smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)C(=O)N2CCc1ccc(OC)cc1	ZINC000014531615	555819010	/nfs/dbraw/zinc/81/90/10/555819010.db2.gz	AIJFSESANKOVEC-QFIPXVFZSA-N	2	0	470.658	3.643	50	30		JHEARP
CC(C)N(C(=O)C[N+]12CC[N+](CC(=O)N(c3ccccc3)C(C)C)(CC1)CC2)c1ccccc1	ZINC000003167566	519562309	/nfs/dbraw/zinc/56/23/09/519562309.db2.gz	FORAIFLFRQIDEV-UHFFFAOYSA-N	2	0	464.654	3.530	50	30		JHEARP
C=C(C)CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)C(=O)N2CCc1ccc(OC)cc1	ZINC000014531616	555818946	/nfs/dbraw/zinc/81/89/46/555818946.db2.gz	AIJFSESANKOVEC-JOCHJYFZSA-N	2	0	470.658	3.643	50	30		JHEARP
CCC[NH+]1CCN(CCCNC(=S)Nc2ccc3nc(N4CC[NH+](CC)CC4)cc(C)c3c2)CC1	ZINC000022939348	555992682	/nfs/dbraw/zinc/99/26/82/555992682.db2.gz	ITGWHCJBHDFZBN-UHFFFAOYSA-N	2	0	497.757	3.801	50	30		JHEARP