smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2C(=O)NC(=O)C(=CNCCO)C2=O)cc1	ZINC000408536061	374248442	/nfs/dbraw/zinc/24/84/42/374248442.db2.gz	VNVZCQBYSUKTLI-FLIBITNWSA-N	0	2	305.290	-0.256	40	10		DBCBLN
Nc1nc(=O)c(N=Nc2ccc(S(N)(=O)=O)cc2)c(N)[nH]1	ZINC000018067025	182091932	/nfs/dbraw/zinc/09/19/32/182091932.db2.gz	VGUWZPDGJHXELG-MSUUIHNZSA-N	0	2	309.311	-0.003	40	10		DBCBLN
Cn1c2[nH]c(N=NNc3nncs3)nc2c(=O)n(C)c1=O	ZINC000005542987	374273287	/nfs/dbraw/zinc/27/32/87/374273287.db2.gz	RLEDPDGHGINYPS-UHFFFAOYSA-N	0	2	307.299	-0.077	40	10		DBCBLN
Nc1nc(=O)c(N=Nc2ccc(S(N)(=O)=O)cc2)c(N)[nH]1	ZINC000100366223	257232281	/nfs/dbraw/zinc/23/22/81/257232281.db2.gz	VGUWZPDGJHXELG-WUKNDPDISA-N	0	2	309.311	-0.003	40	10		DBCBLN
O=C1NN(c2ccccc2)C(=O)C1=Cc1c(O)[nH]c(=O)[nH]c1=O	ZINC000005603848	181263069	/nfs/dbraw/zinc/26/30/69/181263069.db2.gz	SHJZJCUDXKZRMO-TWGQIWQCSA-N	0	2	314.257	-0.770	40	10		DBCBLN