smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@@H+](CCNC(N)=[NH2+])C1CC1	218001240	583491769	/nfs/dbraw/zinc/49/17/69/583491769.db2.gz	MLQFKCOZUOSLOQ-UHFFFAOYSA-N	2	1	170.260	-0.046	20	70		ABIDMP
COC[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+]	218647764	344414734	/nfs/dbraw/zinc/41/47/34/344414734.db2.gz	XNXAPYXBXMADAS-YUMQZZPRSA-N	2	1	176.260	-0.727	20	70		ABIDMP
CCNC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1	160599206	486975867	/nfs/dbraw/zinc/97/58/67/486975867.db2.gz	IBQFXLSHHWYGMY-RKDXNWHRSA-N	2	1	199.298	-0.208	20	70		ABIDMP
CCNC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1	160599206	486975873	/nfs/dbraw/zinc/97/58/73/486975873.db2.gz	IBQFXLSHHWYGMY-RKDXNWHRSA-N	2	1	199.298	-0.208	20	70		ABIDMP
CCNC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1	160599073	486976754	/nfs/dbraw/zinc/97/67/54/486976754.db2.gz	IBQFXLSHHWYGMY-BDAKNGLRSA-N	2	1	199.298	-0.208	20	70		ABIDMP
CCNC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1	160599073	486976750	/nfs/dbraw/zinc/97/67/50/486976750.db2.gz	IBQFXLSHHWYGMY-BDAKNGLRSA-N	2	1	199.298	-0.208	20	70		ABIDMP