smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCNNC(=O)c1ccncc1	584651564	1149370160	/nfs/dbraw/zinc/37/01/60/1149370160.db2.gz	WESUGDYVVJOCIZ-UHFFFAOYSA-N	0	0	193.250	1.116	10	50		ADGERN
CC=CC(=O)C(Cl)=CC	217732475	573029933	/nfs/dbraw/zinc/02/99/33/573029933.db2.gz	DDMBOQSDFOZUPD-LMXCLXGDSA-N	0	0	144.601	1.925	10	50		ADGERN
C[NH+]1CCC([C@@H](Cl)C(=O)[O-])CC1	259461504	573467550	/nfs/dbraw/zinc/46/75/50/573467550.db2.gz	WWNQOBMVXSUMST-SSDOTTSWSA-N	0	0	191.658	1.020	10	50		ADGERN
O=C(Br)C1CCOCC1	259277528	574022008	/nfs/dbraw/zinc/02/20/08/574022008.db2.gz	YSNBNZITKBCUHT-UHFFFAOYSA-N	0	0	193.040	1.335	10	50		ADGERN
CO[C@H](C(=O)N=C=O)c1ccccc1	234770350	571944424	/nfs/dbraw/zinc/94/44/24/571944424.db2.gz	MRZLPJZWFVGPTJ-VIFPVBQESA-N	0	0	191.186	1.237	10	50		ADGERN
C[NH+]1CCC([C@H](Cl)C(=O)[O-])CC1	259461506	573463898	/nfs/dbraw/zinc/46/38/98/573463898.db2.gz	WWNQOBMVXSUMST-ZETCQYMHSA-N	0	0	191.658	1.020	10	50		ADGERN
C[C@H](Cl)C(=O)c1ccncc1	259503041	573551707	/nfs/dbraw/zinc/55/17/07/573551707.db2.gz	ZXJGOSRLOKXKRG-LURJTMIESA-N	0	0	169.611	1.892	10	50		ADGERN
O=C1Nc2ncccc2O[C@H]1CCl	259515989	573572349	/nfs/dbraw/zinc/57/23/49/573572349.db2.gz	PGUXFGXRFZHYNU-LURJTMIESA-N	0	0	198.609	1.020	10	50		ADGERN
O=C1Nc2ncccc2O[C@@H]1CCl	259515991	573572553	/nfs/dbraw/zinc/57/25/53/573572553.db2.gz	PGUXFGXRFZHYNU-ZCFIWIBFSA-N	0	0	198.609	1.020	10	50		ADGERN
Nc1cc(CN=C=O)ccc1Cl	259536304	573634257	/nfs/dbraw/zinc/63/42/57/573634257.db2.gz	UPUFXILJEVRQQR-UHFFFAOYSA-N	0	0	182.610	1.758	10	50		ADGERN
C[C@H]1C[C@H](C)N(C(=O)[C@H](C)Cl)C1	218360304	344412100	/nfs/dbraw/zinc/41/21/00/344412100.db2.gz	VPTLHTGDOKCCHB-FXQIFTODSA-N	0	0	189.686	1.871	10	50		ADGERN
C[N+](C)(C)[C@H](Cl)CCC(=O)[O-]	60201015	717131786	/nfs/dbraw/zinc/13/17/86/717131786.db2.gz	DWPKUWBTHAKLET-LURJTMIESA-O	0	0	180.655	1.122	10	50		ADGERN
C[N+](C)(C)[C@@H](Cl)CCC(=O)[O-]	60201020	717131830	/nfs/dbraw/zinc/13/18/30/717131830.db2.gz	DWPKUWBTHAKLET-ZCFIWIBFSA-O	0	0	180.655	1.122	10	50		ADGERN