smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1c(Cl)cc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(C)cccc1C	1031365	CBWBENNKCRRYEV-UHFFFAOYSA-N	407.810	3.844	5	30	HHBC	
COc1ccc(CCNC(=O)CSc2ccc([N+](=O)[O-])cc2Cl)cc1OC	1024783	JCYKDIRNGUCLGM-UHFFFAOYSA-N	410.879	3.716	5	30	HHBC	
CC(C)N(C[C@@H](O)COc1cccc2ccccc12)c1ccc([N+](=O)[O-])c2nonc12	238791313	HPPUPADAXQRLDZ-MRXNPFEDSA-N	422.441	3.939	5	30	HHBC	
O=[N+]([O-])c1ccc(NC(=S)N[C@H]2c3c(ccc4ccccc34)OC[C@H]2CO)cc1	6393466	RWLPDQABUIAHIV-JLTOFOAXSA-N	409.467	3.777	5	30	HHBC	
COc1ccc([N+](=O)[O-])c(OC)c1C(=O)Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	2162681	HENSUAPRGGXFCG-UHFFFAOYSA-N	416.264	3.758	5	30	HHBC	
CC(C)N(C[C@H](O)COc1cccc2ccccc12)c1ccc([N+](=O)[O-])c2nonc12	238791315	HPPUPADAXQRLDZ-INIZCTEOSA-N	422.441	3.939	5	30	HHBC	
O=[N+]([O-])[C@@H](C=NOCc1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1	254351700	MHQIVYCLGBZKLL-OAHLLOKOSA-N	403.243	3.573	5	30	HHBC	
O=[N+]([O-])c1ccc(C[C@H](O)N2CCN(c3nc4ccc(Cl)cc4s3)CC2)cc1	1023600	NOLLQEWYOWVTOO-SFHVURJKSA-N	418.906	3.541	5	30	HHBC	
Cc1onc(-c2ccccc2)c1C(=O)OCCOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	3170806	RAAYQSATDQVNHI-UHFFFAOYSA-N	413.342	3.702	5	30	HHBC	
CCc1cccc(CC)c1NC(=O)NC(=O)c1c(OC)ccc([N+](=O)[O-])c1OC	1023885	DETILDSOYQGHRJ-UHFFFAOYSA-N	401.419	3.699	5	30	HHBC	
Cc1ccc(-n2nnnc2SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(C)c1	3128794	JTSAJVDAWDOPLV-UHFFFAOYSA-N	409.431	3.530	5	30	HHBC	
O=[N+]([O-])[C@H](C=NOCc1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1	254351692	MHQIVYCLGBZKLL-HNNXBMFYSA-N	403.243	3.573	5	30	HHBC	
O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccc(Cl)c(Cl)c3)CC2)nc1	20405973	HOBPIWXSMFTYDZ-UHFFFAOYSA-N	412.302	3.816	5	30	HHBC	
COc1ccc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1cc(Cl)cc(Cl)c1	1023881	ZBTNBQOBRBUENP-UHFFFAOYSA-N	414.201	3.881	5	30	HHBC	
CCOC(=O)c1cc2ccccc2n1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	6403694	NTAHLHAGCGYQHB-UHFFFAOYSA-N	408.819	3.617	5	30	HHBC	
COc1cc([N+](=O)[O-])c(OC)cc1SCc1nnc(S)n1-c1ccc(F)cc1	15923543	CODNVWUHDWSLPJ-UHFFFAOYSA-N	422.463	3.913	5	30	HHBC	
Cc1c2nc3ccc(N(C)C)cc3n(-c3cccc(S(=O)(=O)O)c3)c-2cc(=N)c1C	604935373	OACXLMJLRGRIFA-UHFFFAOYSA-N	422.510	3.539	5	30	HHBC	
O=[N+]([O-])c1cc(Cl)ccc1CS(=O)(=O)Cc1ccc(Cl)cc1[N+](=O)[O-]	38609569	UHMZHFGNMWZRJC-UHFFFAOYSA-N	405.215	3.925	5	30	HHBC	
C[N+](C)(C)CCO[P@](=O)(O)Oc1c[nH]c2cc(Cl)c(Br)cc12	15205364	NZAYYRWXAYVGMD-UHFFFAOYSA-O	412.628	3.786	5	30	HHBC	
COc1cc2cc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)nc(C)c2cc1OC	8649190	BFQCXYPBWBBRJF-UHFFFAOYSA-N	418.427	3.545	5	30	HHBC	
Cc1cc(C)n2nc(Sc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])nc2n1	3119872	VCFOTLSGRFFEMV-UHFFFAOYSA-N	414.325	3.728	5	30	HHBC	
O=[N+]([O-])c1ccc(C[C@@H](O)N2CCN(c3nc4ccc(Cl)cc4s3)CC2)cc1	1023602	NOLLQEWYOWVTOO-GOSISDBHSA-N	418.906	3.541	5	30	HHBC	
O=C(c1c(F)cccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cccc2)CC1	4307384	HWIPNLCHOIGBEC-UHFFFAOYSA-N	412.396	3.626	5	30	HHBC	
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1nc(C(F)(F)F)n[nH]1	13656640	VMGMYZKRAXHYGD-UHFFFAOYSA-N	403.220	3.810	5	30	HHBC	
O=[N+]([O-])c1ccc(NC(=S)N[C@@H]2c3c(ccc4ccccc34)OC[C@H]2CO)cc1	6393471	RWLPDQABUIAHIV-VLIAUNLRSA-N	409.467	3.777	5	30	HHBC	
COc1cc([N+](=O)[O-])c(OC)cc1SCc1nnc(-c2cccc([N+](=O)[O-])c2)o1	3126450	FDDUPBKJYFVJNQ-UHFFFAOYSA-N	418.387	3.863	5	30	HHBC	
O=[N+]([O-])c1ccc(NC(=S)N[C@H]2c3c(ccc4ccccc34)OC[C@@H]2CO)cc1	6393469	RWLPDQABUIAHIV-VBKZILBWSA-N	409.467	3.777	5	30	HHBC	
COc1cccc(OC)c1C(=O)NC(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	8626759	PMTPZSLDHWRZDM-UHFFFAOYSA-N	414.201	3.881	5	30	HHBC	
COc1ccc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1Br	1041621	DRYJGHWTNVMWTD-RIYZIHGNSA-N	403.188	3.710	5	30	HHBC	
O=C(Nc1ccccc1C(F)(F)F)N1CCCN(c2ncccc2[N+](=O)[O-])CC1	20405950	IQNLRTBLBAZQKQ-UHFFFAOYSA-N	409.368	3.753	5	30	HHBC	
Cc1ccc(NC(=S)N2CCCN(c3ncccc3[N+](=O)[O-])CC2)cc1Cl	20405983	RSTRZFFCYNZIGP-UHFFFAOYSA-N	405.911	3.861	5	30	HHBC	
CCNc1nc(SCc2ccc([N+](=O)[O-])cc2)nc2nc(N(CC)CC)ncc12	1036577	GTPMWAPCGBGCGA-UHFFFAOYSA-N	413.507	3.898	5	30	HHBC	
O=C(OCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc2ccccc2oc1=O	8629231	GOVHURSKKUDKCZ-UHFFFAOYSA-N	422.315	3.989	5	30	HHBC	
COc1ccc(CCN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc1OC	4381485	MZQNYMILMCVOEQ-UHFFFAOYSA-N	406.394	3.604	5	30	HHBC	
Cn1c(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])nnc1C(F)(F)F	12368210	IFYXWLHJIQUYTC-UHFFFAOYSA-N	417.247	3.820	5	30	HHBC	
COc1ccc(Cl)cc1NC(=S)N1CCCN(c2ncccc2[N+](=O)[O-])CC1	20405987	YKIHGXICTULKSV-UHFFFAOYSA-N	421.910	3.561	5	30	HHBC	
C[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC(=O)c1ccc([N+](=O)[O-])o1	4300263	GAVSEPKKDLHEFZ-MRVPVSSYSA-N	403.269	3.772	5	30	HHBC	
CCOC(=O)[C@H](c1ccccc1)C1(C[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1	91353207	OHHLNFHGUCGGJP-KRWDZBQOSA-N	406.479	3.627	5	30	HHBC	
Cc1nn(Cc2nnc(SCc3c(F)cccc3Cl)n2C)c(C)c1[N+](=O)[O-]	1038233	VWRPGTANKACDPE-UHFFFAOYSA-N	410.862	3.670	5	30	HHBC	
O=[N+]([O-])c1ccc(Oc2cc(S(=O)(=O)c3ccccc3)ccc2[N+](=O)[O-])nc1	6059192	UJKRAIRJWFBXQN-UHFFFAOYSA-N	401.356	3.523	5	30	HHBC	
COc1ccc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1ccc(Cl)c(Cl)c1	12339314	CTLZIFZZRIGYBO-UHFFFAOYSA-N	414.201	3.881	5	30	HHBC	
C[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC(=O)c1ccc([N+](=O)[O-])o1	4300262	GAVSEPKKDLHEFZ-QMMMGPOBSA-N	403.269	3.772	5	30	HHBC	
CN(CCOC(=O)c1ccc([N+](=O)[O-])cc1)c1ncc(C(F)(F)F)cc1Cl	20230197	IGABSDLGQMGFQF-UHFFFAOYSA-N	403.744	3.955	5	30	HHBC	
Cc1nc2ccccn2c1-c1ccnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1	1031565	BDZQFDJKHFIJHB-UHFFFAOYSA-N	405.439	3.983	5	30	HHBC	
CCOC(=O)[C@@H](c1ccccc1)C1(C[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1	91353205	OHHLNFHGUCGGJP-QGZVFWFLSA-N	406.479	3.627	5	30	HHBC