smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CCCn1c(=O)[n-]c(=O)n(CCC#N)c1=O	ZINC000002227645	229548335	/nfs/dbraw/zinc/54/83/35/229548335.db2.gz	JGKPZBDGULKDQK-UHFFFAOYSA-N	-1	1	235.203	-1.474	50	30		BAEAMM
Cc1[n-][nH]c(=O)c1N=Nc1[nH]cnc1C(N)=O	ZINC000008572360	188050770	/nfs/dbraw/zinc/05/07/70/188050770.db2.gz	GYCVDRMAKALOOL-UHFFFAOYSA-N	-1	1	235.207	-1.218	50	30		BAEAMM
C=CC[N-]S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O	ZINC000013581980	386469197	/nfs/dbraw/zinc/46/91/97/386469197.db2.gz	BCEHITSYNASZGL-UHFFFAOYSA-N	-1	1	245.260	-1.164	50	30		BAEAMM
O=C1C2C(C(=O)N1[O-])C1C(=O)N(O)C(=O)C21	ZINC000096029531	188321583	/nfs/dbraw/zinc/32/15/83/188321583.db2.gz	HONIHRUONDEYHT-UHFFFAOYSA-N	-1	1	226.144	-2.019	50	30		BAEAMM
Cn1c(=O)c2nc(/C=N/[O-])cnc2n(C)c1=O	ZINC000100264211	384628943	/nfs/dbraw/zinc/62/89/43/384628943.db2.gz	UXXFHDHNOJIHLS-NYYWCZLTSA-N	-1	1	235.203	-1.165	50	30		BAEAMM
CO/N=C/c1c([O-])n(C)c(=O)n(C)c1=O	ZINC000100324801	384319881	/nfs/dbraw/zinc/31/98/81/384319881.db2.gz	XZCVBBAUZNVDJZ-RUDMXATFSA-N	-1	1	213.193	-1.230	50	30		BAEAMM
N#CC(=N[N-]c1nc(C#N)c(C#N)[nH]1)C(N)=O	ZINC000101384470	410765921	/nfs/dbraw/zinc/76/59/21/410765921.db2.gz	FUBVVQSHRDZDBW-UUASQNMZSA-N	-1	1	228.175	-1.070	50	30		BAEAMM
Cn1c(=O)c2nc(C=N[O-])cnc2n(C)c1=O	ZINC000252630250	364388561	/nfs/dbraw/zinc/38/85/61/364388561.db2.gz	UXXFHDHNOJIHLS-UHFFFAOYSA-N	-1	1	235.203	-1.165	50	30		BAEAMM