smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCn1c2cc(N3CC[NH+](C)CC3)c(N)cc2c(=O)c2c(O)cc(O)cc21	ZINC000026182396	563029623	/nfs/dbraw/zinc/02/96/23/563029623.db2.gz	YNPFMEHHSZIQQG-UHFFFAOYSA-N	2	2	439.560	2.242	1	5		IEBFLP
[NH3+]CCNC(=O)c1c2ncnc3c4ccccc4c(O)c(c32)c2c1N[C@@H]1CCCC[C@H]1[NH+]=2	ZINC000027871014	563047632	/nfs/dbraw/zinc/04/76/32/563047632.db2.gz	WDYQSAPKHJAPBL-HUUCEWRRSA-N	2	2	428.496	2.406	1	5		IEBFLP
[NH3+]CCNC(=O)c1c2ncnc3c4ccccc4c(O)c(c32)c2c1N[C@@H]1CCCC[C@@H]1[NH+]=2	ZINC000027872534	563047667	/nfs/dbraw/zinc/04/76/67/563047667.db2.gz	WDYQSAPKHJAPBL-LSDHHAIUSA-N	2	2	428.496	2.406	1	5		IEBFLP
C[NH+](C)CCNC(=O)c1ccc2c3c([nH]n2CC[NH+](C)C)c2cc([N+](=O)[O-])ccc2[nH+]c31	ZINC000026982158	563038534	/nfs/dbraw/zinc/03/85/34/563038534.db2.gz	OMDODBOTEVUESM-UHFFFAOYSA-N	3	2	437.504	2.432	1	5		IEBFLP