smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1n[nH]c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-]	ZINC000116206486	1072056791	/nfs/dbraw/zinc/05/67/91/1072056791.db2.gz	PPUREJTUXZRQEB-UHFFFAOYSA-N	1	2	401.449	-1.124	20	5		HABDLO
Cc1[nH]nc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-]	ZINC000116206486	1072056779	/nfs/dbraw/zinc/05/67/79/1072056779.db2.gz	PPUREJTUXZRQEB-UHFFFAOYSA-N	1	2	401.449	-1.124	20	5		HABDLO
CN1CCN(S(=O)(=O)N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1	ZINC000441205204	1071173498	/nfs/dbraw/zinc/17/34/98/1071173498.db2.gz	QQABXJDTVVLMDE-HNNXBMFYSA-N	1	2	417.492	-1.738	20	5		HABDLO
CN1CCN(S(=O)(=O)N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1	ZINC000441205205	1071173519	/nfs/dbraw/zinc/17/35/19/1071173519.db2.gz	QQABXJDTVVLMDE-OAHLLOKOSA-N	1	2	417.492	-1.738	20	5		HABDLO
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1	ZINC000498194940	1071508418	/nfs/dbraw/zinc/50/84/18/1071508418.db2.gz	HUBKZVMWRAEANH-UHFFFAOYSA-N	1	2	415.476	-1.264	20	5		HABDLO
Cc1nn(C)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-]	ZINC000498570305	1071517627	/nfs/dbraw/zinc/51/76/27/1071517627.db2.gz	NDRYDSBSARGDPJ-UHFFFAOYSA-N	1	2	415.476	-1.113	20	5		HABDLO
O=C(Cn1cnc([N+](=O)[O-])n1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1	ZINC000512012025	1070928023	/nfs/dbraw/zinc/92/80/23/1070928023.db2.gz	XEMYJLLOSPJCJI-UHFFFAOYSA-N	1	2	424.443	-1.151	20	5		HABDLO