smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=CN=NC(N)=[NH2+])N=NC(N)N	4557060	166231021	/nfs/dbraw/zinc/23/10/21/166231021.db2.gz	MXWHMTNPTTVWDM-NXOFHUPFSA-N	1	3	184.207	-1.686	50	30	investigational	AAEAHO
CC(=CN=NC(N)N)N=NC(N)=[NH2+]	4557060	166231024	/nfs/dbraw/zinc/23/10/24/166231024.db2.gz	MXWHMTNPTTVWDM-NXOFHUPFSA-N	1	3	184.207	-1.686	50	30	investigational	AAEAHO
NCC#CC[NH3+]	5112681	169173814	/nfs/dbraw/zinc/17/38/14/169173814.db2.gz	CSZGEDPWASKNHR-UHFFFAOYSA-N	1	3	84.122	-1.093	50	30		AAEAHO
CC(=CN=NC(N)=[NH2+])N=NC(N)N	252586019	344903717	/nfs/dbraw/zinc/90/37/17/344903717.db2.gz	MXWHMTNPTTVWDM-UHFFFAOYSA-N	1	3	184.207	-1.686	50	30	in-vitro	AAEAHO
CC(=CN=NC(N)N)N=NC(N)=[NH2+]	252586019	344903719	/nfs/dbraw/zinc/90/37/19/344903719.db2.gz	MXWHMTNPTTVWDM-UHFFFAOYSA-N	1	3	184.207	-1.686	50	30	in-vitro	AAEAHO