smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000001114057	194028754	/nfs/dbraw/zinc/02/87/54/194028754.db2.gz	KTBPVBCRSZTNRV-UHFFFAOYSA-N	-2	1	476.248	1.908	50	10		JDCAML
CCOc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000001114057	194028757	/nfs/dbraw/zinc/02/87/57/194028757.db2.gz	KTBPVBCRSZTNRV-UHFFFAOYSA-N	-2	1	476.248	1.908	50	10		JDCAML
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000001114057	194028759	/nfs/dbraw/zinc/02/87/59/194028759.db2.gz	KTBPVBCRSZTNRV-UHFFFAOYSA-N	-2	1	476.248	1.908	50	10		JDCAML
O=C([O-])c1cccc(N2C(=O)[C@@H]3[C@H](C(=O)[O-])[NH2+][C@H](c4cc(Br)ccc4[O-])[C@H]3C2=O)c1	ZINC000106811999	569855826	/nfs/dbraw/zinc/85/58/26/569855826.db2.gz	SLTORHKXXXSKNZ-CAOSSQGBSA-N	-2	1	475.251	1.756	50	10		JDCAML
O=C([O-])c1cccc(N2C(=O)[C@H]3[C@@H](c4cc(Br)ccc4[O-])[NH2+][C@@H](C(=O)[O-])[C@H]3C2=O)c1	ZINC000245247240	570059248	/nfs/dbraw/zinc/05/92/48/570059248.db2.gz	SLTORHKXXXSKNZ-QKPAOTATSA-N	-2	1	475.251	1.756	50	10		JDCAML
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000016246762	520622290	/nfs/dbraw/zinc/62/22/90/520622290.db2.gz	MOBGNSALNZEPCL-UHFFFAOYSA-N	-2	1	460.180	1.743	50	10		JDCAML
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000016246762	520622296	/nfs/dbraw/zinc/62/22/96/520622296.db2.gz	MOBGNSALNZEPCL-UHFFFAOYSA-N	-2	1	460.180	1.743	50	10		JDCAML
O=C([O-])c1cccc(N2C(=O)[C@@H]3[C@H](C(=O)[O-])[NH2+][C@@H](c4cc(Br)ccc4[O-])[C@H]3C2=O)c1	ZINC000106812003	569855850	/nfs/dbraw/zinc/85/58/50/569855850.db2.gz	SLTORHKXXXSKNZ-YHUYYLMFSA-N	-2	1	475.251	1.756	50	10		JDCAML
O=C([O-])c1cccc(N2C(=O)[C@H]3[C@H](c4cc(Br)ccc4[O-])[NH2+][C@@H](C(=O)[O-])[C@H]3C2=O)c1	ZINC000226934344	570039571	/nfs/dbraw/zinc/03/95/71/570039571.db2.gz	SLTORHKXXXSKNZ-FXUDXRNXSA-N	-2	1	475.251	1.756	50	10		JDCAML