smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
OC[C@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl	4654665	BAQAVOSOZGMPRM-QBMZZYIRSA-N	397.635	-1.656	50	50	GAGA	biogenic,world
OC[C@@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1Cl	141390521	BAQAVOSOZGMPRM-IJVVWVSMSA-N	397.635	-1.656	50	50	GAGA	endogenous,in-man
O=C(NN[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O)c1cccc(Br)c1	239203260	SAUUPMYHNKIGQG-UYNYGYNWSA-N	377.191	-1.517	50	50	GAGA	
O=C(NN[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1cccc(Br)c1	239203261	SAUUPMYHNKIGQG-VFZGUZRASA-N	377.191	-1.517	50	50	GAGA	
O=Cc1cc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1B(O)O	2325873382	FSBOOOCNMGTMSD-LBPRGKRZSA-N	382.203	-2.398	50	50	GAGA	
O=C(CN1CCS(=O)(=O)CC1)NNS(=O)(=O)c1ccccc1[N+](=O)[O-]	12959284	ARXXFHSIXWUEGJ-UHFFFAOYSA-N	392.415	-1.365	50	50	GAGA	
OC[C@@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl	72400512	BAQAVOSOZGMPRM-OAWSVRQRSA-N	397.635	-1.656	50	50	GAGA	endogenous,in-man
OC[C@@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1Cl	253475965	BAQAVOSOZGMPRM-AWXGPMDLSA-N	397.635	-1.656	50	50	GAGA	endogenous,in-man
O=Cc1cc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1B(O)O	2325873381	FSBOOOCNMGTMSD-GFCCVEGCSA-N	382.203	-2.398	50	50	GAGA	
O=C(NN[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c1cccc(Br)c1	239203259	SAUUPMYHNKIGQG-OOTJXSFTSA-N	377.191	-1.517	50	50	GAGA	
CC(=O)NNC(=O)c1nonc1NCNc1nonc1C(=O)NNC(C)=O	104737111	OQWGWGRCQFZLCI-UHFFFAOYSA-N	382.297	-2.504	50	50	GAGA	
C[C@]1(O)CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12	238758495	HDUJICSWDUDSBC-CPHXJRJZSA-N	376.358	-2.866	50	50	GAGA	biogenic
CCO[Si](CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)(OCC)OCC	169991488	RGFDUEXNZLUZGH-YIYPIFLZSA-N	399.513	-2.023	50	50	GAGA	
COC(=O)[C@H]1C[C@H](n2cc(CNC(=O)c3ccc(B(O)O)c(C=O)c3)nn2)C1	2325873456	HUDJNDQSFKRVDZ-YEORSEQZSA-N	386.173	-1.176	50	50	GAGA	
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3918137	PSVUJBVBCOISSP-SPFKKGSWSA-N	383.165	-1.432	50	50	GAGA	world
O=C(NN[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)c1cccc(Br)c1	239203258	SAUUPMYHNKIGQG-ATFQUMLSSA-N	377.191	-1.517	50	50	GAGA