smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH]c(=O)[n-]c(=O)c1C=NNC(N)=S	ZINC000002288270	383956873	/nfs/dbraw/zinc/95/68/73/383956873.db2.gz	GPQHVCOQGGMIKW-XNWCZRBMSA-N	-1	3	227.249	-1.461	50	30		BAEAHM
C=CCn1c2c([n-]c1=O)n(C)c(=O)n(C)c2=O	ZINC000002482936	371558472	/nfs/dbraw/zinc/55/84/72/371558472.db2.gz	VYKDJUXSPFXKFJ-UHFFFAOYSA-N	-1	3	236.231	-1.087	50	30		BAEAHM
Cn1[n-]c(=N)c(N=Nc2nc[nH]c2C(N)=O)c1N	ZINC000004478077	173203443	/nfs/dbraw/zinc/20/34/43/173203443.db2.gz	NQBCQTUEMTUTEV-POKAJMIASA-N	-1	3	249.238	-1.319	50	30		BAEAHM
CNc1nc(N)[n-]c(=O)c1N(C=O)CC#N	ZINC000004938765	384092024	/nfs/dbraw/zinc/09/20/24/384092024.db2.gz	LPUSRIBHPRQBIH-UHFFFAOYSA-N	-1	3	222.208	-1.120	50	30		BAEAHM
C=CCn1c(=O)c2c([n-]c(=O)n2C)n(C)c1=O	ZINC000039076911	188110165	/nfs/dbraw/zinc/11/01/65/188110165.db2.gz	TYMGLAUIJGKMIG-UHFFFAOYSA-N	-1	3	236.231	-1.087	50	30		BAEAHM
CCOC(=O)/C(=C\[N-]S(N)(=O)=O)C(C)=O	ZINC000096515863	170180425	/nfs/dbraw/zinc/18/04/25/170180425.db2.gz	CZIZAVVRKXTILE-XQRVVYSFSA-N	-1	3	236.249	-1.185	50	30		BAEAHM