smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccccc1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCCCC2)[C@H]1O	ZINC000012529612	436050313	/nfs/dbraw/zinc/05/03/13/436050313.db2.gz	RTDMFQKCLDHULZ-HSFUPAIVSA-N	0	3	334.416	0.821	40	10	biogenic,in-vitro	ECCBHN
CCOCc1cc(CNC[C@@H]2COC[C@@H](O)[C@H]2O)ccc1OC	ZINC000585285551	439639780	/nfs/dbraw/zinc/63/97/80/439639780.db2.gz	FEICWWLCFMDHPH-INMHGKMJSA-N	0	3	325.405	0.690	40	10		ECCBHN
[O-]c1ccccc1C[NH2+][C@H]1CO[C@@H](CN2CCC(F)(F)C2)[C@@H]1O	ZINC000514289156	438813997	/nfs/dbraw/zinc/81/39/97/438813997.db2.gz	WLAXFJNVCPAIKE-AEGPPILISA-N	0	3	328.359	0.951	40	10	biogenic,in-vitro	ECCBHN
Nc1nc2c(c(N)n1)C[C@@]1(COCCN(Cc3ccccc3O)C1)O2	ZINC000257279655	436861253	/nfs/dbraw/zinc/86/12/53/436861253.db2.gz	OHPILFCNILODDO-QGZVFWFLSA-N	0	3	343.387	0.553	40	10		ECCBHN
O=C1c2ccccc2C(=O)c2c(O)c(NCCNCCO)cc(O)c21	ZINC000005390382	435988332	/nfs/dbraw/zinc/98/83/32/435988332.db2.gz	QVDYNRJLVYYQRZ-UHFFFAOYSA-N	0	3	342.351	0.867	40	10		ECCBHN
O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccccc2[O-])[C@@H]1O)C1CCCC1	ZINC000077264065	436229388	/nfs/dbraw/zinc/22/93/88/436229388.db2.gz	VUNPBNNYCOFATJ-OIISXLGYSA-N	0	3	334.416	0.917	40	10	biogenic,in-vitro	ECCBHN
COc1ccc(N2CCN[C@H](C(=O)NCCn3ccnc3C)C2)cc1	ZINC000257250773	536705834	/nfs/dbraw/zinc/70/58/34/536705834.db2.gz	JNXTUFAMIMRGOI-KRWDZBQOSA-N	0	3	343.431	0.795	40	10		ECCBHN
COc1ccc(N2CCN[C@@H](C(=O)NCCn3ccnc3C)C2)cc1	ZINC000257250774	536704776	/nfs/dbraw/zinc/70/47/76/536704776.db2.gz	JNXTUFAMIMRGOI-QGZVFWFLSA-N	0	3	343.431	0.795	40	10		ECCBHN
Nc1nc2c(c(N)n1)C[C@]1(COCCN(Cc3ccccc3O)C1)O2	ZINC000257279654	436861498	/nfs/dbraw/zinc/86/14/98/436861498.db2.gz	OHPILFCNILODDO-KRWDZBQOSA-N	0	3	343.387	0.553	40	10		ECCBHN