smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[N+](C)(C)C[C@H](N)CC(N)=O	29233195	REGDYNAILOUUBN-ZCFIWIBFSA-O	160.241	-1.105	5	1	AABF	
C[N+]1(C)CC[N+](C)(C)[BH-]1C(O)O	195400856	NBNZPTHSEVQMHK-UHFFFAOYSA-N	175.061	-1.777	5	1	AABF	
[O-][N+]12CCC[C@@H](O)[C@@H]1[C@H](O)[C@H](O)C2	5134665	WXELLRXNGRTSJY-VARJHODCSA-N	189.211	-1.440	5	1	AABF	
CN(C)CC[N+](C)(C)[BH2-]C(O)O	221567097	HQGCNAYBLLCOTP-UHFFFAOYSA-N	176.069	-2.024	5	1	AABF	
C[N+]1(C)[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1CO	2178319878	GDKNHDQWVGVLFT-RULNZFCNSA-N	192.235	-2.480	5	1	AABF	
C[N+](C)(C)C[C@@H](N)CC(N)=O	29233188	REGDYNAILOUUBN-LURJTMIESA-O	160.241	-1.105	5	1	AABF	
O=C(O)C[C@@](O)(C[N+](=O)[O-])C(=O)O	2047628	MTIGFRIXIPBOPZ-RXMQYKEDSA-N	193.111	-1.447	5	1	AABF	in-vitro
C[N+]12CC=C(CO)[C@]1(O)[C@H](O)CC2	14618730	MHCDHCVYFDHGEB-ZDGBYWQASA-N	186.231	-1.182	5	1	AABF	
O=C(O)C[C@@H]([C@@H](O)C(=O)O)[N+](=O)[O-]	2047023	ZTJSGPUFCRRTOT-ZAFYKAAXSA-N	193.111	-1.448	5	1	AABF	in-vitro
Nc1c([N+](=O)[O-])[nH]c(=O)[nH]c1=O	6452765	CLOSWQFGCBFNCK-UHFFFAOYSA-N	172.100	-1.446	5	1	AABF	in-vivo