smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(/C=C/c1cccs1)NC(=S)NNC(=O)Cn1nnc(-c2cc(Cl)cc(Cl)c2)n1	2146138	YLCMBGKGVNJEPQ-ONEGZZNKSA-N	482.378	2.444	50	30	JEGC	
COc1cc([N+](=O)[O-])c(OC)cc1SCC(=O)NNC(=O)c1c(OC)cccc1OC	2161052	FXMWHXYDPHHDDE-UHFFFAOYSA-N	451.457	2.183	50	30	JEGC	
O=C(Cn1nnc(-c2ccccc2C(F)(F)F)n1)NNS(=O)(=O)c1cccc(C(F)(F)F)c1	1044895	VXQNIZHUEKHOGF-UHFFFAOYSA-N	494.377	2.387	50	30	JEGC	
CCOC(=O)C(=CNNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F)C(=O)OCC	12340349	NATDEFPMCJDXAC-UHFFFAOYSA-N	485.375	2.044	50	30	JEGC	
O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1csc(CS(=O)(=O)Cc2ccco2)n1	2150954	OAKVNBLXPWTHBN-UHFFFAOYSA-N	475.957	2.128	50	30	JEGC	
O=C(/C=C/c1cccs1)NC(=S)NNC(=O)Cn1nnc(-c2cccc(Cl)c2Cl)n1	2145305	NSVIDMFNNSVQLG-VOTSOKGWSA-N	482.378	2.444	50	30	JEGC	
Cc1cc(C(=O)NNC(=O)C2CCN(c3nccc(C(F)(F)F)n3)CC2)nn1C(C)(C)C	1029603	IOBQHFXDROSPFS-UHFFFAOYSA-N	453.469	2.433	50	30	JEGC	
[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)OC[C@@H](Br)CBr)C1=O	111874915	QPDJAIAXLQDVMI-QMMMGPOBSA-N	450.108	2.431	50	30	JEGC	
O=C(CS[C@@H]1CS(=O)(=O)c2cc([N+](=O)[O-])ccc21)NNC(=O)c1ccc(Cl)cc1	3127630	HHKRTHXXCQAFHP-CQSZACIVSA-N	455.901	2.271	50	30	JEGC	
Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1	8622554	BHWOUXGKTCOSCY-UHFFFAOYSA-N	469.548	2.258	50	30	JEGC	
COc1ccc(OC)c(C(=O)NNC(=O)Cn2nnc(-c3cccc(Cl)c3Cl)n2)c1	1044966	ZPFDUGMRYVLZBC-UHFFFAOYSA-N	451.270	2.125	50	30	JEGC	
CNC(=S)NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCOC	12370065	RKSUSHITHZIDTK-UHFFFAOYSA-N	450.634	2.496	50	30	JEGC	
O=C(Cn1nnc(-c2ccccc2C(F)(F)F)n1)NNS(=O)(=O)c1cccc(Cl)c1	1044899	IGLRKUTUXPGLQH-UHFFFAOYSA-N	460.825	2.022	50	30	JEGC	
COc1cc([N+](=O)[O-])c(OC)cc1SCC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	12339033	PSFUHQHZKIBVSP-UHFFFAOYSA-N	481.483	2.191	50	30	JEGC	
COc1cccc(/C=N/NC(=O)[C@@H]2CCCN(C(=S)NN[C@H]3C[C@H]4C=C[C@H]3C4)CC2)c1O	100241593	KMHGIAGHSMGURL-VFLSWCCTSA-N	457.600	2.297	50	30	JEGC	
O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NNS(=O)(=O)c1cccc(C(F)(F)F)c1	1044983	PFLLJWRZXCLDOL-UHFFFAOYSA-N	494.377	2.387	50	30	JEGC	
CC(C)(C)OC(=O)N1CCN(Cc2ccc3c(c2)cc(B(O)O)n3C(=O)OC(C)(C)C)CC1	202523506	LCYMQKQCXOHACB-UHFFFAOYSA-N	459.352	2.157	50	30	JEGC	
COc1cc([N+](=O)[O-])c(OC)cc1SCC(=O)NNS(=O)(=O)c1ccc(Cl)cc1	2161058	MXWLXTQSYOCKGK-UHFFFAOYSA-N	461.905	2.367	50	30	JEGC	
COc1cccc(/C=N/NC(=O)[C@H]2CCCN(C(=S)NN[C@H]3C[C@H]4C=C[C@H]3C4)CC2)c1O	100241596	KMHGIAGHSMGURL-KAWHXHAVSA-N	457.600	2.297	50	30	JEGC	
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)CSc2ncnc3c(C)csc23)cc1	2159117	KUMFJZZWYIDLPB-UHFFFAOYSA-N	451.555	2.060	50	30	JEGC	
O=C(OCCOC(=O)C(Br)Br)C(Br)Br	111904157	ACQRIFFFFMCDGX-UHFFFAOYSA-N	461.726	2.305	50	30	JEGC	
COc1cccc(/C=N/NC(=O)[C@H]2CCCN(C(=S)NN[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)c1O	100241591	KMHGIAGHSMGURL-KDGXGYRFSA-N	457.600	2.297	50	30	JEGC	
O=C(CS(=O)(=O)c1ccc(C(F)(F)F)cn1)NNC(=O)c1cccc(C(F)(F)F)c1	6058929	NFROVANRFSANRN-UHFFFAOYSA-N	455.336	2.354	50	30	JEGC	
O=C(Cn1nnc(-c2ccccc2C(F)(F)F)n1)NNS(=O)(=O)c1ccc(Cl)cc1	1044898	ZFANOEUEOWJPTP-UHFFFAOYSA-N	460.825	2.022	50	30	JEGC	
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cc(I)c(=N)nc2O)C[C@H]1O	1531862216	GKUIXIRTAVPIGD-WOPDTQHZSA-N	467.380	2.343	50	30	JEGC	
O=C(CS[C@H]1CS(=O)(=O)c2cc([N+](=O)[O-])ccc21)NNC(=O)c1ccc(Cl)cc1	3127629	HHKRTHXXCQAFHP-AWEZNQCLSA-N	455.901	2.271	50	30	JEGC	
N#CC(N)=C(C#N)N=Cc1cc(I)c(O)c(I)c1	2265279738	HTBQGSSVCJRUJH-UHFFFAOYSA-N	464.004	2.238	50	30	JEGC	
O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1	1044982	RUWOCHOECTYHFK-UHFFFAOYSA-N	494.377	2.387	50	30	JEGC	
COc1cccc(/C=N/NC(=O)[C@@H]2CCCN(C(=S)NN[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)c1O	100241589	KMHGIAGHSMGURL-AGEJQLSASA-N	457.600	2.297	50	30	JEGC	
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cc(I)c(=N)nc2O)C[C@@H]1O	1531862215	GKUIXIRTAVPIGD-SRVKXCTJSA-N	467.380	2.343	50	30	JEGC	
Cc1nn(Cc2nnn(CC(=O)N/N=C/c3ccc(Cl)cc3)n2)c(C)c1Br	1038647	WNGVNBWKMNLLEH-FBCYGCLPSA-N	451.716	2.101	50	30	JEGC	
O=C(CS[C@H]1CS(=O)(=O)c2cc([N+](=O)[O-])ccc21)NNC(=O)c1ccccc1Cl	3127633	VQMBDTIYXQZXSB-AWEZNQCLSA-N	455.901	2.271	50	30	JEGC	
O=C(CS[C@@H]1CS(=O)(=O)c2cc([N+](=O)[O-])ccc21)NNC(=O)c1ccccc1Cl	3127634	VQMBDTIYXQZXSB-CQSZACIVSA-N	455.901	2.271	50	30	JEGC	
[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)OC[C@H](Br)CBr)C1=O	111874912	QPDJAIAXLQDVMI-MRVPVSSYSA-N	450.108	2.431	50	30	JEGC