smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC=C1C(=O)[N-]C(=S)NC1=O	5459401	343003152	/nfs/dbraw/zinc/00/31/52/343003152.db2.gz	HXNKCRILVJWLEV-UHFFFAOYSA-N	-1	1	184.220	-0.146	40	10		ABCBMM
N[C@@H](C(=O)[O-])c1cc(O)c(O)c(O)c1	34061409	169241418	/nfs/dbraw/zinc/24/14/18/169241418.db2.gz	QQNNBCKCTFTQHF-ZCFIWIBFSA-N	-1	1	199.162	-0.112	40	10		ABCBMM
N[C@H](C(=O)[O-])c1cc(O)c(O)c(O)c1	34061408	169262122	/nfs/dbraw/zinc/26/21/22/169262122.db2.gz	QQNNBCKCTFTQHF-LURJTMIESA-N	-1	1	199.162	-0.112	40	10		ABCBMM
O=C1[N-]C(=S)NC(=O)C1=CC1CC1	5566673	169384570	/nfs/dbraw/zinc/38/45/70/169384570.db2.gz	YWPFYVBVXKFQLX-UHFFFAOYSA-N	-1	1	196.231	-0.146	40	10		ABCBMM
O=C([O-])C(=S)Cc1c[nH]nn1	4879414	171014767	/nfs/dbraw/zinc/01/47/67/171014767.db2.gz	XTRFPNCVKQYDHU-UHFFFAOYSA-N	-1	1	171.181	-0.198	40	10		ABCBMM
NC=C1SC(=S)[N-]C1=O	117979413	343774111	/nfs/dbraw/zinc/77/41/11/343774111.db2.gz	XYIWBFQEHFJEMF-UPHRSURJSA-N	-1	1	160.223	-0.066	40	10		ABCBMM
CC(=O)C(N=Nc1nnn[n-]1)C(C)=O	104131542	1423473792	/nfs/dbraw/zinc/47/37/92/1423473792.db2.gz	FORHLHXZPYLRDS-BQYQJAHWSA-N	-1	1	196.170	-0.170	40	10		ABCBMM
C1CN(N=Nc2nnn[n-]2)CCO1	17105016	1423706629	/nfs/dbraw/zinc/70/66/29/1423706629.db2.gz	VPEULXVDDFRCAN-FLIBITNWSA-N	-1	1	183.175	-0.469	40	10		ABCBMM