smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(Br)cc([C@@H]2NC(=O)[C@H]3COCCN32)c1[O-]	ZINC000093883172	294921412	/nfs/dbraw/zinc/92/14/12/294921412.db2.gz	ZSDDHOSDUQGVOX-BXKDBHETSA-N	-1	3	343.177	0.993	10	10		ECCEHM
CCOC(=O)N1CCN(/C=C2\SC([N-]C(C)=O)=NC2=O)CC1	ZINC000618254959	440089719	/nfs/dbraw/zinc/08/97/19/440089719.db2.gz	LAQIZHSWMKRIBK-NTMALXAHSA-N	-1	3	326.378	0.367	10	10		ECCEHM
O=C1N=C(N2CCN(CCO)CC2)S/C1=C/c1ccccc1[O-]	ZINC000020289510	212117078	/nfs/dbraw/zinc/11/70/78/212117078.db2.gz	IGFDLRQFNXTZKU-SDNWHVSQSA-N	-1	3	333.413	0.972	10	10		ECCEHM
COc1cccc([C@@H]2[NH2+][C@@](C)(C(=O)[O-])[C@H]3C(=O)N(C)C(=O)[C@H]23)c1[O-]	ZINC000019858477	295320560	/nfs/dbraw/zinc/32/05/60/295320560.db2.gz	XDQGAOKGLVNKPO-QUIZZNFMSA-N	-1	3	334.328	0.119	10	10		ECCEHM
COc1cc(Br)cc([C@@H]2NC(=O)[C@@H]3COCCN23)c1[O-]	ZINC000093883174	436490784	/nfs/dbraw/zinc/49/07/84/436490784.db2.gz	ZSDDHOSDUQGVOX-JOYOIKCWSA-N	-1	3	343.177	0.993	10	10		ECCEHM
COc1cc(Br)cc([C@H]2NC(=O)[C@@H]3COCCN32)c1[O-]	ZINC000093883175	294921276	/nfs/dbraw/zinc/92/12/76/294921276.db2.gz	ZSDDHOSDUQGVOX-CABZTGNLSA-N	-1	3	343.177	0.993	10	10		ECCEHM
COc1cccc([C@@H]2[NH2+][C@@](C)(C(=O)[O-])[C@@H]3C(=O)N(C)C(=O)[C@H]23)c1[O-]	ZINC000004693964	210249405	/nfs/dbraw/zinc/24/94/05/210249405.db2.gz	XDQGAOKGLVNKPO-ZGNZKYAMSA-N	-1	3	334.328	0.119	10	10		ECCEHM
COc1cc(Br)cc([C@H]2NC(=O)[C@H]3COCCN32)c1[O-]	ZINC000093883173	277367165	/nfs/dbraw/zinc/36/71/65/277367165.db2.gz	ZSDDHOSDUQGVOX-SKDRFNHKSA-N	-1	3	343.177	0.993	10	10		ECCEHM
Cc1nc(-c2ccc(F)cc2)c(N2CC(=O)C(=O)C(=O)C2=O)c(=O)[n-]1	ZINC000263584352	436970885	/nfs/dbraw/zinc/97/08/85/436970885.db2.gz	QPLHGNRSDVGZOU-UHFFFAOYSA-N	-1	3	343.270	0.351	10	10		ECCEHM
CC(=O)[N-]C1=NC(=O)C(=CNc2ccc(S(N)(=O)=O)cc2)S1	ZINC000618254462	440090839	/nfs/dbraw/zinc/09/08/39/440090839.db2.gz	BEWDZNQFHQPKOC-POHAHGRESA-N	-1	3	340.386	0.353	10	10		ECCEHM