smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)N3CCN(S(C)(=O)=O)CC3)CS[C@@H]21	218536042	BBVJSGYADGBSSJ-XIKOKIGWSA-N	441.531	0.377	70	50	ICIA	
COc1ccc(CCN2C[C@@H](C(=O)N3CC[C@H](S(=O)(=O)F)C3)CC2=O)cc1OC	2325887634	FGFOTRZDEUTEJD-GJZGRUSLSA-N	428.482	0.995	70	50	ICIA	
COc1cc([C@H](CC(N)=O)c2oc(CN3CCOCC3)cc(=O)c2O)cc(OC)c1O	218009249	DBBQVYDKJVDQBK-AWEZNQCLSA-N	434.445	0.908	70	50	ICIA	biogenic
COc1cc([C@@H](CC(N)=O)c2oc(CN3CCOCC3)cc(=O)c2O)cc(OC)c1O	218009328	DBBQVYDKJVDQBK-CQSZACIVSA-N	434.445	0.908	70	50	ICIA	biogenic
NS(=O)(=O)c1ccc(CNC(=O)C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)cc1	218128381	FHZAIGBSTMUIFZ-KRWDZBQOSA-N	430.486	0.503	70	50	ICIA	
COc1ccc(CCN2C[C@H](C(=O)N3CC[C@@H](S(=O)(=O)F)C3)CC2=O)cc1OC	2325887635	FGFOTRZDEUTEJD-HUUCEWRRSA-N	428.482	0.995	70	50	ICIA	
O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N[C@H](CO)Cc1ccccc1	217843171	YXTSJNODMUGPAQ-IRXDYDNUSA-N	425.441	0.946	70	50	ICIA	biogenic
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)N3CCN(S(C)(=O)=O)CC3)CS[C@H]21	218536128	BBVJSGYADGBSSJ-KPZWWZAWSA-N	441.531	0.377	70	50	ICIA	
NS(=O)(=O)c1ccc(CNC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)cc1	218245808	PWKNPLSMELLMEQ-KRWDZBQOSA-N	430.486	0.851	70	50	ICIA	
COc1ccc(CN2C(=O)N[C@@H](CC(=O)N[C@H](CO)CCSC)C2=O)cc1OC	217730442	SWBDARKBSHTWJT-KBPBESRZSA-N	425.507	0.745	70	50	ICIA	biogenic
CS(=O)(=O)N1CCN(C(=O)C[C@@H]2NC(=O)N(c3cccc4ccccc34)C2=O)CC1	218449541	OYIBLQUEJQIRNM-INIZCTEOSA-N	430.486	0.759	70	50	ICIA	
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N[C@H](CO)CCSC)C2=O)cc1OC	217623896	YZEJHQMRORGMKX-GJZGRUSLSA-N	439.534	0.787	70	50	ICIA	biogenic
COc1ccc(CCN2C[C@H](C(=O)N3CC[C@H](S(=O)(=O)F)C3)CC2=O)cc1OC	2325887633	FGFOTRZDEUTEJD-CABCVRRESA-N	428.482	0.995	70	50	ICIA	
O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCCCN1CCOCC1	217763659	MNFRSXDANMORJN-IBGZPJMESA-N	427.505	0.859	70	50	ICIA	biogenic
COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)N1CCN(S(C)(=O)=O)CC1	218536214	BBVJSGYADGBSSJ-SGTLLEGYSA-N	441.531	0.377	70	50	ICIA	
COc1ccc(CCN2C[C@@H](C(=O)N3CC[C@@H](S(=O)(=O)F)C3)CC2=O)cc1OC	2325887636	FGFOTRZDEUTEJD-LSDHHAIUSA-N	428.482	0.995	70	50	ICIA	
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)N3CCN(S(C)(=O)=O)CC3)CS[C@H]21	218535962	BBVJSGYADGBSSJ-KZULUSFZSA-N	441.531	0.377	70	50	ICIA