smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO	217807360	FQZUBSBSVVDWLO-WVPUPOHOSA-N	406.392	-3.550	5	40	HABB	
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](COS(=O)(=O)O)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1	35645779	UGJNMWVITHXKNR-ZSLBOAEBSA-N	422.368	-1.256	5	40	HABB	
O=c1nc2n(C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c3ccc(Cl)cc3nc-2c(=O)[nH]1	4430761	ATUPVFGMRCAOBV-JULQROHOSA-N	412.786	-2.326	5	40	HABB	
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c2cc1C	4353344	RPADDAUXKBBASM-CTHBEMJXSA-N	406.395	-2.363	5	40	HABB	
O=C1NC(=S)NC(=O)C1C(c1cccc([N+](=O)[O-])c1)C1C(=O)NC(=S)NC1=O	3668962	MHRIFQKMFPOENH-UHFFFAOYSA-N	421.416	-1.027	5	40	HABB	
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	4430699	WJPLSTABBCGIQS-HIFLKKFUSA-N	424.399	-1.187	5	40	HABB	
CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](COS(=O)(=O)O)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1	35645782	UGJNMWVITHXKNR-HPCHECBXSA-N	422.368	-1.256	5	40	HABB	
COCCNC(=O)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	9600308	VJUCLEVLFDJUBX-CYBMUJFWSA-N	416.412	-1.179	5	40	HABB	
CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO	217807282	FQZUBSBSVVDWLO-KHCCBYDRSA-N	406.392	-3.550	5	40	HABB	
CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	19330123	FQZUBSBSVVDWLO-VOUJRGJMSA-N	406.392	-3.550	5	40	HABB	
O=c1nc2n(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c3ccc(Cl)cc3nc-2c(=O)[nH]1	4430763	ATUPVFGMRCAOBV-XKAARJIMSA-N	412.786	-2.326	5	40	HABB	
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c2cc1C	4353345	RPADDAUXKBBASM-QHSBEEBCSA-N	406.395	-2.363	5	40	HABB	
CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	19330120	FQZUBSBSVVDWLO-VQNBZPTLSA-N	406.392	-3.550	5	40	HABB	
NC(=O)NC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	9316022	ZIOKNBXKBIBIJC-KOLCDFICSA-N	416.368	-1.543	5	40	HABB	
COC(=O)CCC(=O)N1CN2CN(C(=O)CCC(=O)OC)CC([N+](=O)[O-])(C2)C1	20065878	AMLMRGWKPTWFIL-UHFFFAOYSA-N	400.388	-1.190	5	40	HABB	
CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O	38309166	UGJNMWVITHXKNR-XVIXHAIJSA-N	422.368	-1.256	5	40	HABB	in-vitro
CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](COS(=O)(=O)O)[C@H](O)[C@@H]1O	109564958	UGJNMWVITHXKNR-MBJXGIAVSA-N	422.368	-1.256	5	40	HABB	in-vitro
CN(C)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC(N)=O)cc1[N+](=O)[O-]	9512215	SKZFCZIMTLCTAO-UHFFFAOYSA-N	403.373	-1.323	5	40	HABB	
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C	4353343	RPADDAUXKBBASM-RJZRQDKASA-N	406.395	-2.363	5	40	HABB	
CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](COS(=O)(=O)O)[C@H](O)[C@H]1O	247662615	UGJNMWVITHXKNR-IKOXMDCHSA-N	422.368	-1.256	5	40	HABB	in-vitro
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	4430698	WJPLSTABBCGIQS-QNQPIPONSA-N	424.399	-1.187	5	40	HABB	
O=c1nc2n(C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c3ccc(Cl)cc3nc-2c(=O)[nH]1	4430764	ATUPVFGMRCAOBV-FPQZTECRSA-N	412.786	-2.326	5	40	HABB	
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	4430696	WJPLSTABBCGIQS-FMRNTLLBSA-N	424.399	-1.187	5	40	HABB	
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	4430697	WJPLSTABBCGIQS-VBKWPLKRSA-N	424.399	-1.187	5	40	HABB	
CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H]1O	247662616	UGJNMWVITHXKNR-XHJNMGKDSA-N	422.368	-1.256	5	40	HABB	in-vitro
NC(=O)NC(=O)COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	9316025	ZIOKNBXKBIBIJC-ONGXEEELSA-N	416.368	-1.543	5	40	HABB	
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C	4353342	RPADDAUXKBBASM-MYZSUADSSA-N	406.395	-2.363	5	40	HABB	
NC(=O)C(Cn1c(SC(C(N)=O)C(N)=O)nc2cc([N+](=O)[O-])ccc21)C(N)=O	19141890	XDHOYJZPESJUHU-UHFFFAOYSA-N	409.384	-2.037	5	40	HABB	
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@H](COS(=O)(=O)O)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1	584578741	UGJNMWVITHXKNR-PEDHHIEDSA-N	422.368	-1.256	5	40	HABB	
CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	19330117	FQZUBSBSVVDWLO-KWRLTHHHSA-N	406.392	-3.550	5	40	HABB	
COCCNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	9600309	VJUCLEVLFDJUBX-ZDUSSCGKSA-N	416.412	-1.179	5	40	HABB	
CC(=O)N[C@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O	35645786	UGJNMWVITHXKNR-MRTXSQPYSA-N	422.368	-1.256	5	40	HABB	
CC(=O)N[C@@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O	35645789	UGJNMWVITHXKNR-QNSTZXKLSA-N	422.368	-1.256	5	40	HABB	
Cn1nc([N+](=O)[O-])nc1N(CCN(c1nc([N+](=O)[O-])nn1C)[N+](=O)[O-])[N+](=O)[O-]	97965966	MAOLELKBUCWWLA-UHFFFAOYSA-N	402.244	-1.544	5	40	HABB	
CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO	19332133	FQZUBSBSVVDWLO-PLKKEYROSA-N	406.392	-3.550	5	40	HABB	
O=c1nc2n(C[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c3ccc(Cl)cc3nc-2c(=O)[nH]1	4430762	ATUPVFGMRCAOBV-VCDKRKBESA-N	412.786	-2.326	5	40	HABB