smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@@H]1C[C@H](O)[C@H](O)[C@H](Nc2ccccc2N[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)O1	245257371	YVOCVTUPLXAKTB-WLHUVYLBSA-N	384.429	-0.805	10	50	GBCA	
C[C@@H]1C[C@H](O)[C@H](O)[C@H](Nc2ccccc2N[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@H]2O)O1	245257370	YVOCVTUPLXAKTB-LTBMTXDSSA-N	384.429	-0.805	10	50	GBCA	
C[C@@H]1C[C@H](O)[C@H](O)[C@H](Nc2ccccc2N[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)O1	245257372	YVOCVTUPLXAKTB-ZNYMWHADSA-N	384.429	-0.805	10	50	GBCA	
CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(N)cc4)ncnc32)[C@H](O)[C@@H]1O	4475069	LDYMCRRFCMRFKB-MOROJQBDSA-N	399.411	-0.614	10	50	GBCA	in-vitro
CN1C(=O)C(=CNCCN2CCN(C(=O)c3ccccc3)CC2)C(=O)N(C)C1=O	19586804	CRBCNUBCPJRBQF-UHFFFAOYSA-N	399.451	-0.032	10	50	GBCA	
Nc1ccc(C[C@H](CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)cc1	25757836	RPBJIOJIMOUOIN-CYBMUJFWSA-N	397.384	-0.878	10	50	GBCA	
O=C(Cn1ncn2nccc2c1=O)NCc1ccc(N2CCNCC2)c(F)c1	2325745573	RIVWGZCOZVIWBE-UHFFFAOYSA-N	385.403	-0.244	10	50	GBCA	
C[C@@H]1C[C@H](O)[C@H](O)[C@H](Nc2ccccc2N[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@@H]2O)O1	245257369	YVOCVTUPLXAKTB-DWZJKVDESA-N	384.429	-0.805	10	50	GBCA	
Nc1ccc(CCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1	8660412	XTPOZVLRZZIEBW-SCFUHWHPSA-N	386.412	-0.325	10	50	GBCA	biogenic,in-vitro
Nc1ccc(C[C@@H](CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)cc1	25757832	RPBJIOJIMOUOIN-ZDUSSCGKSA-N	397.384	-0.878	10	50	GBCA