smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCCSc1cc(Oc2ccc([N+](=O)[O-])cc2)ccc1Cl	5837351	SPJLQKZVWZEOOR-UHFFFAOYSA-N	323.801	5.543	5	30	DKBC	
CC[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)CC	38648095	VBSYTBGVTUOREL-UHFFFAOYSA-N	314.602	5.080	5	30	DKBC	
O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl	1841266	OQMMGSQEZLAGCX-UHFFFAOYSA-N	318.543	5.347	5	30	DKBC	
CC(=O)Oc1c2ccccc2c(C)c2c1cc(F)c1ccccc12	5765054	UTZNJYZRKXPKHA-UHFFFAOYSA-N	318.347	5.519	5	30	DKBC	
O=[N+]([O-])c1ccc(Oc2cc(Cl)cc(Cl)c2Cl)cc1	2598156	KBYDADZHZYSOFF-UHFFFAOYSA-N	318.543	5.347	5	30	DKBC	
Cc1cc(Oc2ccc([N+](=O)[O-])cc2)c(Cl)c(C)c1Cl	150554	HDCLVGDBPIPIEF-UHFFFAOYSA-N	312.152	5.311	5	30	DKBC	
Cc1cccc(C)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	90603	ZMHHOFDDRUSSSG-UHFFFAOYSA-N	311.259	5.023	5	30	DKBC	
CCCC[C@H](CC)C[N+](C)(CCCC)C[C@@H](CC)CCCC	141704491	YZXNWNAXHMRAQM-SFTDATJTSA-N	312.606	6.666	5	30	DKBC	
C[N@@+]12CCCC[C@H]1CC(=C(c1ccccc1)c1ccccc1)CC2	255987629	MJBFFCYNQYQIQK-UPVQGACJSA-N	318.484	5.281	5	30	DKBC	
C[N@+]12CCCC[C@H]1CC(=C(c1ccccc1)c1ccccc1)CC2	255987628	MJBFFCYNQYQIQK-LADGPHEKSA-N	318.484	5.281	5	30	DKBC	
CCCC[C@H](CC)C[N@@+](C)(CCCC)C[C@H](CC)CCCC	267331206	YZXNWNAXHMRAQM-ZBYYUNFXSA-N	312.606	6.666	5	30	DKBC	
O=[N+]([O-])c1cc(Cl)ccc1Oc1c(Cl)cccc1Cl	166533	JSYUNAXFOUQOKM-UHFFFAOYSA-N	318.543	5.347	5	30	DKBC	
CCCC[N+](C)(CCCCCC(C)C)CCCCCC(C)C	141735764	ZDMRNYKDBCRKOD-UHFFFAOYSA-N	312.606	6.666	5	30	DKBC	
O=[N+]([O-])c1ccc(Cc2ccc(Cl)cc2Cl)c(Cl)c1	33506755	CVIPZLAFYGJMQY-UHFFFAOYSA-N	316.571	5.146	5	30	DKBC	
Cc1ccc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	125328	DWSRNTSRZZAYLY-UHFFFAOYSA-N	313.300	5.073	5	30	DKBC	
O=[N+]([O-])c1ccc(SCc2csc3ccccc23)cc1	101262	RDOCCJJLWVLHIK-UHFFFAOYSA-N	301.392	5.102	5	30	DKBC	
CCCC[C@@H](CC)C[N+](C)(CCCC)C[C@H](CC)CCCC	141704637	YZXNWNAXHMRAQM-NHCUHLMSSA-N	312.606	6.666	5	30	DKBC	
O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2)cc1C(F)(F)F	150478	VRVZMFYGGLZBQO-UHFFFAOYSA-N	317.650	5.059	5	30	DKBC	
O=c1c2cccc3cccc(sc4cccc5cccc1c54)c32	1040983	KWRPBZZNBAKJPA-UHFFFAOYSA-N	312.393	5.721	5	30	DKBC	
c1ccc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc1	116914110	GGTXYOVKMNRYMW-UHFFFAOYSA-N	306.368	5.603	5	30	DKBC	
C[N@+]12CCCC[C@@H]1CC(=C(c1ccccc1)c1ccccc1)CC2	255987627	MJBFFCYNQYQIQK-ISKFKSNPSA-N	318.484	5.281	5	30	DKBC	
O=[N+]([O-])c1ccc(CSc2ccc(Cl)cc2)c(Cl)c1	120167	HDJSFRYICVCWLU-UHFFFAOYSA-N	314.193	5.194	5	30	DKBC	
Cc1cc(SCc2ccc([N+](=O)[O-])cc2)c(C)cc1Cl	120031	BREIOKJNIUJVJG-UHFFFAOYSA-N	307.802	5.157	5	30	DKBC	
O=[N+]([O-])c1ccc2ccc3ccc(O)c4c5ccccc5c1c2c34	6117816	JWOJCMLFEHGEJS-UHFFFAOYSA-N	313.312	5.351	5	30	DKBC	
O=[N+]([O-])c1ccccc1SCc1csc2ccccc12	101260	COULMMAQGISINS-UHFFFAOYSA-N	301.392	5.102	5	30	DKBC	
c1ccc2cc3cc4c(ccc5[nH]c6ccccc6c54)cc3cc2c1	6118949	XLXKLXYORIUTET-UHFFFAOYSA-N	317.391	6.781	5	30	DKBC	
O=C1O/C(=C\c2ccc3c(ccc4ccccc43)n2)c2ccccc21	44710010	JMTWWDIOGUSVMC-BKUYFWCQSA-N	323.351	5.057	5	30	DKBC	
c1ccc(-c2cn(-c3ccc4cc5ccccc5cc4c3)nn2)cc1	44137527	NZQZBUBWLROKHR-UHFFFAOYSA-N	321.383	5.241	5	30	DKBC	
CC(=O)OCc1c2ccccc2c2ccc3cccc4ccc1c2c43	5438082	AIXMKWLMVGVTGG-UHFFFAOYSA-N	324.379	5.800	5	30	DKBC	
CC(C)c1cc(Oc2ccc([N+](=O)[O-])cn2)cc(C(C)C)c1	92576	NPRZUHOIQQWTQP-UHFFFAOYSA-N	300.358	5.029	5	30	DKBC	
C[N@@+]12CCCC[C@@H]1CC(=C(c1ccccc1)c1ccccc1)CC2	255987630	MJBFFCYNQYQIQK-VWNXMTODSA-N	318.484	5.281	5	30	DKBC	
O=[N+]([O-])c1ccc2c3c(c4cccc5ccc1c2c54)CCCC3	6094609	NFWVIOMLXPIISE-UHFFFAOYSA-N	301.345	5.371	5	30	DKBC	
O=[N+]([O-])c1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1	113808	NQEQDDTTZLWISX-UHFFFAOYSA-N	316.769	5.039	5	30	DKBC	
C[N+](C)(C)CCCCCCCCCCCCCC[N+](C)(C)C	5764608	YLHAJLBDDIMJHL-UHFFFAOYSA-N	314.602	5.080	5	30	DKBC	
c1ccc2cc3cc4cc5c(cc4cc3cc2c1)[nH]c1ccccc15	6118950	AEVNDWITFKNVRU-UHFFFAOYSA-N	317.391	6.781	5	30	DKBC