3ccccc32)cc1OC	3138748	KEPPTXNYKXAWSR-SFHVURJKSA-N	354.450	2.852	0	30	FFAC	
C[C@@H]1CCC[C@H](O[C@@H]2C[C@@H](N3C(=O)c4ccccc4C3=O)CO[C@@H]2C)O1	575417406	DEQVFTYGKFLFCN-NBZYUPRNSA-N	359.422	2.760	0	30	FFAC	in-vitro
COC(=O)c1nn(-c2ccccc2)c2oc(=O)c(Br)c(C)c12	1039507	GSNSQLNVXYSXIX-UHFFFAOYSA-N	363.167	2.836	0	30	FFAC	
COc1cc2c(cc1OC)C(c1ccc3c(c1)OCO3)=C1C(=O)OC[C@@H]1C2	6017818	TYNZRPOBMSNIAX-ZDUSSCGKSA-N	366.369	2.964	0	30	FFAC	in-vitro
COC(=O)COc1c(C)cc(-c2nn(C)c(=O)c3ccccc23)cc1C	580356	FDJBYAHLPYLRKD-UHFFFAOYSA-N	352.390	2.769	0	30	FFAC	
COC(=O)c1ccc(OP(=O)(O)Oc2ccc(C(=O)OC)cc2)cc1	2585441	YHYFOFWHFWLFPC-UHFFFAOYSA-N	366.262	2.818	0	30	FFAC	
O=C(O)CN[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1	725240408	CLYNQYDAXKGCGP-CQSZACIVSA-N	366.417	2.684	0	30	FFAC	
Cc1cc(C)n2nc(S(=O)(=O)Nc3c(Cl)cccc3Cl)nc2n1	680262	RZWWGOCLMSGROE-UHFFFAOYSA-N	372.237	2.849	0	30	FFAC	
CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	253497921	OACVNSOUPWYEBL-BTYXBCOXSA-N	364.526	2.927	0	30	FFAC	
C[C@@H](/C=C/[C@@H](C)C(C)(C)O)[C@]1(O)CC[C@@H]2C3=CC(=O)O[C@]3(O)CC[C@]21C	263589996	VTJBUEPNESMAHX-LBUHERFFSA-N	364.482	2.699	0	30	FFAC	
CC(C)OC(=O)[C@@H](C)OC(=O)SC(=O)O[C@H](C)C(=O)OC(C)C	585139100	IMBPENWDXWICKX-NXEZZACHSA-N	350.389	2.673	0	30	FFAC	
CSc1nc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)nn1C	1023945	FUTNMQPJCMSDAL-UHFFFAOYSA-N	367.283	2.953	0	30	FFAC	
CCOC(=O)[C@]1(C(F)(F)F)N=C(c2cccc(C)c2)OC(N(C)C)=N1	4336759	RTJXHDCBBFQHRL-HNNXBMFYSA-N	357.332	2.511	0	30	FFAC	
N[C@@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O	6476166	VLZBRVJVCCNPRJ-ZQGRQUNCSA-N	353.374	2.817	0	30	FFAC	
CO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1CO	2265364190	WNNLDKLQBIGTII-MXEMCNAFSA-N	358.434	2.768	0	30	FFAC	
COc1ccc(OC[C@@H](O)CNC(=O)Nc2ccc(F)cc2F)cc1	1032836	CJGGFOKLSRPUEG-LBPRGKRZSA-N	352.337	2.535	0	30	FFAC	
Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCCc1ccc([C@H](C)O)s1	225689294	BMUHUVSXLSAMRV-ZDUSSCGKSA-N	371.528	2.717	0	30	FFAC	
CCOC(=O)C(=CNc1nc2ccc(OC)cc2s1)C(=O)OCC	2161616	OGWVCUAFVVXMIN-UHFFFAOYSA-N	350.396	2.727	0	30	FFAC	
CC(C)OC(=O)C1(C(=O)OC(C)C)CC(CNC(=O)OC(C)(C)C)C1	97758556	QTNSMJIXUPYUOP-UHFFFAOYSA-N	357.447	2.811	0	30	FFAC	
O[C@H](CNCCNc1ncccc1C(F)(F)F)COc1ccc(F)cc1	2141880	ONWODZGYBGJKFQ-CYBMUJFWSA-N	373.350	2.681	0	30	FFAC	
O=C1c2ccccc2S(=O)(=O)N1Cc1ccc(-c2csnn2)cc1	1034652	AXNSQFGALJFITL-UHFFFAOYSA-N	357.416	2.550	0	30	FFAC	
O=S(=O)(NNc1cnc2ccccc2n1)c1ccccc1C(F)(F)F	1039714	FMUUXNPIGNZMIP-UHFFFAOYSA-N	368.340	2.954	0	30	FFAC	
Cc1cccc(C)c1OC(=O)[C@H](c1ccccc1)N1CCN(CCO)CC1	22042226	GMMLLAIEKDNMER-FQEVSTJZSA-N	368.477	2.560	0	30	FFAC	
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@H]1C(=O)CO	77292114	YSIAYLSGHHVHFY-SQQNWLPGSA-N	356.462	2.849	0	30	FFAC	in-vitro
COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H]1NCCc2cc3c(cc21)OCO3	196887376	VKUFOPJSFWVKKJ-QZTJIDSGSA-N	369.373	2.531	0	30	FFAC	
CN(C(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)O)COC1	229515317	ORIAZSKJUJQLGQ-UHFFFAOYSA-N	353.374	2.721	0	30	FFAC	
COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(=O)C(C)(C)C(=O)C[C@@H]1C	32273363	PWLHVTJCMHHDOD-DCXZOGHSSA-N	366.797	2.875	0	30	FFAC	
CCOC1=NN(c2ncc(C(F)(F)F)cc2Cl)C(=O)C1=CN(C)C	8659504	QQFXPOCWCZWZBZ-UHFFFAOYSA-N	362.739	2.896	0	30	FFAC	
CC[C@H](C)[C@H](C)C(=O)Nc1ccc2ncn3c(=O)c(C(=O)O)cnc3c2c1	5925372	YWYURKUOLLVUCU-QWRGUYRKSA-N	368.393	2.562	0	30	FFAC	
CC(=O)Oc1cc(O)c2c(c1)O[C@H](c1ccccc1)[C@H](OC(C)=O)C2=O	1307291642	JHHPBJCBJRYFGP-RTBURBONSA-N	356.330	2.566	0	30	FFAC	biogenic
O=C(NC[C@H]1CC(C(=O)O)=NO1)OCC1c2ccccc2-c2ccccc21	725240634	SMHNHEDDRWECDA-GFCCVEGCSA-N	366.373	2.755	0	30	FFAC	
Cc1sc2nc(SCC(=O)Nc3nccs3)[nH]c(=O)c2c1C	2614023	UHUJPITZNRJFMZ-UHFFFAOYSA-N	352.466	2.789	0	30	FFAC	
CCc1ccc(Cn2c(=O)c3[nH]cnc3n(-c3ccccc3C)c2=O)cc1	1040337	NKPPRWBALOZVIU-UHFFFAOYSA-N	360.417	2.795	0	30	FFAC	
CCOC(=O)C(=NOC)c1csc(NC(=O)c2ccc(Cl)cc2)n1	254395247	GWFLPCNXXKRRNG-UHFFFAOYSA-N	367.814	2.962	0	30	FFAC	
O=S(=O)(NCc1ccc(-c2csnn2)cc1)c1ccc(F)cc1F	1035021	BVDHMOBORQFFJH-UHFFFAOYSA-N	367.402	2.962	0	30	FFAC	
Nc1cccc(Cl)c1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1	1036307	GCELWKHJFMYQNS-UHFFFAOYSA-N	368.842	2.735	0	30	FFAC	
O=C(NCCN1CCN(Cc2ccccc2)CC1)Nc1ccc(F)cc1	19834826	CBBVVSDNHRKCNP-UHFFFAOYSA-N	356.445	2.765	0	30	FFAC	
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCNC(=O)c1ccccn1	146749091	WPSVHTAKOWRYBC-UHFFFAOYSA-N	362.813	2.866	0	30	FFAC	
COC(=O)c1c(F)ccc(I)c1Br	575711565	WBJHHPFNUVSRAV-UHFFFAOYSA-N	358.932	2.979	0	30	FFAC	
COc1ccccc1C1CCN(C(=O)CSc2nnc(N)s2)CC1	1043276	OHJAZJDRWRKMMR-UHFFFAOYSA-N	364.496	2.627	0	30	FFAC	
O=C1CS(=O)(=O)[C@@H](c2ccccn2)N1c1ccc(C(F)(F)F)cc1	1046087	NVRRIRIYPASEOZ-AWEZNQCLSA-N	356.325	2.561	0	30	FFAC	
COc1cc(OC)c(C(=O)Nc2cccc3c2CCN(C)C3)cc1OC	3603747	PLZYEUWLUGOFIW-UHFFFAOYSA-N	356.422	2.953	0	30	FFAC	
CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccs2)CC1	1030021	LVNAARYQPOPHOO-UHFFFAOYSA-N	360.501	2.674	0	30	FFAC	
CSc1ncc(-c2nnc(SCC(=O)Nc3ccccc3)n2C)n1C	1039204	YNGXOSWAASZNRO-UHFFFAOYSA-N	374.495	2.668	0	30	FFAC	
CCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1NC(C)=O	6403768	KDRUOLUGIPIVOD-UHFFFAOYSA-N	370.814	2.514	0	30	FFAC	
CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]21C	253497920	OACVNSOUPWYEBL-BKZWLESFSA-N	364.526	2.927	0	30	FFAC	
FC(F)(F)c1nc(I)ncc1Br	575442479	TZSYMGTYNWYVDP-UHFFFAOYSA-N	352.879	2.863	0	30	FFAC	
Cc1ccc(S(=O)(=O)CCSc2nnc(-c3ccco3)n2C)cc1	1030751	HFSSAPYMNJZDCI-UHFFFAOYSA-N	363.464	2.950	0	30	FFAC	
O=C(OCc1ccccc1)N1C[C@@H]2CN(c3ccccc3)C[C@]2(C(=O)O)C1	503840039	FWUIPMYKPZLCBM-UWJYYQICSA-N	366.417	2.846	0	30	FFAC	
CSc1nccc(-c2ccc(S(=O)(=O)n3nc(C)cc3C)s2)n1	1038197	VPLUPLWLTHIHQE-UHFFFAOYSA-N	366.493	2.977	0	30	FFAC	
O=S(=O)(Cc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccccn1	1035933	LUHPTBVRPXOBQH-UHFFFAOYSA-N	374.443	2.950	0	30	FFAC	
CCCNC[C@@H](O)COc1cc(O)ccc1C(=O)CCc1ccccc1	22061106	LPJQQUPCLBDYRW-GOSISDBHSA-N	357.450	2.947	0	30	FFAC	in-vitro
C[C@H](C(=O)Nn1c(S)nc2cc(F)ccc2c1=O)c1ccc(F)cc1	950757544	RQRVPZPRYSETSI-VIFPVBQESA-N	361.373	2.837	0	30	FFAC	
NS(=O)(=O)c1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1	4325294	LAHACCBCOVQCEG-UHFFFAOYSA-N	359.329	2.997	0	30	FFAC	
CC(=O)OCc1ccccc1S(=O)(=O)c1ccccc1COC(C)=O	1045344	YUPREPGOSDYKOA-UHFFFAOYSA-N	362.403	2.646	0	30	FFAC	
Nc1ccc(C(=O)Nc2ccc3cc(O)cc(S(=O)(=O)O)c3c2)cc1	5161832	PZSWEZPRWRUNGB-UHFFFAOYSA-N	358.375	2.627	0	30	FFAC	
COC(=O)c1ccsc1NC(=O)c1cc(OC)c(OC)c(OC)c1	1027244	HKEXKUFMLIKNJC-UHFFFAOYSA-N	351.380	2.813	0	30	FFAC	
CCCNS(=O)(=O)c1ccc(Cl)cc1I	2144142	SMFLXMLYZPBIPI-UHFFFAOYSA-N	359.616	2.633	0	30	FFAC	
COc1cc(OC)c2c(=O)oc(-c3cc(C)c(OCCO)c(C)c3)nc2c1	108647091	BNIALRZHBQQFQE-UHFFFAOYSA-N	371.389	2.860	0	30	FFAC	
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1O	15117448	DQMSOZCDDAULPH-UHFFFAOYSA-N	374.345	2.906	0	30	FFAC	biogenic
CN(C)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	226811335	MDSKSOAVAVTJHJ-IBGZPJMESA-N	368.433	2.930	0	30	FFAC	
Cc1ccc(NC(=O)NN2CC(=O)N(c3ccc(Cl)cc3)CC2=O)cc1	1036161	UFRNTCOXHHHFLX-UHFFFAOYSA-N	372.812	2.560	0	30	FFAC	
Cc1ccccc1-n1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2[nH]cnc21	8559666	IBNYDGGUXQHYIW-UHFFFAOYSA-N	366.808	2.886	0	30	FFAC	
Clc1cc(Br)c2ncc(I)n2n1	113138178	CSFRKRKCGOHTJB-UHFFFAOYSA-N	358.364	2.750	0	30	FFAC	
CCOC(=O)CN1C(=O)/C(=C\c2ccc(OC)cc2)N=C1c1ccccc1	4335470	VXOISKMERPJXBH-QGOAFFKASA-N	364.401	2.888	0	30	FFAC	
O=S(=O)(NC[C@@H](O)c1ccccc1)c1ccc(-c2ccccn2)s1	1033251	ZXSGNRLGJHGJSM-OAHLLOKOSA-N	360.460	2.822	0	30	FFAC	
O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(CC=Cc2ccccc2)CC1	2265272034	JQBIIYXKEFVGST-RBUKOAKNSA-N	356.466	2.735	0	30	FFAC	
O=S(=O)(c1ccccc1)n1c(C[C@@H]2CCCN2)cc2ccc(F)nc21	95937040	NVYLJDCCQFQSIY-AWEZNQCLSA-N	359.426	2.707	0	30	FFAC	
CCOC(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C	207138645	PPAZZPSWYIRKMT-UHFFFAOYSA-N	351.410	2.646	0	30	FFAC	
Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc2nonc2c1	1040128	ZDEFILUHVNULQI-UHFFFAOYSA-N	366.406	2.749	0	30	FFAC	
COCCCOc1ccnc(C[S@@](=O)C2Nc3ccccc3N2)c1C	136037145	NQQXWIAISNGZQI-VWLOTQADSA-N	361.467	2.875	0	30	FFAC	
CN(C(=O)c1ccc(Br)nc1)C1CN(C(=O)OC(C)(C)C)C1	812281583	UGCGYPRGSQNGBR-UHFFFAOYSA-N	370.247	2.535	0	30	FFAC	
CC1(C)O[C@@H]2C(Br)=C[C@@H](OCc3ccccc3)[C@H](O)[C@@H]2O1	2265352272	YWQHUEDEPNKZCE-BARDWOONSA-N	355.228	2.745	0	30	FFAC	
CCN1C(=O)[C@H](O)[C@](c2ccc(OC)cc2)(N(C)C)Sc2ccccc21	238791245	IIBSPZMHIAWSPC-AZUAARDMSA-N	372.490	2.929	0	30	FFAC	
CCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1	4347355	WOIWBFMHCCPROZ-UHFFFAOYSA-N	359.495	2.802	0	30	FFAC	
O[C@@H](CSc1nccc(-c2ccc3c(c2)OCCO3)n1)C(F)(F)F	1034419	UHEWXJJFCCKUGX-ZDUSSCGKSA-N	358.341	2.930	0	30	FFAC	
Cc1nc2ccccn2c1-c1ccnn1S(=O)(=O)c1ccc(F)cc1	1031668	MIQDORCMUFFCCO-UHFFFAOYSA-N	356.382	2.882	0	30	FFAC	
O=S(=O)(NC[C@H]1COc2ccccc2O1)c1cccc(C(F)(F)F)c1	1039212	YZJAICBCZIMNNL-LBPRGKRZSA-N	373.352	2.824	0	30	FFAC	
O=C(CSc1n[nH]c(=O)n1Cc1ccco1)Nc1ccccc1Cl	15923257	PQUSDFOCLLVVCM-UHFFFAOYSA-N	364.814	2.597	0	30	FFAC	
CCN1CC2(CCN(CCc3cc(F)ccc3F)CC2)O[C@H](C)C1=O	1857523617	KALIKXMQWFLZKB-CQSZACIVSA-N	352.425	2.609	0	30	FFAC	
CCOC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)OC(C)(C)C	210910129	XAWZMEMDSCFQDQ-SJORKVTESA-N	362.470	2.965	0	30	FFAC	
COc1ccc(CSc2n[nH]c(=O)n2-c2ccc3c(c2)OCCO3)cc1	1324205	FXAAJGLBDNIPER-UHFFFAOYSA-N	371.418	2.633	0	30	FFAC	
CC(C)c1ccc(NC(=O)CSc2n[nH]c(=O)n2-c2cccnc2)cc1	15923296	AKQJQBHXWZDFFV-UHFFFAOYSA-N	369.450	2.810	0	30	FFAC	
O=C(N[C@H]1COC[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21	85352613	SXJQMBNBCLUFOK-MSOLQXFVSA-N	353.374	2.625	0	30	FFAC	
O[C@H](COC1=NCNc2cc(Cl)ccc21)c1ccc2c(c1)OCCO2	4334034	HMUMAEWGHNNSKH-OAHLLOKOSA-N	360.797	2.991	0	30	FFAC	
O=C(O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC=Cc2ccccc2)CC1	2265272035	JQBIIYXKEFVGST-RTBURBONSA-N	356.466	2.735	0	30	FFAC	
CCOC(=O)[C@@]1(C(F)(F)F)N=C(c2cccc(C)c2)OC(N(C)C)=N1	4336760	RTJXHDCBBFQHRL-OAHLLOKOSA-N	357.332	2.511	0	30	FFAC	
C[C@@H]1Cn2ncc(I)c2CN1C(=O)OC(C)(C)C	616568001	UHHYMIGUBPLUDV-MRVPVSSYSA-N	363.199	2.627	0	30	FFAC	
CC(C)N(C(C)C)S(=O)(=O)c1ccc(NC(=O)c2cnccn2)cc1	1365565	DPDZQXNPJXZSMO-UHFFFAOYSA-N	362.455	2.536	0	30	FFAC	
O=S(=O)(c1ccc(NC(=S)N2CC=CCC2)cc1)N1CCCCC1	42782911	GDXKMAIGBBZMST-UHFFFAOYSA-N	365.524	2.820	0	30	FFAC	
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@H]3CC(=O)[C@@]2(O)C1	2265351590	NMHSNRRBGTVQFD-VIJLVKMLSA-N	362.466	2.824	0	30	FFAC	
COC(=O)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1C(=O)OC(C)(C)C	725325661	WSPDYWKEWXLWLZ-CVEARBPZSA-N	364.442	2.649	0	30	FFAC	
CC(C)(C)OC(=O)N[C@H]1COc2cc(Br)ccc2NC1=O	306769326	AEVORMIIXQAJCA-JTQLQIEISA-N	357.204	2.673	0	30	FFAC	
COC(=O)/C(=C\c1ccc(OC(C)=O)c(OC)c1)NC(=O)c1ccccc1	1041108	GJVFQIGMPCUAPK-LFIBNONCSA-N	369.373	2.564	0	30	FFAC	
CC1(C)O[C@@H]2[C@@H](OCc3ccccc3)O[C@H]([C@H]3COC(C)(C)O3)[C@@H]2O1	34244867	FDOXFJBHCHWEOL-NRKLIOEPSA-N	350.411	2.600	0	30	FFAC	in-vitro
CN(C)C=Nc1nc2ncc(-c3ccc(Cl)cc3)c(N=CN(C)C)n2n1	254696779	BULDNYBYEPLDOD-UHFFFAOYSA-N	370.848	2.888	0	30	FFAC	
O=C(O)c1ccc(-c2cn3c(I)cnc3cn2)cc1	218008540	GLIBAJZLMHLEAN-UHFFFAOYSA-N	365.130	2.699	0	30	FFAC	
Cc1cccc(C)c1OC(=O)[C@@H](c1ccccc1)N1CCN(CCO)CC1	22042224	GMMLLAIEKDNMER-HXUWFJFHSA-N	368.477	2.560	0	30	FFAC	
CC(C)(C)OC(=O)C(C)(C)S(=O)(=O)c1ccc(C(F)(F)F)cn1	1046948	PLHSBKPCKWJAJU-UHFFFAOYSA-N	353.362	2.994	0	30	FFAC	
CCCc1c(C)nn(C(=O)C(C#N)=NNc2ccccc2[N+](=O)[O-])c1C	254835963	BAUWXBLOCHWLKQ-UHFFFAOYSA-N	354.370	2.993	0	30	FFAC	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C2=O)C(=O)C(C)(C)C(=O)C[C@H]1C	32273364	PWLHVTJCMHHDOD-CVJBHZAOSA-N	366.797	2.875	0	30	FFAC	
O=C(O)/C=C/C(=O)NCCNc1ncnc2scc(-c3ccccc3)c12	4299572	ZLMWHZCEYXFTGF-VOTSOKGWSA-N	368.418	2.527	0	30	FFAC	
C[C@]1(F)C(=O)O[C@@H](COC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	140320231	OUKYMZJNLWKCSO-TWOQFEAHSA-N	372.348	2.723	0	30	FFAC	
O=S(=O)(NNC(=S)Nc1ccccc1F)c1ccc(Cl)cc1	1023431	ISZRIUGNGMCOKI-UHFFFAOYSA-N	359.835	2.659	0	30	FFAC	
CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccc(Cl)cc2)CC1	19835294	RNTGNRUKOQQULG-UHFFFAOYSA-N	367.877	2.623	0	30	FFAC	
CC(=O)Nc1cccc(-n2nnc(SCC(=O)c3ccc(C)cc3)n2)c1	1030088	IIPAMXUCQXZPMH-UHFFFAOYSA-N	367.434	2.904	0	30	FFAC	
C[C@H](C(=O)N[C@H]1c2ccccc2C[C@@H]1c1ccccc1)N1CCOCC1	145867637	ISFFDUCXGWBMNQ-HBGVWJBISA-N	350.462	2.905	0	30	FFAC	
Cc1ccc(S(=O)(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1	1023436	BIDRVMSLUWJENX-UHFFFAOYSA-N	354.472	2.627	0	30	FFAC	
Cc1cc(CNC(=O)CN2C(=O)c3ccccc3C2=O)c(C(F)(F)F)o1	1034429	GXBYRMHHHSMASC-UHFFFAOYSA-N	366.295	2.519	0	30	FFAC	
O=C(N[C@]1(C(=O)O)CCOC1)OCC1c2ccccc2-c2ccccc21	78679993	SRLUOBNBKTVLPZ-HXUWFJFHSA-N	353.374	2.769	0	30	FFAC	
COc1cc(/C=C2\SC(=N)NC2=O)ccc1OCC(=O)OC(C)(C)C	1772715417	QHZQKGSHSFZITM-JYRVWZFOSA-N	364.423	2.554	0	30	FFAC	
O=S(=O)(c1ccc2c(c1)OCCO2)N1CC=C(c2ccccc2)CC1	4389199	WSOHJKZJPRVWMY-UHFFFAOYSA-N	357.431	2.936	0	30	FFAC	
Cc1ccc(S(=O)(=O)NC2=C(C(=O)O)[C@@H]3CCCC[C@H]3S2)cc1	2265352177	UPAFLGDARXXBQH-CHWSQXEVSA-N	353.465	2.875	0	30	FFAC	
CCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1	4297039	YQVISLXZBTVKNJ-UHFFFAOYSA-N	352.416	2.705	0	30	FFAC	
O=C(O)c1nccnc1C(=O)NCCSCc1c(F)cccc1Cl	4324973	YAPFBLQFKJCRCG-UHFFFAOYSA-N	369.805	2.631	0	30	FFAC	
CC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]21C	35635722	JGIRPEXTUMTWKF-DLEUESPNSA-N	356.462	2.992	0	30	FFAC	
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC(=O)[C@@]2(O)C1	2265351591	NMHSNRRBGTVQFD-WTAABACESA-N	362.466	2.824	0	30	FFAC	
CC(C)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1	225009430	ZCLDGTLOGGRLSD-VQTJNVASSA-N	368.477	2.831	0	30	FFAC	
COC(=O)c1cc(F)c(Br)cc1I	306355594	VFIPESRVHGPRQF-UHFFFAOYSA-N	358.932	2.979	0	30	FFAC	
O[C@@H](COC1=NCNc2cc(Cl)ccc21)c1ccc2c(c1)OCCO2	4334036	HMUMAEWGHNNSKH-HNNXBMFYSA-N	360.797	2.991	0	30	FFAC	
CCOC(=O)c1cc(-c2ncc(Br)cc2OC)n(CC)n1	230547550	OQRDGGLLOIZNJS-UHFFFAOYSA-N	354.204	2.913	0	30	FFAC	
CCOC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C	138229031	XAWZMEMDSCFQDQ-IAGOWNOFSA-N	362.470	2.965	0	30	FFAC	
CCOC(=O)[C@H](C)Oc1ccc(/C=C2\SC(=N)NC2=O)cc1OCC	1772715442	BNRFMRVKKHKWEE-ADVUTCEVSA-N	364.423	2.554	0	30	FFAC	
CC[C@H](C)[C@@H](C)C(=O)Nc1ccc2ncn3c(=O)c(C(=O)O)cnc3c2c1	5925320	YWYURKUOLLVUCU-WDEREUQCSA-N	368.393	2.562	0	30	FFAC	
O=C(NCCN1CCN(Cc2ccccc2)CC1)Nc1ccc(F)cc1F	19834830	PRBRCKAZNWWOIF-UHFFFAOYSA-N	374.435	2.904	0	30	FFAC	
C[C@@H](Cc1ccsc1)NC(=O)NC[C@@H](Cc1ccc(O)cc1)N(C)C	888086903	MEDBIJOVZJEMBI-WMLDXEAASA-N	361.511	2.857	0	30	FFAC	in-vitro
COc1cccc(OC)c1NC(=O)NC(=O)c1c(OC)cccc1OC	1044667	INLCAWNKVYCDRS-UHFFFAOYSA-N	360.366	2.683	0	30	FFAC	
O=C1C(=NNc2ccccc2Cl)c2ccccc2N1CN1CCOCC1	254592853	MLSPQTBTUDCLHJ-UHFFFAOYSA-N	370.840	2.793	0	30	FFAC	
Cn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1C(F)(F)F	4395001	GDVBGGGRFOLTHG-UHFFFAOYSA-N	359.329	2.580	0	30	FFAC	
CC(C)(C)OC(=O)N[C@@H]1COc2cc(Br)ccc2NC1=O	306769329	AEVORMIIXQAJCA-SNVBAGLBSA-N	357.204	2.673	0	30	FFAC	
O=C(OCC1c2ccccc2-c2ccccc21)N1C[C@H]2COC[C@@H](C1)N2	605706899	UZSXWXBRLUHTTE-GASCZTMLSA-N	350.418	2.608	0	30	FFAC	
Cc1ccc(S(=O)(=O)NC2=C(C(=O)O)[C@H]3CCCC[C@@H]3S2)cc1	2265352180	UPAFLGDARXXBQH-STQMWFEESA-N	353.465	2.875	0	30	FFAC	
O=C1CCN(Cc2cccnc2)CCN1Cc1ccc(C(F)(F)F)nc1	19616148	BOHSZWQXGAVXQN-UHFFFAOYSA-N	364.371	2.730	0	30	FFAC	
CC(=O)N1CC(=O)N(Cc2ccccc2)C(=Cc2ccc(F)cc2)C1=O	1389698	OXHSYTNVLWPFBC-UHFFFAOYSA-N	352.365	2.584	0	30	FFAC	
CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	253497924	OACVNSOUPWYEBL-YXLLZCSRSA-N	364.526	2.927	0	30	FFAC	
O[C@@H](CNCCNc1ncccc1C(F)(F)F)COc1ccc(F)cc1	2141878	ONWODZGYBGJKFQ-ZDUSSCGKSA-N	373.350	2.681	0	30	FFAC	
Cc1ccccc1NC(=O)NC(=O)CN1CCC(O)(c2ccccc2)CC1	33865296	FTQBXLXHQPXDND-UHFFFAOYSA-N	367.449	2.627	0	30	FFAC	
CCOC(=O)C(=CNc1ccc(Oc2cccnc2)nc1)C(=O)OCC	2152804	KONCJEVNYOIVBP-UHFFFAOYSA-N	357.366	2.691	0	30	FFAC	
COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)c1cccc(F)c1	1042581	XTDHDFZCEZAPSX-UHFFFAOYSA-N	363.341	2.890	0	30	FFAC	
C=C(Br)S(=O)(=O)Oc1c(F)c(F)c(F)c(F)c1F	137850980	PLQAIYAFGNMORF-UHFFFAOYSA-N	353.062	2.957	0	30	FFAC	
O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1ccccc1Cl	1029697	QXLNKTXVXTUHAF-UHFFFAOYSA-N	361.814	2.752	0	30	FFAC	
O[C@@H](CNCCNc1nccc(C(F)(F)F)n1)CSc1ccccc1	4299446	ZMHPJEUQVNFNNB-LBPRGKRZSA-N	372.416	2.650	0	30	FFAC	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C2=O)[C@@H](OC)CC(=O)C[C@H]1C	8585061	IIUZTXTZRGLYTI-DBTLXHFBSA-N	354.786	2.685	0	30	FFAC	biogenic
O=c1c(Cl)c(N2CCOCC2)cnn1-c1ccc(C(F)(F)F)cc1	1047164	HXUVJSLEGOINLK-UHFFFAOYSA-N	359.735	2.741	0	30	FFAC	
O=C(CSCCS(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1	3083015	FHAHVWJDKJSSBI-UHFFFAOYSA-N	361.916	2.859	0	30	FFAC	
O=C(N[C@]1(C(=O)O)C[C@H](O)C1)OCC1c2ccccc2-c2ccccc21	725240392	BJIOQZLQMVAEFZ-KWUMSVIQSA-N	353.374	2.503	0	30	FFAC	
O=C(c1ccc(F)cc1)C1CCN([C@@H]2Cc3c(O)cccc3C[C@H]2O)CC1	473085957	ZJFKUDWLHAHZSP-TZIWHRDSSA-N	369.436	2.954	0	30	FFAC	
CC(=O)Nc1ccc(S(=O)(=O)Nc2nccn2Cc2ccccc2)cc1	33866243	GLPZJSPKYUVIPF-UHFFFAOYSA-N	370.434	2.691	0	30	FFAC	
O=S(=O)(c1ccccc1)n1c(C[C@H]2CCCN2)cc2ccc(F)nc21	95937039	NVYLJDCCQFQSIY-CQSZACIVSA-N	359.426	2.707	0	30	FFAC	
CCS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccccc2OC)c1	1032436	FDHSVPOOCWINQT-UHFFFAOYSA-N	350.396	2.838	0	30	FFAC	
Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cccnc1N1CCOCC1	19834854	RKJUTBHIEQMNDQ-UHFFFAOYSA-N	366.343	2.893	0	30	FFAC	
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3CC(=O)[C@@]2(O)C1	2265351589	NMHSNRRBGTVQFD-OFJPHGDMSA-N	362.466	2.824	0	30	FFAC	
CN(C)CC(=O)c1ccc2c(c1)Cc1cc(C(=O)CN(C)C)ccc1O2	2007925	MCGUIXIFIYPRRO-UHFFFAOYSA-N	352.434	2.872	0	30	FFAC	
C=C[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1[C@H](CO)C(=O)OC	257453446	JGKCGXVOATXMRM-WKCGWZECSA-N	354.450	2.671	0	30	FFAC	
COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc2c(c1)CCO2	1030200	PJIMZCLGHDAJBY-UHFFFAOYSA-N	353.421	2.579	0	30	FFAC	
CCOC(=O)c1cc2c(N3CCOCC3)nccc2nc1C(F)(F)F	1028251	JHVBMMATFVRCIG-UHFFFAOYSA-N	355.316	2.662	0	30	FFAC	
Cn1c(Cc2nc(-c3cnccn3)no2)nnc1SCc1ccccc1	1040022	ZMLADOSQBBZMQW-UHFFFAOYSA-N	365.422	2.538	0	30	FFAC	
CCOC(=O)C(=CNc1cc(OC)ccc1-n1cccc1)C(=O)OCC	100254851	VIXKKKDINTZHED-UHFFFAOYSA-N	358.394	2.908	0	30	FFAC	
O=C(NC(=S)NC[C@H]1COc2ccccc2O1)c1ccc(Cl)cc1	4362215	HFYBQLDXXLILGQ-ZDUSSCGKSA-N	362.838	2.784	0	30	FFAC	
CCOC(=O)[C@](NC(C)=O)(Nc1ccc(F)c(Cl)c1)C(F)(F)F	3138006	LJYMQRUXEFGNED-LBPRGKRZSA-N	356.703	2.849	0	30	FFAC	
COC(=O)c1ccccc1S(=O)(=O)N[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2	215716853	YQHLFNDXPAKQNU-IWEFOYFVSA-N	351.468	2.966	0	30	FFAC	
COc1ccc(S(=O)(=O)Nc2cccc(-c3ncon3)c2)cc1OC	1035075	HIYWKKHEUBSHAQ-UHFFFAOYSA-N	361.379	2.555	0	30	FFAC	
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)cc1	1034303	ROQVACBBGKWBBC-UHFFFAOYSA-N	359.329	2.860	0	30	FFAC	
O=S(=O)(C[C@@H](O)COc1ccc(Br)cc1)c1ccccc1	1042337	SLVNRCGYBHBPKF-ZDUSSCGKSA-N	371.252	2.663	0	30	FFAC	
O=C1C=CC(=O)N1CCCCCCCCCCCCN1C(=O)C=CC1=O	5133130	OEUTXEVXKFXZPB-UHFFFAOYSA-N	360.454	2.737	0	30	FFAC	
COc1cc(O)c(OC)c(Br)c1I	72232961	UJCWNCAASGHMOY-UHFFFAOYSA-N	358.957	2.777	0	30	FFAC	
COC(=O)c1sc(C(C)(C)C)cc1NC(=O)c1nccnc1C(=O)O	1032537	IEJLOGOSICZXJU-UHFFFAOYSA-N	363.395	2.573	0	30	FFAC	
O=c1c2[nH]cnc2n(-c2cccc(Cl)c2)c(=O)n1Cc1ccccc1	8553694	XOINTZNHWHXINB-UHFFFAOYSA-N	352.781	2.577	0	30	FFAC	
O=C1c2[nH]c3cc(-c4ccccc4)nn3c(=O)c2CN1Cc1ccccc1	100229513	USUFKXMSUFWYSD-UHFFFAOYSA-N	356.385	2.846	0	30	FFAC	
COC(=O)[C@H](C=NOCc1ccc(Cl)cc1)NC(=O)c1ccccc1	254294131	TWKSEHXIEQAQOH-INIZCTEOSA-N	360.797	2.814	0	30	FFAC	
Cc1nn(-c2ccccc2)nc1C(=O)N(C)c1nnc(C(F)(F)F)s1	1034155	PHKXGTKJXBRBEA-UHFFFAOYSA-N	368.344	2.723	0	30	FFAC	
CC(C)(C)OC(=O)N1CCC[C@]1(C(=O)O)c1cnc(Br)cn1	254286930	ZQDPXPHRZSGRTD-CQSZACIVSA-N	372.219	2.550	0	30	FFAC	
C[C@@H](c1ccccc1)n1c(SCC(=O)Nc2ccccc2)n[nH]c1=O	15923282	LSVRZEWNVPZONL-ZDUSSCGKSA-N	354.435	2.912	0	30	FFAC	
Cn1cc(Br)c(-c2cccc(NC(=O)CCC(=O)O)c2)n1	4324711	CBSRRUVFYMTCIH-UHFFFAOYSA-N	352.188	2.653	0	30	FFAC	
O=C(O[C@@H](CN1CCC2(CC1)OCCO2)C(F)(F)F)c1cccs1	33925644	UCPAJZRDEDCRMI-LBPRGKRZSA-N	365.373	2.675	0	30	FFAC	
CSc1ccc(-n2c(=O)n(Cc3ccccc3)c(=O)c3[nH]cnc32)cc1	8568512	PPLNZCCGTLXJOI-UHFFFAOYSA-N	364.430	2.646	0	30	FFAC	
COc1ccc(CN[C@H](Cc2ncncc2C(=O)O)SC)cc1Cl	299754744	NNEFVYGTYDMCDF-HNNXBMFYSA-N	367.858	2.858	0	30	FFAC	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C2=O)C(=O)C(C)(C)C(=O)C[C@@H]1C	32273361	PWLHVTJCMHHDOD-ASCAZGACSA-N	366.797	2.875	0	30	FFAC	
CC(C)(C)OC(=O)Nc1ccc(B(O)OC(C)(C)C(C)(C)O)c(Cl)c1	232321707	UVBFOOHYWXAIBG-UHFFFAOYSA-N	371.670	2.941	0	30	FFAC	
Cc1cc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)no1	4861525	YTOFTZLCNJINTC-UHFFFAOYSA-N	350.425	2.629	0	30	FFAC	
COc1ccccc1NC(=O)NCCN1CCN(Cc2ccccc2)CC1	19834832	BCDKDNVFEOLISQ-UHFFFAOYSA-N	368.481	2.635	0	30	FFAC	
C[C@@H](/C=C/[C@@H](C)C(C)(C)O)[C@]1(O)CC[C@@H]2C3=CC(=O)O[C@]3(O)CC[C@@]21C	263589994	VTJBUEPNESMAHX-AEUFJTRKSA-N	364.482	2.699	0	30	FFAC	
C[C@H]1CC(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(F)cc1F	1034399	QNRGNILAJSTWNK-JTQLQIEISA-N	352.362	2.891	0	30	FFAC	
O=C(OCc1ccccc1)c1cnc(N2CCOCC2)nc1C(F)(F)F	1026586	LPEZYLOBUSXXJU-UHFFFAOYSA-N	367.327	2.689	0	30	FFAC	
CC(C)S(=O)(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1	4365120	QZYBAPIBVUQAFH-UHFFFAOYSA-N	353.875	2.748	0	30	FFAC	
C[S@](=O)(=NS(=O)(=O)c1cccc2nsnc12)c1ccccc1	13466355	FFSCAJIYXHFOFT-OAQYLSRUSA-N	353.450	2.537	0	30	FFAC	
Cc1cc(C(=O)Nc2ccc3c(O)cc(S(=O)(=O)O)cc3c2)ccc1N	5419635	HSSHAQANFGBAQC-UHFFFAOYSA-N	372.402	2.935	0	30	FFAC	
O=C([C@@H]1CNC[C@@H]2CCCC[C@H]12)N1CCN(c2ccc(F)c(F)c2)CC1	204985926	GTFGJWUPEQHQMJ-BHYGNILZSA-N	363.452	2.639	0	30	FFAC	
Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CCCO)oc21	34270168	DUDZQILYYFULFJ-UHFFFAOYSA-N	374.824	2.640	0	30	FFAC	
CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(C)c(Cl)c2)CC1	1035098	RFSNEYDBFIAPJF-UHFFFAOYSA-N	360.863	2.548	0	30	FFAC	
CC(C)CCCCCc1c(O)ccc(S(=O)(=O)O)c1S(=O)(=O)O	33650271	PUPCNWZKEGTUHL-UHFFFAOYSA-N	366.457	2.645	0	30	FFAC	
COC(=O)c1cc(Br)c(F)c(I)c1	1565503692	QWEDTZBHGAOCJQ-UHFFFAOYSA-N	358.932	2.979	0	30	FFAC	
O=C(NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(Cl)cc1F	4382866	NJXJFUCJROJMRK-UHFFFAOYSA-N	356.687	2.652	0	30	FFAC	
CC(C)(C)OC(=O)N[C@H](CO)c1ccccc1I	685945762	PTZBJLZATWPQEX-LLVKDONJSA-N	363.195	2.849	0	30	FFAC	
COC(=O)[C@@H](c1ccccc1Cl)N1CC[C@@H](S)/C(=C/C(=O)O)C1	146407993	CWUDNVCEAAXNQA-HRNUACCPSA-N	355.843	2.569	0	30	FFAC	in-vitro
O=S(=O)(c1ccc(Br)cc1Cl)N1CCSCC1	37575075	UYOODSFFADHQBU-UHFFFAOYSA-N	356.694	2.840	0	30	FFAC	
COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)[C@@H](C)CC(=O)C[C@@H]1OC	8585063	IIUZTXTZRGLYTI-LNXATJJDSA-N	354.786	2.685	0	30	FFAC	biogenic
CS(=O)(=O)NCCSc1cc(C(F)(F)F)nc2ccccc12	3125787	MOZLNBUXNKZTJA-UHFFFAOYSA-N	350.387	2.895	0	30	FFAC	
O=C(c1cc(F)cc2c1OCOC2)N1CCN(c2ccc(F)cc2)CC1	1025710	ZSUNCNHIESXANE-UHFFFAOYSA-N	360.360	2.794	0	30	FFAC	
COc1c(-c2ccc3c(c2)OCO3)oc2cc3c(c(OC)c2c1=O)OCO3	1647149	FMZYQDFWORSVBZ-UHFFFAOYSA-N	370.313	2.935	0	30	FFAC	biogenic
O=C(C[C@@H]1NCCN(Cc2ccccc2)C1=O)Nc1ccc(Cl)cc1	4323683	HQDFIGREQWXMGT-KRWDZBQOSA-N	357.841	2.669	0	30	FFAC	
O=C1NC(=O)[C@H]2[C@H]1[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	5248429	VTOLQEMXZUTSMA-ASRHOXTCSA-N	369.846	2.721	0	30	FFAC	
O=S(=O)(Oc1cccc(N2CCOCC2)c1)c1ccc(Cl)cc1	4306653	QCMNYGJTFJAYSO-UHFFFAOYSA-N	353.827	2.944	0	30	FFAC	
O=C1C(=NNc2ccc(Cl)cc2)c2ccccc2N1CN1CCOCC1	254521010	LGZHTTOKOVRTHB-UHFFFAOYSA-N	370.840	2.793	0	30	FFAC	
CCOc1cc(CNc2cn[nH]c(=O)c2Br)ccc1OC	596989	KNIKAZNCSPYOED-UHFFFAOYSA-N	354.204	2.552	0	30	FFAC	investigational
NS(=O)(=O)c1cccc(NC(=O)c2cccnc2Oc2ccccc2)c1	4325281	IBZZWTRAOWFVTM-UHFFFAOYSA-N	369.402	2.774	0	30	FFAC	
CCOC(=O)C(C#N)=CN1CCN(c2cccc(C(F)(F)F)c2)CC1	34864726	RBNKHPIGKQKVKH-UHFFFAOYSA-N	353.344	2.798	0	30	FFAC	
O=C(NCC1(C(=O)O)CC(O)C1)OCC1c2ccccc2-c2ccccc21	722628887	IMYLQQALXZICBI-UHFFFAOYSA-N	367.401	2.751	0	30	FFAC	
O=C1NC(=O)[C@@H]2[C@@H]1[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	3096635	VTOLQEMXZUTSMA-JJGPICPWSA-N	369.846	2.721	0	30	FFAC	
CCOC(=O)C1=NO[C@@H]2[C@H]1CCC21CCN(C(=O)OC(C)(C)C)CC1	605706901	XTMSTRDONOGEKE-GXTWGEPZSA-N	352.431	2.732	0	30	FFAC	
COC(=O)c1ccccc1S(=O)(=O)N[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2	100244329	YQHLFNDXPAKQNU-XZOAIXRZSA-N	351.468	2.966	0	30	FFAC	
O=C(NCc1ccco1)C1CCN(c2nccc(C(F)(F)F)n2)CC1	1048515	ZKTBXJCZEVZFFD-UHFFFAOYSA-N	354.332	2.621	0	30	FFAC	
COC(=O)/N=c1/[nH]c2ccc(C3(c4ccc(F)cc4)OCCO3)cc2[nH]1	5386462	PEVOWKBJMJVUSV-UHFFFAOYSA-N	357.341	2.550	0	30	FFAC	in-man
CC(C)(C)OC(=O)N[C@H]1CCCN(c2cnc(Br)cn2)C1	809349964	JEEUPZUGGHXRAK-JTQLQIEISA-N	357.252	2.733	0	30	FFAC	
COc1cccc(OC)c1-c1nn(-c2ccc(C(F)(F)F)cn2)c(=O)o1	1043025	YAQIGMAZEPVCID-UHFFFAOYSA-N	367.283	2.924	0	30	FFAC	
O=C(O)C1CCN(C(=O)c2csc(-c3ccc4c(c3)CCO4)n2)CC1	4332849	LGVNGMWVNWKZMC-UHFFFAOYSA-N	358.419	2.682	0	30	FFAC	
CO[C@@H](C)Cn1c(=O)n(C)c2cnc3ccc(Br)cc3c21	143172522	LQXNSMGAPOCMCP-VIFPVBQESA-N	350.216	2.686	0	30	FFAC	
COc1ccc2nccc([C@H](OC(C)=O)[C@H]3C[C@@H]4CCN3CC4=O)c2c1	22047046	JYRRDLVMUWTZKM-VIZZQPHQSA-N	354.406	2.511	0	30	FFAC	in-vitro
O=C1CS(=O)(=O)[C@H](c2ccccn2)N1c1ccc(C(F)(F)F)cc1	1046088	NVRRIRIYPASEOZ-CQSZACIVSA-N	356.325	2.561	0	30	FFAC	
Ic1cccc(CNc2ncnc3[nH]cnc23)c1	34094853	WHYVKEGFJPLEJZ-UHFFFAOYSA-N	351.151	2.570	0	30	FFAC	
Cc1nc(-c2nnn(C)c2CO[C@@H]2CCCCO2)ccc1Br	2090611702	SMBRPBZLTNVLJP-CQSZACIVSA-N	367.247	2.991	0	30	FFAC	
Cc1nc(N2CC[C@@H](O)C2)ncc1-c1cc(C(F)(F)F)cc2[nH]ncc12	222300110	BNTAEJNPQLMGDJ-LLVKDONJSA-N	363.343	2.918	0	30	FFAC	
CCOC(=O)[C@@](NC(C)=O)(Nc1ccc(F)c(Cl)c1)C(F)(F)F	3138007	LJYMQRUXEFGNED-GFCCVEGCSA-N	356.703	2.849	0	30	FFAC	
COc1c(N2C[C@@H]3CCCN[C@H]3C2)c(F)cc2c(=O)ccn(C3CC3)c12	504477355	OULQTEYVKYNDBD-LRDDRELGSA-N	357.429	2.672	0	30	FFAC	
O=C(NC(=S)NC[C@@H]1COc2ccccc2O1)c1ccc(Cl)cc1	4362217	HFYBQLDXXLILGQ-CYBMUJFWSA-N	362.838	2.784	0	30	FFAC	
COc1ccc(NC(=S)NCCNC(=O)OC(C)(C)C)c(OC)c1	3078760	SRDDNKHDTATKTM-UHFFFAOYSA-N	355.460	2.515	0	30	FFAC	
COc1cccc(NC(=S)NNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c1	102933080	GWYFHFIGTZDVDE-MJVIPROJSA-N	350.513	2.549	0	30	FFAC	
CC(=O)Nc1nnc(SCC(=O)Nc2ccc(F)c(F)c2F)s1	1046854	MHDFWSBVCVDIFS-UHFFFAOYSA-N	362.358	2.645	0	30	FFAC	
CSC1=NCCCN1C(=O)c1ccccc1I	1024686	LYRUYTGKAYXAEI-UHFFFAOYSA-N	360.220	2.856	0	30	FFAC	
CCOC(=O)[C@@](NC(C)=O)(Nc1nc2ccccc2s1)C(F)(F)F	3138607	ZDOQDSDMFVXPCV-CYBMUJFWSA-N	361.345	2.666	0	30	FFAC	
CON=C(CNS(=O)(=O)c1ccc(OC)cc1)c1ccc(Cl)cc1	254835969	BGHHLBANQQEMRK-UHFFFAOYSA-N	368.842	2.678	0	30	FFAC	
O=C(O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)O)ccc1Cl	1848537	XYUBQRPKIVSWKI-UHFFFAOYSA-N	355.755	2.537	0	30	FFAC	
CC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	6031564	OACVNSOUPWYEBL-JZOCASSUSA-N	364.526	2.927	0	30	FFAC	
C[C@H]1Cn2ncc(I)c2CN1C(=O)OC(C)(C)C	616568002	UHHYMIGUBPLUDV-QMMMGPOBSA-N	363.199	2.627	0	30	FFAC	
O=C(O)CC1(NC(=O)OCC2c3ccccc3-c3ccccc32)COC1	686799055	YZBAYXGEJDPBAY-UHFFFAOYSA-N	353.374	2.769	0	30	FFAC	
CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	1023427	PHWPGBTVLWBDSE-UHFFFAOYSA-N	374.890	2.972	0	30	FFAC	
COc1cc(C(=O)N2CCOCC2)cc(OC)c1OCc1ccccc1	16642892	SOJNZLHAYIICJR-UHFFFAOYSA-N	357.406	2.755	0	30	FFAC	
O=C(O)[C@H](NS(=O)(=O)c1cccc(Br)c1)c1ccccc1	20362753	IYTROVWEWOADKW-CYBMUJFWSA-N	370.224	2.553	0	30	FFAC	
COc1ccc(CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC	4362567	UYALHBAJRAJZHH-UHFFFAOYSA-N	356.422	2.722	0	30	FFAC	
O=S(=O)(CCS(=O)(=O)c1cccs1)c1ccc(Cl)cc1	1037644	OWDHHSCIHNGENE-UHFFFAOYSA-N	350.870	2.649	0	30	FFAC	
O=C(O)CSCC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C(F)(F)F	4389896	ZKIBSSZBNRZUDP-HNNXBMFYSA-N	372.368	2.974	0	30	FFAC	
C[C@@H]1CCC[C@H](O[C@@H]2C[C@H](N3C(=O)c4ccccc4C3=O)CO[C@@H]2C)O1	575417405	DEQVFTYGKFLFCN-KAISUZLGSA-N	359.422	2.760	0	30	FFAC	in-vitro
O=S(=O)(NC1CCCCC1)c1ccccc1I	1040961	PHANKNYXNUCYNE-UHFFFAOYSA-N	365.236	2.902	0	30	FFAC	
O=S(=O)(Oc1ccccc1N1CCOCC1)c1cccc(Cl)c1	4332758	WNVGEBVVADSJHG-UHFFFAOYSA-N	353.827	2.944	0	30	FFAC	
Cn1c(SCc2cc(=O)oc3cc(O)ccc23)nnc1C(F)(F)F	4394883	BLRGJGWJAKSBMW-UHFFFAOYSA-N	357.313	2.938	0	30	FFAC	
COc1cc2c(cc1O)[C@@H]([C@@H]1OC(=O)c3c1ccc1c3OCO1)N(C)CC2	14414509	IORPHWDBRHOADK-ZWKOTPCHSA-N	369.373	2.570	0	30	FFAC	biogenic
CC(C)(C)OC(=O)N[C@@H](CO)c1ccccc1I	685945763	PTZBJLZATWPQEX-NSHDSACASA-N	363.195	2.849	0	30	FFAC	
COc1ccc(COC[C@@H](O)CS(=O)(=O)c2ccc(Cl)cc2)cc1	1042343	DDSFCLUYYROOFA-OAHLLOKOSA-N	370.854	2.700	0	30	FFAC	
CS(=O)(=O)Nc1ccccc1-c1nnc(Cc2cc(F)cc(F)c2)o1	1047181	YBRDAEZQYFMICC-UHFFFAOYSA-N	365.361	2.977	0	30	FFAC	
CC(C)CCCOC(=O)C[C@H](C(=O)OCCCC(C)C)S(=O)(=O)O	5758518	SLJNCDYIHFDEJR-CQSZACIVSA-N	366.476	2.592	0	30	FFAC	
CSc1ccc(Oc2ccc(S(N)(=O)=O)cc2CN(C)C)cc1	593140	VCNSPGHSQPMCFF-UHFFFAOYSA-N	352.481	2.910	0	30	FFAC	investigational
O=S(=O)(c1cc(Br)c(Cl)s1)N1CCSCC1	1043840	LSMITDFQTPOVLR-UHFFFAOYSA-N	362.723	2.902	0	30	FFAC	
C[C@H](Cc1ccsc1)NC(=O)NC[C@@H](Cc1ccc(O)cc1)N(C)C	888086902	MEDBIJOVZJEMBI-RHSMWYFYSA-N	361.511	2.857	0	30	FFAC	in-vitro
COc1nc(Br)cc2[nH]cc(I)c12	14986171	PSJGFSMNRKCAMH-UHFFFAOYSA-N	352.957	2.939	0	30	FFAC	
C=C[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1[C@@H](CO)C(=O)OC	257453444	JGKCGXVOATXMRM-QUIPCFFLSA-N	354.450	2.671	0	30	FFAC	
CS(=O)(=O)c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1	71372291	ROKLXGNQQTZIIU-UHFFFAOYSA-N	355.419	2.587	0	30	FFAC	in-vitro
O=C(Nc1ccccc1N1CCOCC1)c1cc2ccccc2oc1=O	1040657	SODYOWFHAZSBPV-UHFFFAOYSA-N	350.374	2.882	0	30	FFAC	
CC(C)S(=O)(=O)c1ccc([C@H]2NCCc3cc4c(cc32)OCO4)cc1	31771294	SRKFWJCAFAQJMD-LJQANCHMSA-N	359.447	2.833	0	30	FFAC	
CS(=O)(=O)n1ccc(C=Cc2ncc(C(F)(F)F)cc2Cl)n1	2265279024	YYNXFBRZGAXKRJ-UHFFFAOYSA-N	351.737	2.928	0	30	FFAC	
COc1cc(OC)cc(N2C(=O)C[C@H](Sc3ccccc3N)C2=O)c1	1046122	RTMOWUCKLGAHGJ-INIZCTEOSA-N	358.419	2.710	0	30	FFAC	
O=C(CN1C(=O)c2ccccc2C1=O)NCc1cc2ccccc2s1	1034435	ZHKBLRDPBJZVGO-UHFFFAOYSA-N	350.399	2.814	0	30	FFAC	
O=C(N[C@@H](COC(=O)OCc1ccccc1)C(=O)O)OCc1ccccc1	2145471	KUTZESLKEBHGMZ-INIZCTEOSA-N	373.361	2.719	0	30	FFAC	
Cn1nc(C(=O)N2CCC(CN)(c3ccccc3)CC2)cc1C(F)(F)F	1342079544	KSHNWDLXDYTBTH-UHFFFAOYSA-N	366.387	2.572	0	30	FFAC	
CC(C)(C)OC(=O)N[C@@H]1CCCN(c2cnc(Br)cn2)C1	809349966	JEEUPZUGGHXRAK-SNVBAGLBSA-N	357.252	2.733	0	30	FFAC	
COc1cc(/C=C2/N=C(c3ccccc3)N(C)C2=O)cc(OC)c1OC	1036399	FPDMWGRHWKDOEL-XNTDXEJSSA-N	352.390	2.972	0	30	FFAC	
CCOC(=O)Cc1nc2c(Br)cc(C(F)(F)F)cn2n1	953018997	SIVVFXADFUNGKI-UHFFFAOYSA-N	352.110	2.616	0	30	FFAC	
CC[C@@H](C(=O)N1CCCC[C@@H]1C(=O)O)c1cc(OC)c(OC)c(OC)c1	143694365	QSLGUZZUFDIKSY-ZIAGYGMSSA-N	365.426	2.672	0	30	FFAC	
O=C(N[C@@]1(C(=O)O)CCOC1)OCC1c2ccccc2-c2ccccc21	78679997	SRLUOBNBKTVLPZ-FQEVSTJZSA-N	353.374	2.769	0	30	FFAC	
CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]21C	253497922	OACVNSOUPWYEBL-IOYNRXEBSA-N	364.526	2.927	0	30	FFAC	
O=C1O[C@H](c2ccc3c(c2)OCO3)[C@H]2c3cc4c(cc3CCN12)OCO4	39136238	UYZDPUHWCMJERO-QZTJIDSGSA-N	353.330	2.935	0	30	FFAC	
Cc1nc([C@H]2CCCCN2C(=O)OC(C)(C)C)nc(O)c1CC(=O)O	1615773703	MQDIDUJGNZKYHE-GFCCVEGCSA-N	351.403	2.580	0	30	FFAC	
O=C(NC(=O)c1ccccc1F)Nc1ccccc1C(=O)NCC1CC1	1042612	JMOSVOFFELMPBL-UHFFFAOYSA-N	355.369	2.927	0	30	FFAC	
COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)oc2C)cc1	1030192	CPRZIOUALOFNOU-UHFFFAOYSA-N	364.423	2.633	0	30	FFAC	
COc1ccc(-c2nc(CS(=O)(=O)c3ccsc3)no2)cc1OC	1047048	HJTHWYXTXLOPFU-UHFFFAOYSA-N	366.420	2.789	0	30	FFAC	
CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1	57449770	SFOZXGVTSXKHRN-UHFFFAOYSA-N	355.413	2.789	0	30	FFAC	
Cc1nc([C@@H]2CCCCN2C(=O)OC(C)(C)C)nc(O)c1CC(=O)O	1615773704	MQDIDUJGNZKYHE-LBPRGKRZSA-N	351.403	2.580	0	30	FFAC	
O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1ncc(Cl)cn1	216634905	RKRJQLQPDOQCGN-UHFFFAOYSA-N	360.647	2.593	0	30	FFAC	
C[C@@H](CCc1cncc2c1CCOC2=O)c1cncc2c1CCOC2=O	14618021	QMWNJTAFPCJRKK-LBPRGKRZSA-N	352.390	2.639	0	30	FFAC	biogenic
O=S(=O)(NCCc1c[nH]c2ccccc12)c1cccc2nsnc12	1040166	BBERBUISNJNEDJ-UHFFFAOYSA-N	358.448	2.694	0	30	FFAC	
CC(=O)Nc1cccc(OCCCNS(=O)(=O)c2ccc(F)cc2)c1	4321601	LUELVPRQSKTQRV-UHFFFAOYSA-N	366.414	2.532	0	30	FFAC	
CC(C)(C)OC(=O)N1[C@H]2CC(=O)C[C@H]1CN(C(=O)OCc1ccccc1)C2	143575638	OGHAOXSSAINZEV-HOTGVXAUSA-N	374.437	2.976	0	30	FFAC	
COCCOc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	4322841	OUTDJDMQAMWPCQ-UHFFFAOYSA-N	361.394	2.990	0	30	FFAC	
Cn1nc(-c2ccc(S(=O)(=O)N3CCCC3)s2)cc1C(F)(F)F	1038097	VNDFWRHEWPIEOQ-UHFFFAOYSA-N	365.402	2.952	0	30	FFAC	
CCCCNC(=O)n1ccc(-c2nn(-c3ccc(F)cc3)ccc2=O)n1	3129603	HEGJHMDLCKKLEV-UHFFFAOYSA-N	355.373	2.593	0	30	FFAC	
CCOC(=O)C(=CNc1sc(CC)cc1C(=O)OCC)C(=O)OCC	3179847	VDDJLAJEVPYUDE-UHFFFAOYSA-N	369.439	2.909	0	30	FFAC	
CN1C(CNc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O	521813803	IVXSKOFVQNVOBF-UHFFFAOYSA-N	357.844	2.769	0	30	FFAC	
COc1ccc(-n2ncc(C(=O)NCc3ccc4c(c3)OCO4)c2C)cc1	1032508	UHJRCSCGBCPZLQ-UHFFFAOYSA-N	365.389	2.848	0	30	FFAC	
CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C	4369548	OACVNSOUPWYEBL-GSNCUUIASA-N	364.526	2.927	0	30	FFAC	
COc1ccc(S(=O)(=O)NCc2c(F)cccc2Cl)cc1OC	1048667	TXOPDXUCRVDRJO-UHFFFAOYSA-N	359.806	2.975	0	30	FFAC	
CO[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O1	77302297	FKSXOZQTBMQUJG-KSZLIROESA-N	356.374	2.830	0	30	FFAC	in-vitro
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C[C@@H](O)[C@@]2(O)C1	2265351346	DUHMDQJMDPPEHC-UGEUXRSDSA-N	364.482	2.616	0	30	FFAC	
Cc1ccc(S(=O)(=O)NC2=C(C(=O)O)[C@@H]3CCCC[C@@H]3S2)cc1	2265352178	UPAFLGDARXXBQH-OLZOCXBDSA-N	353.465	2.875	0	30	FFAC	
C[C@H](CCc1cncc2c1CCOC2=O)c1cncc2c1CCOC2=O	14618022	QMWNJTAFPCJRKK-GFCCVEGCSA-N	352.390	2.639	0	30	FFAC	biogenic
Cc1ccc(S(=O)(=O)NC(=O)NCCSCc2ccco2)cc1	4364734	AOPSSYPGYKTWDZ-UHFFFAOYSA-N	354.453	2.509	0	30	FFAC	
COc1ccnc(C[S@@](=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1	13451976	KDLPLFBIOHDYKX-DEOSSOPVSA-N	353.350	2.876	0	30	FFAC	
O=C(C=Cc1ccc2c(c1)OCO2)N1CCN(Cc2ccccc2)CC1	2265241353	LHVVVXVYYKHWDS-UHFFFAOYSA-N	350.418	2.773	0	30	FFAC	
Cc1cc(NNS(=O)(=O)c2ccc(Cl)cc2)nc2c1c(C)nn2C	1038120	LLEZQLHYAIMBMW-UHFFFAOYSA-N	365.846	2.544	0	30	FFAC	
COc1cc(CC(=O)NCCCc2ccc(C)c(C)c2)ccc1OCCN	2009579	VVMIHZHLNJMAQP-UHFFFAOYSA-N	370.493	2.941	0	30	FFAC	investigational
CC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	2243578	BAMCBXJGFIFOHB-SFHVURJKSA-N	353.374	2.957	0	30	FFAC	
C[C@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C	888086901	MEDBIJOVZJEMBI-PBHICJAKSA-N	361.511	2.857	0	30	FFAC	in-vitro
O=C(CSc1n[nH]c(=O)n1C1Cc2ccccc2C1)Nc1ccccc1	4334276	DPISVNCSFFTUCR-UHFFFAOYSA-N	366.446	2.642	0	30	FFAC	
COC(=O)c1ccc(CNC(=O)Nc2ccc(C(=O)OC)cc2C)cc1	1040182	BBGBYXRFYZSPQF-UHFFFAOYSA-N	356.378	2.890	0	30	FFAC	
COc1cc(OC)cc(N2C(=O)C[C@@H](Sc3ccccc3N)C2=O)c1	100393890	RTMOWUCKLGAHGJ-MRXNPFEDSA-N	358.419	2.710	0	30	FFAC	
CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c1cc(Nc3nccc(Cl)n3)ccc12	214480688	QYTNIVJNLQPWJS-LSDHHAIUSA-N	371.828	2.728	0	30	FFAC	
CS(C)(=O)=NC(=O)c1cnn2c(C(F)(F)F)cc(C(F)(F)F)nc12	1038614	BWBLSAFYEKWUAB-UHFFFAOYSA-N	374.266	2.635	0	30	FFAC	
COc1c(N2C[C@H]3CCCN[C@H]3C2)c(F)cc2c(=O)ccn(C3CC3)c12	504477356	OULQTEYVKYNDBD-WBMJQRKESA-N	357.429	2.672	0	30	FFAC	in-vitro
Cc1cc(NC(=O)Nc2cccc(S(N)(=O)=O)c2)c(C(F)(F)F)o1	4325169	GFYKVDUIXILLAV-UHFFFAOYSA-N	363.317	2.898	0	30	FFAC	
COc1cc(Br)c(OC)c(O)c1I	72232960	BNBBXOOAIUHOIW-UHFFFAOYSA-N	358.957	2.777	0	30	FFAC	
COC(=O)CCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1	4363982	NNRKBYKPFQFYBG-UHFFFAOYSA-N	357.815	2.687	0	30	FFAC	
CC[C@@H](C)[C@H](C)C(=O)Nc1ccc2ncn3c(=O)c(C(=O)O)cnc3c2c1	5922666	YWYURKUOLLVUCU-MNOVXSKESA-N	368.393	2.562	0	30	FFAC	
C[C@@H]1OC[C@@H](N2C(=O)c3ccccc3C2=O)C[C@H]1O[C@H]1CCC[C@@H](C)O1	575417407	DEQVFTYGKFLFCN-ZCHQSPEWSA-N	359.422	2.760	0	30	FFAC	in-vitro
NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1	1033551	PTTQRLLAHZHAEV-UHFFFAOYSA-N	359.329	2.997	0	30	FFAC	
COCCCOc1ccnc(C[S@](=O)C2Nc3ccccc3N2)c1C	136037188	NQQXWIAISNGZQI-RUZDIDTESA-N	361.467	2.875	0	30	FFAC	
CC(C)(C)OC(=O)N1CCC[C@@]1(C(=O)O)c1cnc(Br)cn1	254286929	ZQDPXPHRZSGRTD-AWEZNQCLSA-N	372.219	2.550	0	30	FFAC	
Cc1nn(-c2ccccc2)nc1CNC(=O)c1cc(F)cc2c1OCOC2	1025716	JZQKRFLRJSSAIW-UHFFFAOYSA-N	368.368	2.511	0	30	FFAC	
COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)c(OC)cc3O)oc2c1	6483503	KGJTXYKKHKRNIM-UHFFFAOYSA-N	360.318	2.603	0	30	FFAC	biogenic,in-vitro
O=C(OCc1ccccc1)N1C[C@H]2CN(c3ccccc3)C[C@]2(C(=O)O)C1	503840038	FWUIPMYKPZLCBM-UTKZUKDTSA-N	366.417	2.846	0	30	FFAC	
CCOC(=O)Cc1csc(CS(=O)(=O)c2ccc(Cl)cc2)n1	1047397	AHTCUCSQNVQVLN-UHFFFAOYSA-N	359.856	2.876	0	30	FFAC	
CCN1C(=O)[C@@H](O)[C@](c2ccc(OC)cc2)(N(C)C)Sc2ccccc21	238791247	IIBSPZMHIAWSPC-UYAOXDASSA-N	372.490	2.929	0	30	FFAC	
O[C@@]1(CNCc2ccc(Cl)[nH]2)CCc2cc(-c3ccccc3)nn2C1	1772717773	YPOGMRHJNIBGSW-LJQANCHMSA-N	356.857	2.999	0	30	FFAC	
O=C(O)c1ccccc1C(=O)NCCNc1ccc(C(F)(F)F)cn1	4299548	JJADPGJGJWGZCW-UHFFFAOYSA-N	353.300	2.641	0	30	FFAC	
COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCc1ccc(Cl)cc1	1029733	HYDRAQOFFMMDNS-UHFFFAOYSA-N	357.815	2.815	0	30	FFAC	
Cc1c(S(=O)(=O)N[C@H]2CCCCNC2=O)sc2ccc(Cl)cc12	1034457	VOQDODFQQGWFRO-LBPRGKRZSA-N	372.899	2.810	0	30	FFAC	
O=C1C[C@@H]2[C@@H](C[C@H](OC(=O)c3ccc(-c4ccccc4)cc3)[C@H]2CO)O1	622145	SZJVIFMPKWMGSX-OKYOBFRVSA-N	352.386	2.823	0	30	FFAC	in-vitro
CCOC(=O)c1cc(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2o1	1033307	RDACVLLLTQPBPC-UHFFFAOYSA-N	367.357	2.987	0	30	FFAC	
CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]21C	253497923	OACVNSOUPWYEBL-OVTDPVDRSA-N	364.526	2.927	0	30	FFAC	
Cc1cccc(NC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1	33867849	QUXWTOITFNRDKD-UHFFFAOYSA-N	353.451	2.997	0	30	FFAC	
O=Cc1ccccc1OCCOCCOCCOc1ccccc1C=O	36416993	MPDQQVZJTVSSQZ-UHFFFAOYSA-N	358.390	2.803	0	30	FFAC	biogenic
COC(=O)C(=Cc1ccc(-c2ccsc2C(=O)OC)o1)C(=O)OC	1039451	WFICYUYOODBHAW-UHFFFAOYSA-N	350.348	2.524	0	30	FFAC	
O=C(c1cccc(Br)c1)N1CCN(c2nccs2)CC1	20547433	SVBNHMBBYXGNQN-UHFFFAOYSA-N	352.257	2.868	0	30	FFAC	
CN(C)c1ccc(-n2nnnc2S[C@@H]2Cc3ccccc3C2=O)cc1	1028912	GINHACGNEGUGIX-MRXNPFEDSA-N	351.435	2.628	0	30	FFAC	
CC[C@@]1(c2ccccc2)C(=O)N(COC)C(=O)N(Cc2ccccc2)C1=O	33755172	BBSUQZIHNMFPSH-NRFANRHFSA-N	366.417	2.929	0	30	FFAC	
CCOC(=O)Cc1csc(N2C(=O)CC(c3ccccc3)CC2=O)n1	4333941	GQHKDOLRWNMGAX-UHFFFAOYSA-N	358.419	2.686	0	30	FFAC	
COC(=O)[C@@H](N[C@H](C(=O)NC(C)(C)C)c1cccnc1)c1ccccc1	96330811	CIHIZUBOHCHYOL-IRXDYDNUSA-N	355.438	2.541	0	30	FFAC	
Cc1cc(Cl)ccc1OCC(=O)NN=C1C(=O)N(C)c2ccccc21	263629113	WSIHHSZXXYYFJA-UHFFFAOYSA-N	357.797	2.524	0	30	FFAC	
O=S(=O)(NC1Cc2ccccc2C1)c1ccc(Br)s1	1040243	ZDRRFYGOPJTFIZ-UHFFFAOYSA-N	358.282	2.956	0	30	FFAC	
Cc1nc(N2CCSCC2)ncc1S(=O)(=O)c1ccc(Cl)cc1	1037481	ZRJNWYJOCDRXPQ-UHFFFAOYSA-N	369.899	2.824	0	30	FFAC	
O=C(N[C@H]1CCSC1)c1ccccc1NS(=O)(=O)c1ccccc1	1024077	NZELCDBYPPBNGH-ZDUSSCGKSA-N	362.476	2.723	0	30	FFAC	
Cc1ccc(S(=O)(=O)n2ccc3c2CC[C@H](Br)C3=O)cc1	39346979	KRJSZGVJTPPYHY-ZDUSSCGKSA-N	368.252	2.926	0	30	FFAC	
COc1ccc(NC(=O)c2scc(S(=O)(=O)C(C)C)c2N)cc1	1034691	YXNURDHFKYKAOB-UHFFFAOYSA-N	354.453	2.773	0	30	FFAC	
CC(=O)c1ccccc1OC[C@H](O)CN1CCC(O)(c2ccccc2)CC1	1998748	SCAHBNXOKPAADX-LJQANCHMSA-N	369.461	2.613	0	30	FFAC	
CC(=O)Oc1cc(O)c2c(c1)O[C@@H](c1ccccc1)[C@@H](OC(C)=O)C2=O	1307291639	JHHPBJCBJRYFGP-OALUTQOASA-N	356.330	2.566	0	30	FFAC	biogenic
C[C@]12CC[C@H]3[C@@H](C[C@H](O)[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO	196173002	XWVOZMWRTHPMOW-STXMOTMYSA-N	350.499	2.538	0	30	FFAC	
Cc1onc(-c2ccccc2)c1CNS(=O)(=O)c1cccc2nonc12	1025113	NXJIIPLZFORPKL-UHFFFAOYSA-N	370.390	2.665	0	30	FFAC	
Cc1ccc(S(=O)(=O)n2c(C(=O)O)cc3c(Cl)ccnc32)cc1	67171992	KQJCSUWFZJWZRI-UHFFFAOYSA-N	350.783	2.933	0	30	FFAC	
Cc1cc(-c2c(C(=O)N3CCOCC3)c(C)nn2-c2ccccc2)no1	1031880	JCFFBJYSHVCXDB-UHFFFAOYSA-N	352.394	2.617	0	30	FFAC	
CCCc1cnc(N2CCCN(C(=S)Nc3cccnc3)CC2)nc1	1048347	HTEJNVKXYIEMAW-UHFFFAOYSA-N	356.499	2.733	0	30	FFAC	
O=C(Cc1ccc(O)cc1)NCCNC(=S)Nc1ccc(Cl)cc1	3131854	OUNRPPJOCWVAJL-UHFFFAOYSA-N	363.870	2.691	0	30	FFAC	
CC(C)N(C(C)C)S(=O)(=O)C[C@]12CC[C@H](C[C@]13OCC(=O)O3)C2(C)C	299754694	HTYQAYBLRGLWTG-FHLIZLRMSA-N	373.515	2.531	0	30	FFAC	
Cc1ccc([S@@](C)(=O)=NS(=O)(=O)c2cccc3nsnc23)cc1	13466357	RZQJGGZXESITAQ-JOCHJYFZSA-N	367.477	2.845	0	30	FFAC	
COc1ccccc1N1CCN(CCCCNC(=O)c2ccco2)CC1	4364593	ALMXZLFXWNSAEM-UHFFFAOYSA-N	357.454	2.620	0	30	FFAC	
O[C@H](CN1CCCN(c2nc(-c3ccccc3)ns2)CC1)C(F)(F)F	1025868	YTAHIIKPOHDFFC-CYBMUJFWSA-N	372.416	2.640	0	30	FFAC	
COc1ccc(OC[C@H](O)CNC(=O)Nc2ccc(F)cc2F)cc1	1032835	CJGGFOKLSRPUEG-GFCCVEGCSA-N	352.337	2.535	0	30	FFAC	
CCc1c(C)nc(SCC(=O)NCCc2c[nH]c3ccccc23)[nH]c1=O	4861663	NUCWONWXFJTAQQ-UHFFFAOYSA-N	370.478	2.573	0	30	FFAC	
COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(=O)C(C)(C)C(=O)C[C@H]1C	32273366	PWLHVTJCMHHDOD-NTCNTBNZSA-N	366.797	2.875	0	30	FFAC	
CCN(CC)C(=O)CSc1nc2ccccc2n1CC(=O)N1CCCC1	4859126	LTFGFBBCUFTTPH-UHFFFAOYSA-N	374.510	2.619	0	30	FFAC	
O=C(OCc1ccccc1)N1C[C@@H]2CN(c3ccccc3)C[C@@]2(C(=O)O)C1	503840037	FWUIPMYKPZLCBM-LAUBAEHRSA-N	366.417	2.846	0	30	FFAC	
O=C1c2ccccc2N[C@H](c2ccccc2)N1CCCN1CCOCC1	19835126	UNZPCPMABZGFOA-FQEVSTJZSA-N	351.450	2.975	0	30	FFAC	
O=S(=O)(NC[C@@H]1COc2ccccc2O1)c1cccc(C(F)(F)F)c1	1039211	YZJAICBCZIMNNL-GFCCVEGCSA-N	373.352	2.824	0	30	FFAC	
C[C@H](c1ccccc1)n1c(SCC(=O)Nc2ccccc2)n[nH]c1=O	15923284	LSVRZEWNVPZONL-CYBMUJFWSA-N	354.435	2.912	0	30	FFAC	
CC(C)[Si](c1ncc(B(O)OC(C)(C)C(C)(C)O)o1)(C(C)C)C(C)C	2265362156	SYUOBGDYWJVMNS-UHFFFAOYSA-N	369.387	2.814	0	30	FFAC	
C[C@@H](/C=C/[C@@H](C)C(C)(C)O)[C@]1(O)CC[C@@H]2C3=CC(=O)O[C@@]3(O)CC[C@]21C	263589997	VTJBUEPNESMAHX-ZCKBOMJRSA-N	364.482	2.699	0	30	FFAC	
CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)N1C(=O)Nc1ccc(Cl)cc1	1040069	PWXCRPAPFMHYMS-ZIAGYGMSSA-N	368.817	2.831	0	30	FFAC	
O=C1CCC(=O)N1CNc1ccc(Br)cc1OC(F)(F)F	1036044	JDNGIYGBIGFJBB-UHFFFAOYSA-N	367.121	2.866	0	30	FFAC	
CC(=O)Oc1cc(O)c2c(c1)O[C@@H](c1ccccc1)[C@H](OC(C)=O)C2=O	1307291641	JHHPBJCBJRYFGP-RBUKOAKNSA-N	356.330	2.566	0	30	FFAC	biogenic
CCOC(=O)c1ccc(OS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	3131823	FSOYRVVHIUKGBR-UHFFFAOYSA-N	363.391	2.589	0	30	FFAC	
CCOC(=O)[C@@H]1CC[C@H](C(=O)OCC)N1C(=O)Nc1ccc(Cl)cc1	13466505	PWXCRPAPFMHYMS-OKILXGFUSA-N	368.817	2.831	0	30	FFAC	
CC[C@]1(c2ccccc2)C(=O)N(COC)C(=O)N(Cc2ccccc2)C1=O	33755173	BBSUQZIHNMFPSH-OAQYLSRUSA-N	366.417	2.929	0	30	FFAC	
O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2ccccc2)CC1	20443848	JYAJYOQYMZSBBM-UHFFFAOYSA-N	356.900	2.908	0	30	FFAC	
CCN1CCN(c2ncc(Br)cc2C(=O)OC(C)(C)C)CC1	725328004	FLVHNLRYXIYUAR-UHFFFAOYSA-N	370.291	2.941	0	30	FFAC	
Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1	1043866	LEECGZRWMLMCOM-UHFFFAOYSA-N	362.451	2.883	0	30	FFAC	
O=C(CNC(=O)CSc1nc2ccccc2s1)NCc1ccccc1	4343588	DLOUSNGUGZKNEG-UHFFFAOYSA-N	371.487	2.821	0	30	FFAC	
COC(=O)c1ccc(CNC2CCC(NC(=O)OC(C)(C)C)CC2)[nH]1	378916928	WOGULYLMOSOPAK-UHFFFAOYSA-N	351.447	2.727	0	30	FFAC	
COc1cccc(CNS(=O)(=O)C=Cc2ccc(OC)c(OC)c2)c1	2265271946	NXCBDMQTKVUBQM-UHFFFAOYSA-N	363.435	2.803	0	30	FFAC	
COc1ccc(Br)c2c1CCN(C(=O)C(F)(F)F)CC2	306618081	RWDJQAFMTVJEHQ-UHFFFAOYSA-N	352.150	2.947	0	30	FFAC	
COc1c(N2C[C@H]3NCCC[C@@H]3C2)c(F)cc2c(=O)ccn(C3CC3)c12	210781231	OULQTEYVKYNDBD-MLGOLLRUSA-N	357.429	2.672	0	30	FFAC	
CCOC(=O)C1CCN(C(=O)c2cnn(-c3ccc(OC)cc3)c2C)CC1	1033283	CKDLGIQMXARSON-UHFFFAOYSA-N	371.437	2.605	0	30	FFAC	
CC(C)C[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1	225009471	ZCLDGTLOGGRLSD-WOJBJXKFSA-N	368.477	2.831	0	30	FFAC	
Cc1noc(C)c1-c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1	1035012	BBWSWFNXCDZMQE-UHFFFAOYSA-N	353.787	2.969	0	30	FFAC	
Cc1nc2c(c(N3CCC(C(=O)NCCc4ccccc4)CC3)n1)CCC2	1368905	LDKPMEKQODSFLC-UHFFFAOYSA-N	364.493	2.849	0	30	FFAC	
COC(=O)c1sc(OC)cc1OS(=O)(=O)c1ccc(Cl)cc1	4324109	JWUAYXJSDSFFGN-UHFFFAOYSA-N	362.812	2.964	0	30	FFAC	
C[S@@](=O)(=NS(=O)(=O)c1cccc2nonc12)c1ccc(Cl)cc1	13466372	DEFQWRVNJPZCTG-QFIPXVFZSA-N	371.827	2.722	0	30	FFAC	
O=C(NCCCNC(=O)c1c(F)cccc1F)c1c(F)cccc1F	3129536	URORYVZKJSDYEE-UHFFFAOYSA-N	354.303	2.793	0	30	FFAC	
Cc1ccc(S(=O)(=O)n2ccc3c2CC[C@@H](Br)C3=O)cc1	39346980	KRJSZGVJTPPYHY-CYBMUJFWSA-N	368.252	2.926	0	30	FFAC	
Cc1cc(S(=O)(=O)NCc2nn(-c3ccccc3)nc2C)c(C)s1	1034910	UIFRVDKLMVCHQL-UHFFFAOYSA-N	362.480	2.733	0	30	FFAC	
Cn1nc(C(F)(F)F)c(-c2ccccc2)c1N1C(=O)CSCC1=O	1043725	WFKPPOQCZUNVMP-UHFFFAOYSA-N	355.341	2.712	0	30	FFAC	
CC(C)C[C@H](C)OC(=O)C[C@@H](C(=O)O[C@H](C)CC(C)C)S(=O)(=O)O	100049273	CLJDUFMUISGSEC-MJBXVCDLSA-N	366.476	2.589	0	30	FFAC	
CCCNC[C@H](O)COc1cc(O)ccc1C(=O)CCc1ccccc1	22061109	LPJQQUPCLBDYRW-SFHVURJKSA-N	357.450	2.947	0	30	FFAC	in-vitro
COc1ccnc(N2CCC(NCc3ccc(C(F)(F)F)nc3)CC2)n1	24887604	PEZLCOUZVUQHPW-UHFFFAOYSA-N	367.375	2.658	0	30	FFAC	
S=C(NNC(=S)N[C@@H]1C[C@H]2C=C[C@H]1C2)Nc1ccccc1Cl	100242769	VFDHUCREADMVIA-OUJBWJOFSA-N	352.916	2.970	0	30	FFAC	
Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCCc1ccc([C@@H](C)O)s1	225689320	BMUHUVSXLSAMRV-CYBMUJFWSA-N	371.528	2.717	0	30	FFAC	
Cc1c(S(=O)(=O)N[C@@H]2CCCCNC2=O)sc2ccc(Cl)cc12	1034458	VOQDODFQQGWFRO-GFCCVEGCSA-N	372.899	2.810	0	30	FFAC	
CCOC(=O)[C@](NC(C)=O)(Nc1nc2ccccc2s1)C(F)(F)F	3138606	ZDOQDSDMFVXPCV-ZDUSSCGKSA-N	361.345	2.666	0	30	FFAC	
O[C@@H](CN1CCCN(c2nc(-c3ccccc3)ns2)CC1)C(F)(F)F	4389255	YTAHIIKPOHDFFC-ZDUSSCGKSA-N	372.416	2.640	0	30	FFAC	
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@H]3C[C@@H](O)[C@@]2(O)C1	2265351534	DUHMDQJMDPPEHC-NRRSYBJCSA-N	364.482	2.616	0	30	FFAC	
O=S(=O)(Cc1ccc(Cl)cc1)C[C@H](O)COc1ccc(F)cc1	1042368	XGEYAOQIKFYHMT-OAHLLOKOSA-N	358.818	2.834	0	30	FFAC	
CCOC(=O)[C@](NC(=O)c1ccco1)(Nc1cc(C)ccn1)C(F)(F)F	20432351	FNWINSMZIKBSOF-OAHLLOKOSA-N	371.315	2.647	0	30	FFAC	
O[C@H](CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1	19834661	UJCVOFIEOFZKCC-MRXNPFEDSA-N	351.372	2.956	0	30	FFAC	
CC(=O)Nc1cccc(-n2nnc(SCC(=O)c3ccccc3)n2)c1	1030081	OGHWSGXOYACDFA-UHFFFAOYSA-N	353.407	2.596	0	30	FFAC	
O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=S)N1CCOCC1	1040898	GURCHXDCCBYNHJ-UHFFFAOYSA-N	352.765	2.957	0	30	FFAC	
O=S(=O)(c1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)s1	1038392	HBIYPMGLUWALBK-UHFFFAOYSA-N	371.505	2.756	0	30	FFAC	
CN(C)c1ccc(-n2nnnc2S[C@H]2Cc3ccccc3C2=O)cc1	1028910	GINHACGNEGUGIX-INIZCTEOSA-N	351.435	2.628	0	30	FFAC	
CC(C)(O)C(C)(C)OB(O)c1ccc(C(F)(F)F)cc1C(F)(F)F	200322152	WKERXLKJYXBPIX-UHFFFAOYSA-N	358.087	2.978	0	30	FFAC	
CC(C)(C)OC(=O)N1C(=O)[C@@]2(CCNC2)c2cc(Br)ccc21	2265362221	KCNRMTYGHUBKIE-MRXNPFEDSA-N	367.243	2.962	0	30	FFAC	
O=C(C[C@H]1NCCN(Cc2ccccc2)C1=O)Nc1ccc(Cl)cc1	4323682	HQDFIGREQWXMGT-QGZVFWFLSA-N	357.841	2.669	0	30	FFAC	
COc1cc2c(cc1OC)C(c1ccc3c(c1)OCO3)=C1C(=O)OC[C@H]1C2	13405936	TYNZRPOBMSNIAX-CYBMUJFWSA-N	366.369	2.964	0	30	FFAC	in-vitro
Cc1cc(=O)oc2cc(NS(=O)(=O)c3ccc4c(c3)CCO4)ccc12	1033388	ILFLCAMGHNUMTG-UHFFFAOYSA-N	357.387	2.837	0	30	FFAC	
O=C(CSc1nnc(O)n1-c1ccccc1)c1ccc2c(c1)OCCO2	1033867	JOBVWFYUZLLJSJ-UHFFFAOYSA-N	369.402	2.719	0	30	FFAC	
COC(=O)[C@@H](c1ccccc1Cl)N1CC[C@H](S)/C(=C/C(=O)O)C1	60199550	CWUDNVCEAAXNQA-XMTZHVTGSA-N	355.843	2.569	0	30	FFAC	in-vitro
CSc1sc(C(=O)N(C)C)c2c1S(=O)(=O)N(C)c1ccccc1-2	1038173	FQAMXRLXFDDMGI-UHFFFAOYSA-N	368.505	2.977	0	30	FFAC	
COC(=O)[C@]1(C(F)(F)F)N=C(c2ccccc2)OC(N2CCCCC2)=N1	3103556	SHGHONFEXKPEDC-INIZCTEOSA-N	369.343	2.737	0	30	FFAC	
CO[C@@H]([C@@H]1CCCN1)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1	135716556	UXJXLBUATFRXDK-LAVFITLUSA-N	373.522	2.946	0	30	FFAC	
O=C(N[C@@H]1CCSC1)c1ccccc1NS(=O)(=O)c1ccccc1	1024080	NZELCDBYPPBNGH-CYBMUJFWSA-N	362.476	2.723	0	30	FFAC	
COc1ccc(COC[C@H](O)CS(=O)(=O)c2ccc(Cl)cc2)cc1	1042342	DDSFCLUYYROOFA-HNNXBMFYSA-N	370.854	2.700	0	30	FFAC	
Cc1onc(-c2ccccc2)c1CN1C(=O)c2ccccc2S1(=O)=O	1034378	XNBCVRWUXRDRER-UHFFFAOYSA-N	354.387	2.995	0	30	FFAC	
CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC	96023668	UHOKSUGCIDKRQZ-UHEFJODHSA-N	356.466	2.895	0	30	FFAC	
CC(C)C[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1	225009382	ZCLDGTLOGGRLSD-UXHICEINSA-N	368.477	2.831	0	30	FFAC	
O=C(N[C@H]1C[C@@H](C(=O)O)C[C@H]1O)OCC1c2ccccc2-c2ccccc21	950757302	RFEIXJVYVWUFFW-ZUSMLRIVSA-N	367.401	2.749	0	30	FFAC	
CN1CCN(c2ncc(Br)cc2C(=O)OC(C)(C)C)CC1	725328089	WZRYQPOYAAPKBQ-UHFFFAOYSA-N	356.264	2.551	0	30	FFAC	
O[C@@H](CNCCNc1ccc(C(F)(F)F)cn1)COc1ccccc1	4299476	XSKWCPPGOGQYLW-AWEZNQCLSA-N	355.360	2.542	0	30	FFAC	
O=C(C=Cc1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1	2265241355	SLZJAUOYDRKVTP-UHFFFAOYSA-N	354.381	2.916	0	30	FFAC	
Clc1nccn2nc(Br)c(I)c12	2265385315	HPLQXNZWIYHHLQ-UHFFFAOYSA-N	358.364	2.750	0	30	FFAC	
C=C[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC	257453445	JGKCGXVOATXMRM-TWILYEHCSA-N	354.450	2.671	0	30	FFAC	
C[C@H]1CN(c2ncc(C(=O)OCC3CC3)c(C(F)(F)F)n2)C[C@H](C)O1	1027004	CDNLFASMAOMSBB-UWVGGRQHSA-N	359.348	2.676	0	30	FFAC	
CC(=O)c1ccccc1OC[C@@H](O)CN1CCC(O)(c2ccccc2)CC1	1998749	SCAHBNXOKPAADX-IBGZPJMESA-N	369.461	2.613	0	30	FFAC	
CCC(=O)N1CCN(c2ncnc3c(-c4ccc(F)cc4)nsc23)CC1	1370683	SAKVMHFRJYPAPZ-UHFFFAOYSA-N	371.441	2.951	0	30	FFAC	
CN(C)c1ccc(-n2nnnc2SCC(=O)c2ccc(F)cc2)cc1	1028915	RZLLMOBFKJYGPX-UHFFFAOYSA-N	357.414	2.842	0	30	FFAC	
O=C(c1ccccc1)N1CCCN(c2nccc(C(F)(F)F)n2)CC1	1032607	MEPSJVXQHVAHDX-UHFFFAOYSA-N	350.344	2.848	0	30	FFAC	
CN1CCN(c2ccc(NC(=O)c3cccc4nsnc34)cc2)CC1	12341013	NRTMLWKVPIACCE-UHFFFAOYSA-N	353.451	2.695	0	30	FFAC	
COC(=O)c1cc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)oc1C	1028461	YMTPXZMGOFDKES-UHFFFAOYSA-N	362.363	2.830	0	30	FFAC	
O=C(NCC1CC1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1F	1042616	HEXBDMBQXISLNJ-UHFFFAOYSA-N	366.389	2.905	0	30	FFAC	
O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCN(CC=Cc2ccccc2)CC1	2265272033	JQBIIYXKEFVGST-MOPGFXCFSA-N	356.466	2.735	0	30	FFAC	
O=S(=O)(Cc1ccc(Cl)cc1)C[C@@H](O)COc1ccc(F)cc1	1042369	XGEYAOQIKFYHMT-HNNXBMFYSA-N	358.818	2.834	0	30	FFAC	
COc1ccc(C(C)(C)NC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1	71606217	DPCVZFSENRMFKS-GOSISDBHSA-N	368.433	2.801	0	30	FFAC	investigational
C[C@@H](/C=C/[C@@H](C)C(C)(C)O)[C@]1(O)CC[C@@H]2C3=CC(=O)O[C@@]3(O)CC[C@@]21C	263589995	VTJBUEPNESMAHX-IIMGGFILSA-N	364.482	2.699	0	30	FFAC	
CCOCCCNC(=O)CSc1nnc2c(n1)[nH]c1ccc(CC)cc12	6830213	RJAYRZDXUGIXCA-UHFFFAOYSA-N	373.482	2.703	0	30	FFAC	
CS(=O)(=O)c1ccc(C2=C(c3ccc(F)c(F)c3)C(=O)OC2)cc1	6019591	INRQTVDUZFESAO-UHFFFAOYSA-N	350.342	2.836	0	30	FFAC	
S=C(NNC(=S)N[C@H]1C[C@H]2C=C[C@H]1C2)Nc1ccccc1Cl	100242771	VFDHUCREADMVIA-KWBADKCTSA-N	352.916	2.970	0	30	FFAC	
CN(C)C=CC(=O)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccccc2)c1	98023367	DIJPXGOFUIRCEZ-UHFFFAOYSA-N	374.418	2.827	0	30	FFAC	
COc1ccnc(C[S@](=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1	13451980	KDLPLFBIOHDYKX-XMMPIXPASA-N	353.350	2.876	0	30	FFAC	
O=C(O)[C@@H](NS(=O)(=O)c1cccc(Br)c1)c1ccccc1	20362752	IYTROVWEWOADKW-ZDUSSCGKSA-N	370.224	2.553	0	30	FFAC	
Cc1ccc([S@](C)(=O)=NS(=O)(=O)c2cccc3nsnc23)cc1	100216442	RZQJGGZXESITAQ-QFIPXVFZSA-N	367.477	2.845	0	30	FFAC	
CC(C)(C)OC(=O)[C@@H](O)N1CCC[C@H]1CCC(=O)OCc1ccccc1	2265369658	ZOIHYVAMDKFXCS-FUHWJXTLSA-N	363.454	2.635	0	30	FFAC	
CC/C=C/C[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O	5977459	SAKGBZWJAIABSY-CIUFLECFSA-N	352.471	2.819	0	30	FFAC	
CCOC(=O)C(F)(F)[C@@H](OC(=O)c1ccccc1)[C@H]1COC(C)(C)O1	65739753	OMWGKDXWCKGRHY-OLZOCXBDSA-N	358.337	2.562	0	30	FFAC	in-vitro
O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	1044241	FKNPWTWQNQQYMR-UHFFFAOYSA-N	370.902	2.753	0	30	FFAC	
Cn1nc(-c2ccc(S(=O)(=O)n3ccnc3)s2)cc1C(F)(F)F	1038109	JGJWYIYLFBGIKS-UHFFFAOYSA-N	362.358	2.601	0	30	FFAC	
O=C(O)[C@H]1CCCC[C@@H]1C(=O)N1CCN(CC=Cc2ccccc2)CC1	4199794	JQBIIYXKEFVGST-OALUTQOASA-N	356.466	2.735	0	30	FFAC	
C[C@@H]1OCC2(CCN(C(=O)OC(C)(C)C)CC2)[C@H]1N[S@](=O)C(C)(C)C	1565504954	ZHHCNYQSLINMTK-KXTXEXGHSA-N	374.547	2.843	0	30	FFAC	
O=C(NCCS(=O)(=O)Cc1ccc(F)cc1)c1c(F)cccc1Cl	1046726	YYGBDVYPUMUECN-UHFFFAOYSA-N	373.808	2.963	0	30	FFAC	
CCOC(=O)[C@@](NC(=O)c1ccco1)(Nc1cc(C)ccn1)C(F)(F)F	20432349	FNWINSMZIKBSOF-HNNXBMFYSA-N	371.315	2.647	0	30	FFAC	
CC(C)(O)C(C)(C)OB(O)c1c(OCc2ccccc2)ccc(F)c1F	604936274	XPXBVBHMJNYYIB-UHFFFAOYSA-N	364.197	2.797	0	30	FFAC	
O[C@@H](CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1	19834659	UJCVOFIEOFZKCC-INIZCTEOSA-N	351.372	2.956	0	30	FFAC	
CCCCOc1ccc(C(=O)OCCOCCN(CC)CC)cc1N	4215003	CXYOBRKOFHQONJ-UHFFFAOYSA-N	352.475	2.963	0	30	FFAC	in-man
Cc1ccc(C(=O)ON=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	4053405	GRLXBOLSGWTWCM-UHFFFAOYSA-N	369.377	2.931	0	30	FFAC	
CSc1nc(NS(=O)(=O)c2cc(Cl)sc2Cl)nn1C	1023943	UDIMNUCBVLPEDD-UHFFFAOYSA-N	359.285	2.706	0	30	FFAC	
O=S(=O)(c1cccs1)N1CCCN(CCc2ccccc2)CC1	1029842	WSFAYAYNISRZGL-UHFFFAOYSA-N	350.509	2.687	0	30	FFAC	
O=C(c1c(F)cccc1F)N1CCN(C(=O)c2c(F)cccc2F)CC1	1048593	TXQKKKORYGTEKR-UHFFFAOYSA-N	366.314	2.841	0	30	FFAC	
O=C1CC(c2ccccc2)CC(=O)N1c1ccc(N2CCOCC2)cc1	4333261	RPAPHARUZUORTM-UHFFFAOYSA-N	350.418	2.960	0	30	FFAC	
CCn1c(SCC(=O)NCc2ccc(OC)cc2)nnc1-c1ccco1	1368472	SARPRIXNDZVENK-UHFFFAOYSA-N	372.450	2.975	0	30	FFAC	
O=C(O)[C@@H]1C[C@@H](O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21	35529445	CJGSLUBWMLBOFZ-DJJJIMSYSA-N	367.401	2.845	0	30	FFAC	
O=S(=O)(Oc1ccccc1N1CCCCC1)c1cccc2nonc12	4307666	GJDLXAAMULWUCG-UHFFFAOYSA-N	359.407	2.981	0	30	FFAC	
Cc1nn(CC(=O)NCCSCc2ccco2)c(C)c1Br	4364901	SGIOLAWGLIAEDY-UHFFFAOYSA-N	372.288	2.905	0	30	FFAC	
O=c1c2[nH]cnc2n(-c2ccc(Cl)cc2)c(=O)n1Cc1ccccc1	8553693	KBARQWOELANORH-UHFFFAOYSA-N	352.781	2.577	0	30	FFAC	
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3C[C@@H](O)[C@@]2(O)C1	2265351345	DUHMDQJMDPPEHC-RCGJQGOCSA-N	364.482	2.616	0	30	FFAC	
FC(F)(F)c1ccc(N2CCN(Cn3nnc4ccccc43)CC2)nc1	4324392	COJJAMPOZVXNGJ-UHFFFAOYSA-N	362.359	2.625	0	30	FFAC	
NC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)/C=C\C(=O)O	33382178	BABSHXLTCZFKHW-WAYWQWQTSA-N	350.783	2.747	0	30	FFAC	
COC(=O)[C@@H](C=NOCc1ccc(Cl)cc1)NC(=O)c1ccccc1	254294136	TWKSEHXIEQAQOH-MRXNPFEDSA-N	360.797	2.814	0	30	FFAC	
O=C1CCN(Cc2ccc(C(F)(F)F)nc2)CCN1Cc1ccccn1	19615409	WBDZZOWVZOVMPH-UHFFFAOYSA-N	364.371	2.730	0	30	FFAC	
NCCc1c[nH]c2ccc(O)c(-c3c(O)ccc4[nH]cc(CCN)c34)c12	6091794	KEVPJLBSMTXTHH-UHFFFAOYSA-N	350.422	2.730	0	30	FFAC	
O=S(=O)(c1cccc2cccnc12)N1C=CC(C(F)(F)F)=NCC1	1028502	VXIKIBBPRQMVDE-UHFFFAOYSA-N	355.341	2.756	0	30	FFAC	
COC(=O)C1=C(NNc2ncc(Cl)cc2C(F)(F)F)CSC1	1039910	SWNZBPGTBQUOLG-UHFFFAOYSA-N	353.753	2.844	0	30	FFAC	
COC(=O)c1c(OCc2ccccc2)c(=O)ccn1NC(=O)OC(C)(C)C	199935504	BZFFGGJUFFRTON-UHFFFAOYSA-N	374.393	2.693	0	30	FFAC	
CC(C)S(=O)(=O)c1ccc([C@@H]2NCCc3cc4c(cc32)OCO4)cc1	31771293	SRKFWJCAFAQJMD-IBGZPJMESA-N	359.447	2.833	0	30	FFAC	
CC(C)C[C@H](C)OC(=O)C[C@H](C(=O)O[C@@H](C)CC(C)C)S(=O)(=O)O	5759986	CLJDUFMUISGSEC-MELADBBJSA-N	366.476	2.589	0	30	FFAC	
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3ncon3)cc2)c1	1037987	BQGUPZVPCJLYET-UHFFFAOYSA-N	361.379	2.555	0	30	FFAC	
COc1ccc(S(=O)(=O)Nc2cccc(-c3nnco3)c2)cc1OC	1035086	VHZZTERVKAXKCG-UHFFFAOYSA-N	361.379	2.555	0	30	FFAC	
CC(C)(C)OC(=O)N1C(=O)[C@]2(CCNC2)c2cc(Br)ccc21	2265362220	KCNRMTYGHUBKIE-INIZCTEOSA-N	367.243	2.962	0	30	FFAC	
CC(C)(O)C(C)(C)OB(O)c1ccc(NC(=O)Oc2ccccc2)cc1	504216687	WVIGWAIBWIYDKN-UHFFFAOYSA-N	357.215	2.551	0	30	FFAC	
CC(C)(C)OC(=O)NC1CCN(c2cnc(Br)cn2)CC1	809349203	TVPCSCNSHLOZCR-UHFFFAOYSA-N	357.252	2.733	0	30	FFAC	
Cc1nn(-c2ccccc2)nc1CNC(=O)c1cc2c(C)nn(C)c2s1	4389408	NQFCNYYCUSTQGK-UHFFFAOYSA-N	366.450	2.762	0	30	FFAC	
O=C(CCn1nnc(-c2cccc(Br)c2)n1)N1CCCCC1	608223	PLZMRGRLCWCLFW-UHFFFAOYSA-N	364.247	2.505	0	30	FFAC	in-man
O=C(NC1CCN(c2nccc(C(F)(F)F)n2)CC1)c1cccs1	1048389	JPTUNIDONDVLOX-UHFFFAOYSA-N	356.373	2.956	0	30	FFAC	
COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)[C@H](C)CC(=O)C[C@H]1OC	8585065	IIUZTXTZRGLYTI-KGBXAXFASA-N	354.786	2.685	0	30	FFAC	biogenic
COc1ccc(C(C)(C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1	71606215	DPCVZFSENRMFKS-SFHVURJKSA-N	368.433	2.801	0	30	FFAC	investigational
O=C(O)/C=C\C(=O)Nc1ccc(OC(F)(F)F)cc1Br	33365105	VUCSNNWLBWXPPJ-ARJAWSKDSA-N	354.078	2.927	0	30	FFAC	
CCOC(=O)c1cc(C(=O)OC)c(C)nc1NCc1ccc2c(c1)OCO2	19834493	JUHSQGWMLBBXTK-UHFFFAOYSA-N	372.377	2.694	0	30	FFAC	
Cc1cc(NC(=O)NN2CCOCC2)nn1-c1c(Cl)cccc1Cl	1047218	WRBVEMXDNBGNME-UHFFFAOYSA-N	370.240	2.856	0	30	FFAC	
O=C(O)CN[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1	725240407	CLYNQYDAXKGCGP-AWEZNQCLSA-N	366.417	2.684	0	30	FFAC	
O=S(=O)(NCCNC/C=C/c1ccccc1)c1cccc2cnccc12	22054988	DHYYPPHQZMSVKX-VMPITWQZSA-N	367.474	2.816	0	30	FFAC	in-vitro
Cc1c(C(=O)NCc2ccc3c(c2)OCO3)cnn1-c1ccc(F)cc1	1033442	BYVPWZLZPOKXKG-UHFFFAOYSA-N	353.353	2.979	0	30	FFAC	
Cc1ccc(S(=O)(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1	1037274	FSYPBIBMUUSLKQ-UHFFFAOYSA-N	358.868	2.896	0	30	FFAC	
O=c1cc(CSc2n[nH]c(=O)n2-c2ccccc2)c2ccc(O)cc2o1	4394884	CZBQZSOJQDALKS-UHFFFAOYSA-N	367.386	2.665	0	30	FFAC	
Cc1nc(-c2nnn(C)c2CO[C@H]2CCCCO2)ccc1Br	2090611701	SMBRPBZLTNVLJP-AWEZNQCLSA-N	367.247	2.991	0	30	FFAC	
CNC(=O)c1ccccc1[S@@](=O)c1cccc2cccc(C(=O)NC)c12	4300986	ARVAEPHKAMNKRR-SANMLTNESA-N	366.442	2.726	0	30	FFAC	
CCN1C(=O)[C@H](O)[C@@](c2ccc(OC)cc2)(N(C)C)Sc2ccccc21	238791246	IIBSPZMHIAWSPC-ICSRJNTNSA-N	372.490	2.929	0	30	FFAC	
Cc1ccc([C@H]2Nc3ccccc3C(=O)N2CCN2CCNC2=O)cc1	1034681	HAFVOVYRZUIVNG-SFHVURJKSA-N	350.422	2.587	0	30	FFAC	
CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-n1cccc1	598590	NMARPFMJVCXSAV-UHFFFAOYSA-N	353.426	2.820	0	30	FFAC	in-man
O=S(=O)(CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1	1037352	OJULDXLTKIIHNB-UHFFFAOYSA-N	362.831	2.727	0	30	FFAC	
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3C[C@@H](O)[C@@]2(O)C1	2265351531	DUHMDQJMDPPEHC-ADADYXJASA-N	364.482	2.616	0	30	FFAC	
O=S(=O)(NC[C@H](O)c1ccccc1)c1ccc(-c2ccccn2)s1	1033252	ZXSGNRLGJHGJSM-HNNXBMFYSA-N	360.460	2.822	0	30	FFAC	
COc1cc2c(cc1OC)[C@H](CO)[C@H]1c3cc4c(cc3CCN1C2)OCO4	1562611	LITCEGNIEIZOID-HRAATJIYSA-N	369.417	2.621	0	30	FFAC	
Cc1nn(-c2ccccc2)nc1C(=O)Nc1nnc(C(F)(F)F)s1	1037868	YJYDKYFKIOQLQM-UHFFFAOYSA-N	354.317	2.698	0	30	FFAC	
COc1ccc([C@@H]2CN(C(=O)CCc3c(C)noc3Cl)C[C@H]2N)cc1	877237052	NUHRVLBADFEAKE-JKSUJKDBSA-N	363.845	2.531	0	30	FFAC	
C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO	96328878	RHQQHZQUAMFINJ-QZWWJOACSA-N	350.499	2.538	0	30	FFAC	
CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc2ncn3c(=O)c(C(=O)O)cnc3c2c1	1483249	YWYURKUOLLVUCU-GHMZBOCLSA-N	368.393	2.562	0	30	FFAC	
C[S@@](=O)(=NS(=O)(=O)c1cccc2nsnc12)c1ccccc1	100216448	FFSCAJIYXHFOFT-NRFANRHFSA-N	353.450	2.537	0	30	FFAC	
CC(C)C[C@H](C)OC(=O)C[C@H](C(=O)O[C@H](C)CC(C)C)S(=O)(=O)O	100049278	CLJDUFMUISGSEC-BFHYXJOUSA-N	366.476	2.589	0	30	FFAC	
COCCOc1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1	4322840	WIDGFNGXBGCYCK-UHFFFAOYSA-N	361.394	2.990	0	30	FFAC	
N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)Nc1nccs1	143363036	PVHOFKGGCRXPBM-AWEZNQCLSA-N	362.455	2.506	0	30	FFAC	
CCOC(=O)CSC1=NC(=O)C(=Cc2ccc(OC(C)=O)cc2)S1	4106415	WZXDTGAMXTVSDJ-UHFFFAOYSA-N	365.432	2.879	0	30	FFAC	
C[C@@]1(F)C(=O)O[C@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	148405426	OUKYMZJNLWKCSO-QINHECLXSA-N	372.348	2.723	0	30	FFAC	
CCc1ccc(S(=O)(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)cc1	1032460	IPHCRSLCIRTQIE-UHFFFAOYSA-N	368.480	2.730	0	30	FFAC	
O=C1c2ccccc2N[C@@H](c2ccccc2)N1CCCN1CCOCC1	19835128	UNZPCPMABZGFOA-HXUWFJFHSA-N	351.450	2.975	0	30	FFAC	
O=C(N[C@@H]1CCCCNC1=O)c1cccnc1Oc1ccc(Cl)cc1	1034472	BSEXIUBTXJEHRH-OAHLLOKOSA-N	359.813	2.926	0	30	FFAC	
O[C@H](CSc1nccc(-c2ccc3c(c2)OCCO3)n1)C(F)(F)F	1034420	UHEWXJJFCCKUGX-CYBMUJFWSA-N	358.341	2.930	0	30	FFAC	
CCCOC(=O)N[C@](Nc1nccs1)(C(=O)OCC)C(F)(F)F	4375827	IWDXMTIYHYXRBA-LLVKDONJSA-N	355.338	2.513	0	30	FFAC	
COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccc(F)c(F)c1)CC2	1034512	LEJAKAQWESTMRF-UHFFFAOYSA-N	369.389	2.729	0	30	FFAC	
CCOC(=O)C(=CNNc1ccnc2cc(Cl)ccc12)C(=O)OCC	3137925	IOQXXFGMQHKTIC-UHFFFAOYSA-N	363.801	2.815	0	30	FFAC	
CC(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	146556584	BAMCBXJGFIFOHB-GOSISDBHSA-N	353.374	2.957	0	30	FFAC	
O=C(OCc1ccccc1)N1C[C@H]2CN(c3ccccc3)C[C@@]2(C(=O)O)C1	503840036	FWUIPMYKPZLCBM-DYESRHJHSA-N	366.417	2.846	0	30	FFAC	
CCN(CC)C(=O)c1ccc(I)c(OCOC)c1	15809936	BNFRJOCLPZSUIJ-UHFFFAOYSA-N	363.195	2.756	0	30	FFAC	
CC(C)(C)OC(=O)N1[C@H]2COC[C@H]1CN(C(=O)OCc1ccccc1)C2	953089906	JYDMKCLYLUGIJQ-HZPDHXFCSA-N	362.426	2.643	0	30	FFAC	
O=C(N[C@H](COC(=O)OCc1ccccc1)C(=O)O)OCc1ccccc1	2145475	KUTZESLKEBHGMZ-MRXNPFEDSA-N	373.361	2.719	0	30	FFAC	
CCOC(=O)c1c(NC(=O)CSCC(=O)O)sc2c1CCCC2	4324131	AAMRZMICYKYEQJ-UHFFFAOYSA-N	357.453	2.560	0	30	FFAC	
Nc1ccc2cc(S(=O)(=O)Oc3ccc(C(=O)O)cc3)cc(O)c2c1	35635757	HRFJKSZVWXPAHS-UHFFFAOYSA-N	359.359	2.594	0	30	FFAC	
COC(=O)[C@@]1(C(F)(F)F)N=C(c2ccccc2)OC(N2CCCCC2)=N1	3103555	SHGHONFEXKPEDC-MRXNPFEDSA-N	369.343	2.737	0	30	FFAC	
CCOC(=O)/C=C(\C)C[C@H]1OC[C@@H](CCO)[C@H]2OC3(CCCCC3)O[C@@H]12	223744879	OHMPDEIJLFPZCQ-USDTXFSSSA-N	368.470	2.728	0	30	FFAC	
CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C	4369733	OACVNSOUPWYEBL-LCAVPYEXSA-N	364.526	2.927	0	30	FFAC	
COc1cccc(NC(=S)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c1	102933077	GWYFHFIGTZDVDE-COPLHBTASA-N	350.513	2.549	0	30	FFAC	
O=C(c1ccc(F)cc1)C1CCN([C@@H]2Cc3cccc(O)c3C[C@H]2O)CC1	473083744	PKIBYLFLXJDSBD-TZIWHRDSSA-N	369.436	2.954	0	30	FFAC	
CN(C)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	226811330	MDSKSOAVAVTJHJ-LJQANCHMSA-N	368.433	2.930	0	30	FFAC	
Cn1c(SCCS(=O)(=O)c2ccc(F)cc2)nnc1C(F)(F)F	1039837	JIASZUZDBGPWTA-UHFFFAOYSA-N	369.365	2.539	0	30	FFAC	
COc1ccc2nc([S@](=O)Cc3ncc(C)c(OC)c3C)n(C)c2c1	32303059	WNUVTRNLJLQRDR-VWLOTQADSA-N	359.451	2.910	0	30	FFAC	in-vitro
Cc1onc(-c2ccccc2)c1NC(=O)Nc1cccc(S(N)(=O)=O)c1	4325172	WGTYLSCSJAJIMU-UHFFFAOYSA-N	372.406	2.941	0	30	FFAC	
COc1ccc2oc(=Nc3ccccc3NC(C)=O)c(C(N)=O)cc2c1	725401394	XTZQUBSPAIVCFI-UHFFFAOYSA-N	351.362	2.731	0	30	FFAC	
COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)[C@@H](C)CC(=O)C[C@H]1OC	8585067	IIUZTXTZRGLYTI-SZNSPNRDSA-N	354.786	2.685	0	30	FFAC	biogenic
CC(C)CCCOC(=O)C[C@@H](C(=O)OCCCC(C)C)S(=O)(=O)O	5758515	SLJNCDYIHFDEJR-AWEZNQCLSA-N	366.476	2.592	0	30	FFAC	
COc1ccc(CN[C@@H](Cc2ncncc2C(=O)O)SC)cc1Cl	299754745	NNEFVYGTYDMCDF-OAHLLOKOSA-N	367.858	2.858	0	30	FFAC	
C[C@H](C(=O)N[C@@H]1c2ccccc2C[C@@H]1c1ccccc1)N1CCOCC1	145867263	ISFFDUCXGWBMNQ-MAODMQOUSA-N	350.462	2.905	0	30	FFAC	
O=S(=O)(CCO)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1	5840393	WCXDRTSNSUAZLB-UHFFFAOYSA-N	364.854	2.720	0	30	FFAC	
COC(=O)C(=CNc1ccc(OC)cc1)NC(=O)c1ccc(OC)cc1	2265276180	IMZGBSLOUCVGGZ-UHFFFAOYSA-N	356.378	2.560	0	30	FFAC	
Cc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3ccccc3)CC2)cc1	1037015	TUGIJMZOXPZWOQ-UHFFFAOYSA-N	372.490	2.507	0	30	FFAC	
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN(C)C	13493833	MBTDIENWIYANIG-GDNBJRDFSA-N	370.428	2.555	0	30	FFAC	in-vitro
C[C@]1(O)C[C@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)C1	723264481	UHRROSZUFYOBHX-OYRHEFFESA-N	367.401	2.893	0	30	FFAC	
FC(F)(F)c1ccnc(NCCNC(=S)NCCc2ccccc2)n1	4299456	ZNTDJQPHELBBPN-UHFFFAOYSA-N	369.416	2.614	0	30	FFAC	
O=C(CNC(=O)c1cc2ccccc2cc1O)CC(=O)Nc1ccccc1	33609322	VVTRPYGBBSGKPZ-UHFFFAOYSA-N	362.385	2.873	0	30	FFAC	
Cc1nnsc1-c1noc(CS(=O)(=O)c2ccc(Cl)cc2)n1	1048680	YMQUWHJYPDAUMF-UHFFFAOYSA-N	356.816	2.524	0	30	FFAC	
O=C1c2ccccc2C(=O)N1CN1CCC(O)(c2ccc(Cl)cc2)CC1	20421525	NMEXQYKPGMZELX-UHFFFAOYSA-N	370.836	2.877	0	30	FFAC	
Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCN2CCNC2=O)cc1	4334736	HAFVOVYRZUIVNG-GOSISDBHSA-N	350.422	2.587	0	30	FFAC	
COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)n(C)c2c1	32303058	WNUVTRNLJLQRDR-RUZDIDTESA-N	359.451	2.910	0	30	FFAC	in-vitro
CC(C)(O)C(C)(C)OB(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	238790134	IKTHHEYMJGANNS-UHFFFAOYSA-N	358.087	2.978	0	30	FFAC	
C[C@@H]1CC(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(F)cc1F	1034400	QNRGNILAJSTWNK-SNVBAGLBSA-N	352.362	2.891	0	30	FFAC	
CN(C)c1cccc2c(S(=O)(=O)NCCc3ccccn3)cccc12	1034815	YWZZGOIAICZFRC-UHFFFAOYSA-N	355.463	2.822	0	30	FFAC	
CO[C@H]1C[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O1	40434458	FKSXOZQTBMQUJG-RCCFBDPRSA-N	356.374	2.830	0	30	FFAC	in-vitro
O[C@H](CNCCNc1ccc(C(F)(F)F)cn1)COc1ccccc1	4299475	XSKWCPPGOGQYLW-CQSZACIVSA-N	355.360	2.542	0	30	FFAC	
CC(=O)Nc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1	19924657	RTUKBQISLQNNNR-UHFFFAOYSA-N	365.359	2.780	0	30	FFAC	
C[C@@H](C(=O)Nn1c(S)nc2cc(F)ccc2c1=O)c1ccc(F)cc1	950757543	RQRVPZPRYSETSI-SECBINFHSA-N	361.373	2.837	0	30	FFAC	
CCc1nnc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)s1	1047742	ZTJPSGLGESZROP-UHFFFAOYSA-N	353.347	2.800	0	30	FFAC	
COc1ccccc1CCNC(=S)N1CCN(c2ccccc2)CC1	244324018	XKBWIEFOPKXUNI-UHFFFAOYSA-N	355.507	2.934	0	30	FFAC	
CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O	1626261	IPWPEUJWMOPJDG-RBUKOAKNSA-N	356.374	2.989	0	30	FFAC	biogenic,in-vitro
COC(=O)C[C@@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C	196425415	SKEAGFNHNCRHTL-AWEZNQCLSA-N	351.399	2.576	0	30	FFAC	
CC(C)[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1ccccc1	2569662	GBKDRVIAPFAMCN-UXHICEINSA-N	366.461	2.667	0	30	FFAC	
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@H]3C[C@@H](O)[C@@]2(O)C1	2265351344	DUHMDQJMDPPEHC-LAMJPENXSA-N	364.482	2.616	0	30	FFAC	
CC[C@H](C(=O)N1CCCC[C@@H]1C(=O)O)c1cc(OC)c(OC)c(OC)c1	115227456	QSLGUZZUFDIKSY-UONOGXRCSA-N	365.426	2.672	0	30	FFAC	
CC(C)NS(=O)(=O)c1ccc(Cl)cc1I	1040967	XJHOYRAZRUQLNW-UHFFFAOYSA-N	359.616	2.631	0	30	FFAC	
CCOC(=O)[C@@H](C)Oc1ccc(/C=C2\SC(=N)NC2=O)cc1OCC	1772715443	BNRFMRVKKHKWEE-AHEVQNHNSA-N	364.423	2.554	0	30	FFAC	
COC(=O)c1cc2c(cc1F)SC[C@H](NC(=O)OC(C)(C)C)C(=O)N2	2265385727	KCQIOLZNQPRIAE-NSHDSACASA-N	370.402	2.550	0	30	FFAC	
Cc1ccc(S(=O)(=O)N/N=C2/CCCN(C(=O)OC(C)(C)C)C2)cc1	114989288	IPVMQZVQRGKRMM-JXAWBTAJSA-N	367.471	2.660	0	30	FFAC	
O=C(NC[C@@H]1CC(C(=O)O)=NO1)OCC1c2ccccc2-c2ccccc21	725240635	SMHNHEDDRWECDA-LBPRGKRZSA-N	366.373	2.755	0	30	FFAC	
Cc1ccc(C(=O)Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1C	59858044	IYIBNPKZDWNTHA-UHFFFAOYSA-N	372.490	2.786	0	30	FFAC	
COC(=O)[C@H](Cc1ccc(OCCN=[N+]=[N-])cc1)NC(=O)OC(C)(C)C	220017148	WPKORRIGARAFMJ-AWEZNQCLSA-N	364.402	2.985	0	30	FFAC	
Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(S(N)(=O)=O)c1	4325126	IMRUJRRXTYFGPA-UHFFFAOYSA-N	357.391	2.550	0	30	FFAC	
CC(C)(C)c1ncc(S(=O)(=O)c2ccc(C(F)(F)F)cn2)c(N)n1	1038482	CUJIMWADTQLJHE-UHFFFAOYSA-N	360.361	2.603	0	30	FFAC	
Cc1nn(-c2ccccc2)nc1CNC(=O)c1ccc2nsnc2c1	1034885	RVHBDUNEYWAAJZ-UHFFFAOYSA-N	350.407	2.510	0	30	FFAC	
O=C(OCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccccc1	1046885	MQSZXHBWXFCIPV-UHFFFAOYSA-N	359.325	2.731	0	30	FFAC	
O=S(=O)(O)c1cc(OS(=O)(=O)c2ccccc2)c2ccccc2c1	34064648	FZPJHVKPROLAQF-UHFFFAOYSA-N	364.400	2.854	0	30	FFAC	
O[C@]1(CNCc2ccc(Cl)[nH]2)CCc2cc(-c3ccccc3)nn2C1	1772717772	YPOGMRHJNIBGSW-IBGZPJMESA-N	356.857	2.999	0	30	FFAC	
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@H]3C[C@@H](O)[C@@]2(O)C1	2265351532	DUHMDQJMDPPEHC-KUYSDZBKSA-N	364.482	2.616	0	30	FFAC	
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@H]3C[C@@H](O)[C@@]2(O)C1	2265351343	DUHMDQJMDPPEHC-IOENSQTLSA-N	364.482	2.616	0	30	FFAC	
CC(C)S(=O)(=O)c1ncc(Br)cc1C(=O)OC(C)(C)C	725328092	XPBXRAMNIOYLGP-UHFFFAOYSA-N	364.261	2.982	0	30	FFAC	
O=C1NC(=O)[C@H]2[C@@H]1[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl	18272382	VTOLQEMXZUTSMA-BPOCMEKLSA-N	369.846	2.721	0	30	FFAC	
COc1cc2oc(-c3ccc4c(c3)OCO4)c(OC)c(=O)c2c(O)c1OC	6403735	QRTSJZTUEHLBPF-UHFFFAOYSA-N	372.329	2.920	0	30	FFAC	biogenic
COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc3c(c2)OCO3)ccc1O	14760230	NFAAULYTGYCSKM-LSDHHAIUSA-N	356.374	2.704	0	30	FFAC	biogenic
CN1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Br)CC1	44857433	BZTMMQCZDMQIJD-UHFFFAOYSA-N	356.651	2.971	0	30	FFAC	
C[C@@H]1OC[C@H](N2C(=O)c3ccccc3C2=O)C[C@H]1O[C@H]1CCC[C@@H](C)O1	575417391	DEQVFTYGKFLFCN-FOOXYVKASA-N	359.422	2.760	0	30	FFAC	in-vitro
O=C(ON=C1CCS(=O)(=O)c2sccc21)c1ccc(Cl)nc1	254878149	ZVFVASDFZFQQDT-UHFFFAOYSA-N	356.812	2.535	0	30	FFAC	
CCOC(CCNS(=O)(=O)c1cccc(Br)c1)OCC	15042288	HOSVCQOVPFNLFQ-UHFFFAOYSA-N	366.277	2.517	0	30	FFAC	
O=S(=O)(C[C@H](O)COc1ccc(Br)cc1)c1ccccc1	1042336	SLVNRCGYBHBPKF-CYBMUJFWSA-N	371.252	2.663	0	30	FFAC	
O=S(=O)(NNc1c(Cl)cncc1Cl)c1ccc2c(c1)OCC2	1032176	MPIMNWLAKKBKGD-UHFFFAOYSA-N	360.222	2.629	0	30	FFAC	
Nc1nc(N2CCCCC2)ncc1S(=O)(=O)c1ccc(Cl)cc1	1037364	PENXIDSUKDBVOF-UHFFFAOYSA-N	352.847	2.535	0	30	FFAC	
CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Cc1ccccc1	4214996	VCPBYLUDWGYFIQ-UHFFFAOYSA-N	362.451	2.835	0	30	FFAC	in-man
C[C@]1(F)C(=O)O[C@@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	140320065	OUKYMZJNLWKCSO-RZQQEMMASA-N	372.348	2.723	0	30	FFAC	
C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1cccnc1	1035602	JHKXKLXPJIBRSQ-JTQLQIEISA-N	352.221	2.823	0	30	FFAC	
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@H]3CC(=O)[C@@]2(O)C1	2265351588	NMHSNRRBGTVQFD-ASYWQZNHSA-N	362.466	2.824	0	30	FFAC	
CCC(C)(C)C(=O)C(=O)N1CCC[C@@H]1C(=O)OCCCc1cccnc1	2001838	OQAHHWOPVDDWHD-MRXNPFEDSA-N	360.454	2.554	0	30	FFAC	in-vitro
CC(C)C[C@H](C)OC(=O)C[C@@H](C(=O)O[C@@H](C)CC(C)C)S(=O)(=O)O	5759984	CLJDUFMUISGSEC-IHRRRGAJSA-N	366.476	2.589	0	30	FFAC	
CCCOC(=O)N[C@@](Nc1nccs1)(C(=O)OCC)C(F)(F)F	4375824	IWDXMTIYHYXRBA-NSHDSACASA-N	355.338	2.513	0	30	FFAC	
Cc1cc(Br)ccc1NC(=S)NCCCN1CCOCC1	20223368	XCSZRMXKRFYHDB-UHFFFAOYSA-N	372.332	2.766	0	30	FFAC	
COC(=O)c1cc(F)c(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1N	1536220063	DTODWRPKCSHLTL-NSHDSACASA-N	367.421	2.688	0	30	FFAC	
O=C(N[C@H]1CCCCNC1=O)c1cccnc1Oc1ccc(Cl)cc1	1034471	BSEXIUBTXJEHRH-HNNXBMFYSA-N	359.813	2.926	0	30	FFAC	
Cc1nnsc1C(=O)n1nccc1-c1cnn(-c2ccccc2)c1C	1047177	ACWLBAKNENMBHY-UHFFFAOYSA-N	350.407	2.893	0	30	FFAC	
CCOC(=O)c1c(NNC(=S)Nc2ccccc2Cl)n[nH]c1C	36050852	ZOSSAQJJKSZVFJ-UHFFFAOYSA-N	353.835	2.862	0	30	FFAC	
CCN1C(=O)[C@@H](O)[C@@](c2ccc(OC)cc2)(N(C)C)Sc2ccccc21	238791248	IIBSPZMHIAWSPC-QUCCMNQESA-N	372.490	2.929	0	30	FFAC	
C[C@]1(F)[C@@H](O)O[C@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	71973480	KIGQNEVACHEDCP-YAJHFMINSA-N	374.364	2.514	0	30	FFAC	in-vitro
O=C(NCCS(=O)(=O)Cc1ccc(F)cc1)c1ccc(Cl)cc1	1046724	GJUCEDZPDMLOEQ-UHFFFAOYSA-N	355.818	2.824	0	30	FFAC	
CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C)cc1	1034676	UTZACFRSYOOJCW-UHFFFAOYSA-N	370.434	2.846	0	30	FFAC	
CCOc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cnc2c1	98209514	XZLFLNWUBLMFQW-UHFFFAOYSA-N	353.426	2.933	0	30	FFAC	in-vitro
Cn1nc(C(F)(F)F)c(-c2ccccc2)c1NC(=O)CSCC(=O)O	1043724	NFAAEPQDCCCWNH-UHFFFAOYSA-N	373.356	2.862	0	30	FFAC	
COc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C)cc1OC	1034675	RWIUOADIIBGUNZ-UHFFFAOYSA-N	373.434	2.905	0	30	FFAC	
O[C@H](CNCCNc1nccc(C(F)(F)F)n1)CSc1ccccc1	4299445	ZMHPJEUQVNFNNB-GFCCVEGCSA-N	372.416	2.650	0	30	FFAC	
C[C@@H]1CN(c2ncc(C(=O)OCC3CC3)c(C(F)(F)F)n2)C[C@@H](C)O1	1027003	CDNLFASMAOMSBB-NXEZZACHSA-N	359.348	2.676	0	30	FFAC	
Cc1nnsc1C(=O)N1C[C@@H]2CCCC[C@@H]2C[C@@H]1C(=O)NC(C)(C)C	4394966	IGKNKHPDKLGSNI-HZSPNIEDSA-N	364.515	2.782	0	30	FFAC	
O=S(=O)(NC1Cc2ccccc2C1)c1ccc(-c2csnn2)cc1	4334260	JGYJJAXAIVZOFF-UHFFFAOYSA-N	357.460	2.651	0	30	FFAC	
COc1c(Cl)cc(Cl)c(O)c1C(=O)NC[C@@H]1CCCN1CCF	26492496	SUMSSRZHRHBCGI-VIFPVBQESA-N	365.232	2.871	0	30	FFAC	
CCOC(=O)[C@@H]1CC[C@@H](C(=O)OCC)N1C(=O)Nc1ccc(Cl)cc1	1040068	PWXCRPAPFMHYMS-KBPBESRZSA-N	368.817	2.831	0	30	FFAC	
Cc1ccc(S(=O)(=O)n2nc(C)c(Sc3nccn3C)c2C)cc1	1047972	NYQCDUSMAFJKRV-UHFFFAOYSA-N	362.480	2.930	0	30	FFAC	
COc1ccc(CCNC[C@@H](O)Cn2ccc3ccccc32)cc1OC	3138749	KEPPTXNYKXAWSR-GOSISDBHSA-N	354.450	2.852	0	30	FFAC	
CC(C)S(=O)(=O)c1csc(C(=O)OCC(=O)c2ccccc2)c1N	1037604	IAULKNMITKWXCZ-UHFFFAOYSA-N	367.448	2.552	0	30	FFAC	
C[C@]1(F)C(=O)O[C@H](COC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	140320386	OUKYMZJNLWKCSO-GQIGUUNPSA-N	372.348	2.723	0	30	FFAC	
CC(C)(C)OC(=O)NCCCNC(=S)Nc1ccc2c(c1)OCCO2	4299630	GPDODLFIZDSPNT-UHFFFAOYSA-N	367.471	2.659	0	30	FFAC	
Cc1nn2c(c1I)CN(C(=O)OC(C)(C)C)CC2	725378629	YJVHPCIZIYHKDB-UHFFFAOYSA-N	363.199	2.547	0	30	FFAC	
CO[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1CO	205636832	WNNLDKLQBIGTII-CGXNFDGLSA-N	358.434	2.768	0	30	FFAC	
Cc1oc(C(C)(C)C)cc1-c1cc(N)n(-c2ccc(S(N)(=O)=O)cc2)n1	1047088	BRBLTFAAUFJYOF-UHFFFAOYSA-N	374.466	2.968	0	30	FFAC	
CC(C)OC(=O)[C@H](C)OC(=O)SC(=O)O[C@@H](C)C(=O)OC(C)C	585139101	IMBPENWDXWICKX-UWVGGRQHSA-N	350.389	2.673	0	30	FFAC	
C[C@H]1CN(c2ncc(C(=O)OCC3CC3)c(C(F)(F)F)n2)C[C@@H](C)O1	13464975	CDNLFASMAOMSBB-AOOOYVTPSA-N	359.348	2.676	0	30	FFAC	
O=C(O)CSCC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C(F)(F)F	4389895	ZKIBSSZBNRZUDP-OAHLLOKOSA-N	372.368	2.974	0	30	FFAC	
COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(NC(C)=O)cc1	1027092	BUESFBAONSVXBM-UHFFFAOYSA-N	368.436	2.602	0	30	FFAC	
CC(C)(C)OC(=O)N1CCCN(c2cnc(Br)cn2)CC1	380910836	LNNHZSHPNLPPMX-UHFFFAOYSA-N	357.252	2.686	0	30	FFAC	
Cc1oc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(F)cc1	1030195	KPDLVRPBKWMNKH-UHFFFAOYSA-N	352.387	2.764	0	30	FFAC	
CCOC(=O)[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)OC(C)(C)C	210910160	XAWZMEMDSCFQDQ-IRXDYDNUSA-N	362.470	2.965	0	30	FFAC	
CN1C(c2ccccc2)=CS/C1=C1\SC(=S)N(CC(=O)O)C1=O	33650293	NGCHMQBCOUHPJH-OWBHPGMISA-N	364.473	2.778	0	30	FFAC	
CCOC(=O)c1nn2c(c1Br)CN(C(=O)OC(C)(C)C)CC2	380927287	DAAXIXUFHZXYGF-UHFFFAOYSA-N	374.235	2.573	0	30	FFAC	
CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]21C	253497917	OACVNSOUPWYEBL-AYCIUIGDSA-N	364.526	2.927	0	30	FFAC	
CCCc1cnc(N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)nc1	1048311	IYVJMAMRVFGEJU-UHFFFAOYSA-N	374.510	2.639	0	30	FFAC	
O=C(CCl)c1c[nH]c(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	254480676	DDWTUHATLIIVDQ-UHFFFAOYSA-N	351.706	2.699	0	30	FFAC	
CNC(=O)c1ccccc1[S@](=O)c1cccc2cccc(C(=O)NC)c12	1039012	ARVAEPHKAMNKRR-AREMUKBSSA-N	366.442	2.726	0	30	FFAC	
CSc1cccc(-n2c(=O)n(Cc3ccccc3)c(=O)c3[nH]cnc32)c1	8568513	LGAWBIHZPOQDOR-UHFFFAOYSA-N	364.430	2.646	0	30	FFAC	
COC(=O)c1cc(=O)n2c(-c3cc(Cl)cc(Cl)c3)nnc2s1	1032064	VBLOTYXWLWQINQ-UHFFFAOYSA-N	356.190	2.911	0	30	FFAC	
COC(=O)[C@@H](N[C@@H](C(=O)NC(C)(C)C)c1cccnc1)c1ccccc1	96330810	CIHIZUBOHCHYOL-SJORKVTESA-N	355.438	2.541	0	30	FFAC	
NC(=O)c1sccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1	1026190	HFNCHMHRJZKVAL-UHFFFAOYSA-N	351.236	2.955	0	30	FFAC	
O=S(=O)(c1ccc(NC(=S)N2CCCC2)cc1)N1CCCCC1	1045500	BSWVGCBUIHBZJT-UHFFFAOYSA-N	353.513	2.654	0	30	FFAC	
CSc1ccccc1Cn1c(=O)cc(N)n(-c2ccccc2C)c1=O	1040129	LKEJKHCUSJVBPM-UHFFFAOYSA-N	353.447	2.660	0	30	FFAC	
Cc1ccc(S(=O)(=O)n2nc(C)c(Sc3ncccn3)c2C)cc1	1047971	KKXMQKFATVGCEJ-UHFFFAOYSA-N	360.464	2.987	0	30	FFAC	
CCOC(=O)c1cnc2c(S(=O)(=O)c3ccccc3)cccc2c1O	34626575	MULQVAGDFDCAJQ-UHFFFAOYSA-N	357.387	2.950	0	30	FFAC	
COc1ccc(OC)c(S(=O)(=O)NCc2c(F)cccc2Cl)c1	1048668	UTMUMBCCKZZGKH-UHFFFAOYSA-N	359.806	2.975	0	30	FFAC	
Cc1cc(S(=O)(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)c(C)o1	1034844	LJIIYQVNXGUKNZ-UHFFFAOYSA-N	372.487	2.822	0	30	FFAC	
CC(C)OC(=O)[C@H](C)OC(=O)SC(=O)O[C@H](C)C(=O)OC(C)C	585139099	IMBPENWDXWICKX-AOOOYVTPSA-N	350.389	2.673	0	30	FFAC	
O=C(O)CCC(=O)NCCNc1ncnc2scc(-c3ccccc3)c12	4299582	OPXLHVGRNKJWAA-UHFFFAOYSA-N	370.434	2.751	0	30	FFAC