smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c([O-])n(-c4ccccc4)c(=S)[n-]c3=O)C2=O)cc1	ZINC000100137465	557111307	/nfs/dbraw/zinc/11/13/07/557111307.db2.gz	CKZASBIIUSLSHV-RBFDBLARSA-N	-3	3	448.460	1.568	40	10		IDCBHL
O=C1[N-]C(=S)NC(=O)C1=CNc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000003067185	569439690	/nfs/dbraw/zinc/43/96/90/569439690.db2.gz	YYQOQAZEMQLSOZ-UHFFFAOYSA-N	-2	3	436.902	1.968	40	10		IDCBHL
CCN1C(=O)/C(=C/c2cc(I)c([O-])c(OC)c2)C(=O)[N-]C1=S	ZINC000409393544	557097874	/nfs/dbraw/zinc/09/78/74/557097874.db2.gz	YFUKNFGAJOKUFU-XBXARRHUSA-N	-2	3	432.239	1.652	40	10		IDCBHL
Cc1ccc(N2C(=O)C(=Cc3c([O-])[nH]c(=O)[n-]c3=O)C(=O)N(c3ccccc3)C2=S)cc1	ZINC000016292715	556598483	/nfs/dbraw/zinc/59/84/83/556598483.db2.gz	FXLJMBICSFMANI-WJDWOHSUSA-N	-2	3	448.460	1.826	40	10		IDCBHL
Cc1cccc2c([O-])c(C=C3C(=O)N4C([S-])N=N[C@H]4N(c4ccccc4)C3=O)c(=O)[nH]c12	ZINC000068590011	556848791	/nfs/dbraw/zinc/84/87/91/556848791.db2.gz	FHSOOGISHXTCPC-SDQNTSPESA-N	-2	3	447.476	1.477	40	10		IDCBHL
Cc1cccc2c([O-])c(C=C3C(=O)N4C([S-])N=N[C@@H]4N(c4ccccc4)C3=O)c(=O)[nH]c12	ZINC000068590015	556848804	/nfs/dbraw/zinc/84/88/04/556848804.db2.gz	FHSOOGISHXTCPC-PLTPHKKDSA-N	-2	3	447.476	1.477	40	10		IDCBHL
O=C1[N-]C(=O)C(=Cc2cc(Br)cc(I)c2[O-])C(=O)N1	ZINC000146735424	569255146	/nfs/dbraw/zinc/25/51/46/569255146.db2.gz	OIBTVSOQSGXQET-UHFFFAOYSA-N	-2	3	436.987	1.509	40	10		IDCBHL
COc1ccccc1[N-]S(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000003067172	569439676	/nfs/dbraw/zinc/43/96/76/569439676.db2.gz	OGKGDHPXRWZZRK-UHFFFAOYSA-N	-2	3	432.483	1.323	40	10		IDCBHL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c([O-])n(-c4ccccc4)c(=S)[n-]c3=O)C2=O)cc1	ZINC000100137472	557111280	/nfs/dbraw/zinc/11/12/80/557111280.db2.gz	CKZASBIIUSLSHV-SFKKXYGYSA-N	-3	3	448.460	1.568	40	10		IDCBHL
Cc1cc(=O)[n-]c(Sc2oc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Br)n1	ZINC000409114050	556958563	/nfs/dbraw/zinc/95/85/63/556958563.db2.gz	IHZAWVGRLXXROH-UHFFFAOYSA-N	-2	3	441.288	1.912	40	10		IDCBHL
Cc1cc(=O)[n-]c(Sc2oc(C=C3C(=O)[N-]C(=O)NC3=O)cc2Br)n1	ZINC000409107149	556959106	/nfs/dbraw/zinc/95/91/06/556959106.db2.gz	QLVVORZJRKSOFP-UHFFFAOYSA-N	-2	3	425.220	1.747	40	10		IDCBHL