smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)CCC[N@@H+](CCCCC2=CCCc3ccccc32)C1	ZINC000013781284	170593428	/nfs/dbraw/zinc/59/34/28/170593428.db2.gz	MUWHFGZENZYNPS-UHFFFAOYSA-N	1	1	297.486	5.309	1	0		CKAFMO
C([N@H+]1CCCC12CCCCC2)C12CC3CC(CC(C3)C1)C2	ZINC000026989047	171505273	/nfs/dbraw/zinc/50/52/73/171505273.db2.gz	VVTWJBZAEFQNGH-UHFFFAOYSA-N	1	1	287.491	5.002	1	0		CKAFMO
C(=C\[C@H]1CCC[N@H+](CCC2CCCCC2)C1)\c1ccccc1	ZINC000029326278	171594248	/nfs/dbraw/zinc/59/42/48/171594248.db2.gz	RWNKMTZPBWQHPR-DZFTYQQFSA-N	1	1	297.486	5.382	1	0		CKAFMO
C[N@H+]1[C@@H](CCCc2ccccc2)CCC[C@H]1c1ccccc1	ZINC000040379496	174250234	/nfs/dbraw/zinc/25/02/34/174250234.db2.gz	GCAJSTAQESWEIC-SFTDATJTSA-N	1	1	293.454	5.235	1	0		CKAFMO
C[N@@H+]([C@@H]1CCCc2ccccc21)[C@H]1CCCc2ccccc21	ZINC000045245031	175336328	/nfs/dbraw/zinc/33/63/28/175336328.db2.gz	NVIYTGGIJXHYHM-OYRHEFFESA-N	1	1	291.438	5.073	1	0		CKAFMO
Cc1ccc(C[N@H+](C)[C@H](C)c2cccc3ccccc32)cc1	ZINC000096929789	185132070	/nfs/dbraw/zinc/13/20/70/185132070.db2.gz	KBYDJSFOICHIOW-QGZVFWFLSA-N	1	1	289.422	5.341	1	0		CKAFMO
C[C@H](c1cccc2ccccc21)[N@@H+](C)Cc1ccccc1F	ZINC000096930047	185132304	/nfs/dbraw/zinc/13/23/04/185132304.db2.gz	ARFDJABJFXCHLY-OAHLLOKOSA-N	1	1	293.385	5.172	1	0		CKAFMO
C[C@H](c1cccc2ccccc21)[N@@H+](C)Cc1ccc(F)cc1	ZINC000096930065	185132295	/nfs/dbraw/zinc/13/22/95/185132295.db2.gz	CULDGHNTMNPVQZ-OAHLLOKOSA-N	1	1	293.385	5.172	1	0		CKAFMO
Cc1ccc2[nH+]c(C3CCCCC3)c(CC(C)(C)C)n2c1	ZINC000072136816	176322236	/nfs/dbraw/zinc/32/22/36/176322236.db2.gz	JUCWQXFASQUFNP-UHFFFAOYSA-N	1	1	284.447	5.279	3	0		CKAFMO