smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCC3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2	217913051	FQAGKSOZCFUKPF-QFIPXVFZSA-N	539.629	2.818	70	50	KFIA	biogenic
O=C(CCOCCOCCOCCOCCON1C(=O)c2ccccc2C1=O)Oc1c(F)c(F)c(F)c(F)c1F	575629441	XHCPQOPVDGGVBJ-UHFFFAOYSA-N	577.455	2.972	70	50	KFIA	
CCOC(=O)CN1C(=O)[C@]2(N[C@H](Cc3ccccc3)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)c2ccccc21	217674444	SIHWJLLANVMQEL-WTBAIAJFSA-N	509.562	2.812	70	50	KFIA	
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3cnn(C)c3)c(=O)cc1[C@@H](NC(C)=O)CC2	218056959	GBSNEPFSISIQFK-FQEVSTJZSA-N	521.574	2.647	70	50	KFIA	biogenic
CCN1CCC[C@H]1CNC(=O)CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2	218050719	DUWRRONQPOCWCG-REWPJTCUSA-N	552.672	2.875	70	50	KFIA	biogenic
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3cc(C)n(C)n3)c(=O)cc1[C@@H](NC(C)=O)CC2	217968406	UGUVBAYQNGDKMI-FQEVSTJZSA-N	535.601	2.956	70	50	KFIA	biogenic
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCc3cccn3C)c(=O)cc1[C@@H](NC(C)=O)CC2	218105595	UENFYNFCIFLTDP-QFIPXVFZSA-N	534.613	2.930	70	50	KFIA	biogenic
CCN1CCC[C@@H]1CNC(=O)CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2	218050631	DUWRRONQPOCWCG-OFNKIYASSA-N	552.672	2.875	70	50	KFIA	biogenic
COc1cccc(N2CCN(C(=O)COc3coc(CN4CCc5cc(OC)c(OC)cc5C4)cc3=O)CC2)c1	217862376	TXUPIPCQGUASRE-UHFFFAOYSA-N	549.624	2.952	70	50	KFIA	biogenic
CCOC(=O)CN1C(=O)[C@]2(N[C@H](CCSC)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)c2ccccc21	217599116	JFSACOGEXOVPMC-KGPRRQHISA-N	528.030	2.976	70	50	KFIA	
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCc3cccnc3)c(=O)cc1[C@@H](NC(C)=O)CC2	217950216	YWDOKEKQGDMDQP-QFIPXVFZSA-N	532.597	2.986	70	50	KFIA	biogenic
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3ccn(C)n3)c(=O)cc1[C@@H](NC(C)=O)CC2	218067892	AIBMJFBJOLSSER-IBGZPJMESA-N	521.574	2.647	70	50	KFIA	biogenic
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCN(Cc4nc5ccccc5c(=O)[nH]4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2	217988661	MBGFPPWRQDYIOJ-MHZLTWQESA-N	668.751	2.856	70	50	KFIA	biogenic
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NC[C@@H]3CCCO3)c(=O)cc1[C@@H](NC(C)=O)CC2	217996878	IYQXANZEUGOCIW-RXVVDRJESA-N	525.602	2.570	70	50	KFIA	biogenic
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCCN3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2	218097602	IXBNMPUTVULJTN-CYFREDJKSA-N	582.698	2.502	70	50	KFIA	biogenic
Fc1c(F)c([SiH](c2ccccc2)c2ccccc2)c(F)c(F)c1[SiH](c1ccccc1)c1ccccc1	169817043	MMBBSNVRGCFBLU-UHFFFAOYSA-N	514.670	2.740	70	50	KFIA	
COCCCNC(=O)[C@H](C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2	218121831	ZYFUBZBBAPFNQN-KKSFZXQISA-N	527.618	2.816	70	50	KFIA	biogenic
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NC[C@H]3CCCO3)c(=O)cc1[C@@H](NC(C)=O)CC2	217996966	IYQXANZEUGOCIW-NQIIRXRSSA-N	525.602	2.570	70	50	KFIA	biogenic
O=Cc1ccc(C(=O)NCCOCCOCCOCCOCCC(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1	100008520	NHBPGMASABKYSZ-UHFFFAOYSA-N	563.472	2.987	70	50	KFIA	in-vitro
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NCCO)c(=O)cc1[C@@H](NC(C)=O)CC2	217789190	ZKAXKKLRADABKU-GMAHTHKFSA-N	541.645	2.798	70	50	KFIA	biogenic
C#Cc1cc(CN2CCN(C(=O)Cc3sc(-c4cc[nH]n4)nc3C)[C@@H](C)C2)cc(S(=O)(=O)F)c1	1875375961	KPLQMIIUJRBMBH-HNNXBMFYSA-N	501.609	2.757	70	50	KFIA	
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCCn3c(=O)c(O)nc4ccccc43)c(=O)cc1[C@@H](NC(C)=O)CC2	217941562	SIUPOWKJJQGGPQ-QFIPXVFZSA-N	629.670	2.507	70	50	KFIA	biogenic