smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)CC1CCN(Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1	ZINC000793748555	1078289996	/nfs/dbraw/zinc/28/99/96/1078289996.db2.gz	QYIBMZJOPLUSAG-UHFFFAOYSA-N	-2	3	403.500	2.585	20	10		HFCDHL
CC1(C)CN(C(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2[O-])C1	ZINC000790231507	1077981457	/nfs/dbraw/zinc/98/14/57/1077981457.db2.gz	OTEFCCYXUPYHSZ-UHFFFAOYSA-N	-2	3	405.432	2.583	20	10		HFCDHL
C[C@H]1CC[C@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000804855981	1078727294	/nfs/dbraw/zinc/72/72/94/1078727294.db2.gz	WCDZVYZFFFGUMG-MEDUHNTESA-N	-2	3	405.432	2.630	20	10		HFCDHL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1[O-]	ZINC000790405508	1078019488	/nfs/dbraw/zinc/01/94/88/1078019488.db2.gz	KKCNQUPLSXDXHJ-UHFFFAOYSA-N	-2	3	418.496	2.768	20	10		HFCDHL
O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000787719072	1076925186	/nfs/dbraw/zinc/92/51/86/1076925186.db2.gz	MUIZLUXUETYXPO-JLVBRIDZSA-N	-2	3	417.443	2.630	20	10		HFCDHL
O=C(c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-])N1CCCCCO1	ZINC000788569247	1077208457	/nfs/dbraw/zinc/20/84/57/1077208457.db2.gz	CRKJOMORGOLGGM-UHFFFAOYSA-N	-2	3	421.431	2.659	20	10		HFCDHL
C[C@@H]1CC[C@@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000804855980	1078727342	/nfs/dbraw/zinc/72/73/42/1078727342.db2.gz	WCDZVYZFFFGUMG-BZNIZROVSA-N	-2	3	405.432	2.630	20	10		HFCDHL
C[C@@H]1C[C@@H](C)N1C(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000792527278	1077887153	/nfs/dbraw/zinc/88/71/53/1077887153.db2.gz	CPOVZYWKEKAQMI-VXGBXAGGSA-N	-2	3	405.432	2.724	20	10		HFCDHL
CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(S(=O)(=O)NC)c2)cc1	ZINC000790406173	1078019126	/nfs/dbraw/zinc/01/91/26/1078019126.db2.gz	DGNFOBRZPJLQBH-UHFFFAOYSA-N	-2	3	412.533	2.789	20	10		HFCDHL
CC(C)(F)CNC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC001170364951	1077950787	/nfs/dbraw/zinc/95/07/87/1077950787.db2.gz	SFVJXZDXEXFUGJ-UHFFFAOYSA-N	-2	3	411.411	2.579	20	10		HFCDHL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)ccc1[O-]	ZINC000790407072	1078019629	/nfs/dbraw/zinc/01/96/29/1078019629.db2.gz	SBRNEZGGHIRGFJ-UHFFFAOYSA-N	-2	3	418.496	2.768	20	10		HFCDHL
COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1	ZINC000793444564	1078173189	/nfs/dbraw/zinc/17/31/89/1078173189.db2.gz	RQNUIPDWAXIBLC-UHFFFAOYSA-N	-2	3	403.815	2.919	20	10		HFCDHL
O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000787719070	1076925205	/nfs/dbraw/zinc/92/52/05/1076925205.db2.gz	MUIZLUXUETYXPO-HWWDLCQESA-N	-2	3	417.443	2.630	20	10		HFCDHL
C[C@H]1CC[C@@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000804855982	1078727211	/nfs/dbraw/zinc/72/72/11/1078727211.db2.gz	WCDZVYZFFFGUMG-ZBEGNZNMSA-N	-2	3	405.432	2.630	20	10		HFCDHL
C[C@@H]1C[C@H](C)N1C(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000792527277	1077887052	/nfs/dbraw/zinc/88/70/52/1077887052.db2.gz	CPOVZYWKEKAQMI-TXEJJXNPSA-N	-2	3	405.432	2.724	20	10		HFCDHL
C[C@H]1C[C@H](C)N1C(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000792527275	1077887183	/nfs/dbraw/zinc/88/71/83/1077887183.db2.gz	CPOVZYWKEKAQMI-RYUDHWBXSA-N	-2	3	405.432	2.724	20	10		HFCDHL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)ccc1[O-]	ZINC000790408060	1078019906	/nfs/dbraw/zinc/01/99/06/1078019906.db2.gz	VYCLOOKECHTTAN-UHFFFAOYSA-N	-2	3	412.533	2.690	20	10		HFCDHL
CC(C)=CCNC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000791002231	1077265134	/nfs/dbraw/zinc/26/51/34/1077265134.db2.gz	KZMVIWVFMOLVEP-UHFFFAOYSA-N	-2	3	405.432	2.797	20	10		HFCDHL
O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1c(F)ccc(O)c1[O-]	ZINC000789974521	1077902621	/nfs/dbraw/zinc/90/26/21/1077902621.db2.gz	RAYSMGQBGAIXEY-UHFFFAOYSA-N	-2	3	416.430	2.968	20	10		HFCDHL
C[C@@H]1CC[C@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000804855977	1078726790	/nfs/dbraw/zinc/72/67/90/1078726790.db2.gz	WCDZVYZFFFGUMG-BDJLRTHQSA-N	-2	3	405.432	2.630	20	10		HFCDHL