smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CCCCC(=O)NCCC[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH2+]CC1CC1)NO	ZINC000028526358	563056941	/nfs/dbraw/zinc/05/69/41/563056941.db2.gz	MVCCTKCHRXVZJM-UHFFFAOYSA-N	4	2	442.649	0.497	1	30		ICEFLP
[NH2+]=C(NCCO)NN=Cc1c2ccccc2c(C=NNC(=[NH2+])NCCO)c2ccccc12	ZINC000043411463	563120276	/nfs/dbraw/zinc/12/02/76/563120276.db2.gz	HMQKOKGLZBRBQK-OCHFTUDZSA-N	2	2	434.504	0.454	1	30		ICEFLP
CC(=NNC(N)=[NH2+])c1cc(NC(=O)CCCCCNC(N)=[NH2+])cc(C(C)=NNC(N)=[NH2+])c1	ZINC000066259695	563160579	/nfs/dbraw/zinc/16/05/79/563160579.db2.gz	IXXQQNRFKZTEFJ-VBNCLUCLSA-N	3	2	444.548	0.083	1	30		ICEFLP
CC(C)C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NO	ZINC000084671692	563175357	/nfs/dbraw/zinc/17/53/57/563175357.db2.gz	ODMOSMMJOUTWGM-BZSNNMDCSA-N	2	2	430.509	0.043	1	30		ICEFLP
CC(C)C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NO	ZINC000084671692	563175356	/nfs/dbraw/zinc/17/53/56/563175356.db2.gz	ODMOSMMJOUTWGM-BZSNNMDCSA-N	2	2	430.509	0.043	1	30		ICEFLP