smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cc(Cl)nnc1C(=O)[O-])[C@H]2CC	ZINC001164697154	719824612	/nfs/dbraw/zinc/82/46/12/719824612.db2.gz	AEBNELCBYANFBX-UGSOOPFHSA-N	-1	0	428.867	3.299	20	30		IGEDRM
C=CCN1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2C)CC1	ZINC001165032193	721870912	/nfs/dbraw/zinc/87/09/12/721870912.db2.gz	LMBBFOLNTCYBMY-UHFFFAOYSA-N	-1	0	441.532	3.186	20	30		IGEDRM
C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cc(Cl)nnc1C(=O)[O-])[C@@H]2CC	ZINC001164697152	719824797	/nfs/dbraw/zinc/82/47/97/719824797.db2.gz	AEBNELCBYANFBX-FZKQIMNGSA-N	-1	0	428.867	3.299	20	30		IGEDRM
C=CCN1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC001165032481	721870297	/nfs/dbraw/zinc/87/02/97/721870297.db2.gz	VFBYDYLSCUQJMY-UHFFFAOYSA-N	-1	0	443.960	3.392	20	30		IGEDRM
C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cc(Cl)nnc1C(=O)[O-])[C@@H]2CC	ZINC001164697151	719824720	/nfs/dbraw/zinc/82/47/20/719824720.db2.gz	AEBNELCBYANFBX-ACJLOTCBSA-N	-1	0	428.867	3.299	20	30		IGEDRM
C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cc(Cl)nnc1C(=O)[O-])[C@H]2CC	ZINC001164697153	719824581	/nfs/dbraw/zinc/82/45/81/719824581.db2.gz	AEBNELCBYANFBX-SCLBCKFNSA-N	-1	0	428.867	3.299	20	30		IGEDRM