smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1n[n-]c2cc(=O)[nH]c(O)c12	100165474	169303311	/nfs/dbraw/zinc/30/33/11/169303311.db2.gz	RWHCQACUVWSYNC-UHFFFAOYSA-N	-1	1	166.140	-0.049	50	10		ABCAMM
Nc1[nH][n-]c2cc(=O)[nH]c(=O)c1-2	100165474	169303313	/nfs/dbraw/zinc/30/33/13/169303313.db2.gz	RWHCQACUVWSYNC-UHFFFAOYSA-N	-1	1	166.140	-0.049	50	10		ABCAMM
O=C1[N-]C(=S)NC(=O)/C1=C\NO	95470898	169384737	/nfs/dbraw/zinc/38/47/37/169384737.db2.gz	QVSKDNJGYPZTKK-UHFFFAOYSA-N	-1	1	187.180	-0.780	50	10		ABCAMM
O=C1[N-]C(=S)NC(=O)/C1=C/NO	95470898	169384738	/nfs/dbraw/zinc/38/47/38/169384738.db2.gz	QVSKDNJGYPZTKK-UHFFFAOYSA-N	-1	1	187.180	-0.780	50	10		ABCAMM
O=C1[N-]C(=S)NC(=O)C1=CNO	95470898	169384740	/nfs/dbraw/zinc/38/47/40/169384740.db2.gz	QVSKDNJGYPZTKK-UHFFFAOYSA-N	-1	1	187.180	-0.780	50	10		ABCAMM
O=C1NC(=O)c2c1ccc(O)c2[O-]	102996540	169384758	/nfs/dbraw/zinc/38/47/58/169384758.db2.gz	DJAFPKRFXCOYCY-UHFFFAOYSA-N	-1	1	179.131	-0.019	50	10	in-vitro	ABCAMM
C[C@H]1C(=O)C=C([O-])C1=O	100018122	343708829	/nfs/dbraw/zinc/70/88/29/343708829.db2.gz	FUWXZDKUAHOVLL-VKHMYHEASA-N	-1	1	126.111	-0.267	50	10		ABCAMM
C[C@@H]1C(=O)C=C([O-])C1=O	100018119	351686910	/nfs/dbraw/zinc/68/69/10/351686910.db2.gz	FUWXZDKUAHOVLL-GSVOUGTGSA-N	-1	1	126.111	-0.267	50	10		ABCAMM
Oc1cc(-c2nn[n-]n2)cc(O)c1O	20120490	1424241176	/nfs/dbraw/zinc/24/11/76/1424241176.db2.gz	BKOFIXXJDYWOBK-UHFFFAOYSA-N	-1	1	194.150	-0.017	50	10		ABCAMM