smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1CCN([C@@H](c2cccnc2)c2cc(Cl)c3cccnc3c2[O-])CC1	ZINC000021486914	570280782	/nfs/dbraw/zinc/28/07/82/570280782.db2.gz	XAFSFXYJOJWLJD-FQEVSTJZSA-N	-1	3	382.895	3.716	50	10		GHCAHM
CC(C)CCN(C[C@H]1CN(Cc2ccccc2[O-])CCO1)C(=O)c1ccccc1	ZINC000034686578	570295977	/nfs/dbraw/zinc/29/59/77/570295977.db2.gz	XOXFQMOBFSZXTP-JOCHJYFZSA-N	-1	3	396.531	3.782	50	10		GHCAHM
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3[O-])C2=O)cc1	ZINC000013785672	570790429	/nfs/dbraw/zinc/79/04/29/570790429.db2.gz	NBZXQYBPOUZITD-ATVHPVEESA-N	-1	3	398.509	3.931	50	10		GHCAHM
O=C(CCCn1cncn1)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000048364047	205121477	/nfs/dbraw/zinc/12/14/77/205121477.db2.gz	YFIVXNDJJMONHM-QHCPKHFHSA-N	-1	3	386.455	3.823	50	10		GHCAHM
CC(=O)N1CCC2(CC1)N=C(c1ccc(C)cc1)C[C@@H](c1ccccc1[O-])N2	ZINC000065297874	205227875	/nfs/dbraw/zinc/22/78/75/205227875.db2.gz	NDUODOFSLBBQEN-NRFANRHFSA-N	-1	3	377.488	3.563	50	10	biogenic	GHCAHM
[O-]c1c([C@@H](c2ccccn2)N2CCN(c3ccccn3)CC2)ccc2cccnc21	ZINC000004247748	136196664	/nfs/dbraw/zinc/19/66/64/136196664.db2.gz	OZSANKKZTCLFJI-QHCPKHFHSA-N	-1	3	397.482	3.642	50	10		GHCAHM
COc1ccc([C@H]2CC(c3cc(Br)ccc3[O-])=NN2C(C)=O)cc1	ZINC000097104970	570894159	/nfs/dbraw/zinc/89/41/59/570894159.db2.gz	PWARDDMHUPFRJP-QGZVFWFLSA-N	-1	3	389.249	3.861	50	10		GHCAHM
O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1[O-]	ZINC000006227934	204171704	/nfs/dbraw/zinc/17/17/04/204171704.db2.gz	GGEMCFKZONIVOE-GXDHUFHOSA-N	-1	3	390.511	3.684	50	10		GHCAHM
CC(=C\c1ccccc1)/C=C1\SC(=S)N([N-]C(=O)c2ccncc2)C1=O	ZINC000005296920	570549279	/nfs/dbraw/zinc/54/92/79/570549279.db2.gz	QLZMBBWAMXJYKC-DXHZZVMKSA-N	-1	3	381.482	3.574	50	10		GHCAHM
CC(=O)c1ccc(N2CCN(Cc3c([O-])ccc4ccncc43)CC2)c(F)c1	ZINC000012517621	570826585	/nfs/dbraw/zinc/82/65/85/570826585.db2.gz	JXFLAHSSAMRGGN-UHFFFAOYSA-N	-1	3	379.435	3.604	50	10		GHCAHM
CCc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3[O-])C2=O)cc1	ZINC000015799933	570905094	/nfs/dbraw/zinc/90/50/94/570905094.db2.gz	MLWXOPTYDBELFI-GZTJUZNOSA-N	-1	3	398.509	3.795	50	10		GHCAHM
Cc1oc2ccc([O-])c(CN3CCOCC3)c2c1C(=O)Nc1ccc(C)cc1	ZINC000019794006	860370109	/nfs/dbraw/zinc/37/01/09/860370109.db2.gz	OJGIPEYIYDWOGZ-UHFFFAOYSA-N	-1	3	380.444	3.840	50	10		GHCAHM
CCCc1cc2c(-c3ccccc3)cc(=O)oc2c(CN2CCN(C)CC2)c1[O-]	ZINC000019908970	570229133	/nfs/dbraw/zinc/22/91/33/570229133.db2.gz	CAGDMNJGCTYLMC-UHFFFAOYSA-N	-1	3	392.499	3.866	50	10		GHCAHM
O=C(Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O)[C@H]1C[C@H]1c1ccccc1	ZINC000005003650	570994708	/nfs/dbraw/zinc/99/47/08/570994708.db2.gz	RALBSMPFIOXCGQ-IRXDYDNUSA-N	-1	3	384.387	3.877	50	10		GHCAHM
N=C1/C(=C/c2ccc([O-])cc2)C(=O)N=C2SN=C(SCc3ccccc3)N21	ZINC000004616734	204058820	/nfs/dbraw/zinc/05/88/20/204058820.db2.gz	POKNPOQYLJFYGB-YERBQUFUSA-N	-1	3	394.481	3.902	50	10		GHCAHM
CCOc1c([O-])ccc(/C=C2/C(=O)N(c3cccc(C)c3)N=C2C)c1[N+](=O)[O-]	ZINC000000996126	570234316	/nfs/dbraw/zinc/23/43/16/570234316.db2.gz	SJAAGLUIKSJTCU-LFIBNONCSA-N	-1	3	381.388	3.814	50	10		GHCAHM
O=C([N-]N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S)c1ccccc1Cl	ZINC000016672867	570930301	/nfs/dbraw/zinc/93/03/01/570930301.db2.gz	MDIKVIAGMVIASR-NTEUORMPSA-N	-1	3	390.873	3.592	50	10		GHCAHM
Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1ccc(C)c(O)c1[O-]	ZINC000170656283	571000179	/nfs/dbraw/zinc/00/01/79/571000179.db2.gz	JJNMXKDMJGSAPG-UHFFFAOYSA-N	-1	3	379.460	3.789	50	10		GHCAHM
COc1ccc([C@H]2CC(c3ccccc3[O-])=NN2C(=O)c2ccco2)cc1OC	ZINC000004942494	204095367	/nfs/dbraw/zinc/09/53/67/204095367.db2.gz	KUTOVKLALJKPHB-QGZVFWFLSA-N	-1	3	392.411	3.994	50	10		GHCAHM
O=C(NN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)c1ccccc1[O-]	ZINC000001212753	570258468	/nfs/dbraw/zinc/25/84/68/570258468.db2.gz	WFQYUKLBKOQALM-ZROIWOOFSA-N	-1	3	390.873	3.592	50	10		GHCAHM
O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1[O-]	ZINC000001232284	570259364	/nfs/dbraw/zinc/25/93/64/570259364.db2.gz	BQASERKPKJGDHW-VBKFSLOCSA-N	-1	3	384.482	3.622	50	10		GHCAHM
O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccc1[O-]	ZINC000002303589	570281868	/nfs/dbraw/zinc/28/18/68/570281868.db2.gz	GGEMCFKZONIVOE-UVTDQMKNSA-N	-1	3	390.511	3.684	50	10		GHCAHM
CCCC(=O)N[C@@H](c1ccc(OC)c(OC)c1)c1ccc2cccnc2c1[O-]	ZINC000002873371	570314155	/nfs/dbraw/zinc/31/41/55/570314155.db2.gz	YAYIASZMXDWVNI-FQEVSTJZSA-N	-1	3	380.444	3.963	50	10	biogenic	GHCAHM
CCOC(=O)c1c(-c2ccccc2)oc2ccc([O-])c(CN3CCOCC3)c21	ZINC000019593719	570468255	/nfs/dbraw/zinc/46/82/55/570468255.db2.gz	OGXGATRCXHSTEV-UHFFFAOYSA-N	-1	3	381.428	3.814	50	10		GHCAHM
COC(=O)CC1CCN(Cc2c3c(C(=O)c4ccco4)coc3ccc2[O-])CC1	ZINC000252510731	570980125	/nfs/dbraw/zinc/98/01/25/570980125.db2.gz	ZPDVZHNEBKVHQW-UHFFFAOYSA-N	-1	3	397.427	3.738	50	10	biogenic	GHCAHM
[O-]c1ccc(-c2cnccn2)cc1CN1CCN(C/C=C/c2ccccc2)CC1	ZINC000299786928	205109308	/nfs/dbraw/zinc/10/93/08/205109308.db2.gz	NZJBAHQWHLFGKT-QPJJXVBHSA-N	-1	3	386.499	3.680	50	10		GHCAHM
CC12CN3CC(c4ccccc4)(CN(C1)C3c1c([O-])ccc3ccccc31)C2=O	ZINC000019323680	570974513	/nfs/dbraw/zinc/97/45/13/570974513.db2.gz	FUPKOYYMJAVKPH-UHFFFAOYSA-N	-1	3	384.479	3.702	50	10	biogenic	GHCAHM
COc1ccc([C@H](NC(=O)C(C)C)c2ccc3cccnc3c2[O-])cc1OC	ZINC000002873350	570314147	/nfs/dbraw/zinc/31/41/47/570314147.db2.gz	GUGKZZCJXZJTGZ-IBGZPJMESA-N	-1	3	380.444	3.819	50	10	biogenic	GHCAHM
Cc1ccc2nsnc2c1S(=O)(=O)[N-]c1ccccc1Br	ZINC000005260188	570660192	/nfs/dbraw/zinc/66/01/92/570660192.db2.gz	GOMFTRWINCBSDW-UHFFFAOYSA-N	-1	3	384.280	3.563	50	10		GHCAHM
[O-]c1cc2c(cc1[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)OCO2	ZINC000020745066	570279056	/nfs/dbraw/zinc/27/90/56/570279056.db2.gz	RSRXHKPLBDWUTH-SFHVURJKSA-N	-1	3	382.243	3.849	50	10		GHCAHM
CC(=C\c1ccccc1)/C=C1\SC(=S)N(NC(=O)c2cccc([O-])c2)C1=O	ZINC000004567478	204054866	/nfs/dbraw/zinc/05/48/66/204054866.db2.gz	OMDGPBKEAHNZFQ-NEOBQEPSSA-N	-1	3	396.493	3.885	50	10		GHCAHM
COc1ccc2ccc([O-])c(CN3CCCc4cc(S(C)(=O)=O)ccc43)c2c1	ZINC000059578956	136155668	/nfs/dbraw/zinc/15/56/68/136155668.db2.gz	NYVXUCXQJUUKRL-UHFFFAOYSA-N	-1	3	397.496	3.910	50	10		GHCAHM
COc1ccc([C@@H](c2cc(Cl)c3cccnc3c2[O-])N2CCN(C)CC2)cc1	ZINC000019898713	570228389	/nfs/dbraw/zinc/22/83/89/570228389.db2.gz	YNMYELPINOSQOE-NRFANRHFSA-N	-1	3	397.906	3.939	50	10		GHCAHM
Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1	ZINC000024885569	570407427	/nfs/dbraw/zinc/40/74/27/570407427.db2.gz	HLMYKULFJAJPCJ-UHFFFAOYSA-N	-1	3	383.473	3.718	50	10		GHCAHM
CCc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3[O-])C2=O)cc1	ZINC000001186720	570792130	/nfs/dbraw/zinc/79/21/30/570792130.db2.gz	MLWXOPTYDBELFI-BOPFTXTBSA-N	-1	3	398.509	3.795	50	10		GHCAHM
COC(OC)(c1[n-]nc2c1ccc1c2C(=O)c2ccccc2C1=O)c1ccccc1	ZINC000004817781	206214523	/nfs/dbraw/zinc/21/45/23/206214523.db2.gz	ARZFYNKIHZOZHO-UHFFFAOYSA-N	-1	3	398.418	3.832	50	10		GHCAHM
COc1ccc([C@H]2CC(c3cc(Br)ccc3[O-])=NN2)cc1OC	ZINC000001463805	570229880	/nfs/dbraw/zinc/22/98/80/570229880.db2.gz	PVYDRMXIVHTQDK-CYBMUJFWSA-N	-1	3	377.238	3.611	50	10		GHCAHM
COc1ccc(-c2coc3c(ccc([O-])c3CN3CCCC3)c2=O)cc1OC	ZINC000020411434	860567253	/nfs/dbraw/zinc/56/72/53/860567253.db2.gz	TZXDLAGDEKDERO-UHFFFAOYSA-N	-1	3	381.428	3.779	50	10	biogenic	GHCAHM
CC1CCN(CC(=O)N2N=C(c3ccccc3[O-])C[C@H]2c2cccs2)CC1	ZINC000241684831	206129638	/nfs/dbraw/zinc/12/96/38/206129638.db2.gz	QFNMTDHEZFMCNI-SFHVURJKSA-N	-1	3	383.517	3.863	50	10		GHCAHM
CCc1c(C)c2ccc([O-])c(CN3CCN(c4ccccc4)CC3)c2oc1=O	ZINC000058104636	136154304	/nfs/dbraw/zinc/15/43/04/136154304.db2.gz	ILRLPVNKGNGZFX-UHFFFAOYSA-N	-1	3	378.472	3.692	50	10		GHCAHM
COc1ccc([C@@H]2CC(c3ccccc3[O-])=NN2C(=O)c2ccco2)c(OC)c1	ZINC000089434781	570452923	/nfs/dbraw/zinc/45/29/23/570452923.db2.gz	MFJBFMGBOWFOOG-SFHVURJKSA-N	-1	3	392.411	3.994	50	10		GHCAHM
COc1ccc([C@H](NC(C)=O)c2cc(Cl)c3cccnc3c2[O-])cc1OC	ZINC000000869262	570533727	/nfs/dbraw/zinc/53/37/27/570533727.db2.gz	YJRRXUGZZNAGQS-SFHVURJKSA-N	-1	3	386.835	3.837	50	10		GHCAHM
COc1cccc(-c2ccc([O-])c(CN3CCN(c4ccccc4F)CC3)c2)n1	ZINC000014991746	570870383	/nfs/dbraw/zinc/87/03/83/570870383.db2.gz	OIOQNRBQDPWJRR-UHFFFAOYSA-N	-1	3	393.462	3.924	50	10		GHCAHM
COc1cc2c(cc1OC)[C@H](c1cc(Br)ccc1[O-])N(C)CC2	ZINC000006667462	204190204	/nfs/dbraw/zinc/19/02/04/204190204.db2.gz	JEOKXNLJLFGKND-GOSISDBHSA-N	-1	3	378.266	3.749	50	10		GHCAHM
CC(=O)N1CCC2(CC1)N=C(c1ccc(C)c(C)c1)C[C@H](c1ccccc1[O-])N2	ZINC000065297941	205227745	/nfs/dbraw/zinc/22/77/45/205227745.db2.gz	LGRHAADIXKQHOK-JOCHJYFZSA-N	-1	3	391.515	3.871	50	10	biogenic	GHCAHM
CCCC(=O)N[C@H](c1ccc(OC)c(OC)c1)c1ccc2cccnc2c1[O-]	ZINC000002873372	570314133	/nfs/dbraw/zinc/31/41/33/570314133.db2.gz	YAYIASZMXDWVNI-HXUWFJFHSA-N	-1	3	380.444	3.963	50	10	biogenic	GHCAHM
CC(=C\c1ccccc1)/C=C1/SC(=S)N([N-]C(=O)c2ccncc2)C1=O	ZINC000027229175	570432530	/nfs/dbraw/zinc/43/25/30/570432530.db2.gz	QLZMBBWAMXJYKC-PKRRCJCNSA-N	-1	3	381.482	3.574	50	10		GHCAHM
[O-]c1ccccc1[C@@H]1c2[nH]cnc2CCN1Cc1c[nH]nc1-c1ccc(F)cc1	ZINC000067934810	205268729	/nfs/dbraw/zinc/26/87/29/205268729.db2.gz	QMELLOGBBQXORY-JOCHJYFZSA-N	-1	3	389.434	3.792	50	10		GHCAHM
CCn1ccc([C@H]2CC(c3ccccc3[O-])=NN2c2ccc([N+](=O)[O-])cc2)n1	ZINC000071785145	205297125	/nfs/dbraw/zinc/29/71/25/205297125.db2.gz	YXCSVAJGCHDPAR-LJQANCHMSA-N	-1	3	377.404	3.873	50	10		GHCAHM
Cc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3[O-])C2=O)cc1	ZINC000001186447	570256619	/nfs/dbraw/zinc/25/66/19/570256619.db2.gz	DUKKKAKUOKSVGI-MHWRWJLKSA-N	-1	3	384.482	3.541	50	10		GHCAHM
O=C(NN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)c1cccc([O-])c1	ZINC000005577945	570665130	/nfs/dbraw/zinc/66/51/30/570665130.db2.gz	AWQLVRUBJQMSOX-RIYZIHGNSA-N	-1	3	390.873	3.592	50	10		GHCAHM
CN(C)Cc1c([O-])ccc2c(-c3cc4cc(Cl)ccc4oc3=O)cc(=O)oc21	ZINC000004339978	570678236	/nfs/dbraw/zinc/67/82/36/570678236.db2.gz	FFZOZZSZGFOVGS-UHFFFAOYSA-N	-1	3	397.814	3.987	50	10	biogenic	GHCAHM
CC(=O)c1ccc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)cc1	ZINC000055292199	570690691	/nfs/dbraw/zinc/69/06/91/570690691.db2.gz	WQUDTDOGHHUGDH-UHFFFAOYSA-N	-1	3	389.293	3.680	50	10		GHCAHM
COc1ccc([C@@H]2CC(c3ccccc3[O-])=NN2C(=O)c2ccco2)cc1OC	ZINC000004942493	204095318	/nfs/dbraw/zinc/09/53/18/204095318.db2.gz	KUTOVKLALJKPHB-KRWDZBQOSA-N	-1	3	392.411	3.994	50	10		GHCAHM
CC(=C\c1ccccc1)/C=C1\SC(=S)N(NC(=O)c2ccc([O-])cc2)C1=O	ZINC000005031891	204104666	/nfs/dbraw/zinc/10/46/66/204104666.db2.gz	FCMXIGIBNGBWOZ-YMGXUNRSSA-N	-1	3	396.493	3.885	50	10		GHCAHM
COc1cc(Br)cc(CN2CCN(c3ccccc3F)CC2)c1[O-]	ZINC000096876690	136187660	/nfs/dbraw/zinc/18/76/60/136187660.db2.gz	ZLYFPGKZXITLFK-UHFFFAOYSA-N	-1	3	395.272	3.625	50	10		GHCAHM
CC(C)CCN(C[C@@H]1CN(Cc2ccccc2[O-])CCO1)C(=O)c1ccccc1	ZINC000034686577	570295713	/nfs/dbraw/zinc/29/57/13/570295713.db2.gz	XOXFQMOBFSZXTP-QFIPXVFZSA-N	-1	3	396.531	3.782	50	10		GHCAHM
O=C([N-]N1C(=O)/C(=C/c2cccs2)SC1=S)c1ccccc1Cl	ZINC000001281109	206372301	/nfs/dbraw/zinc/37/23/01/206372301.db2.gz	QEXVKIONJYLVAK-WQLSENKSSA-N	-1	3	380.903	3.948	50	10		GHCAHM
O=c1c(-c2ccc3c(c2)OCCO3)coc2c1ccc([O-])c2CN1CCCCC1	ZINC000019938611	206296274	/nfs/dbraw/zinc/29/62/74/206296274.db2.gz	FPOCOMFNUAHZAX-UHFFFAOYSA-N	-1	3	393.439	3.923	50	10	biogenic	GHCAHM
COc1cc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc(Cl)c1[O-]	ZINC000101727718	208399860	/nfs/dbraw/zinc/39/98/60/208399860.db2.gz	FBBTWYZCNWZBTH-VGOFMYFVSA-N	-1	3	387.779	3.769	50	10		GHCAHM
CCOC(=O)C=c1[n-]n(-c2ccccc2)c(=O)c1=Cc1ccc(OCC)cc1	ZINC000027520839	207325154	/nfs/dbraw/zinc/32/51/54/207325154.db2.gz	LWFVGBZKVIALBI-RGEXLXHISA-N	-1	3	378.428	3.825	50	10		GHCAHM
[O-]c1ccc(Cl)cc1CN1CCN(CCCc2ccccc2)[C@@H](CCO)C1	ZINC000019635751	207144442	/nfs/dbraw/zinc/14/44/42/207144442.db2.gz	VJXUNKKGEDZDFP-NRFANRHFSA-N	-1	3	388.939	3.547	50	10		GHCAHM
COc1ccc(-c2cc(=O)oc3c2ccc([O-])c3CNCc2cccnc2)cc1	ZINC000006673205	570529694	/nfs/dbraw/zinc/52/96/94/570529694.db2.gz	JOUNQJJZFDJBJV-UHFFFAOYSA-N	-1	3	388.423	3.859	50	10		GHCAHM
Cc1c2ccc([O-])c(CN3CCN(C)CC3)c2oc(=O)c1-c1ccc(Cl)cc1	ZINC000020605068	206297046	/nfs/dbraw/zinc/29/70/46/206297046.db2.gz	NSOCEIMJVDDWHZ-UHFFFAOYSA-N	-1	3	398.890	3.875	50	10		GHCAHM
[O-]c1ccc(Br)cc1CN1CCN(Cc2cccc(F)c2)CC1	ZINC000095220940	208155530	/nfs/dbraw/zinc/15/55/30/208155530.db2.gz	JSCXCNHLTGVPCN-UHFFFAOYSA-N	-1	3	379.273	3.612	50	10		GHCAHM
CCOC(=O)c1c(-c2ccccc2)oc2ccc([O-])c(CN3CCN(C)CC3)c21	ZINC000019789447	206296504	/nfs/dbraw/zinc/29/65/04/206296504.db2.gz	JXOJPBJBHDCLFP-UHFFFAOYSA-N	-1	3	394.471	3.730	50	10		GHCAHM
COc1ccc([C@H](c2cc(Cl)c3cccnc3c2[O-])N2CCN(C)CC2)cc1	ZINC000019898712	207169420	/nfs/dbraw/zinc/16/94/20/207169420.db2.gz	YNMYELPINOSQOE-OAQYLSRUSA-N	-1	3	397.906	3.939	50	10		GHCAHM
COc1ccc([C@@H](c2ccc3c(OC)cccc3c2[O-])N2CCN(C)CC2)cc1	ZINC000022935330	207264629	/nfs/dbraw/zinc/26/46/29/207264629.db2.gz	SHGIENHXAMWUBU-QHCPKHFHSA-N	-1	3	392.499	3.899	50	10		GHCAHM
COC(=O)c1ccc([C@H](c2c([O-])ccc3ccccc32)N2CCOCC2)cc1	ZINC000025561815	207304703	/nfs/dbraw/zinc/30/47/03/207304703.db2.gz	YMCQRYCRSDWBJA-JOCHJYFZSA-N	-1	3	377.440	3.754	50	10		GHCAHM
O=C(CCCn1cncn1)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000048364050	570245144	/nfs/dbraw/zinc/24/51/44/570245144.db2.gz	YFIVXNDJJMONHM-HSZRJFAPSA-N	-1	3	386.455	3.823	50	10		GHCAHM
O=C(NN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)c1ccccc1[O-]	ZINC000005005492	570394320	/nfs/dbraw/zinc/39/43/20/570394320.db2.gz	VYYXMVUCNRDQPE-NTEUORMPSA-N	-1	3	390.873	3.592	50	10		GHCAHM
CC(=C\c1ccccc1)/C=C1\SC(=S)N([N-]C(=O)c2cccnc2)C1=O	ZINC000013804081	570697787	/nfs/dbraw/zinc/69/77/87/570697787.db2.gz	HKSSAIYIDJUMME-VKDWSQHSSA-N	-1	3	381.482	3.574	50	10		GHCAHM
COc1cccc2c([O-])c([C@H](c3ccccc3OC)N3CCOCC3)ccc12	ZINC000020625049	207209105	/nfs/dbraw/zinc/20/91/05/207209105.db2.gz	DYHRMNRAJQLQAP-QFIPXVFZSA-N	-1	3	379.456	3.984	50	10		GHCAHM
COc1ccc2ccc([O-])c(CN3CCN(C(=O)c4cccs4)CC3)c2c1	ZINC000027513372	207325723	/nfs/dbraw/zinc/32/57/23/207325723.db2.gz	PTMSEEAKWDMUGL-UHFFFAOYSA-N	-1	3	382.485	3.574	50	10		GHCAHM
CC(=O)N1CCC2(CC1)N=C(c1ccccc1)C[C@H](c1cc(Cl)ccc1[O-])N2	ZINC000065297967	570787460	/nfs/dbraw/zinc/78/74/60/570787460.db2.gz	UIQJWTUJGGLAJE-HXUWFJFHSA-N	-1	3	397.906	3.908	50	10	biogenic	GHCAHM
CCOC(=O)c1c(C)oc2c1c(CN1CCN(CC)CC1)c([O-])c1ccccc21	ZINC000019863999	207169050	/nfs/dbraw/zinc/16/90/50/207169050.db2.gz	QPCFEUQBFHHPKV-UHFFFAOYSA-N	-1	3	396.487	3.914	50	10		GHCAHM
O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C/c1ccccc1[O-]	ZINC000001471537	136193257	/nfs/dbraw/zinc/19/32/57/136193257.db2.gz	XMDVTBUQVKQDLO-LDADJPATSA-N	-1	3	399.903	3.838	50	10		GHCAHM
COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(Br)cc3)C2)c([O-])c1	ZINC000005163503	570468569	/nfs/dbraw/zinc/46/85/69/570468569.db2.gz	LLEZIRBHICTNNA-KRWDZBQOSA-N	-1	3	389.249	3.861	50	10		GHCAHM
CC(=O)N1CCC2(CC1)N=C(c1ccc(C)c(C)c1)C[C@@H](c1ccccc1[O-])N2	ZINC000065297939	570787389	/nfs/dbraw/zinc/78/73/89/570787389.db2.gz	LGRHAADIXKQHOK-QFIPXVFZSA-N	-1	3	391.515	3.871	50	10	biogenic	GHCAHM
COc1ccc(NC2=NC(=O)C(=Cc3cc(OC)c([O-])c(OC)c3)S2)cc1	ZINC000008726079	206294330	/nfs/dbraw/zinc/29/43/30/206294330.db2.gz	BDNJBQHXQJKVBF-MHWRWJLKSA-N	-1	3	386.429	3.500	50	10		GHCAHM
O=C(NN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)c1ccccc1[O-]	ZINC000001236352	206370911	/nfs/dbraw/zinc/37/09/11/206370911.db2.gz	VYYXMVUCNRDQPE-ZROIWOOFSA-N	-1	3	390.873	3.592	50	10		GHCAHM
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)C(=O)[N-]C3=O)o1	ZINC000022079149	207246130	/nfs/dbraw/zinc/24/61/30/207246130.db2.gz	CBQWONJPJKUUPR-PDGQHHTCSA-N	-1	3	397.390	3.636	50	10		GHCAHM
COc1ccc2ccc([O-])c(CN3Cc4c(OC)ccc(OC)c4[C@H](O)C3)c2c1	ZINC000029543444	207364045	/nfs/dbraw/zinc/36/40/45/207364045.db2.gz	QMLZSWNIQROQSL-HXUWFJFHSA-N	-1	3	395.455	3.620	50	10		GHCAHM
CC1CCN(CC(=O)N2N=C(c3ccccc3[O-])C[C@@H]2c2cccs2)CC1	ZINC000241684830	209019717	/nfs/dbraw/zinc/01/97/17/209019717.db2.gz	QFNMTDHEZFMCNI-GOSISDBHSA-N	-1	3	383.517	3.863	50	10		GHCAHM
COc1ccc(C2=NN(C(C)=O)[C@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000005044012	570405309	/nfs/dbraw/zinc/40/53/09/570405309.db2.gz	AFYOJVLGKVDXRY-KRWDZBQOSA-N	-1	3	389.249	3.861	50	10		GHCAHM
CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc([O-])c(CN3CCOCC3)c21	ZINC000038626652	570580829	/nfs/dbraw/zinc/58/08/29/570580829.db2.gz	RMSLEELMEORVED-UHFFFAOYSA-N	-1	3	394.471	3.653	50	10		GHCAHM
O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccccc1[O-]	ZINC000004536613	570847183	/nfs/dbraw/zinc/84/71/83/570847183.db2.gz	JPKJEDAPALOKGZ-RVDMUPIBSA-N	-1	3	388.470	3.605	50	10		GHCAHM
CCN(CC)Cc1c([O-])ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc21	ZINC000020358357	206296615	/nfs/dbraw/zinc/29/66/15/206296615.db2.gz	GQPQCJXHGVLEOY-UHFFFAOYSA-N	-1	3	381.428	3.779	50	10	biogenic	GHCAHM
[O-]c1cc2c(cc1[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)OCO2	ZINC000019358635	207117626	/nfs/dbraw/zinc/11/76/26/207117626.db2.gz	AWQPMEGCCWPTRI-SFHVURJKSA-N	-1	3	381.350	3.561	50	10		GHCAHM
[O-]c1cc2c(cc1[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)OCO2	ZINC000019358636	207118300	/nfs/dbraw/zinc/11/83/00/207118300.db2.gz	AWQPMEGCCWPTRI-GOSISDBHSA-N	-1	3	381.350	3.561	50	10		GHCAHM
COc1ccc(NC(=O)c2c(C)oc3ccc([O-])c(CN4CCOCC4)c32)cc1	ZINC000019793997	207162297	/nfs/dbraw/zinc/16/22/97/207162297.db2.gz	DESBBNDVNHDBLM-UHFFFAOYSA-N	-1	3	396.443	3.540	50	10		GHCAHM
COc1ccc([C@H]2CC(c3ccccc3[O-])=NN2C(=O)c2ccco2)c(OC)c1	ZINC000089434783	208105169	/nfs/dbraw/zinc/10/51/69/208105169.db2.gz	MFJBFMGBOWFOOG-GOSISDBHSA-N	-1	3	392.411	3.994	50	10		GHCAHM
CNC(=O)Cc1nc(CN(Cc2ccccc2[O-])[C@H](C)c2ccccc2)cs1	ZINC000095451559	208182910	/nfs/dbraw/zinc/18/29/10/208182910.db2.gz	PWKLVEPACOWFLY-MRXNPFEDSA-N	-1	3	395.528	3.901	50	10		GHCAHM
CCOC(=O)NCCC(=O)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000048678476	570253659	/nfs/dbraw/zinc/25/36/59/570253659.db2.gz	PEWDFMWXNORKML-QFIPXVFZSA-N	-1	3	392.455	3.887	50	10		GHCAHM
O=C([N-]N1C(=O)/C(=C\c2cccs2)SC1=S)c1ccccc1Cl	ZINC000006132909	570276150	/nfs/dbraw/zinc/27/61/50/570276150.db2.gz	QEXVKIONJYLVAK-XYOKQWHBSA-N	-1	3	380.903	3.948	50	10		GHCAHM
O=C([N-]N1C(=O)/C(=C/c2cccs2)SC1=S)c1ccc(F)c(F)c1	ZINC000003267536	570955702	/nfs/dbraw/zinc/95/57/02/570955702.db2.gz	MEGUWCCBEJSBKH-GHXNOFRVSA-N	-1	3	382.438	3.573	50	10		GHCAHM
Cc1c([O-])c(CN(C)C)cc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc12	ZINC000004531307	570382400	/nfs/dbraw/zinc/38/24/00/570382400.db2.gz	CKHNSMOSKONTRL-UHFFFAOYSA-N	-1	3	375.428	3.721	50	10		GHCAHM
O=C(Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O)[C@@H]1C[C@@H]1c1ccccc1	ZINC000005003653	209122583	/nfs/dbraw/zinc/12/25/83/209122583.db2.gz	RALBSMPFIOXCGQ-IAGOWNOFSA-N	-1	3	384.387	3.877	50	10		GHCAHM
COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc([O-])cc3O)c2C)cc1	ZINC000006534613	570469759	/nfs/dbraw/zinc/46/97/59/570469759.db2.gz	KMJLJIUOISIIGY-UHFFFAOYSA-N	-1	3	395.411	3.554	50	10		GHCAHM
CCOc1ccc(N(C(C)=O)C2=NC(=O)/C(=C\c3ccccc3[O-])S2)cc1	ZINC000005900156	570802099	/nfs/dbraw/zinc/80/20/99/570802099.db2.gz	KZPQLWOUDZSXFG-LDADJPATSA-N	-1	3	382.441	3.814	50	10		GHCAHM
CCCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)ccc3[O-])C2=N)S1	ZINC000104379726	570900092	/nfs/dbraw/zinc/90/00/92/570900092.db2.gz	LKJJDLWQRNREAT-DNKAYRMDSA-N	-1	3	393.266	3.574	50	10		GHCAHM
CCc1cc(=O)oc2c1ccc([O-])c2CN1CCc2cc(OC)c(OC)cc2C1	ZINC000170625298	570882153	/nfs/dbraw/zinc/88/21/53/570882153.db2.gz	ZXVWPQWIBGYAGE-UHFFFAOYSA-N	-1	3	395.455	3.637	50	10	biogenic	GHCAHM
CCN1CCN(Cc2c([O-])ccc3cc(-c4ccc(Cl)cc4)c(=O)oc32)CC1	ZINC000020605107	206297402	/nfs/dbraw/zinc/29/74/02/206297402.db2.gz	WPLMWXVNWMUXQH-UHFFFAOYSA-N	-1	3	398.890	3.957	50	10		GHCAHM
COc1ccc([C@@H](NC(C)=O)c2cc(Cl)c3cccnc3c2[O-])cc1OC	ZINC000000869263	206329502	/nfs/dbraw/zinc/32/95/02/206329502.db2.gz	YJRRXUGZZNAGQS-GOSISDBHSA-N	-1	3	386.835	3.837	50	10		GHCAHM
[O-]c1ccc(F)cc1C1=NN[C@H](c2cc(Br)cc3c2OCOC3)C1	ZINC000001504464	206384386	/nfs/dbraw/zinc/38/43/86/206384386.db2.gz	SNLYBWVQESYLOP-HNNXBMFYSA-N	-1	3	393.212	3.599	50	10		GHCAHM
Cc1ccc(Cl)cc1N1CCN(Cc2c([O-])ccc3ccc(=O)oc32)CC1	ZINC000015833983	207064104	/nfs/dbraw/zinc/06/41/04/207064104.db2.gz	VGXORXAOJZGIFM-UHFFFAOYSA-N	-1	3	384.863	3.783	50	10		GHCAHM
CN1CCN(Cc2c3c(ccc2[O-])occ3C(=O)c2ccc(Cl)cc2)CC1	ZINC000105090118	570424824	/nfs/dbraw/zinc/42/48/24/570424824.db2.gz	PMSXGZGYATWSFW-UHFFFAOYSA-N	-1	3	384.863	3.770	50	10		GHCAHM
COc1ccc(CC(=O)c2ccc([O-])c(C[N@@H+]3CCCC[C@@H]3C)c2[O-])cc1OC	ZINC000023135318	209238259	/nfs/dbraw/zinc/23/82/59/209238259.db2.gz	DLJDTWLGKBTGRS-HNNXBMFYSA-N	-1	3	399.487	3.915	50	10	biogenic	GHCAHM
COc1ccc(CC(=O)c2ccc([O-])c(C[N@H+]3CCCC[C@@H]3C)c2[O-])cc1OC	ZINC000023135318	209238265	/nfs/dbraw/zinc/23/82/65/209238265.db2.gz	DLJDTWLGKBTGRS-HNNXBMFYSA-N	-1	3	399.487	3.915	50	10	biogenic	GHCAHM
CCC(=Nc1ccc(OC)cc1)c1c(CC(=O)OC)[n-]n(-c2ccccc2)c1=O	ZINC000019894231	210306527	/nfs/dbraw/zinc/30/65/27/210306527.db2.gz	JGHMNQJURHIIEG-DYTRJAOYSA-N	-1	3	393.443	3.737	50	10		GHCAHM
CCOC(=O)[C@@H]1CCCCN1Cc1cc(-c2cc(OC)ccc2OC)ccc1[O-]	ZINC000012127790	221155958	/nfs/dbraw/zinc/15/59/58/221155958.db2.gz	WJHNBSWMDAJKBB-FQEVSTJZSA-N	-1	3	399.487	3.994	50	10		GHCAHM
CN1CCN(Cc2cc(CSc3ccccc3)c3cccnc3c2[O-])CC1	ZINC000022147598	570538367	/nfs/dbraw/zinc/53/83/67/570538367.db2.gz	HCZHQNCCRKYOGR-UHFFFAOYSA-N	-1	3	379.529	3.980	50	10		GHCAHM
O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C\c1ccccc1[O-]	ZINC000013547861	210067095	/nfs/dbraw/zinc/06/70/95/210067095.db2.gz	XMDVTBUQVKQDLO-PDGQHHTCSA-N	-1	3	399.903	3.838	50	10		GHCAHM
COc1ccc([C@@H](NC(=O)C(C)C)c2ccc3cccnc3c2[O-])cc1OC	ZINC000002873351	209393617	/nfs/dbraw/zinc/39/36/17/209393617.db2.gz	GUGKZZCJXZJTGZ-LJQANCHMSA-N	-1	3	380.444	3.819	50	10	biogenic	GHCAHM
O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C/c1ccc([O-])cc1	ZINC000001471539	209330758	/nfs/dbraw/zinc/33/07/58/209330758.db2.gz	QGYVLCDPPVZLAJ-QGOAFFKASA-N	-1	3	399.903	3.838	50	10		GHCAHM
CCN1CCN([C@H](c2ccccn2)c2cc(Cl)c3cccnc3c2[O-])CC1	ZINC000022860765	570331869	/nfs/dbraw/zinc/33/18/69/570331869.db2.gz	VVUDRIJJENVYNV-FQEVSTJZSA-N	-1	3	382.895	3.716	50	10		GHCAHM
COc1ccc([C@H](c2ccc3c(OC)cccc3c2[O-])N2CCN(C)CC2)cc1	ZINC000022935327	570338131	/nfs/dbraw/zinc/33/81/31/570338131.db2.gz	SHGIENHXAMWUBU-HSZRJFAPSA-N	-1	3	392.499	3.899	50	10		GHCAHM
COc1cc2c(cc1OC)CN(Cc1cc(Br)ccc1[O-])CC2	ZINC000004988964	843231910	/nfs/dbraw/zinc/23/19/10/843231910.db2.gz	OXFXWAARWGCHIQ-UHFFFAOYSA-N	-1	3	378.266	3.730	50	10		GHCAHM
COc1ccc([C@H](c2ccc3c(OC)cccc3c2[O-])N2CCOCC2)cc1	ZINC000013656365	210075502	/nfs/dbraw/zinc/07/55/02/210075502.db2.gz	WYADEYJOPGIMNZ-JOCHJYFZSA-N	-1	3	379.456	3.984	50	10		GHCAHM
CCc1c(C)c2ccc([O-])c(CN3CCN(c4ccc(F)cc4)CC3)c2oc1=O	ZINC000058104625	136154314	/nfs/dbraw/zinc/15/43/14/136154314.db2.gz	LFEDNUZCZMMIRE-UHFFFAOYSA-N	-1	3	396.462	3.831	50	10		GHCAHM
COc1ccc([C@@H](c2ccc3c(OC)cccc3c2[O-])N2CCOCC2)cc1	ZINC000013656368	210075630	/nfs/dbraw/zinc/07/56/30/210075630.db2.gz	WYADEYJOPGIMNZ-QFIPXVFZSA-N	-1	3	379.456	3.984	50	10		GHCAHM
CC(=Nc1ccc(Cn2cncn2)cc1)c1c(C)[n-]n(-c2ccc(F)cc2)c1=O	ZINC000100422621	211386254	/nfs/dbraw/zinc/38/62/54/211386254.db2.gz	MBPVUZUUZUVINT-ZHZULCJRSA-N	-1	3	390.422	3.574	50	10		GHCAHM
COc1cc2c(cc1OC)[C@@H](c1cc(Br)ccc1[O-])N(C)CC2	ZINC000006667463	570487200	/nfs/dbraw/zinc/48/72/00/570487200.db2.gz	JEOKXNLJLFGKND-SFHVURJKSA-N	-1	3	378.266	3.749	50	10		GHCAHM
CCc1cc(=O)oc2c(C)c([O-])c(CN3CCN(c4ccccc4)CC3)cc12	ZINC000008743326	570539484	/nfs/dbraw/zinc/53/94/84/570539484.db2.gz	WCTXHFPIUHJVLS-UHFFFAOYSA-N	-1	3	378.472	3.692	50	10		GHCAHM
CCOc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000064688572	570519700	/nfs/dbraw/zinc/51/97/00/570519700.db2.gz	XQNNNVIQVUOPDU-LJQANCHMSA-N	-1	3	393.487	3.756	50	10		GHCAHM
CCOc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccccc3[O-])C[C@@H]21	ZINC000064688573	570520034	/nfs/dbraw/zinc/52/00/34/570520034.db2.gz	XQNNNVIQVUOPDU-IBGZPJMESA-N	-1	3	393.487	3.756	50	10		GHCAHM
Cc1[n-]n(-c2cccc3ccccc32)c(=O)c1C=Nc1ccc2[nH]c(=O)[nH]c2c1	ZINC000017885128	210212004	/nfs/dbraw/zinc/21/20/04/210212004.db2.gz	DGRDQCHLFHIKGP-ATVHPVEESA-N	-1	3	383.411	3.728	50	10		GHCAHM
COc1ccc(CC(=O)c2ccc([O-])c(C[NH+]3CCCCC3)c2[O-])cc1OC	ZINC000023135303	209238627	/nfs/dbraw/zinc/23/86/27/209238627.db2.gz	PAYSATHYCYWPRN-UHFFFAOYSA-N	-1	3	385.460	3.526	50	10	biogenic	GHCAHM
CC(=C\c1ccccc1)/C=C1\SC(=S)N(NC(=O)c2ccccc2[O-])C1=O	ZINC000005024702	570399324	/nfs/dbraw/zinc/39/93/24/570399324.db2.gz	JWKNOIAQZANLBH-YMGXUNRSSA-N	-1	3	396.493	3.885	50	10		GHCAHM
CC(=O)N1CCC2(CC1)N=C(c1ccc(C)cc1)C[C@H](c1ccccc1[O-])N2	ZINC000065297875	570787495	/nfs/dbraw/zinc/78/74/95/570787495.db2.gz	NDUODOFSLBBQEN-OAQYLSRUSA-N	-1	3	377.488	3.563	50	10	biogenic	GHCAHM
O=C([N-]N1C(=O)/C(=C/c2cccc(O)c2)SC1=S)c1ccccc1Cl	ZINC000001214338	209314919	/nfs/dbraw/zinc/31/49/19/209314919.db2.gz	PGTAXGJPLRKTMC-ZROIWOOFSA-N	-1	3	390.873	3.592	50	10		GHCAHM
CCOC(=O)C=c1[n-]n(-c2ccccc2)c(=O)c1=CC=Cc1ccccc1OC	ZINC000100218596	211384564	/nfs/dbraw/zinc/38/45/64/211384564.db2.gz	OQGHCYIYVPRSQF-AFYXKLSTSA-N	-1	3	390.439	3.991	50	10		GHCAHM
COc1ccc([C@@H]2CC(c3cc(Br)ccc3[O-])=NN2C(C)=O)cc1	ZINC000097104969	211356627	/nfs/dbraw/zinc/35/66/27/211356627.db2.gz	PWARDDMHUPFRJP-KRWDZBQOSA-N	-1	3	389.249	3.861	50	10		GHCAHM
COc1cc2c(cc1OC)CN(Cc1c([O-])ccc3c(C)c(C)c(=O)oc31)CC2	ZINC000085876796	211178106	/nfs/dbraw/zinc/17/81/06/211178106.db2.gz	HWIRARWBCYMOHO-UHFFFAOYSA-N	-1	3	395.455	3.691	50	10	biogenic	GHCAHM
Cc1oc2ccc([O-])c(CN3CCN(C)CC3)c2c1C(=O)Nc1ccccc1C	ZINC000019794017	210297982	/nfs/dbraw/zinc/29/79/82/210297982.db2.gz	AHMQDXJZWIDGGL-UHFFFAOYSA-N	-1	3	393.487	3.755	50	10		GHCAHM
O=C([N-]N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)c1ccccc1Cl	ZINC000001216448	209314446	/nfs/dbraw/zinc/31/44/46/209314446.db2.gz	MDIKVIAGMVIASR-ZROIWOOFSA-N	-1	3	390.873	3.592	50	10		GHCAHM
CCOCc1cc(CN2CCN(c3ccccc3)CC2)c([O-])c2ncccc12	ZINC000006804061	570606253	/nfs/dbraw/zinc/60/62/53/570606253.db2.gz	WDPRNPALAYHODZ-UHFFFAOYSA-N	-1	3	377.488	3.799	50	10		GHCAHM
Cc1cc([O-])c(CN2CCN(c3ccc(F)cc3)CC2)c2oc(=O)cc(C)c12	ZINC000008587314	856275436	/nfs/dbraw/zinc/27/54/36/856275436.db2.gz	BMDBQRSHFAJNSU-UHFFFAOYSA-N	-1	3	382.435	3.577	50	10		GHCAHM
CCOC(=O)N1CCN(Cc2c([O-])ccc3cc(Br)ccc32)CC1	ZINC000012812754	210015433	/nfs/dbraw/zinc/01/54/33/210015433.db2.gz	KLBHVEKZQWRIAX-UHFFFAOYSA-N	-1	3	393.281	3.582	50	10		GHCAHM
O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C/c1ccccc1[O-]	ZINC000001181406	570255566	/nfs/dbraw/zinc/25/55/66/570255566.db2.gz	JYDBPVVIJPREKM-QGOAFFKASA-N	-1	3	399.903	3.838	50	10		GHCAHM
CC(=C\c1ccccc1)/C=C1/SC(=S)N([N-]C(=O)c2cccnc2)C1=O	ZINC000005376127	570569316	/nfs/dbraw/zinc/56/93/16/570569316.db2.gz	HKSSAIYIDJUMME-WFVPKAAFSA-N	-1	3	381.482	3.574	50	10		GHCAHM
COc1ccc2ccc([O-])c(CN3CCCc4ccc(S(C)(=O)=O)cc43)c2c1	ZINC000083970359	570985777	/nfs/dbraw/zinc/98/57/77/570985777.db2.gz	OZNLLWCLUJKRHS-UHFFFAOYSA-N	-1	3	397.496	3.910	50	10		GHCAHM
CCn1ccc([C@@H]2CC(c3ccccc3[O-])=NN2c2ccc([N+](=O)[O-])cc2)n1	ZINC000071785144	211063262	/nfs/dbraw/zinc/06/32/62/211063262.db2.gz	YXCSVAJGCHDPAR-IBGZPJMESA-N	-1	3	377.404	3.873	50	10		GHCAHM
Cc1ccc(C2=NN[C@@H](c3cc(Br)cc4c3OCOC4)C2)c([O-])c1	ZINC000026534201	209243894	/nfs/dbraw/zinc/24/38/94/209243894.db2.gz	JOAJTMIMLQOPTE-MRXNPFEDSA-N	-1	3	389.249	3.768	50	10		GHCAHM
O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccccc1[O-]	ZINC000001311753	211503657	/nfs/dbraw/zinc/50/36/57/211503657.db2.gz	JPKJEDAPALOKGZ-PTNGSMBKSA-N	-1	3	388.470	3.605	50	10		GHCAHM
COc1ccc2ccc([O-])c(CN3Cc4c(OC)ccc(OC)c4[C@@H](O)C3)c2c1	ZINC000029543446	570475870	/nfs/dbraw/zinc/47/58/70/570475870.db2.gz	QMLZSWNIQROQSL-FQEVSTJZSA-N	-1	3	395.455	3.620	50	10		GHCAHM
COc1ccc2ccc([O-])c(CN3CCCc4c3cccc4S(C)(=O)=O)c2c1	ZINC000083970385	570985756	/nfs/dbraw/zinc/98/57/56/570985756.db2.gz	WGMVREGKEJTCJG-UHFFFAOYSA-N	-1	3	397.496	3.910	50	10		GHCAHM
CCOc1ccccc1N1CCN(Cc2cc(Br)ccc2[O-])CC1	ZINC000004980436	843189511	/nfs/dbraw/zinc/18/95/11/843189511.db2.gz	UCAPMRQYMUPNRB-UHFFFAOYSA-N	-1	3	391.309	3.876	50	10		GHCAHM
Cc1oc2ccc([O-])c(CN3CCOCC3)c2c1C(=O)Nc1ccccc1C	ZINC000019794002	860369888	/nfs/dbraw/zinc/36/98/88/860369888.db2.gz	AWGUHFTVPZLZPB-UHFFFAOYSA-N	-1	3	380.444	3.840	50	10		GHCAHM
CC(C)c1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccncc3)C2=O)cc1	ZINC000001449331	209329201	/nfs/dbraw/zinc/32/92/01/209329201.db2.gz	SAAPBCCVGRFCDF-WJDWOHSUSA-N	-1	3	383.498	3.751	50	10		GHCAHM
O=C(NN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)c1cccc([O-])c1	ZINC000001002931	209287947	/nfs/dbraw/zinc/28/79/47/209287947.db2.gz	AWQLVRUBJQMSOX-ZSOIEALJSA-N	-1	3	390.873	3.592	50	10		GHCAHM
[O-]c1ccccc1[C@H]1c2[nH]cnc2CCN1Cc1c[nH]nc1-c1ccc(F)cc1	ZINC000067934811	211028412	/nfs/dbraw/zinc/02/84/12/211028412.db2.gz	QMELLOGBBQXORY-QFIPXVFZSA-N	-1	3	389.434	3.792	50	10		GHCAHM
N=C1/C(=C/c2ccc([O-])cc2)C(=O)N=C2SC(c3ccccc3Cl)=NN21	ZINC000004489293	570378395	/nfs/dbraw/zinc/37/83/95/570378395.db2.gz	HHCWEYBMOXKZCO-HJDDMPKESA-N	-1	3	382.832	3.713	50	10		GHCAHM
COc1cc(OC)cc([C@@H]2CC(c3ccccc3[O-])=NN2C(=O)c2ccco2)c1	ZINC000225496074	570580262	/nfs/dbraw/zinc/58/02/62/570580262.db2.gz	GWLNWFIJSMSBIF-IBGZPJMESA-N	-1	3	392.411	3.994	50	10		GHCAHM
[O-]c1ccc(Br)cc1CN1CCN(Cc2ccccc2F)CC1	ZINC000019361423	210243018	/nfs/dbraw/zinc/24/30/18/210243018.db2.gz	VYLKGWBVAXYTBV-UHFFFAOYSA-N	-1	3	379.273	3.612	50	10		GHCAHM
COc1ccc([C@H]2CC(c3cc(Br)ccc3[O-])=NN2)c(OC)c1	ZINC000001447889	209227498	/nfs/dbraw/zinc/22/74/98/209227498.db2.gz	OECQBOVEWWUFTE-CQSZACIVSA-N	-1	3	377.238	3.611	50	10		GHCAHM
COc1ccc(-c2cc(=O)oc3c2ccc([O-])c3CNCc2ccccn2)cc1	ZINC000005427108	523088935	/nfs/dbraw/zinc/08/89/35/523088935.db2.gz	ZXZAHVWVYNTDAX-UHFFFAOYSA-N	-1	3	388.423	3.859	50	10		GHCAHM
COC(=O)c1[n-]c2ccccc2c1/N=N/N1CCN(c2ccccc2F)CC1	ZINC000002262717	209353818	/nfs/dbraw/zinc/35/38/18/209353818.db2.gz	ADNMEAVQGGXBJC-WCWDXBQESA-N	-1	3	381.411	3.915	50	10		GHCAHM
CN1CCN(Cc2c([O-])ccc3cc(-c4ccc(Cl)cc4)c(=O)oc32)CC1	ZINC000020426509	209235295	/nfs/dbraw/zinc/23/52/95/209235295.db2.gz	RKMPYXMVYPFPJJ-UHFFFAOYSA-N	-1	3	384.863	3.566	50	10		GHCAHM
COc1ccc([C@@H]2CC(c3cc(Br)ccc3[O-])=NN2)cc1OC	ZINC000001463806	209227816	/nfs/dbraw/zinc/22/78/16/209227816.db2.gz	PVYDRMXIVHTQDK-ZDUSSCGKSA-N	-1	3	377.238	3.611	50	10		GHCAHM
COc1ccc([C@@H](c2c([O-])ccc3ccccc32)N2CCOCC2)c(OC)c1	ZINC000019925597	210306724	/nfs/dbraw/zinc/30/67/24/210306724.db2.gz	MCQQTDAWUXZMTO-QHCPKHFHSA-N	-1	3	379.456	3.984	50	10		GHCAHM
CCOc1c([O-])ccc(/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)c1[N+](=O)[O-]	ZINC000013914372	221293485	/nfs/dbraw/zinc/29/34/85/221293485.db2.gz	SJAAGLUIKSJTCU-WJDWOHSUSA-N	-1	3	381.388	3.814	50	10		GHCAHM
O=C(Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O)[C@@H]1C[C@H]1c1ccccc1	ZINC000005003652	570994717	/nfs/dbraw/zinc/99/47/17/570994717.db2.gz	RALBSMPFIOXCGQ-DLBZAZTESA-N	-1	3	384.387	3.877	50	10		GHCAHM
Cc1ccc(C2=NN[C@H](c3cc(Br)cc4c3OCOC4)C2)c([O-])c1	ZINC000026534205	212158783	/nfs/dbraw/zinc/15/87/83/212158783.db2.gz	JOAJTMIMLQOPTE-INIZCTEOSA-N	-1	3	389.249	3.768	50	10		GHCAHM
Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3[O-])C2=O)cc1	ZINC000016739212	221369767	/nfs/dbraw/zinc/36/97/67/221369767.db2.gz	DUKKKAKUOKSVGI-YBEGLDIGSA-N	-1	3	384.482	3.541	50	10		GHCAHM
[O-]c1ccc(Br)cc1CN1CCN(Cc2ccc(F)cc2)CC1	ZINC000019364177	570979765	/nfs/dbraw/zinc/97/97/65/570979765.db2.gz	JRARTRMJEQCXOK-UHFFFAOYSA-N	-1	3	379.273	3.612	50	10		GHCAHM
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Br)c1[O-]	ZINC000017242067	221381725	/nfs/dbraw/zinc/38/17/25/221381725.db2.gz	IVQPKLDOZSUSJC-ZSOIEALJSA-N	-1	3	387.233	3.969	50	10		GHCAHM
[O-]c1ccccc1CN(Cc1noc(Cc2ccccc2)n1)C[C@H]1CCCO1	ZINC000095957568	222363713	/nfs/dbraw/zinc/36/37/13/222363713.db2.gz	UTVXQZCUSOPLKM-LJQANCHMSA-N	-1	3	379.460	3.547	50	10		GHCAHM
COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000005044013	570405289	/nfs/dbraw/zinc/40/52/89/570405289.db2.gz	AFYOJVLGKVDXRY-QGZVFWFLSA-N	-1	3	389.249	3.861	50	10		GHCAHM
COC(=O)c1ccc([C@@H](c2c([O-])ccc3ccccc32)N2CCOCC2)cc1	ZINC000025561819	570416061	/nfs/dbraw/zinc/41/60/61/570416061.db2.gz	YMCQRYCRSDWBJA-QFIPXVFZSA-N	-1	3	377.440	3.754	50	10		GHCAHM
COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(Br)cc3)C2)c([O-])c1	ZINC000005163506	570468804	/nfs/dbraw/zinc/46/88/04/570468804.db2.gz	LLEZIRBHICTNNA-QGZVFWFLSA-N	-1	3	389.249	3.861	50	10		GHCAHM
O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C\c1ccc([O-])cc1	ZINC000001471541	212247990	/nfs/dbraw/zinc/24/79/90/212247990.db2.gz	QGDATRCKKBGLBA-PDGQHHTCSA-N	-1	3	399.903	3.838	50	10		GHCAHM
O=c1c(-c2ccc3c(c2)OCCO3)coc2c1ccc([O-])c2CN1CCCC1	ZINC000020461331	212152394	/nfs/dbraw/zinc/15/23/94/212152394.db2.gz	ABFOABXPWKRNOO-UHFFFAOYSA-N	-1	3	379.412	3.533	50	10	biogenic	GHCAHM
CC(C)CCN(C[C@H]1CN(Cc2ccccc2[O-])CCO1)C(=O)CC(C)C	ZINC000034686574	570295773	/nfs/dbraw/zinc/29/57/73/570295773.db2.gz	FJGVIEBHIBCRML-HXUWFJFHSA-N	-1	3	376.541	3.514	50	10		GHCAHM
COc1ccc(CC(=O)c2ccc([O-])c(C[NH+]3CCC(C)CC3)c2[O-])cc1OC	ZINC000023135346	212154391	/nfs/dbraw/zinc/15/43/91/212154391.db2.gz	KLQYUQMDIHPNTI-UHFFFAOYSA-N	-1	3	399.487	3.772	50	10	biogenic	GHCAHM
COc1ccc(-c2cc(=O)oc3c2ccc([O-])c3CNCc2ccncc2)cc1	ZINC000005427331	570590186	/nfs/dbraw/zinc/59/01/86/570590186.db2.gz	RFKAAMFTDKQZOS-UHFFFAOYSA-N	-1	3	388.423	3.859	50	10		GHCAHM
O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C/c1ccc([O-])cc1	ZINC000013534459	221271449	/nfs/dbraw/zinc/27/14/49/221271449.db2.gz	QGDATRCKKBGLBA-LDADJPATSA-N	-1	3	399.903	3.838	50	10		GHCAHM
[O-]c1c([C@H](c2ccccn2)N2CCN(c3ccccn3)CC2)ccc2cccnc21	ZINC000004247747	136196701	/nfs/dbraw/zinc/19/67/01/136196701.db2.gz	OZSANKKZTCLFJI-HSZRJFAPSA-N	-1	3	397.482	3.642	50	10		GHCAHM
CC(=O)N1CCC2(CC1)N=C(c1ccccc1)C[C@@H](c1cc(Cl)ccc1[O-])N2	ZINC000065297966	222122346	/nfs/dbraw/zinc/12/23/46/222122346.db2.gz	UIQJWTUJGGLAJE-FQEVSTJZSA-N	-1	3	397.906	3.908	50	10	biogenic	GHCAHM
CCN1CCN([C@@H](c2ccccn2)c2cc(Cl)c3cccnc3c2[O-])CC1	ZINC000022860761	570332178	/nfs/dbraw/zinc/33/21/78/570332178.db2.gz	VVUDRIJJENVYNV-HXUWFJFHSA-N	-1	3	382.895	3.716	50	10		GHCAHM
CCN(Cc1cc(Br)ccc1[O-])c1ncncc1Br	ZINC000089969250	570922624	/nfs/dbraw/zinc/92/26/24/570922624.db2.gz	RRZVEYFJHDQSEF-UHFFFAOYSA-N	-1	3	387.075	3.734	50	10		GHCAHM
Cc1c(NCc2cc(Br)ccc2[O-])c(=O)n(-c2ccccc2)n1C	ZINC000001175262	212226072	/nfs/dbraw/zinc/22/60/72/212226072.db2.gz	SCWXUMKLFWHDSP-UHFFFAOYSA-N	-1	3	388.265	3.565	50	10		GHCAHM
O=C([N-]c1cccc2c1C(=O)c1ccccc1C2=O)c1ccc([N+](=O)[O-])s1	ZINC000005504812	570615249	/nfs/dbraw/zinc/61/52/49/570615249.db2.gz	QANQOVQLZMIZQX-UHFFFAOYSA-N	-1	3	378.365	3.684	50	10		GHCAHM
CCN1CCN(Cc2c([O-])ccc3c(C)c(-c4ccccc4)c(=O)oc32)CC1	ZINC000020605104	212150886	/nfs/dbraw/zinc/15/08/86/212150886.db2.gz	AFVLEMHAUDMXRL-UHFFFAOYSA-N	-1	3	378.472	3.612	50	10		GHCAHM
CCc1cc2c(C)cc(=O)oc2c(CN(C)Cc2ccc3c(c2)OCCO3)c1[O-]	ZINC000012972037	221250513	/nfs/dbraw/zinc/25/05/13/221250513.db2.gz	STTRENAYTQXANX-UHFFFAOYSA-N	-1	3	395.455	3.773	50	10		GHCAHM
CCN1CCN([C@H](c2cccnc2)c2cc(Cl)c3cccnc3c2[O-])CC1	ZINC000021486915	221532287	/nfs/dbraw/zinc/53/22/87/221532287.db2.gz	XAFSFXYJOJWLJD-HXUWFJFHSA-N	-1	3	382.895	3.716	50	10		GHCAHM
CCOC(=O)NCCC(=O)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000048678477	570253783	/nfs/dbraw/zinc/25/37/83/570253783.db2.gz	PEWDFMWXNORKML-JOCHJYFZSA-N	-1	3	392.455	3.887	50	10		GHCAHM
CC(C)CCN(C[C@@H]1CN(Cc2ccccc2[O-])CCO1)C(=O)CC(C)C	ZINC000034686573	570295657	/nfs/dbraw/zinc/29/56/57/570295657.db2.gz	FJGVIEBHIBCRML-FQEVSTJZSA-N	-1	3	376.541	3.514	50	10		GHCAHM
[O-]c1ccc(Cl)cc1CN1CCN(CCCc2ccccc2)[C@H](CCO)C1	ZINC000019635747	571022285	/nfs/dbraw/zinc/02/22/85/571022285.db2.gz	VJXUNKKGEDZDFP-OAQYLSRUSA-N	-1	3	388.939	3.547	50	10		GHCAHM
CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)ccc3[O-])C2=N)S1	ZINC000004489100	220720738	/nfs/dbraw/zinc/72/07/38/220720738.db2.gz	LKJJDLWQRNREAT-XQVAPKGHSA-N	-1	3	393.266	3.574	50	10		GHCAHM
CCOc1ccc(N(C(C)=O)C2=NC(=O)/C(=C/c3ccccc3[O-])S2)cc1	ZINC000000679314	570290346	/nfs/dbraw/zinc/29/03/46/570290346.db2.gz	KZPQLWOUDZSXFG-PDGQHHTCSA-N	-1	3	382.441	3.814	50	10		GHCAHM
CSc1ccc(C(=O)c2coc3ccc([O-])c(CN4CCN(C)CC4)c23)cc1	ZINC000218505679	570335937	/nfs/dbraw/zinc/33/59/37/570335937.db2.gz	KRYSOOHNAWQKDV-UHFFFAOYSA-N	-1	3	396.512	3.839	50	10		GHCAHM
N=C1/C(=C\c2ccc([O-])cc2)C(=O)N=C2SC(c3ccccc3Cl)=NN21	ZINC000026608362	570389859	/nfs/dbraw/zinc/38/98/59/570389859.db2.gz	HHCWEYBMOXKZCO-FZKGXIISSA-N	-1	3	382.832	3.713	50	10		GHCAHM
CN1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2[O-])N3)C1	ZINC000006732674	570557768	/nfs/dbraw/zinc/55/77/68/570557768.db2.gz	JROGYPQNSRRQEU-CQSZACIVSA-N	-1	3	394.294	3.633	50	10		GHCAHM
COc1ccc([C@H](c2c([O-])ccc3ccccc32)N2CCOCC2)c(OC)c1	ZINC000019925595	570230158	/nfs/dbraw/zinc/23/01/58/570230158.db2.gz	MCQQTDAWUXZMTO-HSZRJFAPSA-N	-1	3	379.456	3.984	50	10		GHCAHM
O=C(Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O)[C@H]1C[C@@H]1c1ccccc1	ZINC000005003651	220810432	/nfs/dbraw/zinc/81/04/32/220810432.db2.gz	RALBSMPFIOXCGQ-SJORKVTESA-N	-1	3	384.387	3.877	50	10		GHCAHM
[O-]c1ccccc1CN(Cc1noc(Cc2ccccc2)n1)C[C@@H]1CCCO1	ZINC000095957567	222364607	/nfs/dbraw/zinc/36/46/07/222364607.db2.gz	UTVXQZCUSOPLKM-IBGZPJMESA-N	-1	3	379.460	3.547	50	10		GHCAHM
[O-]c1cc2c(cc1[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)OCO2	ZINC000020745067	570279065	/nfs/dbraw/zinc/27/90/65/570279065.db2.gz	RSRXHKPLBDWUTH-GOSISDBHSA-N	-1	3	382.243	3.849	50	10		GHCAHM
COc1ccc([C@@H]2CC(c3cc(Br)ccc3[O-])=NN2)c(OC)c1	ZINC000001447890	212143802	/nfs/dbraw/zinc/14/38/02/212143802.db2.gz	OECQBOVEWWUFTE-AWEZNQCLSA-N	-1	3	377.238	3.611	50	10		GHCAHM
COc1cccc2c([O-])c([C@@H](c3ccccc3OC)N3CCOCC3)ccc12	ZINC000020625046	570273218	/nfs/dbraw/zinc/27/32/18/570273218.db2.gz	DYHRMNRAJQLQAP-JOCHJYFZSA-N	-1	3	379.456	3.984	50	10		GHCAHM
CCCCC1(C)OC(=O)C(=Cc2cc(Br)c([O-])c(OC)c2)C(=O)O1	ZINC000002968658	570320704	/nfs/dbraw/zinc/32/07/04/570320704.db2.gz	OASSSMLGHOKMPX-UHFFFAOYSA-N	-1	3	399.237	3.553	50	10		GHCAHM
O=C(CSc1nc2ccccc2[nH]1)NCc1cc(Cl)c2cccnc2c1[O-]	ZINC000012360105	570645532	/nfs/dbraw/zinc/64/55/32/570645532.db2.gz	LMWXXMPKGSEJBN-UHFFFAOYSA-N	-1	3	398.875	3.879	50	10		GHCAHM
COc1ccc2c3c(n(-c4cccc([O-])c4)c(=O)c2c1OC)-c1ccccc1C3=O	ZINC000824764618	864136814	/nfs/dbraw/zinc/13/68/14/864136814.db2.gz	MZXKDCIZXKMACW-UHFFFAOYSA-N	-1	3	399.402	3.925	50	10		GHCAHM
COc1cc(OC)cc([C@H]2CC(c3ccccc3[O-])=NN2C(=O)c2ccco2)c1	ZINC000225496110	222680146	/nfs/dbraw/zinc/68/01/46/222680146.db2.gz	GWLNWFIJSMSBIF-LJQANCHMSA-N	-1	3	392.411	3.994	50	10		GHCAHM
COc1ccc(CC(=O)c2ccc([O-])c(C[N@@H+]3CCCC[C@H]3C)c2[O-])cc1OC	ZINC000023135321	212154407	/nfs/dbraw/zinc/15/44/07/212154407.db2.gz	DLJDTWLGKBTGRS-OAHLLOKOSA-N	-1	3	399.487	3.915	50	10	biogenic	GHCAHM
COc1ccc(CC(=O)c2ccc([O-])c(C[N@H+]3CCCC[C@H]3C)c2[O-])cc1OC	ZINC000023135321	212154409	/nfs/dbraw/zinc/15/44/09/212154409.db2.gz	DLJDTWLGKBTGRS-OAHLLOKOSA-N	-1	3	399.487	3.915	50	10	biogenic	GHCAHM
CN1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2[O-])N3)C1	ZINC000006732672	570557261	/nfs/dbraw/zinc/55/72/61/570557261.db2.gz	JROGYPQNSRRQEU-AWEZNQCLSA-N	-1	3	394.294	3.633	50	10		GHCAHM
[O-]c1ccc(F)cc1C1=NN[C@@H](c2cc(Br)cc3c2OCOC3)C1	ZINC000001504461	212247123	/nfs/dbraw/zinc/24/71/23/212247123.db2.gz	SNLYBWVQESYLOP-OAHLLOKOSA-N	-1	3	393.212	3.599	50	10		GHCAHM
CCOC(=O)[C@H]1CCCCN1Cc1cc(-c2cc(OC)ccc2OC)ccc1[O-]	ZINC000012127800	221156175	/nfs/dbraw/zinc/15/61/75/221156175.db2.gz	WJHNBSWMDAJKBB-HXUWFJFHSA-N	-1	3	399.487	3.994	50	10		GHCAHM
N=C1/C(=C/c2ccc([O-])cc2)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN21	ZINC000005142055	570425960	/nfs/dbraw/zinc/42/59/60/570425960.db2.gz	HATYGAZSCFWNIN-ATNGQLTKSA-N	-1	3	396.859	3.907	50	10		GHCAHM