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(=O)/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)N1	ZINC000007099556	856391819	/nfs/dbraw/zinc/39/18/19/856391819.db2.gz	FJNSAWVTCTXSMO-UHFFFAOYSA-N	-1	2	395.418	3.592	40	0		GHABLM
O=C1[N-]C(=O)/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)N1	ZINC000007099556	856391827	/nfs/dbraw/zinc/39/18/27/856391827.db2.gz	FJNSAWVTCTXSMO-UHFFFAOYSA-N	-1	2	395.418	3.592	40	0		GHABLM
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1	ZINC000223370217	570951171	/nfs/dbraw/zinc/95/11/71/570951171.db2.gz	PHOKPDKCPUUYNL-UHFFFAOYSA-N	-1	2	397.733	3.997	40	0		GHABLM
COc1ccc(C)cc1C[N@H+]1CCC[C@@H]1c1nc(-c2ccccn2)cc(=O)[nH]1	ZINC000019133486	570958544	/nfs/dbraw/zinc/95/85/44/570958544.db2.gz	QXNFWICIWBSPDX-LJQANCHMSA-N	-1	2	376.460	3.898	40	0		GHABLM
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1	ZINC000223368405	570951233	/nfs/dbraw/zinc/95/12/33/570951233.db2.gz	UHFFFULDEJHKLE-UHFFFAOYSA-N	-1	2	397.733	3.997	40	0		GHABLM
CC(C)n1cc(C[N@@H+]2CCc3c(=O)[nH]c(-c4ccncc4)nc3C2)c2ccccc21	ZINC000072336837	570879984	/nfs/dbraw/zinc/87/99/84/570879984.db2.gz	MPCPKRMLDIYVGV-UHFFFAOYSA-N	-1	2	399.498	3.926	40	0		GHABLM
O=S(=O)(Nc1nnc2ccc3ccccc3n21)c1ccc(Cl)cc1[S-]	ZINC000001650668	206388759	/nfs/dbraw/zinc/38/87/59/206388759.db2.gz	ZXDAYDUEGZVMIB-UHFFFAOYSA-N	-1	2	390.877	3.625	40	0		GHABLM
O=S(c1cc(Br)ccc1[O-])c1cc(Br)ccc1O	ZINC000001868544	206393307	/nfs/dbraw/zinc/39/33/07/206393307.db2.gz	ZCOYXFAPPXRXMJ-UHFFFAOYSA-N	-1	2	392.068	3.790	40	0		GHABLM
Cc1cc(S(=O)(=O)Nc2nc(Nc3ccccc3)n[nH]2)c([S-])cc1Cl	ZINC000027312510	570433099	/nfs/dbraw/zinc/43/30/99/570433099.db2.gz	MOGUXFMGDHBSDL-UHFFFAOYSA-N	-1	2	395.897	3.600	40	0		GHABLM
Cc1ccc2nc(NS(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)sc2c1	ZINC000032611688	601843556	/nfs/dbraw/zinc/84/35/56/601843556.db2.gz	IEJDVDGDIRQPRK-UHFFFAOYSA-N	-1	2	382.850	3.757	40	0		GHABLM
CCOc1ccc2nc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3C)sc2c1	ZINC000020193683	957128176	/nfs/dbraw/zinc/12/81/76/957128176.db2.gz	BNRZHVFXXXROMB-UHFFFAOYSA-N	-1	2	392.458	3.502	40	0		GHABLM
CC(C)[C@@H]([NH2+]Cc1ccc(F)cc1)c1cc(=O)n2[nH]c(C3CCOCC3)cc2n1	ZINC000100769450	211391201	/nfs/dbraw/zinc/39/12/01/211391201.db2.gz	GWTUNJIXEYWSKI-JOCHJYFZSA-N	-1	2	398.482	3.955	40	0		GHABLM
Oc1ccc(Nc2nc([N-]c3nccs3)nc(Nc3nccs3)n2)cc1	ZINC000008857484	221061750	/nfs/dbraw/zinc/06/17/50/221061750.db2.gz	SZSVTFVBNOBNPL-UHFFFAOYSA-N	-1	2	384.450	3.721	40	0		GHABLM