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(=C2c3ccsc3SCc3cc(C4CC[NH+](C)CC4)ccc32)CC1	ZINC000004128368	557517608	/nfs/dbraw/zinc/51/76/08/557517608.db2.gz	PXBUMRNTQFETAB-UHFFFAOYSA-N	2	0	410.652	5.691	50	10		HKCARP
CC[NH+](CC)CCC[C@@H](C)Nc1c2cc(N)c(Cl)cc2[nH+]c2ccc(OC)cc21	ZINC000004363965	558461187	/nfs/dbraw/zinc/46/11/87/558461187.db2.gz	AAUBBNVAOSGOOE-OAHLLOKOSA-N	2	0	414.981	5.555	50	10		HKCARP
CC[NH+](CC)CCC[C@H](C)Nc1c2cc(N)c(Cl)cc2[nH+]c2ccc(OC)cc21	ZINC000004363970	558461109	/nfs/dbraw/zinc/46/11/09/558461109.db2.gz	AAUBBNVAOSGOOE-HNNXBMFYSA-N	2	0	414.981	5.555	50	10		HKCARP
Oc1ccccc1C[NH2+]CCCCCCCCCCCC[NH2+]Cc1ccccc1O	ZINC000004760044	571044919	/nfs/dbraw/zinc/04/49/19/571044919.db2.gz	IAOWRIYZWUFKMM-UHFFFAOYSA-N	2	0	412.618	5.878	50	10		HKCARP
CCN(CC)c1ccc(Nc2c3ccc(Cl)cc3[nH+]c3ccc(OC)cc32)cc1	ZINC000005840560	569026559	/nfs/dbraw/zinc/02/65/59/569026559.db2.gz	LQHFYOHONIWKND-UHFFFAOYSA-N	2	0	405.929	6.640	50	10		HKCARP
Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cccnc2)Cc2ccccc2O)CC1	ZINC000012436362	558409012	/nfs/dbraw/zinc/40/90/12/558409012.db2.gz	AIMXMAKHAWSHEA-UHFFFAOYSA-N	2	0	415.581	5.010	50	10		HKCARP