smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CCN(C(=O)NCc3nnc(CS(C)(=O)=O)[nH]3)CC2)c(OC)c1	ZINC001479427099	1070084027	/nfs/dbraw/zinc/08/40/27/1070084027.db2.gz	CBCHMMRPKZDLJF-UHFFFAOYSA-N	0	2	438.510	0.398	20	10		ICCDLN
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(-n4[nH]c(=O)[nH]c4=O)cc3)cc2)CC1	ZINC001556199612	1072936583	/nfs/dbraw/zinc/93/65/83/1072936583.db2.gz	PZNYXMIFKPAPGG-UHFFFAOYSA-N	0	2	436.472	0.865	20	10		ICCDLN
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC001565043923	1071784150	/nfs/dbraw/zinc/78/41/50/1071784150.db2.gz	HVIMKZTVUQCKBH-HNNXBMFYSA-N	0	2	434.522	0.834	20	10		ICCDLN
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC001565043925	1071784315	/nfs/dbraw/zinc/78/43/15/1071784315.db2.gz	HVIMKZTVUQCKBH-OAHLLOKOSA-N	0	2	434.522	0.834	20	10		ICCDLN
C[NH+]1CCN(C(=O)CNC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)CC1	ZINC001607896977	1072687854	/nfs/dbraw/zinc/68/78/54/1072687854.db2.gz	MROTUULJAGRPTR-UHFFFAOYSA-N	0	2	438.531	0.758	20	10		ICCDLN