smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1	ZINC000002565899	209369126	/nfs/dbraw/zinc/36/91/26/209369126.db2.gz	GZALCFNGOQVLFS-UHFFFAOYSA-N	2	0	395.635	5.257	40	10	in-vivo	GKCBRP
CC[NH+](CC)CCC[C@H](C)Nc1c2ccc(C)cc2[nH+]c2ccc(OC)cc21	ZINC000004428783	570374971	/nfs/dbraw/zinc/37/49/71/570374971.db2.gz	YHNFGNDBYUUZNU-SFHVURJKSA-N	2	0	379.548	5.627	40	10		GKCBRP
CC(C)[NH+](C(C)C)[C@@H](C)CCNc1c2ccccc2[nH+]c2cc(Cl)ccc21	ZINC000005962878	570463462	/nfs/dbraw/zinc/46/34/62/570463462.db2.gz	RHECKGVEGPLKGT-KRWDZBQOSA-N	2	0	383.967	6.351	40	10		GKCBRP
CC[NH+](CC)CCC[C@H](C)Nc1c2cc(Cl)ccc2[nH+]c2ccc(OC)cc21	ZINC000003876082	570868590	/nfs/dbraw/zinc/86/85/90/570868590.db2.gz	SVUDQUZYHLUPQN-INIZCTEOSA-N	2	0	399.966	5.972	40	10		GKCBRP
CC[NH+](CC)CCCCNc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21	ZINC000004416106	570374511	/nfs/dbraw/zinc/37/45/11/570374511.db2.gz	TXCSDESMIIXNRY-UHFFFAOYSA-N	2	0	385.939	5.584	40	10		GKCBRP
CC[NH+](CC)CCC[C@@H](C)Nc1c2cc(Cl)ccc2[nH+]c2ccc(OC)cc21	ZINC000003876081	570868529	/nfs/dbraw/zinc/86/85/29/570868529.db2.gz	SVUDQUZYHLUPQN-MRXNPFEDSA-N	2	0	399.966	5.972	40	10		GKCBRP
CCCC1CC[NH+](Cc2cc(O)c(C[NH+]3CCC(CCC)CC3)cc2O)CC1	ZINC000015442148	570935323	/nfs/dbraw/zinc/93/53/23/570935323.db2.gz	IFNWGPKURSKGRZ-UHFFFAOYSA-N	2	0	388.596	5.122	40	10		GKCBRP
CC[NH+](CC)CCC[C@@H](C)Nc1c2ccc(C)cc2[nH+]c2ccc(OC)cc21	ZINC000006382054	570478254	/nfs/dbraw/zinc/47/82/54/570478254.db2.gz	YHNFGNDBYUUZNU-GOSISDBHSA-N	2	0	379.548	5.627	40	10		GKCBRP
COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](C(C)C)C(C)C)c2c1	ZINC000004428955	570375169	/nfs/dbraw/zinc/37/51/69/570375169.db2.gz	WNFXWPUUPCLXCF-UHFFFAOYSA-N	2	0	399.966	5.971	40	10		GKCBRP
CC(C)[NH+](C(C)C)[C@H](C)CCNc1c2ccccc2[nH+]c2cc(Cl)ccc21	ZINC000004748380	204073077	/nfs/dbraw/zinc/07/30/77/204073077.db2.gz	RHECKGVEGPLKGT-QGZVFWFLSA-N	2	0	383.967	6.351	40	10		GKCBRP