smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)C[C@@H]2Sc1ccc(Cl)cc1	1039408	QWRXSTSPNBVTHW-ZDUSSCGKSA-N	355.824	3.869	5	30	FHBC	
Cc1cc(=O)oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)cc12	1041854	TYRNAEUNMDRLHP-UHFFFAOYSA-N	359.721	3.882	5	30	FHBC	
CC[N+](C)(CC)CCOC(=O)[C@@H](C1CCCCC1)C1(O)CCCCC1	5651722	DPJYATUJXTWLTH-LJQANCHMSA-N	354.555	3.908	5	30	FHBC	
O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(Cl)cc1S(=O)(=O)O	6092021	DKAGODCVNALFNQ-UHFFFAOYSA-N	364.162	3.941	5	30	FHBC	
O=C(Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	2162649	WTUVBPSRSLGKLG-UHFFFAOYSA-N	356.212	3.741	5	30	FHBC	
O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2ccc(O)cc2)c([N+](=O)[O-])c1Cl	100389488	CXUNQKQBOXFIIE-UHFFFAOYSA-N	355.646	3.563	5	30	FHBC	
CCOc1nn2c(-c3ccc(Cl)c([N+](=O)[O-])c3)nnc2c2ccccc12	33891551	NPSKVXGZUYTHGK-UHFFFAOYSA-N	369.768	3.905	5	30	FHBC	
Cc1cc(C)c2c(n1)sc1c(=O)n(Cc3ccc([N+](=O)[O-])cc3)cnc12	1034706	QGRIJCUDZQNOND-UHFFFAOYSA-N	366.402	3.580	5	30	FHBC	
CCOC(=O)[C@@]1(C)C[C@@H](c2ccccc2[N+](=O)[O-])N(c2ccccc2)O1	85428138	PYIYVAOBJGYRBB-PKOBYXMFSA-N	356.378	3.800	5	30	FHBC	
CC(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)oc2ccccc2c1=O	3875999	WWBYDEQHYAEHLT-HNNXBMFYSA-N	353.330	3.518	5	30	FHBC	in-vitro
CCOC(=O)[C@@]1(C)C[C@H](c2ccccc2[N+](=O)[O-])N(c2ccccc2)O1	85428130	PYIYVAOBJGYRBB-IEBWSBKVSA-N	356.378	3.800	5	30	FHBC	
CC(=O)c1ccc(N2CCC(C(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1	4363468	ZXUTZRJPQXXGOD-UHFFFAOYSA-N	352.390	3.897	5	30	FHBC	
CCOC(=O)c1sc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1C	3129597	AXAPUSQHQVMXAX-UHFFFAOYSA-N	369.380	3.596	5	30	FHBC	
O=[N+]([O-])c1ccc(-c2nnnn2Cc2c(Cl)cccc2Cl)cc1	1027308	SZQJTKWQIKNUPL-UHFFFAOYSA-N	350.165	3.603	5	30	FHBC	
O=C(Nc1cccc([N+](=O)[O-])c1)c1csc(-c2ccc3c(c2)CCO3)n1	1046805	UVKMVWHQKJNFIU-UHFFFAOYSA-N	367.386	3.906	5	30	FHBC	
O=C(CCSc1nc2ccccc2o1)N1CCc2cc([N+](=O)[O-])ccc21	4336007	VUGVJEXKVCUINL-UHFFFAOYSA-N	369.402	3.808	5	30	FHBC	
CC(C)(C)OC(=O)N1CCc2c([N+](=O)[O-])ccc(Br)c2C1	536960008	RJVOMVKLYKZLAE-UHFFFAOYSA-N	357.204	3.651	5	30	FHBC	
O=[N+]([O-])c1ccc(CSc2cc(-c3ccccc3)nc3ncnn23)cc1	1035368	QBHNYRWYCQLKBR-UHFFFAOYSA-N	363.402	3.992	5	30	FHBC	
O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cccc(O)c2)c([N+](=O)[O-])c1Cl	111904583	APCPHDKQTSPRBK-UHFFFAOYSA-N	355.646	3.563	5	30	FHBC	
COc1cc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)nc(C)c2cc1OC	1043255	FESUFSYKKFXUFV-UHFFFAOYSA-N	368.345	3.688	5	30	FHBC	
CCOC(=O)Sc1nc(-c2cccc([N+](=O)[O-])c2)cn1C(=O)OCC	1025346	KGUHVPADKQXHMH-UHFFFAOYSA-N	365.367	3.712	5	30	FHBC	
CCOC(=O)[C@]1(C)C[C@H](c2ccccc2[N+](=O)[O-])N(c2ccccc2)O1	85428126	PYIYVAOBJGYRBB-MJGOQNOKSA-N	356.378	3.800	5	30	FHBC	
COCCOc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1	2144153	XRJYWLOCXCRRSK-UHFFFAOYSA-N	350.758	3.526	5	30	FHBC	
CC(=O)C[C@@H](c1ccccc1[N+](=O)[O-])c1c(O)c2ccccc2oc1=O	13657947	WCFYPFLSAIBZSA-AWEZNQCLSA-N	353.330	3.518	5	30	FHBC	
O=[N+]([O-])c1ccc(-c2csc(COc3ccc4nonc4c3)n2)cc1	1039238	PRLWNOLCJWTWPI-UHFFFAOYSA-N	354.347	3.834	5	30	FHBC	
Cc1c2c(=O)n(C)ncc2c(-c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1	1047130	ZJANPEXQDJYYML-UHFFFAOYSA-N	360.373	3.608	5	30	FHBC	
CCN(C(=O)N(CC)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	5650361	PJTRUXHYQYQMTG-UHFFFAOYSA-N	358.354	3.976	5	30	FHBC	
COc1ccc(Oc2c(Cl)cnn(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1	1023866	ZHPPQMDWXISWHI-UHFFFAOYSA-N	373.752	3.595	5	30	FHBC	
CC(=O)Oc1cccc2cc3cccc(OC(C)=O)c3c(OC(C)=O)c12	538488	IPWOSICBVUXMML-UHFFFAOYSA-N	352.342	3.769	5	30	FHBC	biogenic
O=C(CSc1nnc(Cc2ccsc2)o1)c1cccc([N+](=O)[O-])c1	2150539	WJCJVHLQRHCVAH-UHFFFAOYSA-N	361.404	3.605	5	30	FHBC	
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)C[C@H]2Sc1ccc(Cl)cc1	4362757	QWRXSTSPNBVTHW-CYBMUJFWSA-N	355.824	3.869	5	30	FHBC	
COC(=O)c1sccc1Oc1ccc(Br)cc1[N+](=O)[O-]	2265356009	CCLZDQQMBIOLTQ-UHFFFAOYSA-N	358.169	3.998	5	30	FHBC	
O=[N+]([O-])c1cccc(-c2csc(CS(=O)(=O)c3cccs3)n2)c1	2150118	QTHJGVHVWXMEGV-UHFFFAOYSA-N	366.445	3.754	5	30	FHBC	
COc1ccc(C(=O)[C@H]2OC(C)(C)O[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	4336535	QXEIMXHGZYEQHJ-ZWKOTPCHSA-N	357.362	3.679	5	30	FHBC	
CC[N+](C)(CC)CCOC(=O)[C@H](C1CCCCC1)C1(O)CCCCC1	31283422	DPJYATUJXTWLTH-IBGZPJMESA-N	354.555	3.908	5	30	FHBC	
N=c1ccc2c(-c3ccc(C(=O)O)cc3C(=O)O)c3ccc(N)cc3oc-2c1	36294262	ONTCUDVUGYVDSS-UHFFFAOYSA-N	374.352	3.663	5	30	FHBC	in-vitro
O=C(NC(=O)c1csc([N+](=O)[O-])c1)Nc1ccccc1C(F)(F)F	4323493	HZRIXRYJZQISBR-UHFFFAOYSA-N	359.285	3.637	5	30	FHBC	
Cc1c(Cl)cccc1NC=C([N+](=O)[O-])S(=O)(=O)c1ccccc1	2265269962	FFONXRQLAUNSMZ-UHFFFAOYSA-N	352.799	3.610	5	30	FHBC	
O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1F	4336304	JOWGBNCCWAWTEB-UHFFFAOYSA-N	371.290	3.595	5	30	FHBC	
Nc1nnc(Sc2cc(-n3cccc3)c(Cl)cc2[N+](=O)[O-])s1	4336251	HDQXDNODMAUJHA-UHFFFAOYSA-N	353.816	3.624	5	30	FHBC	
O=C1NC(=O)c2cc([N+](=O)[O-])c(Sc3c(Cl)cccc3Cl)cc21	1046851	VSEGRTGBLATJAW-UHFFFAOYSA-N	369.185	3.936	5	30	FHBC	
CC(C)C(=O)OCC[N+](C)(C)Cc1ccc(C(=O)c2ccccc2)cc1	585669834	MYBWTCSSOFRNHL-UHFFFAOYSA-N	354.470	3.693	5	30	FHBC	
COc1ccccc1-n1c(S)nnc1CSc1ccccc1[N+](=O)[O-]	1025165	CXXYJBLDQJZOTE-UHFFFAOYSA-N	374.447	3.765	5	30	FHBC	
CC(C)(C)OC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1	310006409	VRRHHHUEYIJZCZ-UHFFFAOYSA-N	357.204	3.651	5	30	FHBC	
COc1cc(C=CC(=O)Nc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC	2265259435	WEAZHOVLUBJUPA-UHFFFAOYSA-N	362.769	3.917	5	30	FHBC	
COc1ccc([N+](=O)[O-])c(OC)c1C(=O)Nc1ccc(F)c(Cl)c1	1040721	RHCZMKLMACJNNS-UHFFFAOYSA-N	354.721	3.657	5	30	FHBC	
CC(=O)C[C@H](c1ccccc1[N+](=O)[O-])c1c(O)c2ccccc2oc1=O	13657949	WCFYPFLSAIBZSA-CQSZACIVSA-N	353.330	3.518	5	30	FHBC	
Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1	3131792	CMMAHZYWZCEIIM-UHFFFAOYSA-N	362.190	3.978	5	30	FHBC	
Cc1cc(C)n2nc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2n1	1047301	WORIHHHXVYMFMK-UHFFFAOYSA-N	369.328	3.819	5	30	FHBC	
CC(C)(C)OC(=O)NC1(c2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1	685945564	UMGDWWCLWZGEBQ-UHFFFAOYSA-N	356.806	3.779	5	30	FHBC	
O=C(Nc1ccc2oc3ncccc3c(=O)c2c1)c1ccc([N+](=O)[O-])cc1	1042511	JLQVNIZLFSKGKT-UHFFFAOYSA-N	361.313	3.502	5	30	FHBC	
O=C(Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1	2162643	POFIBBOMMXQGIP-UHFFFAOYSA-N	374.202	3.880	5	30	FHBC	
CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)oc2ccccc2c1=O	3876000	WWBYDEQHYAEHLT-OAHLLOKOSA-N	353.330	3.518	5	30	FHBC	in-vitro
O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2ccccc2O)c([N+](=O)[O-])c1Cl	111904585	HUVGOOBXOSSKNM-UHFFFAOYSA-N	355.646	3.563	5	30	FHBC	
CCOC(=O)[C@]1(C)C[C@@H](c2ccccc2[N+](=O)[O-])N(c2ccccc2)O1	85428134	PYIYVAOBJGYRBB-HKUYNNGSSA-N	356.378	3.800	5	30	FHBC	
COCCOc1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	3180765	VHCFQSDVOKPIPY-UHFFFAOYSA-N	350.758	3.526	5	30	FHBC	
Cn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1C(F)(F)F	1043301	LBMYTUADEMAGQV-UHFFFAOYSA-N	372.250	3.912	5	30	FHBC	
CCN(CC)CCn1c(Cc2ccc(O)cc2)nc2cc([N+](=O)[O-])ccc21	2265384847	KWJGAOHXZYKBKR-UHFFFAOYSA-N	368.437	3.583	5	30	FHBC	
CC(=O)Oc1ccc2c(c1)oc(=O)c1c3ccc(OC(C)=O)cc3oc21	1696426	AHOLUZZXIVWXQQ-UHFFFAOYSA-N	352.298	3.543	5	30	FHBC	biogenic,in-vitro
CCOC(=O)c1ccccc1Nc1ccc([N+](=O)[O-])cc1C(=O)OCC	4361846	ROJNMMLKKBWUGN-UHFFFAOYSA-N	358.350	3.692	5	30	FHBC	
CCn1nc(C)c([N+](=O)[O-])c1C(=O)Sc1cccc(Br)c1	1047703	QSJXLJYWLKLFBU-UHFFFAOYSA-N	370.228	3.815	5	30	FHBC	
CC(=O)c1ccc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2c1	498051055	FCHBXXRVQQKFDR-UHFFFAOYSA-N	370.386	3.751	5	30	FHBC	
CCn1c(=O)c(/C=C/c2ccc([N+](=O)[O-])o2)c(OC(C)=O)c2ccccc21	33984043	FMHXOOUSZWESDI-CSKARUKUSA-N	368.345	3.618	5	30	FHBC	
O=[N+]([O-])c1ccc(Sc2nccc(-c3cccnc3)n2)c([N+](=O)[O-])c1	2157638	DAIIEXYBHRRDGT-UHFFFAOYSA-N	355.335	3.506	5	30	FHBC	
O=C(Nc1ccncc1)c1cc([N+](=O)[O-])ccc1Sc1ccccn1	1025184	HICVGBRCPYFQTD-UHFFFAOYSA-N	352.375	3.788	5	30	FHBC	
Cc1ccc2cccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2n1	2162731	APPNFIWNYVCWBH-UHFFFAOYSA-N	358.375	3.528	5	30	FHBC	
O=C(Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1F	2162748	FSHVVNAKCKQLLY-UHFFFAOYSA-N	374.202	3.880	5	30	FHBC