smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(CNS(=O)(=O)c1cccc2nsnc12)NNS(=O)(=O)c1ccc(Cl)cc1	2142597	ZOWIQBSOEGLYEN-UHFFFAOYSA-N	461.934	0.633	50	30	JCGC	
CC(=O)OC[C@@H]1O[C@@H](OCCBr)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	35636643	WAUIUUNDCFRMRS-CQJMVSDSSA-N	455.254	0.481	50	30	JCGC	
CS(=O)(=O)OCCN(CCCl)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1	3934759	QVWYCTGTGHDWFQ-AWEZNQCLSA-N	450.897	0.756	50	30	JCGC	investigational
CC(=O)OC[C@@H]1O[C@@H](OCCBr)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	44699210	WAUIUUNDCFRMRS-ZVDSWSACSA-N	455.254	0.481	50	30	JCGC	
COCOc1c(B(O)O)cc2ccccc2c1-c1c(OCOC)c(B(O)O)cc2ccccc12	198005830	XCYJECQNLMGYEH-UHFFFAOYSA-N	462.072	0.985	50	30	JCGC	
CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](N(CCCl)CCCl)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	149722399	IBVNNVNKILNDQJ-ZKXLYKBJSA-N	472.318	0.849	50	30	JCGC	
CC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]2O)N(C)C1	575232083	GOTDPKVMVWZIIW-KJZNXJRVSA-N	490.943	0.116	50	30	JCGC	
CNCCC[Si](OCCOCCOC)(OCCOCCOC)OCCOCCOC	196805932	DRGOPUOUFJYCRI-UHFFFAOYSA-N	457.637	0.574	50	30	JCGC	
CC(=O)OC[C@@H]1O[C@@H](OCCBr)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	34527653	WAUIUUNDCFRMRS-XFIYOXNOSA-N	455.254	0.481	50	30	JCGC	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O[C@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	258840290	ZPXMEOGHWWIMAF-OJCHZAQKSA-N	460.476	0.103	50	30	JCGC	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	77291666	ZPXMEOGHWWIMAF-UTDJYNOXSA-N	460.476	0.103	50	30	JCGC	in-vitro
CC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@@H](OP(=O)(O)O)[C@@H](O)[C@H]2O)N(C)C1	575232082	GOTDPKVMVWZIIW-BIFROJTMSA-N	490.943	0.116	50	30	JCGC	
CN(C)/C=N/c1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)c2[nH]1	226191651	ILIKLOCTYDXXNJ-FKZMKMQHSA-N	452.588	0.982	50	30	JCGC	
O=C(O)C[C@](O)(CC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)O	1070091249	CMUYRARWKPMOAC-JUKMUDQWSA-N	497.240	0.140	50	30	JCGC	
CC(=O)OC[C@@H]1O[C@@H](OCCBr)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	575124525	WAUIUUNDCFRMRS-UYJHQMFVSA-N	455.254	0.481	50	30	JCGC	
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	77291670	ZPXMEOGHWWIMAF-YQWWANEUSA-N	460.476	0.103	50	30	JCGC	in-vitro
CO[Si](CCCN(CCO)CCN(CCO)CCC[Si](OC)(OC)OC)(OC)OC	196040295	AFHXHUBTTHIEHJ-UHFFFAOYSA-N	472.728	0.111	50	30	JCGC	
CC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O)N(C)C1	255974624	GOTDPKVMVWZIIW-RRRPBDPSSA-N	490.943	0.116	50	30	JCGC	
COC(=O)[C@H](CSSC[C@H](NC(=O)C(F)(F)F)C(=O)OC)NC(=O)C(F)(F)F	32234052	HWYAWGNAKBQNRN-WDSKDSINSA-N	460.374	0.808	50	30	JCGC	in-vitro
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N(CCCl)CCCl)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	95787827	IBVNNVNKILNDQJ-DUQPFJRNSA-N	472.318	0.849	50	30	JCGC	
O=C(O)C[C@@](O)(CC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)O	1070091250	CMUYRARWKPMOAC-OMXAPOSASA-N	497.240	0.140	50	30	JCGC	
CC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](OP(=O)(O)O)[C@H](O)[C@H]2O)N(C)C1	255974622	GOTDPKVMVWZIIW-FZFGAMNESA-N	490.943	0.116	50	30	JCGC	
O=C(CN1CCOCC1)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1	100127571	GTKMFTZKVBNTSR-UKRRQHHQSA-N	450.275	0.792	50	30	JCGC	
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	604970504	ZPXMEOGHWWIMAF-FKJCAISASA-N	460.476	0.103	50	30	JCGC