smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
ClC(Cl)=C([C@H](Cl)C(N1CCOCC1)N1CCOCC1)N1CCOCC1	111412080	YVWFFAAZXOIGDJ-ZDUSSCGKSA-N	414.761	1.563	50	30	HDGC	
Cc1nc(CS(=O)(=O)c2ccccn2)sc1C(=O)NNC(=O)c1ccccc1	6058828	AFFRTRAFFIGGDF-UHFFFAOYSA-N	416.484	1.895	50	30	HDGC	
O=C(Cn1c(-c2ccccc2)cc(=O)n2ncnc12)N/N=C/c1ccc2c(c1)OCO2	1034213	DMJSZFLGNWREID-AUEPDCJTSA-N	416.397	1.437	50	30	HDGC	
O=C(Cn1nnc(-c2cccc(Cl)c2Cl)n1)NNC(=S)NC(=O)C1CC1	2145369	QECUTUFNJOLJNR-UHFFFAOYSA-N	414.278	1.079	50	30	HDGC	
Cn1ncc2c(-n3ncc(C(=O)NNC(=O)c4ccco4)c3C(F)(F)F)ncnc21	1027822	QBUYSRNWQLNPOU-UHFFFAOYSA-N	420.311	1.236	50	30	HDGC	
CC(C)C(=O)NNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1	1035293	LOERHFWUZSFCQT-UHFFFAOYSA-N	404.858	1.235	50	30	HDGC	
CNC(=S)NNC(=O)[C@@H](CCSC)NC(=O)c1ccc(C(F)(F)F)cc1	3078736	NPPLNSTWOCGTEE-LLVKDONJSA-N	408.471	1.682	50	30	HDGC	
CNC(=S)NNC(=O)[C@H](CCSC)NC(=O)c1ccc(C(F)(F)F)cc1	3078737	NPPLNSTWOCGTEE-NSHDSACASA-N	408.471	1.682	50	30	HDGC	
COc1ccc(-c2nnn(CC(=O)NNC(=S)Nc3ccccc3)n2)cc1OC	33637903	OXDSEFQDFWEXEU-UHFFFAOYSA-N	413.463	1.375	50	30	HDGC	
ClC(Cl)=C([C@@H](Cl)C(N1CCOCC1)N1CCOCC1)N1CCOCC1	111412078	YVWFFAAZXOIGDJ-CYBMUJFWSA-N	414.761	1.563	50	30	HDGC	
O=C(Cc1nc(-c2cnccn2)no1)NNC(=O)Nc1ccc(OC(F)(F)F)cc1	1040016	WBHXJMHCSHFDTJ-UHFFFAOYSA-N	423.311	1.821	50	30	HDGC	
CCO[Si](CCCN(C[C@H](O)CCl)C[C@@H](O)CCl)(OCC)OCC	195768614	XKXVAWYYKGISES-GASCZTMLSA-N	406.423	1.926	50	30	HDGC	
CCO[Si](CCCN(C[C@@H](O)CCl)C[C@@H](O)CCl)(OCC)OCC	195768615	XKXVAWYYKGISES-GJZGRUSLSA-N	406.423	1.926	50	30	HDGC	
O=C(NNC1=NCCCN1)c1cc(OCC(F)(F)F)nc(OCC(F)(F)F)c1	8647710	OQTBFJZUTDJSIB-UHFFFAOYSA-N	415.294	1.548	50	30	HDGC	
Cc1nn(C)c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-]	1047392	XNWYSVGPDDHEDX-UHFFFAOYSA-N	402.194	1.784	50	30	HDGC	
Cc1ccc2oc(=O)n(CCC(=O)NNC(=O)c3nc(-c4cccs4)no3)c2c1	12340595	WGPLRALIJFMQQQ-UHFFFAOYSA-N	413.415	1.866	50	30	HDGC	
CNS(=O)(=O)c1cc2c(c(C(=O)NC[C@@H](Cl)CCCCl)c1)OCCO2	60258476	BBCZXKQLUMQEFC-JTQLQIEISA-N	411.307	1.722	50	30	HDGC	
CC(=O)NNS(=O)(=O)c1scc(S(=O)(=O)c2ccc(Cl)cc2)c1C	4350486	VIEQAUWOUPFGMC-UHFFFAOYSA-N	408.910	1.872	50	30	HDGC	
O=C(NNS(=O)(=O)c1ccccc1Cl)c1nn(-c2ccc(F)cc2)ccc1=O	1047908	BTKXYYXWCWHYMP-UHFFFAOYSA-N	422.825	1.648	50	30	HDGC	
O=C(CNS(=O)(=O)c1cccc2nsnc12)N/N=C/c1ccc(Cl)cc1	3180708	KFLCNRLWUZLYFP-CAOOACKPSA-N	409.880	1.773	50	30	HDGC	
O=C(Cn1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNC(=O)C1CC1	1044758	SLCUIRGKSCEXAM-UHFFFAOYSA-N	422.289	1.935	50	30	HDGC	
CCO[Si](CCCN(C[C@H](O)CCl)C[C@H](O)CCl)(OCC)OCC	195768613	XKXVAWYYKGISES-HUUCEWRRSA-N	406.423	1.926	50	30	HDGC	
O=C(CS[C@H]1CS(=O)(=O)c2cc([N+](=O)[O-])ccc21)NNC(=O)c1ccccc1	3127631	QKBLDQVDQZPXDR-AWEZNQCLSA-N	421.456	1.618	50	30	HDGC	
CNS(=O)(=O)c1cc2c(c(C(=O)NC[C@H](Cl)CCCCl)c1)OCCO2	60258473	BBCZXKQLUMQEFC-SNVBAGLBSA-N	411.307	1.722	50	30	HDGC	
O=NN(CCCl)C(=O)NCCC(S)(S)CNC(=O)N(CCCl)N=O	585138938	AEFFULUTFXWBPY-UHFFFAOYSA-N	421.332	1.796	50	30	HDGC	
O=C(Cn1nnc(N2CCCCC2)n1)NNC(=S)Nc1ccc(F)c(Cl)c1	1044485	CKARNJQSTWGEJL-UHFFFAOYSA-N	412.882	1.474	50	30	HDGC	
COC1(OC)CCN(Cc2ccc3c(c2)cc(B(O)O)n3C(=O)OC(C)(C)C)CC1	201301141	PFVDVTKMMZFCJR-UHFFFAOYSA-N	418.299	1.689	50	30	HDGC	
C[C@](O)(CI)COS(=O)(=O)c1ccc([N+](=O)[O-])cc1	3651240	RGHMHAJGYNTVAZ-JTQLQIEISA-N	401.178	1.486	50	30	HDGC	
CC1(C)O[C@@H]2[C@@H](CI)O[C@@H](n3cnc4c(N)ncnc43)[C@@H]2O1	31998392	DPEHZPBZYGVHMH-WOUKDFQISA-N	417.207	1.261	50	30	HDGC	
O=C(CS[C@@H]1CS(=O)(=O)c2cc([N+](=O)[O-])ccc21)NNC(=O)c1ccccc1	3127632	QKBLDQVDQZPXDR-CQSZACIVSA-N	421.456	1.618	50	30	HDGC	
COc1ccc(S(=O)(=O)NNC(=O)COc2ccc(C)c3c2CCC3)cc1OC	3137734	RSNXAMNYFIWBPE-UHFFFAOYSA-N	420.487	1.889	50	30	HDGC	
O=C(CS(=O)(=O)c1ccc(C(F)(F)F)cn1)NNC(=O)Nc1ccccc1	6500231	RCAMBAVJNWZNIB-UHFFFAOYSA-N	402.354	1.727	50	30	HDGC	
O=C(Cn1nnc(-c2cc(Cl)cc(Cl)c2)n1)NNC(=S)NC(=O)C1CC1	2145367	PRAKIODPOVCIIS-UHFFFAOYSA-N	414.278	1.079	50	30	HDGC	
COC(=O)C/C(=N\NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)OC	4299989	YCTNGQJDMGJVLA-UDWIEESQSA-N	408.798	1.531	50	30	HDGC