smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])N=NC1CCN(CCO)CC1	819805769	583015075	/nfs/dbraw/zinc/01/50/75/583015075.db2.gz	ALEZLFCGBPOZCZ-UHFFFAOYSA-N	1	3	199.258	-1.086	20	30		AAEDHO
N#C[C@H]1CNC[C@@H]1NC(=O)C[NH3+]	306288746	345171417	/nfs/dbraw/zinc/17/14/17/345171417.db2.gz	NHUOJAQKJXOWLN-WDSKDSINSA-N	1	3	168.200	-1.827	20	30		AAEDHO
N#C[C@@H]1CNC[C@@H]1NC(=O)C[NH3+]	306288745	345171554	/nfs/dbraw/zinc/17/15/54/345171554.db2.gz	NHUOJAQKJXOWLN-RITPCOANSA-N	1	3	168.200	-1.827	20	30		AAEDHO
N#C[C@H]1CNC[C@H]1NC(=O)C[NH3+]	306288743	345171704	/nfs/dbraw/zinc/17/17/04/345171704.db2.gz	NHUOJAQKJXOWLN-NTSWFWBYSA-N	1	3	168.200	-1.827	20	30		AAEDHO
N#C[C@@H]1CNC[C@H]1NC(=O)C[NH3+]	306288744	345171736	/nfs/dbraw/zinc/17/17/36/345171736.db2.gz	NHUOJAQKJXOWLN-PHDIDXHHSA-N	1	3	168.200	-1.827	20	30		AAEDHO
CN1CC[C@](O)(CNC(N)=[NH2+])C1	306161720	757057393	/nfs/dbraw/zinc/05/73/93/757057393.db2.gz	GMHXHYZJPCKYTI-ZETCQYMHSA-N	1	3	172.232	-1.674	20	30		AAEDHO
CN1CC[C@@](O)(CNC(N)=[NH2+])C1	306161718	757057423	/nfs/dbraw/zinc/05/74/23/757057423.db2.gz	GMHXHYZJPCKYTI-SSDOTTSWSA-N	1	3	172.232	-1.674	20	30		AAEDHO