smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1c([O-])ccc(Cl)c1F	ZINC000756381556	1126108264	/nfs/dbraw/zinc/10/82/64/1126108264.db2.gz	HRHSZRIOVROUFQ-CQSZACIVSA-N	-1	0	441.684	4.214	20	10		IICDRM
Cc1cc(C(=O)Cn2nc(C(=O)[O-])c3ccccc3c2=O)c(C)n1-c1ccc(Cl)cc1	ZINC000003341662	562934444	/nfs/dbraw/zinc/93/44/44/562934444.db2.gz	XEPMLQFKEBTJEN-UHFFFAOYSA-N	-1	0	435.867	4.039	20	10	aggregator	IICDRM
O=C([O-])[C@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1c([O-])ccc(Cl)c1F	ZINC000756331767	1126107203	/nfs/dbraw/zinc/10/72/03/1126107203.db2.gz	CFRJIHGAMTUGMZ-HNNXBMFYSA-N	-1	0	441.684	4.214	20	10		IICDRM
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1Br	ZINC000013343152	562985785	/nfs/dbraw/zinc/98/57/85/562985785.db2.gz	LQRCBKVSQCOGDD-UVTDQMKNSA-N	-1	0	444.372	4.304	20	10		IICDRM
O=C([O-])[C@@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1c([O-])ccc(Cl)c1F	ZINC000756331769	1126107193	/nfs/dbraw/zinc/10/71/93/1126107193.db2.gz	CFRJIHGAMTUGMZ-OAHLLOKOSA-N	-1	0	441.684	4.214	20	10		IICDRM
O=C([O-])[C@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1c([O-])ccc(Cl)c1F	ZINC000756381554	1126108266	/nfs/dbraw/zinc/10/82/66/1126108266.db2.gz	HRHSZRIOVROUFQ-AWEZNQCLSA-N	-1	0	441.684	4.214	20	10		IICDRM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccc(Cl)cc2)cc1	ZINC000040406126	563101296	/nfs/dbraw/zinc/10/12/96/563101296.db2.gz	KYDFMBXPKDAQMV-UHFFFAOYSA-N	-1	0	428.897	4.330	20	10		IICDRM