smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)NC(=N)NC(=[NH2+])N1c1cccc(C#N)c1	ZINC000017428337	534960824	/nfs/dbraw/zinc/96/08/24/534960824.db2.gz	NCLZDLNUFXETQQ-UHFFFAOYSA-N	1	3	242.286	0.744	40	30		BCEBHO
N=C(N)NN=Cc1ccc(C2CC[NH2+]CC2)cc1	ZINC000031938011	181188084	/nfs/dbraw/zinc/18/80/84/181188084.db2.gz	UYPHNUPGUBGJFI-MFOYZWKCSA-N	1	3	245.330	0.971	40	30	in-vitro	BCEBHO
N=C(NC(N)=[NH2+])Nc1ccccc1CS	ZINC000001714311	181188244	/nfs/dbraw/zinc/18/82/44/181188244.db2.gz	UUUBCVOTKBDTQI-UHFFFAOYSA-N	1	3	223.305	0.546	40	30		BCEBHO
C/[NH+]=C1\SCCN1CCSC1=NCCN1	ZINC000005372286	384111002	/nfs/dbraw/zinc/11/10/02/384111002.db2.gz	YUDALEWVZXAYSK-KTKRTIGZSA-N	1	3	244.389	0.713	40	30		BCEBHO
N=C(N)NN=Cc1ccc(C2CC[NH2+]CC2)cc1	ZINC000001698568	181188324	/nfs/dbraw/zinc/18/83/24/181188324.db2.gz	UYPHNUPGUBGJFI-RQZCQDPDSA-N	1	3	245.330	0.971	40	30	in-vitro	BCEBHO
N=C(N)Nc1nc(CSCC[NH3+])cs1	ZINC000005670262	387516117	/nfs/dbraw/zinc/51/61/17/387516117.db2.gz	JFINSZHXZPNADJ-UHFFFAOYSA-N	1	3	231.350	0.240	40	30		BCEBHO
CN(C)CC#CCOCOCC#CC[NH+](C)C	ZINC000003159061	385128189	/nfs/dbraw/zinc/12/81/89/385128189.db2.gz	MTGJOADAGNFEHM-UHFFFAOYSA-N	1	3	238.331	0.107	40	30		BCEBHO