smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000552348349	860513928	/nfs/dbraw/zinc/51/39/28/860513928.db2.gz	BJBHTCKDZORNML-UHFFFAOYSA-N	-2	3	376.781	3.725	20	5		GHBDHL
CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl	ZINC000031721529	879913467	/nfs/dbraw/zinc/91/34/67/879913467.db2.gz	BRSPCSAYQHBDFQ-UHFFFAOYSA-N	-2	3	386.813	3.542	20	5		GHBDHL
CC(C)CCOC(=O)[C@@H](C)Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12	ZINC001234743111	1040270578	/nfs/dbraw/zinc/27/05/78/1040270578.db2.gz	YVBWJVJBKXYXEP-GFCCVEGCSA-N	-2	3	386.400	3.714	20	5		GHBDHL
Cc1ccc([C@H](C)Oc2c([O-])ccc3c([O-])c4c(=O)cc(O)cc-4oc32)cn1	ZINC001234751053	1040279024	/nfs/dbraw/zinc/27/90/24/1040279024.db2.gz	SCMUZZZTJQLYMX-NSHDSACASA-N	-2	3	379.368	3.906	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@H](C)c4ccncc4)cc3c(=O)c12	ZINC001234798188	1040327730	/nfs/dbraw/zinc/32/77/30/1040327730.db2.gz	GMHUEAWXXVQVQH-LLVKDONJSA-N	-2	3	379.368	3.901	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@H](C)c4cccnc4)cc3c(=O)c12	ZINC001234800157	1040331234	/nfs/dbraw/zinc/33/12/34/1040331234.db2.gz	ZLZFGSUSXBIIOT-LLVKDONJSA-N	-2	3	379.368	3.901	20	5		GHBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)ccc1[O-]	ZINC000175777178	836985670	/nfs/dbraw/zinc/98/56/70/836985670.db2.gz	VGIBBKCJQPGWPA-UHFFFAOYSA-N	-2	3	390.339	3.596	20	5		GHBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC(F)(F)F)cc1	ZINC000157235766	841703796	/nfs/dbraw/zinc/70/37/96/841703796.db2.gz	SQPHTLGWXBRYLE-UHFFFAOYSA-N	-2	3	390.339	3.514	20	5		GHBDHL
CC(C)(C)OC(=O)N1CCC2(CC[C@@H]2Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CC1	ZINC001228968147	1033206975	/nfs/dbraw/zinc/20/69/75/1033206975.db2.gz	HRUOGEVHSDHHTM-HNNXBMFYSA-N	-2	3	394.424	3.565	20	5		GHBDHL
Cc1ccc([C@@H](C)Oc2cc([O-])cc3oc4c(O)ccc(=O)c-4c([O-])c23)cn1	ZINC001234123654	1039863685	/nfs/dbraw/zinc/86/36/85/1039863685.db2.gz	GDMJGBQGGUCSDS-LLVKDONJSA-N	-2	3	379.368	3.906	20	5		GHBDHL
O=c1ccc(O)c2oc3cc([O-])cc(O[C@H]4COCc5ccccc54)c3c([O-])c1-2	ZINC001234125259	1039866170	/nfs/dbraw/zinc/86/61/70/1039866170.db2.gz	PWYWZRMTLNRXRF-SFHVURJKSA-N	-2	3	392.363	3.713	20	5		GHBDHL
C[C@H](Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12)c1ccncc1F	ZINC001234124740	1039867682	/nfs/dbraw/zinc/86/76/82/1039867682.db2.gz	KKFNSFZLKLYCGC-VIFPVBQESA-N	-2	3	383.331	3.737	20	5		GHBDHL
CCOC(=O)[C@H](CC(C)C)Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12	ZINC001234742804	1040269110	/nfs/dbraw/zinc/26/91/10/1040269110.db2.gz	SQTGRJVUWJKYDY-KRWDZBQOSA-N	-2	3	386.400	3.714	20	5		GHBDHL
O=c1cc(O)cc2oc3c(ccc([O-])c3O[C@@H]3CCCc4cccnc43)c([O-])c1-2	ZINC001234752313	1040280349	/nfs/dbraw/zinc/28/03/49/1040280349.db2.gz	GTNRFGRJYVIMIO-MRXNPFEDSA-N	-2	3	391.379	3.914	20	5		GHBDHL
COc1ccc([C@@H](C)Oc2c([O-])ccc3c([O-])c4c(=O)cc(O)cc-4oc32)cn1	ZINC001234751246	1040280759	/nfs/dbraw/zinc/28/07/59/1040280759.db2.gz	VPKDCPTXWTWPHC-SNVBAGLBSA-N	-2	3	395.367	3.607	20	5		GHBDHL
O=c1cc(O)cc2oc3c(ccc([O-])c3O[C@H]3CCCc4cccnc43)c([O-])c1-2	ZINC001234752310	1040280803	/nfs/dbraw/zinc/28/08/03/1040280803.db2.gz	GTNRFGRJYVIMIO-INIZCTEOSA-N	-2	3	391.379	3.914	20	5		GHBDHL
Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000535746298	844387920	/nfs/dbraw/zinc/38/79/20/844387920.db2.gz	GFFLWQVCGXFNNE-UHFFFAOYSA-N	-2	3	380.422	3.505	20	5		GHBDHL
O=C([O-])c1cnc(C=Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[n-]c1=O	ZINC000619864667	873110181	/nfs/dbraw/zinc/11/01/81/873110181.db2.gz	TTXPKOULAJMINE-WAPJZHGLSA-N	-2	3	397.318	3.890	20	5		GHBDHL
CC(C)(C)C(=O)OC1CC(Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])C1	ZINC001227308611	1032367115	/nfs/dbraw/zinc/36/71/15/1032367115.db2.gz	DKRFCVBERXYDST-UHFFFAOYSA-N	-2	3	398.411	3.857	20	5		GHBDHL
COc1ccc([C@H](C)Oc2cc([O-])cc3oc4c(O)ccc(=O)c-4c([O-])c23)cn1	ZINC001234123644	1039864355	/nfs/dbraw/zinc/86/43/55/1039864355.db2.gz	FTOWSIGSFIXLBW-JTQLQIEISA-N	-2	3	395.367	3.607	20	5		GHBDHL
COC(=O)[C@@H](C)Oc1cc([O-])c(CC=C(C)C)c2oc3c([O-])cccc3c(=O)c12	ZINC001234740769	1040266659	/nfs/dbraw/zinc/26/66/59/1040266659.db2.gz	OCBZSBCXILYIME-GFCCVEGCSA-N	-2	3	398.411	3.806	20	5		GHBDHL
CC(C)=CCc1c([O-])cc(OC2CC(=O)C2)c2c(=O)c3cccc([O-])c3oc12	ZINC001234742057	1040268005	/nfs/dbraw/zinc/26/80/05/1040268005.db2.gz	VFPIMAOEEYYKJD-UHFFFAOYSA-N	-2	3	380.396	3.976	20	5		GHBDHL
CCCOc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl	ZINC000511149125	847486535	/nfs/dbraw/zinc/48/65/35/847486535.db2.gz	CVGMCPONRXUBJO-UHFFFAOYSA-N	-2	3	386.813	3.543	20	5		GHBDHL
O=C([N-]c1nnc(SCc2ccccc2)s1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000469571944	929998757	/nfs/dbraw/zinc/99/87/57/929998757.db2.gz	CFSZGDQDPKNIJY-UHFFFAOYSA-N	-2	3	388.430	3.697	20	5		GHBDHL
O=c1cccc2oc3cc([O-])c(OC[C@H]4Cc5ccccc5O4)cc3c([O-])c1-2	ZINC001227307483	1032364951	/nfs/dbraw/zinc/36/49/51/1032364951.db2.gz	WVGWAZOMPOLBCY-CYBMUJFWSA-N	-2	3	376.364	3.740	20	5		GHBDHL
CC(C)=CCc1c([O-])cc(OC2CN(C)C2)c2c(=O)c3cccc([O-])c3oc12	ZINC001234738367	1040266470	/nfs/dbraw/zinc/26/64/70/1040266470.db2.gz	AXEWCQRBIQEPOF-UHFFFAOYSA-N	-2	3	381.428	3.559	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@H]4CCc5cccnc54)cc([O-])cc3oc21	ZINC001234750368	1040276992	/nfs/dbraw/zinc/27/69/92/1040276992.db2.gz	ZCSAHVZSEMTXOW-HNNXBMFYSA-N	-2	3	391.379	3.827	20	5		GHBDHL
C[C@H](Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21)c1ccncc1F	ZINC001234750691	1040278282	/nfs/dbraw/zinc/27/82/82/1040278282.db2.gz	MXWGIXIPDWZOCG-VIFPVBQESA-N	-2	3	383.331	3.737	20	5		GHBDHL
CC1(C)CCc2c(c([O-])cc3oc4cc([O-])cc(OC5CC(=O)C5)c4c(=O)c32)O1	ZINC001234799741	1040331030	/nfs/dbraw/zinc/33/10/30/1040331030.db2.gz	UGBNWGGHIFQBRQ-UHFFFAOYSA-N	-2	3	396.395	3.571	20	5		GHBDHL
Cc1nc(C=Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[n-]c(=O)c1CC(=O)[O-]	ZINC000811692091	889899681	/nfs/dbraw/zinc/89/96/81/889899681.db2.gz	XIUINUMGVZUXJX-IHWYPQMZSA-N	-2	3	384.175	3.503	20	5		GHBDHL
CC(C)(C)OC(=O)N1CCC2(CC(Oc3cc([O-])cc([O-])c3[N+](=O)[O-])C2)CC1	ZINC001228969009	1033206438	/nfs/dbraw/zinc/20/64/38/1033206438.db2.gz	WLZAWCBEHDEMJC-UHFFFAOYSA-N	-2	3	394.424	3.565	20	5		GHBDHL
CC(C)CCOC(=O)[C@H](C)Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12	ZINC001234743112	1040271117	/nfs/dbraw/zinc/27/11/17/1040271117.db2.gz	YVBWJVJBKXYXEP-LBPRGKRZSA-N	-2	3	386.400	3.714	20	5		GHBDHL
O=c1c2cccc([O-])c2oc2cc([O-])cc(OC3CN(Cc4ccccc4)C3)c12	ZINC001234747221	1040272602	/nfs/dbraw/zinc/27/26/02/1040272602.db2.gz	JEKVYPTZIYAJNW-UHFFFAOYSA-N	-2	3	389.407	3.621	20	5		GHBDHL
O=C([O-])/C=C\c1ccc(NCc2ccc([O-])c(Br)c2)c([N+](=O)[O-])c1	ZINC000833197472	604284956	/nfs/dbraw/zinc/28/49/56/604284956.db2.gz	PPPQSCRFVALGIR-UTCJRWHESA-N	-2	3	393.193	3.773	20	5		GHBDHL
O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc([O-])ccc1C(F)(F)F	ZINC000189383655	838262239	/nfs/dbraw/zinc/26/22/39/838262239.db2.gz	VOGFWOJTCWCKMR-UHFFFAOYSA-N	-2	3	376.674	3.931	20	5		GHBDHL
O=c1cccc2oc3cc([O-])c(OC[C@@H]4COc5cscc5O4)cc3c([O-])c1-2	ZINC001227311161	1032368973	/nfs/dbraw/zinc/36/89/73/1032368973.db2.gz	YNFCEIPFCPCSCK-SNVBAGLBSA-N	-2	3	398.392	3.638	20	5		GHBDHL
O=[N+]([O-])c1cccc(Nc2c([O-])cc(S(=O)(=O)[O-])c3ccccc32)c1F	ZINC001210384192	1027481203	/nfs/dbraw/zinc/48/12/03/1027481203.db2.gz	IMKXUBKACKSNIN-UHFFFAOYSA-N	-2	3	378.337	3.583	20	5		GHBDHL
C[C@H](COc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21)Oc1ccccc1	ZINC001234750794	1040276173	/nfs/dbraw/zinc/27/61/73/1040276173.db2.gz	OXXVCNAQNZRZPB-GFCCVEGCSA-N	-2	3	394.379	3.909	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@H](C)c4cn(C)nc4C)cc([O-])cc3oc21	ZINC001234749862	1040278140	/nfs/dbraw/zinc/27/81/40/1040278140.db2.gz	UAAZKMUBWUWYQY-LLVKDONJSA-N	-2	3	396.399	3.548	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@@H]4CCc5cccnc54)cc([O-])cc3oc21	ZINC001234750369	1040278179	/nfs/dbraw/zinc/27/81/79/1040278179.db2.gz	ZCSAHVZSEMTXOW-OAHLLOKOSA-N	-2	3	391.379	3.827	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@@H]4CCC(=O)CC4(C)C)cc3c(=O)c12	ZINC001234801476	1040334457	/nfs/dbraw/zinc/33/44/57/1040334457.db2.gz	QVXJKTLLVNYISB-LJQANCHMSA-N	-2	3	398.411	3.893	20	5		GHBDHL
Cc1nc(C=Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[n-]c(=O)c1CC(=O)[O-]	ZINC000504721549	850270349	/nfs/dbraw/zinc/27/03/49/850270349.db2.gz	PWNXDOCDSZWUJV-CLFYSBASSA-N	-2	3	397.412	3.925	20	5		GHBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)ccc1[O-]	ZINC000509576678	852986777	/nfs/dbraw/zinc/98/67/77/852986777.db2.gz	HEUOJISCRHLULK-UHFFFAOYSA-N	-2	3	376.415	3.830	20	5		GHBDHL
CCOC(=O)[C@@H]1CCC[C@@H](Oc2cc3c(cc2[O-])oc2cccc(=O)c-2c3[O-])C1	ZINC001227310572	1032368001	/nfs/dbraw/zinc/36/80/01/1032368001.db2.gz	VQGHBWCPCNEXFE-CHWSQXEVSA-N	-2	3	398.411	3.858	20	5		GHBDHL
CC(C)(C)OC(=O)N1CC[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CC12CCC2	ZINC001228970050	1033208641	/nfs/dbraw/zinc/20/86/41/1033208641.db2.gz	FFEQQOPKDVGIMX-ZDUSSCGKSA-N	-2	3	394.424	3.707	20	5		GHBDHL
O=c1ccc(O)c2oc3cc([O-])cc(O[C@@H]4CCc5cccnc54)c3c([O-])c1-2	ZINC001234124812	1039866399	/nfs/dbraw/zinc/86/63/99/1039866399.db2.gz	LLAMSXVTBVSLJQ-CQSZACIVSA-N	-2	3	377.352	3.524	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@H]4CCC(F)(F)C4)cc([O-])cc3oc21	ZINC001234752531	1040282290	/nfs/dbraw/zinc/28/22/90/1040282290.db2.gz	YPAJIMRTZISQMF-JTQLQIEISA-N	-2	3	378.327	3.933	20	5		GHBDHL
CSc1ccc(-c2nsc([N-]C(=O)c3cc([O-])ccc3[N+](=O)[O-])n2)cc1	ZINC000499860220	860024520	/nfs/dbraw/zinc/02/45/20/860024520.db2.gz	IBOSKQZHFOBQFP-UHFFFAOYSA-N	-2	3	388.430	3.793	20	5		GHBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)ccc1[O-]	ZINC000026319197	889733870	/nfs/dbraw/zinc/73/38/70/889733870.db2.gz	WIHXIQLFWFJAKZ-UHFFFAOYSA-N	-2	3	398.487	3.580	20	5		GHBDHL
CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cccnc2SCCC(=O)[O-])c1	ZINC001599823071	988549184	/nfs/dbraw/zinc/54/91/84/988549184.db2.gz	WINAWUDYTQDHAC-UHFFFAOYSA-N	-2	3	393.446	3.531	20	5		GHBDHL
CCCC(=O)[C@H](CCC)Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21	ZINC001234750285	1040276547	/nfs/dbraw/zinc/27/65/47/1040276547.db2.gz	JMGPMPAPMIRTMX-INIZCTEOSA-N	-2	3	386.400	3.980	20	5		GHBDHL
CN(c1ccccc1)c1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1[N+](=O)[O-]	ZINC000619864662	873109935	/nfs/dbraw/zinc/10/99/35/873109935.db2.gz	SADVKWDIPYJQGH-CSKARUKUSA-N	-2	3	392.371	3.727	20	5		GHBDHL
Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000475827220	884514832	/nfs/dbraw/zinc/51/48/32/884514832.db2.gz	DRSPVYVBWZASJJ-UHFFFAOYSA-N	-2	3	399.428	3.780	20	5		GHBDHL
CCOC(=O)[C@H](CC(C)C)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-]	ZINC001227306755	1032365342	/nfs/dbraw/zinc/36/53/42/1032365342.db2.gz	MVVWCJJDXRSODA-SFHVURJKSA-N	-2	3	386.400	3.714	20	5		GHBDHL
COc1c(Br)cccc1[C@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-]	ZINC001228974639	1033213952	/nfs/dbraw/zinc/21/39/52/1033213952.db2.gz	VAIGSLZROFTDOF-QMMMGPOBSA-N	-2	3	384.182	3.917	20	5		GHBDHL
O=c1ccc(O)c2oc3cc([O-])cc(O[C@H]4CCc5ccccc5C4)c3c([O-])c1-2	ZINC001234123621	1039865226	/nfs/dbraw/zinc/86/52/26/1039865226.db2.gz	FAKFNSBWQFZJBL-HNNXBMFYSA-N	-2	3	390.391	3.999	20	5		GHBDHL
O=c1ccc(O)c2oc3cc([O-])cc(O[C@H](c4cccnc4)C4CC4)c3c([O-])c1-2	ZINC001234124482	1039866972	/nfs/dbraw/zinc/86/69/72/1039866972.db2.gz	JXZJQRIXYURKHW-NRFANRHFSA-N	-2	3	391.379	3.988	20	5		GHBDHL
CCOC(=O)[C@H]1CC[C@H](Oc2cc([O-])cc3oc4c([O-])cccc4c(=O)c23)CC1	ZINC001234740647	1040265186	/nfs/dbraw/zinc/26/51/86/1040265186.db2.gz	AFZJVPCOZNRMIY-MQMHXKEQSA-N	-2	3	398.411	3.858	20	5		GHBDHL
C[C@@H](CC(=O)OC(C)(C)C)Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12	ZINC001234742934	1040270865	/nfs/dbraw/zinc/27/08/65/1040270865.db2.gz	VWNPLYUUMDAZDQ-NSHDSACASA-N	-2	3	386.400	3.857	20	5		GHBDHL
CC(C)=CCc1c([O-])cc(OC2CC(O)C2)c2c(=O)c3cccc([O-])c3oc12	ZINC001218262298	1030859956	/nfs/dbraw/zinc/85/99/56/1030859956.db2.gz	YWQXGHLGRFMHOG-UHFFFAOYSA-N	-2	3	382.412	3.768	20	5		GHBDHL
Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)ccc1OC(C)C	ZINC000499282483	881900102	/nfs/dbraw/zinc/90/01/02/881900102.db2.gz	VAPBZMAEDSXECQ-UHFFFAOYSA-N	-2	3	380.422	3.505	20	5		GHBDHL
O=c1cccc2oc3cc([O-])c(OC4CN(Cc5ccccc5)C4)cc3c([O-])c1-2	ZINC001227307195	1032365081	/nfs/dbraw/zinc/36/50/81/1032365081.db2.gz	SOEDLIVXGROUGA-UHFFFAOYSA-N	-2	3	389.407	3.621	20	5		GHBDHL
CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CC1	ZINC001228970211	1033208592	/nfs/dbraw/zinc/20/85/92/1033208592.db2.gz	HKPKYRYISNAIBY-AULYBMBSSA-N	-2	3	382.413	3.563	20	5		GHBDHL
CO[C@@H](COc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12)c1ccccc1	ZINC001234125247	1039865688	/nfs/dbraw/zinc/86/56/88/1039865688.db2.gz	PUFCYXOTQJLMQB-SFHVURJKSA-N	-2	3	394.379	3.830	20	5		GHBDHL
COC(=O)C[C@@H]1CCC[C@@H](Oc2cc([O-])cc3oc4c([O-])cccc4c(=O)c23)C1	ZINC001234741800	1040268494	/nfs/dbraw/zinc/26/84/94/1040268494.db2.gz	MFCQKUVPJNZPTB-TZMCWYRMSA-N	-2	3	398.411	3.858	20	5		GHBDHL
C[C@@H](COc1ccccc1)Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21	ZINC001234749822	1040276487	/nfs/dbraw/zinc/27/64/87/1040276487.db2.gz	DSRZGUFUENIDQL-LBPRGKRZSA-N	-2	3	394.379	3.909	20	5		GHBDHL
O=c1cc(O)cc2oc3c(ccc([O-])c3O[C@@H]3CCc4ccccc4C3)c([O-])c1-2	ZINC001234749678	1040277149	/nfs/dbraw/zinc/27/71/49/1040277149.db2.gz	CXKDFPDEDMWMDQ-OAHLLOKOSA-N	-2	3	390.391	3.999	20	5		GHBDHL
O=c1cc(O)cc2oc3c(ccc([O-])c3O[C@H]3CCc4cccnc43)c([O-])c1-2	ZINC001234750718	1040277547	/nfs/dbraw/zinc/27/75/47/1040277547.db2.gz	NILJMKFVGFWIKV-HNNXBMFYSA-N	-2	3	377.352	3.524	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@H]4CCCC(=O)C4(C)C)cc([O-])cc3oc21	ZINC001234750905	1040279469	/nfs/dbraw/zinc/27/94/69/1040279469.db2.gz	HSVKZIWUDBZEAG-KRWDZBQOSA-N	-2	3	398.411	3.893	20	5		GHBDHL
O=C([O-])/C=C/c1ccc(NCc2ccc([O-])c(Br)c2)c([N+](=O)[O-])c1	ZINC000833197473	604284740	/nfs/dbraw/zinc/28/47/40/604284740.db2.gz	PPPQSCRFVALGIR-ZZXKWVIFSA-N	-2	3	393.193	3.773	20	5		GHBDHL
O=[N+]([O-])c1ccc(F)c(Nc2c([O-])cc(S(=O)(=O)[O-])c3ccccc32)c1	ZINC001175736872	907713232	/nfs/dbraw/zinc/71/32/32/907713232.db2.gz	NNIOMADHJKCJOD-UHFFFAOYSA-N	-2	3	378.337	3.583	20	5		GHBDHL
CCCC(=O)[C@@H](CCC)Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12	ZINC001234125159	1039866764	/nfs/dbraw/zinc/86/67/64/1039866764.db2.gz	NUZWGRKOQKUOIV-OAHLLOKOSA-N	-2	3	386.400	3.980	20	5		GHBDHL
COc1ccc([C@@H](C)Oc2cc([O-])cc3oc4c([O-])cccc4c(=O)c23)cn1	ZINC001234740909	1040265298	/nfs/dbraw/zinc/26/52/98/1040265298.db2.gz	CKAQVVJOJVVUAK-LLVKDONJSA-N	-2	3	379.368	3.901	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@H](C)COC(C)(C)C)cc([O-])cc3oc21	ZINC001234748683	1040274599	/nfs/dbraw/zinc/27/45/99/1040274599.db2.gz	IURJMQLKGOOFMV-LLVKDONJSA-N	-2	3	388.416	3.948	20	5		GHBDHL
O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000506758074	850786397	/nfs/dbraw/zinc/78/63/97/850786397.db2.gz	JREJDCDCIRJNBU-UHFFFAOYSA-N	-2	3	376.781	3.725	20	5		GHBDHL
CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1	ZINC000499176886	881377061	/nfs/dbraw/zinc/37/70/61/881377061.db2.gz	QHSNRHPUSIZRMB-GFCCVEGCSA-N	-2	3	380.422	3.587	20	5		GHBDHL
CC(C)(C)Sc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000726765488	926840902	/nfs/dbraw/zinc/84/09/02/926840902.db2.gz	CNRQGZPVWLEFEF-UHFFFAOYSA-N	-2	3	382.463	3.992	20	5		GHBDHL
Cc1cn2c(n1)[C@H](Oc1cc3c([O-])c4c(=O)cccc-4oc3cc1[O-])CCC2	ZINC001227310542	1032368070	/nfs/dbraw/zinc/36/80/70/1032368070.db2.gz	VLYDXSFVEVRECU-MRXNPFEDSA-N	-2	3	378.384	3.776	20	5		GHBDHL
O=c1c2cccc([O-])c2oc2cc([O-])cc(OC[C@H]3CC[C@]4(CCCCO4)O3)c21	ZINC001234741667	1040267430	/nfs/dbraw/zinc/26/74/30/1040267430.db2.gz	KQDIVSJWGPIOOO-PEBXRYMYSA-N	-2	3	398.411	3.812	20	5		GHBDHL
CCC[C@H](CC(=O)OCC)Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12	ZINC001234742553	1040269065	/nfs/dbraw/zinc/26/90/65/1040269065.db2.gz	QUNCPMQZUQWWSN-CYBMUJFWSA-N	-2	3	386.400	3.858	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@H](C)C4CCOCC4)cc([O-])cc3oc21	ZINC001234749307	1040275208	/nfs/dbraw/zinc/27/52/08/1040275208.db2.gz	OIJJWLCMWTXLPD-LLVKDONJSA-N	-2	3	386.400	3.560	20	5		GHBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(COC(C)(C)C)cc1	ZINC000611226520	859651337	/nfs/dbraw/zinc/65/13/37/859651337.db2.gz	MKIXFOMUAWYIJK-UHFFFAOYSA-N	-2	3	394.449	3.725	20	5		GHBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)(C)C)cc1	ZINC000499287316	881911773	/nfs/dbraw/zinc/91/17/73/881911773.db2.gz	RZFQHWMUTOGVJV-UHFFFAOYSA-N	-2	3	380.422	3.587	20	5		GHBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)ccc1[O-]	ZINC000460826153	878630855	/nfs/dbraw/zinc/63/08/55/878630855.db2.gz	DLAWMUOSFHZLNA-UHFFFAOYSA-N	-2	3	396.396	3.562	20	5		GHBDHL
C[C@@H]1c2cnccc2C[C@@H]1Oc1cc2c(cc1[O-])oc1cccc(=O)c-1c2[O-]	ZINC001227310646	1032368846	/nfs/dbraw/zinc/36/88/46/1032368846.db2.gz	WPLKOQIEQFXLFS-ZMZPIMSZSA-N	-2	3	375.380	3.860	20	5		GHBDHL
CCOC(=O)[C@@H]1CCC[C@H](Oc2cc3c(cc2[O-])oc2cccc(=O)c-2c3[O-])C1	ZINC001227310575	1032367759	/nfs/dbraw/zinc/36/77/59/1032367759.db2.gz	VQGHBWCPCNEXFE-OLZOCXBDSA-N	-2	3	398.411	3.858	20	5		GHBDHL
O=[N+]([O-])c1c([O-])cc([O-])cc1OC(COc1ccccc1)COc1ccccc1	ZINC001228969830	1033208040	/nfs/dbraw/zinc/20/80/40/1033208040.db2.gz	DBCKAOCGYAQBEW-UHFFFAOYSA-N	-2	3	397.383	3.911	20	5		GHBDHL
CC(C)[C@H]1CC[C@@H](C)C[C@]12OC[C@@H](COc1cc([O-])cc([O-])c1[N+](=O)[O-])O2	ZINC001228970602	1033208204	/nfs/dbraw/zinc/20/82/04/1033208204.db2.gz	IRAWMKNQDRBIHB-QEPJRFBGSA-N	-2	3	381.425	3.589	20	5		GHBDHL
O=c1ccc(O)c2oc3cc([O-])cc(O[C@@H](c4cccnc4)C4CC4)c3c([O-])c1-2	ZINC001234124483	1039866226	/nfs/dbraw/zinc/86/62/26/1039866226.db2.gz	JXZJQRIXYURKHW-OAQYLSRUSA-N	-2	3	391.379	3.988	20	5		GHBDHL
C[C@@H]1c2cnccc2C[C@@H]1Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21	ZINC001234748807	1040275686	/nfs/dbraw/zinc/27/56/86/1040275686.db2.gz	LCRDKABBLGFRBI-QGHHPUGFSA-N	-2	3	391.379	3.565	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@@H](C)c4cn(C)nc4C)cc3c(=O)c12	ZINC001234799702	1040330182	/nfs/dbraw/zinc/33/01/82/1040330182.db2.gz	SACZRGPQIUULME-NSHDSACASA-N	-2	3	396.399	3.548	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(OC4CCC(OC)CC4)cc3c(=O)c12	ZINC001234800716	1040331754	/nfs/dbraw/zinc/33/17/54/1040331754.db2.gz	LHIZWPTYHFUUSP-UHFFFAOYSA-N	-2	3	386.400	3.702	20	5		GHBDHL
O=C([N-]c1n[nH]c(-c2cc(Cl)ccc2Cl)n1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000505287344	850790813	/nfs/dbraw/zinc/79/08/13/850790813.db2.gz	KEXUCRUYMQEJSS-UHFFFAOYSA-N	-2	3	394.174	3.645	20	5		GHBDHL
CCOC(=O)[C@@H]1CCCC[C@H]1Oc1cc2c(cc1[O-])oc1cccc(=O)c-1c2[O-]	ZINC001227305953	1032364223	/nfs/dbraw/zinc/36/42/23/1032364223.db2.gz	CWZRTFWYYXWAIN-MLGOLLRUSA-N	-2	3	398.411	3.858	20	5		GHBDHL
O=c1cccc2oc3cc([O-])c(OC[C@@H]4COc5ccccc5O4)cc3c([O-])c1-2	ZINC001227307313	1032365838	/nfs/dbraw/zinc/36/58/38/1032365838.db2.gz	VTLVXFYHQMUUSW-LBPRGKRZSA-N	-2	3	392.363	3.576	20	5		GHBDHL
CCOC(=O)[C@H]1CC[C@H](Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])CC1	ZINC001227308333	1032366261	/nfs/dbraw/zinc/36/62/61/1032366261.db2.gz	CUBPQDYPEHHAQP-JOCQHMNTSA-N	-2	3	398.411	3.858	20	5		GHBDHL
O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1	ZINC001228973683	1033211397	/nfs/dbraw/zinc/21/13/97/1033211397.db2.gz	LIMMSEIPKKHANE-LBPRGKRZSA-N	-2	3	399.230	3.966	20	5		GHBDHL
O=C([N-]c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc3[n-]c(=S)sc3c2)no1	ZINC001248000987	1038532975	/nfs/dbraw/zinc/53/29/75/1038532975.db2.gz	WJRYJOLTQCSHJY-UHFFFAOYSA-N	-2	3	399.413	3.796	20	5		GHBDHL
O=c1ccc(O)c2oc3cc([O-])cc(O[C@@H]4CCCc5cccnc54)c3c([O-])c1-2	ZINC001234119050	1039857875	/nfs/dbraw/zinc/85/78/75/1039857875.db2.gz	KXRIJQKOOZYFBU-OAHLLOKOSA-N	-2	3	391.379	3.914	20	5		GHBDHL
COc1ccc([C@@H](C)Oc2cc([O-])cc3oc4c(O)ccc(=O)c-4c([O-])c23)cn1	ZINC001234123645	1039865072	/nfs/dbraw/zinc/86/50/72/1039865072.db2.gz	FTOWSIGSFIXLBW-SNVBAGLBSA-N	-2	3	395.367	3.607	20	5		GHBDHL
C[C@@H](COc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21)Oc1ccccc1	ZINC001234750795	1040277728	/nfs/dbraw/zinc/27/77/28/1040277728.db2.gz	OXXVCNAQNZRZPB-LBPRGKRZSA-N	-2	3	394.379	3.909	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(OCCOC4CCCC4)cc3c(=O)c12	ZINC001234801083	1040332060	/nfs/dbraw/zinc/33/20/60/1040332060.db2.gz	NOTBOTJZXWKHNK-UHFFFAOYSA-N	-2	3	386.400	3.704	20	5		GHBDHL
COc1cccc(-c2cc(C(=O)[N-]c3cc(Cl)cc([N+](=O)[O-])c3[O-])on2)c1	ZINC001295614970	1045072216	/nfs/dbraw/zinc/07/22/16/1045072216.db2.gz	QJVQPJUOVYWHOT-UHFFFAOYSA-N	-2	3	389.751	3.870	20	5		GHBDHL
Cc1c(COC(C)(C)C)cccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000476433662	885789954	/nfs/dbraw/zinc/78/99/54/885789954.db2.gz	VTKCGTIGLOXHKH-UHFFFAOYSA-N	-2	3	394.449	3.725	20	5		GHBDHL
CC1(C)CC(=O)CC[C@@H]1Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12	ZINC001234125489	1039868276	/nfs/dbraw/zinc/86/82/76/1039868276.db2.gz	SNACJBLAEBOVRI-INIZCTEOSA-N	-2	3	384.384	3.590	20	5		GHBDHL
CC(=O)[C@@H](C)Oc1cc([O-])cc2oc3cc([O-])c4c(c3c(=O)c12)CCC(C)(C)O4	ZINC001234799074	1040330241	/nfs/dbraw/zinc/33/02/41/1040330241.db2.gz	LPFDPSQMTWPJTH-LLVKDONJSA-N	-2	3	398.411	3.817	20	5		GHBDHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc4ccccc4cc3c2)ccc1O	ZINC001260399803	1045487830	/nfs/dbraw/zinc/48/78/30/1045487830.db2.gz	FEYNAPRWGCTLBV-UHFFFAOYSA-N	-2	3	394.408	3.593	20	5		GHBDHL
O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000573588564	844617511	/nfs/dbraw/zinc/61/75/11/844617511.db2.gz	LTYUPMAWVLAPIV-CQSZACIVSA-N	-2	3	396.428	3.872	20	5		GHBDHL
COC(=O)[C@@H](Oc1cc2c(cc1[O-])oc1cccc(=O)c-1c2[O-])c1ccccc1	ZINC001227306334	1032365472	/nfs/dbraw/zinc/36/54/72/1032365472.db2.gz	INOAPKYEZKJBGE-NRFANRHFSA-N	-2	3	392.363	3.651	20	5		GHBDHL
CC(C)(C)OC(=O)N1CC[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CC1(C)C	ZINC001228972677	1033210446	/nfs/dbraw/zinc/21/04/46/1033210446.db2.gz	CAJALOVKLSHSAV-LBPRGKRZSA-N	-2	3	382.413	3.563	20	5		GHBDHL
CC[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1cc(OC)c(OC)c(OC)c1	ZINC001228975309	1033214081	/nfs/dbraw/zinc/21/40/81/1033214081.db2.gz	ZGXOFAOVSNHOJU-CYBMUJFWSA-N	-2	3	379.365	3.562	20	5		GHBDHL
O=[N+]([O-])c1cc(F)cc(Nc2c([O-])cc(S(=O)(=O)[O-])c3ccccc32)c1	ZINC001216483724	1029658094	/nfs/dbraw/zinc/65/80/94/1029658094.db2.gz	JPKSOHJIQPTORW-UHFFFAOYSA-N	-2	3	378.337	3.583	20	5		GHBDHL
C[C@@H](Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12)c1ccncc1F	ZINC001234124736	1039866324	/nfs/dbraw/zinc/86/63/24/1039866324.db2.gz	KKFNSFZLKLYCGC-SECBINFHSA-N	-2	3	383.331	3.737	20	5		GHBDHL
CC[C@H](O)C(=O)Oc1cc([O-])c(CC=C(C)C)c2oc3c([O-])cccc3c(=O)c12	ZINC001234740180	1040265704	/nfs/dbraw/zinc/26/57/04/1040265704.db2.gz	GIEXVSKBSNYFKQ-AWEZNQCLSA-N	-2	3	398.411	3.542	20	5		GHBDHL
C[C@@H](Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21)c1ncccc1F	ZINC001234749541	1040273634	/nfs/dbraw/zinc/27/36/34/1040273634.db2.gz	AMOBFNCJEYGSEP-SECBINFHSA-N	-2	3	383.331	3.737	20	5		GHBDHL
Cc1nc(C=Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[n-]c(=O)c1CC(=O)[O-]	ZINC000504721550	850270327	/nfs/dbraw/zinc/27/03/27/850270327.db2.gz	PWNXDOCDSZWUJV-VQHVLOKHSA-N	-2	3	397.412	3.925	20	5		GHBDHL
O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000552156076	859997874	/nfs/dbraw/zinc/99/78/74/859997874.db2.gz	RSOJYKVLWJBDPU-UHFFFAOYSA-N	-2	3	390.808	3.648	20	5		GHBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CC(F)(F)F	ZINC000157254778	861094046	/nfs/dbraw/zinc/09/40/46/861094046.db2.gz	CZMBVQXCPJNVOU-UHFFFAOYSA-N	-2	3	390.339	3.514	20	5		GHBDHL
O=c1cccc2oc3cc([O-])c(OC[C@H]4COc5ccccc5O4)cc3c([O-])c1-2	ZINC001227307311	1032364913	/nfs/dbraw/zinc/36/49/13/1032364913.db2.gz	VTLVXFYHQMUUSW-GFCCVEGCSA-N	-2	3	392.363	3.576	20	5		GHBDHL
CCOC(=O)[C@@H](CC(C)C)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-]	ZINC001227306752	1032365389	/nfs/dbraw/zinc/36/53/89/1032365389.db2.gz	MVVWCJJDXRSODA-GOSISDBHSA-N	-2	3	386.400	3.714	20	5		GHBDHL
CCC[C@@H](CC(=O)OCC)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-]	ZINC001227306949	1032365439	/nfs/dbraw/zinc/36/54/39/1032365439.db2.gz	QNZQDIIPHNVWLH-LBPRGKRZSA-N	-2	3	386.400	3.858	20	5		GHBDHL
O=C(OCc1ccccc1)[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1ccccc1	ZINC001228972586	1033209499	/nfs/dbraw/zinc/20/94/99/1033209499.db2.gz	ZKOPCNLHLJFDTM-HXUWFJFHSA-N	-2	3	395.367	3.870	20	5		GHBDHL
COC(=O)C[C@H]1CCC[C@@H](Oc2cc([O-])cc3oc4c([O-])cccc4c(=O)c23)C1	ZINC001234741795	1040269156	/nfs/dbraw/zinc/26/91/56/1040269156.db2.gz	MFCQKUVPJNZPTB-GXTWGEPZSA-N	-2	3	398.411	3.858	20	5		GHBDHL
O=c1cc(O)cc2oc3c(ccc([O-])c3O[C@@H]3CCOc4ccccc43)c([O-])c1-2	ZINC001234750741	1040276823	/nfs/dbraw/zinc/27/68/23/1040276823.db2.gz	NXQJTVQIMYOAQE-QGZVFWFLSA-N	-2	3	392.363	3.966	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@H]4CCOC(C)(C)C4)cc([O-])cc3oc21	ZINC001234752529	1040281588	/nfs/dbraw/zinc/28/15/88/1040281588.db2.gz	YOKYNTKYYZZJRL-LBPRGKRZSA-N	-2	3	386.400	3.702	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@@H](C)COC(C)(C)C)cc3c(=O)c12	ZINC001234799071	1040330609	/nfs/dbraw/zinc/33/06/09/1040330609.db2.gz	LOYABUQPSXGKLN-NSHDSACASA-N	-2	3	388.416	3.948	20	5		GHBDHL
O=C([O-])c1cnc(C=Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[n-]c1=O	ZINC000619864666	873109644	/nfs/dbraw/zinc/10/96/44/873109644.db2.gz	TTXPKOULAJMINE-KRXBUXKQSA-N	-2	3	397.318	3.890	20	5		GHBDHL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])ccc1Cl	ZINC000821123774	897725608	/nfs/dbraw/zinc/72/56/08/897725608.db2.gz	GQYMWMATVKCODH-UHFFFAOYSA-N	-2	3	396.730	3.773	20	5		GHBDHL
CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@H]2Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1	ZINC001228968984	1033206781	/nfs/dbraw/zinc/20/67/81/1033206781.db2.gz	VWQQLIXMWSVEHZ-DNVCBOLYSA-N	-2	3	394.424	3.565	20	5		GHBDHL
CC1(C)CC(=O)CC[C@H]1Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12	ZINC001234125490	1039868088	/nfs/dbraw/zinc/86/80/88/1039868088.db2.gz	SNACJBLAEBOVRI-MRXNPFEDSA-N	-2	3	384.384	3.590	20	5		GHBDHL
C[C@@H]1c2cnccc2C[C@@H]1Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12	ZINC001234130580	1039869528	/nfs/dbraw/zinc/86/95/28/1039869528.db2.gz	XOPASAFYZIHXPZ-HWPZZCPQSA-N	-2	3	391.379	3.565	20	5		GHBDHL
CCOC(=O)[C@@H]1CCCC[C@H]1Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12	ZINC001234740976	1040266036	/nfs/dbraw/zinc/26/60/36/1040266036.db2.gz	DBFDHXCZDJADIW-CZUORRHYSA-N	-2	3	398.411	3.858	20	5		GHBDHL
CCC[C@@H](CC(=O)OCC)Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12	ZINC001234742554	1040268946	/nfs/dbraw/zinc/26/89/46/1040268946.db2.gz	QUNCPMQZUQWWSN-ZDUSSCGKSA-N	-2	3	386.400	3.858	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@@H](C)c4cn(C)nc4C)cc([O-])cc3oc21	ZINC001234749864	1040276888	/nfs/dbraw/zinc/27/68/88/1040276888.db2.gz	UAAZKMUBWUWYQY-NSHDSACASA-N	-2	3	396.399	3.548	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@H]4CCc5cccnc54)cc3c(=O)c12	ZINC001234800434	1040331870	/nfs/dbraw/zinc/33/18/70/1040331870.db2.gz	HRVUURAMUQPZSO-HNNXBMFYSA-N	-2	3	391.379	3.827	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@H](C)c4ccccn4)cc3c(=O)c12	ZINC001234801093	1040332469	/nfs/dbraw/zinc/33/24/69/1040332469.db2.gz	ODHMXBLEIXGOPG-LLVKDONJSA-N	-2	3	379.368	3.901	20	5		GHBDHL
CCCCOc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C)c1	ZINC000511497282	836228462	/nfs/dbraw/zinc/22/84/62/836228462.db2.gz	FOVRPWUSRWTEGS-UHFFFAOYSA-N	-2	3	380.422	3.589	20	5		GHBDHL
Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-]	ZINC000436474913	851960705	/nfs/dbraw/zinc/96/07/05/851960705.db2.gz	ACXDWLVUKMLZPO-UHFFFAOYSA-N	-2	3	390.339	3.737	20	5		GHBDHL
Cc1cn2c(n1)[C@@H](Oc1cc3c([O-])c4c(=O)cccc-4oc3cc1[O-])CCC2	ZINC001227310540	1032367968	/nfs/dbraw/zinc/36/79/68/1032367968.db2.gz	VLYDXSFVEVRECU-INIZCTEOSA-N	-2	3	378.384	3.776	20	5		GHBDHL
O=c1ccc(O)c2oc3cc([O-])cc(OC4Cc5ccccc5C4)c3c([O-])c1-2	ZINC001234120668	1039860564	/nfs/dbraw/zinc/86/05/64/1039860564.db2.gz	UPOUSCRSILDWII-UHFFFAOYSA-N	-2	3	376.364	3.609	20	5		GHBDHL
CC(=O)[C@H](Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12)c1ccccc1	ZINC001234125411	1039867223	/nfs/dbraw/zinc/86/72/23/1039867223.db2.gz	QQCJJIZWRNEJAM-NRFANRHFSA-N	-2	3	392.363	3.772	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@H](C)c4ccncc4)cc([O-])cc3oc21	ZINC001234748422	1040273740	/nfs/dbraw/zinc/27/37/40/1040273740.db2.gz	IDRBBUATTSRNTE-LLVKDONJSA-N	-2	3	379.368	3.901	20	5		GHBDHL
O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000560692835	933467807	/nfs/dbraw/zinc/46/78/07/933467807.db2.gz	WVEMKNMZYRZVQW-UHFFFAOYSA-N	-2	3	394.771	3.864	20	5		GHBDHL
CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@H]2Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1	ZINC001228968983	1033206603	/nfs/dbraw/zinc/20/66/03/1033206603.db2.gz	VWQQLIXMWSVEHZ-BEFAXECRSA-N	-2	3	394.424	3.565	20	5		GHBDHL
C[C@H](COc1ccccc1)Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12	ZINC001234122899	1039862031	/nfs/dbraw/zinc/86/20/31/1039862031.db2.gz	BUAVKIWYYOISQN-GFCCVEGCSA-N	-2	3	394.379	3.909	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@@H]4CCC(=O)CC4(C)C)cc([O-])cc3oc21	ZINC001234748828	1040274789	/nfs/dbraw/zinc/27/47/89/1040274789.db2.gz	LSIRDSGHGWCIEN-QGZVFWFLSA-N	-2	3	398.411	3.893	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(OC4Cc5ccccc5C4)cc([O-])cc3oc21	ZINC001234750086	1040276437	/nfs/dbraw/zinc/27/64/37/1040276437.db2.gz	WNQHXMMHNLGLSA-UHFFFAOYSA-N	-2	3	390.391	3.912	20	5		GHBDHL
O=[N+]([O-])c1ccccc1[C@H](Oc1nc2ncnc-2c([S-])[n-]1)c1ccccc1	ZINC001226783130	1032126114	/nfs/dbraw/zinc/12/61/14/1032126114.db2.gz	VOOAWVPXCIGPLD-OAHLLOKOSA-N	-2	3	379.401	3.718	20	5		GHBDHL
O=[N+]([O-])c1cc(Nc2c([O-])cc(S(=O)(=O)[O-])c3ccccc32)ccc1F	ZINC001211193374	1027833615	/nfs/dbraw/zinc/83/36/15/1027833615.db2.gz	SRMUZMUGFPGADJ-UHFFFAOYSA-N	-2	3	378.337	3.583	20	5		GHBDHL
CCOC(=O)[C@@H]1CCC[C@H](Oc2cc([O-])cc3oc4c([O-])cccc4c(=O)c23)C1	ZINC001234742165	1040268115	/nfs/dbraw/zinc/26/81/15/1040268115.db2.gz	NAMUMDVFAKRKSG-OCCSQVGLSA-N	-2	3	398.411	3.858	20	5		GHBDHL
CC(C)=CCc1c([O-])cc(O[C@@H]2CCOC2=O)c2c(=O)c3cccc([O-])c3oc12	ZINC001234741903	1040268838	/nfs/dbraw/zinc/26/88/38/1040268838.db2.gz	SYEGKYUARHJSGS-MRXNPFEDSA-N	-2	3	396.395	3.560	20	5		GHBDHL
Cc1ccc([C@@H](C)Oc2c([O-])ccc3c([O-])c4c(=O)cc(O)cc-4oc32)cn1	ZINC001234751052	1040280232	/nfs/dbraw/zinc/28/02/32/1040280232.db2.gz	SCMUZZZTJQLYMX-LLVKDONJSA-N	-2	3	379.368	3.906	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@H](C)COC(C)(C)C)cc3c(=O)c12	ZINC001234799069	1040329802	/nfs/dbraw/zinc/32/98/02/1040329802.db2.gz	LOYABUQPSXGKLN-LLVKDONJSA-N	-2	3	388.416	3.948	20	5		GHBDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc4ccccc4cc3c2)cc1	ZINC001260227488	1045420544	/nfs/dbraw/zinc/42/05/44/1045420544.db2.gz	MSZCRUAPSDJOFE-UHFFFAOYSA-N	-2	3	378.409	3.887	20	5		GHBDHL
O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000573588563	844617698	/nfs/dbraw/zinc/61/76/98/844617698.db2.gz	LTYUPMAWVLAPIV-AWEZNQCLSA-N	-2	3	396.428	3.872	20	5		GHBDHL
O=c1cccc2oc3cc([O-])c(OC[C@@H]4CC[C@]5(CCCCO5)O4)cc3c([O-])c1-2	ZINC001227309165	1032366624	/nfs/dbraw/zinc/36/66/24/1032366624.db2.gz	IDBRLEKCMCCYMJ-XMHCIUCPSA-N	-2	3	398.411	3.812	20	5		GHBDHL
CC(C)[C@H]1CC[C@@H](C)C[C@@]12OC[C@H](COc1cc([O-])cc([O-])c1[N+](=O)[O-])O2	ZINC001228970600	1033208468	/nfs/dbraw/zinc/20/84/68/1033208468.db2.gz	IRAWMKNQDRBIHB-JUIVLLAYSA-N	-2	3	381.425	3.589	20	5		GHBDHL
CC(C)=CCc1c([O-])cc(O[C@H]2C[C@@H](O)C2)c2c(=O)c3cccc([O-])c3oc12	ZINC001218424515	1030933480	/nfs/dbraw/zinc/93/34/80/1030933480.db2.gz	YWQXGHLGRFMHOG-BETUJISGSA-N	-2	3	382.412	3.768	20	5		GHBDHL
O=c1c2cccc([O-])c2oc2cc([O-])cc(OC[C@@H]3CC[C@@]4(CCCCO4)O3)c21	ZINC001234741668	1040268709	/nfs/dbraw/zinc/26/87/09/1040268709.db2.gz	KQDIVSJWGPIOOO-RCDICMHDSA-N	-2	3	398.411	3.812	20	5		GHBDHL
O=c1cc(O)cc2oc3c(ccc([O-])c3OC3Cc4ccccc4C3)c([O-])c1-2	ZINC001234753457	1040281883	/nfs/dbraw/zinc/28/18/83/1040281883.db2.gz	OJCSSJPPPKQRKW-UHFFFAOYSA-N	-2	3	376.364	3.609	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@@H]4CCc5cccnc54)cc3c(=O)c12	ZINC001234800437	1040332371	/nfs/dbraw/zinc/33/23/71/1040332371.db2.gz	HRVUURAMUQPZSO-OAHLLOKOSA-N	-2	3	391.379	3.827	20	5		GHBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1	ZINC000157264736	841717835	/nfs/dbraw/zinc/71/78/35/841717835.db2.gz	WBPGQTSUKZYZED-UHFFFAOYSA-N	-2	3	390.339	3.514	20	5		GHBDHL
COC(=O)C[C@H]1CCC[C@H](Oc2cc3c(cc2[O-])oc2cccc(=O)c-2c3[O-])C1	ZINC001227309401	1032366882	/nfs/dbraw/zinc/36/68/82/1032366882.db2.gz	KTMZTEJJEIWKRV-STQMWFEESA-N	-2	3	398.411	3.858	20	5		GHBDHL
CC(C)=CCc1c([O-])cc(OC2COCOC2)c2c(=O)c3cccc([O-])c3oc12	ZINC001234742315	1040267782	/nfs/dbraw/zinc/26/77/82/1040267782.db2.gz	WMAOAVYMDFETRJ-UHFFFAOYSA-N	-2	3	398.411	3.618	20	5		GHBDHL
CC(=O)[C@@H](Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21)c1ccccc1	ZINC001234749889	1040276387	/nfs/dbraw/zinc/27/63/87/1040276387.db2.gz	GARLCNUZLILTOP-HXUWFJFHSA-N	-2	3	392.363	3.772	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@H]4CC=C(OC)CC4)cc([O-])cc3oc21	ZINC001234750617	1040277356	/nfs/dbraw/zinc/27/73/56/1040277356.db2.gz	DFMADATYUDMZBW-ZDUSSCGKSA-N	-2	3	384.384	3.828	20	5		GHBDHL
CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1	ZINC000499178806	881439016	/nfs/dbraw/zinc/43/90/16/881439016.db2.gz	WXOGGDGGWONDRY-LBPRGKRZSA-N	-2	3	380.422	3.587	20	5		GHBDHL
O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000552460403	860533353	/nfs/dbraw/zinc/53/33/53/860533353.db2.gz	KLCGXKXBIQSPGG-UHFFFAOYSA-N	-2	3	394.771	3.864	20	5		GHBDHL
CCOC(=O)[C@H]1CCC[C@H](Oc2cc([O-])cc3oc4c([O-])cccc4c(=O)c23)C1	ZINC001234742162	1040268037	/nfs/dbraw/zinc/26/80/37/1040268037.db2.gz	NAMUMDVFAKRKSG-JSGCOSHPSA-N	-2	3	398.411	3.858	20	5		GHBDHL
O=c1cc(O)cc2oc3c(ccc([O-])c3O[C@@H]3CCc4cccnc43)c([O-])c1-2	ZINC001234750719	1040276593	/nfs/dbraw/zinc/27/65/93/1040276593.db2.gz	NILJMKFVGFWIKV-OAHLLOKOSA-N	-2	3	377.352	3.524	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@H](C)CC(C)(C)OC)cc([O-])cc3oc21	ZINC001234750445	1040277402	/nfs/dbraw/zinc/27/74/02/1040277402.db2.gz	BHRCSGRTZJQUOM-LLVKDONJSA-N	-2	3	388.416	3.948	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@@H]4CCC(F)(F)C4)cc([O-])cc3oc21	ZINC001234752532	1040282749	/nfs/dbraw/zinc/28/27/49/1040282749.db2.gz	YPAJIMRTZISQMF-SNVBAGLBSA-N	-2	3	378.327	3.933	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@H](C)Cc4ccco4)cc3c(=O)c12	ZINC001234800508	1040332300	/nfs/dbraw/zinc/33/23/00/1040332300.db2.gz	INWVJVKFIZNEOZ-LLVKDONJSA-N	-2	3	382.368	3.969	20	5		GHBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)ccc1[O-]	ZINC000024101210	207287933	/nfs/dbraw/zinc/28/79/33/207287933.db2.gz	ICHWOOIXMIXYOM-UHFFFAOYSA-N	-2	3	384.413	3.692	20	5		GHBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)ccc1[O-]	ZINC000024100976	845617848	/nfs/dbraw/zinc/61/78/48/845617848.db2.gz	IESQADAVSKKXPE-UHFFFAOYSA-N	-2	3	386.385	3.894	20	5		GHBDHL
CSc1cccc(C(=O)[N-]c2cccnc2SCCC(=O)[O-])c1[N+](=O)[O-]	ZINC001599821474	988522099	/nfs/dbraw/zinc/52/20/99/988522099.db2.gz	CNTGRNZAOKRRLB-UHFFFAOYSA-N	-2	3	393.446	3.531	20	5		GHBDHL
CCOC(=O)[C@H]1CCC[C@@H](Oc2cc3c(cc2[O-])oc2cccc(=O)c-2c3[O-])C1	ZINC001227310577	1032368884	/nfs/dbraw/zinc/36/88/84/1032368884.db2.gz	VQGHBWCPCNEXFE-QWHCGFSZSA-N	-2	3	398.411	3.858	20	5		GHBDHL
C[C@@H](COc1ccccc1)Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12	ZINC001234122901	1039863038	/nfs/dbraw/zinc/86/30/38/1039863038.db2.gz	BUAVKIWYYOISQN-LBPRGKRZSA-N	-2	3	394.379	3.909	20	5		GHBDHL
CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1	ZINC000499176890	881376163	/nfs/dbraw/zinc/37/61/63/881376163.db2.gz	QHSNRHPUSIZRMB-LBPRGKRZSA-N	-2	3	380.422	3.587	20	5		GHBDHL
CCCOc1cc([N-]C(=O)c2cc(C(=O)[O-])co2)c([N+](=O)[O-])cc1OCCC	ZINC001595952369	983127616	/nfs/dbraw/zinc/12/76/16/983127616.db2.gz	MUPBEDIYGNCNPB-UHFFFAOYSA-N	-2	3	392.364	3.716	20	5		GHBDHL
Cc1ccc([C@H](C)Oc2cc([O-])cc3oc4c(O)ccc(=O)c-4c([O-])c23)cn1	ZINC001234123655	1039864836	/nfs/dbraw/zinc/86/48/36/1039864836.db2.gz	GDMJGBQGGUCSDS-NSHDSACASA-N	-2	3	379.368	3.906	20	5		GHBDHL
CC(C)=CCc1c([O-])cc(OC[C@@H]2COCO2)c2c(=O)c3cccc([O-])c3oc12	ZINC001234740186	1040266808	/nfs/dbraw/zinc/26/68/08/1040266808.db2.gz	GLMBRVFSBDSQLV-ZDUSSCGKSA-N	-2	3	398.411	3.618	20	5		GHBDHL
COC(=O)C[C@@H]1CCC[C@H](Oc2cc([O-])cc3oc4c([O-])cccc4c(=O)c23)C1	ZINC001234741799	1040268074	/nfs/dbraw/zinc/26/80/74/1040268074.db2.gz	MFCQKUVPJNZPTB-OCCSQVGLSA-N	-2	3	398.411	3.858	20	5		GHBDHL
O=C([N-]c1nnc(SCc2cccs2)s1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000431761076	837374720	/nfs/dbraw/zinc/37/47/20/837374720.db2.gz	TXRBSZYBNIIVAL-UHFFFAOYSA-N	-2	3	394.459	3.758	20	5		GHBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)ccc1[O-]	ZINC000523534881	867474163	/nfs/dbraw/zinc/47/41/63/867474163.db2.gz	TUPAZSNFXWDRNE-UHFFFAOYSA-N	-2	3	392.433	3.560	20	5		GHBDHL
O=c1cc(O)cc2oc3c(ccc([O-])c3O[C@H]3CCc4ccccc4C3)c([O-])c1-2	ZINC001234749675	1040277096	/nfs/dbraw/zinc/27/70/96/1040277096.db2.gz	CXKDFPDEDMWMDQ-HNNXBMFYSA-N	-2	3	390.391	3.999	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@@H]4CC=C(OC)CC4)cc([O-])cc3oc21	ZINC001234750616	1040278102	/nfs/dbraw/zinc/27/81/02/1040278102.db2.gz	DFMADATYUDMZBW-CYBMUJFWSA-N	-2	3	384.384	3.828	20	5		GHBDHL
O=c1cc(O)cc2oc3c(ccc([O-])c3O[C@H]3COCc4ccccc43)c([O-])c1-2	ZINC001234751635	1040279900	/nfs/dbraw/zinc/27/99/00/1040279900.db2.gz	ZQSCAGIGAFMOFE-SFHVURJKSA-N	-2	3	392.363	3.713	20	5		GHBDHL
CC(=O)[C@H](C)Oc1cc([O-])cc2oc3cc([O-])c4c(c3c(=O)c12)CCC(C)(C)O4	ZINC001234799075	1040331194	/nfs/dbraw/zinc/33/11/94/1040331194.db2.gz	LPFDPSQMTWPJTH-NSHDSACASA-N	-2	3	398.411	3.817	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@H]4CCC(=O)CC4(C)C)cc3c(=O)c12	ZINC001234801475	1040334039	/nfs/dbraw/zinc/33/40/39/1040334039.db2.gz	QVXJKTLLVNYISB-IBGZPJMESA-N	-2	3	398.411	3.893	20	5		GHBDHL
Cc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2)o1	ZINC000475836585	884858945	/nfs/dbraw/zinc/85/89/45/884858945.db2.gz	QZQDFFVQLXZKDS-UHFFFAOYSA-N	-2	3	388.401	3.978	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@@H](C)c4ccncc4)cc([O-])cc3oc21	ZINC001234748423	1040274974	/nfs/dbraw/zinc/27/49/74/1040274974.db2.gz	IDRBBUATTSRNTE-NSHDSACASA-N	-2	3	379.368	3.901	20	5		GHBDHL
O=c1c2cccc([O-])c2oc2cc([O-])cc(OC[C@H]3Cc4ccccc4O3)c21	ZINC001234749025	1040275415	/nfs/dbraw/zinc/27/54/15/1040275415.db2.gz	VVAJNWOKWLIEGE-CQSZACIVSA-N	-2	3	376.364	3.740	20	5		GHBDHL
O=c1cc(O)cc2oc3c(ccc([O-])c3O[C@@H](c3cccnc3)C3CC3)c([O-])c1-2	ZINC001234750202	1040276267	/nfs/dbraw/zinc/27/62/67/1040276267.db2.gz	HLDXGSMJGGZLAK-HXUWFJFHSA-N	-2	3	391.379	3.988	20	5		GHBDHL
CC1(C)CC(=O)CC[C@@H]1Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21	ZINC001234750263	1040278008	/nfs/dbraw/zinc/27/80/08/1040278008.db2.gz	IQRVNNIAYGUIST-INIZCTEOSA-N	-2	3	384.384	3.590	20	5		GHBDHL
O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000187207964	836196261	/nfs/dbraw/zinc/19/62/61/836196261.db2.gz	IWMUOXMRTWBSIF-UHFFFAOYSA-N	-2	3	378.555	3.614	20	5		GHBDHL
CCCCOC[C@@H](C)Oc1cc([O-])cc2oc3c(ccc([O-])c3OC)c(=O)c12	ZINC001234747469	1040271957	/nfs/dbraw/zinc/27/19/57/1040271957.db2.gz	AYUNDFDUBQRDTN-GFCCVEGCSA-N	-2	3	388.416	3.950	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@@H](C)c4nccs4)cc([O-])cc3oc21	ZINC001234752157	1040279837	/nfs/dbraw/zinc/27/98/37/1040279837.db2.gz	VHMFDJUUFMIDNG-VIFPVBQESA-N	-2	3	385.397	3.963	20	5		GHBDHL
CC(C)(c1nnc([N-]C(=O)c2cc([O-])ccc2[N+](=O)[O-])s1)c1ccccc1	ZINC000497479612	891705475	/nfs/dbraw/zinc/70/54/75/891705475.db2.gz	ICQASCJQTARFOG-UHFFFAOYSA-N	-2	3	384.417	3.730	20	5		GHBDHL
O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1	ZINC001228973682	1033211794	/nfs/dbraw/zinc/21/17/94/1033211794.db2.gz	LIMMSEIPKKHANE-GFCCVEGCSA-N	-2	3	399.230	3.966	20	5		GHBDHL
O=c1ccc(O)c2oc3cc([O-])cc(O[C@@H]4CCOc5ccccc54)c3c([O-])c1-2	ZINC001234123657	1039864105	/nfs/dbraw/zinc/86/41/05/1039864105.db2.gz	GEOPFKUFZXZEGT-MRXNPFEDSA-N	-2	3	392.363	3.966	20	5		GHBDHL
CC(C)=CCc1cc2c([O-])c3c(=O)ccc(O)c-3oc2c(O[C@H](C)C(C)=O)c1[O-]	ZINC001234333398	1039972031	/nfs/dbraw/zinc/97/20/31/1039972031.db2.gz	ZSAKZTIYCOQQEF-GFCCVEGCSA-N	-2	3	398.411	3.928	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(OC[C@@H]4CCC(C)(C)O4)cc([O-])cc3oc21	ZINC001234747438	1040271747	/nfs/dbraw/zinc/27/17/47/1040271747.db2.gz	ATSIBQWBNVZSMF-LBPRGKRZSA-N	-2	3	386.400	3.702	20	5		GHBDHL
O=c1c2cccc([O-])c2oc2cc([O-])cc(OC[C@H]3COc4ccccc4O3)c12	ZINC001234748614	1040273585	/nfs/dbraw/zinc/27/35/85/1040273585.db2.gz	UIONNDZELHZXGJ-CYBMUJFWSA-N	-2	3	392.363	3.576	20	5		GHBDHL
CC1(C)CC(=O)CC[C@H]1Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21	ZINC001234750264	1040278238	/nfs/dbraw/zinc/27/82/38/1040278238.db2.gz	IQRVNNIAYGUIST-MRXNPFEDSA-N	-2	3	384.384	3.590	20	5		GHBDHL
CCCCOC[C@H](C)Oc1cc2c(cc1[O-])oc1cc([O-])cc(OC)c1c2=O	ZINC001234802524	1040334380	/nfs/dbraw/zinc/33/43/80/1040334380.db2.gz	YRAALRPJAUNIPL-LBPRGKRZSA-N	-2	3	388.416	3.950	20	5		GHBDHL
COc1ccc2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c([O-])cc3C)ccc2c1	ZINC000795366584	910070856	/nfs/dbraw/zinc/07/08/56/910070856.db2.gz	OTRMHGAWECBUPI-UHFFFAOYSA-N	-2	3	388.401	3.571	20	5		GHBDHL
O=[N+]([O-])c1ccccc1[C@@H](Oc1nc2ncnc-2c([S-])[n-]1)c1ccccc1	ZINC001226783121	1032125873	/nfs/dbraw/zinc/12/58/73/1032125873.db2.gz	VOOAWVPXCIGPLD-HNNXBMFYSA-N	-2	3	379.401	3.718	20	5		GHBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)ccc1[O-]	ZINC000132769464	862256008	/nfs/dbraw/zinc/25/60/08/862256008.db2.gz	OVFISZDFNHMLCY-UHFFFAOYSA-N	-2	3	390.339	3.596	20	5		GHBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(SC(F)F)c1	ZINC000766321360	868970514	/nfs/dbraw/zinc/97/05/14/868970514.db2.gz	MNRXQSWKGAWEDH-UHFFFAOYSA-N	-2	3	390.389	3.724	20	5		GHBDHL
O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000552093096	871997959	/nfs/dbraw/zinc/99/79/59/871997959.db2.gz	WJNCYIAEXFMMFH-UHFFFAOYSA-N	-2	3	393.186	3.672	20	5		GHBDHL
CC(C)=CCc1c([O-])cc(O[C@H](C)CON)c2c1oc1c([O-])cccc1c2=O	ZINC001234742327	1040267863	/nfs/dbraw/zinc/26/78/63/1040267863.db2.gz	XDVFUYJATUWQTB-GFCCVEGCSA-N	-2	3	385.416	3.524	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@@H](C)c4nccs4)cc3c(=O)c12	ZINC001234796692	1040328284	/nfs/dbraw/zinc/32/82/84/1040328284.db2.gz	PCSUQYSZZUIRJM-VIFPVBQESA-N	-2	3	385.397	3.963	20	5		GHBDHL
Cc1nc(C=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[n-]c(=O)c1CC(=O)[O-]	ZINC000504719732	850270098	/nfs/dbraw/zinc/27/00/98/850270098.db2.gz	CYTRIHGOJPZXRI-VQHVLOKHSA-N	-2	3	397.412	3.925	20	5		GHBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC3CCCCC3)cc2)ccc1[O-]	ZINC000523838064	868119116	/nfs/dbraw/zinc/11/91/16/868119116.db2.gz	SVIXMKIGNHWSPO-UHFFFAOYSA-N	-2	3	392.433	3.813	20	5		GHBDHL
Cc1nc(C=Cc2ccc(-c3cccc([N+](=O)[O-])c3)s2)[n-]c(=O)c1CC(=O)[O-]	ZINC000470237866	930478053	/nfs/dbraw/zinc/47/80/53/930478053.db2.gz	OOCVGTGGNWDAMC-SOFGYWHQSA-N	-2	3	397.412	3.925	20	5		GHBDHL
O=[N+]([O-])c1cc(F)ccc1Nc1ccc2c([O-])cc(S(=O)(=O)[O-])cc2c1	ZINC001210953745	1027718298	/nfs/dbraw/zinc/71/82/98/1027718298.db2.gz	OPRNBNFJTVHVNF-UHFFFAOYSA-N	-2	3	378.337	3.583	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@@H](C)c4ccccn4)cc3c(=O)c12	ZINC001234801094	1040332169	/nfs/dbraw/zinc/33/21/69/1040332169.db2.gz	ODHMXBLEIXGOPG-NSHDSACASA-N	-2	3	379.368	3.901	20	5		GHBDHL
CC[C@H](c1nnc([N-]C(=O)c2cc([O-])ccc2[N+](=O)[O-])s1)c1ccccc1	ZINC000510676873	843182826	/nfs/dbraw/zinc/18/28/26/843182826.db2.gz	BCGQNTNDQFDQCU-ZDUSSCGKSA-N	-2	3	384.417	3.946	20	5		GHBDHL
O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@H]1CCOc2ccc(Br)cc21	ZINC001228968823	1033207402	/nfs/dbraw/zinc/20/74/02/1033207402.db2.gz	QUDHEKDDZACZAT-ZDUSSCGKSA-N	-2	3	382.166	3.671	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(OC4CCC(OC)CC4)cc([O-])cc3oc21	ZINC001234749655	1040278370	/nfs/dbraw/zinc/27/83/70/1040278370.db2.gz	SFFAKVUVFRPNSB-UHFFFAOYSA-N	-2	3	386.400	3.702	20	5		GHBDHL
COc1ccc([C@H](C)Oc2c([O-])ccc3c([O-])c4c(=O)cc(O)cc-4oc32)cn1	ZINC001234751245	1040280415	/nfs/dbraw/zinc/28/04/15/1040280415.db2.gz	VPKDCPTXWTWPHC-JTQLQIEISA-N	-2	3	395.367	3.607	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@H]4CCCC(=O)C4(C)C)cc3c(=O)c12	ZINC001234801386	1040332616	/nfs/dbraw/zinc/33/26/16/1040332616.db2.gz	PZFQKJOVKOAPPH-IBGZPJMESA-N	-2	3	398.411	3.893	20	5		GHBDHL
Cc1nc(C=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[n-]c(=O)c1CC(=O)[O-]	ZINC000504719731	850269854	/nfs/dbraw/zinc/26/98/54/850269854.db2.gz	CYTRIHGOJPZXRI-CLFYSBASSA-N	-2	3	397.412	3.925	20	5		GHBDHL
O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000608912879	865811850	/nfs/dbraw/zinc/81/18/50/865811850.db2.gz	BETZGNQDQRHKEO-UHFFFAOYSA-N	-2	3	393.186	3.672	20	5		GHBDHL
COC(=O)C[C@@H]1CCC[C@H](Oc2cc3c(cc2[O-])oc2cccc(=O)c-2c3[O-])C1	ZINC001227309392	1032366489	/nfs/dbraw/zinc/36/64/89/1032366489.db2.gz	KTMZTEJJEIWKRV-OLZOCXBDSA-N	-2	3	398.411	3.858	20	5		GHBDHL
O=c1ccc(O)c2oc3cc([O-])cc(O[C@H]4CCCc5cccnc54)c3c([O-])c1-2	ZINC001234119045	1039858987	/nfs/dbraw/zinc/85/89/87/1039858987.db2.gz	KXRIJQKOOZYFBU-HNNXBMFYSA-N	-2	3	391.379	3.914	20	5		GHBDHL
COc1ccc([C@H](C)Oc2cc([O-])cc3oc4c([O-])cccc4c(=O)c23)cn1	ZINC001234740911	1040266905	/nfs/dbraw/zinc/26/69/05/1040266905.db2.gz	CKAQVVJOJVVUAK-NSHDSACASA-N	-2	3	379.368	3.901	20	5		GHBDHL
CC1(C)C(=O)CCC[C@@H]1Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21	ZINC001234751591	1040280949	/nfs/dbraw/zinc/28/09/49/1040280949.db2.gz	YDERDTANMPUKJT-INIZCTEOSA-N	-2	3	384.384	3.590	20	5		GHBDHL
CC1(C)CCc2c(c([O-])cc3oc4cc([O-])cc(O[C@@H]5CCOC5)c4c(=O)c32)O1	ZINC001234798685	1040328628	/nfs/dbraw/zinc/32/86/28/1040328628.db2.gz	JEKLCMIEOLXSGW-GFCCVEGCSA-N	-2	3	398.411	3.629	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@@H](C)Cc4ccco4)cc3c(=O)c12	ZINC001234800510	1040332922	/nfs/dbraw/zinc/33/29/22/1040332922.db2.gz	INWVJVKFIZNEOZ-NSHDSACASA-N	-2	3	382.368	3.969	20	5		GHBDHL
COc1ccc([C@@H](C)Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])cn1	ZINC001227306374	1032365615	/nfs/dbraw/zinc/36/56/15/1032365615.db2.gz	JKGXPDMBFNJFQL-LLVKDONJSA-N	-2	3	379.368	3.901	20	5		GHBDHL
O=c1cccc2oc3cc([O-])c(OC[C@H]4CC[C@]5(CCCCO5)O4)cc3c([O-])c1-2	ZINC001227309162	1032366784	/nfs/dbraw/zinc/36/67/84/1032366784.db2.gz	IDBRLEKCMCCYMJ-DMZKTXOQSA-N	-2	3	398.411	3.812	20	5		GHBDHL
COc1ccc(COc2cc([O-])cc([O-])c2[N+](=O)[O-])cc1OC1CCCC1	ZINC001228969903	1033208392	/nfs/dbraw/zinc/20/83/92/1033208392.db2.gz	DWESOBSMFONPGX-UHFFFAOYSA-N	-2	3	375.377	3.915	20	5		GHBDHL
CC[C@H](C)OC(=O)N1CCCC[C@@H]1CCOc1cc([O-])cc([O-])c1[N+](=O)[O-]	ZINC001228972507	1033210243	/nfs/dbraw/zinc/21/02/43/1033210243.db2.gz	XCOLWSWDMLQHTR-QWHCGFSZSA-N	-2	3	382.413	3.565	20	5		GHBDHL
CC(C)=CCc1c([O-])cc(O[C@H]2C[C@H](O)C2)c2c(=O)c3cccc([O-])c3oc12	ZINC001218367728	1030910780	/nfs/dbraw/zinc/91/07/80/1030910780.db2.gz	YWQXGHLGRFMHOG-JOCQHMNTSA-N	-2	3	382.412	3.768	20	5		GHBDHL
CCCC(=O)[C@H](CCC)Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12	ZINC001234125157	1039865894	/nfs/dbraw/zinc/86/58/94/1039865894.db2.gz	NUZWGRKOQKUOIV-HNNXBMFYSA-N	-2	3	386.400	3.980	20	5		GHBDHL
CC1(C)C(=O)CCC[C@@H]1Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12	ZINC001234124475	1039867143	/nfs/dbraw/zinc/86/71/43/1039867143.db2.gz	JQGPZNBKIFLZGR-INIZCTEOSA-N	-2	3	384.384	3.590	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@@H](C)c4cccnc4)cc([O-])cc3oc21	ZINC001234747966	1040274841	/nfs/dbraw/zinc/27/48/41/1040274841.db2.gz	FOSXOWHZTBZVSU-NSHDSACASA-N	-2	3	379.368	3.901	20	5		GHBDHL
CC(C)=CCc1cc2c([O-])c3c(=O)ccc(O)c-3oc2c(OC[C@H]2CCO2)c1[O-]	ZINC001234332447	1039971067	/nfs/dbraw/zinc/97/10/67/1039971067.db2.gz	VTYBDMWSMYJGKV-CYBMUJFWSA-N	-2	3	398.411	3.739	20	5		GHBDHL
CCOC(=O)[C@@H](CC(C)C)Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12	ZINC001234742807	1040270100	/nfs/dbraw/zinc/27/01/00/1040270100.db2.gz	SQTGRJVUWJKYDY-QGZVFWFLSA-N	-2	3	386.400	3.714	20	5		GHBDHL
CCCCOC[C@H](C)Oc1cc([O-])cc2oc3c(ccc([O-])c3OC)c(=O)c12	ZINC001234747471	1040272554	/nfs/dbraw/zinc/27/25/54/1040272554.db2.gz	AYUNDFDUBQRDTN-LBPRGKRZSA-N	-2	3	388.416	3.950	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(OC[C@@H]4CCC(C)(C)O4)cc3c(=O)c12	ZINC001234797156	1040328095	/nfs/dbraw/zinc/32/80/95/1040328095.db2.gz	BTJZUDPASJHNRQ-LBPRGKRZSA-N	-2	3	386.400	3.702	20	5		GHBDHL
Cc1nc(C=Cc2ccc(-c3cccc([N+](=O)[O-])c3)s2)[n-]c(=O)c1CC(=O)[O-]	ZINC000470237867	930477836	/nfs/dbraw/zinc/47/78/36/930477836.db2.gz	OOCVGTGGNWDAMC-VURMDHGXSA-N	-2	3	397.412	3.925	20	5		GHBDHL
CC(=O)[C@@H](Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12)c1ccccc1	ZINC001234125413	1039866839	/nfs/dbraw/zinc/86/68/39/1039866839.db2.gz	QQCJJIZWRNEJAM-OAQYLSRUSA-N	-2	3	392.363	3.772	20	5		GHBDHL
C[C@@H](Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21)c1cccnc1F	ZINC001234751522	1040279701	/nfs/dbraw/zinc/27/97/01/1040279701.db2.gz	WLSPDHWKCLMEPV-SECBINFHSA-N	-2	3	383.331	3.737	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@H](C)c4cn(C)nc4C)cc3c(=O)c12	ZINC001234799700	1040330945	/nfs/dbraw/zinc/33/09/45/1040330945.db2.gz	SACZRGPQIUULME-LLVKDONJSA-N	-2	3	396.399	3.548	20	5		GHBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nccs2)cc1	ZINC000499160255	881339965	/nfs/dbraw/zinc/33/99/65/881339965.db2.gz	GQMVTVFTNOUHMJ-UHFFFAOYSA-N	-2	3	391.430	3.533	20	5		GHBDHL
O=c1cccc2oc3cc([O-])c(OC[C@H]4CC[C@@]5(CCCCO5)O4)cc3c([O-])c1-2	ZINC001227309163	1032367218	/nfs/dbraw/zinc/36/72/18/1032367218.db2.gz	IDBRLEKCMCCYMJ-MCMMXHMISA-N	-2	3	398.411	3.812	20	5		GHBDHL
O=[N+]([O-])c1c([O-])cc([O-])cc1OC1CN(C(c2ccccc2)c2ccccc2)C1	ZINC001228972211	1033210383	/nfs/dbraw/zinc/21/03/83/1033210383.db2.gz	UXBVPEPUTPQFIW-UHFFFAOYSA-N	-2	3	392.411	3.859	20	5		GHBDHL
COC(=O)[C@@H](Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12)c1ccccc1	ZINC001234743149	1040270942	/nfs/dbraw/zinc/27/09/42/1040270942.db2.gz	ZZWZQSYXAVGFAL-FQEVSTJZSA-N	-2	3	392.363	3.651	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@@H](C)c4cnn(C)c4C)cc3c(=O)c12	ZINC001234798620	1040329102	/nfs/dbraw/zinc/32/91/02/1040329102.db2.gz	IPEBQZUMRGTGDX-NSHDSACASA-N	-2	3	396.399	3.548	20	5		GHBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1C	ZINC000499262052	881784810	/nfs/dbraw/zinc/78/48/10/881784810.db2.gz	FRIUVUGBTNDWGY-UHFFFAOYSA-N	-2	3	390.339	3.737	20	5		GHBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1NC(C)(C)C	ZINC000410409400	925623456	/nfs/dbraw/zinc/62/34/56/925623456.db2.gz	UQCIOSSLWHOHKC-UHFFFAOYSA-N	-2	3	379.438	3.620	20	5		GHBDHL
O=C([O-])c1ccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c(F)c1	ZINC001602381208	971192155	/nfs/dbraw/zinc/19/21/55/971192155.db2.gz	YQLYWTFWCLLYBW-UHFFFAOYSA-N	-2	3	389.158	3.508	20	5		GHBDHL
COc1ccc([C@H](C)Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])cn1	ZINC001227306375	1032365024	/nfs/dbraw/zinc/36/50/24/1032365024.db2.gz	JKGXPDMBFNJFQL-NSHDSACASA-N	-2	3	379.368	3.901	20	5		GHBDHL
CCOC(=O)[C@H]1CCC[C@@H](Oc2cc([O-])cc3oc4c([O-])cccc4c(=O)c23)C1	ZINC001234742161	1040267689	/nfs/dbraw/zinc/26/76/89/1040267689.db2.gz	NAMUMDVFAKRKSG-GXTWGEPZSA-N	-2	3	398.411	3.858	20	5		GHBDHL
C[C@H](COc1ccccc1)Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21	ZINC001234749821	1040277043	/nfs/dbraw/zinc/27/70/43/1040277043.db2.gz	DSRZGUFUENIDQL-GFCCVEGCSA-N	-2	3	394.379	3.909	20	5		GHBDHL
CC1(C)CCc2c(c([O-])cc3oc4cc([O-])cc(OC[C@H]5CCO5)c4c(=O)c32)O1	ZINC001234799159	1040331098	/nfs/dbraw/zinc/33/10/98/1040331098.db2.gz	NJSAZXYIIGQXGT-GFCCVEGCSA-N	-2	3	398.411	3.629	20	5		GHBDHL
CSc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1Cl	ZINC000499279522	881872960	/nfs/dbraw/zinc/87/29/60/881872960.db2.gz	BCFWDPCKHNUTNK-UHFFFAOYSA-N	-2	3	388.854	3.785	20	5		GHBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nccs2)c1	ZINC000158911918	902297448	/nfs/dbraw/zinc/29/74/48/902297448.db2.gz	VMOPDLMMXSGFHL-UHFFFAOYSA-N	-2	3	391.430	3.533	20	5		GHBDHL
CC(C)[C@H]1CC[C@@H](C)C[C@@]12OC[C@@H](COc1cc([O-])cc([O-])c1[N+](=O)[O-])O2	ZINC001228970599	1033208831	/nfs/dbraw/zinc/20/88/31/1033208831.db2.gz	IRAWMKNQDRBIHB-HHEAZKOWSA-N	-2	3	381.425	3.589	20	5		GHBDHL
CC[C@@H](C)OC(=O)N1CCCC[C@@H]1CCOc1cc([O-])cc([O-])c1[N+](=O)[O-]	ZINC001228972505	1033210013	/nfs/dbraw/zinc/21/00/13/1033210013.db2.gz	XCOLWSWDMLQHTR-CHWSQXEVSA-N	-2	3	382.413	3.565	20	5		GHBDHL
C[C@@H](Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12)c1cccnc1F	ZINC001234125451	1039869608	/nfs/dbraw/zinc/86/96/08/1039869608.db2.gz	REPSEIMKFZUQBZ-SECBINFHSA-N	-2	3	383.331	3.737	20	5		GHBDHL
Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2)cs1	ZINC000032506183	887223085	/nfs/dbraw/zinc/22/30/85/887223085.db2.gz	DBPGYFNPUXCWHW-UHFFFAOYSA-N	-2	3	391.430	3.533	20	5		GHBDHL
CC(C)=CCc1cc2c([O-])c3c(=O)ccc(O)c-3oc2c(O[C@@H](C)C(C)=O)c1[O-]	ZINC001234333399	1039971428	/nfs/dbraw/zinc/97/14/28/1039971428.db2.gz	ZSAKZTIYCOQQEF-LBPRGKRZSA-N	-2	3	398.411	3.928	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@@H](C)COC(C)(C)C)cc([O-])cc3oc21	ZINC001234748685	1040275638	/nfs/dbraw/zinc/27/56/38/1040275638.db2.gz	IURJMQLKGOOFMV-NSHDSACASA-N	-2	3	388.416	3.948	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@H](C)c4ccccn4)cc([O-])cc3oc21	ZINC001234749621	1040277681	/nfs/dbraw/zinc/27/76/81/1040277681.db2.gz	RMJQDIMLYGVOKY-LLVKDONJSA-N	-2	3	379.368	3.901	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@@H](C)c4ccccn4)cc([O-])cc3oc21	ZINC001234749622	1040278426	/nfs/dbraw/zinc/27/84/26/1040278426.db2.gz	RMJQDIMLYGVOKY-NSHDSACASA-N	-2	3	379.368	3.901	20	5		GHBDHL
O=C(Nc1cc(Br)ccc1[O-])c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC001447279715	1059943852	/nfs/dbraw/zinc/94/38/52/1059943852.db2.gz	UYBAVKUWAAFWKZ-UHFFFAOYSA-N	-2	3	387.573	3.674	20	5		GHBDHL
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1cccc([O-])c1F	ZINC000131516457	854765492	/nfs/dbraw/zinc/76/54/92/854765492.db2.gz	JTCIMABZPDOSAZ-UHFFFAOYSA-N	-2	3	381.168	3.547	20	5		GHBDHL
CC(C)CCOC(=O)[C@H](C)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-]	ZINC001227310641	1032369000	/nfs/dbraw/zinc/36/90/00/1032369000.db2.gz	WNVZUVJZSWQTTF-LBPRGKRZSA-N	-2	3	386.400	3.714	20	5		GHBDHL
CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@H]2Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1	ZINC001228968985	1033207280	/nfs/dbraw/zinc/20/72/80/1033207280.db2.gz	VWQQLIXMWSVEHZ-HNAYVOBHSA-N	-2	3	394.424	3.565	20	5		GHBDHL
CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CC1(C)C	ZINC001228972673	1033210298	/nfs/dbraw/zinc/21/02/98/1033210298.db2.gz	CAJALOVKLSHSAV-GFCCVEGCSA-N	-2	3	382.413	3.563	20	5		GHBDHL
CC(C)(C)C(=O)OC1CC(Oc2cc([O-])cc3oc4c([O-])cccc4c(=O)c23)C1	ZINC001234741008	1040266251	/nfs/dbraw/zinc/26/62/51/1040266251.db2.gz	DIBUIPXRPOUQGX-UHFFFAOYSA-N	-2	3	398.411	3.857	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@@H](C)C4CCOCC4)cc([O-])cc3oc21	ZINC001234749309	1040274881	/nfs/dbraw/zinc/27/48/81/1040274881.db2.gz	OIJJWLCMWTXLPD-NSHDSACASA-N	-2	3	386.400	3.560	20	5		GHBDHL
CCCCOC[C@@H](C)Oc1cc2c(cc1[O-])oc1cc([O-])cc(OC)c1c2=O	ZINC001234802521	1040333872	/nfs/dbraw/zinc/33/38/72/1040333872.db2.gz	YRAALRPJAUNIPL-GFCCVEGCSA-N	-2	3	388.416	3.950	20	5		GHBDHL
CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1	ZINC000499178805	881438917	/nfs/dbraw/zinc/43/89/17/881438917.db2.gz	WXOGGDGGWONDRY-GFCCVEGCSA-N	-2	3	380.422	3.587	20	5		GHBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1	ZINC000752862097	929059194	/nfs/dbraw/zinc/05/91/94/929059194.db2.gz	YHKXMIKYAJUEMX-UHFFFAOYSA-N	-2	3	390.389	3.724	20	5		GHBDHL
O=c1cccc2oc3cc([O-])c(OC[C@@H]4Cc5ccccc5O4)cc3c([O-])c1-2	ZINC001227307486	1032365668	/nfs/dbraw/zinc/36/56/68/1032365668.db2.gz	WVGWAZOMPOLBCY-ZDUSSCGKSA-N	-2	3	376.364	3.740	20	5		GHBDHL
CC(C)CCOC(=O)[C@@H](C)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-]	ZINC001227310638	1032369162	/nfs/dbraw/zinc/36/91/62/1032369162.db2.gz	WNVZUVJZSWQTTF-GFCCVEGCSA-N	-2	3	386.400	3.714	20	5		GHBDHL
O=c1cccc2oc3cc([O-])c(OC[C@H]4COc5cscc5O4)cc3c([O-])c1-2	ZINC001227311155	1032369358	/nfs/dbraw/zinc/36/93/58/1032369358.db2.gz	YNFCEIPFCPCSCK-JTQLQIEISA-N	-2	3	398.392	3.638	20	5		GHBDHL
C[C@H](Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12)c1ncccc1F	ZINC001234125428	1039868500	/nfs/dbraw/zinc/86/85/00/1039868500.db2.gz	QWCOQBQJHNCFTQ-VIFPVBQESA-N	-2	3	383.331	3.737	20	5		GHBDHL
CC[C@@H](O)C(=O)Oc1cc([O-])c(CC=C(C)C)c2oc3c([O-])cccc3c(=O)c12	ZINC001234740181	1040266712	/nfs/dbraw/zinc/26/67/12/1040266712.db2.gz	GIEXVSKBSNYFKQ-CQSZACIVSA-N	-2	3	398.411	3.542	20	5		GHBDHL
CC[C@@H](c1nnc([N-]C(=O)c2cc([O-])ccc2[N+](=O)[O-])s1)c1ccccc1	ZINC000510676872	843182511	/nfs/dbraw/zinc/18/25/11/843182511.db2.gz	BCGQNTNDQFDQCU-CYBMUJFWSA-N	-2	3	384.417	3.946	20	5		GHBDHL
COc1cc(Br)c([O-])c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC001176676877	908205132	/nfs/dbraw/zinc/20/51/32/908205132.db2.gz	KYCSSOGOZXNVAF-UHFFFAOYSA-N	-2	3	383.154	3.513	20	5		GHBDHL
O=C(CCc1c2ccccc2cc2ccccc21)NCCCCP(=O)([O-])[O-]	ZINC001182412324	911625187	/nfs/dbraw/zinc/62/51/87/911625187.db2.gz	CVJRGOXOLNLPEG-UHFFFAOYSA-N	-2	3	385.400	4.000	20	5		GHBDHL
COC(=O)CC1CCC(Oc2cc3c(cc2[O-])oc2cccc(=O)c-2c3[O-])CC1	ZINC001227309571	1032366855	/nfs/dbraw/zinc/36/68/55/1032366855.db2.gz	NVZVLFRPBRQPST-UHFFFAOYSA-N	-2	3	398.411	3.858	20	5		GHBDHL
O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@@H]1CCOc2ccc(Br)cc21	ZINC001228968822	1033206857	/nfs/dbraw/zinc/20/68/57/1033206857.db2.gz	QUDHEKDDZACZAT-CYBMUJFWSA-N	-2	3	382.166	3.671	20	5		GHBDHL
CC(C)=CCc1cc2c([O-])c3c(=O)ccc(O)c-3oc2c(O[C@@H]2CCOC2)c1[O-]	ZINC001234332851	1039971471	/nfs/dbraw/zinc/97/14/71/1039971471.db2.gz	WLTZSSZMMGKIBF-CYBMUJFWSA-N	-2	3	398.411	3.739	20	5		GHBDHL
CC(C)=CCc1c([O-])cc(O[C@@H]2COC(=O)C2)c2c(=O)c3cccc([O-])c3oc12	ZINC001234742343	1040267981	/nfs/dbraw/zinc/26/79/81/1040267981.db2.gz	XMBSHWJPKQKTPO-LBPRGKRZSA-N	-2	3	396.395	3.560	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@H](C)c4cccnc4)cc([O-])cc3oc21	ZINC001234747965	1040275528	/nfs/dbraw/zinc/27/55/28/1040275528.db2.gz	FOSXOWHZTBZVSU-LLVKDONJSA-N	-2	3	379.368	3.901	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@@H]4CCOC(C)(C)C4)cc3c(=O)c12	ZINC001234798755	1040327830	/nfs/dbraw/zinc/32/78/30/1040327830.db2.gz	FGRZAEGAURGZGI-GFCCVEGCSA-N	-2	3	386.400	3.702	20	5		GHBDHL
CC(C)(C)OC(=O)N1CCC2(CC[C@H]2Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CC1	ZINC001228968148	1033206576	/nfs/dbraw/zinc/20/65/76/1033206576.db2.gz	HRUOGEVHSDHHTM-OAHLLOKOSA-N	-2	3	394.424	3.565	20	5		GHBDHL
CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CC12CCC2	ZINC001228970046	1033208252	/nfs/dbraw/zinc/20/82/52/1033208252.db2.gz	FFEQQOPKDVGIMX-CYBMUJFWSA-N	-2	3	394.424	3.707	20	5		GHBDHL
CC(C)(C)OC(=O)N1CCCC2(CC(Oc3cc([O-])cc([O-])c3[N+](=O)[O-])C2)C1	ZINC001228969945	1033208760	/nfs/dbraw/zinc/20/87/60/1033208760.db2.gz	DXYHSNJBQGRWMR-UHFFFAOYSA-N	-2	3	394.424	3.565	20	5		GHBDHL
O=c1ccc(O)c2oc3cc([O-])cc(O[C@H]4CCOc5ccccc54)c3c([O-])c1-2	ZINC001234123656	1039865305	/nfs/dbraw/zinc/86/53/05/1039865305.db2.gz	GEOPFKUFZXZEGT-INIZCTEOSA-N	-2	3	392.363	3.966	20	5		GHBDHL
Cc1cn2c(n1)[C@@H](Oc1cc([O-])cc3oc4c([O-])cccc4c(=O)c13)CCC2	ZINC001234743054	1040270516	/nfs/dbraw/zinc/27/05/16/1040270516.db2.gz	WUBBJGFESCBSGL-HNNXBMFYSA-N	-2	3	378.384	3.776	20	5		GHBDHL
O=c1c2cccc([O-])c2oc2cc([O-])cc(OC[C@@H]3Cc4ccccc4O3)c21	ZINC001234749024	1040274422	/nfs/dbraw/zinc/27/44/22/1040274422.db2.gz	VVAJNWOKWLIEGE-AWEZNQCLSA-N	-2	3	376.364	3.740	20	5		GHBDHL
CCCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c(C)c1	ZINC000499165493	881356212	/nfs/dbraw/zinc/35/62/12/881356212.db2.gz	ACENQNSYEBNKNX-UHFFFAOYSA-N	-2	3	380.422	3.507	20	5		GHBDHL
CCC[C@H](CC(=O)OCC)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-]	ZINC001227306948	1032365784	/nfs/dbraw/zinc/36/57/84/1032365784.db2.gz	QNZQDIIPHNVWLH-GFCCVEGCSA-N	-2	3	386.400	3.858	20	5		GHBDHL
COC(=O)C[C@H]1CCC[C@@H](Oc2cc3c(cc2[O-])oc2cccc(=O)c-2c3[O-])C1	ZINC001227309398	1032366522	/nfs/dbraw/zinc/36/65/22/1032366522.db2.gz	KTMZTEJJEIWKRV-QWHCGFSZSA-N	-2	3	398.411	3.858	20	5		GHBDHL
CC(C)[C@H]1CC[C@@H](C)C[C@]12OC[C@H](COc1cc([O-])cc([O-])c1[N+](=O)[O-])O2	ZINC001228970601	1033208066	/nfs/dbraw/zinc/20/80/66/1033208066.db2.gz	IRAWMKNQDRBIHB-NMLBAAHISA-N	-2	3	381.425	3.589	20	5		GHBDHL
O=c1ccc(O)c2oc3cc([O-])cc(O[C@@H]4COCc5ccccc54)c3c([O-])c1-2	ZINC001234125258	1039867314	/nfs/dbraw/zinc/86/73/14/1039867314.db2.gz	PWYWZRMTLNRXRF-GOSISDBHSA-N	-2	3	392.363	3.713	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@H](C)Cc4ccco4)cc([O-])cc3oc21	ZINC001234750418	1040278062	/nfs/dbraw/zinc/27/80/62/1040278062.db2.gz	APTKURSNESQLSI-LLVKDONJSA-N	-2	3	382.368	3.969	20	5		GHBDHL
CC[C@H](C)OC(=O)N1CCCC[C@H]1CCOc1cc([O-])cc([O-])c1[N+](=O)[O-]	ZINC001228972508	1033210054	/nfs/dbraw/zinc/21/00/54/1033210054.db2.gz	XCOLWSWDMLQHTR-STQMWFEESA-N	-2	3	382.413	3.565	20	5		GHBDHL
C[C@H](COc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12)Oc1ccccc1	ZINC001234123675	1039863783	/nfs/dbraw/zinc/86/37/83/1039863783.db2.gz	GNCHXTKRJCIINK-GFCCVEGCSA-N	-2	3	394.379	3.909	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(OCCOC4CCCC4)cc([O-])cc3oc21	ZINC001234752519	1040279388	/nfs/dbraw/zinc/27/93/88/1040279388.db2.gz	YHRMQTRIDJPFHE-UHFFFAOYSA-N	-2	3	386.400	3.704	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@@H]4CCOC(C)(C)C4)cc([O-])cc3oc21	ZINC001234752528	1040282218	/nfs/dbraw/zinc/28/22/18/1040282218.db2.gz	YOKYNTKYYZZJRL-GFCCVEGCSA-N	-2	3	386.400	3.702	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@H](C)c4cnn(C)c4C)cc3c(=O)c12	ZINC001234798619	1040328244	/nfs/dbraw/zinc/32/82/44/1040328244.db2.gz	IPEBQZUMRGTGDX-LLVKDONJSA-N	-2	3	396.399	3.548	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@H]4CCCC[C@@H]4OC)cc3c(=O)c12	ZINC001234798256	1040328802	/nfs/dbraw/zinc/32/88/02/1040328802.db2.gz	ZLHNPNXSFJTHDI-GJZGRUSLSA-N	-2	3	386.400	3.702	20	5		GHBDHL
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc([O-])c2F)c1Cl	ZINC000821192107	897754384	/nfs/dbraw/zinc/75/43/84/897754384.db2.gz	SBUSNHBUJHYGCC-UHFFFAOYSA-N	-2	3	381.168	3.547	20	5		GHBDHL
CC(C)CCOC(=O)[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1ccccc1	ZINC001228972562	1033209572	/nfs/dbraw/zinc/20/95/72/1033209572.db2.gz	YSQKQZOJVZCPIX-SFHVURJKSA-N	-2	3	375.377	3.715	20	5		GHBDHL
CC(C)Oc1ncc(Br)cc1COc1cc([O-])cc([O-])c1[N+](=O)[O-]	ZINC001228975031	1033214273	/nfs/dbraw/zinc/21/42/73/1033214273.db2.gz	XJTGESBXSQWTJF-UHFFFAOYSA-N	-2	3	399.197	3.530	20	5		GHBDHL
C[C@@H](Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12)c1ncccc1F	ZINC001234125427	1039870854	/nfs/dbraw/zinc/87/08/54/1039870854.db2.gz	QWCOQBQJHNCFTQ-SECBINFHSA-N	-2	3	383.331	3.737	20	5		GHBDHL
CC(C)=CCc1c([O-])cc(O[C@@H](C)CON)c2c1oc1c([O-])cccc1c2=O	ZINC001234742328	1040269010	/nfs/dbraw/zinc/26/90/10/1040269010.db2.gz	XDVFUYJATUWQTB-LBPRGKRZSA-N	-2	3	385.416	3.524	20	5		GHBDHL
O=c1cc(O)cc2oc3c(ccc([O-])c3O[C@H](c3cccnc3)C3CC3)c([O-])c1-2	ZINC001234750201	1040276775	/nfs/dbraw/zinc/27/67/75/1040276775.db2.gz	HLDXGSMJGGZLAK-FQEVSTJZSA-N	-2	3	391.379	3.988	20	5		GHBDHL
O=c1cc(O)cc2oc3c(ccc([O-])c3O[C@H]3CCOc4ccccc43)c([O-])c1-2	ZINC001234750740	1040278478	/nfs/dbraw/zinc/27/84/78/1040278478.db2.gz	NXQJTVQIMYOAQE-KRWDZBQOSA-N	-2	3	392.363	3.966	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@H]4CC=C(OC)CC4)cc3c(=O)c12	ZINC001234795495	1040326783	/nfs/dbraw/zinc/32/67/83/1040326783.db2.gz	FPLAIEYSEQGAFS-ZDUSSCGKSA-N	-2	3	384.384	3.828	20	5		GHBDHL
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1cc([O-])cc(F)c1	ZINC000131387599	860481283	/nfs/dbraw/zinc/48/12/83/860481283.db2.gz	WBZBPBMXOSVKFO-UHFFFAOYSA-N	-2	3	381.168	3.547	20	5		GHBDHL
CCSCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1	ZINC000499274270	881884275	/nfs/dbraw/zinc/88/42/75/881884275.db2.gz	QIYWMEIXKDSQBS-UHFFFAOYSA-N	-2	3	382.463	3.663	20	5		GHBDHL
CC[C@@H](C)OC(=O)N1CCCC[C@H]1CCOc1cc([O-])cc([O-])c1[N+](=O)[O-]	ZINC001228972506	1033209697	/nfs/dbraw/zinc/20/96/97/1033209697.db2.gz	XCOLWSWDMLQHTR-OLZOCXBDSA-N	-2	3	382.413	3.565	20	5		GHBDHL
O=c1c2cccc([O-])c2oc2cc([O-])cc(OC[C@@H]3COc4ccccc4O3)c12	ZINC001234748617	1040274239	/nfs/dbraw/zinc/27/42/39/1040274239.db2.gz	UIONNDZELHZXGJ-ZDUSSCGKSA-N	-2	3	392.363	3.576	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@H]4CCC(=O)CC4(C)C)cc([O-])cc3oc21	ZINC001234748826	1040275491	/nfs/dbraw/zinc/27/54/91/1040275491.db2.gz	LSIRDSGHGWCIEN-KRWDZBQOSA-N	-2	3	398.411	3.893	20	5		GHBDHL
O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000513611149	845723718	/nfs/dbraw/zinc/72/37/18/845723718.db2.gz	FFJCICBCJFANNI-UHFFFAOYSA-N	-2	3	390.808	3.648	20	5		GHBDHL
CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc(Br)c1[O-]	ZINC000436887880	852460557	/nfs/dbraw/zinc/46/05/57/852460557.db2.gz	LRMRWIDMDJUZRM-UHFFFAOYSA-N	-2	3	395.169	3.507	20	5		GHBDHL
C[C@@H](CC(=O)OC(C)(C)C)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-]	ZINC001227307716	1032365694	/nfs/dbraw/zinc/36/56/94/1032365694.db2.gz	YVXLKBBVXFTILI-NSHDSACASA-N	-2	3	386.400	3.857	20	5		GHBDHL
CCN1CC(Oc2cc([O-])c(CC=C(C)C)c3oc4c([O-])cccc4c(=O)c23)C1	ZINC001234740447	1040265236	/nfs/dbraw/zinc/26/52/36/1040265236.db2.gz	LCEJXZHXHATUTI-UHFFFAOYSA-N	-2	3	395.455	3.949	20	5		GHBDHL
O=c1c2cccc([O-])c2oc2cc([O-])cc(OC[C@H]3CC[C@@]4(CCCCO4)O3)c21	ZINC001234741666	1040268600	/nfs/dbraw/zinc/26/86/00/1040268600.db2.gz	KQDIVSJWGPIOOO-JLCFBVMHSA-N	-2	3	398.411	3.812	20	5		GHBDHL
CC(=O)[C@H](Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21)c1ccccc1	ZINC001234749888	1040277580	/nfs/dbraw/zinc/27/75/80/1040277580.db2.gz	GARLCNUZLILTOP-FQEVSTJZSA-N	-2	3	392.363	3.772	20	5		GHBDHL
O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000511519954	839124669	/nfs/dbraw/zinc/12/46/69/839124669.db2.gz	ADFPGXSSGWPBPC-UHFFFAOYSA-N	-2	3	376.781	3.725	20	5		GHBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)ccc1[O-]	ZINC000131928977	861829253	/nfs/dbraw/zinc/82/92/53/861829253.db2.gz	MCZFZLJVEDCKTD-UHFFFAOYSA-N	-2	3	390.339	3.596	20	5		GHBDHL
Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000156910593	861010027	/nfs/dbraw/zinc/01/00/27/861010027.db2.gz	JPGDVKZRGMMNJX-UHFFFAOYSA-N	-2	3	399.428	3.780	20	5		GHBDHL
CN(c1ccccc1)c1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1[N+](=O)[O-]	ZINC000619864663	873110299	/nfs/dbraw/zinc/11/02/99/873110299.db2.gz	SADVKWDIPYJQGH-NTMALXAHSA-N	-2	3	392.371	3.727	20	5		GHBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)c(Cl)cc1Cl	ZINC000821191546	897754705	/nfs/dbraw/zinc/75/47/05/897754705.db2.gz	OMBKLYULNICCPF-UHFFFAOYSA-N	-2	3	381.168	3.547	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@@H](C)CC(C)(C)OC)cc([O-])cc3oc21	ZINC001234750447	1040277471	/nfs/dbraw/zinc/27/74/71/1040277471.db2.gz	BHRCSGRTZJQUOM-NSHDSACASA-N	-2	3	388.416	3.948	20	5		GHBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)ccc1[O-]	ZINC000069104833	859341813	/nfs/dbraw/zinc/34/18/13/859341813.db2.gz	BJRBJHJKPPEIAZ-UHFFFAOYSA-N	-2	3	382.397	3.672	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@H](C)CC(C)(C)OC)cc3c(=O)c12	ZINC001234795562	1040326557	/nfs/dbraw/zinc/32/65/57/1040326557.db2.gz	GMUAJCLMVNHMBP-LLVKDONJSA-N	-2	3	388.416	3.948	20	5		GHBDHL
COC(=O)C[C@@H]1CCC[C@@H](Oc2cc3c(cc2[O-])oc2cccc(=O)c-2c3[O-])C1	ZINC001227309388	1032366719	/nfs/dbraw/zinc/36/67/19/1032366719.db2.gz	KTMZTEJJEIWKRV-CHWSQXEVSA-N	-2	3	398.411	3.858	20	5		GHBDHL
C[C@@H](COc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12)Oc1ccccc1	ZINC001234123684	1039864677	/nfs/dbraw/zinc/86/46/77/1039864677.db2.gz	GNCHXTKRJCIINK-LBPRGKRZSA-N	-2	3	394.379	3.909	20	5		GHBDHL
O=c1ccc(O)c2oc3cc([O-])cc(O[C@H]4CCc5cccnc54)c3c([O-])c1-2	ZINC001234124809	1039867463	/nfs/dbraw/zinc/86/74/63/1039867463.db2.gz	LLAMSXVTBVSLJQ-AWEZNQCLSA-N	-2	3	377.352	3.524	20	5		GHBDHL
O=c1c2cccc([O-])c2oc2cc([O-])cc(OC[C@@H]3CC[C@]4(CCCCO4)O3)c21	ZINC001234741665	1040269223	/nfs/dbraw/zinc/26/92/23/1040269223.db2.gz	KQDIVSJWGPIOOO-FPTDNZKUSA-N	-2	3	398.411	3.812	20	5		GHBDHL
C[C@H](Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21)c1cccnc1F	ZINC001234751523	1040280713	/nfs/dbraw/zinc/28/07/13/1040280713.db2.gz	WLSPDHWKCLMEPV-VIFPVBQESA-N	-2	3	383.331	3.737	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@@H]4CC=C(OC)CC4)cc3c(=O)c12	ZINC001234795492	1040326686	/nfs/dbraw/zinc/32/66/86/1040326686.db2.gz	FPLAIEYSEQGAFS-CYBMUJFWSA-N	-2	3	384.384	3.828	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@@H](C)c4ccncc4)cc3c(=O)c12	ZINC001234798191	1040327434	/nfs/dbraw/zinc/32/74/34/1040327434.db2.gz	GMHUEAWXXVQVQH-NSHDSACASA-N	-2	3	379.368	3.901	20	5		GHBDHL
C[C@H](Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12)c1cccnc1F	ZINC001234125452	1039868728	/nfs/dbraw/zinc/86/87/28/1039868728.db2.gz	REPSEIMKFZUQBZ-VIFPVBQESA-N	-2	3	383.331	3.737	20	5		GHBDHL
CC(C)=CCc1cc2c([O-])c3c(=O)ccc(O)c-3oc2c(OC2CC(=O)C2)c1[O-]	ZINC001234330934	1039971986	/nfs/dbraw/zinc/97/19/86/1039971986.db2.gz	LEGUUDJYEMCZSX-UHFFFAOYSA-N	-2	3	396.395	3.682	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@H](C)c4cnn(C)c4C)cc([O-])cc3oc21	ZINC001234748378	1040274072	/nfs/dbraw/zinc/27/40/72/1040274072.db2.gz	HKRMKUBVCWFPGR-LLVKDONJSA-N	-2	3	396.399	3.548	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@H]4CCCC[C@@H]4OC)cc([O-])cc3oc21	ZINC001234751819	1040280452	/nfs/dbraw/zinc/28/04/52/1040280452.db2.gz	QNGZBIDUVLROBM-GJZGRUSLSA-N	-2	3	386.400	3.702	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@@H]4CCC(F)(F)C4)cc3c(=O)c12	ZINC001234795993	1040326490	/nfs/dbraw/zinc/32/64/90/1040326490.db2.gz	JNVGVDYWMQLDNW-SNVBAGLBSA-N	-2	3	378.327	3.933	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@@H](C)c4cccnc4)cc3c(=O)c12	ZINC001234800158	1040329971	/nfs/dbraw/zinc/32/99/71/1040329971.db2.gz	ZLZFGSUSXBIIOT-NSHDSACASA-N	-2	3	379.368	3.901	20	5		GHBDHL
Cc1nc(C=Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[n-]c(=O)c1CC(=O)[O-]	ZINC000811692092	889899850	/nfs/dbraw/zinc/89/98/50/889899850.db2.gz	XIUINUMGVZUXJX-NSCUHMNNSA-N	-2	3	384.175	3.503	20	5		GHBDHL
CC(C)=CCc1c([O-])cc(OC(=O)C[C@@H](C)O)c2c(=O)c3cccc([O-])c3oc12	ZINC001234742424	1040268900	/nfs/dbraw/zinc/26/89/00/1040268900.db2.gz	YFXSWSFXBBVYFV-GFCCVEGCSA-N	-2	3	398.411	3.542	20	5		GHBDHL
O=c1c2cccc([O-])c2oc2cc([O-])cc(OC[C@@H]3COc4cscc4O3)c12	ZINC001234742935	1040269673	/nfs/dbraw/zinc/26/96/73/1040269673.db2.gz	VYFHHLAANYFEFM-LLVKDONJSA-N	-2	3	398.392	3.638	20	5		GHBDHL
C[C@H](Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21)c1ncccc1F	ZINC001234749542	1040274189	/nfs/dbraw/zinc/27/41/89/1040274189.db2.gz	AMOBFNCJEYGSEP-VIFPVBQESA-N	-2	3	383.331	3.737	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@@H](C)c4cnn(C)c4C)cc([O-])cc3oc21	ZINC001234748379	1040274739	/nfs/dbraw/zinc/27/47/39/1040274739.db2.gz	HKRMKUBVCWFPGR-NSHDSACASA-N	-2	3	396.399	3.548	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(OC4Cc5ccccc5C4)cc3c(=O)c12	ZINC001234800102	1040330783	/nfs/dbraw/zinc/33/07/83/1040330783.db2.gz	XYFJKAXJONMWDE-UHFFFAOYSA-N	-2	3	390.391	3.912	20	5		GHBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(Cl)sc2c1	ZINC000821097661	897741209	/nfs/dbraw/zinc/74/12/09/897741209.db2.gz	VGNAIULGPHVMQY-UHFFFAOYSA-N	-2	3	399.837	3.673	20	5		GHBDHL
CC(C)=CCc1c([O-])cc(OC[C@H]2COCO2)c2c(=O)c3cccc([O-])c3oc12	ZINC001234740184	1040264974	/nfs/dbraw/zinc/26/49/74/1040264974.db2.gz	GLMBRVFSBDSQLV-CYBMUJFWSA-N	-2	3	398.411	3.618	20	5		GHBDHL
C[C@@H]1c2cnccc2C[C@@H]1Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12	ZINC001234741152	1040268247	/nfs/dbraw/zinc/26/82/47/1040268247.db2.gz	DLMNCTSEBDVFLB-DIFFPNOSSA-N	-2	3	375.380	3.860	20	5		GHBDHL
C[C@@H](Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21)c1ccncc1F	ZINC001234750689	1040276943	/nfs/dbraw/zinc/27/69/43/1040276943.db2.gz	MXWGIXIPDWZOCG-SECBINFHSA-N	-2	3	383.331	3.737	20	5		GHBDHL
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1OC(C)C	ZINC000447264413	838586223	/nfs/dbraw/zinc/58/62/23/838586223.db2.gz	MSVGSHREFULVOZ-UHFFFAOYSA-N	-2	3	380.422	3.505	20	5		GHBDHL
COc1cc(Br)c([O-])c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1	ZINC001174504753	907080270	/nfs/dbraw/zinc/08/02/70/907080270.db2.gz	IDNFHXXPFDDGTG-UHFFFAOYSA-N	-2	3	383.154	3.513	20	5		GHBDHL
CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000467077481	928668387	/nfs/dbraw/zinc/66/83/87/928668387.db2.gz	BRJXHRZGZGZDRF-UHFFFAOYSA-N	-2	3	380.422	3.526	20	5		GHBDHL
CCOC(=O)[C@H]1CCC[C@H](Oc2cc3c(cc2[O-])oc2cccc(=O)c-2c3[O-])C1	ZINC001227310580	1032368762	/nfs/dbraw/zinc/36/87/62/1032368762.db2.gz	VQGHBWCPCNEXFE-STQMWFEESA-N	-2	3	398.411	3.858	20	5		GHBDHL
O=c1cccc2oc3cc([O-])c(OC[C@@H]4CC[C@@]5(CCCCO5)O4)cc3c([O-])c1-2	ZINC001227309164	1032367237	/nfs/dbraw/zinc/36/72/37/1032367237.db2.gz	IDBRLEKCMCCYMJ-WHEQGISXSA-N	-2	3	398.411	3.812	20	5		GHBDHL
O=C(OCc1ccccc1)[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1ccccc1	ZINC001228972585	1033209949	/nfs/dbraw/zinc/20/99/49/1033209949.db2.gz	ZKOPCNLHLJFDTM-FQEVSTJZSA-N	-2	3	395.367	3.870	20	5		GHBDHL
CC(C)(C)OC(=O)N1CC2(C1)CCC(Oc1cc([O-])cc([O-])c1[N+](=O)[O-])CC2	ZINC001228972222	1033210189	/nfs/dbraw/zinc/21/01/89/1033210189.db2.gz	UYTUQEDDEKVWHY-UHFFFAOYSA-N	-2	3	394.424	3.565	20	5		GHBDHL
CC(C)=CCc1c([O-])cc(O[C@H]2CCOC2=O)c2c(=O)c3cccc([O-])c3oc12	ZINC001234741899	1040268547	/nfs/dbraw/zinc/26/85/47/1040268547.db2.gz	SYEGKYUARHJSGS-INIZCTEOSA-N	-2	3	396.395	3.560	20	5		GHBDHL
CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@H]2Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1	ZINC001228968986	1033206944	/nfs/dbraw/zinc/20/69/44/1033206944.db2.gz	VWQQLIXMWSVEHZ-KXBFYZLASA-N	-2	3	394.424	3.565	20	5		GHBDHL
CC(C)CCOC(=O)[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1ccccc1	ZINC001228972561	1033209912	/nfs/dbraw/zinc/20/99/12/1033209912.db2.gz	YSQKQZOJVZCPIX-GOSISDBHSA-N	-2	3	375.377	3.715	20	5		GHBDHL
COC(=O)C[C@H]1CCC[C@H](Oc2cc([O-])cc3oc4c([O-])cccc4c(=O)c23)C1	ZINC001234741797	1040267558	/nfs/dbraw/zinc/26/75/58/1040267558.db2.gz	MFCQKUVPJNZPTB-JSGCOSHPSA-N	-2	3	398.411	3.858	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@@H](C)CC(C)(C)OC)cc3c(=O)c12	ZINC001234795565	1040326878	/nfs/dbraw/zinc/32/68/78/1040326878.db2.gz	GMUAJCLMVNHMBP-NSHDSACASA-N	-2	3	388.416	3.948	20	5		GHBDHL
CC1(C)CCc2c(c([O-])cc3oc4cc([O-])cc(OC[C@@H]5CCO5)c4c(=O)c32)O1	ZINC001234799160	1040330299	/nfs/dbraw/zinc/33/02/99/1040330299.db2.gz	NJSAZXYIIGQXGT-LBPRGKRZSA-N	-2	3	398.411	3.629	20	5		GHBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C(F)(F)F)c1	ZINC000508256087	857125590	/nfs/dbraw/zinc/12/55/90/857125590.db2.gz	VJPMLEBIUCLVFS-UHFFFAOYSA-N	-2	3	394.302	3.568	20	5		GHBDHL
CC[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1cc(OC)c(OC)c(OC)c1	ZINC001228975310	1033214021	/nfs/dbraw/zinc/21/40/21/1033214021.db2.gz	ZGXOFAOVSNHOJU-ZDUSSCGKSA-N	-2	3	379.365	3.562	20	5		GHBDHL
CC(C)=CCc1cc2c([O-])c3c(=O)ccc(O)c-3oc2c(OC[C@@H]2CCO2)c1[O-]	ZINC001234332451	1039971816	/nfs/dbraw/zinc/97/18/16/1039971816.db2.gz	VTYBDMWSMYJGKV-ZDUSSCGKSA-N	-2	3	398.411	3.739	20	5		GHBDHL
COC(=O)CC1CCC(Oc2cc([O-])cc3oc4c([O-])cccc4c(=O)c23)CC1	ZINC001234740941	1040265597	/nfs/dbraw/zinc/26/55/97/1040265597.db2.gz	CFSLWSGUTMKPLI-UHFFFAOYSA-N	-2	3	398.411	3.858	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@H](C)c4nccs4)cc([O-])cc3oc21	ZINC001234752153	1040278981	/nfs/dbraw/zinc/27/89/81/1040278981.db2.gz	VHMFDJUUFMIDNG-SECBINFHSA-N	-2	3	385.397	3.963	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@H]4CCOC(C)(C)C4)cc3c(=O)c12	ZINC001234798757	1040329689	/nfs/dbraw/zinc/32/96/89/1040329689.db2.gz	FGRZAEGAURGZGI-LBPRGKRZSA-N	-2	3	386.400	3.702	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@H](C)C4CCOCC4)cc3c(=O)c12	ZINC001234799405	1040330021	/nfs/dbraw/zinc/33/00/21/1040330021.db2.gz	PDBQLTWOLVERAX-LLVKDONJSA-N	-2	3	386.400	3.560	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@@H](C)C4CCOCC4)cc3c(=O)c12	ZINC001234799406	1040330532	/nfs/dbraw/zinc/33/05/32/1040330532.db2.gz	PDBQLTWOLVERAX-NSHDSACASA-N	-2	3	386.400	3.560	20	5		GHBDHL
Cc1cn2c(n1)[C@H](Oc1cc([O-])cc3oc4c([O-])cccc4c(=O)c13)CCC2	ZINC001234743055	1040269974	/nfs/dbraw/zinc/26/99/74/1040269974.db2.gz	WUBBJGFESCBSGL-OAHLLOKOSA-N	-2	3	378.384	3.776	20	5		GHBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@@H](C)Cc4ccco4)cc([O-])cc3oc21	ZINC001234750419	1040277305	/nfs/dbraw/zinc/27/73/05/1040277305.db2.gz	APTKURSNESQLSI-NSHDSACASA-N	-2	3	382.368	3.969	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@H]4CCC(F)(F)C4)cc3c(=O)c12	ZINC001234795991	1040326393	/nfs/dbraw/zinc/32/63/93/1040326393.db2.gz	JNVGVDYWMQLDNW-JTQLQIEISA-N	-2	3	378.327	3.933	20	5		GHBDHL
Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000499265879	881813908	/nfs/dbraw/zinc/81/39/08/881813908.db2.gz	QOHNDNXPVIJSFW-UHFFFAOYSA-N	-2	3	390.339	3.737	20	5		GHBDHL
O=c1ccc(O)c2oc3cc([O-])cc(O[C@@H]4CCc5ccccc5C4)c3c([O-])c1-2	ZINC001234123622	1039864893	/nfs/dbraw/zinc/86/48/93/1039864893.db2.gz	FAKFNSBWQFZJBL-OAHLLOKOSA-N	-2	3	390.391	3.999	20	5		GHBDHL
O=c1cc(O)cc2oc3c(ccc([O-])c3O[C@@H]3COCc4ccccc43)c([O-])c1-2	ZINC001234751634	1040280500	/nfs/dbraw/zinc/28/05/00/1040280500.db2.gz	ZQSCAGIGAFMOFE-GOSISDBHSA-N	-2	3	392.363	3.713	20	5		GHBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@H](C)c4nccs4)cc3c(=O)c12	ZINC001234796688	1040327676	/nfs/dbraw/zinc/32/76/76/1040327676.db2.gz	PCSUQYSZZUIRJM-SECBINFHSA-N	-2	3	385.397	3.963	20	5		GHBDHL
O=[N+]([O-])c1ccc(F)c(Nc2c([O-])cc(S(=O)(=O)[O-])c3ccccc32)c1F	ZINC001215295164	1029136503	/nfs/dbraw/zinc/13/65/03/1029136503.db2.gz	SUJYRFACPUUADX-UHFFFAOYSA-N	-2	3	396.327	3.722	20	5		GHBDHL
CCOC(=O)[C@@H]1CCC[C@@H](Oc2cc([O-])cc3oc4c([O-])cccc4c(=O)c23)C1	ZINC001234742166	1040267739	/nfs/dbraw/zinc/26/77/39/1040267739.db2.gz	NAMUMDVFAKRKSG-TZMCWYRMSA-N	-2	3	398.411	3.858	20	5		GHBDHL
O=c1c2cccc([O-])c2oc2cc([O-])cc(OC[C@H]3COc4cscc4O3)c12	ZINC001234743016	1040270622	/nfs/dbraw/zinc/27/06/22/1040270622.db2.gz	VYFHHLAANYFEFM-NSHDSACASA-N	-2	3	398.392	3.638	20	5		GHBDHL
CCCC(=O)[C@@H](CCC)Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21	ZINC001234750286	1040277198	/nfs/dbraw/zinc/27/71/98/1040277198.db2.gz	JMGPMPAPMIRTMX-MRXNPFEDSA-N	-2	3	386.400	3.980	20	5		GHBDHL
CO[C@@H](COc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21)c1ccccc1	ZINC001234749944	1040277825	/nfs/dbraw/zinc/27/78/25/1040277825.db2.gz	GSDAZIIEHBJUNU-SFHVURJKSA-N	-2	3	394.379	3.830	20	5		GHBDHL