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@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1C(=O)[O-])C(=O)c1cccc(O)c1C3=O	ZINC000004654752	560199050	/nfs/dbraw/zinc/19/90/50/560199050.db2.gz	MMYTYGXIKKVLES-AGMCFEMXSA-N	0	0	543.525	1.173	10	10	in-vitro	KDCERN
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(O)c1O	ZINC000077287214	553659171	/nfs/dbraw/zinc/65/91/71/553659171.db2.gz	CYOJPLOJEPTJMM-CVVBPBLLSA-N	0	0	574.535	1.036	10	10	in-vitro	KDCERN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(O)c1O	ZINC000077287215	553659058	/nfs/dbraw/zinc/65/90/58/553659058.db2.gz	CYOJPLOJEPTJMM-GBMFZNGPSA-N	0	0	574.535	1.036	10	10	in-vitro	KDCERN
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(O)c1O	ZINC000077287217	553659054	/nfs/dbraw/zinc/65/90/54/553659054.db2.gz	CYOJPLOJEPTJMM-ITCLLBKNSA-N	0	0	574.535	1.036	10	10	in-vitro	KDCERN
[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@H]21	ZINC000216451852	571596366	/nfs/dbraw/zinc/59/63/66/571596366.db2.gz	WOMFFURCOFOFGG-JBRSBNLGSA-N	0	0	620.770	1.255	10	10		KDCERN
[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12	ZINC000216451903	571596470	/nfs/dbraw/zinc/59/64/70/571596470.db2.gz	WOMFFURCOFOFGG-VDKIKQQVSA-N	0	0	620.770	1.255	10	10		KDCERN