smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)onc2n(-c2ccccc2)c(=O)n1-c1ccccc1	1042204	TVMXTPVXCXROGR-UHFFFAOYSA-N	426.388	3.705	5	30	IHBC	
O=C(OCCS[C@@H]1CS(=O)(=O)c2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1	8648520	GTJCSGRRRAQZGG-OAHLLOKOSA-N	427.887	3.667	5	30	IHBC	
O=C(OCCS[C@H]1CS(=O)(=O)c2cc([N+](=O)[O-])ccc21)c1ccccc1Cl	3129121	VSJRULPFCLIBGR-HNNXBMFYSA-N	427.887	3.667	5	30	IHBC	
CS(=O)(=O)NC(=O)c1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-]	139449822	ULHCYHBKSYXFES-UHFFFAOYSA-N	438.767	3.749	5	30	IHBC	
O=[N+]([O-])c1ccc(Oc2c(Cl)cc(S(=O)(=O)N3CCOCC3)cc2Cl)cc1	1037939	HQLSMUASJHCVKD-UHFFFAOYSA-N	433.269	3.715	5	30	IHBC	
C[N+](C)(C)CCO[P@@](=O)(OCCCCCCC(=O)O)Oc1ccc([N+](=O)[O-])cc1	585138905	CFXKKUURXDOVIU-GDLZYMKVSA-O	433.418	3.856	5	30	IHBC	
Cc1ccc(S(=O)(=O)n2cc(I)c3cccc([N+](=O)[O-])c32)cc1	953048383	SJXUJGGOOXAFSH-UHFFFAOYSA-N	442.234	3.700	5	30	IHBC	
Cn1c(=O)c2cc3ccccc3nc2c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21	1042004	OYVOZTLOLMWYPI-UHFFFAOYSA-N	446.466	3.542	5	30	IHBC	
Cc1ccc(NC(=S)N2CCN(c3ncnc4scc(C)c34)CC2)cc1[N+](=O)[O-]	1027196	CWNWJSRNELHWGZ-UHFFFAOYSA-N	428.543	3.735	5	30	IHBC	
Cn1nc(-c2ccc(S(=O)(=O)Oc3cccc([N+](=O)[O-])c3)s2)cc1C(F)(F)F	2152997	YSTUMXCWAIKCKX-UHFFFAOYSA-N	433.389	3.843	5	30	IHBC	
O=[N+]([O-])c1cc(Br)cnc1Sc1nnc(O)n1-c1ccc(Cl)cc1	12370007	XAXYGPJSGHBIKI-UHFFFAOYSA-N	428.655	3.843	5	30	IHBC	
C[N+](C)(C)CCO[P@](=O)(OCCCCCCC(=O)O)Oc1ccc([N+](=O)[O-])cc1	585138906	CFXKKUURXDOVIU-LJAQVGFWSA-O	433.418	3.856	5	30	IHBC	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1N1CCc2ccccc2C1	8637141	SMJWOTSTPKKMFY-UHFFFAOYSA-N	449.532	3.905	5	30	IHBC	
CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])o2)nc(SC)n1Cc1cccs1	3126106	DIAVOKVWGGRSEL-UHFFFAOYSA-N	436.471	3.645	5	30	IHBC	
COc1c(Cl)cc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(F)cc(F)cc1F	1031372	OGYGJCVDUZWKJS-UHFFFAOYSA-N	433.726	3.645	5	30	IHBC	
O=C(OCCS[C@@H]1CS(=O)(=O)c2cc([N+](=O)[O-])ccc21)c1ccccc1Cl	3129122	VSJRULPFCLIBGR-OAHLLOKOSA-N	427.887	3.667	5	30	IHBC	
CCCOCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	33605507	BJZLZKZOTKFYIS-OAQYLSRUSA-N	446.500	3.751	5	30	IHBC	
COc1ccc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Oc1c(Cl)cc(F)cc1Cl	1023883	BPVVRELCVUYQOZ-UHFFFAOYSA-N	433.175	3.987	5	30	IHBC	
CCOC(=O)c1ccc(N2CCCCC2)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	1037244	BXQPYUQZOFOYMP-UHFFFAOYSA-N	433.486	3.563	5	30	IHBC	
CC(=O)NC1=NC(=O)C(=Cc2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)N1C	2265279789	VJLBENBKNHQVLC-UHFFFAOYSA-N	448.357	3.711	5	30	IHBC	
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O	100292385	WJYBUIXOYYFGRY-UHFFFAOYSA-N	429.388	3.594	5	30	IHBC	
O=C(OCCS[C@H]1CS(=O)(=O)c2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1	8648521	GTJCSGRRRAQZGG-HNNXBMFYSA-N	427.887	3.667	5	30	IHBC	
COCCCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1csc(C)n1	2150154	ABORMTBKFQHIGP-UHFFFAOYSA-N	433.515	3.630	5	30	IHBC	
Cc1cc(C)c(NC(=O)CS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1	1042604	WSNZRWITBGYPER-UHFFFAOYSA-N	430.404	3.951	5	30	IHBC	
Cc1ccc(NC(=S)N2CCN(c3ncnc4c(C)csc34)CC2)cc1[N+](=O)[O-]	1027177	MVUTYNPWTXPDMO-UHFFFAOYSA-N	428.543	3.735	5	30	IHBC	
Cc1onc(-c2ccc(N)cc2)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1	95079906	IFORBGIGTQZJOA-UHFFFAOYSA-N	441.875	3.756	5	30	IHBC	
CCCOCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	33605509	BJZLZKZOTKFYIS-NRFANRHFSA-N	446.500	3.751	5	30	IHBC	
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)cc2I)cc1	8648613	IIVDRKNPBAPOAU-UHFFFAOYSA-N	438.630	3.654	5	30	IHBC	
CCOC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)CC1	12340568	UWTBIYWWVVWXMF-UHFFFAOYSA-N	428.441	3.811	5	30	IHBC	
Cc1ccc(S(=O)(=O)Oc2cc(S(=O)(=O)c3ccccc3)ccc2[N+](=O)[O-])cc1	3118315	ILRQSNLFGVMYNF-UHFFFAOYSA-N	433.463	3.504	5	30	IHBC	
O=C(CSc1nnc2n1CCCN2C(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1	1034634	DMIKYMINWVXCGA-UHFFFAOYSA-N	438.469	3.604	5	30	IHBC