smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)[C@H]1CO[C@H]2[C@]34O[C@H]3[C@H]3OC(=O)[C@]5(C)[C@H]3[C@]3(CC[C@]5(O)OC3)[C@@H]4CC[C@@]12C	ZINC000008221295	560207702	/nfs/dbraw/zinc/20/77/02/560207702.db2.gz	VSTATNJCZCHFTM-QVPHZILJSA-N	0	3	405.491	0.930	10	30	in-vitro	HCEEHN
C=CCn1c2ccccc2n(CCC(=O)NCCN2CCN(CC)CC2)c(=O)c1=O	ZINC000033272473	519265036	/nfs/dbraw/zinc/26/50/36/519265036.db2.gz	VBMKQWSXYRZEBX-UHFFFAOYSA-N	0	3	413.522	0.493	10	30		HCEEHN