smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCN(C[C@@H]2OC[C@H]([NH2+]Cc3ccccc3[O-])[C@H]2O)CC1	ZINC000514289436	257216213	/nfs/dbraw/zinc/21/62/13/257216213.db2.gz	UEPWZVGKXBJMAZ-BHYGNILZSA-N	0	3	321.421	-0.143	40	10	biogenic,in-vitro	DBCBHN
[O-]c1ccccc1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cncn2)[C@H]1O	ZINC000952844672	809006110	/nfs/dbraw/zinc/00/61/10/809006110.db2.gz	GSDWNXXZRSEFAL-ARILJUKYSA-N	0	3	318.333	-0.201	40	10	biogenic,in-vitro	DBCBHN
COCC(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2ccccc2[O-])[C@@H]1O	ZINC000077264134	379828893	/nfs/dbraw/zinc/82/88/93/379828893.db2.gz	JISJKOYKFNQURX-KYOSRNDESA-N	0	3	310.350	-0.627	40	10	biogenic,in-vitro	DBCBHN
[O-]c1ccccc1C[NH2+][C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(CO)nn1	ZINC001549161871	1015707487	/nfs/dbraw/zinc/70/74/87/1015707487.db2.gz	OSKRLYDPOOPUEB-RRFJBIMHSA-N	0	3	320.349	-0.606	40	10		DBCBHN
COCCN[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccccc2[O-])[C@@H]1O	ZINC000096533300	382613368	/nfs/dbraw/zinc/61/33/68/382613368.db2.gz	BKKXRALZPBYRKC-DGXTUMSLSA-N	0	3	324.377	-0.429	40	10	biogenic,in-vitro	DBCBHN
[O-]c1ccccc1C[NH2+][C@H]1CO[C@@H](CN2CCOCC2)[C@@H]1O	ZINC000514289611	257215716	/nfs/dbraw/zinc/21/57/16/257215716.db2.gz	WRVCJGJNVVPFKX-CWRNSKLLSA-N	0	3	308.378	-0.058	40	10	biogenic,in-vitro	DBCBHN
CS(=O)(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2ccccc2[O-])[C@@H]1O	ZINC000077264544	379829456	/nfs/dbraw/zinc/82/94/56/379829456.db2.gz	GRFJTTGZYWWIHE-RTXFEEFZSA-N	0	3	316.379	-0.841	40	10	biogenic,in-vitro	DBCBHN