smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCC(NCc2ccc(N)cc2)CC1	ZINC000036075382	343308375	/nfs/dbraw/zinc/30/83/75/343308375.db2.gz	FBNBJZUWDITPBS-UHFFFAOYSA-N	1	3	219.332	1.453	50	10		BDCAHO
COc1cccc(CN2CC[C@@H](C[NH3+])C2)c1O	ZINC000050245089	175260215	/nfs/dbraw/zinc/26/02/15/175260215.db2.gz	HXPUGMXGIRKPQI-JTQLQIEISA-N	1	3	236.315	1.181	50	10		BDCAHO
CCN(CC)c1ccc(CNCCC[NH3+])cc1	ZINC000019736882	384534544	/nfs/dbraw/zinc/53/45/44/384534544.db2.gz	RNMAJBQTNXDUOK-UHFFFAOYSA-N	1	3	235.375	1.971	50	10		BDCAHO
[NH3+]Cc1ccc(N2CCN(CC3CC3)CC2)cc1	ZINC000020266099	132330949	/nfs/dbraw/zinc/33/09/49/132330949.db2.gz	DJPHOOYDEDBMGN-UHFFFAOYSA-N	1	3	245.370	1.677	50	10		BDCAHO
CN1CCCN(c2ccc(C[NH3+])cc2)CC1	ZINC000012370636	173016634	/nfs/dbraw/zinc/01/66/34/173016634.db2.gz	GYRJZJZERXFNLI-UHFFFAOYSA-N	1	3	219.332	1.287	50	10		BDCAHO
COc1cccc(CN2CC[C@H](C[NH3+])C2)c1O	ZINC000050245088	175259721	/nfs/dbraw/zinc/25/97/21/175259721.db2.gz	HXPUGMXGIRKPQI-SNVBAGLBSA-N	1	3	236.315	1.181	50	10		BDCAHO
[NH3+]C1CCN(Cc2ccccc2O)CC1	ZINC000020521615	181344470	/nfs/dbraw/zinc/34/44/70/181344470.db2.gz	VUMIPUSPWRQJPJ-UHFFFAOYSA-N	1	3	206.289	1.315	50	10		BDCAHO
C[NH2+]Cc1ccc(N2CCCN(C)CC2)cc1	ZINC000012370639	173389173	/nfs/dbraw/zinc/38/91/73/173389173.db2.gz	NOEOYDRQGMQWID-UHFFFAOYSA-N	1	3	233.359	1.548	50	10		BDCAHO