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([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1	ZINC000326496427	971297831	/nfs/dbraw/zinc/29/78/31/971297831.db2.gz	OFYVUABFPVZUAR-UHFFFAOYSA-N	-2	3	393.751	3.146	20	10		GGCDHL
O=C([O-])c1ccc(Br)c(NC(=O)NCc2c([O-])cccc2F)c1	ZINC001605793525	972508939	/nfs/dbraw/zinc/50/89/39/972508939.db2.gz	RPCYERJNWNNTLQ-UHFFFAOYSA-N	-2	3	383.173	3.314	20	10		GGCDHL
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(COC(C)C)c1	ZINC000292071529	962906595	/nfs/dbraw/zinc/90/65/95/962906595.db2.gz	LEIKFTAEFORMMG-UHFFFAOYSA-N	-2	3	397.424	3.264	20	10		GGCDHL
CC(C)OCc1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)ccc1O	ZINC001591730853	975700129	/nfs/dbraw/zinc/70/01/29/975700129.db2.gz	GKJHHWIBIYYPPY-BJMVGYQFSA-N	-2	3	391.445	3.216	20	10		GGCDHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)c(Cl)cc1Cl	ZINC000758169049	978704631	/nfs/dbraw/zinc/70/46/31/978704631.db2.gz	LDVIHRQAVWORCM-UHFFFAOYSA-N	-2	3	380.180	3.337	20	10		GGCDHL
CC(=O)c1cc(Cl)cc(CN2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)c1[O-]	ZINC001589267601	985948129	/nfs/dbraw/zinc/94/81/29/985948129.db2.gz	FTKYEFOPKFYLPY-WDEREUQCSA-N	-2	3	379.762	3.333	20	10		GGCDHL
COC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000095997432	564900360	/nfs/dbraw/zinc/90/03/60/564900360.db2.gz	RDUGKLRSOSJITE-UHFFFAOYSA-N	-2	3	376.217	3.286	20	10		GGCDHL
O=C1CCCc2cc(S(=O)(=O)[N-]c3cc(Cl)c([O-])cc3F)ccc2N1	ZINC000377142054	565467541	/nfs/dbraw/zinc/46/75/41/565467541.db2.gz	PRMOPMDKFCSKCQ-UHFFFAOYSA-N	-2	3	384.816	3.260	20	10		GGCDHL
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cccc(Br)c1[O-]	ZINC000277406596	565494955	/nfs/dbraw/zinc/49/49/55/565494955.db2.gz	BTQROWLGVLXXDH-UHFFFAOYSA-N	-2	3	394.269	3.186	20	10		GGCDHL
CCN(Cc1nc(=O)c2sccc2[n-]1)Cc1cc(Br)ccc1[O-]	ZINC000173992693	565605470	/nfs/dbraw/zinc/60/54/70/565605470.db2.gz	RACRNSAEWLDFMP-UHFFFAOYSA-N	-2	3	394.294	3.475	20	10		GGCDHL
O=C([O-])CCCN1C(=O)/C(=C\c2cc([O-])cc(C(F)(F)F)c2)SC1=S	ZINC000290513894	566176167	/nfs/dbraw/zinc/17/61/67/566176167.db2.gz	JVHVTNXCMVXGFJ-IZZDOVSWSA-N	-2	3	391.392	3.477	20	10		GGCDHL
Cc1ccc(-c2noc(CN(CC(=O)[O-])Cc3cc(Cl)ccc3[O-])n2)cc1	ZINC000738494580	600144140	/nfs/dbraw/zinc/14/41/40/600144140.db2.gz	PCFXRHGOIRZYOX-UHFFFAOYSA-N	-2	3	387.823	3.491	20	10		GGCDHL
CCc1ccc(NC(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1	ZINC000737267196	600144295	/nfs/dbraw/zinc/14/42/95/600144295.db2.gz	UWHHTDULKFLNSJ-UHFFFAOYSA-N	-2	3	376.840	3.133	20	10		GGCDHL
CCc1cccc(C)c1NC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000737266480	600144306	/nfs/dbraw/zinc/14/43/06/600144306.db2.gz	DFGHYIHWMZFTSA-UHFFFAOYSA-N	-2	3	390.867	3.442	20	10		GGCDHL
O=C([O-])CN(Cc1ccn(-c2ccc(F)cc2)n1)Cc1cc(Cl)ccc1[O-]	ZINC000833249696	601007133	/nfs/dbraw/zinc/00/71/33/601007133.db2.gz	WLZMBAHVACDNEJ-UHFFFAOYSA-N	-2	3	389.814	3.457	20	10		GGCDHL
CCS[C@@H](C)c1noc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])n1	ZINC000830150805	604471903	/nfs/dbraw/zinc/47/19/03/604471903.db2.gz	RNNSAGRBGSFSSC-JTQLQIEISA-N	-2	3	385.873	3.330	20	10		GGCDHL
COc1cc(OC)c(OC)cc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000833728324	604637294	/nfs/dbraw/zinc/63/72/94/604637294.db2.gz	BQPVYUZGYBWZPJ-UHFFFAOYSA-N	-2	3	395.839	3.158	20	10		GGCDHL
COC(=O)c1ccc(F)c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1	ZINC000833715857	605841896	/nfs/dbraw/zinc/84/18/96/605841896.db2.gz	HBHSVFUJVNCLMW-UHFFFAOYSA-N	-2	3	381.787	3.058	20	10		GGCDHL
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1C(C)C	ZINC000788439815	978796759	/nfs/dbraw/zinc/79/67/59/978796759.db2.gz	XYBMFOUUNCPDJQ-UHFFFAOYSA-N	-2	3	379.434	3.332	20	10		GGCDHL
CN(C)c1nc(Cl)c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])s1	ZINC001598353023	991456046	/nfs/dbraw/zinc/45/60/46/991456046.db2.gz	XGZMURDZIMERII-UHFFFAOYSA-N	-2	3	390.292	3.308	20	10		GGCDHL
C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1cc(Br)cc(Br)c1[O-]	ZINC001594167548	998645994	/nfs/dbraw/zinc/64/59/94/998645994.db2.gz	QPPABYNMWSNQEB-XCBNKYQSSA-N	-2	3	393.075	3.212	20	10		GGCDHL
CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)ccc21	ZINC000378473828	565528558	/nfs/dbraw/zinc/52/85/58/565528558.db2.gz	LUHRMSGGEZLBLO-UHFFFAOYSA-N	-2	3	380.853	3.146	20	10		GGCDHL
CCOCCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1	ZINC000288192350	566061858	/nfs/dbraw/zinc/06/18/58/566061858.db2.gz	JZBKDUSGYNKNDD-UHFFFAOYSA-N	-2	3	389.832	3.401	20	10		GGCDHL
CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)cc2C[C@@H]1C	ZINC000182492643	566207554	/nfs/dbraw/zinc/20/75/54/566207554.db2.gz	KAPXBFSRUXKKIL-JTQLQIEISA-N	-2	3	380.853	3.144	20	10		GGCDHL
CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)cc21	ZINC000182491408	566207672	/nfs/dbraw/zinc/20/76/72/566207672.db2.gz	XGFMGOJGLZUJDU-UHFFFAOYSA-N	-2	3	380.853	3.146	20	10		GGCDHL
Cc1ccc(NC(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1C	ZINC000738622594	600143111	/nfs/dbraw/zinc/14/31/11/600143111.db2.gz	XXRQGMDQEJOEFQ-UHFFFAOYSA-N	-2	3	376.840	3.188	20	10		GGCDHL
Cc1ccc(NC(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1F	ZINC000738622589	600144254	/nfs/dbraw/zinc/14/42/54/600144254.db2.gz	XSANBNNBEDKXJA-UHFFFAOYSA-N	-2	3	380.803	3.018	20	10		GGCDHL
O=C([O-])CN(CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1cc(Cl)ccc1[O-]	ZINC000739783661	600144933	/nfs/dbraw/zinc/14/49/33/600144933.db2.gz	HLKKXVIUUICLTI-WMLDXEAASA-N	-2	3	394.899	3.113	20	10		GGCDHL
O=C([O-])CN(Cc1cc(Cl)ccc1[O-])Cc1cc(F)cc2c1OCOC2	ZINC000739793364	600144985	/nfs/dbraw/zinc/14/49/85/600144985.db2.gz	GWFJCPQIGWBBPH-UHFFFAOYSA-N	-2	3	381.787	3.138	20	10		GGCDHL
O=C([O-])CN(CC(=O)Nc1ccc(Cl)cc1)Cc1cc(Cl)ccc1[O-]	ZINC000739783833	600145001	/nfs/dbraw/zinc/14/50/01/600145001.db2.gz	NNTWWYYBASUIIK-UHFFFAOYSA-N	-2	3	383.231	3.224	20	10		GGCDHL
O=C([O-])CN(CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1cc(Cl)ccc1[O-]	ZINC000739783659	600145027	/nfs/dbraw/zinc/14/50/27/600145027.db2.gz	HLKKXVIUUICLTI-PBHICJAKSA-N	-2	3	394.899	3.113	20	10		GGCDHL
O=C([O-])CN(CC(=O)Nc1ccc2c(c1)CCC2)Cc1cc(Cl)ccc1[O-]	ZINC000739783826	600314634	/nfs/dbraw/zinc/31/46/34/600314634.db2.gz	NASXAWFERFKMMV-UHFFFAOYSA-N	-2	3	388.851	3.060	20	10		GGCDHL
Cc1ccc(C)c(NC(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1	ZINC000738574385	600314942	/nfs/dbraw/zinc/31/49/42/600314942.db2.gz	MBETXJCCKYIIJG-UHFFFAOYSA-N	-2	3	376.840	3.188	20	10		GGCDHL
O=C([O-])CN(Cc1nnc(-c2cccc(F)c2)o1)Cc1cc(Cl)ccc1[O-]	ZINC000833248987	601006734	/nfs/dbraw/zinc/00/67/34/601006734.db2.gz	OMJLTQGZFFYEGP-UHFFFAOYSA-N	-2	3	391.786	3.322	20	10		GGCDHL
COC(=O)c1cc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c(C)s1	ZINC000831248726	601633781	/nfs/dbraw/zinc/63/37/81/601633781.db2.gz	QENVNPRHSRFDHZ-UHFFFAOYSA-N	-2	3	383.853	3.289	20	10		GGCDHL
CC(=O)c1cc(F)cc(CN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1[O-]	ZINC000825946850	601898214	/nfs/dbraw/zinc/89/82/14/601898214.db2.gz	SVDBIKKKJZDWNT-MRXNPFEDSA-N	-2	3	385.313	3.409	20	10		GGCDHL
O=C(c1ccccc1[O-])N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000091924079	1410092749	/nfs/dbraw/zinc/09/27/49/1410092749.db2.gz	JWQAKJGAGXDRGS-UHFFFAOYSA-N	-2	3	381.259	3.363	20	10		GGCDHL
CCOc1ccc(-c2nn[n-]n2)cc1NCc1cccc(Br)c1[O-]	ZINC000825631757	1441602150	/nfs/dbraw/zinc/60/21/50/1441602150.db2.gz	FRLOVNRTJZKRDK-UHFFFAOYSA-N	-2	3	390.241	3.346	20	10		GGCDHL
CCOc1ccc(-c2nnn[n-]2)cc1NCc1cccc(Br)c1[O-]	ZINC000825631757	1441602151	/nfs/dbraw/zinc/60/21/51/1441602151.db2.gz	FRLOVNRTJZKRDK-UHFFFAOYSA-N	-2	3	390.241	3.346	20	10		GGCDHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)c1C	ZINC000811705020	978855788	/nfs/dbraw/zinc/85/57/88/978855788.db2.gz	INZHIXMBSJAAQE-UHFFFAOYSA-N	-2	3	393.461	3.433	20	10		GGCDHL
COc1cc(CN(CC(=O)[O-])Cc2c([O-])cc(C)cc2Cl)cc(OC)c1	ZINC001599406182	997307893	/nfs/dbraw/zinc/30/78/93/997307893.db2.gz	WPKDWJSKNXWHQA-UHFFFAOYSA-N	-2	3	379.840	3.458	20	10		GGCDHL
COc1c([O-])c(CN2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)ccc1[N+](=O)[O-]	ZINC001599344079	997970459	/nfs/dbraw/zinc/97/04/59/997970459.db2.gz	AYFDZPOMJGATIQ-GFCCVEGCSA-N	-2	3	393.421	3.109	20	10		GGCDHL
C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1cc(Br)cc(Br)c1[O-]	ZINC001594167546	998646184	/nfs/dbraw/zinc/64/61/84/998646184.db2.gz	QPPABYNMWSNQEB-GMSGAONNSA-N	-2	3	393.075	3.212	20	10		GGCDHL
Cc1ccccc1-c1noc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])n1	ZINC000738756817	600143130	/nfs/dbraw/zinc/14/31/30/600143130.db2.gz	UNSYAFXEPPNMST-UHFFFAOYSA-N	-2	3	387.823	3.491	20	10		GGCDHL
COc1ccc([N+](=O)[O-])cc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000738068296	600144096	/nfs/dbraw/zinc/14/40/96/600144096.db2.gz	GTDHUDBEJIEEFU-UHFFFAOYSA-N	-2	3	380.784	3.049	20	10		GGCDHL
Cc1cccc(NC(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1C	ZINC000738734301	600144181	/nfs/dbraw/zinc/14/41/81/600144181.db2.gz	IHEAAXUKKYGLFH-UHFFFAOYSA-N	-2	3	376.840	3.188	20	10		GGCDHL
Cc1ccc(-c2nnc(CN(CC(=O)[O-])Cc3cc(Cl)ccc3[O-])o2)cc1	ZINC000738490191	600144460	/nfs/dbraw/zinc/14/44/60/600144460.db2.gz	KWUSBFUHZLKSQV-UHFFFAOYSA-N	-2	3	387.823	3.491	20	10		GGCDHL
O=C([O-])CN(CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1cc(Cl)ccc1[O-]	ZINC000739783662	600144841	/nfs/dbraw/zinc/14/48/41/600144841.db2.gz	HLKKXVIUUICLTI-YOEHRIQHSA-N	-2	3	394.899	3.113	20	10		GGCDHL
Cc1ccc(NC(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c(C)c1	ZINC000738621364	600314787	/nfs/dbraw/zinc/31/47/87/600314787.db2.gz	GCZPBAQUCUCKBT-UHFFFAOYSA-N	-2	3	376.840	3.188	20	10		GGCDHL
CSc1ccc(NC(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1	ZINC000738210846	600315137	/nfs/dbraw/zinc/31/51/37/600315137.db2.gz	BRCLSNHDMMTWLA-UHFFFAOYSA-N	-2	3	394.880	3.293	20	10		GGCDHL
O=C([O-])CN(Cc1nccn1Cc1ccccc1)Cc1cc(Cl)ccc1[O-]	ZINC000739794426	600315756	/nfs/dbraw/zinc/31/57/56/600315756.db2.gz	ZYGLFJLLJWOJJU-UHFFFAOYSA-N	-2	3	385.851	3.377	20	10		GGCDHL
O=C([O-])CN(Cc1cn2cc(Cl)ccc2n1)Cc1cc(Cl)ccc1[O-]	ZINC000739799372	600315988	/nfs/dbraw/zinc/31/59/88/600315988.db2.gz	CHXOQZZEFHTDDA-UHFFFAOYSA-N	-2	3	380.231	3.434	20	10		GGCDHL
COC(=O)CN(Cc1cc(C(=O)[O-])sc1C)Cc1cc(Cl)ccc1[O-]	ZINC000831175814	601633752	/nfs/dbraw/zinc/63/37/52/601633752.db2.gz	RIGZUFFQORZFHX-UHFFFAOYSA-N	-2	3	383.853	3.289	20	10		GGCDHL
O=C([O-])c1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)s1	ZINC000833311122	604916366	/nfs/dbraw/zinc/91/63/66/604916366.db2.gz	URSWFCZNXRMDJW-CYBMUJFWSA-N	-2	3	394.880	3.200	20	10		GGCDHL
C[C@@]1(C(=O)[O-])CCN(Cc2cc(Br)cc(Br)c2[O-])C1	ZINC000833553595	605246851	/nfs/dbraw/zinc/24/68/51/605246851.db2.gz	FXDHZVVGHBSDBL-CYBMUJFWSA-N	-2	3	393.075	3.214	20	10		GGCDHL
CCOc1ccc(-c2nnn[n-]2)cc1NCc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000825632696	609477937	/nfs/dbraw/zinc/47/79/37/609477937.db2.gz	ZPQPTOKHZABHBZ-UHFFFAOYSA-N	-2	3	390.787	3.145	20	10		GGCDHL
CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000825632696	609477938	/nfs/dbraw/zinc/47/79/38/609477938.db2.gz	ZPQPTOKHZABHBZ-UHFFFAOYSA-N	-2	3	390.787	3.145	20	10		GGCDHL
COc1ccc(-c2nn[n-]n2)cc1NCc1cc(C)cc(Br)c1[O-]	ZINC000826186468	1426012403	/nfs/dbraw/zinc/01/24/03/1426012403.db2.gz	UEXYGBBFOMCQPC-UHFFFAOYSA-N	-2	3	390.241	3.264	20	10		GGCDHL
COc1ccc(-c2nnn[n-]2)cc1NCc1cc(C)cc(Br)c1[O-]	ZINC000826186468	1426012409	/nfs/dbraw/zinc/01/24/09/1426012409.db2.gz	UEXYGBBFOMCQPC-UHFFFAOYSA-N	-2	3	390.241	3.264	20	10		GGCDHL
CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(F)c1	ZINC000276838345	1435236467	/nfs/dbraw/zinc/23/64/67/1435236467.db2.gz	HZVMNNODHFAJOM-UHFFFAOYSA-N	-2	3	397.424	3.138	20	10		GGCDHL
CC(C)OCc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)ccc1O	ZINC000811703362	978855861	/nfs/dbraw/zinc/85/58/61/978855861.db2.gz	OQTMHEJZUMCBFQ-UHFFFAOYSA-N	-2	3	399.852	3.470	20	10		GGCDHL
CC(C)CO[C@@H](C)c1noc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])n1	ZINC001591391458	992454021	/nfs/dbraw/zinc/45/40/21/992454021.db2.gz	MTCHUZZZMHXMJQ-LBPRGKRZSA-N	-2	3	397.859	3.249	20	10		GGCDHL
COc1ccc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c(OC)c1OC	ZINC001599559059	998153324	/nfs/dbraw/zinc/15/33/24/998153324.db2.gz	QQDRVKCYFBPKCZ-UHFFFAOYSA-N	-2	3	395.839	3.158	20	10		GGCDHL
O=S(=O)([N-]C1CCN(Cc2cccc(Cl)c2[O-])CC1)c1cccs1	ZINC000179647966	565996046	/nfs/dbraw/zinc/99/60/46/565996046.db2.gz	RSEXEEAYVNCXAR-UHFFFAOYSA-N	-2	3	386.926	3.050	20	10		GGCDHL
Cc1cccc(C)c1NC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000738696140	600144133	/nfs/dbraw/zinc/14/41/33/600144133.db2.gz	XVFZOKXSXJCFDJ-UHFFFAOYSA-N	-2	3	376.840	3.188	20	10		GGCDHL
Cc1cc(C)cc(NC(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1	ZINC000738365098	600144335	/nfs/dbraw/zinc/14/43/35/600144335.db2.gz	VYUKDVPANMWSGR-UHFFFAOYSA-N	-2	3	376.840	3.188	20	10		GGCDHL
CCc1ccccc1NC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000737275113	600144492	/nfs/dbraw/zinc/14/44/92/600144492.db2.gz	SSXRISNIBLPJGD-UHFFFAOYSA-N	-2	3	376.840	3.133	20	10		GGCDHL
CC(C)N(C(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-])C1CCCC1	ZINC000736455138	600313747	/nfs/dbraw/zinc/31/37/47/600313747.db2.gz	OZHVDQFUBOFEDN-UHFFFAOYSA-N	-2	3	382.888	3.112	20	10		GGCDHL
O=C([O-])CN(Cc1nc(-c2ccc(F)cc2)no1)Cc1cc(Cl)ccc1[O-]	ZINC000739799588	600316066	/nfs/dbraw/zinc/31/60/66/600316066.db2.gz	ZMFVSFLXAHPZBX-UHFFFAOYSA-N	-2	3	391.786	3.322	20	10		GGCDHL
Cc1oc(S(=O)(=O)[N-]Cc2ccc(N3CCC(C)CC3)cc2)cc1C(=O)[O-]	ZINC000833026784	601221582	/nfs/dbraw/zinc/22/15/82/601221582.db2.gz	KTOUYQGJTLIKKQ-UHFFFAOYSA-N	-2	3	392.477	3.001	20	10		GGCDHL
Cc1ccccc1-c1nc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])no1	ZINC000832974848	602204628	/nfs/dbraw/zinc/20/46/28/602204628.db2.gz	PCXGYDULJYFLDF-UHFFFAOYSA-N	-2	3	387.823	3.491	20	10		GGCDHL
CN(c1nc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cs1)C1CC1	ZINC000830894987	604472793	/nfs/dbraw/zinc/47/27/93/604472793.db2.gz	RBNCHHBKFQBGHR-UHFFFAOYSA-N	-2	3	381.885	3.188	20	10		GGCDHL
C[C@]1(C(=O)[O-])CCN(Cc2cc(Br)cc(Br)c2[O-])C1	ZINC000833553597	605246874	/nfs/dbraw/zinc/24/68/74/605246874.db2.gz	FXDHZVVGHBSDBL-ZDUSSCGKSA-N	-2	3	393.075	3.214	20	10		GGCDHL
Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(C)c1	ZINC000265756872	1434262841	/nfs/dbraw/zinc/26/28/41/1434262841.db2.gz	KWQSPTFDYFLFJY-UHFFFAOYSA-N	-2	3	379.434	3.053	20	10		GGCDHL
O=C([O-])[C@@H]1CCCN(Cc2cc(Br)cc(Br)c2[O-])C1	ZINC000840997584	969221370	/nfs/dbraw/zinc/22/13/70/969221370.db2.gz	OYUNFPAMLBVQKN-MRVPVSSYSA-N	-2	3	393.075	3.214	20	10		GGCDHL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1	ZINC000776432775	978748172	/nfs/dbraw/zinc/74/81/72/978748172.db2.gz	CCMSGCJANAZXLN-UHFFFAOYSA-N	-2	3	377.418	3.213	20	10		GGCDHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c(Cl)cc1F	ZINC000776751900	978775186	/nfs/dbraw/zinc/77/51/86/978775186.db2.gz	XJBVWHGPXCFLIR-UHFFFAOYSA-N	-3	3	380.180	3.337	20	10		GGCDHL
COC(=O)CN(Cc1cc(C(=O)[O-])c(C(C)C)[nH]1)Cc1cc(Cl)ccc1[O-]	ZINC001598862525	996686287	/nfs/dbraw/zinc/68/62/87/996686287.db2.gz	BGCBTSHAYCKKNK-UHFFFAOYSA-N	-2	3	394.855	3.371	20	10		GGCDHL
COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1ccc(C(=O)[O-])cc1F	ZINC001598863333	996693577	/nfs/dbraw/zinc/69/35/77/996693577.db2.gz	ZYERJNIJHZLPQZ-UHFFFAOYSA-N	-2	3	381.787	3.058	20	10		GGCDHL
COc1c([O-])c(CN2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)ccc1[N+](=O)[O-]	ZINC001599344080	997970066	/nfs/dbraw/zinc/97/00/66/997970066.db2.gz	AYFDZPOMJGATIQ-LBPRGKRZSA-N	-2	3	393.421	3.109	20	10		GGCDHL
C[C@H]1[C@H](C(=O)[O-])CCN1Cc1cc(Br)cc(Br)c1[O-]	ZINC001594167547	998645831	/nfs/dbraw/zinc/64/58/31/998645831.db2.gz	QPPABYNMWSNQEB-OIBJUYFYSA-N	-2	3	393.075	3.212	20	10		GGCDHL
O=C([O-])C1CCN(Cc2cc(Br)cc(Br)c2[O-])CC1	ZINC000821511276	598181550	/nfs/dbraw/zinc/18/15/50/598181550.db2.gz	GIGHINWTBJUWOH-UHFFFAOYSA-N	-2	3	393.075	3.214	20	10		GGCDHL
C[C@H](c1ccccc1)N(C)C(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000736718714	600144084	/nfs/dbraw/zinc/14/40/84/600144084.db2.gz	VHVRAMRGVLDSRC-CQSZACIVSA-N	-2	3	390.867	3.152	20	10		GGCDHL
O=C([O-])CN(CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1cc(Cl)ccc1[O-]	ZINC000739783660	600144688	/nfs/dbraw/zinc/14/46/88/600144688.db2.gz	HLKKXVIUUICLTI-RHSMWYFYSA-N	-2	3	394.899	3.113	20	10		GGCDHL
O=C([O-])CN(CC(=O)Nc1cccc(Cl)c1)Cc1cc(Cl)ccc1[O-]	ZINC000739783630	600145074	/nfs/dbraw/zinc/14/50/74/600145074.db2.gz	DUOIOQPKZKLOEH-UHFFFAOYSA-N	-2	3	383.231	3.224	20	10		GGCDHL
O=C([O-])CN(CC(=O)Nc1ccccc1Cl)Cc1cc(Cl)ccc1[O-]	ZINC000739783796	600145169	/nfs/dbraw/zinc/14/51/69/600145169.db2.gz	KLRPTKOXGIZFDU-UHFFFAOYSA-N	-2	3	383.231	3.224	20	10		GGCDHL
O=C([O-])CN(Cc1ccn(-c2cccc(F)c2)n1)Cc1cc(Cl)ccc1[O-]	ZINC000739799392	600315333	/nfs/dbraw/zinc/31/53/33/600315333.db2.gz	DHDKJQGPXQYLQD-UHFFFAOYSA-N	-2	3	389.814	3.457	20	10		GGCDHL
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000268001188	601492573	/nfs/dbraw/zinc/49/25/73/601492573.db2.gz	NLZWRZGHQULBNK-UHFFFAOYSA-N	-2	3	379.434	3.088	20	10		GGCDHL
COc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1C(=O)[O-]	ZINC000268023397	601492762	/nfs/dbraw/zinc/49/27/62/601492762.db2.gz	WNWAWTFJFVICLH-UHFFFAOYSA-N	-2	3	379.434	3.332	20	10		GGCDHL
CC(=O)c1cc(F)cc(CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1[O-]	ZINC000825946849	601898279	/nfs/dbraw/zinc/89/82/79/601898279.db2.gz	SVDBIKKKJZDWNT-INIZCTEOSA-N	-2	3	385.313	3.409	20	10		GGCDHL
O=C([O-])CN(Cc1noc(-c2ccsc2)n1)Cc1cc(Cl)ccc1[O-]	ZINC000833248896	604375466	/nfs/dbraw/zinc/37/54/66/604375466.db2.gz	BLFUWINDIFDPOM-UHFFFAOYSA-N	-2	3	379.825	3.244	20	10		GGCDHL
Cc1cc(C(=O)Nc2cccc([O-])c2F)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826260450	1428443820	/nfs/dbraw/zinc/44/38/20/1428443820.db2.gz	OGVAZRXXVPTVSG-UHFFFAOYSA-N	-2	3	392.394	3.371	20	10		GGCDHL
Cc1cc(C(=O)Nc2cccc([O-])c2F)c(C)n1-c1ccc(-c2nnn[n-]2)cc1	ZINC000826260450	1428443822	/nfs/dbraw/zinc/44/38/22/1428443822.db2.gz	OGVAZRXXVPTVSG-UHFFFAOYSA-N	-2	3	392.394	3.371	20	10		GGCDHL
CC(C)(C)C(=O)N1CCN(Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1	ZINC000102885000	1410803827	/nfs/dbraw/zinc/80/38/27/1410803827.db2.gz	APMRTSYOSNXKNL-UHFFFAOYSA-N	-2	3	396.487	3.019	20	10		GGCDHL
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C	ZINC000822210612	1428870580	/nfs/dbraw/zinc/87/05/80/1428870580.db2.gz	KPYRPVYGLDMHED-UHFFFAOYSA-N	-2	3	387.465	3.113	20	10		GGCDHL
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C	ZINC000822210612	1428870583	/nfs/dbraw/zinc/87/05/83/1428870583.db2.gz	KPYRPVYGLDMHED-UHFFFAOYSA-N	-2	3	387.465	3.113	20	10		GGCDHL
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000268021939	1434487848	/nfs/dbraw/zinc/48/78/48/1434487848.db2.gz	VYLGHDBAOMVUTR-UHFFFAOYSA-N	-2	3	397.424	3.227	20	10		GGCDHL
CC(C)OCc1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)ccc1O	ZINC001591730854	975700065	/nfs/dbraw/zinc/70/00/65/975700065.db2.gz	GKJHHWIBIYYPPY-YHYXMXQVSA-N	-2	3	391.445	3.216	20	10		GGCDHL
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F	ZINC000793441786	978809664	/nfs/dbraw/zinc/80/96/64/978809664.db2.gz	BABIFWNNWWSFDH-UHFFFAOYSA-N	-3	3	377.752	3.131	20	10		GGCDHL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(COC(C)C)c1	ZINC000811704927	978855824	/nfs/dbraw/zinc/85/58/24/978855824.db2.gz	HOUROQWBMJRESV-UHFFFAOYSA-N	-2	3	379.434	3.125	20	10		GGCDHL
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(O)c(COC(C)C)c1	ZINC000811704706	978856074	/nfs/dbraw/zinc/85/60/74/978856074.db2.gz	JGDHBESAXNGNFY-UHFFFAOYSA-N	-2	3	379.434	3.125	20	10		GGCDHL
C[C@@H]1CN(Cc2cc(Br)cc(Br)c2[O-])C[C@H]1C(=O)[O-]	ZINC001599865595	989249175	/nfs/dbraw/zinc/24/91/75/989249175.db2.gz	BPJGQDJGUASHGD-GMSGAONNSA-N	-2	3	393.075	3.070	20	10		GGCDHL
COCOc1ccc(OC)cc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC001599277968	996841360	/nfs/dbraw/zinc/84/13/60/996841360.db2.gz	SRFYZTLNCOSSCC-UHFFFAOYSA-N	-2	3	395.839	3.124	20	10		GGCDHL
COc1cc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c([N+](=O)[O-])cc1F	ZINC001599406220	997308195	/nfs/dbraw/zinc/30/81/95/997308195.db2.gz	ZSHWZZJURVRNEV-UHFFFAOYSA-N	-2	3	398.774	3.188	20	10		GGCDHL
COC(=O)c1cc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])[nH]c1C(C)C	ZINC001598930154	997733893	/nfs/dbraw/zinc/73/38/93/997733893.db2.gz	XWDPREGJUNKCMX-UHFFFAOYSA-N	-2	3	394.855	3.371	20	10		GGCDHL
CC(C)N(C(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-])c1ccccc1	ZINC000736456079	600144244	/nfs/dbraw/zinc/14/42/44/600144244.db2.gz	XNJXJSGJEHLRQU-UHFFFAOYSA-N	-2	3	390.867	3.374	20	10		GGCDHL
O=C([O-])CN(Cc1nc(Cc2ccccc2)no1)Cc1cc(Cl)ccc1[O-]	ZINC000739799576	600145768	/nfs/dbraw/zinc/14/57/68/600145768.db2.gz	WZUNTVXLNDQWJZ-UHFFFAOYSA-N	-2	3	387.823	3.106	20	10		GGCDHL
O=C([O-])CN(Cc1nc(-c2ccsc2)no1)Cc1cc(Cl)ccc1[O-]	ZINC000739799451	600145821	/nfs/dbraw/zinc/14/58/21/600145821.db2.gz	MKTSNOLABRYGNR-UHFFFAOYSA-N	-2	3	379.825	3.244	20	10		GGCDHL
CC(=O)c1cc(F)cc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1[O-]	ZINC000825946657	601151043	/nfs/dbraw/zinc/15/10/43/601151043.db2.gz	JUFWWFQTGJATDF-UHFFFAOYSA-N	-2	3	381.350	3.489	20	10		GGCDHL
CCc1oc(C(=O)[O-])cc1CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-]	ZINC000830363882	601418536	/nfs/dbraw/zinc/41/85/36/601418536.db2.gz	ZMNSUYBRBGOELH-UHFFFAOYSA-N	-2	3	381.812	3.074	20	10		GGCDHL
CC(C)c1nn(C)c(N(C)C)c1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000833512195	604636060	/nfs/dbraw/zinc/63/60/60/604636060.db2.gz	OVJGNIRGHVNGMO-UHFFFAOYSA-N	-2	3	394.903	3.055	20	10		GGCDHL
Cc1cc(C(=O)Nc2ccc(F)cc2[O-])c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000822177053	1426679823	/nfs/dbraw/zinc/67/98/23/1426679823.db2.gz	SCJDLQXZUFNJKQ-UHFFFAOYSA-N	-2	3	392.394	3.371	20	10		GGCDHL
CC(C)OCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)ccc1O	ZINC000811703977	978855890	/nfs/dbraw/zinc/85/58/90/978855890.db2.gz	NLQSGVOZGSKDME-UHFFFAOYSA-N	-2	3	399.852	3.470	20	10		GGCDHL
Cc1cc(C)c(NC(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c(C)c1	ZINC000738359958	600143995	/nfs/dbraw/zinc/14/39/95/600143995.db2.gz	ZENIINBWAQIGAV-UHFFFAOYSA-N	-2	3	390.867	3.496	20	10		GGCDHL
CSc1cccc(NC(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1	ZINC000738215389	600144300	/nfs/dbraw/zinc/14/43/00/600144300.db2.gz	WRFJHNSSBJUREG-UHFFFAOYSA-N	-2	3	394.880	3.293	20	10		GGCDHL
O=C([O-])CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1cc(Cl)ccc1[O-]	ZINC000833249079	601317287	/nfs/dbraw/zinc/31/72/87/601317287.db2.gz	ZRQSDJSWWVSTCB-UHFFFAOYSA-N	-2	3	391.767	3.182	20	10		GGCDHL
CCc1oc(C(=O)OC)cc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000830398427	601418550	/nfs/dbraw/zinc/41/85/50/601418550.db2.gz	MCKFIKHZFHNTIR-UHFFFAOYSA-N	-2	3	381.812	3.074	20	10		GGCDHL
COC(=O)CN(Cc1ccc(C(=O)[O-])c(F)c1)Cc1cc(Cl)ccc1[O-]	ZINC000831174972	601633984	/nfs/dbraw/zinc/63/39/84/601633984.db2.gz	DVCSGQHVFUEPOF-UHFFFAOYSA-N	-2	3	381.787	3.058	20	10		GGCDHL
COc1cc(OC)c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c(OC)c1	ZINC000833728316	604637130	/nfs/dbraw/zinc/63/71/30/604637130.db2.gz	BBFODAIBQWYGDW-UHFFFAOYSA-N	-2	3	395.839	3.158	20	10		GGCDHL
O=C(c1ccc([O-])cc1)N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000091813549	1410083560	/nfs/dbraw/zinc/08/35/60/1410083560.db2.gz	TXIOMQYWVGDFPX-UHFFFAOYSA-N	-2	3	381.259	3.363	20	10		GGCDHL
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(O)c(COC(C)C)c1	ZINC000290478752	962895680	/nfs/dbraw/zinc/89/56/80/962895680.db2.gz	HSJDIFGHBOSSRN-UHFFFAOYSA-N	-2	3	379.434	3.125	20	10		GGCDHL
CC(C)CO[C@H](C)c1noc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])n1	ZINC001591391457	992454069	/nfs/dbraw/zinc/45/40/69/992454069.db2.gz	MTCHUZZZMHXMJQ-GFCCVEGCSA-N	-2	3	397.859	3.249	20	10		GGCDHL
COC(=O)CN(Cc1[nH]cc(C(=O)[O-])c1C1CC1)Cc1cc(Cl)ccc1[O-]	ZINC001598862482	996686401	/nfs/dbraw/zinc/68/64/01/996686401.db2.gz	AJCBEKQFLBBOQY-UHFFFAOYSA-N	-2	3	392.839	3.125	20	10		GGCDHL
COC(=O)c1c[nH]c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1C1CC1	ZINC001598917988	997511022	/nfs/dbraw/zinc/51/10/22/997511022.db2.gz	ZLYHNHRJPIASLH-UHFFFAOYSA-N	-2	3	392.839	3.125	20	10		GGCDHL
COc1cc(F)c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1OC	ZINC001599425048	997658538	/nfs/dbraw/zinc/65/85/38/997658538.db2.gz	CDSXKLSTZFWBMV-UHFFFAOYSA-N	-2	3	383.803	3.289	20	10		GGCDHL
COC(=O)c1ccc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c(F)c1	ZINC001598971841	998530647	/nfs/dbraw/zinc/53/06/47/998530647.db2.gz	JNZGNYFKGXRJOI-UHFFFAOYSA-N	-2	3	381.787	3.058	20	10		GGCDHL
C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1cc(Br)cc(Br)c1[O-]	ZINC001594167549	998645928	/nfs/dbraw/zinc/64/59/28/998645928.db2.gz	QPPABYNMWSNQEB-XVKPBYJWSA-N	-2	3	393.075	3.212	20	10		GGCDHL
Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c(COC(C)C)c2)sc1C(=O)[O-]	ZINC000290517286	566177416	/nfs/dbraw/zinc/17/74/16/566177416.db2.gz	MJKPCBIETDUNIP-UHFFFAOYSA-N	-3	3	385.463	3.186	20	10		GGCDHL
CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)cc2C[C@H]1C	ZINC000182492627	566207600	/nfs/dbraw/zinc/20/76/00/566207600.db2.gz	KAPXBFSRUXKKIL-SNVBAGLBSA-N	-2	3	380.853	3.144	20	10		GGCDHL
O=C([O-])CN(Cc1nc(-c2cccs2)no1)Cc1cc(Cl)ccc1[O-]	ZINC000739799422	600143546	/nfs/dbraw/zinc/14/35/46/600143546.db2.gz	IFMIUJACSUHHNK-UHFFFAOYSA-N	-2	3	379.825	3.244	20	10		GGCDHL
Cc1cccc(-c2noc(CN(CC(=O)[O-])Cc3cc(Cl)ccc3[O-])n2)c1	ZINC000738681043	600144129	/nfs/dbraw/zinc/14/41/29/600144129.db2.gz	OKGICAVXFMSWAR-UHFFFAOYSA-N	-2	3	387.823	3.491	20	10		GGCDHL
C[C@@H](c1ccccc1)N(C)C(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000736718711	600144156	/nfs/dbraw/zinc/14/41/56/600144156.db2.gz	VHVRAMRGVLDSRC-AWEZNQCLSA-N	-2	3	390.867	3.152	20	10		GGCDHL
Cc1ccc(NC(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c(F)c1	ZINC000738622261	600314663	/nfs/dbraw/zinc/31/46/63/600314663.db2.gz	TVHVGVAYUAOTBB-UHFFFAOYSA-N	-2	3	380.803	3.018	20	10		GGCDHL
O=C([O-])CN(Cc1noc(Cc2ccccc2)n1)Cc1cc(Cl)ccc1[O-]	ZINC000739799463	600316031	/nfs/dbraw/zinc/31/60/31/600316031.db2.gz	NCUOGBFIDBVXBJ-UHFFFAOYSA-N	-2	3	387.823	3.106	20	10		GGCDHL
O=C([O-])CN(Cc1ccc(Br)cn1)Cc1cc(Cl)ccc1[O-]	ZINC000739793291	600432222	/nfs/dbraw/zinc/43/22/22/600432222.db2.gz	DUHMWVAHLXKBHU-UHFFFAOYSA-N	-2	3	385.645	3.290	20	10		GGCDHL
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1	ZINC000832898115	601493574	/nfs/dbraw/zinc/49/35/74/601493574.db2.gz	CXTMXPQLAXHARG-UHFFFAOYSA-N	-2	3	393.461	3.478	20	10		GGCDHL
CCS[C@H](C)c1noc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])n1	ZINC000830150806	604472070	/nfs/dbraw/zinc/47/20/70/604472070.db2.gz	RNNSAGRBGSFSSC-SNVBAGLBSA-N	-2	3	385.873	3.330	20	10		GGCDHL
CCN(CC)c1ncc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])s1	ZINC000833654217	604636965	/nfs/dbraw/zinc/63/69/65/604636965.db2.gz	HQERJUTXVHEQQM-UHFFFAOYSA-N	-2	3	383.901	3.435	20	10		GGCDHL
O=C([O-])c1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)s1	ZINC000833311123	604916305	/nfs/dbraw/zinc/91/63/05/604916305.db2.gz	URSWFCZNXRMDJW-ZDUSSCGKSA-N	-2	3	394.880	3.200	20	10		GGCDHL
COc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1CC(=O)[O-]	ZINC000271624342	1434839773	/nfs/dbraw/zinc/83/97/73/1434839773.db2.gz	NNRUDQZPFVUCNH-UHFFFAOYSA-N	-2	3	393.461	3.261	20	10		GGCDHL
Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cc(C(C)C)c(O)cc1C	ZINC000822210485	1449188313	/nfs/dbraw/zinc/18/83/13/1449188313.db2.gz	DTZYKLRNIYDOPL-UHFFFAOYSA-N	-2	3	387.465	3.113	20	10		GGCDHL
Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1cc(C(C)C)c(O)cc1C	ZINC000822210485	1449188318	/nfs/dbraw/zinc/18/83/18/1449188318.db2.gz	DTZYKLRNIYDOPL-UHFFFAOYSA-N	-2	3	387.465	3.113	20	10		GGCDHL