smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CC(C(N)=O)n1cnc(C(N)=O)c1N	ZINC000004879205	181053984	/nfs/dbraw/zinc/05/39/84/181053984.db2.gz	QOCOUDADRPDULL-VKHMYHEASA-N	0	3	208.181	-1.886	50	30		BAEAHN
N#CC(C(N)=O)n1cnc(C(N)=O)c1N	ZINC000005286617	181062459	/nfs/dbraw/zinc/06/24/59/181062459.db2.gz	QOCOUDADRPDULL-GSVOUGTGSA-N	0	3	208.181	-1.886	50	30		BAEAHN
N=C(N)NN=C1C=CC(=NNC(=N)N)C=C1	ZINC000006058710	181191794	/nfs/dbraw/zinc/19/17/94/181191794.db2.gz	XRDACVXCOKISDA-UHFFFAOYSA-N	0	3	220.240	-1.209	50	30		BAEAHN
C#CCNC(=O)C[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O	ZINC000015675315	166173678	/nfs/dbraw/zinc/17/36/78/166173678.db2.gz	RTWAHEHDGVCCDF-WPYKOPORSA-N	0	3	228.248	-2.426	50	30	biogenic,in-vitro	BAEAHN
C#CCNS(=O)(=O)N1CCNCC1	ZINC000020247255	342978487	/nfs/dbraw/zinc/97/84/87/342978487.db2.gz	IEVHLPKGFUHMJT-UHFFFAOYSA-N	0	3	203.267	-1.641	50	30		BAEAHN
CC(CN1C(=O)CCC1=O)N=NC(=N)N	ZINC000033388439	582594716	/nfs/dbraw/zinc/59/47/16/582594716.db2.gz	CPBVFHHOBOODDQ-VZUCSPMQSA-N	0	3	211.225	-1.215	50	30		BAEAHN
N=C(N)NN=Cc1ccc(C=NNC(=N)N)[nH]1	ZINC000067317218	181187877	/nfs/dbraw/zinc/18/78/77/181187877.db2.gz	VHOFJWKBUMBGJO-NPJRDEIVSA-N	0	3	235.255	-1.561	50	30		BAEAHN
CN1CCO[C@H](CNCC(=O)NCCC#N)C1	ZINC000072267942	173108325	/nfs/dbraw/zinc/10/83/25/173108325.db2.gz	NFFRQCUWIALFLT-SNVBAGLBSA-N	0	3	240.307	-1.064	50	30		BAEAHN
CN1CCO[C@@H](CNCC(=O)NCCC#N)C1	ZINC000072267943	173101528	/nfs/dbraw/zinc/10/15/28/173101528.db2.gz	NFFRQCUWIALFLT-JTQLQIEISA-N	0	3	240.307	-1.064	50	30		BAEAHN