smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc(/N=N/c2ccc(OCC[NH+](CCO)CCO)cc2)c(N)[nH+]1	ZINC000004994169	204183371	/nfs/dbraw/zinc/18/33/71/204183371.db2.gz	LNPASUCSBMWAAL-QURGRASLSA-N	2	2	360.418	1.327	40	10		FDCBLP
CN(C)c1ccc(C[NH+]2CCC3(CC2)C(=O)NCC[N@H+]3CC2CC2)cc1	ZINC000096230203	222090921	/nfs/dbraw/zinc/09/09/21/222090921.db2.gz	MACCBWNSNUCAHR-UHFFFAOYSA-N	2	2	356.514	1.929	40	10		FDCBLP
CN(C)c1ccc(C[NH+]2CCC3(CC2)C(=O)NCC[N@@H+]3CC2CC2)cc1	ZINC000096230203	222090923	/nfs/dbraw/zinc/09/09/23/222090923.db2.gz	MACCBWNSNUCAHR-UHFFFAOYSA-N	2	2	356.514	1.929	40	10		FDCBLP
CC(=O)N[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc(N3CCCC3)c(F)c1)CC2	ZINC000019713076	518829525	/nfs/dbraw/zinc/82/95/25/518829525.db2.gz	CACUKNAFXVYVNA-FXAWDEMLSA-N	2	2	360.477	1.726	40	10		FDCBLP
CC(=O)N[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc(N3CCCC3)c(F)c1)CC2	ZINC000019713076	518829534	/nfs/dbraw/zinc/82/95/34/518829534.db2.gz	CACUKNAFXVYVNA-FXAWDEMLSA-N	2	2	360.477	1.726	40	10		FDCBLP
Nc1ccc(/N=N\c2ccc(OCC[NH+](CCO)CCO)cc2)c(N)[nH+]1	ZINC000104087323	222349616	/nfs/dbraw/zinc/34/96/16/222349616.db2.gz	LNPASUCSBMWAAL-DQRAZIAOSA-N	2	2	360.418	1.327	40	10		FDCBLP
CCCc1cc(C[NH+]2CCOCC2)c(O)c(C[NH+]2CCOCC2)c1O	ZINC000031670203	519454038	/nfs/dbraw/zinc/45/40/38/519454038.db2.gz	RJWDABRQZKGBHL-UHFFFAOYSA-N	2	2	350.459	1.715	40	10		FDCBLP