smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@](C)(O)C[NH+]1CCN(S(N)(=O)=O)CC1	ZINC000161044746	372933145	/nfs/dbraw/zinc/93/31/45/372933145.db2.gz	FBPNJVXSSWSXJL-VIFPVBQESA-N	1	1	251.352	-1.032	20	70		CAIDMO
CN(C)C(=O)CN(C)CC(=O)N1CC[NH+](C)CC1	ZINC000161258740	373675708	/nfs/dbraw/zinc/67/57/08/373675708.db2.gz	HSDGERLDQSPZMF-UHFFFAOYSA-N	1	1	256.350	-1.220	20	70		CAIDMO
CC[C@@](C)(O)C[NH+]1CCN(S(N)(=O)=O)CC1	ZINC000161044866	529509068	/nfs/dbraw/zinc/50/90/68/529509068.db2.gz	FBPNJVXSSWSXJL-SECBINFHSA-N	1	1	251.352	-1.032	20	70		CAIDMO
CCS(=O)(=O)NCC[N@H+](C)CC(C)(CO)CO	ZINC000159576051	230184179	/nfs/dbraw/zinc/18/41/79/230184179.db2.gz	DASJEBOLUBDPFQ-UHFFFAOYSA-N	1	1	268.379	-1.152	20	70		CAIDMO
CCS(=O)(=O)NCC[N@@H+](C)CC(C)(CO)CO	ZINC000159576051	230184184	/nfs/dbraw/zinc/18/41/84/230184184.db2.gz	DASJEBOLUBDPFQ-UHFFFAOYSA-N	1	1	268.379	-1.152	20	70		CAIDMO
CC(C)(O)C[NH+]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1	ZINC000217210433	545505870	/nfs/dbraw/zinc/50/58/70/545505870.db2.gz	ZFQOEVAUWRSQOE-VIFPVBQESA-N	1	1	298.343	-1.500	20	70		CAIDMO