smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cn2)s1	12367114	ZCOORMBLIXIVJA-AWEZNQCLSA-N	511.613	3.538	0	30	KHAC	
O=C1CC2(CCCC2)C(=O)N1c1ccc(S(=O)(=O)NCCNc2cccc(C(F)(F)F)n2)cc1Cl	95749401	HTUSSWWYQBWKAN-UHFFFAOYSA-N	530.956	3.968	0	30	KHAC	
Cc1ncsc1-c1ccc(CN2C[C@H](O)C[C@H]2C(=O)NC(=O)[C@@H](NC(=O)CCCCCCC(=O)O)C(C)(C)C)cc1	2265364136	GBGFVGFBOFNCDH-QSEAXJEQSA-N	586.755	3.653	0	30	KHAC	
O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12)c1ccc2nc(Cl)c(Cl)nc2c1	100476225	ZSNNYCHHXXHXFQ-UHFFFAOYSA-N	544.350	3.541	0	30	KHAC	
C/C(=C\c1csc(CN)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1	3993579	PFJFPBDHCFMQPN-RGJAOAFDSA-N	522.708	3.628	0	30	KHAC	
COC(=O)[C@@H](CO[P@@](=O)(O)OC[C@@H](COCc1ccccc1)OCc1ccccc1)NC(=O)OC(C)(C)C	100033073	RGPHKRSAWJCNEC-DHIUTWEWSA-N	553.545	3.989	0	30	KHAC	
CO[C@H]1/C=C\C=C(/C)C(=O)Nc2cc(O)cc(c2O)[C@H](OC)[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O	27208379	QCXSABHHRSWSID-OOJAHTAHSA-N	562.660	3.703	0	30	KHAC	
CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC[C@@]1(C)O[C@@H]41	255257886	PBKJAWKRZRAQQO-YTGDHQJGSA-N	658.829	3.630	0	30	KHAC	
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@H](CC(=O)NCCCN1CCN(C)CC1)c1nnc(C)n1-2	114766978	PKQXLRYFPSZKDU-JOCHJYFZSA-N	540.137	3.943	0	30	KHAC	
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)O)OC)N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	208071400	OCXHPHOVIMNVPQ-UTHKHBGESA-N	571.756	3.541	0	30	KHAC	
Cc1c(-c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12	575417475	FQGWKISUWBXXJZ-AFZRXKEVSA-N	646.737	3.896	0	30	KHAC	
CCOC(=O)c1cc(C)nc2c1c(=O)n(-c1ccccc1)c(=O)n2CCCN1CCN(c2ccccc2Cl)CC1	95890584	YVGOKISJIUOQGY-UHFFFAOYSA-N	562.070	3.898	0	30	KHAC	
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]3O)cc12	150660701	PAAXRVKIJQNQMY-PXAMCWLLSA-N	646.737	3.896	0	30	KHAC	
COc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)nc(C23CC4CC(CC(C4)C2)C3)n1	12368136	MISSYQVZHPVIOY-UHFFFAOYSA-N	511.526	3.877	0	30	KHAC	
COC1CCC(NC[C@H](C(=O)N2CCN(c3ncnc4c3[C@H](C)C[C@H]4O)CC2)c2ccc(Cl)c(F)c2)CC1	142380483	XYOUBZSWKDRAAH-NGKGKBKGSA-N	546.087	3.789	0	30	KHAC	
NC(=O)[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	150364147	LKNLUIQLOZNQFR-CMPUJJQDSA-N	623.614	3.773	0	30	KHAC	
Nc1c(/N=N/c2cc(Nc3nc(Cl)nc(Cl)n3)ccc2S(=O)(=O)O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12	78197416	OKXHWFKWZIKEPG-BYYHNAKLSA-N	666.459	3.519	0	30	KHAC	
CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H](COC(=O)c2ccccc2)[C@@H](F)[C@@H]1OC(=O)c1ccccc1	44962906	KGDKOKWJAUETMI-VVAPRYPQSA-N	521.541	3.854	0	30	KHAC	
CC(C)N(C[C@@H]1O[C@H](n2ccc3c(N)ncnc32)[C@@H](O)[C@H]1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	1531861541	VAVSYAHRMOHGMQ-APYQJGCGSA-N	561.731	3.928	0	30	KHAC	
CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@H](C(=O)OC)[C@H](O)[C@@]5(CC)C=CCN6CC[C@@]43[C@H]65)C2)C1	575627464	RZVMMARIDNVUCW-CUGPKSAISA-N	766.936	3.832	0	30	KHAC	in-vitro
CCN(CCCOc1ccc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)ncnc2c1)CCOP(=O)(O)O	100325286	IOLYJOTUELRWGV-UHFFFAOYSA-N	587.549	3.548	0	30	KHAC	
Cc1ncsc1-c1ccc(CN2C[C@H](O)C[C@@H]2C(=O)NC(=O)[C@@H](NC(=O)CCCCCCC(=O)O)C(C)(C)C)cc1	2265364133	GBGFVGFBOFNCDH-AZSVPQILSA-N	586.755	3.653	0	30	KHAC	
CC(C)(C)c1ccc(S(=O)(=O)Nc2nc(-c3ncccn3)nc(OCCO)c2Oc2ccccc2CO)cc1	108646748	ORSZXCZZGSBHIK-UHFFFAOYSA-N	551.625	3.688	0	30	KHAC	
CN[C@H](C(=O)O[C@H](c1ccccc1)[C@H](NC(=O)C(NC(=O)[C@H]([C@H](O)c1ccccc1)N(C)C)=C(C)C)C(=O)N/C=C/c1ccc(O)cc1)C(C)C	263589292	HXLYZPGZSZWTSW-HEMAWPEBSA-N	699.849	3.566	0	30	KHAC	
CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](COC(=O)c2ccccc2)[C@@H](F)[C@H]1OC(=O)c1ccccc1	575124405	KGDKOKWJAUETMI-FSJVOCHISA-N	521.541	3.854	0	30	KHAC	
CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3C[C@@H](OCCO)[C@@H]4OC(C)(C)O[C@@H]43)c2n1	214483520	WLEOHEIRUFTYCF-OGVABYFESA-N	562.643	3.812	0	30	KHAC	
CCC(=O)C[C@@H]1CNCCc2c([nH]c3ccccc23)[C@@](C(=O)OC)(c2cc3c(cc2OC)N(C=O)[C@H]2[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@@]4(CC)C=CCN5CC[C@]32[C@H]54)C1	575416948	GHCGXAFOOQYBDC-CNJCTKLTSA-N	810.945	3.630	0	30	KHAC	
CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1C(=O)O	100097418	NZGSEOLBDNPWIT-WHEOYJBGSA-N	521.511	3.759	0	30	KHAC	
CCN(CC)c1ccc2cc(C(=O)N3CCN(C(=O)C4=Cc5c(Br)cccc5S4(=O)=O)CC3)c(=O)oc2c1	1772820560	LEVMMUZFAXTJOJ-UHFFFAOYSA-N	600.491	3.515	0	30	KHAC	
O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	1029480	YFZGLWPFPIIMQS-UHFFFAOYSA-N	503.351	3.707	0	30	KHAC	
COC(=O)[C@H](Cc1ccccc1OC)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1	59650460	FPUNBFZNOBAEHZ-DQEYMECFSA-N	502.567	3.659	0	30	KHAC	
COc1ccc(COC(=O)[C@H](C(=O)N[C@@]2(OC)C(=O)N3C(C(=O)OC(c4ccccc4)c4ccccc4)=C(CSc4nnnn4C)CO[C@H]32)c2ccc(O)cc2)cc1	256003363	TYTWNEXLMSXPBY-KKWLUUMOSA-N	806.854	3.788	0	30	KHAC	
CCCC[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)CC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CN1CCOCC1	53256255	BLBQAONVMIHHMA-QQEJMDCYSA-N	687.944	3.617	0	30	KHAC	
COC(=O)[C@@H]1[C@@H](OC(=O)C2[C@H](c3ccccc3)C(C(=O)O[C@@H]3C[C@H]4CC[C@H]([C@@H]3C(=O)OC)N4C)[C@@H]2c2ccccc2)C[C@H]2CC[C@@H]1N2C	257390522	BUOSLGZEBFSUDD-OBNFNTHHSA-N	658.792	3.935	0	30	KHAC	
CN(C)[C@H](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cc(Br)c3c(N)ncnc32)[C@H](O)[C@@H]1O	575440208	BZZSSZXJIUGFCT-UUTKOORCSA-N	618.577	3.615	0	30	KHAC	
CC(C)[C@]12O[C@H](C[C@H](O)CC(=O)O)CCN1[C@](O)(c1ccc(F)cc1)[C@]1(c3ccccc3)O[C@]21C(=O)Nc1ccccc1	299872192	SKRXFJSNBQVBSO-MPKPYTIBSA-N	590.648	3.957	0	30	KHAC	in-vitro
O=C(CN1C(=O)C2(CCCC2)NC[C@@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21	103760981	AZAANWYREOQRFB-FYBSXPHGSA-N	557.601	3.773	0	30	KHAC	
CCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC(=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)O	100305994	GZLVZMUTEZRBOV-ZKMPZPQNSA-N	546.654	3.863	0	30	KHAC	
COC(=O)[C@@H]1[C@H](OC(=O)C2[C@H](c3ccccc3)C(C(=O)O[C@@H]3C[C@H]4CC[C@@H]([C@H]3C(=O)OC)N4C)[C@@H]2c2ccccc2)C[C@H]2CC[C@H]1N2C	257390524	BUOSLGZEBFSUDD-PWTTUUSOSA-N	658.792	3.935	0	30	KHAC	
O=P(O)(OCCOCCOCCOCCOCCOCc1ccccc1)OCCOCCOCCOCCOCCOCc1ccccc1	150387149	CXZCZDXBXGKRQH-UHFFFAOYSA-N	718.774	3.686	0	30	KHAC	
COC(=O)[C@@H]1[C@H](OC(=O)C2[C@@H](c3ccccc3)C(C(=O)O[C@H]3C[C@H]4CC[C@@H]([C@H]3C(=O)OC)N4C)[C@H]2c2ccccc2)C[C@H]2CC[C@H]1N2C	257390523	BUOSLGZEBFSUDD-OBRFECAKSA-N	658.792	3.935	0	30	KHAC	
CNC(=O)Nc1ccc2c(c1)CC[C@]21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(F)(F)F)C1=O	936069051	VRVJKILQRBSEAG-SHACYNPGSA-N	536.482	3.677	0	30	KHAC	
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN)cc1	148867453	OZSZELOMMMKWTM-MHZLTWQESA-N	508.626	3.960	0	30	KHAC	
O=S(=O)(c1ccc(N[C@H](C[C@H](c2ccccc2)S(=O)(=O)O)S(=O)(=O)O)cc1)c1ccc(N[C@H](C[C@H](c2ccccc2)S(=O)(=O)O)S(=O)(=O)O)cc1	212605001	HCCUQCPVNVAHMV-XAZDILKDSA-N	804.921	3.809	0	30	KHAC	
CC(=O)OC(C)(C)[C@H]1O[C@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@H]3O	263589601	NNFJPOSVDKIWPO-USIWENNYSA-N	662.861	3.692	0	30	KHAC	
CC1=NN(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)C(=O)[C@@H]1/N=N/c1cc(NC(=O)CCl)ccc1S(=O)(=O)O	111492238	FOQIQLBLNGVOLA-GSWFEHRJSA-N	598.830	3.539	0	30	KHAC	
O=C1Oc2cc(O)c3c(c2[C@]12c1c(O)cc(O)cc1O[C@@H]2c1ccc(O)cc1)O[C@@H](c1ccc(O)cc1)[C@H](O)C3	257533209	RNDNBGULZNCSNB-TXQUKWATSA-N	542.496	3.591	0	30	KHAC	biogenic
Cc1c(-c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]3O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12	575417485	FQGWKISUWBXXJZ-KUHJYSOOSA-N	646.737	3.896	0	30	KHAC	
Cc1c(-c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]3O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12	575417486	FQGWKISUWBXXJZ-PXAMCWLLSA-N	646.737	3.896	0	30	KHAC	
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCN)C(C)(C)C)cc1	1775962989	QLJZVMJBYNFUSG-CERRFVOPSA-N	585.815	3.917	0	30	KHAC	
CC[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C\C=C/C=C\C=C/C=C\[C@H](O)[C@H](C)[C@H](O)C[C@H](O)C[C@H](O)CCC[C@H](O)C[C@H]1O	263589402	JJDUHQRKYHRVNV-WODVUHSASA-N	564.760	3.517	0	30	KHAC	
CCCC(C)(COC(=O)N[C@H](O)C(Cl)(Cl)Cl)COC(=O)N[C@H](O)C(Cl)(Cl)Cl	31374528	OMCKLQRQFUWZOA-HTQZYQBOSA-N	513.029	3.622	0	30	KHAC	
CC(C)(C)[C@@H]1NC(=O)O[C@@H]2CCC[C@H]2OC/C=C\C(F)(F)c2nc3ccccc3nc2O[C@@H]2C[C@@H](C(=O)N[C@]3(C(=O)NS(=O)(=O)C4(C)CC4)C[C@H]3C(F)F)N(C2)C1=O	203683636	MLSQGNCUYAMAHD-ZSXAAYSXSA-N	838.878	3.857	0	30	KHAC	
CCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)O	238790974	GZLVZMUTEZRBOV-ICDZXHCJSA-N	546.654	3.863	0	30	KHAC	
CC(C)CCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1	141674657	JRVKYRBMIXSDPY-UHFFFAOYSA-N	602.806	3.949	0	30	KHAC	
CCCSc1nc(N[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H]4OC(C)(C)O[C@H]43)c2n1	256069156	WLEOHEIRUFTYCF-BGJLUCPFSA-N	562.643	3.812	0	30	KHAC	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1C(=O)O	100097415	NZGSEOLBDNPWIT-JMSHBIQUSA-N	521.511	3.759	0	30	KHAC	
CC(C)(C)OC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](Cc1ccccc1)C(N)=O	102648310	YSYINGULRGFPKE-SXOMAYOGSA-N	557.647	3.838	0	30	KHAC	
CC(=O)OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(OC(C)=O)cc3)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	116912202	SDZNDOYQCYOLJI-ZCCUTQAASA-N	591.009	3.654	0	30	KHAC	in-vitro
CCCSc1nc(N[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@H]4OC(C)(C)O[C@@H]43)c2n1	150294119	WLEOHEIRUFTYCF-IKTIZJKBSA-N	562.643	3.812	0	30	KHAC	
CNc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](COC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)O2)c(=O)[nH]1	101151034	DLOQLVGRZGQBRJ-OYUWMTPXSA-N	583.645	3.836	0	30	KHAC	
Cc1ccc(S(=O)(=O)N(CCCC(=O)O)C(=O)c2c3ccccc3[n+](CCCS(=O)(=O)O)c3ccccc23)cc1	59127262	VYTOBATYLKBDAR-UHFFFAOYSA-O	585.680	3.563	0	30	KHAC	
CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@H](C(=O)OC)[C@H](O)[C@@]5(CC)C=CCN6CC[C@]43[C@H]65)C2)C1	575627467	RZVMMARIDNVUCW-DPCNMUTNSA-N	766.936	3.832	0	30	KHAC	
COC(=O)[C@H](CO[P@@](=O)(O)OC[C@@H](COCc1ccccc1)OCc1ccccc1)NC(=O)OC(C)(C)C	100033071	RGPHKRSAWJCNEC-PKTZIBPZSA-N	553.545	3.989	0	30	KHAC	
CCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC(=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)O	100305996	GZLVZMUTEZRBOV-HVCNVCAESA-N	546.654	3.863	0	30	KHAC	
CCOC(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2cc(Br)c(Cl)s2)c1	1030651	QNBDIJUSIIMDQQ-UHFFFAOYSA-N	509.831	3.978	0	30	KHAC	
CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2ccc(N3C(=O)CC4(CCCC4)C3=O)c(Cl)c2)CC1	1048412	RBJCDDGVFHANOG-UHFFFAOYSA-N	526.055	3.795	0	30	KHAC	
CC(=O)N[C@@H](CSc1nc2c(O)nc(=N)[nH]c2n1Cc1ccc(F)cc1)C(=O)NCCCOCCOCCOCCCNC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12	1911936322	IYRHHSZRPVKBSQ-XIFFEERXSA-N	869.977	3.822	0	30	KHAC	
O=C(Nc1cccc2c(=O)cc(-c3nnn[nH]3)oc12)c1ccc2c(c1)C[C@@H](COCc1ccc(F)cc1)O2	13909591	LJJHEYJRUPPUTP-IBGZPJMESA-N	513.485	3.885	0	30	KHAC	
COc1ccc(C(OC[C@H]2O[C@@H](n3cc(/C=C/C(=O)NCCCCCCN)c(=O)[nH]c3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	150346312	LZRVIYIHUBJELH-JFYNCNQLSA-N	698.817	3.859	0	30	KHAC	
CCOc1c(N)c2c(c(OCC)c1OCC)[C@@H]([C@@H]1c3c(cc(OC)c(OC)c3OC)CCN1C)OC2=O	31477053	FPSZSEINEGCRIJ-UNMCSNQZSA-N	516.591	3.931	0	30	KHAC	
CC(C)N(C[C@@H]1O[C@H](n2ccc3c(N)ncnc32)[C@H](O)[C@H]1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	1531861544	VAVSYAHRMOHGMQ-SENPVQLFSA-N	561.731	3.928	0	30	KHAC	
CC[C@H](C)[C@H]([C@H](CC(=O)N1CCC[C@@H]1[C@H](OC)[C@H](C)C(=O)N[C@H](C)[C@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)C	504256914	WOWDZACBATWTAU-NADJLXSGSA-N	732.020	3.872	0	30	KHAC	
CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)[C@H]1N1C(=O)c2ccccc2C1=O	77302630	HYDHLSHOGOVBCQ-DMOAHHJKSA-N	501.535	3.722	0	30	KHAC	in-vitro
C/C(Br)=C/Cn1c(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C	2242135281	CCWFETOZZMWDOX-MTGKDYNDSA-N	653.582	3.989	0	30	KHAC	
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc2ccccc2c1	299803215	AWLJPELFPHVNDX-UIOOFZCWSA-N	546.672	3.867	0	30	KHAC	
O=S(=O)(c1ccc(N[C@H](C[C@H](c2ccccc2)S(=O)(=O)O)S(=O)(=O)O)cc1)c1ccc(N[C@@H](C[C@H](c2ccccc2)S(=O)(=O)O)S(=O)(=O)O)cc1	212605096	HCCUQCPVNVAHMV-CSBHBGLHSA-N	804.921	3.809	0	30	KHAC	
CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O	94313226	GIVZWLZTZAUPTQ-OZHMRLOWSA-N	806.770	3.508	0	30	KHAC	in-vitro
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O)cc12	575417983	PAAXRVKIJQNQMY-AFZRXKEVSA-N	646.737	3.896	0	30	KHAC	
CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@@H]1O	8214606	RKWPZPDLTYBKCL-RVZGXXANSA-N	544.685	3.668	0	30	KHAC	in-man
CC[C@H](C)[C@H]([C@H](CC(=O)N1CCC[C@@H]1[C@H](OC)[C@H](C)C(=O)N[C@H](C)[C@H](O)c1ccccc1)OC)N(C)C(=O)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C	504256915	WOWDZACBATWTAU-YPBVFLTLSA-N	732.020	3.872	0	30	KHAC	
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](OC(=O)CCC(=O)O)C[C@H]1C[C@H]3O	123480066	HCNXRYWFDFDKOR-LVLJDNOQSA-N	508.652	3.864	0	30	KHAC	
CC(C)(C)OC(=O)N1CC2(C1)OC[C@]1(C(=O)O)CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]21	1535645797	ZPWAFBIMCBPSAU-NEKDWFFYSA-N	520.582	3.958	0	30	KHAC	
Cc1ncsc1-c1ccc(CN2C[C@H](O)C[C@@H]2C(=O)NC(=O)[C@H](NC(=O)CCCCCCC(=O)O)C(C)(C)C)cc1	2265364135	GBGFVGFBOFNCDH-NOTUOJBMSA-N	586.755	3.653	0	30	KHAC	
CC(C)(C)OC(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	102648308	YSYINGULRGFPKE-RRPNLBNLSA-N	557.647	3.838	0	30	KHAC	
CC(=O)OC(C)(C)[C@H]1O[C@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@H]3O	263589600	NNFJPOSVDKIWPO-HKNDUCOXSA-N	662.861	3.692	0	30	KHAC	
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C1OCCO1	1774020843	BWJPPKPFGFGMFJ-HJOGWXRNSA-N	519.683	3.762	0	30	KHAC	
CCCn1c(=O)c(NC(=O)COc2cc(C)c(N)c(C)c2C)c(N)n(-c2cccc3ccccc23)c1=O	39125172	IGTSOIBYNDYKOH-UHFFFAOYSA-N	501.587	3.670	0	30	KHAC	
COc1ccc2nc(-c3ccc(OC[C@@H](O)CN(C)CCc4ccc(OC)c(OC)c4)cc3)n(C)c(=O)c2c1	33885720	BBXNSDWOXBABKJ-QFIPXVFZSA-N	533.625	3.541	0	30	KHAC	
COc1c2c(cc(Br)c1C(=O)N1O[C@@]3(Br)C(Br)=C[C@H]1[C@@H]1OC(C)(C)O[C@@H]13)OCO2	2265352097	QEHBWFZIOBINCE-XQSMYKGBSA-N	598.038	3.846	0	30	KHAC	
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(I)cc2I)cc1	8648782	MNCWWPZQEFULNP-UHFFFAOYSA-N	542.136	3.655	0	30	KHAC	
C[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cn2)s1	12367113	ZCOORMBLIXIVJA-CQSZACIVSA-N	511.613	3.538	0	30	KHAC	
CC[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C\C=C/C=C\C=C/C=C\[C@H](O)[C@H](C)[C@H](O)C[C@H](O)C[C@H](O)CCC[C@@H](O)C[C@H]1O	263589401	JJDUHQRKYHRVNV-UBTWJWBZSA-N	564.760	3.517	0	30	KHAC	
CN[C@H](C(=O)O[C@H](c1ccccc1)[C@H](NC(=O)C(NC(=O)[C@@H]([C@H](O)c1ccccc1)N(C)C)=C(C)C)C(=O)N/C=C/c1ccc(O)cc1)C(C)C	150357499	HXLYZPGZSZWTSW-PTKPCHTJSA-N	699.849	3.566	0	30	KHAC	
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1	1857792978	PKNFPFFOAWITLF-JAXLGGSGSA-N	530.691	3.636	0	30	KHAC	
COc1c2c(cc(Br)c1C(=O)N1O[C@@]3(Br)C(Br)=C[C@H]1[C@H]1OC(C)(C)O[C@H]13)OCO2	2265352095	QEHBWFZIOBINCE-GQEJXKQBSA-N	598.038	3.846	0	30	KHAC	
COc1ccc(COC(=O)[C@H](C(=O)N[C@]2(OC)C(=O)N3C(C(=O)OC(c4ccccc4)c4ccccc4)=C(CSc4nnnn4C)CO[C@@H]32)c2ccc(O)cc2)cc1	196514807	TYTWNEXLMSXPBY-UXYLJNPESA-N	806.854	3.788	0	30	KHAC	
C[C@@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1	220197927	WNEODWDFDXWOLU-HSZRJFAPSA-N	664.811	3.574	0	30	KHAC	
CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)O	616580983	NTUSIHMSJBVWSZ-QHCPKHFHSA-N	525.602	3.790	0	30	KHAC	
CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1	604970625	OBEIXXHHUOSBLA-UQUCNHJPSA-N	796.962	3.967	0	30	KHAC	in-vitro
CC(C)[C@]12O[C@H](C[C@H](O)CC(=O)O)CCN1[C@](O)(c1ccc(F)cc1)[C@]1(c3ccccc3)O[C@@]21C(=O)Nc1ccccc1	299872193	SKRXFJSNBQVBSO-WROLTKEDSA-N	590.648	3.957	0	30	KHAC	in-vitro
CCCC[Sn](CCCC)(CCCC)c1cccc(C(=O)NCC(=O)OCCN2C(=O)C=CC2=O)c1	195752751	BNEASIWYAZWSLE-UHFFFAOYSA-N	591.337	3.941	0	30	KHAC	
CCN1C[C@@]2(COC)CC[C@H](OC)[C@@]34[C@H]2[C@@H](OC)[C@@H]([C@@H]13)[C@]1(OC(C)=O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccc(OC)cc1	257479392	LYUPEIXJYAJCHL-QACUZDRZSA-N	627.775	3.600	0	30	KHAC	
COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](C(=O)Nc3ccccc3Cl)C2)cc(OC)c1OC	3935344	NRRYHQKEBUXUNQ-QFIPXVFZSA-N	628.078	3.997	0	30	KHAC	
O=C1C(=Cc2coc3ccccc3c2=O)NC(=S)N1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	2265279185	CEOILZSOJRTDGR-UHFFFAOYSA-N	549.962	3.698	0	30	KHAC	
O=C1C[C@@](/C=C/c2ccccc2)(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)N1C1CCCCC1	8637242	LMWILXSLIOFTBA-VFAHUECZSA-N	523.655	3.663	0	30	KHAC	
O=S(=O)(O)c1ccc2cc(OS(=O)(=O)c3ccccc3)c(OS(=O)(=O)c3ccccc3)cc2c1	100498684	GGEFIQORZZDEJZ-UHFFFAOYSA-N	520.562	3.622	0	30	KHAC	
O=C1Oc2cc(O)c3c(c2[C@]12c1c(O)cc(O)cc1O[C@@H]2c1ccc(O)cc1)O[C@H](c1ccc(O)cc1)[C@@H](O)C3	257533208	RNDNBGULZNCSNB-RSDVTXRYSA-N	542.496	3.591	0	30	KHAC	biogenic
COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@H]1OC(=O)C1C(c3ccccc3)C(C(=O)O[C@@H]3C[C@H]4CC[C@H]([C@@H]3C(=O)OC)N4C)C1c1ccccc1)N2C	257390525	BUOSLGZEBFSUDD-YZNYFSBYSA-N	658.792	3.935	0	30	KHAC	
COC1CCC(NC[C@H](C(=O)N2CCN(c3ncnc4c3[C@H](C)C[C@@H]4O)CC2)c2ccc(Cl)c(F)c2)CC1	213519737	XYOUBZSWKDRAAH-YRORRATGSA-N	546.087	3.789	0	30	KHAC	
c1csc(-c2ccn(O[BH-](On3ccc(-c4cccs4)n3)On3ccc(-c4cccs4)n3)n2)c1	263583780	AEEGLEVZPJTKPA-UHFFFAOYSA-N	507.411	3.865	0	30	KHAC	
CC(C)N(C[C@@H]1O[C@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	1531861543	VAVSYAHRMOHGMQ-OYXAKFCYSA-N	561.731	3.928	0	30	KHAC	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)OC(C)(C)C)cc1)C(=O)O	149251200	MGEHXISMIBRYJL-VXKWHMMOSA-N	544.601	3.954	0	30	KHAC	
CCOc1c(N)c2c(c(OCC)c1OCC)[C@H]([C@@H]1c3c(cc4c(c3OC)OCO4)CCN1C)OC2=O	30691556	IRGJVQIJENCTQF-PZJWPPBQSA-N	500.548	3.643	0	30	KHAC	world
CCCCC(=O)O[C@@H]1[C@@H]2[C@](C)(C(=O)[C@H](OC(C)=O)C3=C(C)[C@H](OC(=O)[C@@H](O)[C@H](NC(=O)c4ccccc4)c4ccccc4)C[C@]1(O)C3(C)C)[C@@H](O)C[C@H]1OC[C@]21OC(C)=O	575627634	YYPPXYNBYNRARE-ZYYFXDAMSA-N	833.928	3.612	0	30	KHAC	in-vitro
O=C(OC[C@@H](OC(=O)c1cccnc1)[C@@H](OC(=O)c1cccnc1)[C@H](OC(=O)c1cccnc1)[C@@H](COC(=O)c1cccnc1)OC(=O)c1cccnc1)c1cccnc1	85537103	IMRLNFKFNFLWQF-MGXDLYCJSA-N	812.748	3.973	0	30	KHAC	in-man
CC(=O)OC(C)(C)[C@H]1O[C@@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@H]3O	96086361	NNFJPOSVDKIWPO-VYWUFNEXSA-N	662.861	3.692	0	30	KHAC	
O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1	1029469	HDPQKTZFEXEBAU-UHFFFAOYSA-N	519.350	3.587	0	30	KHAC	
CCOc1c(N)c2c(c(OCC)c1OCC)[C@H]([C@H]1c3c(cc(OC)c(OC)c3OC)CCN1C)OC2=O	31477040	FPSZSEINEGCRIJ-IFMALSPDSA-N	516.591	3.931	0	30	KHAC	
O=C(COCC(=O)OCC(=O)c1ccc(C(F)(F)F)cc1)OCC(=O)c1ccc(C(F)(F)F)cc1	12368155	VGCWJWUCSOBNDD-UHFFFAOYSA-N	506.351	3.893	0	30	KHAC	
CC(C)(C)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)O	150635653	SYAPLQQIILJUCT-UDCWBUBOSA-N	843.975	3.878	0	30	KHAC	
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NCCCOCCOCCOCCOCCOCCCN)ncnc43)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	299803510	VBISEHZEMAAMKL-FOQJVDBMSA-N	861.006	3.705	0	30	KHAC	
CC[C@H](C)[C@H]([C@H](CC(=O)N1CCC[C@@H]1[C@H](OC)[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)O)OC)N(C)C(=O)[C@H](NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN1C(=O)C=CC1=O)C(C)C	504268795	ORFNVPGICPYLJV-WMHFMPAUSA-N	925.178	3.828	0	30	KHAC	
CC[C@H](C)[C@H]([C@H](CC(=O)N1CCC[C@@H]1[C@H](OC)[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)O)OC)N(C)C(=O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C(=O)CCCCCN1C(=O)C=CC1=O)C(C)C	504268794	ORFNVPGICPYLJV-SJJDGSJZSA-N	925.178	3.828	0	30	KHAC	
CC(C)NC[C@H](COCc1ccccc1)OC(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O	4352855	NJTQWSKCNSQLNO-ZONZVBGPSA-N	563.603	3.649	0	30	KHAC	
CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@@]43[C@@H]65)C2)C1	252585621	JXLYSJRDGCGARV-JVZLHVILSA-N	810.989	3.991	0	30	KHAC	
CC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCN(Cc3c(F)cccc3Cl)CC2)cc1Cl	20412743	PFHAEVVTSITXSJ-UHFFFAOYSA-N	517.454	3.577	0	30	KHAC	
CC[C@@H](COCCOc1c(I)cc(I)c(NC(C)=O)c1I)C(=O)O	4213578	YMFIJXDFAPHJIN-VIFPVBQESA-N	673.023	3.965	0	30	KHAC	in-man
CC(C)(C)OC(=O)N[C@H](CO[S@](C)(=O)=S)C(=O)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21	299803287	GOYVQHUNKYMQDC-BUGWGTOGSA-N	628.681	3.805	0	30	KHAC	
Cc1nn(CC(=O)N/N=C/c2ccccc2OC(=O)c2ccccc2Br)c(C)c1[N+](=O)[O-]	33957995	PWGRXROROFTHQH-FOKLQQMPSA-N	500.309	3.540	0	30	KHAC	
CC(=O)Nc1cccc(OCCCNS(=O)(=O)c2ccc(N3C(=O)CC4(CCCC4)C3=O)c(Cl)c2)c1	95749402	WYNNSYUDVBSQKH-UHFFFAOYSA-N	534.034	3.870	0	30	KHAC	
O=C(O)C(=O)ON1C=CN(C[C@@](O)(COCCSc2ccccc2)c2ccc(Cl)cc2Cl)C1	223739340	CNKQFEMEGRMXMK-JOCHJYFZSA-N	513.399	3.579	0	30	KHAC	
CC(C)(C)OC(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	575409161	DNUOOZBDWHWDME-MHZLTWQESA-N	613.708	3.823	0	30	KHAC	
CC(C)(C)OC(=O)N[C@@H](CO[S@](C)(=O)=S)C(=O)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21	299803288	GOYVQHUNKYMQDC-CUNRAOKOSA-N	628.681	3.805	0	30	KHAC	
CCN(CC)CCCNc1nc(N)nc(Nc2ccc(/C=C/c3ccc(Nc4nc(N)nc(NCCCN(CC)CC)n4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)n1	199872738	BCMCDYHZBAPITI-VAWYXSNFSA-N	815.000	3.660	0	30	KHAC	
CN[C@H](C(=O)O[C@H](c1ccccc1)[C@H](NC(=O)C(NC(=O)[C@@H]([C@@H](O)c1ccccc1)N(C)C)=C(C)C)C(=O)N/C=C/c1ccc(O)cc1)C(C)C	263589293	HXLYZPGZSZWTSW-IJIRLNSXSA-N	699.849	3.566	0	30	KHAC	
COc1ccc(NCC(=O)OCCn2c(C)nc3c(Br)cc(Br)cc3c2=O)cc1	1851621	CNYOXBWJBKCCJB-UHFFFAOYSA-N	525.197	3.894	0	30	KHAC	
COc1ccc([C@@H]2OC[C@H]3O[C@H](OC)[C@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3O2)cc1	100054472	ZQSLDTFWMCNNCZ-VLZGMPIUSA-N	520.534	3.932	0	30	KHAC	
CC(C)C[C@@H](NC(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1	1774020878	NEWDSLVFWXXORY-NHKHRBQYSA-N	529.681	3.948	0	30	KHAC	
COCCOC(=O)c1cc(Br)c(/N=N/c2ccc(N(CCO)CCO)cc2C)c([N+](=O)[O-])c1	60257744	IDLLVUHLKAFFSN-WCWDXBQESA-N	525.356	3.675	0	30	KHAC	
Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3cc(CCON4C(=O)c5ccccc5C4=O)c(-n4cncn4)nc3=O)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1	150353417	KYXQXLIBXWCMRO-OJDZSJEKSA-N	704.696	3.581	0	30	KHAC	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(c2c(N)[nH]c(=S)[nH]c2=O)c2c(N)[nH]c(=S)[nH]c2=O)cc1	8636903	KDEJECUWENWBMG-UHFFFAOYSA-N	530.639	3.684	0	30	KHAC	
CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](COC(=O)c2ccccc2)[C@@H](F)[C@@H]1OC(=O)c1ccccc1	44962902	KGDKOKWJAUETMI-CZECYLRVSA-N	521.541	3.854	0	30	KHAC	in-vitro
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O	85577282	KVQKGEMBRHVAOO-KCHLEUMXSA-N	575.662	3.573	0	30	KHAC	
CCOc1c(N)c2c(c(OCC)c1OCC)[C@H]([C@@H]1c3c(cc(OC)c(OC)c3OC)CCN1C)OC2=O	31477049	FPSZSEINEGCRIJ-RBBKRZOGSA-N	516.591	3.931	0	30	KHAC	
Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(O)c2C)CSC1(C)C	3941126	CUFQBQOBLVLKRF-RZDMPUFOSA-N	575.731	3.708	0	30	KHAC	in-vivo
CCOC(=O)C(=C/c1cc(OC)c(O)c(OC)c1)/C(=C\c1cc(OC)c(O)c(OC)c1)C(=O)OCC	205017442	DFHCCJWLEIUOLK-BEQMOXJMSA-N	502.516	3.725	0	30	KHAC	
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@@H]2OC(=O)CCC(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1	200297118	XIURVRZBPWXTPP-PKZQBKLLSA-N	630.650	3.627	0	30	KHAC	
CCC(=O)C[C@@H]1CNCCc2c([nH]c3ccccc23)[C@@](C(=O)OC)(c2cc3c(cc2OC)N(C=O)[C@@H]2[C@]34CCN3CC=C[C@@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@@]2(O)C(=O)OC)C1	575416950	GHCGXAFOOQYBDC-UBWVVZIRSA-N	810.945	3.630	0	30	KHAC	
CC(=O)Nc1c(I)cc(I)c([C@H](C)C(=O)O)c1I	95902842	NMAGEGBGCORVJO-BYPYZUCNSA-N	584.917	3.647	0	30	KHAC	
CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C[C@H](C2)[C@@H]1O	2265379916	WZESQBIPMBSRTJ-VEUWLLATSA-N	810.989	3.847	0	30	KHAC	
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)O	100306019	QVORAESNJZSAMB-ZKMPZPQNSA-N	546.654	3.863	0	30	KHAC	
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCc1ccccc1)NC(=O)OC(C)(C)C	207396937	JFGARGKDQGQVNA-CYXNTTPDSA-N	553.700	3.944	0	30	KHAC	
CC(C)(C)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)O	95725667	SYAPLQQIILJUCT-KFIZHRIMSA-N	843.975	3.878	0	30	KHAC	
CC(C)C[C@H](NC(=O)[C@H](N)CCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1	504016106	NEWDSLVFWXXORY-SSBOKUKZSA-N	529.681	3.948	0	30	KHAC	
CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(O)nc2=O)[C@](C)(F)[C@@H]1OC(=O)c1ccccc1)Oc1ccccc1	725382195	FUHXASLGIVTGLC-OQRQYOSKSA-N	633.566	3.934	0	30	KHAC	
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Br)[C@@H](O)C[C@]2(C)[C@@]1(Br)C(=O)CO	34064597	ABWOTFZUTTYNAA-XGKZOERBSA-N	516.270	3.724	0	30	KHAC	
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCc1ccccc1)NC(=O)OC(C)(C)C	207396894	JFGARGKDQGQVNA-ZNZIZOMTSA-N	553.700	3.944	0	30	KHAC	
CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)ccc21	1775937456	ICZSAXDKFXTSGL-UHFFFAOYSA-N	678.758	3.618	0	30	KHAC	
CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(=O)CN(C)C)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1	85540273	YNSIUGHLISOIRQ-SWSODSCOSA-N	854.058	3.533	0	30	KHAC	in-man
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]3O)cc12	575417984	PAAXRVKIJQNQMY-KUHJYSOOSA-N	646.737	3.896	0	30	KHAC	
CCOc1c(N)c2c(c(OCC)c1OCC)[C@@H]([C@@H]1c3c(cc4c(c3OC)OCO4)CCN1C)OC2=O	30691561	IRGJVQIJENCTQF-FPOVZHCZSA-N	500.548	3.643	0	30	KHAC	world
C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)OC(C)(C)C)[C@H](O)COc1c(F)c(F)cc(F)c1F	214479870	MNIKXVCJWUBHQR-ONGXBYRLSA-N	627.632	3.640	0	30	KHAC	
CC(C)(C)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)O	150635650	SYAPLQQIILJUCT-ACYSOYCRSA-N	843.975	3.878	0	30	KHAC	
Cc1ccc(C)n1CCN1CCN(S(=O)(=O)c2cc(Br)c(Br)s2)CC1	20223899	VMFIMLDJZFKNNE-UHFFFAOYSA-N	511.305	3.698	0	30	KHAC	
CC[C@H](C)[C@H]([C@H](CC(=O)N1CCC[C@@H]1[C@H](OC)[C@H](C)C(=O)N[C@H](C)[C@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C	504256912	WOWDZACBATWTAU-ACALEHKXSA-N	732.020	3.872	0	30	KHAC	
CC(=O)Nc1c(I)cc(I)c([C@@H](C)C(=O)O)c1I	95902843	NMAGEGBGCORVJO-SCSAIBSYSA-N	584.917	3.647	0	30	KHAC	
CC[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C\C=C/C=C\C=C/C=C\[C@H](O)[C@H](C)[C@H](O)C[C@H](O)C[C@H](O)CCC[C@H](O)C[C@@H]1O	263589400	JJDUHQRKYHRVNV-PRAYOKJSSA-N	564.760	3.517	0	30	KHAC	
COc1ccc2nc(-c3ccc(OC[C@H](O)CN(C)CCc4ccc(OC)c(OC)c4)cc3)n(C)c(=O)c2c1	33885719	BBXNSDWOXBABKJ-JOCHJYFZSA-N	533.625	3.541	0	30	KHAC	
CC(=O)O[C@@H]1[C@@H](N[C@H]2C=C(Br)[C@H]3OC(C)(C)O[C@H]3[C@@H]2NS(=O)(=O)c2ccc(C)cc2)C=C(Br)[C@H]2OC(C)(C)O[C@H]21	2265351634	FQVLWUARFQKRMH-PMZOHARJSA-N	706.450	3.525	0	30	KHAC	
CC[C@@H](O)C[C@@H]1O[C@@]2(CC[C@@H]1C)C[C@@H]1OC(=O)/C=C/[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)C[C@@H](O)[C@](C)(O)CCC/C=C/[C@@H]3C[C@H](C)CO[C@@]3(O)C[C@H](O2)[C@H]1C	263589000	BNVZCZJOQPRHLO-SMUQHDSOSA-N	740.972	3.654	0	30	KHAC	
CCN1C[C@@]2(COC)CC[C@H](OC)[C@@]34[C@H]2[C@H](OC)[C@@H]([C@@H]13)[C@]1(OC(C)=O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccc(OC)cc1	257479390	LYUPEIXJYAJCHL-HUFZSUGUSA-N	627.775	3.600	0	30	KHAC	
CC(C)(C)OC(=O)N[C@H](CO[S@@](C)(=O)=S)C(=O)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21	299803290	GOYVQHUNKYMQDC-ZXBYXDSMSA-N	628.681	3.805	0	30	KHAC	
Cn1c(=O)n(CCC(C)(C)O)c2cc(N=c3[nH]c(N4CC(C)(C)OC(C)(C)C4)ncc3Cl)ccc21	1857612840	BGCPLWWYPZAURQ-UHFFFAOYSA-N	503.047	3.504	0	30	KHAC	
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)[C@H]6O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(C=O)[C@@H]5CC[C@]43C)[C@@H]2C1	263584381	RHNWBDNAUYZYPU-OPOCCNBLSA-N	646.818	3.763	0	30	KHAC	
CC[C@H](C)[C@H]([C@H](CC(=O)N1CCC[C@@H]1[C@H](OC)[C@H](C)C(=O)N[C@H](C)[C@H](O)c1ccccc1)OC)N(C)C(=O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)C	504256913	WOWDZACBATWTAU-AGQVNUEXSA-N	732.020	3.872	0	30	KHAC	
N[C@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21	96030669	NYQVYZZGZCNEMF-QUWBWRJASA-N	540.815	3.746	0	30	KHAC	
O=C(CNCc1ccccc1)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CNCc3ccccc3)cc2)cc1	4792331	RTEGDEPCRDVVIQ-UHFFFAOYSA-N	542.661	3.976	0	30	KHAC	
C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)COc1c(F)c(F)cc(F)c1F	100470919	RIUVUYDKONHLBC-YWZLYKJASA-N	625.616	3.848	0	30	KHAC	
COc1ccc(CNc2cc(Cn3c(C(=O)c4cc(C)cc(C#N)c4)c(Br)c(=O)[nH]c3=O)cc(F)n2)cc1	113975936	OYJBGJYSSBKJOB-UHFFFAOYSA-N	578.398	3.913	0	30	KHAC	
COC1CCC(NC[C@H](C(=O)N2CCN(c3ncnc4c3[C@@H](C)C[C@H]4O)CC2)c2ccc(Cl)c(F)c2)CC1	213519849	XYOUBZSWKDRAAH-NMNWXZRVSA-N	546.087	3.789	0	30	KHAC	
CCCC(C)(COC(=O)N[C@@H](O)C(Cl)(Cl)Cl)COC(=O)N[C@@H](O)C(Cl)(Cl)Cl	31374515	OMCKLQRQFUWZOA-YUMQZZPRSA-N	513.029	3.622	0	30	KHAC	
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)O	238790907	QVORAESNJZSAMB-ICDZXHCJSA-N	546.654	3.863	0	30	KHAC	
CCOC(=O)c1ccc(NC(=S)N2CCN(C(=S)Nc3ccc(C(=O)OCC)cc3)CC2)cc1	8649477	NQBCMMSJECZYLI-UHFFFAOYSA-N	500.646	3.751	0	30	KHAC	
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O	77312918	BTVYFIMKUHNOBZ-URFUDWCHSA-N	695.762	3.630	0	30	KHAC	
CCCN(C)S(=O)(=O)c1ccc(OCCOC)c(N2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)c1	950757416	APBOJUDLWVHAIB-UHFFFAOYSA-N	561.598	3.863	0	30	KHAC	
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)O	100306022	QVORAESNJZSAMB-HVCNVCAESA-N	546.654	3.863	0	30	KHAC	
O=C(Cc1cccc2ccccc12)Oc1ccc(C(=O)OCCN2CCN(CC(=O)N3CCCCC3)CC2)cc1	111455465	PIRHXEDSVMFROF-UHFFFAOYSA-N	543.664	3.775	0	30	KHAC	
CN(C)[C@@H](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cc(Br)c3c(N)ncnc32)[C@H](O)[C@@H]1O	575440207	BZZSSZXJIUGFCT-LXJLRBNVSA-N	618.577	3.615	0	30	KHAC	
COC(=O)[C@@H](Cc1ccccc1OC)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1	2265385129	FPUNBFZNOBAEHZ-JWQCQUIFSA-N	502.567	3.659	0	30	KHAC	
CC1=NN(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)O)cc1C	111489393	CYBSSEWFMQEFFV-FVGNFYTDSA-N	521.360	3.670	0	30	KHAC	
CC1=NN(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)C(=O)[C@H]1/N=N/c1cc(NC(=O)CCl)ccc1S(=O)(=O)O	111492242	FOQIQLBLNGVOLA-LRDZBDLTSA-N	598.830	3.539	0	30	KHAC	
CC(C)N(C[C@@H]1O[C@H](n2ccc3c(N)ncnc32)[C@@H](O)[C@@H]1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1	1531861542	VAVSYAHRMOHGMQ-MGYGJPNWSA-N	561.731	3.928	0	30	KHAC	
c1ccc(Cn2ncc(CN(Cc3cnn(Cc4ccccc4)n3)Cc3cnn(Cc4ccccc4)n3)n2)cc1	1565503842	VRFUYXJYUUTHJL-UHFFFAOYSA-N	530.640	3.808	0	30	KHAC	
CCOC(=O)c1c(S(=O)(=O)N2CCS[C@@H]2C(=O)OC)c(-c2ccccc2)n(-c2ccccc2)c1C	1047137	SFFGXPJUCLLNLL-HSZRJFAPSA-N	514.625	3.866	0	30	KHAC	
CC[C@H](C)[C@H]([C@H](CC(=O)N1CCC[C@@H]1[C@H](OC)[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)O)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN1C(=O)C=CC1=O)C(C)C	504268793	ORFNVPGICPYLJV-PRRSZEHJSA-N	925.178	3.828	0	30	KHAC	
COc1ccccc1N1CCN(C(=O)[C@H](C)N2CCN(c3nc4cc(Cl)ccc4s3)CC2)CC1	63598642	CTBNCYSQMNBVJZ-SFHVURJKSA-N	500.068	3.818	0	30	KHAC	
CC(C)C[C@@H](NC(=O)[C@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1	1774020879	NEWDSLVFWXXORY-NLDZOOGBSA-N	529.681	3.948	0	30	KHAC	
CCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC(=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)O	238790972	GZLVZMUTEZRBOV-CAOCKLPOSA-N	546.654	3.863	0	30	KHAC	
COc1ccc(COC(=O)[C@H](C(=O)N[C@]2(OC)C(=O)N3C(C(=O)OC(c4ccccc4)c4ccccc4)=C(CSc4nnnn4C)CO[C@H]32)c2ccc(O)cc2)cc1	256003361	TYTWNEXLMSXPBY-AOQBCRHISA-N	806.854	3.788	0	30	KHAC	
O=C1C[C@](/C=C/c2ccccc2)(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)N1C1CCCCC1	8636609	LMWILXSLIOFTBA-MJAMSPNLSA-N	523.655	3.663	0	30	KHAC	
Cc1ncsc1-c1ccc(CN2C[C@H](O)C[C@H]2C(=O)NC(=O)[C@H](NC(=O)CCCCCCC(=O)O)C(C)(C)C)cc1	2265364134	GBGFVGFBOFNCDH-KHVXQDHOSA-N	586.755	3.653	0	30	KHAC	
CN[C@H](C(=O)O[C@H](c1ccccc1)[C@H](NC(=O)C(NC(=O)[C@H]([C@@H](O)c1ccccc1)N(C)C)=C(C)C)C(=O)N/C=C/c1ccc(O)cc1)C(C)C	263589294	HXLYZPGZSZWTSW-TYRDNTDRSA-N	699.849	3.566	0	30	KHAC	
CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C	118641552	WWMMJDGQZAJVKE-QYQUALKTSA-N	569.747	3.655	0	30	KHAC	in-vitro
COc1ccc(C(OC[C@H]2O[C@@H](n3c(=O)[nH]c4c(=O)[nH]c(NC(=O)C(C)C)nc43)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	150663992	ULZDVFMQEKAWIP-UPRLRBBYSA-N	655.708	3.682	0	30	KHAC	
CC[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C\C=C/C=C\C=C/C=C\[C@H](O)[C@H](C)[C@H](O)C[C@H](O)C[C@H](O)CCC[C@@H](O)C[C@@H]1O	263589399	JJDUHQRKYHRVNV-JQAHSGRFSA-N	564.760	3.517	0	30	KHAC	
CCOc1c(I)cc(I)c(N(C)C(=O)CCC(=O)O)c1I	95876269	SCPFWZCJUMXPGC-UHFFFAOYSA-N	628.970	3.727	0	30	KHAC	
CC(C)C[C@@H](NC(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1	1774020880	NEWDSLVFWXXORY-ZGIBFIJWSA-N	529.681	3.948	0	30	KHAC	
Cn1c(=O)c2c(nc(Oc3ccc(Br)cc3Br)n2Cc2ccccc2)n(C)c1=O	1035595	UJMRPDPGNYQIMN-UHFFFAOYSA-N	520.181	3.799	0	30	KHAC	
CC(C)(C)OC(=O)N[C@@H](CO[S@@](C)(=O)=S)C(=O)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21	299803289	GOYVQHUNKYMQDC-HBQNFUEHSA-N	628.681	3.805	0	30	KHAC	
CC(C)C[C@H](NC(=O)[C@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1	504016107	NEWDSLVFWXXORY-ULNSLHSMSA-N	529.681	3.948	0	30	KHAC	
CC[C@H]1CN(c2nc(N)c(C(=O)OC)nc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1	165909104	LRTVOVUPYDKBCN-SFHVURJKSA-N	507.466	3.717	0	30	KHAC	
O=C(Nc1cccc2c(=O)cc(-c3nnn[nH]3)oc12)c1ccc2c(c1)C[C@H](COCc1ccc(F)cc1)O2	3918464	LJJHEYJRUPPUTP-LJQANCHMSA-N	513.485	3.885	0	30	KHAC	
CC[C@H](C)[C@@H]([C@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C	214943120	DASWEROEPLKSEI-YZNWDIBBSA-N	717.993	3.530	0	30	KHAC	
CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)[C@H]1N1C(=O)c2ccccc2C1=O	77302633	HYDHLSHOGOVBCQ-SFZFIBNASA-N	501.535	3.722	0	30	KHAC	in-vitro
CC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OC(CNC(=O)CCc1ccccc1)CNC(=O)CCc1ccccc1	95787640	MRSFBDXXTLBMSE-SSEXGKCCSA-N	631.795	3.651	0	30	KHAC	
COc1ccc(Cc2cc([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2Cl)cc1	116913145	FCPJIBQVWWLKOP-VFHRMQJUSA-N	562.999	3.738	0	30	KHAC	in-vitro
COC1CCC(NC[C@H](C(=O)N2CCN(c3ncnc4c3[C@@H](C)C[C@@H]4O)CC2)c2ccc(Cl)c(F)c2)CC1	213519795	XYOUBZSWKDRAAH-MRQVREERSA-N	546.087	3.789	0	30	KHAC	
CCN1C[C@@]2(COC)CC[C@H](OC)[C@@]34[C@H]2[C@H](OC)[C@@H]([C@@H]13)[C@]1(OC(C)=O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@@H]2OC(=O)c1ccc(OC)cc1	257479391	LYUPEIXJYAJCHL-ISJLZAHXSA-N	627.775	3.600	0	30	KHAC	
CCC(=O)C[C@H]1CNCCc2c([nH]c3ccccc23)[C@@](C(=O)OC)(c2cc3c(cc2OC)N(C=O)[C@H]2[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@@]4(CC)C=CCN5CC[C@]32[C@H]54)C1	575416951	GHCGXAFOOQYBDC-ZWKBLQRSSA-N	810.945	3.630	0	30	KHAC	
C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)OC(C)(C)C)[C@@H](O)COc1c(F)c(F)cc(F)c1F	214479925	MNIKXVCJWUBHQR-JHVJFLLYSA-N	627.632	3.640	0	30	KHAC	
CO[C@H]1CC[C@H](O[C@H]2[C@H](C)[C@@H]([C@H]3CC[C@H]([C@@H]4CC[C@H]([C@@]5(C)O[C@]6(O[C@H](C[C@@H]7O[C@](O)([C@@H](O)C(=O)O)[C@@H](C)[C@H](OC)[C@@]7(C)OC)C[C@@H](OC)[C@H]6C)[C@H](C)[C@H]5OC)O4)O3)O[C@](C)(O)[C@@H]2C)O[C@@H]1C	255260711	QFHLVPYVNFSTBE-SMAIMEEGSA-N	947.166	3.942	0	30	KHAC	
O=S(=O)(c1ccc(N[C@H](C[C@H](c2ccccc2)S(=O)(=O)O)S(=O)(=O)O)cc1)c1ccc(N[C@@H](C[C@@H](c2ccccc2)S(=O)(=O)O)S(=O)(=O)O)cc1	8214456	HCCUQCPVNVAHMV-LPOKLPNDSA-N	804.921	3.809	0	30	KHAC	in-man
CCOP(=O)(NC(=S)Nc1ccccc1NC(=O)NS(=O)(=O)c1ccc(C)cc1)OCC	4217615	NDXFLHPUUKVXLQ-UHFFFAOYSA-N	500.539	3.973	0	30	KHAC	in-man
COC(=O)c1cnc(N2CCCN(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)nc1C(F)(F)F	1032143	XMGLYTOMNINJLE-UHFFFAOYSA-N	507.391	3.925	0	30	KHAC	
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(I)cc2I)c1	8648787	JUSCVHAISUBERE-UHFFFAOYSA-N	545.136	3.714	0	30	KHAC	
CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C	118641548	WWMMJDGQZAJVKE-OWUXGNKUSA-N	569.747	3.655	0	30	KHAC	
CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	34039002	WYQPLTPSGFELIB-XMQLSWQUSA-N	508.558	3.520	0	30	KHAC	biogenic
O=C1CC[C@H](N2C(=O)c3cccc(OCCCCCOc4ccc(CC(=O)Nc5cc(C6CCC6)[nH]n5)cc4)c3C2=O)C(=O)N1	1250228391	WCEHIDWONYOKOJ-VWLOTQADSA-N	613.671	3.888	0	30	KHAC	
N[C@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12	96030672	NYQVYZZGZCNEMF-HHJCGKLOSA-N	540.815	3.746	0	30	KHAC	
CC(C)C[C@@H](NC(=O)[C@H](N)CCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1	1774020877	NEWDSLVFWXXORY-MPFGFTFXSA-N	529.681	3.948	0	30	KHAC	
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)O	238790905	QVORAESNJZSAMB-CAOCKLPOSA-N	546.654	3.863	0	30	KHAC	
CC(C)(C)OC(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](Cc1ccccc1)C(N)=O	102648314	YSYINGULRGFPKE-KAYWLYCHSA-N	557.647	3.838	0	30	KHAC	
CC[C@H](COCCOc1c(I)cc(I)c(NC(C)=O)c1I)C(=O)O	11680721	YMFIJXDFAPHJIN-SECBINFHSA-N	673.023	3.965	0	30	KHAC	in-man
CCOc1c(N)c2c(c(OCC)c1OCC)[C@@H]([C@H]1c3c(cc(OC)c(OC)c3OC)CCN1C)OC2=O	31477045	FPSZSEINEGCRIJ-IRLDBZIGSA-N	516.591	3.931	0	30	KHAC	in-man
CC(C)(C(=O)Nc1ccccc1NC(=O)C(C)(C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O	100027878	LHJXACSLUROMKE-UHFFFAOYSA-N	538.560	3.713	0	30	KHAC	
O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1	1037934	KRKKDBGOHJHJIH-UHFFFAOYSA-N	503.442	3.578	0	30	KHAC	
CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(c2ccncc2)CC1	35881646	ZZRJRBLQIQRNTR-DEOSSOPVSA-N	525.650	3.720	0	30	KHAC	
N[C@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12	96030670	NYQVYZZGZCNEMF-WWANZKENSA-N	540.815	3.746	0	30	KHAC	
CCOC(=O)c1c(S(=O)(=O)N2CCS[C@H]2C(=O)OC)c(-c2ccccc2)n(-c2ccccc2)c1C	1047135	SFFGXPJUCLLNLL-QHCPKHFHSA-N	514.625	3.866	0	30	KHAC	
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)c(OCCOc2ccc(C=O)cc2)c1	1857524122	LUMJVRZEGKJYON-JUFIIOIISA-N	680.799	4.000	0	30	KHAC	
Cc1nc2c(Br)cc(Br)cc2c(=O)n1CCOC(=O)CN(C)c1ccccc1	1851626	IRSNNOQZOLGNLH-UHFFFAOYSA-N	509.198	3.910	0	30	KHAC	
CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O)[C@@H](O)CCCC(=O)O	103652153	PYSODLWHFWCFLV-AXEBJCQESA-N	568.733	3.661	0	30	KHAC	in-vitro
COc1c2c(cc(Br)c1C(=O)N1O[C@@]3(Br)C(Br)=C[C@H]1[C@H]1OC(C)(C)O[C@@H]13)OCO2	2265352096	QEHBWFZIOBINCE-HGTBGHLWSA-N	598.038	3.846	0	30	KHAC	
COC(=O)CCCCCCCCO[C@@H]1O[C@@H]2CO[C@@H](c3ccc(OC)cc3)O[C@H]2[C@H](O)[C@H]1N1C(=O)c2ccccc2C1=O	77302208	FQOYSSBKHUIEBE-KDGJHNFDSA-N	597.661	3.780	0	30	KHAC	in-vitro
Cc1c[nH]c(C)c1C(=O)O[C@@H](C)C1=CC[C@@]23OCCN(C)C[C@@]12C[C@@H](O)[C@]12O[C@@]4(O)CC[C@@]1(C)[C@H](CC=C23)C4	263589349	ISNYUQWBWALXEY-KQSRDXMQSA-N	538.685	3.553	0	30	KHAC	in-vitro
C[C@@H](Cn1c(=O)nc(Nc2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)O	1911936347	SKZQFKBIJUXXCG-INIZCTEOSA-N	507.934	3.758	0	30	KHAC	
CC(C)[C@]12O[C@H](C[C@H](O)CC(=O)O)CCN1[C@](O)(c1ccc(F)cc1)[C@@]1(c3ccccc3)O[C@]12C(=O)Nc1ccccc1	299872194	SKRXFJSNBQVBSO-XORVQSSCSA-N	590.648	3.957	0	30	KHAC	in-vitro
CCOc1c(N)c2c(c(OCC)c1OCC)[C@@H]([C@H]1c3c(cc4c(c3OC)OCO4)CCN1C)OC2=O	30691552	IRGJVQIJENCTQF-CTNGQTDRSA-N	500.548	3.643	0	30	KHAC	world
CC(C)[C@]12O[C@H](C[C@H](O)CC(=O)O)CCN1[C@](O)(c1ccc(F)cc1)[C@@]1(c3ccccc3)O[C@@]12C(=O)Nc1ccccc1	299872191	SKRXFJSNBQVBSO-AZFKVOMOSA-N	590.648	3.957	0	30	KHAC	in-vitro
CC(C)(C)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)O	150635647	SYAPLQQIILJUCT-NZKHRDNMSA-N	843.975	3.878	0	30	KHAC	
CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C[C@H](C2)[C@H]1O	2265379915	WZESQBIPMBSRTJ-JVCUYBKWSA-N	810.989	3.847	0	30	KHAC	
COc1ccc([C@@H]2CC(=O)NCCCN(C(=O)CCc3ccc(OC(C)=O)cc3)CCCCN(C(C)=O)CCCN2C(C)=O)cc1	136828434	KUCMPJJAEDWUMS-XIFFEERXSA-N	636.790	3.900	0	30	KHAC	
CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(CNS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O	150569021	NLLUOMDMSMVXKN-UIOHFMAFSA-N	717.861	3.618	0	30	KHAC	
O=C1CC[C@@H](N2C(=O)c3cccc(OCCCCCOc4ccc(CC(=O)Nc5cc(C6CCC6)[nH]n5)cc4)c3C2=O)C(=O)N1	1250228390	WCEHIDWONYOKOJ-RUZDIDTESA-N	613.671	3.888	0	30	KHAC	
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(=O)OC(C)(C)C	205143800	JFGARGKDQGQVNA-NXCFDTQHSA-N	553.700	3.944	0	30	KHAC	
O=C(O)C(=O)ON1C=CN(C[C@](O)(COCCSc2ccccc2)c2ccc(Cl)cc2Cl)C1	223739285	CNKQFEMEGRMXMK-QFIPXVFZSA-N	513.399	3.579	0	30	KHAC	
O=S(=O)(c1ccc(N[C@H](C[C@@H](c2ccccc2)S(=O)(=O)O)S(=O)(=O)O)cc1)c1ccc(N[C@H](C[C@H](c2ccccc2)S(=O)(=O)O)S(=O)(=O)O)cc1	212604927	HCCUQCPVNVAHMV-XJYHXZFBSA-N	804.921	3.809	0	30	KHAC	
O=C(OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	100858621	HYIROYSRWYWYBO-ZYWWQZICSA-N	580.553	3.738	0	30	KHAC	
CC[C@H](C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1CCC[C@]21CO1)C1=CC(=O)OC1	140192189	LJHYCABROUGORR-DUWLCKCXSA-N	534.646	3.914	0	30	KHAC	
CCCSc1nc(N[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H]4OC(C)(C)O[C@@H]43)c2n1	256069158	WLEOHEIRUFTYCF-KGIGKFAVSA-N	562.643	3.812	0	30	KHAC	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)N(CCC)CCC)cc3)CC2)cc1	8648197	INGWFPSEYBLQAX-UHFFFAOYSA-N	620.838	3.906	0	30	KHAC	
CN(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O	95784002	TUGXOPBOEKMSSZ-UHFFFAOYSA-N	559.626	3.824	0	30	KHAC	
CCC[C@](C)(COC(=O)N[C@@H](O)C(Cl)(Cl)Cl)COC(=O)N[C@H](O)C(Cl)(Cl)Cl	256272868	OMCKLQRQFUWZOA-VROVMSAKSA-N	513.029	3.622	0	30	KHAC	
COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@@H](C(=O)Nc3ccccc3Cl)C2)cc(OC)c1OC	14242983	NRRYHQKEBUXUNQ-JOCHJYFZSA-N	628.078	3.997	0	30	KHAC	
COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)N1CC=CCN(C(=O)OC(C)(C)C)S1(=O)=O	299803387	NCPSKGIGIFADBO-QHCPKHFHSA-N	516.616	3.703	0	30	KHAC	
CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1	113079837	DALMAZHDNFCDRP-WDYNHAJCSA-N	601.704	3.614	0	30	KHAC	
CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C	118641556	WWMMJDGQZAJVKE-XPVPTZRYSA-N	569.747	3.655	0	30	KHAC	
CCOc1c(N)c2c(c(OCC)c1OCC)[C@H]([C@H]1c3c(cc4c(c3OC)OCO4)CCN1C)OC2=O	30691548	IRGJVQIJENCTQF-TZIWHRDSSA-N	500.548	3.643	0	30	KHAC	world
Cc1ccc(S(=O)(=O)N[C@@H]2[C@@H](NCc3ccccc3)C=C(Br)[C@H]3OC(C)(C)O[C@H]32)cc1	2265351546	FETWWOVAKMTJFA-CBPXPLCBSA-N	507.450	3.613	0	30	KHAC	
CC(=O)SC[C@H](Cc1ccccc1)C(=O)NCC(=O)OC(CNC(=O)CCc1ccccc1)CNC(=O)CCc1ccccc1	95787641	MRSFBDXXTLBMSE-PMERELPUSA-N	631.795	3.651	0	30	KHAC	
C[C@H]1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C	1857787682	ZNEIIZNXGCIAAL-LYMHEEAYSA-N	578.787	3.618	0	30	KHAC	
CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H](COC(=O)c2ccccc2)[C@@H](F)[C@H]1OC(=O)c1ccccc1	65734555	KGDKOKWJAUETMI-GRDIGNMCSA-N	521.541	3.854	0	30	KHAC	
O=C(O)C1CCN(S(=O)(=O)c2ccc(NN=Cc3ccccc3C(F)(F)F)c([N+](=O)[O-])c2)CC1	254743186	RGSACDMNHXUKMD-UHFFFAOYSA-N	500.455	3.545	0	30	KHAC	
CC(C)(C)OC(=O)CCOCCN(CCOCCC(=O)OC(C)(C)C)CCOCCC(=O)OC(C)(C)C	575419681	LKCCJLWRSASXKB-UHFFFAOYSA-N	533.703	3.534	0	30	KHAC	
CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)O	1615526423	NTUSIHMSJBVWSZ-HSZRJFAPSA-N	525.602	3.790	0	30	KHAC	
CC1=NN(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)O)cc1C	111489398	CYBSSEWFMQEFFV-BZROSYFNSA-N	521.360	3.670	0	30	KHAC	
N[C@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21	96030671	NYQVYZZGZCNEMF-KIEILLJHSA-N	540.815	3.746	0	30	KHAC	
CCN1C[C@@]2(COC)CC[C@H](OC)[C@@]34[C@H]2[C@@H](OC)[C@@H]([C@@H]13)[C@]1(OC(C)=O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@@H]2OC(=O)c1ccc(OC)cc1	257479389	LYUPEIXJYAJCHL-HNARVIPCSA-N	627.775	3.600	0	30	KHAC	
CCCSc1nc(N[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@H]4OC(C)(C)O[C@H]43)c2n1	205255007	WLEOHEIRUFTYCF-PHCOHBDUSA-N	562.643	3.812	0	30	KHAC	
CCOc1ccc(C(=O)c2cc([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2Cl)cc1	605699337	FCEVXXDFLKPTIF-GLOKNNJPSA-N	591.009	3.768	0	30	KHAC	
COc1ccc(CCNS(=O)(=O)c2ccc(N3C(=O)CC4(CCCC4)C3=O)c(Cl)c2)cc1OC	1048471	HOSONTSTSGJMNL-UHFFFAOYSA-N	507.008	3.702	0	30	KHAC	
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C	263589191	GGZYOFVKHSKDIP-WSMWQBPRSA-N	683.751	3.996	0	30	KHAC	
CC(=O)N[C@H]1[C@@H](OC(C)=O)O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	95725723	SDKBHKMVFPXAOA-ROQXEPJXSA-N	589.641	3.651	0	30	KHAC	
CC[C@H](C)[C@H]([C@H](CC(=O)N1CCC[C@@H]1[C@H](OC)[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)O)OC)N(C)C(=O)[C@@H](NC(=O)[C@@H](C(C)C)N(C)C(=O)CCCCCN1C(=O)C=CC1=O)C(C)C	504268792	ORFNVPGICPYLJV-NTGQEAOZSA-N	925.178	3.828	0	30	KHAC	
O=C1Cc2cc(C(=O)N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)CC3CCN(CCCC(F)(F)F)CC3)c(Cl)cc2N1	642881667	OTEIUEJPHNOGBG-OWZKRDHZSA-N	591.096	3.944	0	30	KHAC	
CCC(=O)C[C@H]1CNCCc2c([nH]c3ccccc23)[C@@](C(=O)OC)(c2cc3c(cc2OC)N(C=O)[C@@H]2[C@]34CCN3CC=C[C@@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@@]2(O)C(=O)OC)C1	575416949	GHCGXAFOOQYBDC-HAPZCDKDSA-N	810.945	3.630	0	30	KHAC	
CCN(C(=O)CCC(=O)O)c1c(I)cc(I)c(NC)c1I	4216612	IGSPYLOKMDUVEX-UHFFFAOYSA-N	627.986	3.760	0	30	KHAC	in-man
COC(=O)CCCCCCCCO[C@@H]1O[C@@H]2CO[C@H](c3ccc(OC)cc3)O[C@H]2[C@H](O)[C@H]1N1C(=O)c2ccccc2C1=O	77302213	FQOYSSBKHUIEBE-ZAAYUDAKSA-N	597.661	3.780	0	30	KHAC	in-vitro
O=S(=O)(O)c1ccc(-c2ccc(-c3nnc(-c4ccc(S(=O)(=O)O)cc4)c(-c4ccc(S(=O)(=O)O)cc4)n3)nc2)cc1	299803470	RYAYXEMIVKLYGT-UHFFFAOYSA-N	626.650	3.675	0	30	KHAC	
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)[C@H]6O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(C=O)[C@@H]5CC[C@]43C)[C@@H]2C1	263584380	RHNWBDNAUYZYPU-BJROHLDCSA-N	646.818	3.763	0	30	KHAC	
O=C(OC[C@H]1O[C@H](n2cc(F)c(O)nc2=O)C[C@@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	575346792	OGKGUIKIBDTIHT-OTWHNJEPSA-N	523.300	3.765	0	30	KHAC	in-vitro
COC(=O)[C@@H](Cc1ccccc1OC)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1	59617787	FPUNBFZNOBAEHZ-RPBOFIJWSA-N	502.567	3.659	0	30	KHAC	
COC(=O)[C@H](Cc1ccccc1OC)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1	2265385130	FPUNBFZNOBAEHZ-LOSJGSFVSA-N	502.567	3.659	0	30	KHAC	
COc1c2c(cc(Br)c1C(=O)N1O[C@@]3(Br)C(Br)=C[C@H]1[C@@H]1OC(C)(C)O[C@H]13)OCO2	2265352094	QEHBWFZIOBINCE-CWZSMESCSA-N	598.038	3.846	0	30	KHAC	
COc1ccc([C@H]2OC[C@H]3O[C@H](OC)[C@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3O2)cc1	100054476	ZQSLDTFWMCNNCZ-HCDUWJCLSA-N	520.534	3.932	0	30	KHAC	
CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2ccc(N3C(=O)CC4(CCCC4)C3=O)c(Cl)c2)CC1	1048415	SHCOFUIMTDBPPI-UHFFFAOYSA-N	526.055	3.842	0	30	KHAC	
CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1[C@H]2O)COC(=O)[C@@]3(O)CC	97974972	XQUUJPQAMJFQHV-BZKUTMRRSA-N	602.688	3.582	0	30	KHAC	in-vitro
CC(C)(C)OC(=O)N[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@H]12	1772768907	YRRRNQAUFCGPFX-LFGNPKQDSA-N	856.959	3.985	0	30	KHAC	
O=S(=O)(c1ccccc1)c1csc(S(=O)(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1	95725753	POHGEEOMAKKUJR-UHFFFAOYSA-N	531.603	3.896	0	30	KHAC	
COc1ccc(COC(=O)[C@H](C(=O)N[C@@]2(OC)C(=O)N3C(C(=O)OC(c4ccccc4)c4ccccc4)=C(CSc4nnnn4C)CO[C@@H]32)c2ccc(O)cc2)cc1	256003362	TYTWNEXLMSXPBY-BZHIAYOASA-N	806.854	3.788	0	30	KHAC	
CN1CC(C(=O)NCc2ccc3c(-c4cccc(C(N)=S)c4)cn(C4CCN(S(=O)(=O)C(F)(F)F)CC4)c3c2)C1	1911923700	VPQCHIWQHIOPQS-UHFFFAOYSA-N	593.697	3.607	0	30	KHAC	
CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1[C@@H]2O)COC(=O)[C@@]3(O)CC	97974973	XQUUJPQAMJFQHV-LXANVCGNSA-N	602.688	3.582	0	30	KHAC	in-vitro
CC(C)C[C@H](NC(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1	504016108	NEWDSLVFWXXORY-YTCPBCGMSA-N	529.681	3.948	0	30	KHAC