smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1cccc(C)c1OCC(=O)NN=C1C(=O)N(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccccc21	263586768	XRMAYSDANCORFU-VXKWHMMOSA-N	525.609	2.788	50	50	KFGA	biogenic
O=C(CCCCC(=O)NNC(=O)c1ccccc1I)NNC(=O)c1ccccc1I	150340431	IZSDIRUWVNVHSQ-UHFFFAOYSA-N	634.212	2.678	50	50	KFGA	
CCN(CC)S(=O)(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1	245227173	DUBCNCYBKCNSPB-KWRZAIAESA-N	534.270	2.999	50	50	KFGA	
CCOc1cc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	25782792	GVGKJGFOMMHFEM-WGOQTCKBSA-N	511.556	2.742	50	50	KFGA	
CN(C)N(C)C(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1	43130908	VQPFSIRUEPQQPP-MXBOTTGLSA-N	546.716	2.719	50	50	KFGA	investigational
O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	59603290	PPCNWBYRWFPLNE-UHFFFAOYSA-N	534.023	2.667	50	50	KFGA	
Cc1ccc(NC(=O)/C(=N\NC(=O)C(N)=O)[C@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1C	25584894	IFLIJRJJDKIWGU-HMZMLNEWSA-N	505.516	2.539	50	50	KFGA	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNS(=O)(=O)c3ccc(C)cc3)cc2OC)cc1	4261303	IZRKZNNQYONYIM-CVKSISIWSA-N	511.556	2.660	50	50	KFGA	
COc1cc(C(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC	33354860	ZYWOLDMXWZUVKM-RHSMWYFYSA-N	517.318	2.800	50	50	KFGA	
Cc1ccc(NC(=S)NNC(=O)CSc2nnc(-c3ccn(C)n3)n2C[C@H]2CCCO2)c(C)c1	20613917	UYIGXDSRIQPPBB-MRXNPFEDSA-N	500.654	2.584	50	50	KFGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)ccc1OC(=O)c1ccc(C)cc1	4261209	ITWLXPTUEPAKCN-UXHLAJHPSA-N	544.564	2.784	50	50	KFGA	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@]21C(=O)N(CC(=O)Nc2ccccc2)c2ccccc21	12428101	VRYKIPFDKNVIHH-LJAQVGFWSA-N	503.518	2.896	50	50	KFGA	
CCOc1ccc(CC(=O)NNC(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OCC	59603164	PLHZIQFSEDIGMZ-UHFFFAOYSA-N	530.632	2.635	50	50	KFGA	
COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1OCc1ccccc1	4209805	MRWSRANWJQRDTP-RDRPBHBLSA-N	516.554	2.835	50	50	KFGA	
COC(=O)CN1C(=O)/C(=N\NC(=O)/C(=C/c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c2ccccc21	100282752	VYQUWECQUUMRNG-PLHZPUSBSA-N	542.548	2.515	50	50	KFGA	
CC(=O)Nc1ccc([C@@H](O)/C(=N\NC(=O)Cc2ccccc2)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1	5317207	RLQJBOLRTXYLSE-SMJPNSPUSA-N	514.498	2.999	50	50	KFGA	
O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1	245311071	MAIRMMVPQMFZTA-IHEMHTGZSA-N	526.225	2.878	50	50	KFGA	
Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccc(OC(=O)c3ccco3)cc2)c1CN1CCCc2ccccc21	102278284	RECMIVYJDQHDBJ-FDVSRXAVSA-N	553.539	2.761	50	50	KFGA	
COC(=O)[C@@H](Cc1nc2ccc(Cl)cc2[nH]c1=O)/C(=N\NC(=O)c1ccncc1)C(=O)Nc1ccccc1OC	5398977	GGLLQGHUUOXORB-BVUYOFLISA-N	562.970	2.737	50	50	KFGA	
O=c1n(C[C@H](Br)CBr)c(=O)n(C[C@H](Br)CBr)c(=O)n1C[C@H](Br)CBr	6858463	NZUPFZNVGSWLQC-IWSPIJDZSA-N	728.694	2.647	50	50	KFGA	in-vitro
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3[C@H]4[C@H]5C=C[C@@H]([C@@H]6C(=O)N(Cc7ccccc7)C(=O)[C@H]65)[C@H]43)n[nH]2)cc1	1875322138	JPNFJGNQDJSYDB-OSSGTBNESA-N	521.577	2.626	50	50	KFGA	
O=C(CNC(=O)c1ccccc1I)N/N=C/c1ccc(OC(=O)c2ccco2)cc1	2553440	UAECTZMNUSHHCX-WYMPLXKRSA-N	517.279	2.984	50	50	KFGA	
COc1cc(OC)c(NS(=O)(=O)c2cccc(C(=O)NNc3nc(C)cc(CO)n3)c2)cc1Cl	1875350831	BKLQBCKYMNHRQP-UHFFFAOYSA-N	507.956	2.506	50	50	KFGA	
CC(C)CCNS(=O)(=O)c1ccc2c(c1)C(=NNC(N)=O)c1cc(S(=O)(=O)NCCC(C)C)ccc1-2	2568741	PQTBHWAIEYCVBG-UHFFFAOYSA-N	535.692	2.737	50	50	KFGA	
CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)N/N=C(\C)c1ccc(OCc2ccccc2F)c(OC)c1	102277444	GOJTXKYUGJWOST-MUFRIFMGSA-N	551.583	2.955	50	50	KFGA	
COc1cc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@H]2C)ccc1OCc1ccccc1	102279024	UHCNKTHZBTZALS-AQCJKUNZSA-N	545.604	2.958	50	50	KFGA	
COc1cc(/C=N/NC(=O)c2c(CN3CCCCC3)nnn2-c2nonc2N)ccc1OCc1ccccc1	102269216	BMKVVMYOZLHGIO-RWPZCVJISA-N	531.577	2.570	50	50	KFGA	
C/C(=C(/C(=O)N(N)c1nc2ccccc2s1)C(=O)C(F)(F)F)N1CCC(C(N)=O)(N2CCCCC2)CC1	59586662	OUDJGFCXDZUDJZ-SDXDJHTJSA-N	538.596	2.714	50	50	KFGA	
O=C(CNC(=O)c1ccccc1I)N/N=C/c1cc(Br)ccc1O	2543887	XLQOCGZKYJTZIB-DNTJNYDQSA-N	502.106	2.639	50	50	KFGA	
COc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	169689987	DFSICQVPFWZDFN-VTAJJLHNSA-N	543.208	2.589	50	50	KFGA	
CC(=O)Nc1ccc([C@H](O)/C(=N\NC(=O)Cc2ccccc2)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1	5317202	RLQJBOLRTXYLSE-MKUZUWBYSA-N	514.498	2.999	50	50	KFGA	
COc1ccc(/C=N/NC(=O)c2c(CN3CCCC3)nnn2-c2nonc2N)cc1COc1ccccc1Cl	102269134	VVZPZDIWTDYKLX-XODNFHPESA-N	551.995	2.833	50	50	KFGA	
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]1CCSS1	169722995	WHTUJGAYCNMFSV-YTTGMZPUSA-N	748.011	2.646	50	50	KFGA	
CCOc1cc(/C=N/NC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)cc(Br)c1O	2520706	ZLSMMAJFBFSIDP-AUEPDCJTSA-N	513.312	2.530	50	50	KFGA	
CC(=O)NNC(=O)[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[C@@H](C)O	150662987	CCYMURFWGARVOR-MOGKGZBDSA-N	709.800	2.864	50	50	KFGA	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C[C@H]3[C@@H]3C(C(=O)N/N=C\c4ccc(Cl)cc4)=NO[C@@H]23)cc1OC	169313585	CAPXRKXPGPCLOF-UZORXUAVSA-N	550.999	2.672	50	50	KFGA	
CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3)C(=O)N[C@H](C)C(=O)O	253487679	NXGNMVVABGFORM-NCXJDWFBSA-N	568.664	2.638	50	50	KFGA	
C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](OC(=O)CBr)CC[C@]34C=O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1	253533745	HQEHABLFHCPQHP-IMENDPQRSA-N	525.436	2.844	50	50	KFGA	
COc1cc(/C(C)=N/NC(=O)c2c(CN3CCOCC3)nnn2-c2nonc2N)ccc1OCc1cccc2ccccc12	102277725	AUKJMNINDRAUMY-BIZUNTBRSA-N	597.636	2.960	50	50	KFGA	
C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](OC(=O)CBr)CC[C@]34C=O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1	253533743	HQEHABLFHCPQHP-GISGOQGQSA-N	525.436	2.844	50	50	KFGA	
O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C/c1ccccc1C(F)(F)F	6023677	PAYLUUNAJBISKI-DHRITJCHSA-N	533.370	2.925	50	50	KFGA	
O=C(N/N=C/c1cc(I)cc(I)c1O)[C@@H]1COc2ccccc2O1	101500523	PIHSJBQINWBMJP-RJZHOQSWSA-N	550.090	2.892	50	50	KFGA	
O=C(NNC(=S)NCCCN1CCOCC1)c1ccc(COc2c(F)c(F)cc(F)c2F)cc1	20613849	BYRDUXQHUQRSSQ-UHFFFAOYSA-N	500.518	2.653	50	50	KFGA	
CSc1ccc(/C=N/NC(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1	34849574	INXSHOVYMCSORB-HYARGMPZSA-N	511.467	2.628	50	50	KFGA	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(OC)c(OC)c3)cc2OC)cc1	43761040	YECIVEZJHZHTEL-WKULSOCRSA-N	521.526	2.820	50	50	KFGA	
O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)OCC(=O)c1ccccc1	195340946	LSXCXWSRXHPUFM-YULKNUEKSA-N	513.182	2.581	50	50	KFGA	
O=C(N/N=C/c1cc(I)cc(I)c1O)[C@H]1COc2ccccc2O1	101500522	PIHSJBQINWBMJP-TZMAJHSYSA-N	550.090	2.892	50	50	KFGA	
CCN(CC)S(=O)(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1	245227171	DUBCNCYBKCNSPB-IKIFYQGPSA-N	534.270	2.999	50	50	KFGA	
COc1cc(C=NNC(=O)[C@H](NC(=O)c2ccccc2)c2nnc(O)c3ccccc23)cc(OC)c1OC	252677956	BNUABCKSURGDIW-HSZRJFAPSA-N	515.526	2.983	50	50	KFGA	
COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]1CCSS1	169723010	VVNHZYDOJLEDPZ-DEOSSOPVSA-N	571.799	2.579	50	50	KFGA	in-vitro
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1	4282772	MOELCHMAFFPARO-AFUMVMLFSA-N	501.948	2.996	50	50	KFGA	
C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@@H]1C)c1cccc(Br)c1	33574711	CKHZHHPBGSKYDL-FBYPQVGPSA-N	502.377	2.523	50	50	KFGA	
Cc1cccc(OCC(=O)N/N=C2/C(=O)N(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c3ccccc32)c1C	263585592	KJQFKBXQMAAVLG-PYABSVCCSA-N	525.609	2.788	50	50	KFGA	biogenic
COc1cc(C(=O)OC[C@H](NC(=O)C(Cl)Cl)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC	33354858	ZYWOLDMXWZUVKM-YOEHRIQHSA-N	517.318	2.800	50	50	KFGA	
CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3)C(=O)N[C@H](CS)C(=O)O	253488073	WOSYRGZUEPPFDW-FJEVYYQSSA-N	600.731	2.548	50	50	KFGA	
COc1cc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	2519886	HFFXSXMZGNRVSS-AFUMVMLFSA-N	501.948	2.996	50	50	KFGA	
Nc1ccc(C(=O)N/N=C\c2cc(/C=N/NC(=O)c3ccc(N)cc3)cc(/C=N/NC(=O)c3ccc(N)cc3)c2)cc1	102310973	PZRNHIJRZQSQMG-BXKVBCOSSA-N	561.606	2.725	50	50	KFGA	
CC(C)(C)[Si](OC1CCN(CCOc2ccc(B(O)O)cc2F)CC1)(c1ccccc1)c1ccccc1	230558095	OHBMQGBHCPCSEF-UHFFFAOYSA-N	521.514	2.925	50	50	KFGA	
CC(C)[C@H](NC(=O)CCCNC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3)C(=O)O	253486940	BGYZZUPIXBTHQV-JXIZHQLZSA-N	568.664	2.640	50	50	KFGA	
O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)OCC(=O)c1ccc(Br)cc1	230011673	XLVPOSFANWBCSX-DJWYYIDESA-N	578.051	2.953	50	50	KFGA	
CCN(CC)c1ccc(C=NNC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)c(O)c1	249826159	NMKHXAIAPOYQHL-VWLOTQADSA-N	539.589	2.577	50	50	KFGA	
CCN(CC)S(=O)(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1	245227170	DUBCNCYBKCNSPB-FFRIZKCHSA-N	534.270	2.999	50	50	KFGA	
O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C/c1ccc(Br)cc1	6101673	PZVGWBWOQNXZGM-LPYMAVHISA-N	544.269	2.668	50	50	KFGA	
C[C@@H]1CCCCN1Cc1c(C(=O)N/N=C\c2cc(Br)c(OC(=O)N3CCOCC3)c(Br)c2)nnn1-c1nonc1N	150641224	XXAZEPOIRKIJPG-OCMVDQITSA-N	696.361	2.727	50	50	KFGA	
N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@]12C(=O)N(Cc1cccc(Br)c1)c1ccccc12	1426723	XIHOXGJJBOCSBA-XMMPIXPASA-N	506.312	2.814	50	50	KFGA	
COc1ccc(Br)c(/C=N/NC(=O)CNC(=O)c2ccccc2I)c1	2544244	IPFKSEAQHDKLMN-ZVBGSRNCSA-N	516.133	2.942	50	50	KFGA	
O=c1n(C[C@@H](Br)CBr)c(=O)n(C[C@@H](Br)CBr)c(=O)n1C[C@@H](Br)CBr	163778072	NZUPFZNVGSWLQC-CIUDSAMLSA-N	728.694	2.647	50	50	KFGA	in-vitro
CCN(CC)S(=O)(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1	245227172	DUBCNCYBKCNSPB-KPLDXPABSA-N	534.270	2.999	50	50	KFGA	
O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1CCSS1	214944407	LHDRNWLHXCGFBV-UFIAYEMCSA-N	959.301	2.841	50	50	KFGA	
O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(C(=O)NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	100437829	SCKQRLTZODEKMF-UHFFFAOYSA-N	526.378	2.833	50	50	KFGA	
O=C(O)c1cc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)ccc1N1CCOCC1	245236030	QBUWWUNLFBZXMM-HZMAYWFUSA-N	528.197	2.504	50	50	KFGA	
COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)cc1Cn1nc([N+](=O)[O-])c(Br)c1C	150365465	MASRJJJHHHVNOD-YPXUMCKCSA-N	667.397	2.804	50	50	KFGA	
COc1cc(/C(C)=N/NC(=O)c2c(CN3CCCC3)nnn2-c2nonc2N)ccc1OCc1ccc(F)cc1	102277572	DSIJKCRKFNCGJG-MUFRIFMGSA-N	549.567	2.709	50	50	KFGA	
COc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2cccc(I)c2)S(C)(=O)=O)cc1	12380315	SFEPFNCIVYRQPQ-HADWXUJASA-N	515.373	2.995	50	50	KFGA	
Cc1cccc(NC(=S)NNC(=O)CSc2nnc(-c3ccn(C)n3)n2C[C@H]2CCCO2)c1C	13959913	TXTINQKGDMPTSQ-MRXNPFEDSA-N	500.654	2.584	50	50	KFGA	
O=C(NNC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(=O)NNC(=O)c2ccccc2)c1)c1ccccc1	59826832	WRNVZYWBGLRTRV-UHFFFAOYSA-N	566.530	2.997	50	50	KFGA	
Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1	4261272	OVUZICKDLXQOQQ-RDRPBHBLSA-N	514.538	2.775	50	50	KFGA	
CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]2(O)CCl	205244554	LPWTVFWINSHGLS-STCFVSJZSA-N	516.971	2.549	50	50	KFGA	biogenic
COc1ccc2c3c4n(c2c1)[C@@H](C=C(C)C)OOC(C)(C)C[C@@H]4N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O	85564414	LRXYHMMJJCTUMY-GWXUGYLUSA-N	511.575	2.855	50	50	KFGA	biogenic,in-vitro
CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1	165342406	HYSPJPGXSALJRR-DHIFEGFHSA-N	737.767	2.808	50	50	KFGA	
N=C1O[C@H](c2cccc([N+](=O)[O-])c2)C(=N\NC(=O)c2ccccc2O)/C1=N/NC(=O)c1ccccc1O	25585593	BPFNFKPXOVYINB-OEIAXNBGSA-N	502.443	2.627	50	50	KFGA	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccncc4)c32)cc([N+](=O)[O-])c1OC(=O)N1CCOCC1	3672399	DKWXRUTYWIXYEP-LJQANCHMSA-N	533.501	2.828	50	50	KFGA	
Cc1ccc(-c2cc(C(=O)NNC(=O)C3[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C(=O)N(Cc7ccccc7)C(=O)[C@H]65)[C@@H]34)n[nH]2)cc1	1875322140	JPNFJGNQDJSYDB-XIZCMSMASA-N	521.577	2.626	50	50	KFGA	
CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3)C(=O)N[C@@H](C)C(=O)O	229671234	NXGNMVVABGFORM-ZLFHFELUSA-N	568.664	2.638	50	50	KFGA	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3[C@@H]4[C@H]5C=C[C@@H]([C@H]6C(=O)N(Cc7ccccc7)C(=O)[C@@H]56)[C@@H]34)n[nH]2)cc1	1875322139	JPNFJGNQDJSYDB-PEGLJNFGSA-N	521.577	2.626	50	50	KFGA	
NC(=O)N/N=C(/c1nc2ccc(Cl)cc2nc1O)[C@H](O)c1ccc([C@H](O)/C(=N/NC(N)=O)c2nc3ccc(Cl)cc3nc2O)cc1	150661944	GBGOOQWPSMYIHA-RREGGUGOSA-N	665.454	2.503	50	50	KFGA	
Cn1ncc2c(O)nc(=NNC(=O)c3cc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)ccc3Cl)[nH]c21	1875351221	OQXCIEQQCZYNRD-UHFFFAOYSA-N	541.899	2.721	50	50	KFGA	
COc1cc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)cc(OC)c1OC	4258611	PQQMCFAVVKTOMP-IPPBACCNSA-N	509.490	2.951	50	50	KFGA	
C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@H]1C)c1cccc(Br)c1	33574710	CKHZHHPBGSKYDL-NEZKYZOSSA-N	502.377	2.523	50	50	KFGA	
Nc1nonc1-n1nnc(CN2CCOCC2)c1C(=O)N/N=C/c1ccccc1OCc1cccc2ccccc12	2242859	DEAFUXHLQLOKJV-OKCVXOCRSA-N	553.583	2.561	50	50	KFGA	
CCOc1c(I)cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)cc1OC	706275	UCUAXILRXGZBFM-SRZZPIQSSA-N	506.304	2.502	50	50	KFGA	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@]21C(=O)N(CC(=O)Nc2ccccc2)c2ccccc21	12428100	VRYKIPFDKNVIHH-GDLZYMKVSA-N	503.518	2.896	50	50	KFGA	
CCOc1cc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc(I)c1O	4633963	DLNHQUKJCFNXKQ-NUGSKGIGSA-N	547.313	2.528	50	50	KFGA	
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	102292298	NUZKEDJFOULASY-WGOQTCKBSA-N	559.490	2.708	50	50	KFGA	
Cc1ccc(S(=O)(=O)NNC(=O)CCCCCCCCC(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1	1534067602	CNCSOOQXSSIHKH-UHFFFAOYSA-N	538.692	2.743	50	50	KFGA	
COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1CCSS1	169723008	VVNHZYDOJLEDPZ-XMMPIXPASA-N	571.799	2.579	50	50	KFGA	in-vitro
O=C(NNc1nc2ccccn2n1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2N2CCOCC2)c1	1875350923	FOOIITCADZFYLB-UHFFFAOYSA-N	527.994	2.777	50	50	KFGA	
C[C@@](Br)(CBr)C(=O)N[C@H](O)C(Br)(Br)Br	101361469	JOUYGNMXBSAMQZ-RFZPGFLSSA-N	525.655	2.808	50	50	KFGA	
C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](OC(=O)CBr)CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1	252678916	HQEHABLFHCPQHP-VXKYXQPUSA-N	525.436	2.844	50	50	KFGA	
CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3)C(=O)N[C@H](CS)C(=O)O	253488074	WOSYRGZUEPPFDW-KDSRWXKGSA-N	600.731	2.548	50	50	KFGA	
CC(=O)NNC(=O)[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[C@H](C)O	150662984	CCYMURFWGARVOR-AFQHYTHHSA-N	709.800	2.864	50	50	KFGA	
COc1cc(/C=N/NC(=O)c2c(CN3CCCCC3)nnn2-c2nonc2N)ccc1OC(=O)C1C2CC3CC(C2)CC1C3	102277784	QUSWAJMVSHFVEB-VWJSQJICSA-N	603.684	2.969	50	50	KFGA	
COc1cc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)ccc1OCc1c(F)cccc1Cl	2542012	OQRZRIXKXOSEHR-YCPBAFNGSA-N	500.878	2.685	50	50	KFGA	
C=CCOc1ccc(Br)c(/C=N/NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c1	4229681	VFQDOCGSHDWQJA-BRJLIKDPSA-N	506.353	2.920	50	50	KFGA	
O=C(N/N=C/c1cc(I)c(O)c(I)c1)[C@H](O)c1ccccc1	100468627	MNVDHJHHYCBTHV-NACCWKTGSA-N	522.080	2.785	50	50	KFGA	
CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1	170009188	CWVNMKRKFJYCCC-QTQZEZTPSA-N	525.755	2.917	50	50	KFGA	in-vitro
CC(C)[C@H](NC(=O)CCCNC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)C(=O)O	253486941	BGYZZUPIXBTHQV-NNVIQLBXSA-N	568.664	2.640	50	50	KFGA	
COc1ccc(CCN2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]5ON=C(C(=O)N/N=C\c6ccc(Cl)cc6)[C@@H]45)[C@H]3C2=O)cc1OC	169313584	CAPXRKXPGPCLOF-NCVKUZMISA-N	550.999	2.672	50	50	KFGA	
C[C@H]1CCCCN1Cc1c(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)nnn1-c1nonc1N	102278489	QHBPZSGAKOWOIV-IJEIBPMHSA-N	583.245	2.601	50	50	KFGA	
C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@H]1C)c1ccc(Br)cc1	25782774	GBTRRHBMPGGGSC-NEZKYZOSSA-N	502.377	2.523	50	50	KFGA	
COc1cc(OC)c([P+](CC(=O)ON2C(=O)CCC2=O)(c2c(OC)cc(OC)cc2OC)c2c(OC)cc(OC)cc2OC)c(OC)c1	72400498	DMXACUAWMCSJFJ-UHFFFAOYSA-N	688.643	2.665	50	50	KFGA	in-vitro
O=C(N/N=C/c1cc(I)c(O)c(I)c1)[C@@H]1COc2ccccc2O1	97960461	ISBQLGWEGRCBIT-RJZHOQSWSA-N	550.090	2.892	50	50	KFGA	
O=c1n(C[C@H](Br)CBr)c(=O)n(C[C@@H](Br)CBr)c(=O)n1C[C@H](Br)CBr	150341408	NZUPFZNVGSWLQC-HLTSFMKQSA-N	728.694	2.647	50	50	KFGA	in-vitro
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1OC	4354138	USPMPZRAFDLFEI-FJEPWZHXSA-N	551.552	2.829	50	50	KFGA	
CCS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)C1	13321148	SHMZMCNIDJZSFT-NQLRXCNRSA-N	510.616	2.988	50	50	KFGA	
COc1ccccc1NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)c2ccc3c(c2)C[C@H](C(=O)O)C3)ccc1Cl	1875351519	ZDGZXLIAFXVPLK-QGZVFWFLSA-N	580.040	2.572	50	50	KFGA	
COc1ccc(CCNC(=S)NNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1OC	59603321	HDPZQJKNBLKGRT-UHFFFAOYSA-N	585.546	2.605	50	50	KFGA	
CCOc1cc(/C=N/NC(=O)c2c(CN3CCCCC3)nnn2-c2nonc2N)ccc1OC(=O)c1cccc(OC)c1	102277772	XDDIHBFYRWCIQX-OKCVXOCRSA-N	589.613	2.609	50	50	KFGA	
COc1cc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)cc(Br)c1OCc1ccccc1C	2542035	XFLQZJWXRYIFRY-KIBLKLHPSA-N	541.366	2.963	50	50	KFGA	
O=C(N/N=C/c1cc(I)c(O)c(I)c1)[C@@H](O)c1ccccc1	100468623	MNVDHJHHYCBTHV-VFJJTOLMSA-N	522.080	2.785	50	50	KFGA	
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)C1CCN(S(C)(=O)=O)CC1	16346118	DPGBNDONXZYZMZ-UHFFFAOYSA-N	510.663	2.581	50	50	KFGA	
COc1ccc(CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H]5ON=C(C(=O)N/N=C\c6ccc(Cl)cc6)[C@@H]45)[C@H]3C2=O)cc1OC	252427692	CAPXRKXPGPCLOF-IQMXALKWSA-N	550.999	2.672	50	50	KFGA	
COc1cc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl	2542740	KSEYGCJJOGZEST-AFUMVMLFSA-N	501.948	2.996	50	50	KFGA	
C[C@@](Br)(CBr)C(=O)N[C@@H](O)C(Br)(Br)Br	101361473	JOUYGNMXBSAMQZ-CRCLSJGQSA-N	525.655	2.808	50	50	KFGA	
O=C(O)c1cc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)ccc1N1CCOCC1	245236032	QBUWWUNLFBZXMM-SPGVSREJSA-N	528.197	2.504	50	50	KFGA	
COc1cccc(COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1	4210145	AYJVZUPTUBRESG-RDRPBHBLSA-N	516.554	2.835	50	50	KFGA	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccncc4)c32)cc([N+](=O)[O-])c1OC(=O)N1CCOCC1	3672400	DKWXRUTYWIXYEP-IBGZPJMESA-N	533.501	2.828	50	50	KFGA	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1	13324065	KSAOJPZRELXLLF-UHFFFAOYSA-N	500.499	2.968	50	50	KFGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNS(=O)(=O)c3ccccc3)cc2OC)cc1	4287376	HBWCKTAWENMBQF-WGOQTCKBSA-N	511.556	2.742	50	50	KFGA	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)CC(=O)N2)cc1S(=O)(=O)N1CCOCC1	8429888	UXDXKJKMRSIMGU-LJQANCHMSA-N	544.630	2.866	50	50	KFGA	
O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1	245311069	MAIRMMVPQMFZTA-FXVDGXSLSA-N	526.225	2.878	50	50	KFGA	
CCOc1cc(/C=N/NC(=O)C(=O)N/N=C/c2cc(I)c(O)c(OCC)c2)cc(I)c1O	97972329	KVRNRJMDGGGLDJ-WDBPGAOMSA-N	666.210	2.705	50	50	KFGA	
O=C(NNC(=S)Nc1ccc2c(c1)OCO2)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1	2851757	LRRKARQIOHWTSB-UHFFFAOYSA-N	509.298	2.555	50	50	KFGA	
COc1cc(C=NNC(=O)CCCCC(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	25692863	UBORDEBYKPOPHE-UHFFFAOYSA-N	530.578	2.899	50	50	KFGA	
CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@]1(O)CCl	1772820268	OEVPPNBQSYOUCV-DQMURXMISA-N	577.067	2.626	50	50	KFGA	
C[C@](Br)(CBr)C(=O)N[C@H](O)C(Br)(Br)Br	101361468	JOUYGNMXBSAMQZ-UHNVWZDZSA-N	525.655	2.808	50	50	KFGA	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3[C@H]4[C@H]5C=C[C@@H]([C@H]6C(=O)N(Cc7ccccc7)C(=O)[C@@H]56)[C@H]43)n[nH]2)cc1	1875322141	JPNFJGNQDJSYDB-YDZVLDEGSA-N	521.577	2.626	50	50	KFGA	
COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1OC	4355183	BDMOXNZRPNSWTC-WKULSOCRSA-N	521.526	2.820	50	50	KFGA	
COc1ccc(CCN2C(=O)[C@H]3[C@H]4C[C@H]([C@@H]5ON=C(C(=O)N/N=C\c6ccc(Cl)cc6)[C@@H]45)[C@H]3C2=O)cc1OC	169313582	CAPXRKXPGPCLOF-WFMZGAAKSA-N	550.999	2.672	50	50	KFGA	
Cc1cccc(NC(=S)NNC(=O)CSc2nnc(-c3ccn(C)n3)n2C[C@@H]2CCCO2)c1C	13959912	TXTINQKGDMPTSQ-INIZCTEOSA-N	500.654	2.584	50	50	KFGA	
O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)OCC(=O)c1ccc(Br)cc1	230011677	XLVPOSFANWBCSX-BXLNKUBBSA-N	578.051	2.953	50	50	KFGA	
C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](OC(=O)CBr)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1	252678915	HQEHABLFHCPQHP-JFSZOEGQSA-N	525.436	2.844	50	50	KFGA	
COc1cc(/C=N/NC(=O)c2c(CN3CCCC3)nnn2-c2nonc2N)ccc1OCc1ccc(F)cc1Cl	6289367	OHUMBUBOZWZQAD-XKJRVUDJSA-N	569.985	2.972	50	50	KFGA	
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1OC	4150610	ZRLLMJPKUCYNKJ-UDWIEESQSA-N	515.482	2.856	50	50	KFGA	
CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3)C(=O)N[C@H](C)C(=O)O	253487680	NXGNMVVABGFORM-XKOSMWIXSA-N	568.664	2.638	50	50	KFGA	
CCc1ccccc1NC(=S)NNC(=O)CSc1nnc(-c2ccn(C)n2)n1C[C@@H]1CCCO1	20613851	ABWGGWZOKXBDLJ-INIZCTEOSA-N	500.654	2.530	50	50	KFGA	
O=C(ON1C(=O)CCC1=O)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)ON3C(=O)CCC3=O)c2)ccc1[N+](=O)[O-]	100055798	WQAKOGSBRWFFLW-UHFFFAOYSA-N	590.504	2.744	50	50	KFGA	in-vitro
COc1ccc(CCN2C(=O)[C@H]3[C@H]4C[C@H]([C@H]3C2=O)[C@H]2ON=C(C(=O)N/N=C\c3ccc(Cl)cc3)[C@@H]42)cc1OC	252427691	CAPXRKXPGPCLOF-CXJWPUJRSA-N	550.999	2.672	50	50	KFGA	
C[C@H]1CCCCN1Cc1c(C(=O)N/N=C\c2cc(Br)c(OC(=O)N3CCOCC3)c(Br)c2)nnn1-c1nonc1N	150641228	XXAZEPOIRKIJPG-XHOTZHSPSA-N	696.361	2.727	50	50	KFGA	
CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl	5179496	BRGPJZPHCVTNNI-VXKWHMMOSA-N	502.011	2.979	50	50	KFGA	in-vitro
Cc1ccc(NC(=S)NNC(=O)CSc2nnc(-c3ccn(C)n3)n2C[C@@H]2CCCO2)c(C)c1	20613916	UYIGXDSRIQPPBB-INIZCTEOSA-N	500.654	2.584	50	50	KFGA	
CCOC(=O)c1sc(NC(=S)NNC(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)c(C(=O)OCC)c1C	16346345	LFNNHYYDDQXQOS-GFCCVEGCSA-N	523.589	2.924	50	50	KFGA	
COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1CSc1ccccn1	4210112	AVECIMNGZBOJDA-STBIYBPSSA-N	533.610	2.944	50	50	KFGA	
CCOc1cc(/C=N/NC(=O)c2c(CN3CCCC3)nnn2-c2nonc2N)ccc1OCc1ccc(C)cc1	102269071	VUBNIHIQOGKCRV-WKULSOCRSA-N	545.604	2.878	50	50	KFGA	
Cc1ccc(NC(=O)/C(=N\NC(=O)C(N)=O)[C@@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1C	71782717	IFLIJRJJDKIWGU-YDIRPZAPSA-N	505.516	2.539	50	50	KFGA	
C[C@@H](c1ccc(B(O)O)cc1)N1CCN(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1	230552523	LXHWJOJGQMIMBE-VWLOTQADSA-N	516.567	2.622	50	50	KFGA	
N=C1O[C@H](c2ccc3c(c2)OCO3)C(=N\NC(=O)c2cccc([N+](=O)[O-])c2)/C1=N/NC(=O)c1cccc([N+](=O)[O-])c1	104161498	WDDKBPGBZKXTJH-PLYANTANSA-N	559.451	2.852	50	50	KFGA	
O=C(COc1ccc(Br)cc1[N+](=O)[O-])N/N=C/C=N/NC(=O)COc1ccc(Br)cc1[N+](=O)[O-]	101708674	PXTPSITZQVIGHT-OXAZHYLESA-N	602.152	2.690	50	50	KFGA	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1	4260106	MXCDFDUQVDIUGP-WKULSOCRSA-N	521.526	2.820	50	50	KFGA	
CCOC(=O)c1sc(NC(=S)NNC(=O)[C@H](C)Oc2ccc3c(c2)OCO3)c(C(=O)OCC)c1C	16346348	LFNNHYYDDQXQOS-LBPRGKRZSA-N	523.589	2.924	50	50	KFGA	
C[C@H](c1ccc(B(O)O)cc1)N1CCN(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1	230552485	LXHWJOJGQMIMBE-RUZDIDTESA-N	516.567	2.622	50	50	KFGA	
O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1CCSS1	257345218	LHDRNWLHXCGFBV-YMBHCLMJSA-N	959.301	2.841	50	50	KFGA	
CCN(CC)c1ccc(C=NNC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)c(O)c1	249826153	NMKHXAIAPOYQHL-RUZDIDTESA-N	539.589	2.577	50	50	KFGA	
CCOc1cc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCc3ccccc32)cc(Br)c1OC(=O)N1CCOCC1	150629826	ALLNJDWRVQTPLY-ZMGVVAQMSA-N	695.535	2.941	50	50	KFGA	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNS(=O)(=O)c3ccc(C)cc3)cc2)cc1OC	2531123	HYTIUVJFJFOXDJ-CVKSISIWSA-N	511.556	2.660	50	50	KFGA	
O=C(COc1ccc(I)cc1)N/N=C/C=N/NC(=O)COc1ccc(I)cc1	100325491	XYCCAYTYLNVTIW-VGENTYGXSA-N	606.158	2.558	50	50	KFGA	
COc1cc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)cc(Br)c1OCc1ccccc1	2542033	URXODGHGKUVULP-YSURURNPSA-N	527.339	2.655	50	50	KFGA	
NS(=O)(=O)c1ccccc1C(=O)N/N=C(/c1nc2ccc(Cl)cc2[nH]c1=O)[C@@H](O)c1ccc(Cl)cc1	5398672	HOOXYNWJKWFTBK-NVRXJJJQSA-N	546.392	2.745	50	50	KFGA	
O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C/c1cccc(Br)c1	6101764	WZJSXCOGJUNTTL-LPYMAVHISA-N	544.269	2.668	50	50	KFGA	
COc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1	169689989	DFSICQVPFWZDFN-YWALVYIISA-N	543.208	2.589	50	50	KFGA	
N=C1O[C@@H](c2cccc([N+](=O)[O-])c2)C(=N\NC(=O)c2ccccc2O)/C1=N/NC(=O)c1ccccc1O	25585599	BPFNFKPXOVYINB-AYQXZEDVSA-N	502.443	2.627	50	50	KFGA	
NS(=O)(=O)c1ccccc1C(=O)N/N=C(/c1nc2ccc(Cl)cc2[nH]c1=O)[C@H](O)c1ccc(Cl)cc1	5398670	HOOXYNWJKWFTBK-XCTRCNQVSA-N	546.392	2.745	50	50	KFGA	
COc1ccc(/C=C\C(=O)NCC(=O)NN=C2C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1	252679274	KDVDRFWWIVKBAT-ZXVNZKAESA-N	512.522	2.621	50	50	KFGA	
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)Oc1ccc([N+](=O)[O-])cc1	214945053	GDUPXTTZWLGHDK-UHFFFAOYSA-N	663.714	2.975	50	50	KFGA	
C[C@](Br)(CBr)C(=O)N[C@@H](O)C(Br)(Br)Br	101361472	JOUYGNMXBSAMQZ-WHFBIAKZSA-N	525.655	2.808	50	50	KFGA	
Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1cc(Br)ccc1OCc1cccc(F)c1	2541995	FCKCGVATACLHKR-PGGKNCGUSA-N	515.303	2.785	50	50	KFGA	
COc1cc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)NN=c3ccc(C#N)c[nH]3)c2)cc1Cl	1875350803	AULUKVYTWVURST-UHFFFAOYSA-N	501.952	2.912	50	50	KFGA	
CC(C)(C)OC(=O)N(CCBr)S(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1	14007291	SZYUVMBYYLCPKK-UHFFFAOYSA-N	506.419	2.818	50	50	KFGA	
COc1ccc(N(CC(=O)NN=Cc2ccccc2C(=O)O)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	254740666	FRXGSGTWEFZZFE-UHFFFAOYSA-N	526.527	2.956	50	50	KFGA	
COc1cc(C(=O)OC[C@H](NC(=O)C(Cl)Cl)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC	33354863	ZYWOLDMXWZUVKM-WMLDXEAASA-N	517.318	2.800	50	50	KFGA	
COc1cccc(/C=N/NC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)c1OC(=O)c1ccccc1	2242787	OJUNFLUWVQKVNK-RWPZCVJISA-N	524.497	2.891	50	50	KFGA	
CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3)C(=O)N[C@@H](C)C(=O)O	229671225	NXGNMVVABGFORM-KJBUHPFESA-N	568.664	2.638	50	50	KFGA	
COc1cc(OCc2ccccc2)cc(Br)c1/C=N/NC(=O)c1c(CN2CCCC2)nnn1-c1nonc1N	102269147	UFLVSLNOOXUXIZ-XODNFHPESA-N	596.446	2.942	50	50	KFGA	
COc1cc(C(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC	33354856	ZYWOLDMXWZUVKM-PBHICJAKSA-N	517.318	2.800	50	50	KFGA	
CCOC(=O)CN1C(=O)C(=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21	254903612	JIJKLQQMEJRWRH-FKTHPJHHSA-N	540.532	2.616	50	50	KFGA	
O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1cc(I)cc(I)c1O	33358661	CTNSPJSYKWQDLD-FSJBWODESA-N	604.230	2.869	50	50	KFGA	
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1CCSS1	230290553	LHDRNWLHXCGFBV-IZYACQOUSA-N	959.301	2.841	50	50	KFGA	
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1CCSS1	169722993	WHTUJGAYCNMFSV-JGCGQSQUSA-N	748.011	2.646	50	50	KFGA	
CCOC(=O)CN1C(=O)C(=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c2ccccc21	245253581	IIKJJPPZRMJVDV-GHHZBDGWSA-N	539.592	2.954	50	50	KFGA	
COc1ccc(C=CC(=O)NCC(=O)NN=C2C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1	2049286263	KDVDRFWWIVKBAT-UHFFFAOYSA-N	512.522	2.621	50	50	KFGA	
COc1ccc(CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@@H]5ON=C(C(=O)N/N=C\c6ccc(Cl)cc6)[C@H]54)[C@H]3C2=O)cc1OC	252427693	CAPXRKXPGPCLOF-OYPXSJCCSA-N	550.999	2.672	50	50	KFGA	
O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1	4261271	HWRLXMAUOAMHBQ-WGOQTCKBSA-N	506.540	2.529	50	50	KFGA	
COc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1ccccc1I	2544509	IHBPUPKBHNVVEG-ZVBGSRNCSA-N	516.133	2.942	50	50	KFGA	
O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	104661442	RBFZNFCIARIOPA-UHFFFAOYSA-N	526.378	2.833	50	50	KFGA	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)CC(=O)N2)cc1S(=O)(=O)N1CCOCC1	8429887	UXDXKJKMRSIMGU-IBGZPJMESA-N	544.630	2.866	50	50	KFGA	
COc1cc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)cc(Br)c1OCc1ccccc1F	2542031	BUZGTONQBZKFDS-YCPBAFNGSA-N	545.329	2.794	50	50	KFGA	
COc1ccccc1NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)c2ccc3c(c2)C[C@@H](C(=O)O)C3)ccc1Cl	1875351518	ZDGZXLIAFXVPLK-KRWDZBQOSA-N	580.040	2.572	50	50	KFGA	
CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3)C(=O)N[C@@H](CS)C(=O)O	229657481	WOSYRGZUEPPFDW-WFFYYDTQSA-N	600.731	2.548	50	50	KFGA	
COC(=O)[C@H](Cc1nc2ccc(Cl)cc2[nH]c1=O)/C(=N\NC(=O)c1ccncc1)C(=O)Nc1ccccc1OC	5398974	GGLLQGHUUOXORB-ZZBAYNBJSA-N	562.970	2.737	50	50	KFGA	
Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	2242790	XYKDXZAMMZUEBI-GZIVZEMBSA-N	548.155	2.894	50	50	KFGA	
C[C@@H]1CCCCN1Cc1c(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)nnn1-c1nonc1N	102278485	QHBPZSGAKOWOIV-VLJXCZBWSA-N	583.245	2.601	50	50	KFGA	
COc1ccc(CCN2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H]3C2=O)[C@@H]2C(C(=O)N/N=C\c3ccc(Cl)cc3)=NO[C@@H]42)cc1OC	169313583	CAPXRKXPGPCLOF-TZWJLSDVSA-N	550.999	2.672	50	50	KFGA	
C/C(=N\NC(=O)c1c(CN2CCOCC2)nnn1-c1nonc1N)c1ccc(OCc2cccc3ccccc23)cc1	102277660	LJNNCHJTLHMBDA-ZCTHSVRISA-N	567.610	2.951	50	50	KFGA	
O=C(N/N=C/c1cc(I)c(O)c(I)c1)[C@H]1COc2ccccc2O1	97960460	ISBQLGWEGRCBIT-TZMAJHSYSA-N	550.090	2.892	50	50	KFGA	
CC1=CC(=O)/C(=C(/C)NNC(=O)CN2C(=O)CN=C(c3ccccc3)c3cc(Br)ccc32)C(=O)O1	227173210	VBLYZLCQDSZFJI-HZHRSRAPSA-N	537.370	2.558	50	50	KFGA	
COc1ccc(/C=C/C(=O)NCC(=O)NN=C2C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1	252679273	KDVDRFWWIVKBAT-XZCOEPFJSA-N	512.522	2.621	50	50	KFGA	
CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1	4282318	OOTKZPJUYASKAS-JFLMPSFJSA-N	504.499	2.890	50	50	KFGA	
CCOc1cc(/C(C)=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCc3ccccc32)ccc1OC	102278559	HXAPMDJMKKRZDM-NTFVMDSBSA-N	531.577	2.747	50	50	KFGA	
COc1cc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)ccc1OCc1ccccc1	102279020	UHCNKTHZBTZALS-ALMWKJIMSA-N	545.604	2.958	50	50	KFGA	
COc1cc(C(=O)NCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc(OC)c1OC	1952535	RIXPWCBRWAJBJA-LIMNOBDPSA-N	545.184	2.823	50	50	KFGA	
COc1cc(/C=N/NC(=O)c2c(CN3CCCC3)nnn2-c2nonc2N)ccc1OC(=O)C1C2CC3CC(C2)CC1C3	102277560	CDLKUHFFVFXHNT-XAZZYMPDSA-N	589.657	2.579	50	50	KFGA	
COc1cccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)c1OC(=O)c1ccccc1	102278818	ZJZFPVTZPYJKRS-LAWDAALWSA-N	559.587	2.599	50	50	KFGA	
C=CCOc1ccc(Br)c(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1	4210393	LSTFXESIAFXNQD-MFKUBSTISA-N	515.364	2.575	50	50	KFGA	
N=C1O[C@@H](c2ccc3c(c2)OCO3)C(=N\NC(=O)c2cccc([N+](=O)[O-])c2)/C1=N/NC(=O)c1cccc([N+](=O)[O-])c1	104161493	WDDKBPGBZKXTJH-CWUFGWLQSA-N	559.451	2.852	50	50	KFGA	
CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(C=O)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(=O)CCC	60292421	BSSVCYJMQUYSRI-YVQNUNKESA-N	502.604	2.839	50	50	KFGA	
C/C(=N\OCC(=O)NN=C1C(=O)N(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc21)c1cccs1	263585683	LHUOSFJZHJWCKS-BMNPMBNJSA-N	544.637	2.594	50	50	KFGA	biogenic
COc1ccc(CCNC(=S)NNC(=O)c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)cc1OC	59603352	PSPHBXSODHBVKL-UHFFFAOYSA-N	553.395	2.564	50	50	KFGA	
COc1cc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)ccc1OCc1ccc(F)cc1Cl	2542014	VLPILQBLLNWCKZ-YCPBAFNGSA-N	500.878	2.685	50	50	KFGA	
O=C(N/N=C/c1cc(I)cc(I)c1O)[C@H](O)c1ccccc1	59826765	MOVBVOPDFKGOTN-GHIJENOOSA-N	522.080	2.785	50	50	KFGA	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccccc1Br	100226052	YKROSJXFBIIPOI-MFKUBSTISA-N	551.463	2.757	50	50	KFGA	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)Cc2ccccc2)cc1OC	2824727	CZPDPFMZJLIYKR-MFKUBSTISA-N	512.544	2.953	50	50	KFGA	
COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1	4360162	KMQFJBVUJYSAON-WKULSOCRSA-N	521.526	2.820	50	50	KFGA	
CC(C)[C@H](NC(=O)CCCNC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3)C(=O)O	253486942	BGYZZUPIXBTHQV-ZKVQIAEBSA-N	568.664	2.640	50	50	KFGA	
COc1ccc(Br)cc1/C=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	6088368	GFNKZZKATZKEIM-YDZHTSKRSA-N	574.295	2.677	50	50	KFGA	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2cc(C)cc(C)c2)cc1OC	1192101	VVFPERKXQQTNBI-UHFFFAOYSA-N	522.583	2.989	50	50	KFGA	
Nc1nonc1-n1nnc(CN2CCCCC2)c1C(=O)N/N=C/c1ccc(Br)cc1OC(=O)c1ccccc1	2242876	DMECFCLWVREWII-CCVNUDIWSA-N	594.430	2.964	50	50	KFGA	
C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@@H]1C)c1ccc(Br)cc1	25782776	GBTRRHBMPGGGSC-FBYPQVGPSA-N	502.377	2.523	50	50	KFGA	
O=C(N/N=C/c1cc(I)cc(I)c1O)[C@@H](O)c1ccccc1	59826757	MOVBVOPDFKGOTN-PVJNQWLSSA-N	522.080	2.785	50	50	KFGA	
O=C(NNC(=S)NCCCN1CCOCC1)c1cccc(COc2ccc(Br)cc2)c1	13959895	RUVRAXIUBUFRTK-UHFFFAOYSA-N	507.454	2.859	50	50	KFGA	
COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1	13155042	BNBBFTGNLHTAEL-WGOQTCKBSA-N	511.556	2.593	50	50	KFGA	
CCS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)C1	13321146	SHMZMCNIDJZSFT-VJWWNUEDSA-N	510.616	2.988	50	50	KFGA	
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1CCSS1	257345217	LHDRNWLHXCGFBV-GTDMGVRMSA-N	959.301	2.841	50	50	KFGA	
COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	3058214	IHBIMEMNOJDIJW-OVVQPSECSA-N	509.584	2.850	50	50	KFGA	
Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1	2520723	YKCDCGHNSNXQGJ-MZJWZYIUSA-N	539.468	2.791	50	50	KFGA	
O=C(N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1	8455936	SHDDVEOXKLYXSI-IPKBDRFQSA-N	507.213	2.596	50	50	KFGA	
COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1OC	2969728	TZZHTNLTUVYDIQ-SRZZPIQSSA-N	514.354	2.519	50	50	KFGA	
CCOc1cc(/C=N/NC(=O)c2c(CN3CCCC3)nnn2-c2nonc2N)ccc1OCc1cccc(F)c1	102269065	HHIFFVIYBGEXRB-IPPBACCNSA-N	549.567	2.709	50	50	KFGA	
COc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2cccc(I)c2)S(C)(=O)=O)cc1	12380316	SFEPFNCIVYRQPQ-CNRHGSOZSA-N	515.373	2.995	50	50	KFGA	
CCOC(=O)c1c(NC(=S)NNC(=O)C2CCN(S(C)(=O)=O)CC2)sc(C)c1-c1ccccc1	13323904	NDQMQSAGZNPPBU-UHFFFAOYSA-N	524.690	2.889	50	50	KFGA	
COc1cccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@H]2C)c1OC(=O)c1ccccc1	102278825	ZJZFPVTZPYJKRS-AZGMEOBCSA-N	559.587	2.599	50	50	KFGA	
N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@]12C(=O)N(Cc1cccc(Br)c1)c1ccccc12	1426722	XIHOXGJJBOCSBA-DEOSSOPVSA-N	506.312	2.814	50	50	KFGA	
COc1ccc(/C=N/NC(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1Br	6023865	JABPELBMRPWOSA-YDZHTSKRSA-N	574.295	2.677	50	50	KFGA	
CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(=O)C1CCN(S(C)(=O)=O)CC1	13323900	SYLRTCOOOQDCLS-UHFFFAOYSA-N	524.690	2.505	50	50	KFGA	
O=C(CCCC[C@H]1CCSS1)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12	390835883	LHDRNWLHXCGFBV-XVDINJISSA-N	959.301	2.841	50	50	KFGA	
CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3)C(=O)N[C@@H](CS)C(=O)O	229657469	WOSYRGZUEPPFDW-LCOWBQHRSA-N	600.731	2.548	50	50	KFGA	
CCc1ccccc1NC(=S)NNC(=O)CSc1nnc(-c2ccn(C)n2)n1C[C@H]1CCCO1	20613852	ABWGGWZOKXBDLJ-MRXNPFEDSA-N	500.654	2.530	50	50	KFGA	
O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C/c1ccc(Br)s1	38154727	LVNRUHHUZSYXMP-RGVLZGJSSA-N	550.298	2.730	50	50	KFGA	
CCCOc1ccc(/C=N/NC(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1	13598884	CZCNKYFGTIVGIU-LFVJCYFKSA-N	523.453	2.695	50	50	KFGA	
O=c1n(C[C@H](Br)CBr)c(=O)n(C[C@@H](Br)CBr)c(=O)n1C[C@@H](Br)CBr	150341410	NZUPFZNVGSWLQC-XHNCKOQMSA-N	728.694	2.647	50	50	KFGA	in-vitro