smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1[O-]	ZINC000002915399	136196524	/nfs/dbraw/zinc/19/65/24/136196524.db2.gz	HTXKOWACANYTOR-NTUHNPAUSA-N	-2	3	393.251	3.530	50	10		GHCAHL
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1[O-]	ZINC000002915915	570520912	/nfs/dbraw/zinc/52/09/12/570520912.db2.gz	KXJAXAPJZLOCDE-MDWZMJQESA-N	-2	3	393.251	3.530	50	10		GHCAHL
CC(C)n1[n-]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1cccnc1	ZINC000085875121	205130124	/nfs/dbraw/zinc/13/01/24/205130124.db2.gz	ZCSNUFPPPYMLMZ-UHFFFAOYSA-N	-2	3	376.372	3.678	50	10	biogenic	GHCAHL
COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc(Cl)c1[O-]	ZINC000000997437	570234462	/nfs/dbraw/zinc/23/44/62/570234462.db2.gz	RCQJWWJVZGUTMI-NSIKDUERSA-N	-2	3	386.791	3.559	50	10		GHCAHL
O=[N+]([O-])c1ccc(N2CCN(Cc3c([O-])c(Cl)cc(Cl)c3[O-])CC2)cc1	ZINC000025059873	570404739	/nfs/dbraw/zinc/40/47/39/570404739.db2.gz	ZCHMRIJWYZYVFT-UHFFFAOYSA-N	-2	3	398.246	3.635	50	10		GHCAHL
COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)cc(Cl)c1[O-]	ZINC000005034509	204105284	/nfs/dbraw/zinc/10/52/84/204105284.db2.gz	JGPNMRDRBDATOL-AUWJEWJLSA-N	-2	3	386.791	3.559	50	10		GHCAHL
O=S(=O)([N-]c1nccs1)c1ccc(NCc2cc(Cl)ccc2[O-])cc1	ZINC000000793992	570334434	/nfs/dbraw/zinc/33/44/34/570334434.db2.gz	ZYXOXRVBILGFMQ-UHFFFAOYSA-N	-2	3	395.893	3.915	50	10		GHCAHL
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc([O-])c(Cl)c1	ZINC000005756970	204149931	/nfs/dbraw/zinc/14/99/31/204149931.db2.gz	SIHIPCSMDSDSMP-WUXMJOGZSA-N	-2	3	393.251	3.530	50	10		GHCAHL
Cc1oc2c(ccc([O-])c2CN2CCC[C@@H]2C(=O)[O-])c(=O)c1Oc1ccccc1	ZINC000004025669	570904012	/nfs/dbraw/zinc/90/40/12/570904012.db2.gz	HCLIJTCRAIZVIZ-QGZVFWFLSA-N	-2	3	395.411	3.648	50	10	biogenic	GHCAHL
O=C([O-])CSc1cc([N-]S(=O)(=O)c2ccccc2)c2ccccc2c1[O-]	ZINC000000645676	206312204	/nfs/dbraw/zinc/31/22/04/206312204.db2.gz	WOOMMHUHOYPAOS-UHFFFAOYSA-N	-3	3	389.454	3.523	50	10		GHCAHL
CC(=O)C(=C(C)[O-])c1c2occ(C(=O)c3ccccc3)c2c(O)c([O-])c1Cl	ZINC000004038704	570355212	/nfs/dbraw/zinc/35/52/12/570355212.db2.gz	IIXFNJQVQREYEM-UHFFFAOYSA-N	-2	3	386.787	3.990	50	10	aggregator	GHCAHL
Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1C	ZINC000004980354	209554406	/nfs/dbraw/zinc/55/44/06/209554406.db2.gz	UTLSNXSHWQOXQS-UHFFFAOYSA-N	-2	3	377.462	3.806	50	10		GHCAHL
O=[N+]([O-])c1ccccc1Sc1cc([O-])c(O)c2ccc(S(=O)(=O)[O-])cc12	ZINC000003086345	570328039	/nfs/dbraw/zinc/32/80/39/570328039.db2.gz	JLEJNMVVBKUDIQ-UHFFFAOYSA-N	-2	3	393.398	3.557	50	10		GHCAHL
Cc1oc2c(ccc([O-])c2CN2CCC[C@@H]2C(=O)[O-])c(=O)c1-c1ccc(F)cc1	ZINC000026731203	570436489	/nfs/dbraw/zinc/43/64/89/570436489.db2.gz	ZBEYEZOELOMFRG-QGZVFWFLSA-N	-2	3	397.402	3.662	50	10	biogenic	GHCAHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc([O-])c3ccccc23)ccc1Cl	ZINC000004134543	570358904	/nfs/dbraw/zinc/35/89/04/570358904.db2.gz	JDYDEJYIVZNWQU-UHFFFAOYSA-N	-2	3	378.793	3.908	50	10		GHCAHL
COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc(Cl)c1[O-]	ZINC000096603207	570775143	/nfs/dbraw/zinc/77/51/43/570775143.db2.gz	RCQJWWJVZGUTMI-MKMNVTDBSA-N	-2	3	386.791	3.559	50	10		GHCAHL