smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1cc(C)c([N+](=O)[O-])c(Cl)c1	199776661	MKRBHWVTZIIMIT-UHFFFAOYSA-N	185.610	2.865	5	30	AFBC	
C[N@@+]1(Cc2ccccc2)C=CC=CC1	256013934	YPLACFZZMRDYLC-CQSZACIVSA-N	186.278	2.717	5	30	AFBC	
Cc1cc(C)c2[nH]ccc2c1[N+](=O)[O-]	44700012	MTODENNQRUCIFR-UHFFFAOYSA-N	190.202	2.693	5	30	AFBC	in-vitro
c1ccc2c(c1)ccc1ccnnc12	32221442	DMMLYDCVMZEUMT-UHFFFAOYSA-N	180.210	2.783	5	30	AFBC	
O=c1ccc2c(ccc3ccccc32)o1	6118510	FXRDPPFLWGSMQT-UHFFFAOYSA-N	196.205	2.946	5	30	AFBC	
c1cc2c(ccc3cnccc32)cn1	39385058	SWSBZLMSDYTUAA-UHFFFAOYSA-N	180.210	2.783	5	30	AFBC	
CCSC(=C[N+](=O)[O-])SCC	5650988	WQFYZWXFKNXUQD-UHFFFAOYSA-N	193.293	2.568	5	30	AFBC	
O=[N+]([O-])[C@H]1CCC[C@H]1c1ccccc1	34454721	IIQIRJJNDNCDMQ-QWRGUYRKSA-N	191.230	2.599	5	30	AFBC	
Cc1cc(F)c([N+](=O)[O-])c(Cl)c1	306770929	QXOIPAPHOLXTAP-UHFFFAOYSA-N	189.573	2.696	5	30	AFBC	
O=[N+]([O-])c1cccc2c(Cl)coc12	95935334	VAVSLRGZYGHVRG-UHFFFAOYSA-N	197.577	2.994	5	30	AFBC	
CCCCc1ccc(O)c([N+](=O)[O-])c1	31351471	YNCKBAUMTMYXSC-UHFFFAOYSA-N	195.218	2.643	5	30	AFBC	
[C-]#[N+]c1c(O)ccc([N+](=O)[O-])c1Cl	238719547	LALSJGRNWXZJHW-UHFFFAOYSA-N	198.565	2.505	5	30	AFBC	
Cc1ccc(Cl)c(C)c1[N+](=O)[O-]	118146270	ADRVFIZSNISDMU-UHFFFAOYSA-N	185.610	2.865	5	30	AFBC	
Cc1cc(C)c(/C=C/[N+](=O)[O-])c(C)c1	2244106	AFHLPYVSGULXDW-SNAWJCMRSA-N	191.230	2.859	5	30	AFBC	
Nc1ccc2c(c1)ncc1ccccc12	5162919	APQODMSXQCBFHE-UHFFFAOYSA-N	194.237	2.970	5	30	AFBC	
O=[N+]([O-])c1c(Cl)ccc2occc12	84306201	UVLGIURZZHHJFV-UHFFFAOYSA-N	197.577	2.994	5	30	AFBC	
C[N@+]1(Cc2ccccc2)C=CC=CC1	256013933	YPLACFZZMRDYLC-AWEZNQCLSA-N	186.278	2.717	5	30	AFBC	
Cc1cc2c(F)ccc([N+](=O)[O-])c2[nH]1	97463347	ZYORUXPQAKOYLB-UHFFFAOYSA-N	194.165	2.524	5	30	AFBC	
[C-]#[N+]c1c(O)cc([N+](=O)[O-])cc1Cl	238704286	QQCCWPLHGYOEIG-UHFFFAOYSA-N	198.565	2.505	5	30	AFBC	
Cc1c([N+](=O)[O-])ccc2scnc12	45236394	SJNUPSZBOVAZOR-UHFFFAOYSA-N	194.215	2.513	5	30	AFBC	
Nc1cc2ccccc2c2cccnc12	238629156	YAIZPHHPRUNDJN-UHFFFAOYSA-N	194.237	2.970	5	30	AFBC	
Nc1cnc2ccc3ccccc3c2c1	33857639	WTOZDOKOAJOGKT-UHFFFAOYSA-N	194.237	2.970	5	30	AFBC	
C=Cc1ccccc1[N+](C)(C)C	60240143	GCIFKRCWHWDETA-UHFFFAOYSA-N	162.256	2.526	5	30	AFBC	
COc1ccc([N+](=O)[O-])cc1C(C)C	21987977	CFNOXOUAIAUFMI-UHFFFAOYSA-N	195.218	2.727	5	30	AFBC	in-vitro
O=[N+]([O-])c1ccc(Cl)c2ccoc12	6092299	SPBKEYGNLBGTTJ-UHFFFAOYSA-N	197.577	2.994	5	30	AFBC	
COc1c(C)cc(C)c([N+](=O)[O-])c1C	32233345	LDBLBZILEXGERJ-UHFFFAOYSA-N	195.218	2.529	5	30	AFBC