smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)ccc1O	ZINC001210928193	1314411371	/nfs/dbraw/zinc/41/13/71/1314411371.db2.gz	YMDYLLRLHGKDJO-UHFFFAOYSA-N	-2	2	349.195	2.788	20	10		EFCDLL
COc1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)o1	ZINC001607250326	1097575248	/nfs/dbraw/zinc/57/52/48/1097575248.db2.gz	CASLJTZLRKWIRD-UHFFFAOYSA-N	-2	2	325.748	2.734	20	10		EFCDLL
O=C([O-])[C@H]1[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Br)c3O)C[C@@H]21	ZINC001602205076	1096116520	/nfs/dbraw/zinc/11/65/20/1096116520.db2.gz	TUFSYKHDNONMKU-JZYVYDRUSA-N	-2	2	346.608	2.571	20	10		EFCDLL
Cc1cc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)sn1	ZINC001600190661	1094857141	/nfs/dbraw/zinc/85/71/41/1094857141.db2.gz	QBECOJCOMHWQFP-UHFFFAOYSA-N	-2	2	326.805	2.897	20	10		EFCDLL
C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1Cc1cccc(F)c1O	ZINC000292803926	475203824	/nfs/dbraw/zinc/20/38/24/475203824.db2.gz	NXCJTMSVYLQNJN-BXKDBHETSA-N	-2	2	334.313	2.563	20	10		EFCDLL