smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1ccccc1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cncn2)[C@H]1O	ZINC000952844672	809006109	/nfs/dbraw/zinc/00/61/09/809006109.db2.gz	GSDWNXXZRSEFAL-ARILJUKYSA-N	1	0	318.333	-0.201	40	10	biogenic,in-vitro	DBCBRO
COCC(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2ccccc2O)[C@@H]1O	ZINC000077264134	379828887	/nfs/dbraw/zinc/82/88/87/379828887.db2.gz	JISJKOYKFNQURX-KYOSRNDESA-N	1	0	310.350	-0.627	40	10	biogenic,in-vitro	DBCBRO
OCc1cn(C[C@H]2OC[C@H](O)[C@H]2[NH2+]Cc2ccccc2O)nn1	ZINC001549161871	1015707474	/nfs/dbraw/zinc/70/74/74/1015707474.db2.gz	OSKRLYDPOOPUEB-RRFJBIMHSA-N	1	0	320.349	-0.606	40	10		DBCBRO
COCCN[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccccc2O)[C@@H]1O	ZINC000096533300	382613362	/nfs/dbraw/zinc/61/33/62/382613362.db2.gz	BKKXRALZPBYRKC-DGXTUMSLSA-N	1	0	324.377	-0.429	40	10	biogenic,in-vitro	DBCBRO
Oc1ccccc1C[NH2+][C@H]1CO[C@@H](CN2CCOCC2)[C@@H]1O	ZINC000514289611	257215713	/nfs/dbraw/zinc/21/57/13/257215713.db2.gz	WRVCJGJNVVPFKX-CWRNSKLLSA-N	1	0	308.378	-0.058	40	10	biogenic,in-vitro	DBCBRO
CS(=O)(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2ccccc2O)[C@@H]1O	ZINC000077264544	379829446	/nfs/dbraw/zinc/82/94/46/379829446.db2.gz	GRFJTTGZYWWIHE-RTXFEEFZSA-N	1	0	316.379	-0.841	40	10	biogenic,in-vitro	DBCBRO
C[NH+]1CCN(NC=C2C(=O)NC(=S)N(C3CC3)C2=O)CC1	ZINC000002383523	977392919	/nfs/dbraw/zinc/39/29/19/977392919.db2.gz	DBJQCOIPMYNONL-NTMALXAHSA-N	1	0	309.395	-0.132	40	10		DBCBRO