smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+]1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1	ZINC000216911244	206360713	/nfs/dbraw/zinc/36/07/13/206360713.db2.gz	ZVCKTPASTMLGFG-OAHLLOKOSA-N	1	1	351.472	0.861	40	70		FCIBMO
CN(c1ccccc1C(=O)NCCC[NH+]1CCOCC1)S(C)(=O)=O	ZINC000218340114	206369978	/nfs/dbraw/zinc/36/99/78/206369978.db2.gz	LTIBVCVSQAXGSJ-UHFFFAOYSA-N	1	1	355.460	0.535	40	70		FCIBMO
CCN(c1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1)S(C)(=O)=O	ZINC000218776926	488443365	/nfs/dbraw/zinc/44/33/65/488443365.db2.gz	APLYHINZTFZSDJ-UHFFFAOYSA-N	1	1	369.487	0.925	40	70		FCIBMO
CN1CC[NH+](CCCNC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1	ZINC000217014386	523896733	/nfs/dbraw/zinc/89/67/33/523896733.db2.gz	LSPABGVOXDTXLW-IYBDPMFKSA-N	1	1	362.474	0.081	40	70		FCIBMO
COc1cc(OC)cc(OCC(=O)NCCC[NH+]2CCN(C)CC2)c1	ZINC000217010449	522869661	/nfs/dbraw/zinc/86/96/61/522869661.db2.gz	JRPDBCCMNNKCGQ-UHFFFAOYSA-N	1	1	351.447	0.836	40	70		FCIBMO
Cc1nc(Nc2ccc(S(N)(=O)=O)cc2)cc(N2CC[NH+](C)CC2)n1	ZINC000216850284	132271470	/nfs/dbraw/zinc/27/14/70/132271470.db2.gz	OMVDMEXRKMZQQM-UHFFFAOYSA-N	1	1	362.459	0.928	40	70		FCIBMO
C[N@H+]1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1	ZINC000216911275	488441502	/nfs/dbraw/zinc/44/15/02/488441502.db2.gz	ZVCKTPASTMLGFG-HNNXBMFYSA-N	1	1	351.472	0.861	40	70		FCIBMO