smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)[N@@H+](Cc1ccccc1O)C3)[C@H](O)[C@@H]2O	ZINC000097976612	553971682	/nfs/dbraw/zinc/97/16/82/553971682.db2.gz	RIDQRFDMOHAVTI-ZJMRJBKSSA-N	1	1	588.702	-0.164	40	10		KBCBMO
CC(C)(C)CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)[N@H+](Cc1ccccc1O)C3)[C@H](O)[C@@H]2O	ZINC000097976612	553971681	/nfs/dbraw/zinc/97/16/81/553971681.db2.gz	RIDQRFDMOHAVTI-ZJMRJBKSSA-N	1	1	588.702	-0.164	40	10		KBCBMO
COc1ccc(C(=O)N2C[C@H]3O[C@@H](CC(=O)N[C@H]4C[C@@H](C(=O)N5CCO[C@H](C2)C5)[N@@H+](Cc2ccccc2O)C4)[C@H](O)[C@@H]3O)cc1	ZINC000097976669	553972063	/nfs/dbraw/zinc/97/20/63/553972063.db2.gz	QDYUGXHMUFQDQH-NHDJFNNMSA-N	1	1	624.691	-0.277	40	10		KBCBMO
COc1ccc(C(=O)N2C[C@H]3O[C@@H](CC(=O)N[C@H]4C[C@@H](C(=O)N5CCO[C@H](C2)C5)[N@H+](Cc2ccccc2O)C4)[C@H](O)[C@@H]3O)cc1	ZINC000097976669	553972061	/nfs/dbraw/zinc/97/20/61/553972061.db2.gz	QDYUGXHMUFQDQH-NHDJFNNMSA-N	1	1	624.691	-0.277	40	10		KBCBMO
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3Cc3ccc(F)c(F)c3)C(=O)[C@@H]3C[C@@H](C[N@@H+]3Cc3ccccc3O)N1)[C@@H](O)[C@H]2O	ZINC000225436048	571804199	/nfs/dbraw/zinc/80/41/99/571804199.db2.gz	LFXYMELUYQSQKU-FLIBBYGBSA-N	1	1	629.661	-0.548	40	10		KBCBMO
O=C1C[C@@H]2O[C@H](CN(S(=O)(=O)c3cccc(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](C[N@@H+]3Cc3ccccc3O)N1)[C@@H](O)[C@H]2O	ZINC000225443449	571814340	/nfs/dbraw/zinc/81/43/40/571814340.db2.gz	WWDQMRPGGSJQSA-ZHOJGHLISA-N	1	1	648.710	-0.598	40	10		KBCBMO
O=C1C[C@@H]2O[C@H](CN(S(=O)(=O)c3cccc(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](C[N@H+]3Cc3ccccc3O)N1)[C@@H](O)[C@H]2O	ZINC000225443449	571814337	/nfs/dbraw/zinc/81/43/37/571814337.db2.gz	WWDQMRPGGSJQSA-ZHOJGHLISA-N	1	1	648.710	-0.598	40	10		KBCBMO