smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)SC(=S)N(NC(=O)Nc2ccccc2)[C@@H]1N([O-])C(=O)Nc1ccccc1	ZINC000008397329	556164178	/nfs/dbraw/zinc/16/41/78/556164178.db2.gz	NWSZLNODSFJNIH-OAHLLOKOSA-N	-1	1	431.543	4.085	10	0		IIAEMM
Cc1cc(C)c(CNC(=O)Cc2cc(=O)[n-]c(SCc3ccc(F)cc3)n2)c(C)c1	ZINC000064567243	568933546	/nfs/dbraw/zinc/93/35/46/568933546.db2.gz	ITXABKDOQPHXGL-UHFFFAOYSA-N	-1	1	425.529	4.398	10	0		IIAEMM
CC1(C)SC(=S)N(NC(=O)Nc2ccccc2)[C@H]1N([O-])C(=O)Nc1ccccc1	ZINC000008397327	556164175	/nfs/dbraw/zinc/16/41/75/556164175.db2.gz	NWSZLNODSFJNIH-HNNXBMFYSA-N	-1	1	431.543	4.085	10	0		IIAEMM
O=C(NC1CCC1)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cn2)cc1	ZINC000065320232	556915641	/nfs/dbraw/zinc/91/56/41/556915641.db2.gz	NUAOHOWBVGMFEB-UHFFFAOYSA-N	-1	1	441.484	4.096	10	0		IIAEMM
O=C([O-])CSc1nc2ccc(Cl)cc2c(=O)n1C1CCN(Cc2ccccc2)CC1	ZINC000073660711	527623051	/nfs/dbraw/zinc/62/30/51/527623051.db2.gz	JXCNNWSTOJWAJN-UHFFFAOYSA-N	-1	1	443.956	4.064	10	0		IIAEMM
O=C(NCc1ccncc1)c1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1	ZINC000012520835	562982563	/nfs/dbraw/zinc/98/25/63/562982563.db2.gz	LCAZEPQJQQCKOY-UHFFFAOYSA-N	-1	1	449.504	4.127	10	0		IIAEMM
O=C1COc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2CN1C1CCCCC1	ZINC000035887201	527015770	/nfs/dbraw/zinc/01/57/70/527015770.db2.gz	OCXHLEXYISEXGW-UHFFFAOYSA-N	-1	1	434.945	4.195	10	0		IIAEMM
Cc1c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cccc1-c1nc2cccnc2s1	ZINC000008670394	562960664	/nfs/dbraw/zinc/96/06/64/562960664.db2.gz	GIXAPGHMJJZPNO-UHFFFAOYSA-N	-1	1	439.518	4.239	10	0		IIAEMM
CC(C)(O)[C@H]1Cc2c([O-])c3c(=O)cc4c(c-3oc2-c2ccc(O)cc2O1)C=CC(C)(C)O4	ZINC000071341662	291379584	/nfs/dbraw/zinc/37/95/84/291379584.db2.gz	BKIVBOLDWRIFMA-LJQANCHMSA-N	-1	1	436.460	4.130	10	0	biogenic	IIAEMM
CC(C)=CCc1c([O-])c(CC=C(C)C)c2c(c1O)C(=O)[C@H](O)[C@@H](c1ccc(O)cc1O)O2	ZINC000033832203	556568448	/nfs/dbraw/zinc/56/84/48/556568448.db2.gz	GKENRJIRKFSNED-UKILVPOCSA-N	-1	1	440.492	4.204	10	0	biogenic,in-vitro	IIAEMM
CC(C)=CCc1cc([C@H]2Oc3cc([O-])cc(O)c3C(=O)[C@@H]2O)c(O)c(CC=C(C)C)c1O	ZINC000140338495	291379286	/nfs/dbraw/zinc/37/92/86/291379286.db2.gz	VESRPTMNCMGDBT-LOSJGSFVSA-N	-1	1	440.492	4.204	10	0	biogenic	IIAEMM
O=C(Cc1cc(=O)[n-]c(SCc2ccccc2)n1)NCc1ccccc1C(F)(F)F	ZINC000033313181	557098259	/nfs/dbraw/zinc/09/82/59/557098259.db2.gz	BTWSGTLMIWHOMP-UHFFFAOYSA-N	-1	1	433.455	4.352	10	0		IIAEMM
CC(C)(O)[C@@H]1Cc2c(=O)c3c([O-])cc4c(c3oc2-c2ccc(O)cc2O1)C=CC(C)(C)O4	ZINC000071341663	291379762	/nfs/dbraw/zinc/37/97/62/291379762.db2.gz	BKIVBOLDWRIFMA-IBGZPJMESA-N	-1	1	436.460	4.130	10	0	biogenic	IIAEMM
CC(C)(O)[C@@H]1Cc2c([O-])c3c(=O)cc4c(c-3oc2-c2ccc(O)cc2O1)C=CC(C)(C)O4	ZINC000071341663	291379764	/nfs/dbraw/zinc/37/97/64/291379764.db2.gz	BKIVBOLDWRIFMA-IBGZPJMESA-N	-1	1	436.460	4.130	10	0	biogenic	IIAEMM
Cc1ccc(S(=O)(=O)[N-]c2ccnc(C(=O)Nc3nc4ccc(C)cc4s3)c2)cc1	ZINC000009858583	556820011	/nfs/dbraw/zinc/82/00/11/556820011.db2.gz	MJAMZNZZNLKXRY-UHFFFAOYSA-N	-1	1	438.534	4.361	10	0		IIAEMM
CC(C)NC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nc1	ZINC000033138301	556869746	/nfs/dbraw/zinc/86/97/46/556869746.db2.gz	MEJOPCCOIUDEFW-UHFFFAOYSA-N	-1	1	445.541	4.311	10	0		IIAEMM