smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)[N-]c3ccc(C)cc3Br)c21	ZINC000004732192	552473359	/nfs/dbraw/zinc/47/33/59/552473359.db2.gz	KBIZUFVDFFVYCW-UHFFFAOYSA-N	-1	3	502.228	4.620	10	0		KJAEHM
Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)c(Br)c1	ZINC000004732271	552473381	/nfs/dbraw/zinc/47/33/81/552473381.db2.gz	MEZBIPRLTNSPEV-UHFFFAOYSA-N	-1	3	514.239	4.620	10	0		KJAEHM
CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)[N-]c2ccc(C)cc2Br)C[C@H]1C	ZINC000004732426	552473403	/nfs/dbraw/zinc/47/34/03/552473403.db2.gz	PILIVRVVOLVKPO-LLVKDONJSA-N	-1	3	502.228	4.618	10	0		KJAEHM
CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)[N-]c2ccc(C)cc2Br)C[C@@H]1C	ZINC000004732430	552473396	/nfs/dbraw/zinc/47/33/96/552473396.db2.gz	PILIVRVVOLVKPO-NSHDSACASA-N	-1	3	502.228	4.618	10	0		KJAEHM
O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)[N-]C(c3ccccc3)c3ccccc3)c21	ZINC000004758978	552476519	/nfs/dbraw/zinc/47/65/19/552476519.db2.gz	TVMGVRCEXHWQES-UHFFFAOYSA-N	-1	3	511.441	4.816	10	0		KJAEHM
Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2cc([O-])ccc2Cl)c(=O)n(-c2ccccc2)n1C	ZINC000008452883	561705527	/nfs/dbraw/zinc/70/55/27/561705527.db2.gz	OXQAMXYGXCZHJX-UHFFFAOYSA-N	-1	3	515.013	4.821	10	0		KJAEHM
O=C(CCSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)Nc1ccc2c(c1)C(=O)[N-]C2=O	ZINC000020290429	553635033	/nfs/dbraw/zinc/63/50/33/553635033.db2.gz	NXFFRAKWLGJMSH-UHFFFAOYSA-N	-1	3	503.971	4.592	10	0		KJAEHM
Cc1cc(-c2cc([O-])ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N(C)CCN4CCCC4)cc3)nc12	ZINC000028957649	561983284	/nfs/dbraw/zinc/98/32/84/561983284.db2.gz	NXTAONONNMIHOO-UHFFFAOYSA-N	-1	3	553.088	4.819	10	0		KJAEHM
Cc1cc(-c2c(Cl)ccc([O-])c2F)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12	ZINC000028957688	561983250	/nfs/dbraw/zinc/98/32/50/561983250.db2.gz	CSXVLYGUGWXOAL-UHFFFAOYSA-N	-1	3	557.051	4.616	10	0		KJAEHM
CC(C)(Cc1cccc(CC(=O)NCc2cccc(-c3ccc(O)cc3)c2)c1)[NH2+]C[C@H](O)c1ccc([O-])c([N-]S(C)(=O)=O)c1	ZINC000064490563	562705933	/nfs/dbraw/zinc/70/59/33/562705933.db2.gz	YPHDIMUXXABSSO-YTTGMZPUSA-N	-1	3	617.768	4.640	10	0	investigational	KJAEHM
Cc1cc(-c2c(Cl)ccc([O-])c2F)cc2nnc(Nc3ccc(S(=O)(=O)N(C)CCN4CCCC4)cc3)nc12	ZINC000096167824	562790686	/nfs/dbraw/zinc/79/06/86/562790686.db2.gz	TUSPWWFNLLJPQM-UHFFFAOYSA-N	-1	3	571.078	4.958	10	0		KJAEHM
CCCS(=O)(=O)[N-]c1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccccc4Cl)nc3c2)c1F	ZINC000096937590	562804291	/nfs/dbraw/zinc/80/42/91/562804291.db2.gz	LYHREBSMJYKING-UHFFFAOYSA-N	-1	3	505.934	4.961	10	0		KJAEHM
CCCS(=O)(=O)[N-]c1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(F)c(F)c4)nc3c2)c1F	ZINC000096937592	562804289	/nfs/dbraw/zinc/80/42/89/562804289.db2.gz	VAOXRZSJXYKAON-UHFFFAOYSA-N	-1	3	507.469	4.585	10	0		KJAEHM
CCCS(=O)(=O)[N-]c1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4cccc(Cl)c4)nc3c2)c1F	ZINC000096937596	562804310	/nfs/dbraw/zinc/80/43/10/562804310.db2.gz	KXJWYIDDHLEUGT-UHFFFAOYSA-N	-1	3	505.934	4.961	10	0		KJAEHM
CCCS(=O)(=O)[N-]c1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(Cl)cc4)nc3c2)c1F	ZINC000096937598	562804300	/nfs/dbraw/zinc/80/43/00/562804300.db2.gz	WAHIGHXXDPPBIF-UHFFFAOYSA-N	-1	3	505.934	4.961	10	0		KJAEHM
CN1CCN(c2ccc3[nH]c(-c4ccc5nc(-c6cccc(OCCCC(=O)[O-])c6)[nH]c5c4)nc3c2)CC1	ZINC000196177520	571564136	/nfs/dbraw/zinc/56/41/36/571564136.db2.gz	QXQZJBBLMSBZHP-UHFFFAOYSA-N	-1	3	510.598	4.769	10	0		KJAEHM
CN1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6cccc(OCCCC(=O)[O-])c6)nc5c4)nc3c2)CC1	ZINC000196177520	571564135	/nfs/dbraw/zinc/56/41/35/571564135.db2.gz	QXQZJBBLMSBZHP-UHFFFAOYSA-N	-1	3	510.598	4.769	10	0		KJAEHM