smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H]([N+](C)(C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000032107386	717120623	/nfs/dbraw/zinc/12/06/23/717120623.db2.gz	OJOZAKYSCPTJDN-HHARLNAUSA-N	1	0	390.409	-0.224	10	5		GBBERO
C/C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3(C)CC[C@@H](OC1=O)[C@@]23O	ZINC000255203446	717171024	/nfs/dbraw/zinc/17/10/24/717171024.db2.gz	CRWHRMSWJOLABX-OIMJGDGPSA-N	1	0	382.433	-0.370	10	5	in-vitro	GBBERO
C/C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@+]3(C)CC[C@@H](OC1=O)[C@@]23O	ZINC000299817446	717180950	/nfs/dbraw/zinc/18/09/50/717180950.db2.gz	CRWHRMSWJOLABX-ZOMGVMBKSA-N	1	0	382.433	-0.370	10	5	in-vitro	GBBERO
[NH3+][C@@H]1[C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@@H]1CS(=O)(=O)C2	ZINC000757070086	637933197	/nfs/dbraw/zinc/93/31/97/637933197.db2.gz	OWZHSDGAXBDMBO-IWIIMEHWSA-N	1	0	375.428	-0.413	10	5		GBBERO