smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@H](c2cc(OC)c(OC)cc2OC)CC(=O)O4)cc1O	217664423	LHIDUTOWRRLPAK-HNNXBMFYSA-N	520.490	4.347	70	50	KIIA	biogenic
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](c2cc(OC)c3c(c2)OCCO3)CC(=O)O4)cc1O	217870333	LWJOZMJLXTZJHH-OAHLLOKOSA-N	518.474	4.101	70	50	KIIA	biogenic
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2ccc(O)c(Cl)c2)o1	217780645	PPXMDHYNVZURIN-LJQANCHMSA-N	508.958	4.439	70	50	KIIA	biogenic
NC(=O)[C@H](NC(=O)c1ccccc1)C(c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1	100855383	YMEMAEBWJOHBNZ-WJOKGBTCSA-N	528.592	4.485	70	50	KIIA	
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2ccc(O)c(Cl)c2)o1	217780738	PPXMDHYNVZURIN-IBGZPJMESA-N	508.958	4.439	70	50	KIIA	biogenic
COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[nH][nH]c1=O	217921203	RTLMVTFURXYLMX-LJQANCHMSA-N	510.587	4.118	70	50	KIIA	biogenic
O=C(CCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F	100008546	DPFPFPKSMPNASW-UHFFFAOYSA-N	538.290	4.402	70	50	KIIA	in-vitro
COC(=O)C[C@@H](c1cccc(Oc2ncccn2)c1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	217738852	PWPDAUVMOJEADU-QHCPKHFHSA-N	501.539	4.088	70	50	KIIA	biogenic
COc1ccc([C@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2oc(C)cc(=O)c2O)c(OC)c1OC	217801534	VQFYOBGMGPCUGW-FQEVSTJZSA-N	518.566	4.268	70	50	KIIA	biogenic
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3ccc4c(ccn4C)c3)c(=O)cc1[C@@H](NC(C)=O)CC2	217966492	YGWKDMBZSZQCSF-DEOSSOPVSA-N	570.646	4.405	70	50	KIIA	biogenic
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3nc4c(s3)CCC4)c(=O)cc1[C@@H](NC(C)=O)CC2	217936623	BWLXCNYANJTCOS-YWZLYKJASA-N	578.691	4.247	70	50	KIIA	biogenic
COc1ccccc1-c1nc(NC(=O)CCCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)n[nH]1	217872538	MLKHKBNGQIHONC-DEOSSOPVSA-N	642.713	4.488	70	50	KIIA	biogenic
Fc1c(F)c(F)c([SiH](c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F	169816744	CXQSNYGTSYPIOO-UHFFFAOYSA-N	530.262	4.022	70	50	KIIA	
COc1cc([C@@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2oc(C)cc(=O)c2O)cc(OC)c1OC	217650400	ZZEXBWZUXOTXBQ-HXUWFJFHSA-N	518.566	4.268	70	50	KIIA	biogenic
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCc3cccn3C)c(=O)cc1[C@@H](NC(C)=O)CC2	217904437	WJVUHKDHJQCJTH-SANMLTNESA-N	590.721	4.490	70	50	KIIA	biogenic
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@H](c2cc(OC)c(O)c(OC)c2)CC(=O)O4)cc1O	217901495	DYYZVWIKXHGLBU-AWEZNQCLSA-N	506.463	4.044	70	50	KIIA	biogenic
NC(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Oc1c(F)c(F)c(F)c(F)c1F	71788104	FVJZFMYVWWIIGD-QGZVFWFLSA-N	534.437	4.460	70	50	KIIA	in-vitro
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2ccc(OC)c(OC)c2OC)o1	217643970	JJVMOJIQJMHZTM-OAQYLSRUSA-N	548.592	4.106	70	50	KIIA	biogenic
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)O[C@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@H]12	60290298	RFSVJVARGBBXNB-NKKCXFSRSA-N	538.580	4.078	70	50	KIIA	
COc1ccc2[nH]c(=O)c([C@H](CC(=O)N3CCc4c([nH]c5ccccc45)C3)c3oc(C)cc(=O)c3O)cc2c1	217908758	XUAODPBCIRIBOC-NRFANRHFSA-N	525.561	4.092	70	50	KIIA	biogenic
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2ccc(OC)cc2OC)o1	217782704	YVUJBEUIRGJNKF-JOCHJYFZSA-N	518.566	4.097	70	50	KIIA	biogenic
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3ccc4ccn(C)c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2	218077245	OVQMWIRBBMIAIY-DEOSSOPVSA-N	570.646	4.405	70	50	KIIA	biogenic
COC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[nH][nH]c1=O	217790782	PRVIRWMDBDYODR-IBGZPJMESA-N	510.587	4.118	70	50	KIIA	biogenic
COC(=O)C[C@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[nH][nH]c1=O)c1coc2ccc(OC)cc2c1=O	217794903	YDNHBHOSSHAIQE-IBGZPJMESA-N	518.566	4.207	70	50	KIIA	biogenic
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2cc(F)c(F)c(F)c2)o1	218237556	CUCPUQPFVKZNFV-GOSISDBHSA-N	512.484	4.497	70	50	KIIA	biogenic
C#Cc1cc(CN2CCN(C(=O)c3ccc4c(c3)ncn4Cc3ccccc3OC)[C@H](C)C2)cc(S(=O)(=O)F)c1	1875303476	ADWDKRWBNOJKEH-OAQYLSRUSA-N	560.651	4.079	70	50	KIIA	
COc1ccc2cc([C@H](CC(=O)N3CCc4c([nH]c5ccccc45)C3)c3oc(C)cc(=O)c3O)c(=O)[nH]c2c1	217767692	BCPLHVSOOLDBIY-NRFANRHFSA-N	525.561	4.092	70	50	KIIA	biogenic
COc1ccc2[nH]c(=O)c([C@@H](CC(=O)N3CCc4c([nH]c5ccccc45)C3)c3oc(C)cc(=O)c3O)cc2c1	217908847	XUAODPBCIRIBOC-OAQYLSRUSA-N	525.561	4.092	70	50	KIIA	biogenic
COc1ccc2occ([C@H]3CC(=O)Oc4cc(O)c5c(=O)cc(-c6ccc(OC)c(O)c6)oc5c43)c(=O)c2c1	217748160	GQVOMSIBGDMIRI-OAHLLOKOSA-N	528.469	4.436	70	50	KIIA	biogenic
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@H](c2cc(OC)c3c(c2)OCO3)CC(=O)O4)cc1O	217663900	UKTRGKIOKNNHBK-AWEZNQCLSA-N	504.447	4.058	70	50	KIIA	biogenic
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3ccc(Cn4cncn4)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2	217684596	BCFOYBAUFXDFSJ-MHZLTWQESA-N	626.714	4.334	70	50	KIIA	biogenic
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2cc(OC)c(OC)c(OC)c2)o1	217807866	TYVWZSBJSQQLBE-OAQYLSRUSA-N	548.592	4.106	70	50	KIIA	biogenic
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3c(C)nn(C(C)C)c3C)c(=O)cc1[C@@H](NC(C)=O)CC2	218055963	ZMHFDABCRSZVDE-QHCPKHFHSA-N	577.682	4.308	70	50	KIIA	biogenic
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2cc(F)c(F)c(F)c2)o1	218237625	CUCPUQPFVKZNFV-SFHVURJKSA-N	512.484	4.497	70	50	KIIA	biogenic
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](c2cc(OC)c(O)c(OC)c2)CC(=O)O4)cc1O	217901423	DYYZVWIKXHGLBU-CQSZACIVSA-N	506.463	4.044	70	50	KIIA	biogenic
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2cc(OC)c(OC)cc2OC)o1	217608456	YTXDTWHEFGHWKA-OAQYLSRUSA-N	548.592	4.106	70	50	KIIA	biogenic
COc1ccc2cc([C@H]3CC(=O)Oc4cc(O)c5c(=O)cc(-c6ccc(OC)c(O)c6)oc5c43)c(=O)[nH]c2c1	217870737	MEEAPHRZRAIIHW-MRXNPFEDSA-N	527.485	4.171	70	50	KIIA	biogenic
O=S(=O)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)I	100045825	LEWYCBRUDUVOLG-UHFFFAOYSA-N	526.008	4.379	70	50	KIIA	
Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1cc(Br)cc3c1OCOC3)CC(=O)O2	218084508	KBMOUMVVDXEABW-LJQANCHMSA-N	512.356	4.175	70	50	KIIA	biogenic
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2ccc(OC)c(OC)c2)o1	217754911	XKIXVUSHTDRPRZ-NRFANRHFSA-N	518.566	4.097	70	50	KIIA	biogenic
COc1ccc([C@@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2oc(C)cc(=O)c2O)c(OC)c1OC	217801610	VQFYOBGMGPCUGW-HXUWFJFHSA-N	518.566	4.268	70	50	KIIA	biogenic
COC(=O)C[C@@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[nH][nH]c1=O)c1coc2ccc(OC)cc2c1=O	217795009	YDNHBHOSSHAIQE-LJQANCHMSA-N	518.566	4.207	70	50	KIIA	biogenic
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2coc3ccc(OC)cc3c2=O)o1	217622279	OEMYUPVPWHJEEC-OAQYLSRUSA-N	556.571	4.195	70	50	KIIA	biogenic
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)N3CCN(CCc4ccccn4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2	217710013	ADWAGUIJLQESFZ-CDZUIXILSA-N	671.839	4.472	70	50	KIIA	biogenic
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2coc3ccc(OC)cc3c2=O)o1	217622366	OEMYUPVPWHJEEC-NRFANRHFSA-N	556.571	4.195	70	50	KIIA	biogenic
COC(=O)C[C@@H](c1ccccc1OCc1ccccn1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	217729263	NIDLBBUBORIWPS-VWLOTQADSA-N	514.578	4.480	70	50	KIIA	biogenic
COc1cc(OC)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2oc(C)cc(=O)c2O)cc1OC	217720236	SIEUXLWQHQIHDT-HXUWFJFHSA-N	518.566	4.268	70	50	KIIA	biogenic
COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[nH][nH]c1=O	217921297	RTLMVTFURXYLMX-IBGZPJMESA-N	510.587	4.118	70	50	KIIA	biogenic
CCOC(=O)c1c(OS(=O)(=O)C(F)(F)F)c(-c2cccc(Cl)c2)nn1CCNC(=O)OC(C)(C)C	261508404	SBHAIQSKMORNPC-UHFFFAOYSA-N	541.932	4.133	70	50	KIIA	
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2coc3ccccc3c2=O)o1	217926488	BXZJBFDPFJWOJT-OAQYLSRUSA-N	526.545	4.186	70	50	KIIA	biogenic
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3cccc(-c4nc[nH]n4)c3)c(=O)cc1[C@@H](NC(C)=O)CC2	217705714	UWQXCTYFUIYTGW-XDHUDOTRSA-N	598.660	4.087	70	50	KIIA	biogenic
COc1ccc2cc([C@@H](CC(=O)N3CCc4c([nH]c5ccccc45)C3)c3oc(C)cc(=O)c3O)c(=O)[nH]c2c1	217767765	BCPLHVSOOLDBIY-OAQYLSRUSA-N	525.561	4.092	70	50	KIIA	biogenic
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2ccc(OC)c(OC)c2)o1	217754826	XKIXVUSHTDRPRZ-OAQYLSRUSA-N	518.566	4.097	70	50	KIIA	biogenic
O=S(=O)(F)c1cccc(S(=O)(=O)N(Cc2ccnc(Cl)c2)c2ccc3ccnc(O)c3c2)c1	1776006616	YHIMMCPPXRNNBQ-UHFFFAOYSA-N	507.952	4.043	70	50	KIIA	
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](c2cc(OC)c3c(c2)OCO3)CC(=O)O4)cc1O	217663823	UKTRGKIOKNNHBK-CQSZACIVSA-N	504.447	4.058	70	50	KIIA	biogenic
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2cccc3nccnc23)o1	217707163	ZDLMNFLYYRIBTH-OAQYLSRUSA-N	510.550	4.023	70	50	KIIA	biogenic
O=C(CCOCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F	150338873	PVXXABBOISIWMS-UHFFFAOYSA-N	670.449	4.452	70	50	KIIA	in-vitro
O=C(CCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F	150338824	RCCGHSXHOCFIBV-UHFFFAOYSA-N	626.396	4.435	70	50	KIIA	in-vitro
O=C(CCOCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F	100008550	GLOSJLVATRMZRS-UHFFFAOYSA-N	582.343	4.419	70	50	KIIA	
Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1cc(Br)cc3c1OCOC3)CC(=O)O2	218084425	KBMOUMVVDXEABW-IBGZPJMESA-N	512.356	4.175	70	50	KIIA	biogenic
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2ccc(OC)c(OC)c2OC)o1	217644038	JJVMOJIQJMHZTM-NRFANRHFSA-N	548.592	4.106	70	50	KIIA	biogenic
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)N3CCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2	217756427	OBBQZWKUTRPEEA-ZCYQVOJMSA-N	551.684	4.312	70	50	KIIA	biogenic
COc1ccc2occ([C@H](CC(=O)N3CCc4c([nH]c5ccccc45)C3)c3oc(C)cc(=O)c3O)c(=O)c2c1	217879784	HMYQIMFUZUYORL-FQEVSTJZSA-N	526.545	4.357	70	50	KIIA	biogenic
O=C(N[C@@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)C(=O)OCc1ccccc1)OCc1ccccc1	100013760	CVDJKKOIYOSXFZ-QFIPXVFZSA-N	537.512	4.496	70	50	KIIA	in-vitro
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](c2cc(OC)c(OC)cc2OC)CC(=O)O4)cc1O	217664509	LHIDUTOWRRLPAK-OAHLLOKOSA-N	520.490	4.347	70	50	KIIA	biogenic
CCCCN1C(=O)[C@@H]2[C@H](CCSC)N[C@]3(C(=O)N(Cc4ccccc4Cl)c4ccccc43)[C@@H]2C1=O	217595918	IAIXAIAYQAHPPU-XUTUTRJZSA-N	512.075	4.208	70	50	KIIA	
COc1cc([C@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2oc(C)cc(=O)c2O)cc(OC)c1OC	217650311	ZZEXBWZUXOTXBQ-FQEVSTJZSA-N	518.566	4.268	70	50	KIIA	biogenic
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2ccc(OC)cc2OC)o1	217782770	YVUJBEUIRGJNKF-QFIPXVFZSA-N	518.566	4.097	70	50	KIIA	biogenic
COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[nH][nH]c1=O	217790690	PRVIRWMDBDYODR-LJQANCHMSA-N	510.587	4.118	70	50	KIIA	biogenic
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2cc(OC)c(OC)c(OC)c2)o1	217807920	TYVWZSBJSQQLBE-NRFANRHFSA-N	548.592	4.106	70	50	KIIA	biogenic
COc1ccc2occ([C@@H]3CC(=O)Oc4cc(O)c5c(=O)cc(-c6ccc(OC)c(O)c6)oc5c43)c(=O)c2c1	217748084	GQVOMSIBGDMIRI-HNNXBMFYSA-N	528.469	4.436	70	50	KIIA	biogenic
COC(=O)C[C@H](c1ccccc1OCc1ccccn1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	217729176	NIDLBBUBORIWPS-RUZDIDTESA-N	514.578	4.480	70	50	KIIA	biogenic
NC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Oc1c(F)c(F)c(F)c(F)c1F	71788064	FESVUEALWMQZEP-INIZCTEOSA-N	520.410	4.070	70	50	KIIA	in-vitro
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@H](c2cc(OC)c3c(c2)OCCO3)CC(=O)O4)cc1O	217870423	LWJOZMJLXTZJHH-HNNXBMFYSA-N	518.474	4.101	70	50	KIIA	biogenic
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](c2ccc(OC)c(OC)c2OC)CC(=O)O4)cc1O	217733086	ZUEAMAAMIQHJKN-OAHLLOKOSA-N	520.490	4.347	70	50	KIIA	biogenic
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3ccn(C)n3)c(=O)cc1[C@@H](NC(C)=O)CC2	217694166	FGWVPXMENMQARD-QHCPKHFHSA-N	577.682	4.208	70	50	KIIA	biogenic
COc1cc(OC)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2oc(C)cc(=O)c2O)cc1OC	217720163	SIEUXLWQHQIHDT-FQEVSTJZSA-N	518.566	4.268	70	50	KIIA	biogenic
COC(=O)C[C@H](c1cccc(Oc2ncccn2)c1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	217738773	PWPDAUVMOJEADU-HSZRJFAPSA-N	501.539	4.088	70	50	KIIA	biogenic
COc1ccc2cc([C@@H]3CC(=O)Oc4cc(O)c5c(=O)cc(-c6ccc(OC)c(O)c6)oc5c43)c(=O)[nH]c2c1	217870648	MEEAPHRZRAIIHW-INIZCTEOSA-N	527.485	4.171	70	50	KIIA	biogenic
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3ccccn3)c(=O)cc1[C@@H](NC(C)=O)CC2	217782587	DXKNAVQPHKLHRG-QFIPXVFZSA-N	546.624	4.089	70	50	KIIA	biogenic
COc1ccc2occ([C@@H](CC(=O)N3CCc4c([nH]c5ccccc45)C3)c3oc(C)cc(=O)c3O)c(=O)c2c1	217879859	HMYQIMFUZUYORL-HXUWFJFHSA-N	526.545	4.357	70	50	KIIA	biogenic
COC(=O)CSC1=NC(c2ccccc2)=NC(=O)C1=P(c1ccccc1)(c1ccccc1)c1ccccc1	195529391	GBQJQMVWRBFZEI-UHFFFAOYSA-N	536.593	4.445	70	50	KIIA	
COc1ccc(CN(c2ccc3ccnc(O)c3c2)S(=O)(=O)c2cccc(S(=O)(=O)F)c2)s1	1772770251	NKMBKRDOWXQVED-UHFFFAOYSA-N	508.574	4.064	70	50	KIIA	
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](c2cc(OC)c(OC)c(OC)c2)CC(=O)O4)cc1O	217919755	PWAKJZWIXFQUDF-OAHLLOKOSA-N	520.490	4.347	70	50	KIIA	biogenic
CCOC(=O)c1c(OS(=O)(=O)C(F)(F)F)c(-c2ccc(F)cc2Cl)nn1CCNC(=O)OC(C)(C)C	261508429	SIJWWVXSGLVXHN-UHFFFAOYSA-N	559.922	4.272	70	50	KIIA	
CCOC(=O)/C(=N\Nc1ccc(OC)cc1)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1	100298889	RYVBOCDXYXTWCG-MEIHLTSWSA-N	524.557	4.392	70	50	KIIA	
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)Nc3ccc(C(N)=O)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2	217849786	WLFJCUDYIKHGJQ-BDYUSTAISA-N	616.715	4.427	70	50	KIIA	biogenic
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2cccc3nccnc23)o1	217707239	ZDLMNFLYYRIBTH-NRFANRHFSA-N	510.550	4.023	70	50	KIIA	biogenic
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@H](c2cc(OC)c(OC)c(OC)c2)CC(=O)O4)cc1O	217919685	PWAKJZWIXFQUDF-HNNXBMFYSA-N	520.490	4.347	70	50	KIIA	biogenic
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2cc(OC)c(OC)cc2OC)o1	217608542	YTXDTWHEFGHWKA-NRFANRHFSA-N	548.592	4.106	70	50	KIIA	biogenic
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@H](c2ccc(OC)c(OC)c2OC)CC(=O)O4)cc1O	217733174	ZUEAMAAMIQHJKN-HNNXBMFYSA-N	520.490	4.347	70	50	KIIA	biogenic
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2coc3ccccc3c2=O)o1	217926575	BXZJBFDPFJWOJT-NRFANRHFSA-N	526.545	4.186	70	50	KIIA	biogenic
Cc1ccccc1N1C(=O)[C@H]2C3C(C(=O)Oc4ccccc4)=CC([C@H]2C1=O)[C@H]1C(=O)N(c2ccccc2C)C(=O)[C@@H]31	217424048	MLBSYBWRPIIJOU-IEXPLEERSA-N	546.579	4.006	70	50	KIIA	
NC(=O)[C@@H](NC(=O)c1ccccc1)C(c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1	100855381	YMEMAEBWJOHBNZ-HKBQPEDESA-N	528.592	4.485	70	50	KIIA	
CCOC(=O)c1c(OS(=O)(=O)C(F)(F)F)c(-c2ccc(Cl)cc2)nn1CCNC(=O)OC(C)(C)C	261508628	VJWPPZJYMQXCGY-UHFFFAOYSA-N	541.932	4.133	70	50	KIIA	
NC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Oc1c(F)c(F)c(F)c(F)c1F	71788067	FVJZFMYVWWIIGD-KRWDZBQOSA-N	534.437	4.460	70	50	KIIA	in-vitro