smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	196336902	DZCGETIINZOISC-SFFUCWETSA-N	434.558	2.175	50	30	IEGC	
OC[C@H](CCl)OC/C(Br)=C(\Br)CO[C@H](CO)CCl	141913065	LLZFJDOCPOIVBL-MXJIBWSFSA-N	430.948	2.220	50	30	IEGC	
O=C(CI)Nc1ccccc1NC(=O)CI	79754252	XWOUHZSTRJAXAJ-UHFFFAOYSA-N	444.010	2.434	50	30	IEGC	
C[C@@H](C(=O)NNC(=O)C1CC1)n1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	1044890	IXOXLJVJQYMNKL-ZETCQYMHSA-N	436.316	2.496	50	30	IEGC	
OC[C@@H](CCl)OC/C(Br)=C(\Br)CO[C@H](CO)CCl	111896636	LLZFJDOCPOIVBL-NXMMBMGWSA-N	430.948	2.220	50	30	IEGC	
COc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1O	1033768	BJGJDTUEUSESTL-JUWYGBDMSA-N	426.498	2.447	50	30	IEGC	
OC[C@@H](CCl)OC/C(Br)=C(\Br)CO[C@@H](CO)CCl	111896631	LLZFJDOCPOIVBL-GAKMQHSGSA-N	430.948	2.220	50	30	IEGC	
CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	238791398	DZCGETIINZOISC-ICUGJSFKSA-N	434.558	2.175	50	30	IEGC	
CC(=O)O[C@H]1CN2CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2[C@@H](OC(C)=O)[C@@H]1OC(C)=O	197250121	QCTLSHPYNMVGII-NTZUZEMLSA-N	429.586	2.260	50	30	IEGC	
COc1ccc(-c2nnn(CC(=O)NNC(=S)Nc3ccc(Cl)cc3)n2)cc1OC	33637912	MCLRSKQPGOQPMO-UHFFFAOYSA-N	447.908	2.029	50	30	IEGC	
C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(/C=O)[C@H](OC(=O)C(C)(C)O)[C@@H](OC(=O)C(C)C)[C@@H]12	257554049	UJBPJKIMHZUROX-WSEDFZBKSA-N	434.485	2.200	50	30	IEGC	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NNC(=O)CSc1nc2cccnc2s1	6198903	SCSQCAWDSXRQJH-UHFFFAOYSA-N	439.500	2.010	50	30	IEGC	
CC(C)(C)c1ccc(-c2nnn(CC(=O)NNS(=O)(=O)c3ccc(Cl)cc3)n2)cc1	1047478	QCBYRTPANMZSMO-UHFFFAOYSA-N	448.936	2.301	50	30	IEGC	
Cc1ccc(Cl)cc1NC(=S)NNC(=O)Cn1nnc(-c2cccc([N+](=O)[O-])c2)n1	3138345	VLMCSKYWPYSBCC-UHFFFAOYSA-N	446.880	2.228	50	30	IEGC	
CC(C)C[C@H](NC(=O)Cc1ccsc1)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1	2149128	PTKITYDEUDPWNS-INIZCTEOSA-N	443.978	2.485	50	30	IEGC	
O=C(CCl)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	196001972	XOFYGTPELGZPLY-UHFFFAOYSA-M	443.518	2.436	50	30	IEGC	
Cc1nn(-c2ccccc2)cc1/C=N/NC(=O)Cn1nc2n(c1=O)-c1ccccc1SC2	1036415	XOVGQSUSYHADGB-FOKLQQMPSA-N	445.508	2.284	50	30	IEGC	
COc1cc([N+](=O)[O-])c(OC)cc1SCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	2161034	JHMYVZUMTMCPAE-UHFFFAOYSA-N	436.402	2.074	50	30	IEGC	
CNS(=O)(=O)c1cc2c(c(C(=O)NC[C@H](Cl)CCCCl)c1)OCCCO2	60258467	WJPVGGFEQFHIDH-LLVKDONJSA-N	425.334	2.112	50	30	IEGC	
N=C(N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1	85479884	UXGFJYQFSUTKFH-KRWDZBQOSA-N	429.433	2.058	50	30	IEGC	
CNS(=O)(=O)c1cc2c(c(C(=O)NC[C@@H](Cl)CCCCl)c1)OCCCO2	60258470	WJPVGGFEQFHIDH-NSHDSACASA-N	425.334	2.112	50	30	IEGC	
COc1ccc(S(=O)(=O)NNC(=O)C2CCN(CC=Cc3ccccc3)CC2)cc1	2265279339	BWHIREDSGRZTMX-UHFFFAOYSA-N	429.542	2.430	50	30	IEGC	
COc1cc([N+](=O)[O-])c(OC)cc1SCC(=O)NNC(=O)c1c(F)cccc1F	1036221	NUMIVBQRBQIMIU-UHFFFAOYSA-N	427.385	2.444	50	30	IEGC	
C[C@H](C(=O)NNC(=O)C1CC1)n1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	1044891	IXOXLJVJQYMNKL-SSDOTTSWSA-N	436.316	2.496	50	30	IEGC	
COc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1O	1033766	BJGJDTUEUSESTL-HBCQQBENSA-N	426.498	2.447	50	30	IEGC	
CC(C)C[C@@H](NC(=O)Cc1ccsc1)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1	2149131	PTKITYDEUDPWNS-MRXNPFEDSA-N	443.978	2.485	50	30	IEGC	
COc1cc([N+](=O)[O-])c(OC)cc1SCC(=O)NNS(=O)(=O)c1ccc(C)cc1	3185791	QWMWCXPTTPYRKH-UHFFFAOYSA-N	441.487	2.022	50	30	IEGC