smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1Br	ZINC000003239662	557462807	/nfs/dbraw/zinc/46/28/07/557462807.db2.gz	RACVYGPEKAYHSA-UHFFFAOYSA-N	-2	1	400.250	3.347	50	0		HGAAML
CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1	ZINC000022960079	558528019	/nfs/dbraw/zinc/52/80/19/558528019.db2.gz	DSRCQZMRWSPVAY-UHFFFAOYSA-N	-2	1	404.488	3.033	50	0		HGAAML
O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccccc1	ZINC000245239873	569055287	/nfs/dbraw/zinc/05/52/87/569055287.db2.gz	GIRNNZHTRKWVQL-HBMCJLEFSA-N	-2	1	414.417	3.436	50	0		HGAAML
CCCCN(C)c1ncc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)[O-]	ZINC000064843232	569107097	/nfs/dbraw/zinc/10/70/97/569107097.db2.gz	POGCHFOIROCUKN-UHFFFAOYSA-N	-2	1	405.476	3.020	50	0		HGAAML
O=C([O-])c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000013805788	558595005	/nfs/dbraw/zinc/59/50/05/558595005.db2.gz	WDMCEWNAISSDKL-PWRODBHTSA-N	-2	1	414.417	3.436	50	0		HGAAML
COc1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cc(C(=O)[O-])c1OC	ZINC000095452396	568509428	/nfs/dbraw/zinc/50/94/28/568509428.db2.gz	KSQZXEYCXCKVDL-UHFFFAOYSA-N	-3	1	422.242	3.215	50	0		HGAAML
CCCCN(CC)c1ncc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1C(=O)[O-]	ZINC000035397503	569034914	/nfs/dbraw/zinc/03/49/14/569034914.db2.gz	XZDJKOZJLJCOFJ-UHFFFAOYSA-N	-2	1	413.446	3.485	50	0		HGAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2)cnc1N1CCCCCCC1	ZINC000035397581	569034934	/nfs/dbraw/zinc/03/49/34/569034934.db2.gz	KJAILRSKBNWJGA-UHFFFAOYSA-N	-2	1	407.467	3.490	50	0		HGAAML
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC000007779686	569309363	/nfs/dbraw/zinc/30/93/63/569309363.db2.gz	RAJCZANEIZCEBN-UHFFFAOYSA-N	-2	1	418.515	3.298	50	0		HGAAML
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1I	ZINC000013349961	569411005	/nfs/dbraw/zinc/41/10/05/569411005.db2.gz	KLNJTZWRKJBQII-UHFFFAOYSA-N	-2	1	417.224	3.099	50	0		HGAAML
CCc1cc2c([n-]c(=S)n([N-]C(=O)c3ccc(Br)o3)c2=O)s1	ZINC000017081814	558813706	/nfs/dbraw/zinc/81/37/06/558813706.db2.gz	WCSSAQVTESRYDT-UHFFFAOYSA-N	-2	1	400.279	3.422	50	0		HGAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)ccc1N1CCSCC1	ZINC000058366114	558922215	/nfs/dbraw/zinc/92/22/15/558922215.db2.gz	WNIFEKHDMPRKHR-UHFFFAOYSA-N	-2	1	414.455	3.017	50	0		HGAAML
O=C([O-])c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000102762383	560826336	/nfs/dbraw/zinc/82/63/36/560826336.db2.gz	WDMCEWNAISSDKL-HBMCJLEFSA-N	-2	1	414.417	3.436	50	0		HGAAML
CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)cc2c1C	ZINC000225583717	568654231	/nfs/dbraw/zinc/65/42/31/568654231.db2.gz	STOIYUHPNZXTIA-UHFFFAOYSA-N	-2	1	403.412	3.417	50	0		HGAAML
CCCCN(CC)c1ncc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1C(=O)[O-]	ZINC000035397482	569034958	/nfs/dbraw/zinc/03/49/58/569034958.db2.gz	ZXEMDXXCLXSJJI-UHFFFAOYSA-N	-2	1	407.492	3.216	50	0		HGAAML
Cc1cc(S(=O)(=O)[N-]c2ccccc2I)sc1C(=O)[O-]	ZINC000037225797	569240843	/nfs/dbraw/zinc/24/08/43/569240843.db2.gz	ONYJMJLUPWYELZ-UHFFFAOYSA-N	-2	1	423.253	3.160	50	0		HGAAML
Cc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000170636251	569278541	/nfs/dbraw/zinc/27/85/41/569278541.db2.gz	KYMIJCTZCFSZSR-UHFFFAOYSA-N	-2	1	400.438	3.175	50	0		HGAAML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccncc2)cc1C(=O)[O-]	ZINC000040139100	571188773	/nfs/dbraw/zinc/18/87/73/571188773.db2.gz	XWROMPGGIFEBRH-UHFFFAOYSA-N	-2	1	411.439	3.141	50	0		HGAAML
O=c1[nH]c2ccccc2c([O-])c1[C@@H](c1cccnc1)c1c([O-])[nH]c2ccccc2c1=O	ZINC000018223066	558834300	/nfs/dbraw/zinc/83/43/00/558834300.db2.gz	OLJMRTRHJNOSOS-UHFFFAOYSA-N	-2	1	411.417	3.356	50	0		HGAAML
Cc1ccc(S(=O)(=O)[N-]c2cc(-c3n[nH]c(=O)[n-]3)cc(C(F)(F)F)c2)cc1C	ZINC000058300359	558917614	/nfs/dbraw/zinc/91/76/14/558917614.db2.gz	GMZXQYUROTYAQV-UHFFFAOYSA-N	-2	1	412.393	3.201	50	0		HGAAML
CC(C)Cn1c2ccccc2c([O-])c(NC(=O)c2c([O-])c3ccccc3[nH]c2=O)c1=O	ZINC000100706811	559259167	/nfs/dbraw/zinc/25/91/67/559259167.db2.gz	ZLCQPRXKRNHTBY-UHFFFAOYSA-N	-2	1	419.437	3.163	50	0		HGAAML
CO[C@@]1(C)CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])CC1	ZINC000240757083	568730539	/nfs/dbraw/zinc/73/05/39/568730539.db2.gz	HWEJJSIOJOLVPG-IBGZPJMESA-N	-2	1	424.544	3.286	50	0		HGAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cnc1N1CCCC1	ZINC000035397465	569034901	/nfs/dbraw/zinc/03/49/01/569034901.db2.gz	JTGBPHWLLGRJDT-UHFFFAOYSA-N	-2	1	416.286	3.488	50	0		HGAAML
O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccccc1	ZINC000136041763	569359248	/nfs/dbraw/zinc/35/92/48/569359248.db2.gz	GIRNNZHTRKWVQL-NJYVYQBISA-N	-2	1	414.417	3.436	50	0		HGAAML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2)c1C	ZINC000030530912	558731727	/nfs/dbraw/zinc/73/17/27/558731727.db2.gz	GBAJUOVNJWOCPA-UHFFFAOYSA-N	-2	1	402.472	3.038	50	0		HGAAML
CN(Cc1ccccc1)c1ncc([N-]S(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-]	ZINC000021883354	568758112	/nfs/dbraw/zinc/75/81/12/568758112.db2.gz	MEQUNSKLZZMVSU-UHFFFAOYSA-N	-2	1	415.446	3.356	50	0		HGAAML
COc1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c(C(=O)[O-])cc1OC	ZINC000012556949	568855936	/nfs/dbraw/zinc/85/59/36/568855936.db2.gz	ADKDAJSJABRKLC-UHFFFAOYSA-N	-2	1	405.350	3.222	50	0		HGAAML
COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1OC(F)F	ZINC000059000082	568880669	/nfs/dbraw/zinc/88/06/69/568880669.db2.gz	PRQHXJMNGKOFCY-UHFFFAOYSA-N	-2	1	413.398	3.284	50	0		HGAAML
CCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1	ZINC000007987946	568965545	/nfs/dbraw/zinc/96/55/45/568965545.db2.gz	SHZPXYSZMWOQOI-UHFFFAOYSA-N	-2	1	417.512	3.246	50	0		HGAAML
CC(C)(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1	ZINC000025473695	558642072	/nfs/dbraw/zinc/64/20/72/558642072.db2.gz	YYTUTJNOEBOSJF-UHFFFAOYSA-N	-2	1	404.488	3.489	50	0		HGAAML
Cc1c(C(=O)[O-])sc2[n-]c(=S)n(NC(=O)c3ccc(C(C)C)cc3)c(=O)c12	ZINC000102236244	560808891	/nfs/dbraw/zinc/80/88/91/560808891.db2.gz	WESDVOHPJIIVBX-UHFFFAOYSA-N	-2	1	403.485	3.261	50	0		HGAAML
O=C([O-])COc1cc(Br)c(Br)c(Br)c1[O-]	ZINC000003097117	568855198	/nfs/dbraw/zinc/85/51/98/568855198.db2.gz	CQOYCHLSMIAGBQ-UHFFFAOYSA-N	-2	1	404.836	3.143	50	0		HGAAML
O=C([N-]n1c(=O)c2ccccc2[n-]c1=S)c1ccc(COc2ccc(F)cc2)o1	ZINC000002790274	557759746	/nfs/dbraw/zinc/75/97/46/557759746.db2.gz	QTYCHTYPWPIQTH-UHFFFAOYSA-N	-2	1	411.414	3.380	50	0		HGAAML
Cc1sc2[n-]c(=S)n([N-]C(=O)c3ccc(Br)o3)c(=O)c2c1C	ZINC000017081813	558813660	/nfs/dbraw/zinc/81/36/60/558813660.db2.gz	OVBHXFRESBDDIS-UHFFFAOYSA-N	-2	1	400.279	3.477	50	0		HGAAML
C[C@@H](CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)CC(=O)[O-]	ZINC000097165136	568769345	/nfs/dbraw/zinc/76/93/45/568769345.db2.gz	UTSUILWOXFKFNY-ZETCQYMHSA-N	-2	1	402.669	3.021	50	0		HGAAML
CC1CCN(c2ncc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2C(=O)[O-])CC1	ZINC000035397340	569034849	/nfs/dbraw/zinc/03/48/49/569034849.db2.gz	PRQHLGSEOHJWEF-UHFFFAOYSA-N	-2	1	411.430	3.095	50	0		HGAAML
O=c1[nH]c2ccccc2c([O-])c1[C@H](c1ccncc1)c1c([O-])[nH]c2ccccc2c1=O	ZINC000018240764	558834306	/nfs/dbraw/zinc/83/43/06/558834306.db2.gz	FHEJZTSQACPQBI-UHFFFAOYSA-N	-2	1	411.417	3.356	50	0		HGAAML
COCCOc1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c(C(=O)[O-])cc1OC	ZINC000010511973	571303955	/nfs/dbraw/zinc/30/39/55/571303955.db2.gz	HTSJOXNJHHOFOH-UHFFFAOYSA-N	-2	1	423.487	3.343	50	0		HGAAML
CCNc1ccc(C(=O)OCC)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000026540562	558662716	/nfs/dbraw/zinc/66/27/16/558662716.db2.gz	UWFDFPMXFUNTFS-UHFFFAOYSA-N	-2	1	406.460	3.103	50	0		HGAAML
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1C	ZINC000002726545	560587500	/nfs/dbraw/zinc/58/75/00/560587500.db2.gz	BKEUUBJWPIQHHV-UHFFFAOYSA-N	-2	1	423.541	3.362	50	0		HGAAML
O=C([O-])c1cc2ccccc2cc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1	ZINC000048302864	568437797	/nfs/dbraw/zinc/43/77/97/568437797.db2.gz	LPQPWAWQZPDGHK-UHFFFAOYSA-N	-2	1	410.451	3.466	50	0		HGAAML
Cc1cc(C)cc(S(=O)(=O)[N-]c2cnc(N3CCC(C)CC3)c(C(=O)[O-])c2)c1	ZINC000064843267	569107084	/nfs/dbraw/zinc/10/70/84/569107084.db2.gz	ISKQHCYRTFJNMS-UHFFFAOYSA-N	-2	1	403.504	3.434	50	0		HGAAML
O=C([O-])[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1	ZINC000428070059	939148509	/nfs/dbraw/zinc/14/85/09/939148509.db2.gz	NBTXPSLFGCQBDH-LJQANCHMSA-N	-2	1	410.451	3.043	50	0		HGAAML
CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)ccc2o1	ZINC000032595222	519105374	/nfs/dbraw/zinc/10/53/74/519105374.db2.gz	LUIATKOCEYPACO-UHFFFAOYSA-N	-2	1	404.444	3.390	50	0		HGAAML
COCc1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1	ZINC000042792560	523125937	/nfs/dbraw/zinc/12/59/37/523125937.db2.gz	TYYPCAKQHKEEAO-UHFFFAOYSA-N	-2	1	400.250	3.095	50	0		HGAAML
CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCOCC2)cc1	ZINC000033254063	558922477	/nfs/dbraw/zinc/92/24/77/558922477.db2.gz	QOAHIQBRJOJGPL-UHFFFAOYSA-N	-2	1	418.515	3.221	50	0		HGAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cnc1N1CCCCCC1	ZINC000035397441	569034855	/nfs/dbraw/zinc/03/48/55/569034855.db2.gz	VDLNYVKYMFLCOB-UHFFFAOYSA-N	-2	1	411.430	3.239	50	0		HGAAML
O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cccc(NC(=O)C4CC4)c3)c1)CCC2	ZINC000040156790	571203699	/nfs/dbraw/zinc/20/36/99/571203699.db2.gz	HCOYWKATOBBIHG-UHFFFAOYSA-N	-2	1	400.456	3.023	50	0		HGAAML
O=C([O-])[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccccc1	ZINC000426691083	939142909	/nfs/dbraw/zinc/14/29/09/939142909.db2.gz	GDBFPAAJYVHBSY-IBGZPJMESA-N	-2	1	410.451	3.043	50	0		HGAAML
CCc1c(C)scc1C(=O)Nn1c(=O)c2c(C)c(C(=O)[O-])sc2[n-]c1=S	ZINC000017088295	558817182	/nfs/dbraw/zinc/81/71/82/558817182.db2.gz	UDJXDMMKGYISCZ-UHFFFAOYSA-N	-2	1	409.514	3.443	50	0		HGAAML
O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2	ZINC000058308499	558918695	/nfs/dbraw/zinc/91/86/95/558918695.db2.gz	UVDJBDYXGSSSNB-UHFFFAOYSA-N	-2	1	404.350	3.183	50	0		HGAAML
Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])ccc1I	ZINC000095945911	559089331	/nfs/dbraw/zinc/08/93/31/559089331.db2.gz	PAJUUSKMCDDCIM-UHFFFAOYSA-N	-2	1	417.224	3.099	50	0		HGAAML
O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccccc1	ZINC000005144050	559252259	/nfs/dbraw/zinc/25/22/59/559252259.db2.gz	GIRNNZHTRKWVQL-NJDAHSKKSA-N	-2	1	414.417	3.436	50	0		HGAAML
Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccco3)c2)cc1C(=O)[O-]	ZINC000012544850	568850021	/nfs/dbraw/zinc/85/00/21/568850021.db2.gz	SRFWNWMNQJTCMF-UHFFFAOYSA-N	-2	1	400.412	3.339	50	0		HGAAML
COc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(F)cc1F	ZINC000065520969	569233475	/nfs/dbraw/zinc/23/34/75/569233475.db2.gz	VAAOMCRIBXNLQR-UHFFFAOYSA-N	-2	1	422.203	3.235	50	0		HGAAML
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)NCC1(CC(=O)[O-])CCCCC1	ZINC000012895853	569404699	/nfs/dbraw/zinc/40/46/99/569404699.db2.gz	PKWHGBVVIKOJJU-UHFFFAOYSA-N	-2	1	401.459	3.281	50	0	biogenic	HGAAML
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1	ZINC000002475175	559006829	/nfs/dbraw/zinc/00/68/29/559006829.db2.gz	VXEXELOVDNBUNW-UHFFFAOYSA-N	-2	1	409.514	3.053	50	0		HGAAML
O=C([O-])c1cc(F)c(Br)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c1	ZINC000096011302	568684060	/nfs/dbraw/zinc/68/40/60/568684060.db2.gz	PAULGGGQYUGCEF-UHFFFAOYSA-N	-2	1	410.167	3.365	50	0		HGAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccco3)c2)ccc1F	ZINC000012605415	568871038	/nfs/dbraw/zinc/87/10/38/568871038.db2.gz	ZUAHDQAZROLVLD-UHFFFAOYSA-N	-2	1	404.375	3.170	50	0		HGAAML
COc1ccc(C2=NN(c3nc([O-])c(CC(=O)[O-])s3)[C@@H](c3ccccc3)C2)cc1	ZINC000252493909	569290696	/nfs/dbraw/zinc/29/06/96/569290696.db2.gz	NGHDDHMVLIPUQN-MSOLQXFVSA-N	-2	1	409.467	3.319	50	0		HGAAML
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000013469676	558533756	/nfs/dbraw/zinc/53/37/56/558533756.db2.gz	NHWSVAGUASKVBH-HZPDHXFCSA-N	-2	1	418.446	3.232	50	0		HGAAML
Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)ccc1I	ZINC000096305768	559109123	/nfs/dbraw/zinc/10/91/23/559109123.db2.gz	NKHTTWGHYZGFAP-UHFFFAOYSA-N	-2	1	417.224	3.099	50	0		HGAAML
CCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc21	ZINC000000816420	568495432	/nfs/dbraw/zinc/49/54/32/568495432.db2.gz	CPVXADQCQFVSSO-UHFFFAOYSA-N	-2	1	403.412	3.417	50	0		HGAAML
CCOc1cc([N-]S(=O)(=O)c2cccc(N(C)C)c2)c(C(=O)[O-])cc1OCC	ZINC000170616529	569247453	/nfs/dbraw/zinc/24/74/53/569247453.db2.gz	WCECCRHUCHLSMG-UHFFFAOYSA-N	-2	1	408.476	3.049	50	0		HGAAML
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1	ZINC000079066351	569426596	/nfs/dbraw/zinc/42/65/96/569426596.db2.gz	XJIICKFOASBXGO-UHFFFAOYSA-N	-2	1	408.863	3.274	50	0		HGAAML
O=C([O-])[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccccc1	ZINC000428019843	939145957	/nfs/dbraw/zinc/14/59/57/939145957.db2.gz	GDBFPAAJYVHBSY-LJQANCHMSA-N	-2	1	410.451	3.043	50	0		HGAAML
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)cc1	ZINC000032971126	525077557	/nfs/dbraw/zinc/07/75/57/525077557.db2.gz	JQLVJIZECWHGMS-AWEZNQCLSA-N	-2	1	404.488	3.431	50	0		HGAAML
O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)c3ccccc3)c2)c1	ZINC000000786447	557080405	/nfs/dbraw/zinc/08/04/05/557080405.db2.gz	JMWQMWUDFMDSOF-UHFFFAOYSA-N	-2	1	417.464	3.018	50	0		HGAAML
CCOc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])ccc1Br	ZINC000008845849	557811911	/nfs/dbraw/zinc/81/19/11/557811911.db2.gz	OCZLOXFTBCNLLE-UHFFFAOYSA-N	-2	1	400.250	3.347	50	0		HGAAML
CCC(C)(C)C1CCC(NC(=O)CSc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)CC1	ZINC000012997076	558498869	/nfs/dbraw/zinc/49/88/69/558498869.db2.gz	NUZXYMGPNQQXMV-UHFFFAOYSA-N	-2	1	423.579	3.299	50	0		HGAAML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(Cl)c2N2CCOCC2)c1C	ZINC000014097868	569258635	/nfs/dbraw/zinc/25/86/35/569258635.db2.gz	RFCVVICONKLKDS-UHFFFAOYSA-N	-2	1	424.906	3.292	50	0		HGAAML
CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCOCC2)cc1	ZINC000032971216	519838848	/nfs/dbraw/zinc/83/88/48/519838848.db2.gz	AIMRMZHBRWDOGX-UHFFFAOYSA-N	-2	1	404.488	3.146	50	0		HGAAML
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)[O-]	ZINC000020285047	568596932	/nfs/dbraw/zinc/59/69/32/568596932.db2.gz	BQAGIWDTHFDLKO-UHFFFAOYSA-N	-2	1	422.890	3.203	50	0		HGAAML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)cc1	ZINC000012560828	568858056	/nfs/dbraw/zinc/85/80/56/568858056.db2.gz	VKWWTXPTBQXFQB-UHFFFAOYSA-N	-2	1	403.485	3.396	50	0		HGAAML
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)[O-])cc1Cl	ZINC000015943973	568983558	/nfs/dbraw/zinc/98/35/58/568983558.db2.gz	RPSZQOZWFULXOI-UHFFFAOYSA-N	-2	1	422.890	3.203	50	0		HGAAML
O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3/NC(=O)[N-]C3=O)cc2Cl)cc1	ZINC000001101252	557178996	/nfs/dbraw/zinc/17/89/96/557178996.db2.gz	XBTDPDAMSTXJPR-VGOFMYFVSA-N	-2	1	407.209	3.451	50	0		HGAAML
COc1ccc(C2=NN(c3nc([O-])c(CC(=O)[O-])s3)[C@@H](c3ccccc3)C2)cc1	ZINC000252493910	569290731	/nfs/dbraw/zinc/29/07/31/569290731.db2.gz	NGHDDHMVLIPUQN-QZTJIDSGSA-N	-2	1	409.467	3.319	50	0		HGAAML
O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cccc(N4CCCCC4=O)c3)c1)CCC2	ZINC000040156791	571203773	/nfs/dbraw/zinc/20/37/73/571203773.db2.gz	LECNTFMPXNUGJV-UHFFFAOYSA-N	-2	1	414.483	3.191	50	0		HGAAML
CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)cc1F	ZINC000072301306	521129739	/nfs/dbraw/zinc/12/97/39/521129739.db2.gz	QPDKRPVIMPIIFI-UHFFFAOYSA-N	-2	1	418.240	3.486	50	0		HGAAML
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC(C)CC2)cc1	ZINC000032971102	525078047	/nfs/dbraw/zinc/07/80/47/525078047.db2.gz	DMVRGVAALDCWMM-UHFFFAOYSA-N	-2	1	404.488	3.431	50	0		HGAAML
O=C([O-])c1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000005501519	560601179	/nfs/dbraw/zinc/60/11/79/560601179.db2.gz	WDMCEWNAISSDKL-NJDAHSKKSA-N	-2	1	414.417	3.436	50	0		HGAAML
CO[C@]1(C)CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])CC1	ZINC000240757084	568730644	/nfs/dbraw/zinc/73/06/44/568730644.db2.gz	HWEJJSIOJOLVPG-LJQANCHMSA-N	-2	1	424.544	3.286	50	0		HGAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCCCC4)cc2)c1	ZINC000003300407	568876359	/nfs/dbraw/zinc/87/63/59/568876359.db2.gz	RDLYQXNTFSSAEN-UHFFFAOYSA-N	-2	1	412.471	3.171	50	0		HGAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)c1	ZINC000013344621	569410684	/nfs/dbraw/zinc/41/06/84/569410684.db2.gz	IQKGJMXSPFTSDV-UHFFFAOYSA-N	-2	1	412.471	3.171	50	0		HGAAML
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000013469673	558533647	/nfs/dbraw/zinc/53/36/47/558533647.db2.gz	NHWSVAGUASKVBH-JKSUJKDBSA-N	-2	1	418.446	3.232	50	0		HGAAML
CCN(CC)c1ncc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1C(=O)[O-]	ZINC000035397659	569035008	/nfs/dbraw/zinc/03/50/08/569035008.db2.gz	QAWQQPRNWCSSMU-UHFFFAOYSA-N	-2	1	413.883	3.089	50	0		HGAAML
COc1ccc(C2=NN(c3nc([O-])c(CC(=O)[O-])s3)[C@H](c3ccccc3)C2)cc1	ZINC000252493912	569290758	/nfs/dbraw/zinc/29/07/58/569290758.db2.gz	NGHDDHMVLIPUQN-ZWKOTPCHSA-N	-2	1	409.467	3.319	50	0		HGAAML
O=C([O-])[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1	ZINC000426720475	939145028	/nfs/dbraw/zinc/14/50/28/939145028.db2.gz	NBTXPSLFGCQBDH-IBGZPJMESA-N	-2	1	410.451	3.043	50	0		HGAAML
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)cc1	ZINC000032971125	525076627	/nfs/dbraw/zinc/07/66/27/525076627.db2.gz	JQLVJIZECWHGMS-CQSZACIVSA-N	-2	1	404.488	3.431	50	0		HGAAML
CCCN(CCC)c1ncc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)[O-]	ZINC000064843309	569107072	/nfs/dbraw/zinc/10/70/72/569107072.db2.gz	ZYCOJNNYVURYQX-UHFFFAOYSA-N	-2	1	419.503	3.410	50	0		HGAAML
COc1ccc(C2=NN(c3nc([O-])c(CC(=O)[O-])s3)[C@H](c3ccccc3)C2)cc1	ZINC000252493911	569290716	/nfs/dbraw/zinc/29/07/16/569290716.db2.gz	NGHDDHMVLIPUQN-ROUUACIJSA-N	-2	1	409.467	3.319	50	0		HGAAML
O=c1[nH]c2ccccc2c([O-])c1[C@@H](c1ccccn1)c1c([O-])[nH]c2ccccc2c1=O	ZINC000018223064	558834275	/nfs/dbraw/zinc/83/42/75/558834275.db2.gz	APFDPPRPERYZQV-UHFFFAOYSA-N	-2	1	411.417	3.356	50	0		HGAAML
CCOc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)ccc1Br	ZINC000011613979	558264559	/nfs/dbraw/zinc/26/45/59/558264559.db2.gz	ZHZREOCHGPIVNB-UHFFFAOYSA-N	-2	1	400.250	3.347	50	0		HGAAML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-n2cc(Br)cn2)cc1	ZINC000071976241	558338914	/nfs/dbraw/zinc/33/89/14/558338914.db2.gz	SOGGRIFCJYQHNP-UHFFFAOYSA-N	-2	1	422.260	3.134	50	0		HGAAML
COc1cc(CC(=O)[O-])c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1OC	ZINC000095929234	568660315	/nfs/dbraw/zinc/66/03/15/568660315.db2.gz	ZEDVQCIUCVXQSI-UHFFFAOYSA-N	-2	1	419.377	3.151	50	0		HGAAML
O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)OCCO2	ZINC000013090207	569408832	/nfs/dbraw/zinc/40/88/32/569408832.db2.gz	SGCRLCRAUVXRST-UHFFFAOYSA-N	-2	1	404.227	3.264	50	0		HGAAML
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000013469674	558533701	/nfs/dbraw/zinc/53/37/01/558533701.db2.gz	NHWSVAGUASKVBH-HOTGVXAUSA-N	-2	1	418.446	3.232	50	0		HGAAML
COCc1c(Br)cccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000071820801	558825384	/nfs/dbraw/zinc/82/53/84/558825384.db2.gz	YRTIZYVLSGWLCV-UHFFFAOYSA-N	-2	1	400.250	3.095	50	0		HGAAML
Cc1ccc(S(=O)(=O)[N-]c2cccc(I)c2)cc1C(=O)[O-]	ZINC000020302158	560883493	/nfs/dbraw/zinc/88/34/93/560883493.db2.gz	VKLPPPIZRZTGQE-UHFFFAOYSA-N	-2	1	417.224	3.099	50	0		HGAAML
COCc1cccc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c1	ZINC000026547435	568552375	/nfs/dbraw/zinc/55/23/75/568552375.db2.gz	MQFSYXUIGLPZQY-UHFFFAOYSA-N	-2	1	400.250	3.095	50	0		HGAAML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(I)cc1	ZINC000012521414	568841898	/nfs/dbraw/zinc/84/18/98/568841898.db2.gz	WNIHYZCYRUUCCH-UHFFFAOYSA-N	-2	1	417.224	3.099	50	0		HGAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)c1	ZINC000012507961	568839881	/nfs/dbraw/zinc/83/98/81/568839881.db2.gz	IJKGRTCZQHTZBI-UHFFFAOYSA-N	-2	1	403.485	3.396	50	0		HGAAML
CCOc1ccc(S(=O)(=O)[N-]c2cnc(N3CCCCCC3)c(C(=O)[O-])c2)cc1	ZINC000035397438	569034808	/nfs/dbraw/zinc/03/48/08/569034808.db2.gz	CAUPJQZKOQGYIV-UHFFFAOYSA-N	-2	1	419.503	3.360	50	0		HGAAML
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1OC(F)F	ZINC000029326935	558713683	/nfs/dbraw/zinc/71/36/83/558713683.db2.gz	SHRDPOCNRIRAJT-UHFFFAOYSA-N	-2	1	401.387	3.412	50	0		HGAAML
CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1	ZINC000005135099	559250357	/nfs/dbraw/zinc/25/03/57/559250357.db2.gz	HTCKGVRXMOZWFO-UHFFFAOYSA-N	-2	1	404.488	3.284	50	0		HGAAML
COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1Br	ZINC000047202388	560884430	/nfs/dbraw/zinc/88/44/30/560884430.db2.gz	PGJJHPJFMFVLRE-UHFFFAOYSA-N	-2	1	404.213	3.096	50	0		HGAAML
Cc1ccc(C)c(S(=O)(=O)[N-]c2cnc(N3CCC(C)CC3)c(C(=O)[O-])c2)c1	ZINC000035397328	569034826	/nfs/dbraw/zinc/03/48/26/569034826.db2.gz	XHRGBBXNHCALIL-UHFFFAOYSA-N	-2	1	403.504	3.434	50	0		HGAAML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)cc1	ZINC000007729052	569303467	/nfs/dbraw/zinc/30/34/67/569303467.db2.gz	JPSQNBBTPRCNJG-UHFFFAOYSA-N	-2	1	411.361	3.390	50	0		HGAAML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCC4)c2)c1C	ZINC000022835214	557835017	/nfs/dbraw/zinc/83/50/17/557835017.db2.gz	HIYGEAJSDGKLGW-UHFFFAOYSA-N	-2	1	412.471	3.007	50	0		HGAAML
O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccccc1	ZINC000013758321	558590826	/nfs/dbraw/zinc/59/08/26/558590826.db2.gz	GIRNNZHTRKWVQL-PWRODBHTSA-N	-2	1	414.417	3.436	50	0		HGAAML
CCCCN(C)c1ncc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1C(=O)[O-]	ZINC000035397268	569034881	/nfs/dbraw/zinc/03/48/81/569034881.db2.gz	PDBLBIZWTULZIY-UHFFFAOYSA-N	-2	1	407.492	3.216	50	0		HGAAML
CCc1ccc(S(=O)(=O)[N-]c2cnc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1	ZINC000035397337	569034905	/nfs/dbraw/zinc/03/49/05/569034905.db2.gz	GQRADGPFJPGDBR-UHFFFAOYSA-N	-2	1	403.504	3.379	50	0		HGAAML
CCN(CC)c1ncc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1C(=O)[O-]	ZINC000035397650	569034929	/nfs/dbraw/zinc/03/49/29/569034929.db2.gz	OYLSCLHXDLKHSI-UHFFFAOYSA-N	-2	1	403.504	3.306	50	0		HGAAML
CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O	ZINC000013278969	558528587	/nfs/dbraw/zinc/52/85/87/558528587.db2.gz	FRQXDFRXUKXWPE-UHFFFAOYSA-N	-2	1	420.512	3.207	50	0		HGAAML
O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)C1	ZINC000025501538	558642340	/nfs/dbraw/zinc/64/23/40/558642340.db2.gz	LSZDYTXRUCYGIT-OAHLLOKOSA-N	-2	1	410.451	3.078	50	0		HGAAML
CCCOc1ccc(C(=O)Nn2c(=O)c3c(C)c(C(=O)[O-])sc3[n-]c2=S)cc1	ZINC000017091835	558820339	/nfs/dbraw/zinc/82/03/39/558820339.db2.gz	TXYKJIXJFCQIMA-UHFFFAOYSA-N	-2	1	419.484	3.300	50	0		HGAAML
O=C([O-])c1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000102762384	560826296	/nfs/dbraw/zinc/82/62/96/560826296.db2.gz	WDMCEWNAISSDKL-NJYVYQBISA-N	-2	1	414.417	3.436	50	0		HGAAML
C[C@H](CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)CC(=O)[O-]	ZINC000097165137	568769365	/nfs/dbraw/zinc/76/93/65/568769365.db2.gz	UTSUILWOXFKFNY-SSDOTTSWSA-N	-2	1	402.669	3.021	50	0		HGAAML
CCCCN(CC)c1ncc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)[O-]	ZINC000064843353	569106836	/nfs/dbraw/zinc/10/68/36/569106836.db2.gz	VJQUZLFVWCVJOX-UHFFFAOYSA-N	-2	1	419.503	3.410	50	0		HGAAML
CC(=O)c1ccc(S(=O)(=O)[N-]c2cnc(N3CCCCCC3)c(C(=O)[O-])c2)cc1	ZINC000064843323	569107251	/nfs/dbraw/zinc/10/72/51/569107251.db2.gz	QVNGVBJQXZGURZ-UHFFFAOYSA-N	-2	1	417.487	3.164	50	0		HGAAML
O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)OCCO2	ZINC000013090233	569408836	/nfs/dbraw/zinc/40/88/36/569408836.db2.gz	ZVRPUEJEJCAQQZ-UHFFFAOYSA-N	-2	1	404.227	3.264	50	0		HGAAML
Cc1cc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)no1	ZINC000013949653	558607492	/nfs/dbraw/zinc/60/74/92/558607492.db2.gz	CRYYYFNVPLIDNN-UHFFFAOYSA-N	-2	1	421.500	3.201	50	0		HGAAML
O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)C1	ZINC000025501534	558642372	/nfs/dbraw/zinc/64/23/72/558642372.db2.gz	LSZDYTXRUCYGIT-HNNXBMFYSA-N	-2	1	410.451	3.078	50	0		HGAAML
CCCCn1c2ccccc2c([O-])c(C(=O)Nc2c([O-])c3ccccc3[nH]c2=O)c1=O	ZINC000100706616	559138104	/nfs/dbraw/zinc/13/81/04/559138104.db2.gz	VLVNQLQGAFNFHE-UHFFFAOYSA-N	-2	1	419.437	3.307	50	0		HGAAML
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl	ZINC000014097612	559150808	/nfs/dbraw/zinc/15/08/08/559150808.db2.gz	DNNYQYSABQRIHE-UHFFFAOYSA-N	-2	1	403.243	3.451	50	0		HGAAML
CCCN(CCC)c1ncc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1C(=O)[O-]	ZINC000035397395	569034909	/nfs/dbraw/zinc/03/49/09/569034909.db2.gz	UFRACRYHSKWWMY-UHFFFAOYSA-N	-2	1	413.446	3.485	50	0		HGAAML
CCOc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)ccc1Br	ZINC000008715823	557801587	/nfs/dbraw/zinc/80/15/87/557801587.db2.gz	GIBPMOZTRVANCF-UHFFFAOYSA-N	-2	1	400.250	3.347	50	0		HGAAML
CCCCn1c([O-])c(C(=O)NC2C(=O)c3ccccc3N=C2[O-])c(=O)c2ccccc21	ZINC000005883667	568828159	/nfs/dbraw/zinc/82/81/59/568828159.db2.gz	LDASYOVQSDPEDS-UHFFFAOYSA-N	-2	1	419.437	3.307	50	0		HGAAML
COc1cc(S(=O)(=O)[N-]c2cc(C3CCCCCC3)n[nH]2)cc(C(=O)[O-])c1OC	ZINC000083921303	568925649	/nfs/dbraw/zinc/92/56/49/568925649.db2.gz	ZJAFDGGCKQUNID-UHFFFAOYSA-N	-2	1	423.491	3.364	50	0		HGAAML
COc1ccc(S(=O)(=O)[N-]c2cnc(N3CCCCCCC3)c(C(=O)[O-])c2)cc1	ZINC000035397585	569034918	/nfs/dbraw/zinc/03/49/18/569034918.db2.gz	AVZQGNHYUMIPME-UHFFFAOYSA-N	-2	1	419.503	3.360	50	0		HGAAML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Sc2nncs2)cc1	ZINC000040150865	571199089	/nfs/dbraw/zinc/19/90/89/571199089.db2.gz	NWUVZIVAYGNAKD-UHFFFAOYSA-N	-2	1	407.498	3.497	50	0		HGAAML
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000013469678	558533772	/nfs/dbraw/zinc/53/37/72/558533772.db2.gz	NHWSVAGUASKVBH-CVEARBPZSA-N	-2	1	418.446	3.232	50	0		HGAAML
Cc1ccc(F)cc1S(=O)(=O)[N-]c1cnc(N2CCC(C)CC2)c(C(=O)[O-])c1	ZINC000021883353	568758033	/nfs/dbraw/zinc/75/80/33/568758033.db2.gz	XLFDWMRZDZJIIF-UHFFFAOYSA-N	-2	1	407.467	3.264	50	0		HGAAML
COc1cc(OCc2cccc(C(=O)[O-])c2)ccc1/C=C1\C(=O)[N-]C(=S)NC1=O	ZINC000001838720	557291474	/nfs/dbraw/zinc/29/14/74/557291474.db2.gz	IWDPIANAZYUKMC-UHFFFAOYSA-N	-2	1	412.423	3.138	50	0		HGAAML
COc1cc(OCc2cccc(C(=O)[O-])c2)ccc1/C=C1/C(=O)[N-]C(=S)NC1=O	ZINC000001838720	557291476	/nfs/dbraw/zinc/29/14/76/557291476.db2.gz	IWDPIANAZYUKMC-UHFFFAOYSA-N	-2	1	412.423	3.138	50	0		HGAAML
COc1cc(OCc2cccc(C(=O)[O-])c2)ccc1C=C1C(=O)[N-]C(=S)NC1=O	ZINC000001838720	557291478	/nfs/dbraw/zinc/29/14/78/557291478.db2.gz	IWDPIANAZYUKMC-UHFFFAOYSA-N	-2	1	412.423	3.138	50	0		HGAAML
Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(=O)[O-])cc2)c(C)c1C	ZINC000012556992	568856050	/nfs/dbraw/zinc/85/60/50/568856050.db2.gz	QISNSOUAFPBAQT-UHFFFAOYSA-N	-2	1	418.515	3.234	50	0		HGAAML
Cc1ccc(F)cc1S(=O)(=O)[N-]c1cnc(N2CCCCCC2)c(C(=O)[O-])c1	ZINC000035397439	569034885	/nfs/dbraw/zinc/03/48/85/569034885.db2.gz	BSZQQTMRSTWQOK-UHFFFAOYSA-N	-2	1	407.467	3.409	50	0		HGAAML
CC(=O)c1ccc(S(=O)(=O)[N-]c2cnc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1	ZINC000064843265	569107055	/nfs/dbraw/zinc/10/70/55/569107055.db2.gz	YZJLBWCGEKLMMU-UHFFFAOYSA-N	-2	1	417.487	3.020	50	0		HGAAML
Cc1ccc(S(=O)(=O)[N-]c2cnc(N3CCC(C)CC3)c(C(=O)[O-])c2)c(C)c1	ZINC000064843259	569107108	/nfs/dbraw/zinc/10/71/08/569107108.db2.gz	HCQLYWIQKBGFQW-UHFFFAOYSA-N	-2	1	403.504	3.434	50	0		HGAAML
Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cn2cccn2)cc1	ZINC000170650710	569292418	/nfs/dbraw/zinc/29/24/18/569292418.db2.gz	SFUCIJYUXQDRMB-UHFFFAOYSA-N	-2	1	405.863	3.392	50	0		HGAAML
CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])nc([O-])n(Cc2ccccc2)c1=O	ZINC000008995941	571208901	/nfs/dbraw/zinc/20/89/01/571208901.db2.gz	ZKBNDKNQZXPRLV-NRFANRHFSA-N	-2	1	416.481	3.152	50	0	biogenic	HGAAML
CCOc1ccc2nc(SCC(=O)Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)[nH]c2c1	ZINC000006000423	557683767	/nfs/dbraw/zinc/68/37/67/557683767.db2.gz	OPGWEOREFQXOJL-UHFFFAOYSA-N	-2	1	415.427	3.089	50	0		HGAAML
COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c(C(=O)[O-])cc1OC(F)F	ZINC000060060002	558674599	/nfs/dbraw/zinc/67/45/99/558674599.db2.gz	OOOOBXZLJZHJLE-UHFFFAOYSA-N	-2	1	413.398	3.284	50	0		HGAAML
O=C([N-]n1c(=O)c2c3c(sc2[n-]c1=S)CCC3)c1ccc(Br)o1	ZINC000017089092	558817739	/nfs/dbraw/zinc/81/77/39/558817739.db2.gz	JGJUDKIQTJHOGB-UHFFFAOYSA-N	-2	1	412.290	3.349	50	0		HGAAML
CCc1ccc(S(=O)(=O)[N-]c2cc(-c3n[nH]c(=O)[n-]3)cc(C(F)(F)F)c2)cc1	ZINC000058392636	558923453	/nfs/dbraw/zinc/92/34/53/558923453.db2.gz	UKAQAQXDRRMFHE-UHFFFAOYSA-N	-2	1	412.393	3.147	50	0		HGAAML
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)ccc1I	ZINC000095945910	559089346	/nfs/dbraw/zinc/08/93/46/559089346.db2.gz	YOOQIEVWUFPCCT-UHFFFAOYSA-N	-2	1	417.224	3.099	50	0		HGAAML
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F	ZINC000024432832	568511458	/nfs/dbraw/zinc/51/14/58/568511458.db2.gz	AMNYOMROUYANAM-UHFFFAOYSA-N	-2	1	418.240	3.486	50	0		HGAAML
COc1cc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)cc(C(=O)[O-])c1OC	ZINC000095431815	568609107	/nfs/dbraw/zinc/60/91/07/568609107.db2.gz	IODUKZREXGDVGL-UHFFFAOYSA-N	-2	1	403.412	3.062	50	0		HGAAML