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+](CCCn1c(=O)c2cc(Cl)ccc2nc1SCCC(=O)[O-])c1ccccc1	ZINC000073660424	521043748	/nfs/dbraw/zinc/04/37/48/521043748.db2.gz	JXDHKZGOUCXKAE-UHFFFAOYSA-N	0	2	445.972	4.533	10	0		IJAELN
CC[N@@H+](CCCn1c(=O)c2cc(Cl)ccc2nc1SCCC(=O)[O-])c1ccccc1	ZINC000073660424	521043757	/nfs/dbraw/zinc/04/37/57/521043757.db2.gz	JXDHKZGOUCXKAE-UHFFFAOYSA-N	0	2	445.972	4.533	10	0		IJAELN
O=C(Nc1ccccc1Sc1nc(Br)n[nH]1)c1ccc(C(F)(F)F)cc1	ZINC000033114950	556554253	/nfs/dbraw/zinc/55/42/53/556554253.db2.gz	RXSODDLSWMHEEJ-UHFFFAOYSA-N	0	2	443.248	4.990	10	0		IJAELN
Cc1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)[nH]2)cc1Cl	ZINC000022854446	525086217	/nfs/dbraw/zinc/08/62/17/525086217.db2.gz	MOVPJKGXVKOTFT-UHFFFAOYSA-N	0	2	435.336	4.514	10	0		IJAELN
O=C(O)c1cn(Cc2cccc(C(F)(F)F)c2)c2cc(N3CCCC3)c(F)cc2c1=O	ZINC000057346465	526402817	/nfs/dbraw/zinc/40/28/17/526402817.db2.gz	UYQXPVQGOTUHDZ-UHFFFAOYSA-N	0	2	434.389	4.506	10	0		IJAELN
O=C(O)c1cn(Cc2cccc(C(F)(F)F)c2)c2ccc(Br)cc2c1=O	ZINC000057344117	526402518	/nfs/dbraw/zinc/40/25/18/526402518.db2.gz	XOOKGRLRGMQWSS-UHFFFAOYSA-N	0	2	426.188	4.529	10	0		IJAELN