smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(NC(=O)CCl)cn4)CC3)CC2)cc1	ZINC001164760596	721046920	/nfs/dbraw/zinc/04/69/20/721046920.db2.gz	XJGFILAUNLPBEO-UHFFFAOYSA-N	1	0	426.992	4.450	20	50		IIGDRO
Cc1ccc(C[NH+]2CCC3(CCN(c4ncccc4NC(=O)CCl)CC3)CC2)cc1	ZINC001164759870	721045881	/nfs/dbraw/zinc/04/58/81/721045881.db2.gz	RIDJGUQIGCHGDN-UHFFFAOYSA-N	1	0	426.992	4.450	20	50		IIGDRO
CCOc1cc(C=NNC(=O)C[N+](C)(C)C)ccc1OCc1c(Cl)cccc1Cl	ZINC000916270886	717194216	/nfs/dbraw/zinc/19/42/16/717194216.db2.gz	SSXKALAQCIGMMM-UHFFFAOYSA-O	1	0	439.363	4.127	20	50		IIGDRO
C[N+](C)(C)CC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1	ZINC000916270415	717193294	/nfs/dbraw/zinc/19/32/94/717193294.db2.gz	DXKWZAFHDLTDGL-UHFFFAOYSA-O	1	0	438.555	4.363	20	50		IIGDRO
COc1cc(C=NNC(=O)C[N+](C)(C)C)ccc1OCc1c(C)cc(C(C)(C)C)cc1C	ZINC000916270597	717192664	/nfs/dbraw/zinc/19/26/64/717192664.db2.gz	JZSBOFCABQBLFP-UHFFFAOYSA-O	1	0	440.608	4.345	20	50		IIGDRO
CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C[N+](C)(C)C)cc1	ZINC000916270381	717192946	/nfs/dbraw/zinc/19/29/46/717192946.db2.gz	BAEBTSPRBIINBC-UHFFFAOYSA-O	1	0	436.605	4.198	20	50		IIGDRO
CCOc1cc(C=NNC(=O)C[N+](C)(C)C)ccc1OCc1ccc(C(C)(C)C)cc1	ZINC000916270446	717192652	/nfs/dbraw/zinc/19/26/52/717192652.db2.gz	GWAYVTWICOGUDG-UHFFFAOYSA-O	1	0	426.581	4.118	20	50		IIGDRO