smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1	ZINC000044527673	343474145	/nfs/dbraw/zinc/47/41/45/343474145.db2.gz	QKMAUYKLPGKCBF-SNVBAGLBSA-N	2	1	254.761	2.216	40	10		CECBMP
[NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1	ZINC000044527674	343474316	/nfs/dbraw/zinc/47/43/16/343474316.db2.gz	QKMAUYKLPGKCBF-JTQLQIEISA-N	2	1	254.761	2.216	40	10		CECBMP
[NH3+]C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1	ZINC000219712734	370226708	/nfs/dbraw/zinc/22/67/08/370226708.db2.gz	IQLCNRHJGXVSBB-JTQLQIEISA-N	2	1	299.212	2.325	40	10		CECBMP
[NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1	ZINC000219712734	370226713	/nfs/dbraw/zinc/22/67/13/370226713.db2.gz	IQLCNRHJGXVSBB-JTQLQIEISA-N	2	1	299.212	2.325	40	10		CECBMP
[NH3+]C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1	ZINC000219712813	370226542	/nfs/dbraw/zinc/22/65/42/370226542.db2.gz	IQLCNRHJGXVSBB-SNVBAGLBSA-N	2	1	299.212	2.325	40	10		CECBMP
[NH3+]C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1	ZINC000219712813	370226546	/nfs/dbraw/zinc/22/65/46/370226546.db2.gz	IQLCNRHJGXVSBB-SNVBAGLBSA-N	2	1	299.212	2.325	40	10		CECBMP