smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](N[C@@H](C)c1cc(Br)ccc1[O-])c1nnc2n1CCCC2	ZINC000185585103	495632631	/nfs/dbraw/zinc/63/26/31/495632631.db2.gz	SKMOEDHAKQBNBY-WDEREUQCSA-N	-1	3	365.275	3.494	10	10		FGCEHM
COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc2ccccc2c1[O-]	ZINC000185775275	495722081	/nfs/dbraw/zinc/72/20/81/495722081.db2.gz	VYGAOECMJFRURK-DYVFJYSZSA-N	-1	3	352.438	3.469	10	10		FGCEHM
Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(Br)cc1[O-]	ZINC000186097239	495854347	/nfs/dbraw/zinc/85/43/47/495854347.db2.gz	UYAYGAKUJVVSJV-NOZJJQNGSA-N	-1	3	351.248	3.240	10	10		FGCEHM
CCCC(=O)N[C@@H]1CCCN(Cc2cccc(Br)c2[O-])C1	ZINC000092708460	700440267	/nfs/dbraw/zinc/44/02/67/700440267.db2.gz	MWBNOUVSDLCQFJ-CYBMUJFWSA-N	-1	3	355.276	3.035	10	10		FGCEHM
O=C(c1cccc(O)c1[O-])N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000185884865	495764979	/nfs/dbraw/zinc/76/49/79/495764979.db2.gz	HNNVCFNHTIDZNP-TZMCWYRMSA-N	-1	3	367.323	3.065	10	10		FGCEHM
COc1cc(Cl)cc(CN2CCO[C@@H](c3nc(C)cs3)C2)c1[O-]	ZINC000184686660	496493292	/nfs/dbraw/zinc/49/32/92/496493292.db2.gz	PYBZZELTJNSRLX-CQSZACIVSA-N	-1	3	354.859	3.393	10	10		FGCEHM
CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(Br)cc1[O-]	ZINC000185683252	495678745	/nfs/dbraw/zinc/67/87/45/495678745.db2.gz	UUKCDZWHQLXNFX-GXFFZTMASA-N	-1	3	365.275	3.494	10	10		FGCEHM
O=C(c1cccc(O)c1[O-])N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000185884822	495764246	/nfs/dbraw/zinc/76/42/46/495764246.db2.gz	HNNVCFNHTIDZNP-GXTWGEPZSA-N	-1	3	367.323	3.065	10	10		FGCEHM
C[C@H](N[C@@H](C)c1ccc(Br)cc1[O-])c1nnc2n1CCCC2	ZINC000185586175	495632586	/nfs/dbraw/zinc/63/25/86/495632586.db2.gz	BHPLXJSLBNHVSS-QWRGUYRKSA-N	-1	3	365.275	3.494	10	10		FGCEHM
Cc1cc(Br)cc([C@@H](C)N[C@H]2CCCn3ncnc32)c1[O-]	ZINC000187286120	496377063	/nfs/dbraw/zinc/37/70/63/496377063.db2.gz	PFXRNLNZDNSBPT-MFKMUULPSA-N	-1	3	351.248	3.240	10	10		FGCEHM
COc1cccc2c1C(=O)c1c([O-])c3ccc([C@H](C)O)cc3c(O)c1C2=O	ZINC000006030351	560204432	/nfs/dbraw/zinc/20/44/32/560204432.db2.gz	GXNBQMKESQAVQC-VIFPVBQESA-N	-1	3	364.353	3.088	10	10	in-vitro	FGCEHM
COc1cccc2c1C(=O)c1c(O)c3ccc([C@H](C)O)cc3c([O-])c1C2=O	ZINC000006030351	560204433	/nfs/dbraw/zinc/20/44/33/560204433.db2.gz	GXNBQMKESQAVQC-VIFPVBQESA-N	-1	3	364.353	3.088	10	10	in-vitro	FGCEHM
COCC(=O)N[C@@H](c1ccccc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000002921305	204067256	/nfs/dbraw/zinc/06/72/56/204067256.db2.gz	PPDDUHDEAGXWTA-KRWDZBQOSA-N	-1	3	356.809	3.446	10	10		FGCEHM
[O-]c1ccc(Br)cc1CN1CCO[C@@H](c2nccs2)C1	ZINC000092831202	494767848	/nfs/dbraw/zinc/76/78/48/494767848.db2.gz	VCWGSSUMFBBAPV-CYBMUJFWSA-N	-1	3	355.257	3.185	10	10		FGCEHM
CN(c1cccnn1)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1	ZINC000191334411	497783498	/nfs/dbraw/zinc/78/34/98/497783498.db2.gz	ZZKKXQZQKCDFDG-UHFFFAOYSA-N	-1	3	350.825	3.076	10	10		FGCEHM
Cc1cc(Br)cc([C@@H](C)N[C@@H]2CCCn3ncnc32)c1[O-]	ZINC000187286088	496376790	/nfs/dbraw/zinc/37/67/90/496376790.db2.gz	PFXRNLNZDNSBPT-ZWNOBZJWSA-N	-1	3	351.248	3.240	10	10		FGCEHM
Cc1cnn([C@@H]2CCCN(Cc3cccc(Br)c3[O-])C2)c1	ZINC000123050805	700699464	/nfs/dbraw/zinc/69/94/64/700699464.db2.gz	GPNCPMAEGWOXEU-CQSZACIVSA-N	-1	3	350.260	3.497	10	10		FGCEHM
Cn1nccc1C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000092810349	494756358	/nfs/dbraw/zinc/75/63/58/494756358.db2.gz	NWIHYNYIDXAPOI-UHFFFAOYSA-N	-1	3	350.806	3.067	10	10		FGCEHM
Cc1nc(C[C@@H]2CCCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)no1	ZINC000092813896	494761581	/nfs/dbraw/zinc/76/15/81/494761581.db2.gz	LLABRLRURVDTOV-NSHDSACASA-N	-1	3	366.805	3.100	10	10		FGCEHM
Cn1cc(CN2CCCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)cn1	ZINC000121572811	700675745	/nfs/dbraw/zinc/67/57/45/700675745.db2.gz	GWHWMBLFNFASBS-UHFFFAOYSA-N	-1	3	369.296	3.140	10	10		FGCEHM
Cc1cnn([C@@H]2CCCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)c1	ZINC000123008473	700698893	/nfs/dbraw/zinc/69/88/93/700698893.db2.gz	AIXUGZRGLBJTPR-CQSZACIVSA-N	-1	3	350.806	3.296	10	10		FGCEHM
CN1C(=O)/C(=C/c2ccc(C(=O)Nc3ccccc3[O-])cc2)SC1=S	ZINC000008375456	207231109	/nfs/dbraw/zinc/23/11/09/207231109.db2.gz	QXDHNGFQXGCUAK-GDNBJRDFSA-N	-1	3	370.455	3.476	10	10		FGCEHM
Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(Br)cc1[O-]	ZINC000186097207	495853999	/nfs/dbraw/zinc/85/39/99/495853999.db2.gz	UYAYGAKUJVVSJV-TVQRCGJNSA-N	-1	3	351.248	3.240	10	10		FGCEHM
CC(=O)c1cc(Cl)cc(CN2CCC(Nc3cccnn3)CC2)c1[O-]	ZINC000177126950	495937238	/nfs/dbraw/zinc/93/72/38/495937238.db2.gz	AAULWJDUCKZRLY-UHFFFAOYSA-N	-1	3	360.845	3.115	10	10		FGCEHM
CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cc(Br)ccc1[O-]	ZINC000185682271	495678673	/nfs/dbraw/zinc/67/86/73/495678673.db2.gz	BZKJYGULLZKSEE-ZWNOBZJWSA-N	-1	3	365.275	3.494	10	10		FGCEHM
C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccc(Br)cc1[O-]	ZINC000185586191	495632938	/nfs/dbraw/zinc/63/29/38/495632938.db2.gz	BHPLXJSLBNHVSS-MNOVXSKESA-N	-1	3	365.275	3.494	10	10		FGCEHM
C[C@@H](N[C@H](C)c1ccc(Br)cc1[O-])c1nnc2n1CCCC2	ZINC000185586232	495634405	/nfs/dbraw/zinc/63/44/05/495634405.db2.gz	BHPLXJSLBNHVSS-GHMZBOCLSA-N	-1	3	365.275	3.494	10	10		FGCEHM
CCN(Cc1nnc(C2CC2)n1C)Cc1cc(Br)ccc1[O-]	ZINC000076118441	493825734	/nfs/dbraw/zinc/82/57/34/493825734.db2.gz	UTMBLWLMHLMQOG-UHFFFAOYSA-N	-1	3	365.275	3.183	10	10		FGCEHM
CC[C@H](N[C@@H]1CCCn2ncnc21)c1cc(Br)ccc1[O-]	ZINC000156276682	496205110	/nfs/dbraw/zinc/20/51/10/496205110.db2.gz	JXVJIDYDQCVLNG-QWHCGFSZSA-N	-1	3	351.248	3.322	10	10		FGCEHM
C[C@H](N[C@@H](C)c1cc(Br)ccc1[O-])c1nnc2n1CCCC2	ZINC000185585061	495632759	/nfs/dbraw/zinc/63/27/59/495632759.db2.gz	SKMOEDHAKQBNBY-QWRGUYRKSA-N	-1	3	365.275	3.494	10	10		FGCEHM
CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc(Br)ccc1[O-]	ZINC000185682217	495676723	/nfs/dbraw/zinc/67/67/23/495676723.db2.gz	BZKJYGULLZKSEE-GWCFXTLKSA-N	-1	3	365.275	3.494	10	10		FGCEHM
CCn1cnnc1[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1	ZINC000177094824	495923212	/nfs/dbraw/zinc/92/32/12/495923212.db2.gz	XVMCLYQXKNYOLB-ZDUSSCGKSA-N	-1	3	362.861	3.239	10	10		FGCEHM
Cc1nc(C)n(C[C@H]2CCCN(Cc3c([O-])ccc(Cl)c3F)C2)n1	ZINC000191341261	496731699	/nfs/dbraw/zinc/73/16/99/496731699.db2.gz	CUFNPXAJNFCFRK-ZDUSSCGKSA-N	-1	3	352.841	3.305	10	10		FGCEHM
Cc1cnn([C@H]2CCCN(Cc3cccc(Br)c3[O-])C2)c1	ZINC000123051048	700699569	/nfs/dbraw/zinc/69/95/69/700699569.db2.gz	GPNCPMAEGWOXEU-AWEZNQCLSA-N	-1	3	350.260	3.497	10	10		FGCEHM
Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cc(Br)ccc1[O-]	ZINC000186096023	495854020	/nfs/dbraw/zinc/85/40/20/495854020.db2.gz	AXLLPFJUERTBRR-RNCFNFMXSA-N	-1	3	351.248	3.240	10	10		FGCEHM
COc1cc(Br)cc(CN2CCC[C@@H]2c2cnn(C)c2)c1[O-]	ZINC000131829273	494745525	/nfs/dbraw/zinc/74/55/25/494745525.db2.gz	RIMZCXYLLZVRDO-CQSZACIVSA-N	-1	3	366.259	3.234	10	10		FGCEHM
Cn1nccc1C1CCN(Cc2cc(Br)ccc2[O-])CC1	ZINC000092810223	494755971	/nfs/dbraw/zinc/75/59/71/494755971.db2.gz	HAQVIYCSQNDCBT-UHFFFAOYSA-N	-1	3	350.260	3.268	10	10		FGCEHM
COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc2ccccc2c1[O-]	ZINC000185775213	495721694	/nfs/dbraw/zinc/72/16/94/495721694.db2.gz	VYGAOECMJFRURK-SUMWQHHRSA-N	-1	3	352.438	3.469	10	10		FGCEHM
CC(=O)c1cc(Cl)cc(CN2CCC[C@H](Cc3noc(C)n3)C2)c1[O-]	ZINC000177093420	705605951	/nfs/dbraw/zinc/60/59/51/705605951.db2.gz	LISAGDPGTGTIKP-CYBMUJFWSA-N	-1	3	363.845	3.394	10	10		FGCEHM
Cc1csc([C@@H]2CN(Cc3cc(Br)ccc3[O-])CCO2)n1	ZINC000092789698	494749577	/nfs/dbraw/zinc/74/95/77/494749577.db2.gz	YSJRYKYOACGXMG-AWEZNQCLSA-N	-1	3	369.284	3.493	10	10		FGCEHM
[O-]c1ccc(Br)cc1CN1CCO[C@H](c2nccs2)C1	ZINC000092831201	494767996	/nfs/dbraw/zinc/76/79/96/494767996.db2.gz	VCWGSSUMFBBAPV-ZDUSSCGKSA-N	-1	3	355.257	3.185	10	10		FGCEHM
CC(=O)c1cc(F)cc(CN2CCO[C@H](c3nc(C)cs3)C2)c1[O-]	ZINC000175618111	496466596	/nfs/dbraw/zinc/46/65/96/496466596.db2.gz	IRWNMKRPSFLTQB-HNNXBMFYSA-N	-1	3	350.415	3.072	10	10		FGCEHM
CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cc(Br)ccc1[O-]	ZINC000185682233	495677062	/nfs/dbraw/zinc/67/70/62/495677062.db2.gz	BZKJYGULLZKSEE-GXFFZTMASA-N	-1	3	365.275	3.494	10	10		FGCEHM
CC(=O)c1cc(F)cc(CN2CCCC[C@H]2c2nnc3n2CCCC3)c1[O-]	ZINC000175620127	496467349	/nfs/dbraw/zinc/46/73/49/496467349.db2.gz	QLXNPNDKQHPDKT-KRWDZBQOSA-N	-1	3	372.444	3.389	10	10		FGCEHM
CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](Cc3noc(C)n3)C2)c1[O-]	ZINC000177093406	705605824	/nfs/dbraw/zinc/60/58/24/705605824.db2.gz	LISAGDPGTGTIKP-ZDUSSCGKSA-N	-1	3	363.845	3.394	10	10		FGCEHM
CCn1cnnc1C1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1	ZINC000177143973	495947269	/nfs/dbraw/zinc/94/72/69/495947269.db2.gz	WOWZVOJFTPFMOV-UHFFFAOYSA-N	-1	3	362.861	3.239	10	10		FGCEHM
CCN(Cc1nnc(C(C)C)n1C)Cc1cc(Br)ccc1[O-]	ZINC000174423818	495953339	/nfs/dbraw/zinc/95/33/39/495953339.db2.gz	BXHCOGADUHGPSH-UHFFFAOYSA-N	-1	3	367.291	3.429	10	10		FGCEHM
COc1cc(Br)cc(CN2CCC[C@H]2c2cnn(C)c2)c1[O-]	ZINC000131829062	494745663	/nfs/dbraw/zinc/74/56/63/494745663.db2.gz	RIMZCXYLLZVRDO-AWEZNQCLSA-N	-1	3	366.259	3.234	10	10		FGCEHM
C[C@@H](N[C@@H](C)c1ccc(Br)cc1[O-])c1nnc2n1CCCC2	ZINC000185586212	495633810	/nfs/dbraw/zinc/63/38/10/495633810.db2.gz	BHPLXJSLBNHVSS-WDEREUQCSA-N	-1	3	365.275	3.494	10	10		FGCEHM
CC(C)C[C@@H](N[C@H](C)c1ccc(F)cc1[O-])c1nc(-c2nc[nH]n2)no1	ZINC000186363947	495965356	/nfs/dbraw/zinc/96/53/56/495965356.db2.gz	GSFYTLMOAVIFCD-ZWNOBZJWSA-N	-1	3	360.393	3.137	10	10		FGCEHM
Cc1cnn([C@H]2CCCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)c1	ZINC000123008682	700698752	/nfs/dbraw/zinc/69/87/52/700698752.db2.gz	AIXUGZRGLBJTPR-AWEZNQCLSA-N	-1	3	350.806	3.296	10	10		FGCEHM
CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(Br)cc1[O-]	ZINC000185683289	495678217	/nfs/dbraw/zinc/67/82/17/495678217.db2.gz	UUKCDZWHQLXNFX-ZWNOBZJWSA-N	-1	3	365.275	3.494	10	10		FGCEHM
CCN(Cc1nnc(C)n1CC)Cc1cc(Br)ccc1[O-]	ZINC000174424376	495952743	/nfs/dbraw/zinc/95/27/43/495952743.db2.gz	YWBDRQYZYYPJSU-UHFFFAOYSA-N	-1	3	353.264	3.097	10	10		FGCEHM
Cc1cc(Br)cc([C@H](C)N[C@H]2CCCn3ncnc32)c1[O-]	ZINC000187286141	496376728	/nfs/dbraw/zinc/37/67/28/496376728.db2.gz	PFXRNLNZDNSBPT-GWCFXTLKSA-N	-1	3	351.248	3.240	10	10		FGCEHM
CCCC(=O)N[C@@H]1CCCN(Cc2cc(Br)ccc2[O-])C1	ZINC000092708098	700440245	/nfs/dbraw/zinc/44/02/45/700440245.db2.gz	CDDPOIMISCGBHW-CQSZACIVSA-N	-1	3	355.276	3.035	10	10		FGCEHM
Cc1nc(C[C@H]2CCCN(Cc3cc(Br)ccc3[O-])C2)no1	ZINC000092813663	494760678	/nfs/dbraw/zinc/76/06/78/494760678.db2.gz	MZCUCKKPNJPDQK-GFCCVEGCSA-N	-1	3	366.259	3.301	10	10		FGCEHM
CCn1cnnc1[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1	ZINC000177094808	495923550	/nfs/dbraw/zinc/92/35/50/495923550.db2.gz	XVMCLYQXKNYOLB-CYBMUJFWSA-N	-1	3	362.861	3.239	10	10		FGCEHM
CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(Br)cc1[O-]	ZINC000185683235	495677884	/nfs/dbraw/zinc/67/78/84/495677884.db2.gz	UUKCDZWHQLXNFX-GWCFXTLKSA-N	-1	3	365.275	3.494	10	10		FGCEHM
CC[C@H](N[C@H]1CCCn2ncnc21)c1cc(Br)ccc1[O-]	ZINC000156276911	496204235	/nfs/dbraw/zinc/20/42/35/496204235.db2.gz	JXVJIDYDQCVLNG-STQMWFEESA-N	-1	3	351.248	3.322	10	10		FGCEHM
CCCCOCCNc1cc([O-])c2c(c1O)C(=O)c1ccccc1C2=O	ZINC000034224899	494065185	/nfs/dbraw/zinc/06/51/85/494065185.db2.gz	RWOKTCVFQFPYSE-UHFFFAOYSA-N	-1	3	355.390	3.102	10	10		FGCEHM
CC[C@@H](N[C@H]1CCCn2ncnc21)c1cc(Br)ccc1[O-]	ZINC000156277023	496204261	/nfs/dbraw/zinc/20/42/61/496204261.db2.gz	JXVJIDYDQCVLNG-OLZOCXBDSA-N	-1	3	351.248	3.322	10	10		FGCEHM
O=[N+]([O-])c1cc(Cl)cc(CN2CCC(Cn3cccn3)CC2)c1[O-]	ZINC000122068675	700684066	/nfs/dbraw/zinc/68/40/66/700684066.db2.gz	GTQKFIJWYJIHKY-UHFFFAOYSA-N	-1	3	350.806	3.063	10	10		FGCEHM
CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(Br)cc1[O-]	ZINC000185683272	495677978	/nfs/dbraw/zinc/67/79/78/495677978.db2.gz	UUKCDZWHQLXNFX-MFKMUULPSA-N	-1	3	365.275	3.494	10	10		FGCEHM
CCCC(=O)N[C@H]1CCCN(Cc2cc(Br)ccc2[O-])C1	ZINC000092708099	700440083	/nfs/dbraw/zinc/44/00/83/700440083.db2.gz	CDDPOIMISCGBHW-AWEZNQCLSA-N	-1	3	355.276	3.035	10	10		FGCEHM
Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cc(Br)ccc1[O-]	ZINC000186096036	495854446	/nfs/dbraw/zinc/85/44/46/495854446.db2.gz	AXLLPFJUERTBRR-NOZJJQNGSA-N	-1	3	351.248	3.240	10	10		FGCEHM
[O-]c1ccc(Br)cc1CN1CCC(Nc2cccnn2)CC1	ZINC000120271971	495340449	/nfs/dbraw/zinc/34/04/49/495340449.db2.gz	XIWZSOURZZOAIX-UHFFFAOYSA-N	-1	3	363.259	3.021	10	10		FGCEHM
Cc1nc(C[C@@H]2CCCN(Cc3cc(Br)ccc3[O-])C2)no1	ZINC000092813662	494761132	/nfs/dbraw/zinc/76/11/32/494761132.db2.gz	MZCUCKKPNJPDQK-LBPRGKRZSA-N	-1	3	366.259	3.301	10	10		FGCEHM
CC[C@@H](N[C@@H]1CCCn2ncnc21)c1cc(Br)ccc1[O-]	ZINC000156276791	496205023	/nfs/dbraw/zinc/20/50/23/496205023.db2.gz	JXVJIDYDQCVLNG-CHWSQXEVSA-N	-1	3	351.248	3.322	10	10		FGCEHM
COc1cc(Cl)cc(CN2CCO[C@H](c3nc(C)cs3)C2)c1[O-]	ZINC000184686638	496493563	/nfs/dbraw/zinc/49/35/63/496493563.db2.gz	PYBZZELTJNSRLX-AWEZNQCLSA-N	-1	3	354.859	3.393	10	10		FGCEHM
COCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc2ccccc2c1[O-]	ZINC000185775236	495722114	/nfs/dbraw/zinc/72/21/14/495722114.db2.gz	VYGAOECMJFRURK-CXAGYDPISA-N	-1	3	352.438	3.469	10	10		FGCEHM
Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(Br)cc1[O-]	ZINC000186097227	495854478	/nfs/dbraw/zinc/85/44/78/495854478.db2.gz	UYAYGAKUJVVSJV-RNCFNFMXSA-N	-1	3	351.248	3.240	10	10		FGCEHM
CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)c1[O-]	ZINC000175620105	496467795	/nfs/dbraw/zinc/46/77/95/496467795.db2.gz	QLXNPNDKQHPDKT-QGZVFWFLSA-N	-1	3	372.444	3.389	10	10		FGCEHM
C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1cc(Br)ccc1[O-]	ZINC000185585079	495632962	/nfs/dbraw/zinc/63/29/62/495632962.db2.gz	SKMOEDHAKQBNBY-MNOVXSKESA-N	-1	3	365.275	3.494	10	10		FGCEHM
Cc1cc(Br)cc(CN2CCO[C@@H](c3nccs3)C2)c1[O-]	ZINC000180007613	495819878	/nfs/dbraw/zinc/81/98/78/495819878.db2.gz	IJDVYIRFSRAADL-CYBMUJFWSA-N	-1	3	369.284	3.493	10	10		FGCEHM
CC(C)C[C@H](N[C@@H](C)c1ccc(F)cc1[O-])c1nc(-c2nc[nH]n2)no1	ZINC000186363892	495965655	/nfs/dbraw/zinc/96/56/55/495965655.db2.gz	GSFYTLMOAVIFCD-GWCFXTLKSA-N	-1	3	360.393	3.137	10	10		FGCEHM
CCCC(=O)N[C@H]1CCCN(Cc2cccc(Br)c2[O-])C1	ZINC000092708461	700440055	/nfs/dbraw/zinc/44/00/55/700440055.db2.gz	MWBNOUVSDLCQFJ-ZDUSSCGKSA-N	-1	3	355.276	3.035	10	10		FGCEHM
CC(C)(C)n1cc(CN2CCN(Cc3cc(Cl)ccc3[O-])CC2)cn1	ZINC000121481939	700673485	/nfs/dbraw/zinc/67/34/85/700673485.db2.gz	KRRITDNPLCIOPD-UHFFFAOYSA-N	-1	3	362.905	3.315	10	10		FGCEHM
Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cc(Br)ccc1[O-]	ZINC000186096006	495854839	/nfs/dbraw/zinc/85/48/39/495854839.db2.gz	AXLLPFJUERTBRR-TVQRCGJNSA-N	-1	3	351.248	3.240	10	10		FGCEHM
CC(=O)c1cc(F)cc(CN2CCO[C@@H](c3nc(C)cs3)C2)c1[O-]	ZINC000175618131	496466687	/nfs/dbraw/zinc/46/66/87/496466687.db2.gz	IRWNMKRPSFLTQB-OAHLLOKOSA-N	-1	3	350.415	3.072	10	10		FGCEHM
Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc(Br)ccc1[O-]	ZINC000186095990	495854998	/nfs/dbraw/zinc/85/49/98/495854998.db2.gz	AXLLPFJUERTBRR-ZANVPECISA-N	-1	3	351.248	3.240	10	10		FGCEHM
Cc1cc(Br)cc(CN2CCO[C@H](c3nccs3)C2)c1[O-]	ZINC000180007601	495820267	/nfs/dbraw/zinc/82/02/67/495820267.db2.gz	IJDVYIRFSRAADL-ZDUSSCGKSA-N	-1	3	369.284	3.493	10	10		FGCEHM
Cc1nc(C)n(C[C@@H]2CCCN(Cc3c([O-])ccc(Cl)c3F)C2)n1	ZINC000191341249	496731741	/nfs/dbraw/zinc/73/17/41/496731741.db2.gz	CUFNPXAJNFCFRK-CYBMUJFWSA-N	-1	3	352.841	3.305	10	10		FGCEHM
O=[N+]([O-])c1cc(Cl)cc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)c1[O-]	ZINC000249977408	497259786	/nfs/dbraw/zinc/25/97/86/497259786.db2.gz	LATXZMMVNXWECF-JSGCOSHPSA-N	-1	3	368.842	3.223	10	10		FGCEHM
CCN(Cc1c(C)nn(C)c1OC)Cc1cc(Br)ccc1[O-]	ZINC000093866963	700455531	/nfs/dbraw/zinc/45/55/31/700455531.db2.gz	SOYMSLOVAZGYEV-UHFFFAOYSA-N	-1	3	368.275	3.227	10	10		FGCEHM
O=c1cc(C(F)(F)F)nc(NCc2ccc(N3CCCCC3)cc2)[n-]1	ZINC000057342754	132376453	/nfs/dbraw/zinc/37/64/53/132376453.db2.gz	HZUNYLMCISTOLQ-UHFFFAOYSA-N	-1	3	352.360	3.391	10	10		FGCEHM
Cc1csc([C@H]2CN(Cc3cc(Br)ccc3[O-])CCO2)n1	ZINC000092789699	494749992	/nfs/dbraw/zinc/74/99/92/494749992.db2.gz	YSJRYKYOACGXMG-CQSZACIVSA-N	-1	3	369.284	3.493	10	10		FGCEHM
COc1cccc2c1C(=O)c1c([O-])c3ccc([C@@H](C)O)cc3c(O)c1C2=O	ZINC000006037124	560204829	/nfs/dbraw/zinc/20/48/29/560204829.db2.gz	GXNBQMKESQAVQC-SECBINFHSA-N	-1	3	364.353	3.088	10	10	in-vitro	FGCEHM
COc1cccc2c1C(=O)c1c(O)c3ccc([C@@H](C)O)cc3c([O-])c1C2=O	ZINC000006037124	560204830	/nfs/dbraw/zinc/20/48/30/560204830.db2.gz	GXNBQMKESQAVQC-SECBINFHSA-N	-1	3	364.353	3.088	10	10	in-vitro	FGCEHM
CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cc(Br)ccc1[O-]	ZINC000185682252	495677044	/nfs/dbraw/zinc/67/70/44/495677044.db2.gz	BZKJYGULLZKSEE-MFKMUULPSA-N	-1	3	365.275	3.494	10	10		FGCEHM
Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc([O-])cc3)C2=O)cc1	ZINC000005745175	493941693	/nfs/dbraw/zinc/94/16/93/493941693.db2.gz	ZHAZUZVDZLULCX-GDNBJRDFSA-N	-1	3	370.455	3.247	10	10		FGCEHM
O=C(c1cccc(O)c1[O-])N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000185884802	495764553	/nfs/dbraw/zinc/76/45/53/495764553.db2.gz	HNNVCFNHTIDZNP-JSGCOSHPSA-N	-1	3	367.323	3.065	10	10		FGCEHM
O=C(c1cccc(O)c1[O-])N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000185884847	495764916	/nfs/dbraw/zinc/76/49/16/495764916.db2.gz	HNNVCFNHTIDZNP-OCCSQVGLSA-N	-1	3	367.323	3.065	10	10		FGCEHM
Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(Br)cc1[O-]	ZINC000186097188	495854501	/nfs/dbraw/zinc/85/45/01/495854501.db2.gz	UYAYGAKUJVVSJV-ZANVPECISA-N	-1	3	351.248	3.240	10	10		FGCEHM
C[C@@H](N[C@H](C)c1cc(Br)ccc1[O-])c1nnc2n1CCCC2	ZINC000185585121	495632449	/nfs/dbraw/zinc/63/24/49/495632449.db2.gz	SKMOEDHAKQBNBY-GHMZBOCLSA-N	-1	3	365.275	3.494	10	10		FGCEHM
CC(=O)c1cc(Cl)cc(CN2CCC(N(C)c3cccnn3)CC2)c1[O-]	ZINC000177127199	495937082	/nfs/dbraw/zinc/93/70/82/495937082.db2.gz	MQOGHZWIUFOHDP-UHFFFAOYSA-N	-1	3	374.872	3.139	10	10		FGCEHM
CC(C)C[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])c1nc(-c2nc[nH]n2)no1	ZINC000186363910	495965035	/nfs/dbraw/zinc/96/50/35/495965035.db2.gz	GSFYTLMOAVIFCD-GXFFZTMASA-N	-1	3	360.393	3.137	10	10		FGCEHM
Cc1cccc(/C=C2\SC(=S)N(NC(=O)c3cccc([O-])c3)C2=O)c1	ZINC000016929579	220197351	/nfs/dbraw/zinc/19/73/51/220197351.db2.gz	SMBSKPYLFJCTDI-DHDCSXOGSA-N	-1	3	370.455	3.247	10	10		FGCEHM
Cc1cc(Br)cc([C@H](C)N[C@@H]2CCCn3ncnc32)c1[O-]	ZINC000187286107	496377183	/nfs/dbraw/zinc/37/71/83/496377183.db2.gz	PFXRNLNZDNSBPT-GXFFZTMASA-N	-1	3	351.248	3.240	10	10		FGCEHM
COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc2ccccc2c1[O-]	ZINC000185775255	495721550	/nfs/dbraw/zinc/72/15/50/495721550.db2.gz	VYGAOECMJFRURK-GUYCJALGSA-N	-1	3	352.438	3.469	10	10		FGCEHM
CC(C)C[C@H](N[C@H](C)c1ccc(F)cc1[O-])c1nc(-c2nc[nH]n2)no1	ZINC000186363929	495965703	/nfs/dbraw/zinc/96/57/03/495965703.db2.gz	GSFYTLMOAVIFCD-MFKMUULPSA-N	-1	3	360.393	3.137	10	10		FGCEHM
[O-]c1c(Br)cccc1CN1CCC(Nc2cccnn2)CC1	ZINC000120309407	700652560	/nfs/dbraw/zinc/65/25/60/700652560.db2.gz	LVQBLMNVLOIFHY-UHFFFAOYSA-N	-1	3	363.259	3.021	10	10		FGCEHM
Cc1nc(C[C@H]2CCCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)no1	ZINC000092813897	494761377	/nfs/dbraw/zinc/76/13/77/494761377.db2.gz	LLABRLRURVDTOV-LLVKDONJSA-N	-1	3	366.805	3.100	10	10		FGCEHM