smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
N=Nc1ccc2occn12	2356650498	IGBVJDGONUIFFT-UHFFFAOYSA-N	135.126	2.195	10	1	AECF	
C=C/[N+]([O-])=N/CCc1ccccc1	1857612191	VUZLGYWLCVTCQK-QXMHVHEDSA-N	176.219	2.335	10	1	AECF	
N=Nc1coc2c[nH]cc12	2356535532	CEQWUYLITVZPPT-UHFFFAOYSA-N	135.126	2.423	10	1	AECF	
N=Nc1cc2c[nH]oc-2c1	2356632584	ONLMJQVNIQUSMX-UHFFFAOYSA-N	135.126	2.375	10	1	AECF	
CC(C)=C[C@@H]1CC(=[N+]=[N-])C(=O)C1(C)C	17214282	PRKDHVPTFCQLAG-MRVPVSSYSA-N	192.262	2.239	10	1	AECF	
N=Nn1cc2ccoc2c1	2356702782	SYMDWRPWBLMGND-UHFFFAOYSA-N	135.126	2.028	10	1	AECF	
N=Nc1cc2ccon2c1	2356416609	ZNYUNGCCYBLBAZ-UHFFFAOYSA-N	135.126	2.195	10	1	AECF	
N=Nc1ccn2ccoc12	2356283300	KVBKNFKWWDAXDS-UHFFFAOYSA-N	135.126	2.195	10	1	AECF	
CC(=O)c1coc2c(O)c(O)ccc12	2481967	KVTRROMZLZQVHJ-UHFFFAOYSA-N	192.170	2.047	10	1	AECF	
CC(=O)c1cc2c(O)c(O)ccc2o1	199136	WYJZNQIVRNPORS-UHFFFAOYSA-N	192.170	2.047	10	3	AECF	
N=Nc1cc2ccoc2[nH]1	2356283749	ALFADIQJBUBIAS-UHFFFAOYSA-N	135.126	2.423	10	1	AECF	
N=Nn1ccc2ccoc21	2356285446	LBSVSOPWCWUOCP-UHFFFAOYSA-N	135.126	2.028	10	1	AECF	
N=Nc1coc2[nH]ccc12	2356363836	MUHLVKHJVXLNPB-UHFFFAOYSA-N	135.126	2.423	10	1	AECF	
N=Nc1cc2cc[nH]c2o1	2356284042	LRMXBYKWXRMBSI-UHFFFAOYSA-N	135.126	2.423	10	1	AECF	
N=Nc1cc2c[nH]cc2o1	2356283199	HSHFLTDGOBKNFV-UHFFFAOYSA-N	135.126	2.423	10	1	AECF	
N=Nc1cc2cccn2o1	2356313889	JQCVEEQFLCGJNP-UHFFFAOYSA-N	135.126	2.195	10	1	AECF	
N=Nc1ccn2occc12	2356283241	JPNSOFSSBGCWGU-UHFFFAOYSA-N	135.126	2.195	10	1	AECF	
c1ccc(N=NN2CCOCC2)cc1	256012922	YEIJBNMGYCYMKI-UHFFFAOYSA-N	191.234	2.018	10	3	AECF	
N=Nc1occ2[nH]ccc12	2356726799	WJZLWSLDNOWFCD-UHFFFAOYSA-N	135.126	2.423	10	1	AECF	
CC(C)=C[C@H]1CC(=[N+]=[N-])C(=O)C1(C)C	5812295	PRKDHVPTFCQLAG-QMMMGPOBSA-N	192.262	2.239	10	1	AECF	
CC1(C)OC(C)(C)C(N=N)=C1O	5423706	QNZKPXDRDGZWRO-UHFFFAOYSA-N	170.212	2.374	10	1	AECF	
CN(C)/N=N\c1ccc2[nH]cnc2c1	100174242	JIWVDIFFDXRHMX-SEYXRHQNSA-N	189.222	2.123	10	1	AECF	
N=Nn1ccc2occc21	2356283826	CHMJKFJDGISJCW-UHFFFAOYSA-N	135.126	2.028	10	1	AECF	
N=Nc1ccc2ccon12	2356283576	UBYOZRDJAIQIIE-UHFFFAOYSA-N	135.126	2.195	10	1	AECF	
N=Nc1cn2cccc2o1	2356283498	QCUMZJOOJAGDLO-UHFFFAOYSA-N	135.126	2.195	10	1	AECF	
S=Cc1ccccc1	14766199	ACOOSTZBTYEGER-UHFFFAOYSA-N	122.192	2.034	10	1	AECF	
N=Nc1cc2occn2c1	2356608246	JJOAIWCYZVSAGR-UHFFFAOYSA-N	135.126	2.195	10	1	AECF	
N=Nc1con2cccc12	2356433303	GISQELILVWNLPD-UHFFFAOYSA-N	135.126	2.195	10	1	AECF	
CC(=O)c1ccccc1/N=N/N(C)C	18009951	TYWYLUQAJYDVJZ-VAWYXSNFSA-N	191.234	2.450	10	1	AECF	
N=Nc1cc2cocc2[nH]1	2356690889	OVVFRISIZUJLQS-UHFFFAOYSA-N	135.126	2.423	10	1	AECF	
N=Nc1o[nH]c2cccc1-2	2356283680	WWDBFIIESWUOPW-UHFFFAOYSA-N	135.126	2.375	10	1	AECF	
N=Nc1[nH]oc2cccc1-2	2356607024	MYVPAUALRPKCEV-UHFFFAOYSA-N	135.126	2.375	10	1	AECF	
N=Nc1coc2cccn12	2356283311	LAOLDEOFNNNYQV-UHFFFAOYSA-N	135.126	2.195	10	1	AECF	
N=Nc1cc2co[nH]c-2c1	2356284418	ZVBDQZWTQHSERA-UHFFFAOYSA-N	135.126	2.375	10	1	AECF	
N=Nc1occ2cc[nH]c12	2356620834	GGGJCUIRNNTPQS-UHFFFAOYSA-N	135.126	2.423	10	1	AECF	
N=Nn1ccc2cocc21	2356321673	KKRYYJGDSDSLOW-UHFFFAOYSA-N	135.126	2.028	10	1	AECF	
N=Nc1coc2cc[nH]c12	2356572876	RFMUOTGTXTXKRY-UHFFFAOYSA-N	135.126	2.423	10	1	AECF