smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])cc1	ZINC000002502828	209368743	/nfs/dbraw/zinc/36/87/43/209368743.db2.gz	IPCYHANDABLLHX-QFIPXVFZSA-N	-1	3	385.467	5.244	50	10		GKCAHM
O=C(N[C@@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1[O-])c1ccccc1	ZINC000002484233	209366732	/nfs/dbraw/zinc/36/67/32/209366732.db2.gz	PPZGYQXFVDWWQZ-FQEVSTJZSA-N	-1	3	388.854	5.113	50	10		GKCAHM
CSc1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])cc1	ZINC000002470437	209366207	/nfs/dbraw/zinc/36/62/07/209366207.db2.gz	DUXHQNXWPVCNNT-OAQYLSRUSA-N	-1	3	387.508	5.567	50	10		GKCAHM
[O-]c1c([C@@H](Nc2ccccn2)c2ccc(Cl)cc2Cl)ccc2cccnc21	ZINC000002708532	209378018	/nfs/dbraw/zinc/37/80/18/209378018.db2.gz	ZQNSVWDKNCLXET-FQEVSTJZSA-N	-1	3	396.277	5.844	50	10		GKCAHM
O=C(N[C@H](c1ccc(Cl)cc1)c1c([O-])ccc2ccccc21)c1ccccc1	ZINC000002063573	209344957	/nfs/dbraw/zinc/34/49/57/209344957.db2.gz	UXSDXPQORHVTIJ-HSZRJFAPSA-N	-1	3	387.866	5.718	50	10	aggregator	GKCAHM
COc1ccc(Cl)cc1[C@H](Nc1cccnc1)c1ccc2cccnc2c1[O-]	ZINC000001065640	209294953	/nfs/dbraw/zinc/29/49/53/209294953.db2.gz	VNEQQSPGASKCDG-OAQYLSRUSA-N	-1	3	391.858	5.199	50	10		GKCAHM
CCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000801096	209266803	/nfs/dbraw/zinc/26/68/03/209266803.db2.gz	VTPUBOAPEQSTFS-SFHVURJKSA-N	-1	3	389.282	5.253	50	10		GKCAHM
Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(C(C)(C)C)cc3)c([O-])c2n1	ZINC000002073868	212263478	/nfs/dbraw/zinc/26/34/78/212263478.db2.gz	IPDZJNIZUSHWQI-QHCPKHFHSA-N	-1	3	397.522	6.143	50	10		GKCAHM
Cc1ccc2ccc([C@H](Nc3cccc(Cl)c3)c3ccccn3)c([O-])c2n1	ZINC000001016381	212205659	/nfs/dbraw/zinc/20/56/59/212205659.db2.gz	LRORHYYIGOEORJ-NRFANRHFSA-N	-1	3	375.859	5.499	50	10		GKCAHM
CCC(=O)N[C@H](c1ccc(C(C)C)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000869289	212191374	/nfs/dbraw/zinc/19/13/74/212191374.db2.gz	PJHRKAKKWFGBEA-HXUWFJFHSA-N	-1	3	382.891	5.333	50	10		GKCAHM
C[C@@H]1CCCCN1Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)coc21	ZINC000019791529	212149764	/nfs/dbraw/zinc/14/97/64/212149764.db2.gz	NCXXDDQPOLAHET-CQSZACIVSA-N	-1	3	383.875	5.193	50	10	biogenic	GKCAHM
Cc1ccc(C2=N[C@@H](c3cccc(Cl)c3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000004730074	204069032	/nfs/dbraw/zinc/06/90/32/204069032.db2.gz	NNYZZKFBMMEYRT-FYYLOGMGSA-N	-1	3	376.887	5.577	50	10		GKCAHM
CN(C)c1cccc(C(=O)N[C@H](c2ccccc2)c2c([O-])ccc3ccccc32)c1	ZINC000010910125	204340170	/nfs/dbraw/zinc/34/01/70/204340170.db2.gz	QLPPUNUNXVEFCF-RUZDIDTESA-N	-1	3	396.490	5.131	50	10		GKCAHM
CCOc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000053363143	205136689	/nfs/dbraw/zinc/13/66/89/205136689.db2.gz	LWXGOLUQSGJFCN-ISKFKSNPSA-N	-1	3	390.458	5.153	50	10		GKCAHM
COc1ccc(C2=N[C@@H](c3cccs3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000058083263	205163749	/nfs/dbraw/zinc/16/37/49/205163749.db2.gz	BYJVPEWHDVVZKG-WIYYLYMNSA-N	-1	3	398.915	5.338	50	10		GKCAHM
Cc1cc(Cl)ccc1N[C@H](c1ccccn1)c1ccc2cccnc2c1[O-]	ZINC000096287665	205556581	/nfs/dbraw/zinc/55/65/81/205556581.db2.gz	GZRDIXJHGGTMCS-NRFANRHFSA-N	-1	3	375.859	5.499	50	10		GKCAHM
CCOc1cccc2c1O[C@H](c1cccs1)N1N=C(c3ccccc3[O-])C[C@@H]21	ZINC000227486652	206102175	/nfs/dbraw/zinc/10/21/75/206102175.db2.gz	DVGJRPMQFOVWIW-HTAPYJJXSA-N	-1	3	392.480	5.095	50	10		GKCAHM
CCOc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3ccccc3[O-])C[C@@H]21	ZINC000227486646	206102732	/nfs/dbraw/zinc/10/27/32/206102732.db2.gz	DVGJRPMQFOVWIW-JTSKRJEESA-N	-1	3	392.480	5.095	50	10		GKCAHM
CCCCCC[C@@]1(C)N=C(c2ccc(Cl)cc2)C[C@H](c2ccccc2[O-])N1	ZINC000004729863	206548416	/nfs/dbraw/zinc/54/84/16/206548416.db2.gz	QYHFSKBMZCWCKC-GGAORHGYSA-N	-1	3	384.951	6.256	50	10		GKCAHM
Cc1cc(Cl)ccc1N[C@@H](c1cccnc1)c1ccc2cccnc2c1[O-]	ZINC000096287667	211331988	/nfs/dbraw/zinc/33/19/88/211331988.db2.gz	XFPJCYOPVIHOJB-FQEVSTJZSA-N	-1	3	375.859	5.499	50	10		GKCAHM
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(-c2ccc(N)cc2)cc1	ZINC000095470904	211245852	/nfs/dbraw/zinc/24/58/52/211245852.db2.gz	AQGOMMYTYAQCGS-BUVRLJJBSA-N	-1	3	396.494	5.271	50	10		GKCAHM
O=C(c1ccccc1Cl)N1N=C(c2ccccc2[O-])C[C@@H]1c1ccccc1	ZINC000089827844	211185125	/nfs/dbraw/zinc/18/51/25/211185125.db2.gz	YMOLQCOCGKRKKP-HXUWFJFHSA-N	-1	3	376.843	5.037	50	10		GKCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1cccs1	ZINC000102907352	208413450	/nfs/dbraw/zinc/41/34/50/208413450.db2.gz	HYISJSLPTBJNBH-OXJNMPFZSA-N	-1	3	382.872	5.349	50	10		GKCAHM
C[C@@H]1CCCN(Cc2c([O-])c(Cl)cc3c(-c4ccccc4)cc(=O)oc32)C1	ZINC000020411946	210330851	/nfs/dbraw/zinc/33/08/51/210330851.db2.gz	PQSVFDYNLVQGFA-CQSZACIVSA-N	-1	3	383.875	5.051	50	10		GKCAHM
CCOc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3ccccc3[O-])C[C@@H]21	ZINC000227486692	209000414	/nfs/dbraw/zinc/00/04/14/209000414.db2.gz	WONRCFAFRBIBSK-PGRDOPGGSA-N	-1	3	392.480	5.095	50	10		GKCAHM
[O-]c1cc2c(cc1CN1CCN(c3cccc(Cl)c3)CC1)oc1ccccc12	ZINC000058159407	136154693	/nfs/dbraw/zinc/15/46/93/136154693.db2.gz	REDNYMFGPBJDPJ-UHFFFAOYSA-N	-1	3	392.886	5.267	50	10		GKCAHM
COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000053362928	222009167	/nfs/dbraw/zinc/00/91/67/222009167.db2.gz	AZXXITQOMXYZKP-GGAORHGYSA-N	-1	3	392.886	5.277	50	10		GKCAHM
[O-]c1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=N[C@@H](c2ccc(F)cc2)N1	ZINC000053363448	222009575	/nfs/dbraw/zinc/00/95/75/222009575.db2.gz	TUFINIDUSUBAOP-RBBKRZOGSA-N	-1	3	380.850	5.407	50	10		GKCAHM
CN(Cc1c([O-])ccc2ccccc21)[C@@H](c1nccn1C)c1ccc(Cl)cc1	ZINC000084321961	222315034	/nfs/dbraw/zinc/31/50/34/222315034.db2.gz	AVACYRUUXFEQEK-JOCHJYFZSA-N	-1	3	391.902	5.154	50	10		GKCAHM
CC[C@H]1CCCCN1Cc1c([O-])c(Cl)cc2c(-c3ccccc3)cc(=O)oc21	ZINC000019789555	570219117	/nfs/dbraw/zinc/21/91/17/570219117.db2.gz	DOFZUJJFKJSWGS-INIZCTEOSA-N	-1	3	397.902	5.584	50	10		GKCAHM
Cc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])s1	ZINC000001132808	570246249	/nfs/dbraw/zinc/24/62/49/570246249.db2.gz	XRBPURWCUNERFH-NRFANRHFSA-N	-1	3	375.497	5.524	50	10		GKCAHM
CC(C)c1ccc([C@@H](Nc2nccs2)c2ccc3cccnc3c2[O-])cc1	ZINC000001463276	570263725	/nfs/dbraw/zinc/26/37/25/570263725.db2.gz	LNZRFASRIXMRSJ-LJQANCHMSA-N	-1	3	375.497	5.722	50	10		GKCAHM
CCOc1ccc([C@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])cc1	ZINC000002834247	570305704	/nfs/dbraw/zinc/30/57/04/570305704.db2.gz	HKGVFHKMOBAOEG-QHCPKHFHSA-N	-1	3	399.494	5.552	50	10		GKCAHM
[O-]c1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=N[C@H](c2ccc(F)cc2)N1	ZINC000053363452	570312600	/nfs/dbraw/zinc/31/26/00/570312600.db2.gz	TUFINIDUSUBAOP-UNMCSNQZSA-N	-1	3	380.850	5.407	50	10		GKCAHM
CCc1ccc([C@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000002868280	570313168	/nfs/dbraw/zinc/31/31/68/570313168.db2.gz	AYLNNOFJYOLIGI-NRFANRHFSA-N	-1	3	389.886	5.753	50	10		GKCAHM
Cc1ccc([C@@H](NC(=O)COc2ccccc2)c2c([O-])ccc3ccccc32)cc1	ZINC000002979462	570321964	/nfs/dbraw/zinc/32/19/64/570321964.db2.gz	RKFIQRFDJACNFU-AREMUKBSSA-N	-1	3	397.474	5.138	50	10		GKCAHM
Cc1ccc2ccc([C@H](Nc3ccccn3)c3c(F)cccc3Cl)c([O-])c2n1	ZINC000004151018	570360256	/nfs/dbraw/zinc/36/02/56/570360256.db2.gz	PRABZMUPZPFTLS-NRFANRHFSA-N	-1	3	393.849	5.638	50	10		GKCAHM
COc1cccc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000004178197	570361224	/nfs/dbraw/zinc/36/12/24/570361224.db2.gz	FEQPLAMQCMIQNR-JOCHJYFZSA-N	-1	3	385.467	5.162	50	10		GKCAHM
CCCCC(=O)N[C@@H](c1ccc(C)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000004959835	570382092	/nfs/dbraw/zinc/38/20/92/570382092.db2.gz	ICCASRDXJRTDIJ-FQEVSTJZSA-N	-1	3	382.891	5.298	50	10		GKCAHM
CCCCC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1ccc2cccnc2c1[O-]	ZINC000004957185	570382152	/nfs/dbraw/zinc/38/21/52/570382152.db2.gz	SXKDUVDASYEAQZ-QFIPXVFZSA-N	-1	3	376.500	5.460	50	10		GKCAHM
[O-]c1ccccc1[C@H]1Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1	ZINC000090715374	570411024	/nfs/dbraw/zinc/41/10/24/570411024.db2.gz	FKEXVKROWRMIGK-VWLOTQADSA-N	-1	3	379.459	5.825	50	10		GKCAHM
CCOc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1[O-]	ZINC000004845033	570411803	/nfs/dbraw/zinc/41/18/03/570411803.db2.gz	BAPKTBYGPQCKON-HTAPYJJXSA-N	-1	3	392.480	5.095	50	10		GKCAHM
Cc1ccnc(N[C@H](c2ccc3cccnc3c2[O-])c2c(F)cccc2Cl)c1	ZINC000005102225	570429629	/nfs/dbraw/zinc/42/96/29/570429629.db2.gz	CRIZOPXWFAJBPS-OAQYLSRUSA-N	-1	3	393.849	5.638	50	10		GKCAHM
O=C(c1ccccc1)N1N=C(c2cc(Cl)ccc2[O-])C[C@@H]1c1ccccc1	ZINC000005155669	570433186	/nfs/dbraw/zinc/43/31/86/570433186.db2.gz	XBFYVSQUFFTIOC-HXUWFJFHSA-N	-1	3	376.843	5.037	50	10		GKCAHM
O=c1c2ccccc2c2nc3ccccc3[n-]c-2c1-c1ccc(Cl)cc1Cl	ZINC000006475066	570445984	/nfs/dbraw/zinc/44/59/84/570445984.db2.gz	HFETUFZWUKTBHM-UHFFFAOYSA-N	-1	3	391.257	6.616	50	10		GKCAHM
Cc1ccnc(N[C@@H](c2ccccc2Cl)c2ccc3cccnc3c2[O-])c1	ZINC000005588681	570447758	/nfs/dbraw/zinc/44/77/58/570447758.db2.gz	BKOLRAXMMXDABH-NRFANRHFSA-N	-1	3	375.859	5.499	50	10		GKCAHM
[O-]c1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21	ZINC000006863817	570497153	/nfs/dbraw/zinc/49/71/53/570497153.db2.gz	QFGWWMOKECHORR-UGKGYDQZSA-N	-1	3	376.843	5.288	50	10		GKCAHM
CCCC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1[O-]	ZINC000000869233	570533916	/nfs/dbraw/zinc/53/39/16/570533916.db2.gz	VUZPLTKIMHSUFJ-LJQANCHMSA-N	-1	3	389.282	5.253	50	10		GKCAHM
COc1ccccc1[C@@H](NC(=O)C1CCCCC1)c1ccc2ccccc2c1[O-]	ZINC000002997759	570539456	/nfs/dbraw/zinc/53/94/56/570539456.db2.gz	XRNVRLBZCFLYOT-HSZRJFAPSA-N	-1	3	389.495	5.340	50	10		GKCAHM
Cc1ccnc(N[C@@H](c2ccc(C(C)C)cc2)c2ccc3cccnc3c2[O-])c1	ZINC000013060384	570744745	/nfs/dbraw/zinc/74/47/45/570744745.db2.gz	IUBFBKTYCGEBEG-QHCPKHFHSA-N	-1	3	383.495	5.969	50	10		GKCAHM
O=C(N[C@@H](c1ccccc1Cl)c1ccc2cccnc2c1[O-])c1ccccc1	ZINC000001219060	570817352	/nfs/dbraw/zinc/81/73/52/570817352.db2.gz	GPLKKGFSUQUXNI-NRFANRHFSA-N	-1	3	388.854	5.113	50	10		GKCAHM
O=C(NCc1ccccc1)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000032801851	570820736	/nfs/dbraw/zinc/82/07/36/570820736.db2.gz	PGZARYGTWBHQEF-XMMPIXPASA-N	-1	3	382.463	5.134	50	10		GKCAHM
Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1cc(Cl)ccc1[O-]	ZINC000004678504	570824791	/nfs/dbraw/zinc/82/47/91/570824791.db2.gz	OENPHDCMPVXWST-UHFFFAOYSA-N	-1	3	389.886	5.725	50	10		GKCAHM
CCCCCC[C@@]1(C)N=C(c2ccc3c(c2)OCO3)C[C@H](c2ccccc2[O-])N1	ZINC000004729869	570884725	/nfs/dbraw/zinc/88/47/25/570884725.db2.gz	POIOLPVZKOAMKS-YKSBVNFPSA-N	-1	3	394.515	5.331	50	10		GKCAHM
CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(C)cc1	ZINC000103546178	570886554	/nfs/dbraw/zinc/88/65/54/570886554.db2.gz	KQCJHZQJMDBJIZ-HMMYKYKNSA-N	-1	3	390.512	5.494	50	10		GKCAHM
CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@H](c1c([O-])ccc3ccccc31)N2	ZINC000002185916	570993866	/nfs/dbraw/zinc/99/38/66/570993866.db2.gz	RFLGCBBDVBVELM-HSZRJFAPSA-N	-1	3	375.512	6.644	50	10		GKCAHM
CCc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000004729469	570997989	/nfs/dbraw/zinc/99/79/89/570997989.db2.gz	LCDMTSIDQOBTKV-ISKFKSNPSA-N	-1	3	390.914	5.831	50	10		GKCAHM
CSc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])cc1	ZINC000001171679	209310170	/nfs/dbraw/zinc/31/01/70/209310170.db2.gz	HXUCONQSWLUJMR-OAQYLSRUSA-N	-1	3	387.508	5.567	50	10		GKCAHM
COc1ccccc1C(=O)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000000943239	209282691	/nfs/dbraw/zinc/28/26/91/209282691.db2.gz	QEGFNJKRANLPDR-DEOSSOPVSA-N	-1	3	383.447	5.073	50	10		GKCAHM
COc1cccc(C(=O)N[C@H](c2ccccc2)c2c([O-])ccc3ccccc32)c1	ZINC000001170127	212225485	/nfs/dbraw/zinc/22/54/85/212225485.db2.gz	LEJAAHYFLBUKNT-XMMPIXPASA-N	-1	3	383.447	5.073	50	10		GKCAHM
Cc1ccccc1OCC(=O)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000000943245	212197121	/nfs/dbraw/zinc/19/71/21/212197121.db2.gz	GLHCJQIWLUMVEM-SANMLTNESA-N	-1	3	397.474	5.138	50	10		GKCAHM
CCC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000869288	212191294	/nfs/dbraw/zinc/19/12/94/212191294.db2.gz	PJHRKAKKWFGBEA-FQEVSTJZSA-N	-1	3	382.891	5.333	50	10		GKCAHM
CC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000869269	212191189	/nfs/dbraw/zinc/19/11/89/212191189.db2.gz	DUICHCGSDFOJKH-MRXNPFEDSA-N	-1	3	395.673	5.126	50	10		GKCAHM
Cc1ccc([C@H](NC(=O)CCc2ccccc2)c2ccc3cccnc3c2[O-])cc1	ZINC000000801018	212182320	/nfs/dbraw/zinc/18/23/20/212182320.db2.gz	NTOMTWHLAMHYRJ-DEOSSOPVSA-N	-1	3	396.490	5.087	50	10		GKCAHM
CCOC(=O)c1ccc(N[C@H](c2ccccc2)c2ccc3cccnc3c2[O-])cc1	ZINC000002273660	203934742	/nfs/dbraw/zinc/93/47/42/203934742.db2.gz	OTJPJABPMDRCJV-JOCHJYFZSA-N	-1	3	398.462	5.319	50	10		GKCAHM
CSc1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])cc1	ZINC000002470442	203947247	/nfs/dbraw/zinc/94/72/47/203947247.db2.gz	DUXHQNXWPVCNNT-NRFANRHFSA-N	-1	3	387.508	5.567	50	10		GKCAHM
Cc1cccc(N[C@@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2[O-])n1	ZINC000005102329	204111685	/nfs/dbraw/zinc/11/16/85/204111685.db2.gz	ALVSIURCXDRPIW-FQEVSTJZSA-N	-1	3	375.859	5.499	50	10		GKCAHM
CCCCC(=O)N[C@H](c1ccc(C)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000004959836	204096989	/nfs/dbraw/zinc/09/69/89/204096989.db2.gz	ICCASRDXJRTDIJ-HXUWFJFHSA-N	-1	3	382.891	5.298	50	10		GKCAHM
COc1ccc([C@@H]2N=C(c3ccc(Cl)cc3)C[C@@H](c3ccccc3[O-])N2)cc1	ZINC000053363465	205136193	/nfs/dbraw/zinc/13/61/93/205136193.db2.gz	YTMUYFSGXJPTPW-JTHBVZDNSA-N	-1	3	392.886	5.277	50	10		GKCAHM
COc1ccc(C2=N[C@@H](c3cccc(Cl)c3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000053364847	205136659	/nfs/dbraw/zinc/13/66/59/205136659.db2.gz	GYKOZKDUXZVEGM-JTHBVZDNSA-N	-1	3	392.886	5.277	50	10		GKCAHM
COc1ccccc1[C@H]1N=C(c2ccc(Cl)cc2)C[C@H](c2ccccc2[O-])N1	ZINC000053363441	205137122	/nfs/dbraw/zinc/13/71/22/205137122.db2.gz	QXRSZGXVBKXVKP-OFNKIYASSA-N	-1	3	392.886	5.277	50	10		GKCAHM
Cc1ccc(C2=N[C@@H](c3ccccc3Cl)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000020762874	207212966	/nfs/dbraw/zinc/21/29/66/207212966.db2.gz	QSEFKOXYLBVSKL-FYYLOGMGSA-N	-1	3	376.887	5.577	50	10		GKCAHM
Cc1cc(C)cc(Oc2coc3c(ccc([O-])c3CN3CCCCCC3)c2=O)c1	ZINC000019791889	210297750	/nfs/dbraw/zinc/29/77/50/210297750.db2.gz	FTHHQKPPLNRMJA-UHFFFAOYSA-N	-1	3	393.483	5.284	50	10		GKCAHM
COc1cccc2c1O[C@@H](c1sccc1C)N1N=C(c3ccccc3[O-])C[C@@H]21	ZINC000010215847	221098879	/nfs/dbraw/zinc/09/88/79/221098879.db2.gz	YZPNYGRCHNILRR-JTSKRJEESA-N	-1	3	392.480	5.013	50	10		GKCAHM
O=c1nc(CSc2nccs2)[n-]c2scc(-c3ccccc3Cl)c21	ZINC000052913998	222008462	/nfs/dbraw/zinc/00/84/62/222008462.db2.gz	WQSKHJCSAJUALO-UHFFFAOYSA-N	-1	3	391.930	5.054	50	10		GKCAHM
COc1cccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3[O-])C2)c1	ZINC000053363327	222009047	/nfs/dbraw/zinc/00/90/47/222009047.db2.gz	YOIUINYSAOZIOF-FYYLOGMGSA-N	-1	3	392.886	5.277	50	10		GKCAHM
COc1cccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3ccccc3[O-])C2)c1	ZINC000053363332	222009358	/nfs/dbraw/zinc/00/93/58/222009358.db2.gz	YOIUINYSAOZIOF-GMAHTHKFSA-N	-1	3	392.886	5.277	50	10		GKCAHM
COc1cccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3[O-])C2)c1	ZINC000053363330	222009540	/nfs/dbraw/zinc/00/95/40/222009540.db2.gz	YOIUINYSAOZIOF-GGAORHGYSA-N	-1	3	392.886	5.277	50	10		GKCAHM
COc1ccccc1[C@H]1N=C(c2ccc(Cl)cc2)C[C@@H](c2ccccc2[O-])N1	ZINC000053363444	222010056	/nfs/dbraw/zinc/01/00/56/222010056.db2.gz	QXRSZGXVBKXVKP-REWPJTCUSA-N	-1	3	392.886	5.277	50	10		GKCAHM
COc1ccccc1[C@@H]1N=C(c2ccc(Cl)cc2)C[C@H](c2ccccc2[O-])N1	ZINC000053363439	222010075	/nfs/dbraw/zinc/01/00/75/222010075.db2.gz	QXRSZGXVBKXVKP-NFBKMPQASA-N	-1	3	392.886	5.277	50	10		GKCAHM
CCc1ccc(C2=N[C@H](c3ccccc3OC)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000058135969	222040766	/nfs/dbraw/zinc/04/07/66/222040766.db2.gz	TYXUHUFTFRTZNS-RDGATRHJSA-N	-1	3	386.495	5.186	50	10		GKCAHM
CC1CCN(Cc2c([O-])c(Cl)cc3c(-c4ccccc4)cc(=O)oc32)CC1	ZINC000019789551	570219177	/nfs/dbraw/zinc/21/91/77/570219177.db2.gz	ODRZLMBDBCOLEL-UHFFFAOYSA-N	-1	3	383.875	5.051	50	10		GKCAHM
COc1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])cc1C	ZINC000001159970	570251804	/nfs/dbraw/zinc/25/18/04/570251804.db2.gz	JESKFHBAGSEHPY-QFIPXVFZSA-N	-1	3	385.467	5.162	50	10	aggregator	GKCAHM
Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(Cl)cc3)c([O-])c2n1	ZINC000001168961	570253051	/nfs/dbraw/zinc/25/30/51/570253051.db2.gz	PCBHRAHEKOFWDT-FQEVSTJZSA-N	-1	3	375.859	5.499	50	10		GKCAHM
[O-]c1c([C@H](Nc2ccccn2)c2cccc(Cl)c2Cl)ccc2cccnc21	ZINC000002742971	570297538	/nfs/dbraw/zinc/29/75/38/570297538.db2.gz	FMUBUUSODRAEMS-HXUWFJFHSA-N	-1	3	396.277	5.844	50	10		GKCAHM
CCOc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])cc1	ZINC000002834248	570305661	/nfs/dbraw/zinc/30/56/61/570305661.db2.gz	HKGVFHKMOBAOEG-HSZRJFAPSA-N	-1	3	399.494	5.552	50	10		GKCAHM
CCCOc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])cc1	ZINC000002834636	570305770	/nfs/dbraw/zinc/30/57/70/570305770.db2.gz	VWFITOYWQVZLRO-HSZRJFAPSA-N	-1	3	399.494	5.634	50	10		GKCAHM
[O-]c1c([C@@H](Nc2ccccn2)c2cccc(Cl)c2)cc(Cl)c2cccnc12	ZINC000002862563	570311726	/nfs/dbraw/zinc/31/17/26/570311726.db2.gz	QEMVHDDDWVNQAB-IBGZPJMESA-N	-1	3	396.277	5.844	50	10		GKCAHM
[O-]c1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=N[C@@H](c2ccc(Cl)cc2)N1	ZINC000053363517	570312577	/nfs/dbraw/zinc/31/25/77/570312577.db2.gz	TXUHOCWOHJNUOL-IFMALSPDSA-N	-1	3	397.305	5.922	50	10		GKCAHM
COc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2[O-])cc1	ZINC000004178223	570361143	/nfs/dbraw/zinc/36/11/43/570361143.db2.gz	BFPBMCYGOUABQS-QFIPXVFZSA-N	-1	3	385.467	5.162	50	10		GKCAHM
COCc1cccc(C(=O)N[C@H](c2ccccc2)c2c([O-])ccc3ccccc32)c1	ZINC000010912784	570365568	/nfs/dbraw/zinc/36/55/68/570365568.db2.gz	XEZAXOYZLBTXRH-RUZDIDTESA-N	-1	3	397.474	5.211	50	10		GKCAHM
[O-]c1c([C@H](Nc2ccccc2C(F)(F)F)c2ccccn2)ccc2cccnc21	ZINC000005009301	570395063	/nfs/dbraw/zinc/39/50/63/570395063.db2.gz	CMGMGBJEHCIMTC-FQEVSTJZSA-N	-1	3	395.384	5.556	50	10		GKCAHM
[O-]c1c([C@@H](Nc2ccccn2)c2ccc(OC(F)F)cc2)ccc2cccnc21	ZINC000005092505	570415450	/nfs/dbraw/zinc/41/54/50/570415450.db2.gz	OYBWARTUSWJDHO-IBGZPJMESA-N	-1	3	393.393	5.138	50	10		GKCAHM
[O-]c1c([C@H](Nc2ccccn2)c2ccc(OC(F)F)cc2)ccc2cccnc21	ZINC000005092508	570415496	/nfs/dbraw/zinc/41/54/96/570415496.db2.gz	OYBWARTUSWJDHO-LJQANCHMSA-N	-1	3	393.393	5.138	50	10		GKCAHM
CCOc1ccc([C@H](Nc2cccc(C)n2)c2ccc3cccnc3c2[O-])cc1	ZINC000005102200	570429452	/nfs/dbraw/zinc/42/94/52/570429452.db2.gz	KELBRRFGLICPTL-QFIPXVFZSA-N	-1	3	385.467	5.244	50	10		GKCAHM
Cc1ccnc(N[C@@H](c2ccc3cccnc3c2[O-])c2c(F)cccc2Cl)c1	ZINC000005102224	570429456	/nfs/dbraw/zinc/42/94/56/570429456.db2.gz	CRIZOPXWFAJBPS-NRFANRHFSA-N	-1	3	393.849	5.638	50	10		GKCAHM
[O-]c1c([C@H](Nc2ccccn2)c2c(F)cccc2Cl)ccc2cccnc12	ZINC000005590460	570447695	/nfs/dbraw/zinc/44/76/95/570447695.db2.gz	YROVRAVZEVZWSW-FQEVSTJZSA-N	-1	3	379.822	5.329	50	10		GKCAHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1c2ccccc2nc2ccccc21	ZINC000102570077	570542451	/nfs/dbraw/zinc/54/24/51/570542451.db2.gz	BUCDLIYWWSCTBK-HMMYKYKNSA-N	-1	3	378.435	5.107	50	10		GKCAHM
CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4[O-])=NN32)cc1	ZINC000006721614	570550267	/nfs/dbraw/zinc/55/02/67/570550267.db2.gz	OTSIHDQYSYRJLK-URXFXBBRSA-N	-1	3	386.451	5.033	50	10		GKCAHM
[O-]c1ccccc1CN1CCCn2cccc2[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000036347499	570629234	/nfs/dbraw/zinc/62/92/34/570629234.db2.gz	LBLXKFCYZUSRQN-OAQYLSRUSA-N	-1	3	387.310	5.496	50	10		GKCAHM
[O-]c1ccc(Br)cc1CNc1ccc(Cl)cc1C(F)(F)F	ZINC000044836278	570634496	/nfs/dbraw/zinc/63/44/96/570634496.db2.gz	YRVAOXJMRQETEO-UHFFFAOYSA-N	-1	3	380.591	5.439	50	10		GKCAHM
[O-]c1c([C@@H](Nc2cccc(C(F)(F)F)c2)c2cccnc2)ccc2cccnc21	ZINC000000947290	570734762	/nfs/dbraw/zinc/73/47/62/570734762.db2.gz	NTRQPBDEAJTKJM-IBGZPJMESA-N	-1	3	395.384	5.556	50	10		GKCAHM
[O-]c1c([C@H](Nc2cccc(C(F)(F)F)c2)c2cccnc2)ccc2cccnc21	ZINC000000947291	570734779	/nfs/dbraw/zinc/73/47/79/570734779.db2.gz	NTRQPBDEAJTKJM-LJQANCHMSA-N	-1	3	395.384	5.556	50	10		GKCAHM
COc1ccccc1[C@@H](NC(=O)c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000000970918	570740861	/nfs/dbraw/zinc/74/08/61/570740861.db2.gz	MEYHCCPLCPAXBX-XMMPIXPASA-N	-1	3	383.447	5.073	50	10		GKCAHM
Cc1ccc(NC(=O)N[C@@H](c2ccccc2)c2c([O-])ccc3ccccc32)cc1	ZINC000014075014	570818675	/nfs/dbraw/zinc/81/86/75/570818675.db2.gz	HXBBHSHEXRMPQF-DEOSSOPVSA-N	-1	3	382.463	5.765	50	10		GKCAHM
Cc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4[O-])=NN32)o1	ZINC000102907295	570871022	/nfs/dbraw/zinc/87/10/22/570871022.db2.gz	XIYQQFGZFLRCHW-UTKZUKDTSA-N	-1	3	380.831	5.189	50	10		GKCAHM
COc1cccc2c1O[C@@H](c1sccc1C)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000102907438	570871358	/nfs/dbraw/zinc/87/13/58/570871358.db2.gz	YZPNYGRCHNILRR-VGSWGCGISA-N	-1	3	392.480	5.013	50	10		GKCAHM
COc1ccc(-c2nc(NCc3c([O-])ccc4ccccc43)sc2C)cc1	ZINC000004551781	570871712	/nfs/dbraw/zinc/87/17/12/570871712.db2.gz	XZMAHQAZOJZIEU-UHFFFAOYSA-N	-1	3	376.481	5.598	50	10		GKCAHM
CCc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000004729463	570884069	/nfs/dbraw/zinc/88/40/69/570884069.db2.gz	LCDMTSIDQOBTKV-LADGPHEKSA-N	-1	3	390.914	5.831	50	10		GKCAHM
CCc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000004729461	570884085	/nfs/dbraw/zinc/88/40/85/570884085.db2.gz	LCDMTSIDQOBTKV-UPVQGACJSA-N	-1	3	390.914	5.831	50	10		GKCAHM
CCCCCC[C@@]1(C)N=C(c2ccc(Cl)cc2)C[C@@H](c2ccccc2[O-])N1	ZINC000004729859	570884752	/nfs/dbraw/zinc/88/47/52/570884752.db2.gz	QYHFSKBMZCWCKC-GMAHTHKFSA-N	-1	3	384.951	6.256	50	10		GKCAHM
CC[C@H]1CCCCN1Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C)oc21	ZINC000012599677	570886253	/nfs/dbraw/zinc/88/62/53/570886253.db2.gz	MFGLRGZFHYYCAC-SFHVURJKSA-N	-1	3	377.484	5.239	50	10		GKCAHM
[O-]c1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21	ZINC000106937275	570969577	/nfs/dbraw/zinc/96/95/77/570969577.db2.gz	XCTBHBDMOWXGHC-UGKGYDQZSA-N	-1	3	376.843	5.288	50	10		GKCAHM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1cccc(C(F)(F)F)c1	ZINC000108657098	570991030	/nfs/dbraw/zinc/99/10/30/570991030.db2.gz	NJVLQLIJJYHPOH-MHWRWJLKSA-N	-1	3	379.769	5.077	50	10		GKCAHM
CCc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000004729466	570997980	/nfs/dbraw/zinc/99/79/80/570997980.db2.gz	LCDMTSIDQOBTKV-VWNXMTODSA-N	-1	3	390.914	5.831	50	10		GKCAHM
CN(Cc1ccc(Cl)c(Cl)c1)Cc1cc2c(cc1[O-])[nH]c1ccccc12	ZINC000012844761	210017556	/nfs/dbraw/zinc/01/75/56/210017556.db2.gz	VBQJLAGDGBQYIH-UHFFFAOYSA-N	-1	3	385.294	5.966	50	10		GKCAHM
Cc1ccc([C@@H](NC(=O)CCc2ccccc2)c2c([O-])ccc3ccccc32)cc1	ZINC000002817156	209388041	/nfs/dbraw/zinc/38/80/41/209388041.db2.gz	YKPNZUGHNROUQU-HHHXNRCGSA-N	-1	3	395.502	5.692	50	10		GKCAHM
CCOC(=O)c1ccc(N[C@@H](c2ccccc2)c2ccc3cccnc3c2[O-])cc1	ZINC000002273659	209353420	/nfs/dbraw/zinc/35/34/20/209353420.db2.gz	OTJPJABPMDRCJV-QFIPXVFZSA-N	-1	3	398.462	5.319	50	10		GKCAHM
Cc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4[O-])=NN32)o1	ZINC000010215225	209321146	/nfs/dbraw/zinc/32/11/46/209321146.db2.gz	XIYQQFGZFLRCHW-LAUBAEHRSA-N	-1	3	380.831	5.189	50	10		GKCAHM
[O-]c1c([C@H](Nc2ccc(OC(F)F)cc2)c2ccccn2)ccc2cccnc21	ZINC000001463278	209329105	/nfs/dbraw/zinc/32/91/05/209329105.db2.gz	NRORDDSTOHHTCI-FQEVSTJZSA-N	-1	3	393.393	5.138	50	10		GKCAHM
CC(C)CC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1ccc2cccnc2c1[O-]	ZINC000000801030	209266193	/nfs/dbraw/zinc/26/61/93/209266193.db2.gz	GFTQCVMCUADNIJ-QFIPXVFZSA-N	-1	3	376.500	5.316	50	10		GKCAHM
CC(C)c1cc(C(C)C)c(S(=O)(=O)[N-]c2ccc(O)cc2)c(C(C)C)c1	ZINC000000823282	212185096	/nfs/dbraw/zinc/18/50/96/212185096.db2.gz	IJRHKRWODRIFAM-UHFFFAOYSA-N	-1	3	375.534	5.563	50	10		GKCAHM
Cc1oc2c(ccc([O-])c2CN2CCCCC2)c(=O)c1-c1ccc(Cl)cc1	ZINC000020357617	212151681	/nfs/dbraw/zinc/15/16/81/212151681.db2.gz	IPFMLDPJFPXLDC-UHFFFAOYSA-N	-1	3	383.875	5.113	50	10	biogenic	GKCAHM
Cc1ccnc(N[C@H](c2ccc(OC(C)C)cc2)c2ccc3cccnc3c2[O-])c1	ZINC000004178179	204031728	/nfs/dbraw/zinc/03/17/28/204031728.db2.gz	YKZKWSQMGGRFSG-HSZRJFAPSA-N	-1	3	399.494	5.633	50	10		GKCAHM
CSc1ccc([C@@H]2N=C(c3ccc(C)cc3)C[C@@H](c3ccccc3[O-])N2)cc1	ZINC000004730062	204069249	/nfs/dbraw/zinc/06/92/49/204069249.db2.gz	KQULRNPXZOHDRC-LADGPHEKSA-N	-1	3	388.536	5.645	50	10		GKCAHM
CCOc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1[O-]	ZINC000004845034	204082129	/nfs/dbraw/zinc/08/21/29/204082129.db2.gz	BAPKTBYGPQCKON-JTSKRJEESA-N	-1	3	392.480	5.095	50	10		GKCAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccsc1	ZINC000006721640	204194090	/nfs/dbraw/zinc/19/40/90/204194090.db2.gz	NBYDNFZHSQTOBA-YLJYHZDGSA-N	-1	3	382.872	5.349	50	10		GKCAHM
Cc1ccc([C@H]2N=C(c3ccc(Cl)cc3)C[C@@H](c3ccccc3[O-])N2)cc1	ZINC000053363460	205136074	/nfs/dbraw/zinc/13/60/74/205136074.db2.gz	BMBRDDYTNNOPMH-GMAHTHKFSA-N	-1	3	376.887	5.577	50	10		GKCAHM
COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000053362926	205137392	/nfs/dbraw/zinc/13/73/92/205137392.db2.gz	AZXXITQOMXYZKP-JTHBVZDNSA-N	-1	3	392.886	5.277	50	10		GKCAHM
Cc1ccsc1[C@H]1N=C(c2ccccc2O)C[C@@H](c2cc(Cl)ccc2[O-])N1	ZINC000058083409	205163641	/nfs/dbraw/zinc/16/36/41/205163641.db2.gz	CWWHATHNDCDFTA-UWJYYQICSA-N	-1	3	398.915	5.344	50	10		GKCAHM
Cc1ccc(C)c([C@H](Nc2cccnc2)c2cc(Cl)c3cccnc3c2[O-])c1	ZINC000001065693	206348262	/nfs/dbraw/zinc/34/82/62/206348262.db2.gz	MJUWUFTWEZHRBO-NRFANRHFSA-N	-1	3	389.886	5.807	50	10		GKCAHM
O=C(N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1ccccc1Cl	ZINC000001782196	206391287	/nfs/dbraw/zinc/39/12/87/206391287.db2.gz	VCSPTDWYLJBNPY-HSZRJFAPSA-N	-1	3	387.866	5.718	50	10	aggregator	GKCAHM
[O-]c1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21	ZINC000025558802	207304675	/nfs/dbraw/zinc/30/46/75/207304675.db2.gz	QFGWWMOKECHORR-KNQAVFIVSA-N	-1	3	376.843	5.288	50	10		GKCAHM
CC[C@@H]1CCCCN1Cc1c([O-])c(Cl)cc2c(-c3ccccc3)cc(=O)oc21	ZINC000019789553	210296648	/nfs/dbraw/zinc/29/66/48/210296648.db2.gz	DOFZUJJFKJSWGS-MRXNPFEDSA-N	-1	3	397.902	5.584	50	10		GKCAHM
Cc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4[O-])=NN32)o1	ZINC000227485756	209000901	/nfs/dbraw/zinc/00/09/01/209000901.db2.gz	XIYQQFGZFLRCHW-DYESRHJHSA-N	-1	3	380.831	5.189	50	10		GKCAHM
Cc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4[O-])=NN32)o1	ZINC000010215228	221098295	/nfs/dbraw/zinc/09/82/95/221098295.db2.gz	XIYQQFGZFLRCHW-UWJYYQICSA-N	-1	3	380.831	5.189	50	10		GKCAHM
CCOc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1[O-]	ZINC000015016210	221325843	/nfs/dbraw/zinc/32/58/43/221325843.db2.gz	BAPKTBYGPQCKON-VGSWGCGISA-N	-1	3	392.480	5.095	50	10		GKCAHM
CCCCCCc1c(C)c2cc(Cl)c([O-])c(CN3CCCCC3)c2oc1=O	ZINC000020323874	221481760	/nfs/dbraw/zinc/48/17/60/221481760.db2.gz	XRKIZPIQIZFNBZ-UHFFFAOYSA-N	-1	3	391.939	5.569	50	10		GKCAHM
COc1ccc(C2=N[C@H](c3cccc(Cl)c3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000053364848	222009462	/nfs/dbraw/zinc/00/94/62/222009462.db2.gz	GYKOZKDUXZVEGM-GGAORHGYSA-N	-1	3	392.886	5.277	50	10		GKCAHM
COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000053362924	222009531	/nfs/dbraw/zinc/00/95/31/222009531.db2.gz	AZXXITQOMXYZKP-FYYLOGMGSA-N	-1	3	392.886	5.277	50	10		GKCAHM
Cc1ccc([C@@H]2N=C(c3ccc(Cl)cc3)C[C@@H](c3ccccc3[O-])N2)cc1	ZINC000053363458	222009868	/nfs/dbraw/zinc/00/98/68/222009868.db2.gz	BMBRDDYTNNOPMH-JTHBVZDNSA-N	-1	3	376.887	5.577	50	10		GKCAHM
CCOc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000053363146	222010025	/nfs/dbraw/zinc/01/00/25/222010025.db2.gz	LWXGOLUQSGJFCN-LADGPHEKSA-N	-1	3	390.458	5.153	50	10		GKCAHM
CCc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000058135977	222040592	/nfs/dbraw/zinc/04/05/92/222040592.db2.gz	TYXUHUFTFRTZNS-RCZVLFRGSA-N	-1	3	386.495	5.186	50	10		GKCAHM
CC(C)C(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1[O-]	ZINC000000869240	570227539	/nfs/dbraw/zinc/22/75/39/570227539.db2.gz	GUGJXJDURCSDQV-SFHVURJKSA-N	-1	3	389.282	5.109	50	10		GKCAHM
Cc1ccc(C)c([C@@H](Nc2cccnc2)c2cc(Cl)c3cccnc3c2[O-])c1	ZINC000001065697	570239836	/nfs/dbraw/zinc/23/98/36/570239836.db2.gz	MJUWUFTWEZHRBO-OAQYLSRUSA-N	-1	3	389.886	5.807	50	10		GKCAHM
CSc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])cc1	ZINC000001171678	570253283	/nfs/dbraw/zinc/25/32/83/570253283.db2.gz	HXUCONQSWLUJMR-NRFANRHFSA-N	-1	3	387.508	5.567	50	10		GKCAHM
CCOc1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])cc1C	ZINC000002470406	570287840	/nfs/dbraw/zinc/28/78/40/570287840.db2.gz	CYNZBLNMIJNBSF-QHCPKHFHSA-N	-1	3	399.494	5.552	50	10	in-vitro	GKCAHM
Cc1oc2c(ccc([O-])c2CN2CCCCC2)c(=O)c1Oc1ccc(Cl)cc1	ZINC000021548860	570292264	/nfs/dbraw/zinc/29/22/64/570292264.db2.gz	WAFACAULYPVWJM-UHFFFAOYSA-N	-1	3	399.874	5.239	50	10		GKCAHM
[O-]c1c([C@H](Nc2ccccn2)c2ccc(Cl)cc2Cl)ccc2cccnc21	ZINC000002708538	570295706	/nfs/dbraw/zinc/29/57/06/570295706.db2.gz	ZQNSVWDKNCLXET-HXUWFJFHSA-N	-1	3	396.277	5.844	50	10		GKCAHM
CC(C)(C)c1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1	ZINC000002745422	570297811	/nfs/dbraw/zinc/29/78/11/570297811.db2.gz	RWFNQAOHQVYJRV-JOCHJYFZSA-N	-1	3	383.495	5.834	50	10		GKCAHM
CCc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2[O-])cc1	ZINC000002838754	570306591	/nfs/dbraw/zinc/30/65/91/570306591.db2.gz	VMJSGPIXIRITKR-HSZRJFAPSA-N	-1	3	383.495	5.716	50	10		GKCAHM
Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	ZINC000002883620	570316001	/nfs/dbraw/zinc/31/60/01/570316001.db2.gz	KQUBJIXSEBVKKR-UHFFFAOYSA-N	-1	3	375.534	5.096	50	10		GKCAHM
Cc1ccc([C@H](NC(=O)COc2ccccc2)c2c([O-])ccc3ccccc32)cc1	ZINC000002979461	570321944	/nfs/dbraw/zinc/32/19/44/570321944.db2.gz	RKFIQRFDJACNFU-SANMLTNESA-N	-1	3	397.474	5.138	50	10		GKCAHM
COc1ccc([C@H](NC(=O)C2CCCCC2)c2c([O-])ccc3ccccc32)cc1	ZINC000002997990	570324848	/nfs/dbraw/zinc/32/48/48/570324848.db2.gz	AOKXVRMFXRYFGO-DEOSSOPVSA-N	-1	3	389.495	5.340	50	10	aggregator	GKCAHM
Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(C(C)C)cc3)c([O-])c2n1	ZINC000003003781	570325773	/nfs/dbraw/zinc/32/57/73/570325773.db2.gz	QDVOKVIYOIYLAM-HSZRJFAPSA-N	-1	3	383.495	5.969	50	10		GKCAHM
Cc1cccc(N[C@@H](c2ccc(N(C)C)cc2)c2ccc3ccc(C)nc3c2[O-])n1	ZINC000004164725	570360605	/nfs/dbraw/zinc/36/06/05/570360605.db2.gz	HOCWFUDKLDDDRQ-QHCPKHFHSA-N	-1	3	398.510	5.220	50	10		GKCAHM
COc1cc(/C=C2\C(=O)N(c3ccc4ccccc4c3)N=C2C)cc(Cl)c1[O-]	ZINC000004755162	570403475	/nfs/dbraw/zinc/40/34/75/570403475.db2.gz	ROQZPQJYMCRAOR-NVMNQCDNSA-N	-1	3	392.842	5.014	50	10		GKCAHM
[O-]c1c([C@H](Nc2ccccn2)c2cccc(F)c2)cc(Cl)c2cccnc12	ZINC000005049429	570426200	/nfs/dbraw/zinc/42/62/00/570426200.db2.gz	NXUVJIYFYUHBAC-LJQANCHMSA-N	-1	3	379.822	5.329	50	10		GKCAHM
CCc1ccc([C@H]2c3cccn3CCCN2Cc2cc(Cl)ccc2[O-])cc1	ZINC000036348098	570630788	/nfs/dbraw/zinc/63/07/88/570630788.db2.gz	MKYONUCYGXKGDV-QHCPKHFHSA-N	-1	3	380.919	5.405	50	10		GKCAHM
Cc1[n-]n(-c2ccccc2)c(=S)c1C=Nc1ccc(Cl)c2cccnc12	ZINC000211078245	570759057	/nfs/dbraw/zinc/75/90/57/570759057.db2.gz	BDCOHPOIRBHUCP-FOWTUZBSSA-N	-1	3	378.888	5.408	50	10		GKCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccsc1	ZINC000102907355	570871482	/nfs/dbraw/zinc/87/14/82/570871482.db2.gz	OBGGTHZXSLXUPC-FXAWDEMLSA-N	-1	3	382.872	5.349	50	10		GKCAHM
Cc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000004729195	570884030	/nfs/dbraw/zinc/88/40/30/570884030.db2.gz	NITYMXZFIUSRRK-GMAHTHKFSA-N	-1	3	376.887	5.577	50	10		GKCAHM
CSc1ccc([C@H]2N=C(c3ccc(C)cc3)C[C@H](c3ccccc3[O-])N2)cc1	ZINC000004730063	570884533	/nfs/dbraw/zinc/88/45/33/570884533.db2.gz	KQULRNPXZOHDRC-VWNXMTODSA-N	-1	3	388.536	5.645	50	10		GKCAHM
[O-]c1ccc(Br)cc1[C@H]1Nc2ccccc2-c2nc3ccccc3n21	ZINC000012604463	570888314	/nfs/dbraw/zinc/88/83/14/570888314.db2.gz	IBEDDXLCXHGHPW-FQEVSTJZSA-N	-1	3	392.256	5.144	50	10		GKCAHM
[O-]c1ccc(Cl)cc1C1=NN(c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1	ZINC000004808340	570997296	/nfs/dbraw/zinc/99/72/96/570997296.db2.gz	ZWDHVCLAPIPKIO-HXUWFJFHSA-N	-1	3	383.278	6.055	50	10		GKCAHM
Cc1ccnc(N[C@H](c2cccc(Cl)c2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000015016658	210143495	/nfs/dbraw/zinc/14/34/95/210143495.db2.gz	KJAOWXWSRYJKIM-OAQYLSRUSA-N	-1	3	389.886	5.807	50	10		GKCAHM
Cc1ccc([C@@H](NC(=O)Cc2ccccc2)c2c([O-])ccc3ccccc32)cc1	ZINC000002870022	209393331	/nfs/dbraw/zinc/39/33/31/209393331.db2.gz	XMPAUTHIHVYEGJ-AREMUKBSSA-N	-1	3	381.475	5.302	50	10		GKCAHM
CC(C)Oc1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1	ZINC000002470463	209367182	/nfs/dbraw/zinc/36/71/82/209367182.db2.gz	LIQUBTUWBFWXRU-JOCHJYFZSA-N	-1	3	385.467	5.324	50	10		GKCAHM
CCOc1cccc2c1O[C@H](c1cccs1)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000010215895	209321780	/nfs/dbraw/zinc/32/17/80/209321780.db2.gz	DVGJRPMQFOVWIW-VGOFRKELSA-N	-1	3	392.480	5.095	50	10		GKCAHM
Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccccc3Cl)c([O-])c2n1	ZINC000001159790	209309037	/nfs/dbraw/zinc/30/90/37/209309037.db2.gz	PEXQTMGRJKPKCN-NRFANRHFSA-N	-1	3	375.859	5.499	50	10		GKCAHM
CCCC(=O)N[C@H](c1ccccc1Cl)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000801099	209266458	/nfs/dbraw/zinc/26/64/58/209266458.db2.gz	AAYMJRPVNPTYIG-GOSISDBHSA-N	-1	3	389.282	5.253	50	10		GKCAHM
C[C@@H]1CCCN(Cc2c([O-])ccc3c(=O)c(-c4ccc(Cl)cc4)coc32)C1	ZINC000019793079	209234194	/nfs/dbraw/zinc/23/41/94/209234194.db2.gz	CTFKKFIZHGGSNR-CQSZACIVSA-N	-1	3	383.875	5.051	50	10	biogenic	GKCAHM
CCCC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1[O-]	ZINC000000869232	212191750	/nfs/dbraw/zinc/19/17/50/212191750.db2.gz	VUZPLTKIMHSUFJ-IBGZPJMESA-N	-1	3	389.282	5.253	50	10		GKCAHM
CC(C)C(=O)N[C@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1[O-]	ZINC000000869241	203861174	/nfs/dbraw/zinc/86/11/74/203861174.db2.gz	GUGJXJDURCSDQV-GOSISDBHSA-N	-1	3	389.282	5.109	50	10		GKCAHM
COc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2[O-])cc1	ZINC000004178224	204031393	/nfs/dbraw/zinc/03/13/93/204031393.db2.gz	BFPBMCYGOUABQS-JOCHJYFZSA-N	-1	3	385.467	5.162	50	10		GKCAHM
Cc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000004729196	204069078	/nfs/dbraw/zinc/06/90/78/204069078.db2.gz	NITYMXZFIUSRRK-JTHBVZDNSA-N	-1	3	376.887	5.577	50	10		GKCAHM
CCCCCC[C@]1(C)N=C(c2ccc(Cl)cc2)C[C@@H](c2ccccc2[O-])N1	ZINC000004729861	204070064	/nfs/dbraw/zinc/07/00/64/204070064.db2.gz	QYHFSKBMZCWCKC-JTHBVZDNSA-N	-1	3	384.951	6.256	50	10		GKCAHM
COc1ccc([C@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])cc1	ZINC000004631200	204058994	/nfs/dbraw/zinc/05/89/94/204058994.db2.gz	AZRSNEKCPHXKFJ-QFIPXVFZSA-N	-1	3	385.467	5.162	50	10		GKCAHM
CN(Cc1c([O-])ccc2ccccc21)[C@H](c1nccn1C)c1ccc(Cl)cc1	ZINC000084321962	205393684	/nfs/dbraw/zinc/39/36/84/205393684.db2.gz	AVACYRUUXFEQEK-QFIPXVFZSA-N	-1	3	391.902	5.154	50	10		GKCAHM
O=C(Nc1ccc(Cl)cc1)c1[n-]cnc1N=Nc1c(O)ccc2ccccc21	ZINC000004817962	206214938	/nfs/dbraw/zinc/21/49/38/206214938.db2.gz	TVLLUWWNOWJHMF-OCEACIFDSA-N	-1	3	391.818	5.590	50	10		GKCAHM
O=C(Nc1ccc(Cl)cc1)c1nc[n-]c1N=Nc1c(O)ccc2ccccc21	ZINC000004817962	206214943	/nfs/dbraw/zinc/21/49/43/206214943.db2.gz	TVLLUWWNOWJHMF-OCEACIFDSA-N	-1	3	391.818	5.590	50	10		GKCAHM
O=C(N[C@@H](c1ccc(Cl)cc1)c1c([O-])ccc2ccccc21)c1ccccc1	ZINC000002063572	206397546	/nfs/dbraw/zinc/39/75/46/206397546.db2.gz	UXSDXPQORHVTIJ-QHCPKHFHSA-N	-1	3	387.866	5.718	50	10	aggregator	GKCAHM
CCOc1cccc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000002095017	206398979	/nfs/dbraw/zinc/39/89/79/206398979.db2.gz	KGZSXOLZAURDIX-HSZRJFAPSA-N	-1	3	399.494	5.552	50	10		GKCAHM
CCCCC(=O)N[C@H](c1ccc(C(C)C)cc1)c1ccc2cccnc2c1[O-]	ZINC000004957186	206576644	/nfs/dbraw/zinc/57/66/44/206576644.db2.gz	SXKDUVDASYEAQZ-JOCHJYFZSA-N	-1	3	376.500	5.460	50	10		GKCAHM
[O-]c1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21	ZINC000072332607	211091272	/nfs/dbraw/zinc/09/12/72/211091272.db2.gz	XCTBHBDMOWXGHC-SIKLNZKXSA-N	-1	3	376.843	5.288	50	10		GKCAHM
Cc1ccc(C2=N[C@@H](c3c(F)cccc3Cl)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000020765171	207213138	/nfs/dbraw/zinc/21/31/38/207213138.db2.gz	BFGIXDHPYXCMMC-NFBKMPQASA-N	-1	3	394.877	5.716	50	10		GKCAHM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(Cl)c(Cl)c1	ZINC000095471580	208190969	/nfs/dbraw/zinc/19/09/69/208190969.db2.gz	BDIQOELWEKHISS-ZROIWOOFSA-N	-1	3	380.662	5.365	50	10		GKCAHM
CC(C)(C)c1cc([C@@H](c2ccccc2[O-])N2CCOCC2)cc(C(C)(C)C)c1O	ZINC000020840272	210362199	/nfs/dbraw/zinc/36/21/99/210362199.db2.gz	GYYGKFKKUKBBRU-QFIPXVFZSA-N	-1	3	397.559	5.114	50	10		GKCAHM
Cc1ccc(C2=N[C@H](c3ccccc3Cl)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000020762879	210360283	/nfs/dbraw/zinc/36/02/83/210360283.db2.gz	QSEFKOXYLBVSKL-GGAORHGYSA-N	-1	3	376.887	5.577	50	10		GKCAHM
CC1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccc(Cl)cc4)coc32)CC1	ZINC000019787296	210294544	/nfs/dbraw/zinc/29/45/44/210294544.db2.gz	AHFGBDXCYPJGGJ-UHFFFAOYSA-N	-1	3	383.875	5.051	50	10	biogenic	GKCAHM
Cc1c(Cl)cccc1NC1=NC(=O)C(=Cc2cc([O-])ccc2Cl)S1	ZINC000006075034	208676872	/nfs/dbraw/zinc/67/68/72/208676872.db2.gz	JMJNMVSKVOUNHE-OVCLIPMQSA-N	-1	3	379.268	5.090	50	10		GKCAHM
CC1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4Cl)coc32)CC1	ZINC000019791815	208806068	/nfs/dbraw/zinc/80/60/68/208806068.db2.gz	BHZTXXBJMMDUPF-UHFFFAOYSA-N	-1	3	383.875	5.051	50	10		GKCAHM
COc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])cc1C	ZINC000015016791	221326961	/nfs/dbraw/zinc/32/69/61/221326961.db2.gz	RIINSJBWIPMKCE-QFIPXVFZSA-N	-1	3	385.467	5.162	50	10		GKCAHM
[O-]c1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=N[C@H](c2ccc(F)cc2)N1	ZINC000053363450	222009396	/nfs/dbraw/zinc/00/93/96/222009396.db2.gz	TUFINIDUSUBAOP-IRLDBZIGSA-N	-1	3	380.850	5.407	50	10		GKCAHM
CN(C)c1ccc(Cc2c(=O)c3ccccc3c3nc4ccccc4[n-]c2-3)cc1	ZINC000059520059	222058570	/nfs/dbraw/zinc/05/85/70/222058570.db2.gz	NKBPNAYLKBCEPN-UHFFFAOYSA-N	-1	3	379.463	5.299	50	10		GKCAHM
COc1ccccc1C(=O)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000000943240	570230659	/nfs/dbraw/zinc/23/06/59/570230659.db2.gz	QEGFNJKRANLPDR-XMMPIXPASA-N	-1	3	383.447	5.073	50	10		GKCAHM
Cc1ccccc1OCC(=O)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000000943246	570230803	/nfs/dbraw/zinc/23/08/03/570230803.db2.gz	GLHCJQIWLUMVEM-AREMUKBSSA-N	-1	3	397.474	5.138	50	10		GKCAHM
COc1ccc([C@H](NC(=O)Cc2ccccc2)c2c([O-])ccc3ccccc32)cc1	ZINC000000970915	570232634	/nfs/dbraw/zinc/23/26/34/570232634.db2.gz	VYPUVVGXWOVISS-SANMLTNESA-N	-1	3	397.474	5.002	50	10		GKCAHM
CC(C)c1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc(C(C)C)c1O	ZINC000001155965	570249849	/nfs/dbraw/zinc/24/98/49/570249849.db2.gz	NVGWZPDNAMKNLU-UHFFFAOYSA-N	-1	3	383.513	5.593	50	10		GKCAHM
CCOc1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])cc1C	ZINC000002470410	570287853	/nfs/dbraw/zinc/28/78/53/570287853.db2.gz	CYNZBLNMIJNBSF-HSZRJFAPSA-N	-1	3	399.494	5.552	50	10	in-vitro	GKCAHM
[O-]c1c([C@@H](Nc2ccccn2)c2ccc(Cl)c(Cl)c2)ccc2cccnc21	ZINC000002838988	570306692	/nfs/dbraw/zinc/30/66/92/570306692.db2.gz	DYTPMUBPFQYPBO-IBGZPJMESA-N	-1	3	396.277	5.844	50	10		GKCAHM
Cc1ccnc(N[C@@H](c2ccc3ccc(C)nc3c2[O-])c2cc(C)ccc2C)c1	ZINC000002839075	570306745	/nfs/dbraw/zinc/30/67/45/570306745.db2.gz	LWRIRUDIKOTCLE-DEOSSOPVSA-N	-1	3	383.495	5.771	50	10		GKCAHM
[O-]c1c([C@H](Nc2ccccn2)c2cccc(Cl)c2)cc(Cl)c2cccnc12	ZINC000002862564	570311669	/nfs/dbraw/zinc/31/16/69/570311669.db2.gz	QEMVHDDDWVNQAB-LJQANCHMSA-N	-1	3	396.277	5.844	50	10		GKCAHM
Cc1ccnc(N[C@@H](c2ccc3ccccc3c2)c2ccc3cccnc3c2[O-])c1	ZINC000002874078	570314273	/nfs/dbraw/zinc/31/42/73/570314273.db2.gz	ACOPCCNQZUNLPD-DEOSSOPVSA-N	-1	3	391.474	5.999	50	10		GKCAHM
COc1ccc(C(=O)N[C@H](c2ccc(C)cc2)c2c([O-])ccc3ccccc32)cc1	ZINC000002979680	570321953	/nfs/dbraw/zinc/32/19/53/570321953.db2.gz	XYQIXHRCYDKCAK-RUZDIDTESA-N	-1	3	397.474	5.382	50	10		GKCAHM
CC(C)CC(=O)N[C@H](c1ccc(C(C)C)cc1)c1ccc2cccnc2c1[O-]	ZINC000000801031	570341785	/nfs/dbraw/zinc/34/17/85/570341785.db2.gz	GFTQCVMCUADNIJ-JOCHJYFZSA-N	-1	3	376.500	5.316	50	10		GKCAHM
CCCC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000004959841	570382159	/nfs/dbraw/zinc/38/21/59/570382159.db2.gz	YYILDCADWWHRHV-NRFANRHFSA-N	-1	3	396.918	5.723	50	10		GKCAHM
C[C@H]1CCCCN1Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)coc21	ZINC000019791530	570468873	/nfs/dbraw/zinc/46/88/73/570468873.db2.gz	NCXXDDQPOLAHET-AWEZNQCLSA-N	-1	3	383.875	5.193	50	10	biogenic	GKCAHM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cccc(Nc2ccccc2)c1	ZINC000005337395	570556596	/nfs/dbraw/zinc/55/65/96/570556596.db2.gz	KOHTWECUAIESAP-XQNSMLJCSA-N	-1	3	382.467	5.457	50	10		GKCAHM
[O-]c1ccccc1CN1CCCn2cccc2[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000036347498	570629133	/nfs/dbraw/zinc/62/91/33/570629133.db2.gz	LBLXKFCYZUSRQN-NRFANRHFSA-N	-1	3	387.310	5.496	50	10		GKCAHM
[O-]c1c([C@@H](Nc2cccc(C(F)(F)F)c2)c2ccccn2)ccc2cccnc21	ZINC000000946885	570734737	/nfs/dbraw/zinc/73/47/37/570734737.db2.gz	OTWALNVEORMFIX-HXUWFJFHSA-N	-1	3	395.384	5.556	50	10		GKCAHM
[O-]c1c([C@H](Nc2cccc(C(F)(F)F)c2)c2ccncc2)ccc2cccnc21	ZINC000000948868	570735081	/nfs/dbraw/zinc/73/50/81/570735081.db2.gz	UCIDUOPFFXWXFB-LJQANCHMSA-N	-1	3	395.384	5.556	50	10		GKCAHM
[O-]c1c([C@@H](Nc2nc3ccccc3s2)c2cccs2)ccc2cccnc21	ZINC000001016316	570745885	/nfs/dbraw/zinc/74/58/85/570745885.db2.gz	HMEPNUZRUJTFBY-LJQANCHMSA-N	-1	3	389.505	5.813	50	10		GKCAHM
Cn1c(-c2ccc(Cl)c(Cl)c2)cnc1NCc1cc(Cl)ccc1[O-]	ZINC000004678266	570824255	/nfs/dbraw/zinc/82/42/55/570824255.db2.gz	ZSOREVHEXNSYIU-UHFFFAOYSA-N	-1	3	382.678	5.365	50	10		GKCAHM
COc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])cc1C	ZINC000015016790	570871850	/nfs/dbraw/zinc/87/18/50/570871850.db2.gz	RIINSJBWIPMKCE-JOCHJYFZSA-N	-1	3	385.467	5.162	50	10		GKCAHM
CSc1ccc([C@H]2N=C(c3ccc(C)cc3)C[C@@H](c3ccccc3[O-])N2)cc1	ZINC000004730061	570884541	/nfs/dbraw/zinc/88/45/41/570884541.db2.gz	KQULRNPXZOHDRC-UPVQGACJSA-N	-1	3	388.536	5.645	50	10		GKCAHM
[O-]c1ccc2ccccc2c1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21	ZINC000106937271	570969503	/nfs/dbraw/zinc/96/95/03/570969503.db2.gz	TVRFJLHWUDGNFT-GJZUVCINSA-N	-1	3	392.458	5.788	50	10		GKCAHM
Cc1ccnc(N[C@@H](c2ccc(C(C)(C)C)cc2)c2ccc3cccnc3c2[O-])c1	ZINC000015015551	210143878	/nfs/dbraw/zinc/14/38/78/210143878.db2.gz	ZTZYFPVPRKUORH-QHCPKHFHSA-N	-1	3	397.522	6.143	50	10		GKCAHM
[O-]c1c([C@H](Nc2ccccn2)c2ccc(Cl)c(Cl)c2)ccc2cccnc21	ZINC000002838989	209389344	/nfs/dbraw/zinc/38/93/44/209389344.db2.gz	DYTPMUBPFQYPBO-LJQANCHMSA-N	-1	3	396.277	5.844	50	10		GKCAHM
CC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000869268	209274511	/nfs/dbraw/zinc/27/45/11/209274511.db2.gz	DUICHCGSDFOJKH-INIZCTEOSA-N	-1	3	395.673	5.126	50	10		GKCAHM
COc1ccc(Cl)cc1[C@@H](Nc1cccnc1)c1ccc2cccnc2c1[O-]	ZINC000001065645	212212576	/nfs/dbraw/zinc/21/25/76/212212576.db2.gz	VNEQQSPGASKCDG-NRFANRHFSA-N	-1	3	391.858	5.199	50	10		GKCAHM
CCCC(=O)N[C@@H](c1ccccc1Cl)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000801098	212181929	/nfs/dbraw/zinc/18/19/29/212181929.db2.gz	AAYMJRPVNPTYIG-SFHVURJKSA-N	-1	3	389.282	5.253	50	10		GKCAHM
CC(C)C(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000801106	212182984	/nfs/dbraw/zinc/18/29/84/212182984.db2.gz	BHJWVIQRDPSQPF-FQEVSTJZSA-N	-1	3	396.918	5.579	50	10		GKCAHM
O=C([N-]c1c(Cl)cc(Cl)cc1Cl)c1nnsc1Nc1ccccc1	ZINC000003770882	212063728	/nfs/dbraw/zinc/06/37/28/212063728.db2.gz	AEGXYMFXFNGXKL-UHFFFAOYSA-N	-1	3	399.690	5.494	50	10		GKCAHM
[O-]c1ccccc1CN1CCCn2cccc2[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000037523141	205027343	/nfs/dbraw/zinc/02/73/43/205027343.db2.gz	KEFOMMJEVYBVDI-NRFANRHFSA-N	-1	3	386.417	5.208	50	10		GKCAHM
[O-]c1ccc(Br)cc1CNc1ccc(OCc2ccccc2)cc1	ZINC000044836157	205086336	/nfs/dbraw/zinc/08/63/36/205086336.db2.gz	MUZTXNZOBWEJTH-UHFFFAOYSA-N	-1	3	384.273	5.346	50	10		GKCAHM
Cc1ccc(C2=N[C@](C)(c3cccc(Cl)c3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000053364609	205136227	/nfs/dbraw/zinc/13/62/27/205136227.db2.gz	ZQLSFYAFFFPSEJ-VWNXMTODSA-N	-1	3	390.914	5.751	50	10		GKCAHM
Cc1ccc(C2=N[C@@](C)(c3cccc(Cl)c3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000053364616	205136528	/nfs/dbraw/zinc/13/65/28/205136528.db2.gz	ZQLSFYAFFFPSEJ-ISKFKSNPSA-N	-1	3	390.914	5.751	50	10		GKCAHM
COc1cccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3ccccc3[O-])C2)c1	ZINC000053363328	205136639	/nfs/dbraw/zinc/13/66/39/205136639.db2.gz	YOIUINYSAOZIOF-JTHBVZDNSA-N	-1	3	392.886	5.277	50	10		GKCAHM
COc1ccc(C2=N[C@H](c3cccs3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000058083257	205164245	/nfs/dbraw/zinc/16/42/45/205164245.db2.gz	BYJVPEWHDVVZKG-NQIIRXRSSA-N	-1	3	398.915	5.338	50	10		GKCAHM
COc1ccc(C(=O)N[C@@H](c2ccccc2)c2c([O-])ccc3ccccc32)cc1	ZINC000001229197	209115009	/nfs/dbraw/zinc/11/50/09/209115009.db2.gz	KCKKNZJPHWKMIQ-DEOSSOPVSA-N	-1	3	383.447	5.073	50	10		GKCAHM
O=C(N[C@H](c1ccccc1Cl)c1ccc2cccnc2c1[O-])c1ccccc1	ZINC000001219061	205705983	/nfs/dbraw/zinc/70/59/83/205705983.db2.gz	GPLKKGFSUQUXNI-OAQYLSRUSA-N	-1	3	388.854	5.113	50	10		GKCAHM
CC(C)C(=O)N[C@H](c1ccc(C(C)C)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000801107	206322462	/nfs/dbraw/zinc/32/24/62/206322462.db2.gz	BHJWVIQRDPSQPF-HXUWFJFHSA-N	-1	3	396.918	5.579	50	10		GKCAHM
CCOc1cccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000018190452	207093786	/nfs/dbraw/zinc/09/37/86/207093786.db2.gz	XKIAXDVGTLQPMF-QFIPXVFZSA-N	-1	3	385.467	5.244	50	10		GKCAHM
CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4[O-])=NN32)cc1	ZINC000020070667	207177862	/nfs/dbraw/zinc/17/78/62/207177862.db2.gz	OTSIHDQYSYRJLK-ZJSXRUAMSA-N	-1	3	386.451	5.033	50	10		GKCAHM
C[C@H]1CCCN(Cc2c([O-])c(Cl)cc3c(-c4ccccc4)cc(=O)oc32)C1	ZINC000020411949	207190997	/nfs/dbraw/zinc/19/09/97/207190997.db2.gz	PQSVFDYNLVQGFA-AWEZNQCLSA-N	-1	3	383.875	5.051	50	10		GKCAHM
C[C@@H](c1ccccc1)N(Cc1nc(-c2ccccc2)no1)Cc1ccccc1[O-]	ZINC000095410940	208181732	/nfs/dbraw/zinc/18/17/32/208181732.db2.gz	IGFSLPHQSBVPAB-SFHVURJKSA-N	-1	3	385.467	5.206	50	10		GKCAHM
CC(C)(C)c1cc([C@H](c2ccccc2[O-])N2CCOCC2)cc(C(C)(C)C)c1O	ZINC000020840269	210363725	/nfs/dbraw/zinc/36/37/25/210363725.db2.gz	GYYGKFKKUKBBRU-JOCHJYFZSA-N	-1	3	397.559	5.114	50	10		GKCAHM
CCCC(=O)N[C@H](c1ccc(C(C)C)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000004959842	220799750	/nfs/dbraw/zinc/79/97/50/220799750.db2.gz	YYILDCADWWHRHV-OAQYLSRUSA-N	-1	3	396.918	5.723	50	10		GKCAHM
CN(C)c1cccc(C(=O)N[C@@H](c2ccccc2)c2c([O-])ccc3ccccc32)c1	ZINC000010910123	221108440	/nfs/dbraw/zinc/10/84/40/221108440.db2.gz	QLPPUNUNXVEFCF-VWLOTQADSA-N	-1	3	396.490	5.131	50	10		GKCAHM
CCOc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000053363151	222008821	/nfs/dbraw/zinc/00/88/21/222008821.db2.gz	LWXGOLUQSGJFCN-UPVQGACJSA-N	-1	3	390.458	5.153	50	10		GKCAHM
COc1ccc(C2=N[C@@H](c3cccc(Cl)c3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000053364844	222009614	/nfs/dbraw/zinc/00/96/14/222009614.db2.gz	GYKOZKDUXZVEGM-FYYLOGMGSA-N	-1	3	392.886	5.277	50	10		GKCAHM
COc1ccc([C@@H]2N=C(c3ccc(Cl)cc3)C[C@H](c3ccccc3[O-])N2)cc1	ZINC000053363462	222010093	/nfs/dbraw/zinc/01/00/93/222010093.db2.gz	YTMUYFSGXJPTPW-FYYLOGMGSA-N	-1	3	392.886	5.277	50	10		GKCAHM
COc1ccc([C@@H](NC(=O)Cc2ccccc2)c2c([O-])ccc3ccccc32)cc1	ZINC000000970916	570232620	/nfs/dbraw/zinc/23/26/20/570232620.db2.gz	VYPUVVGXWOVISS-AREMUKBSSA-N	-1	3	397.474	5.002	50	10		GKCAHM
CCCCCCc1c(C)c2cc(Cl)c([O-])c(CN3CCCC3)c2oc1=O	ZINC000020327583	570252086	/nfs/dbraw/zinc/25/20/86/570252086.db2.gz	AHVQIWUONADAMS-UHFFFAOYSA-N	-1	3	377.912	5.179	50	10		GKCAHM
Cc1ccc([C@H](NC(=O)CCc2ccccc2)c2c([O-])ccc3ccccc32)cc1	ZINC000002817155	570304721	/nfs/dbraw/zinc/30/47/21/570304721.db2.gz	YKPNZUGHNROUQU-MHZLTWQESA-N	-1	3	395.502	5.692	50	10		GKCAHM
CCOc1ccc(C2=N[C@@H](c3ccc(C)cc3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000053363064	570312318	/nfs/dbraw/zinc/31/23/18/570312318.db2.gz	XCNDWTFGVVDEOV-ILBGXUMGSA-N	-1	3	386.495	5.322	50	10		GKCAHM
CCc1ccc([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000002868281	570313295	/nfs/dbraw/zinc/31/32/95/570313295.db2.gz	AYLNNOFJYOLIGI-OAQYLSRUSA-N	-1	3	389.886	5.753	50	10		GKCAHM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1cccc(C(F)(F)F)c1	ZINC000016160826	570318497	/nfs/dbraw/zinc/31/84/97/570318497.db2.gz	NJVLQLIJJYHPOH-YBEGLDIGSA-N	-1	3	379.769	5.077	50	10		GKCAHM
Cc1ccnc(N[C@@H](c2ccc(OC(C)C)cc2)c2ccc3cccnc3c2[O-])c1	ZINC000004178177	570361163	/nfs/dbraw/zinc/36/11/63/570361163.db2.gz	YKZKWSQMGGRFSG-QHCPKHFHSA-N	-1	3	399.494	5.633	50	10		GKCAHM
COc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])cc1	ZINC000004631201	570389036	/nfs/dbraw/zinc/38/90/36/570389036.db2.gz	AZRSNEKCPHXKFJ-JOCHJYFZSA-N	-1	3	385.467	5.162	50	10		GKCAHM
COc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2[O-])cc1C	ZINC000004631185	570389107	/nfs/dbraw/zinc/38/91/07/570389107.db2.gz	DKQBPEMVMILWCL-QHCPKHFHSA-N	-1	3	399.494	5.471	50	10		GKCAHM
COc1ccc(C)cc1N[C@@H](c1ccc(F)cc1)c1ccc2cccnc2c1[O-]	ZINC000005009307	570394985	/nfs/dbraw/zinc/39/49/85/570394985.db2.gz	YOYNEULMQQSMAC-QFIPXVFZSA-N	-1	3	388.442	5.598	50	10		GKCAHM
[O-]c1ccccc1[C@@H]1Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1	ZINC000090715377	570411118	/nfs/dbraw/zinc/41/11/18/570411118.db2.gz	FKEXVKROWRMIGK-RUZDIDTESA-N	-1	3	379.459	5.825	50	10		GKCAHM
Cc1ccc([C@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])s1	ZINC000004998388	570422669	/nfs/dbraw/zinc/42/26/69/570422669.db2.gz	XRBPURWCUNERFH-OAQYLSRUSA-N	-1	3	375.497	5.524	50	10		GKCAHM
Cc1cccc(N[C@H](c2cccc(Cl)c2)c2ccc3cccnc3c2[O-])n1	ZINC000005102441	570429561	/nfs/dbraw/zinc/42/95/61/570429561.db2.gz	AQUHDFIBNORODJ-HXUWFJFHSA-N	-1	3	375.859	5.499	50	10	aggregator	GKCAHM
O=[N+]([O-])c1ccc(-c2csc(NCc3c([O-])ccc4ccccc43)n2)cc1	ZINC000002826587	570519415	/nfs/dbraw/zinc/51/94/15/570519415.db2.gz	REVRIYWCOUBTDG-UHFFFAOYSA-N	-1	3	377.425	5.189	50	10		GKCAHM
CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4[O-])=NN32)cc1	ZINC000006721613	570550198	/nfs/dbraw/zinc/55/01/98/570550198.db2.gz	OTSIHDQYSYRJLK-XUZZJYLKSA-N	-1	3	386.451	5.033	50	10		GKCAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccsc1	ZINC000006721639	570550233	/nfs/dbraw/zinc/55/02/33/570550233.db2.gz	NBYDNFZHSQTOBA-FXAWDEMLSA-N	-1	3	382.872	5.349	50	10		GKCAHM
Cc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2[O-])s1	ZINC000005533966	570627876	/nfs/dbraw/zinc/62/78/76/570627876.db2.gz	YKPWXWMEESFCMT-NRFANRHFSA-N	-1	3	375.497	5.524	50	10		GKCAHM
CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc(Cl)c(Cl)c1	ZINC000012410888	570656071	/nfs/dbraw/zinc/65/60/71/570656071.db2.gz	KZEFGZXDJOCNCW-PTNGSMBKSA-N	-1	3	392.261	5.631	50	10		GKCAHM
[O-]c1ccc2ccccc2c1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21	ZINC000072332605	570705481	/nfs/dbraw/zinc/70/54/81/570705481.db2.gz	TVRFJLHWUDGNFT-BKMJKUGQSA-N	-1	3	392.458	5.788	50	10		GKCAHM
[O-]c1c([C@H](Nc2cccc(C(F)(F)F)c2)c2ccccn2)ccc2cccnc21	ZINC000000946886	570734632	/nfs/dbraw/zinc/73/46/32/570734632.db2.gz	OTWALNVEORMFIX-FQEVSTJZSA-N	-1	3	395.384	5.556	50	10		GKCAHM
Cc1ccnc(N[C@H](c2ccc(C(C)C)cc2)c2ccc3cccnc3c2[O-])c1	ZINC000013060381	570744801	/nfs/dbraw/zinc/74/48/01/570744801.db2.gz	IUBFBKTYCGEBEG-HSZRJFAPSA-N	-1	3	383.495	5.969	50	10		GKCAHM
Cc1[n-]n(-c2ccccc2)c(=S)c1C=Nc1ccc(Cl)c2cccnc12	ZINC000096602213	570774829	/nfs/dbraw/zinc/77/48/29/570774829.db2.gz	BDCOHPOIRBHUCP-VBKFSLOCSA-N	-1	3	378.888	5.408	50	10		GKCAHM
[O-]c1ccccc1CN(Cc1ccco1)Cc1ccc(Cl)nc1C(F)(F)F	ZINC000170605226	570863796	/nfs/dbraw/zinc/86/37/96/570863796.db2.gz	OUYMEPVTWZRXTK-UHFFFAOYSA-N	-1	3	396.796	5.255	50	10		GKCAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@H]2c1cccs1	ZINC000102907288	570870958	/nfs/dbraw/zinc/87/09/58/570870958.db2.gz	HLSDCQMVEFGPRL-UZLBHIALSA-N	-1	3	382.872	5.349	50	10		GKCAHM
COc1cccc2c1O[C@H](c1sccc1C)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000102907437	570871258	/nfs/dbraw/zinc/87/12/58/570871258.db2.gz	YZPNYGRCHNILRR-VGOFRKELSA-N	-1	3	392.480	5.013	50	10		GKCAHM
Cc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000004729197	570884216	/nfs/dbraw/zinc/88/42/16/570884216.db2.gz	NITYMXZFIUSRRK-GGAORHGYSA-N	-1	3	376.887	5.577	50	10		GKCAHM
CCCCCC[C@]1(C)N=C(c2ccc(Cl)cc2)C[C@H](c2ccccc2[O-])N1	ZINC000004729864	570884847	/nfs/dbraw/zinc/88/48/47/570884847.db2.gz	QYHFSKBMZCWCKC-FYYLOGMGSA-N	-1	3	384.951	6.256	50	10		GKCAHM
O=C(Nc1ccccc1F)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000032933007	570945892	/nfs/dbraw/zinc/94/58/92/570945892.db2.gz	KEUFIOARTJXQGF-QHCPKHFHSA-N	-1	3	386.426	5.596	50	10		GKCAHM
COc1ccc2c(c1)CCCN2Cc1c([O-])ccc2cc(Br)ccc21	ZINC000083970019	570985711	/nfs/dbraw/zinc/98/57/11/570985711.db2.gz	ALTKCWNKPAGBBT-UHFFFAOYSA-N	-1	3	398.300	5.269	50	10		GKCAHM
Cc1ccnc(N[C@@H](c2ccc(N(C)C)cc2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000015016649	210143410	/nfs/dbraw/zinc/14/34/10/210143410.db2.gz	QYAJBOGTVUKEEW-QHCPKHFHSA-N	-1	3	398.510	5.220	50	10		GKCAHM
Cc1ccc2ccc([C@H](Nc3ccccn3)c3cccc(Cl)c3)c([O-])c2n1	ZINC000002502830	209368460	/nfs/dbraw/zinc/36/84/60/209368460.db2.gz	AQPFIEMLHIVYAM-HXUWFJFHSA-N	-1	3	375.859	5.499	50	10		GKCAHM
CCOc1cccc([C@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000002095013	209346182	/nfs/dbraw/zinc/34/61/82/209346182.db2.gz	KGZSXOLZAURDIX-QHCPKHFHSA-N	-1	3	399.494	5.552	50	10		GKCAHM
CCOc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])cc1C	ZINC000002073836	209344610	/nfs/dbraw/zinc/34/46/10/209344610.db2.gz	WNNRRYFKFYPPNA-HSZRJFAPSA-N	-1	3	399.494	5.552	50	10		GKCAHM
COc1cccc2c1O[C@H](c1sccc1C)N1N=C(c3ccccc3[O-])C[C@@H]21	ZINC000010215845	212238575	/nfs/dbraw/zinc/23/85/75/212238575.db2.gz	YZPNYGRCHNILRR-HTAPYJJXSA-N	-1	3	392.480	5.013	50	10		GKCAHM
CCCC(=O)N[C@H](c1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000801097	212181963	/nfs/dbraw/zinc/18/19/63/212181963.db2.gz	VTPUBOAPEQSTFS-GOSISDBHSA-N	-1	3	389.282	5.253	50	10		GKCAHM
Cc1ccc([C@@H](NC(=O)CCc2ccccc2)c2ccc3cccnc3c2[O-])cc1	ZINC000000801019	212183033	/nfs/dbraw/zinc/18/30/33/212183033.db2.gz	NTOMTWHLAMHYRJ-XMMPIXPASA-N	-1	3	396.490	5.087	50	10		GKCAHM
Cc1ccc2ccc([C@@H](Nc3ccccn3)c3c(F)cccc3Cl)c([O-])c2n1	ZINC000004151019	204028678	/nfs/dbraw/zinc/02/86/78/204028678.db2.gz	PRABZMUPZPFTLS-OAQYLSRUSA-N	-1	3	393.849	5.638	50	10		GKCAHM
COc1cccc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000004178195	204032210	/nfs/dbraw/zinc/03/22/10/204032210.db2.gz	FEQPLAMQCMIQNR-QFIPXVFZSA-N	-1	3	385.467	5.162	50	10		GKCAHM
Cc1ccc(C2=N[C@H](c3cccc(Cl)c3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000004730071	204069207	/nfs/dbraw/zinc/06/92/07/204069207.db2.gz	NNYZZKFBMMEYRT-GMAHTHKFSA-N	-1	3	376.887	5.577	50	10		GKCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1cccs1	ZINC000006721649	204194383	/nfs/dbraw/zinc/19/43/83/204194383.db2.gz	HYISJSLPTBJNBH-JXFKEZNVSA-N	-1	3	382.872	5.349	50	10		GKCAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@@H]2c1cccs1	ZINC000006721637	204194541	/nfs/dbraw/zinc/19/45/41/204194541.db2.gz	HLSDCQMVEFGPRL-OXJNMPFZSA-N	-1	3	382.872	5.349	50	10		GKCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1cccs1	ZINC000006721650	204194871	/nfs/dbraw/zinc/19/48/71/204194871.db2.gz	HYISJSLPTBJNBH-UZLBHIALSA-N	-1	3	382.872	5.349	50	10		GKCAHM
[O-]c1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=N[C@@H](c2ccc(Cl)cc2)N1	ZINC000053363519	205135921	/nfs/dbraw/zinc/13/59/21/205135921.db2.gz	TXUHOCWOHJNUOL-RBBKRZOGSA-N	-1	3	397.305	5.922	50	10		GKCAHM
[O-]c1ccc(Cl)cc1C1=NN(c2ccccc2)[C@H](c2ccc(Cl)cc2)C1	ZINC000004808336	206294003	/nfs/dbraw/zinc/29/40/03/206294003.db2.gz	ZWDHVCLAPIPKIO-FQEVSTJZSA-N	-1	3	383.278	6.055	50	10		GKCAHM
CCOc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000010215910	206374714	/nfs/dbraw/zinc/37/47/14/206374714.db2.gz	WONRCFAFRBIBSK-XMSQKQJNSA-N	-1	3	392.480	5.095	50	10		GKCAHM
C[C@H](c1ccccc1)N(Cc1nc(-c2ccccc2)no1)Cc1ccccc1[O-]	ZINC000095410941	208181103	/nfs/dbraw/zinc/18/11/03/208181103.db2.gz	IGFSLPHQSBVPAB-GOSISDBHSA-N	-1	3	385.467	5.206	50	10		GKCAHM
CCN(CC)Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc21	ZINC000019791521	210298555	/nfs/dbraw/zinc/29/85/55/210298555.db2.gz	XAIKVBJJAGTVAY-UHFFFAOYSA-N	-1	3	391.389	5.026	50	10	biogenic	GKCAHM
COCc1cccc(C(=O)N[C@@H](c2ccccc2)c2c([O-])ccc3ccccc32)c1	ZINC000010912782	221108143	/nfs/dbraw/zinc/10/81/43/221108143.db2.gz	XEZAXOYZLBTXRH-VWLOTQADSA-N	-1	3	397.474	5.211	50	10		GKCAHM
CC[C@@H]1CCCCN1Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C)oc21	ZINC000012599675	221213247	/nfs/dbraw/zinc/21/32/47/221213247.db2.gz	MFGLRGZFHYYCAC-GOSISDBHSA-N	-1	3	377.484	5.239	50	10		GKCAHM
CCOc1cccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000018190449	221389137	/nfs/dbraw/zinc/38/91/37/221389137.db2.gz	XKIAXDVGTLQPMF-JOCHJYFZSA-N	-1	3	385.467	5.244	50	10		GKCAHM
Cc1cc(C)cc(Oc2coc3c(ccc([O-])c3CN3CCC(C)CC3)c2=O)c1	ZINC000019791714	221453857	/nfs/dbraw/zinc/45/38/57/221453857.db2.gz	LCSCSELEPDBRDY-UHFFFAOYSA-N	-1	3	393.483	5.140	50	10		GKCAHM
[O-]c1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=N[C@H](c2ccc(Cl)cc2)N1	ZINC000053363521	222008956	/nfs/dbraw/zinc/00/89/56/222008956.db2.gz	TXUHOCWOHJNUOL-IRLDBZIGSA-N	-1	3	397.305	5.922	50	10		GKCAHM
COc1ccccc1[C@@H]1N=C(c2ccc(Cl)cc2)C[C@@H](c2ccccc2[O-])N1	ZINC000053363442	222009077	/nfs/dbraw/zinc/00/90/77/222009077.db2.gz	QXRSZGXVBKXVKP-NZQKXSOJSA-N	-1	3	392.886	5.277	50	10		GKCAHM
Cc1ccc([C@@H]2N=C(c3ccc(Cl)cc3)C[C@H](c3ccccc3[O-])N2)cc1	ZINC000053363454	222009087	/nfs/dbraw/zinc/00/90/87/222009087.db2.gz	BMBRDDYTNNOPMH-FYYLOGMGSA-N	-1	3	376.887	5.577	50	10		GKCAHM
CCOc1ccc(C2=N[C@H](c3ccc(C)cc3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000053363074	222010011	/nfs/dbraw/zinc/01/00/11/222010011.db2.gz	XCNDWTFGVVDEOV-NOZRDPDXSA-N	-1	3	386.495	5.322	50	10		GKCAHM
COc1ccc([C@H]2N=C(c3ccc(Cl)cc3)C[C@H](c3ccccc3[O-])N2)cc1	ZINC000053363463	222010140	/nfs/dbraw/zinc/01/01/40/222010140.db2.gz	YTMUYFSGXJPTPW-GGAORHGYSA-N	-1	3	392.886	5.277	50	10		GKCAHM
Cc1ccsc1[C@H]1N=C(c2ccccc2O)C[C@H](c2cc(Cl)ccc2[O-])N1	ZINC000058083421	222039373	/nfs/dbraw/zinc/03/93/73/222039373.db2.gz	CWWHATHNDCDFTA-UTKZUKDTSA-N	-1	3	398.915	5.344	50	10		GKCAHM
COc1ccc(C2=N[C@H](c3ccsc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000058083447	222039573	/nfs/dbraw/zinc/03/95/73/222039573.db2.gz	KFZQLGRTBCKKQH-CTNGQTDRSA-N	-1	3	398.915	5.338	50	10		GKCAHM
Cc1cccc(OCC(=O)N[C@H](c2ccccc2)c2c([O-])ccc3ccccc32)c1	ZINC000000943244	570230898	/nfs/dbraw/zinc/23/08/98/570230898.db2.gz	DJKUTRLDKFXAES-AREMUKBSSA-N	-1	3	397.474	5.138	50	10		GKCAHM
Cc1c2cc(Cl)c([O-])c(CN3CCCCC3)c2oc(=O)c1Cc1ccccc1	ZINC000020332586	570252654	/nfs/dbraw/zinc/25/26/54/570252654.db2.gz	UUCGNINPDICURJ-UHFFFAOYSA-N	-1	3	397.902	5.037	50	10		GKCAHM
O=C(N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1ccccc1Cl	ZINC000001782195	570268430	/nfs/dbraw/zinc/26/84/30/570268430.db2.gz	VCSPTDWYLJBNPY-QHCPKHFHSA-N	-1	3	387.866	5.718	50	10	aggregator	GKCAHM
[O-]c1c([C@@H](Nc2ccccn2)c2cccc(Cl)c2Cl)ccc2cccnc21	ZINC000002742970	570297599	/nfs/dbraw/zinc/29/75/99/570297599.db2.gz	FMUBUUSODRAEMS-FQEVSTJZSA-N	-1	3	396.277	5.844	50	10		GKCAHM
CC(C)(C)c1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1	ZINC000002745421	570297836	/nfs/dbraw/zinc/29/78/36/570297836.db2.gz	RWFNQAOHQVYJRV-QFIPXVFZSA-N	-1	3	383.495	5.834	50	10		GKCAHM
CCc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2[O-])cc1	ZINC000002838753	570306761	/nfs/dbraw/zinc/30/67/61/570306761.db2.gz	VMJSGPIXIRITKR-QHCPKHFHSA-N	-1	3	383.495	5.716	50	10		GKCAHM
Cc1ccc(C)c([C@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2[O-])c1	ZINC000002868405	570313278	/nfs/dbraw/zinc/31/32/78/570313278.db2.gz	JWBUCSUIVCHQRM-NRFANRHFSA-N	-1	3	389.886	5.807	50	10		GKCAHM
[O-]c1ccc(Br)cc1C1N(c2ccccc2)CCN1c1ccccc1	ZINC000002895163	570317409	/nfs/dbraw/zinc/31/74/09/570317409.db2.gz	JSTSFTHQVJPXBB-UHFFFAOYSA-N	-1	3	395.300	5.180	50	10		GKCAHM
[O-]c1c([C@@H](Nc2ccccn2)c2c(Cl)cccc2Cl)ccc2cccnc21	ZINC000002977880	570321670	/nfs/dbraw/zinc/32/16/70/570321670.db2.gz	WOPDKGYYANFDPZ-HXUWFJFHSA-N	-1	3	396.277	5.844	50	10		GKCAHM
COc1ccc([C@@H](NC(=O)C2CCCCC2)c2c([O-])ccc3ccccc32)cc1	ZINC000002997991	570324953	/nfs/dbraw/zinc/32/49/53/570324953.db2.gz	AOKXVRMFXRYFGO-XMMPIXPASA-N	-1	3	389.495	5.340	50	10	aggregator	GKCAHM
Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(C(C)C)cc3)c([O-])c2n1	ZINC000003003782	570325853	/nfs/dbraw/zinc/32/58/53/570325853.db2.gz	QDVOKVIYOIYLAM-QHCPKHFHSA-N	-1	3	383.495	5.969	50	10		GKCAHM
CCc1cc2c(=O)c(-c3ccc(F)cc3)c(C)oc2c(CN2CCCCC2)c1[O-]	ZINC000004263634	570364426	/nfs/dbraw/zinc/36/44/26/570364426.db2.gz	SSVWDZIUPCOHJN-UHFFFAOYSA-N	-1	3	395.474	5.161	50	10		GKCAHM
[O-]c1c([C@@H](Nc2ccccn2)c2cccc(F)c2)cc(Cl)c2cccnc12	ZINC000005049427	570426088	/nfs/dbraw/zinc/42/60/88/570426088.db2.gz	NXUVJIYFYUHBAC-IBGZPJMESA-N	-1	3	379.822	5.329	50	10		GKCAHM
Cc1cccc(N[C@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2[O-])n1	ZINC000005102331	570429471	/nfs/dbraw/zinc/42/94/71/570429471.db2.gz	ALVSIURCXDRPIW-HXUWFJFHSA-N	-1	3	375.859	5.499	50	10		GKCAHM
O=C(c1ccccc1)N1N=C(c2cc(Cl)ccc2[O-])C[C@H]1c1ccccc1	ZINC000005155667	570432721	/nfs/dbraw/zinc/43/27/21/570432721.db2.gz	XBFYVSQUFFTIOC-FQEVSTJZSA-N	-1	3	376.843	5.037	50	10		GKCAHM
[O-]c1c([C@@H](Nc2ccccn2)c2c(F)cccc2Cl)ccc2cccnc12	ZINC000005590468	570447961	/nfs/dbraw/zinc/44/79/61/570447961.db2.gz	YROVRAVZEVZWSW-HXUWFJFHSA-N	-1	3	379.822	5.329	50	10		GKCAHM
O=C(c1ccccc1)N1N=C(c2ccc3ccccc3c2[O-])C[C@@H]1c1ccccc1	ZINC000005164839	570473147	/nfs/dbraw/zinc/47/31/47/570473147.db2.gz	OLGFMJSXJNPSHX-XMMPIXPASA-N	-1	3	392.458	5.537	50	10		GKCAHM
[O-]c1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21	ZINC000006863810	570497173	/nfs/dbraw/zinc/49/71/73/570497173.db2.gz	QFGWWMOKECHORR-SIKLNZKXSA-N	-1	3	376.843	5.288	50	10		GKCAHM
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cccc(Nc2ccccc2)c1	ZINC000006646102	570515027	/nfs/dbraw/zinc/51/50/27/570515027.db2.gz	NYQSTHBBQLARAJ-JLPGSUDCSA-N	-1	3	396.494	5.766	50	10		GKCAHM
COc1ccc([C@H](NC(=O)c2ccccc2)c2c([O-])ccc3ccccc32)cc1	ZINC000000855829	570533803	/nfs/dbraw/zinc/53/38/03/570533803.db2.gz	LYQSBPSHBBYBID-DEOSSOPVSA-N	-1	3	383.447	5.073	50	10		GKCAHM
COc1cccc(C(=O)N[C@@H](c2ccccc2)c2c([O-])ccc3ccccc32)c1	ZINC000001170126	570534956	/nfs/dbraw/zinc/53/49/56/570534956.db2.gz	LEJAAHYFLBUKNT-DEOSSOPVSA-N	-1	3	383.447	5.073	50	10		GKCAHM
Cc1ccnc(N[C@H](c2ccc3cccnc3c2[O-])c2c(C)cc(C)cc2C)c1	ZINC000002882453	570539079	/nfs/dbraw/zinc/53/90/79/570539079.db2.gz	AIYGOCRMUXRJCZ-XMMPIXPASA-N	-1	3	383.495	5.771	50	10		GKCAHM
Cc1ccnc(N[C@@H](c2ccc3cccnc3c2[O-])c2c(C)cc(C)cc2C)c1	ZINC000002882452	570539106	/nfs/dbraw/zinc/53/91/06/570539106.db2.gz	AIYGOCRMUXRJCZ-DEOSSOPVSA-N	-1	3	383.495	5.771	50	10		GKCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1ccsc1	ZINC000006721652	570550451	/nfs/dbraw/zinc/55/04/51/570550451.db2.gz	OBGGTHZXSLXUPC-XLIONFOSSA-N	-1	3	382.872	5.349	50	10		GKCAHM
CCc1ccc([C@@H]2c3cccn3CCCN2Cc2cc(Cl)ccc2[O-])cc1	ZINC000036348097	570630885	/nfs/dbraw/zinc/63/08/85/570630885.db2.gz	MKYONUCYGXKGDV-HSZRJFAPSA-N	-1	3	380.919	5.405	50	10		GKCAHM
[O-]c1ccc(Br)cc1CNc1ccc(Cl)c(C(F)(F)F)c1	ZINC000044836275	570634532	/nfs/dbraw/zinc/63/45/32/570634532.db2.gz	RDYSSDYNOLPGHZ-UHFFFAOYSA-N	-1	3	380.591	5.439	50	10		GKCAHM
[O-]c1ccc(-c2ccccc2)cc1CN1CCN(c2ccccc2Cl)CC1	ZINC000055183237	570686226	/nfs/dbraw/zinc/68/62/26/570686226.db2.gz	OFCRPRPBKOVUON-UHFFFAOYSA-N	-1	3	378.903	5.035	50	10		GKCAHM
[O-]c1c([C@H](Nc2nc3ccccc3s2)c2cccs2)ccc2cccnc21	ZINC000001014207	570746806	/nfs/dbraw/zinc/74/68/06/570746806.db2.gz	HMEPNUZRUJTFBY-IBGZPJMESA-N	-1	3	389.505	5.813	50	10		GKCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1cccs1	ZINC000102907354	570871373	/nfs/dbraw/zinc/87/13/73/570871373.db2.gz	HYISJSLPTBJNBH-OXQOHEQNSA-N	-1	3	382.872	5.349	50	10		GKCAHM
Cc1ccnc(N[C@H](c2ccc(C(C)(C)C)cc2)c2ccc3cccnc3c2[O-])c1	ZINC000015015552	210142959	/nfs/dbraw/zinc/14/29/59/210142959.db2.gz	ZTZYFPVPRKUORH-HSZRJFAPSA-N	-1	3	397.522	6.143	50	10		GKCAHM
COc1ccccc1[C@@H](NC(=O)Cc1ccccc1)c1c([O-])ccc2ccccc21	ZINC000002921378	209397856	/nfs/dbraw/zinc/39/78/56/209397856.db2.gz	WWYYCBPSSDZQAI-AREMUKBSSA-N	-1	3	397.474	5.002	50	10		GKCAHM
O=C(N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1ccc(Cl)cc1	ZINC000001782191	209338017	/nfs/dbraw/zinc/33/80/17/209338017.db2.gz	QNBCEZYIHVVQIB-HSZRJFAPSA-N	-1	3	387.866	5.718	50	10		GKCAHM
CCOc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000010215900	209321231	/nfs/dbraw/zinc/32/12/31/209321231.db2.gz	DVGJRPMQFOVWIW-VGSWGCGISA-N	-1	3	392.480	5.095	50	10		GKCAHM
O=C(N[C@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1[O-])C1CCCCC1	ZINC000000869250	209274936	/nfs/dbraw/zinc/27/49/36/209274936.db2.gz	FEMAOGCTYDYUOH-HXUWFJFHSA-N	-1	3	394.902	5.380	50	10		GKCAHM
O=C(N[C@@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1[O-])C1CCCCC1	ZINC000000869251	209274447	/nfs/dbraw/zinc/27/44/47/209274447.db2.gz	FEMAOGCTYDYUOH-FQEVSTJZSA-N	-1	3	394.902	5.380	50	10		GKCAHM
CCCCCn1c2ccccc2nc1NCc1cc(Br)ccc1[O-]	ZINC000001813728	212257638	/nfs/dbraw/zinc/25/76/38/212257638.db2.gz	RWTUILROGKDFQL-UHFFFAOYSA-N	-1	3	388.309	5.307	50	10		GKCAHM
CC(C)c1ccc([C@H](Nc2nccs2)c2ccc3cccnc3c2[O-])cc1	ZINC000001463275	212246221	/nfs/dbraw/zinc/24/62/21/212246221.db2.gz	LNZRFASRIXMRSJ-IBGZPJMESA-N	-1	3	375.497	5.722	50	10		GKCAHM
C[C@H]1CCCN(Cc2c([O-])ccc3c(=O)c(-c4ccc(Cl)cc4)coc32)C1	ZINC000019793080	212149798	/nfs/dbraw/zinc/14/97/98/212149798.db2.gz	CTFKKFIZHGGSNR-AWEZNQCLSA-N	-1	3	383.875	5.051	50	10	biogenic	GKCAHM
COc1ccc(C(=O)N[C@H](c2ccccc2)c2c([O-])ccc3ccccc32)cc1	ZINC000001229198	212060428	/nfs/dbraw/zinc/06/04/28/212060428.db2.gz	KCKKNZJPHWKMIQ-XMMPIXPASA-N	-1	3	383.447	5.073	50	10		GKCAHM
Cc1ccnc(N[C@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2[O-])c1	ZINC000004138532	204029586	/nfs/dbraw/zinc/02/95/86/204029586.db2.gz	HHGMSICOFPELRA-HXUWFJFHSA-N	-1	3	375.859	5.499	50	10		GKCAHM
CCCCCC[C@@]1(C)N=C(c2ccc3c(c2)OCO3)C[C@@H](c2ccccc2[O-])N1	ZINC000004729866	204069449	/nfs/dbraw/zinc/06/94/49/204069449.db2.gz	POIOLPVZKOAMKS-RDPSFJRHSA-N	-1	3	394.515	5.331	50	10		GKCAHM
CCCCCC[C@]1(C)N=C(c2ccc3c(c2)OCO3)C[C@H](c2ccccc2[O-])N1	ZINC000004729870	204069792	/nfs/dbraw/zinc/06/97/92/204069792.db2.gz	POIOLPVZKOAMKS-HYBUGGRVSA-N	-1	3	394.515	5.331	50	10		GKCAHM
Cc1ccc(C2=N[C@](C)(c3cccc(Cl)c3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000053364613	205136308	/nfs/dbraw/zinc/13/63/08/205136308.db2.gz	ZQLSFYAFFFPSEJ-UPVQGACJSA-N	-1	3	390.914	5.751	50	10		GKCAHM
Cc1ccc([C@H]2N=C(c3ccc(Cl)cc3)C[C@H](c3ccccc3[O-])N2)cc1	ZINC000053363456	205137044	/nfs/dbraw/zinc/13/70/44/205137044.db2.gz	BMBRDDYTNNOPMH-GGAORHGYSA-N	-1	3	376.887	5.577	50	10		GKCAHM
COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000053362930	205137135	/nfs/dbraw/zinc/13/71/35/205137135.db2.gz	AZXXITQOMXYZKP-GMAHTHKFSA-N	-1	3	392.886	5.277	50	10		GKCAHM
CCOc1ccc(C2=N[C@@H](c3ccc(C)cc3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000053363065	205137217	/nfs/dbraw/zinc/13/72/17/205137217.db2.gz	XCNDWTFGVVDEOV-UKILVPOCSA-N	-1	3	386.495	5.322	50	10		GKCAHM
Cc1ccc(C2=N[C@@](C)(c3cccc(Cl)c3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000053364620	205137310	/nfs/dbraw/zinc/13/73/10/205137310.db2.gz	ZQLSFYAFFFPSEJ-LADGPHEKSA-N	-1	3	390.914	5.751	50	10		GKCAHM
Cc1ccc(C2=N[C@@H](c3cccc(Cl)c3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000004730072	206547921	/nfs/dbraw/zinc/54/79/21/206547921.db2.gz	NNYZZKFBMMEYRT-JTHBVZDNSA-N	-1	3	376.887	5.577	50	10		GKCAHM
O=C(c1ccccc1Cl)N1N=C(c2ccccc2[O-])C[C@H]1c1ccccc1	ZINC000089827843	211186666	/nfs/dbraw/zinc/18/66/66/211186666.db2.gz	YMOLQCOCGKRKKP-FQEVSTJZSA-N	-1	3	376.843	5.037	50	10		GKCAHM
[O-]c1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21	ZINC000072332608	211091545	/nfs/dbraw/zinc/09/15/45/211091545.db2.gz	XCTBHBDMOWXGHC-DENIHFKCSA-N	-1	3	376.843	5.288	50	10		GKCAHM
CCc1ccc(C2=N[C@H](c3ccccc3OC)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000058135954	210908188	/nfs/dbraw/zinc/90/81/88/210908188.db2.gz	TYXUHUFTFRTZNS-DHLKQENFSA-N	-1	3	386.495	5.186	50	10		GKCAHM
[O-]c1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=N[C@@H](c2ccc(F)cc2)N1	ZINC000053363446	210872418	/nfs/dbraw/zinc/87/24/18/210872418.db2.gz	TUFINIDUSUBAOP-IFMALSPDSA-N	-1	3	380.850	5.407	50	10		GKCAHM
[O-]c1ccc2ccccc2c1C1N(Cc2ccccc2)CCN1Cc1ccccc1	ZINC000019300090	207114561	/nfs/dbraw/zinc/11/45/61/207114561.db2.gz	ZIUFOEDEFZZIGM-UHFFFAOYSA-N	-1	3	394.518	5.562	50	10		GKCAHM
Cc1ccc(C2=N[C@H](c3c(F)cccc3Cl)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000020765181	207213730	/nfs/dbraw/zinc/21/37/30/207213730.db2.gz	BFGIXDHPYXCMMC-REWPJTCUSA-N	-1	3	394.877	5.716	50	10		GKCAHM
CCOc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1[O-]	ZINC000015016211	221326601	/nfs/dbraw/zinc/32/66/01/221326601.db2.gz	BAPKTBYGPQCKON-VGOFRKELSA-N	-1	3	392.480	5.095	50	10		GKCAHM
Cc1cccc(N2CCN(Cc3cc4oc5ccccc5c4cc3[O-])CC2)c1C	ZINC000058444968	136155501	/nfs/dbraw/zinc/15/55/01/136155501.db2.gz	YTSORUKRFIBUDX-UHFFFAOYSA-N	-1	3	386.495	5.231	50	10		GKCAHM
COc1ccc(C2=N[C@H](c3cccc(Cl)c3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000053364852	222008836	/nfs/dbraw/zinc/00/88/36/222008836.db2.gz	GYKOZKDUXZVEGM-GMAHTHKFSA-N	-1	3	392.886	5.277	50	10		GKCAHM
[O-]c1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=N[C@H](c2ccc(Cl)cc2)N1	ZINC000053363522	222009777	/nfs/dbraw/zinc/00/97/77/222009777.db2.gz	TXUHOCWOHJNUOL-UNMCSNQZSA-N	-1	3	397.305	5.922	50	10		GKCAHM
CCN(CC)Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3Cl)coc21	ZINC000019789602	570218915	/nfs/dbraw/zinc/21/89/15/570218915.db2.gz	MMMMLHVMDHJCGY-UHFFFAOYSA-N	-1	3	392.282	5.314	50	10		GKCAHM
COc1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])cc1C	ZINC000001159969	570251456	/nfs/dbraw/zinc/25/14/56/570251456.db2.gz	JESKFHBAGSEHPY-JOCHJYFZSA-N	-1	3	385.467	5.162	50	10	aggregator	GKCAHM
CCCOc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])cc1	ZINC000002834635	570305677	/nfs/dbraw/zinc/30/56/77/570305677.db2.gz	VWFITOYWQVZLRO-QHCPKHFHSA-N	-1	3	399.494	5.634	50	10		GKCAHM
Cc1ccnc(N[C@H](c2ccc3ccc(C)nc3c2[O-])c2cc(C)ccc2C)c1	ZINC000002839074	570306636	/nfs/dbraw/zinc/30/66/36/570306636.db2.gz	LWRIRUDIKOTCLE-XMMPIXPASA-N	-1	3	383.495	5.771	50	10		GKCAHM
Cc1ccc(C)c([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2[O-])c1	ZINC000002868406	570313303	/nfs/dbraw/zinc/31/33/03/570313303.db2.gz	JWBUCSUIVCHQRM-OAQYLSRUSA-N	-1	3	389.886	5.807	50	10		GKCAHM
Cc1cccc(N[C@H](c2ccc(N(C)C)cc2)c2ccc3ccc(C)nc3c2[O-])n1	ZINC000004164726	570360526	/nfs/dbraw/zinc/36/05/26/570360526.db2.gz	HOCWFUDKLDDDRQ-HSZRJFAPSA-N	-1	3	398.510	5.220	50	10		GKCAHM
[O-]c1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21	ZINC000025558806	570415627	/nfs/dbraw/zinc/41/56/27/570415627.db2.gz	QFGWWMOKECHORR-DENIHFKCSA-N	-1	3	376.843	5.288	50	10		GKCAHM
Cc1cccc(N[C@@H](c2cccc(Cl)c2)c2ccc3cccnc3c2[O-])n1	ZINC000005102440	570429534	/nfs/dbraw/zinc/42/95/34/570429534.db2.gz	AQUHDFIBNORODJ-FQEVSTJZSA-N	-1	3	375.859	5.499	50	10	aggregator	GKCAHM
Cc1ccnc(N[C@H](c2ccccc2Cl)c2ccc3cccnc3c2[O-])c1	ZINC000005588686	570447716	/nfs/dbraw/zinc/44/77/16/570447716.db2.gz	BKOLRAXMMXDABH-OAQYLSRUSA-N	-1	3	375.859	5.499	50	10		GKCAHM
Cc1ccsc1[C@H](Nc1cccc(C)n1)c1ccc2ccc(C)nc2c1[O-]	ZINC000005740673	570454597	/nfs/dbraw/zinc/45/45/97/570454597.db2.gz	DDEXKWRWFNUKNE-HXUWFJFHSA-N	-1	3	375.497	5.524	50	10		GKCAHM
Cc1cc(C)cc(Oc2c(C)oc3c(ccc([O-])c3CN3CCCCC3)c2=O)c1	ZINC000005182787	570496712	/nfs/dbraw/zinc/49/67/12/570496712.db2.gz	FDPXOHKQNVGSNF-UHFFFAOYSA-N	-1	3	393.483	5.202	50	10		GKCAHM
COc1ccccc1[C@H](NC(=O)C1CCCCC1)c1ccc2ccccc2c1[O-]	ZINC000002997758	570539366	/nfs/dbraw/zinc/53/93/66/570539366.db2.gz	XRNVRLBZCFLYOT-QHCPKHFHSA-N	-1	3	389.495	5.340	50	10		GKCAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@@H]2c1cccs1	ZINC000006721638	570550347	/nfs/dbraw/zinc/55/03/47/570550347.db2.gz	HLSDCQMVEFGPRL-OXQOHEQNSA-N	-1	3	382.872	5.349	50	10		GKCAHM
Cc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2[O-])s1	ZINC000005533953	570664168	/nfs/dbraw/zinc/66/41/68/570664168.db2.gz	YKPWXWMEESFCMT-OAQYLSRUSA-N	-1	3	375.497	5.524	50	10		GKCAHM
[O-]c1ccc2ccccc2c1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21	ZINC000072332606	570705492	/nfs/dbraw/zinc/70/54/92/570705492.db2.gz	TVRFJLHWUDGNFT-ATIYNZHBSA-N	-1	3	392.458	5.788	50	10		GKCAHM
[O-]c1c(CN2CCN(c3ccccc3Cl)CC2)cc(Cl)c2ccccc12	ZINC000013098110	570746511	/nfs/dbraw/zinc/74/65/11/570746511.db2.gz	IJZGTKQBLPZEIG-UHFFFAOYSA-N	-1	3	387.310	5.174	50	10		GKCAHM
O=C(NCc1ccccc1)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000032801850	570820661	/nfs/dbraw/zinc/82/06/61/570820661.db2.gz	PGZARYGTWBHQEF-DEOSSOPVSA-N	-1	3	382.463	5.134	50	10		GKCAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@H]2c1ccsc1	ZINC000102907290	570871033	/nfs/dbraw/zinc/87/10/33/570871033.db2.gz	NBYDNFZHSQTOBA-PXNSSMCTSA-N	-1	3	382.872	5.349	50	10		GKCAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@H]2c1cccs1	ZINC000102907286	570871040	/nfs/dbraw/zinc/87/10/40/570871040.db2.gz	HLSDCQMVEFGPRL-JXFKEZNVSA-N	-1	3	382.872	5.349	50	10		GKCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccsc1	ZINC000102907357	570871265	/nfs/dbraw/zinc/87/12/65/570871265.db2.gz	OBGGTHZXSLXUPC-YLJYHZDGSA-N	-1	3	382.872	5.349	50	10		GKCAHM
Cc1ccnc(N[C@@H](c2cccc(Cl)c2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000015016657	570871832	/nfs/dbraw/zinc/87/18/32/570871832.db2.gz	KJAOWXWSRYJKIM-NRFANRHFSA-N	-1	3	389.886	5.807	50	10		GKCAHM
CSc1ccc([C@@H]2N=C(c3ccc(C)cc3)C[C@H](c3ccccc3[O-])N2)cc1	ZINC000004730064	570884840	/nfs/dbraw/zinc/88/48/40/570884840.db2.gz	KQULRNPXZOHDRC-ISKFKSNPSA-N	-1	3	388.536	5.645	50	10		GKCAHM
[O-]c1ccc(Br)cc1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21	ZINC000012604461	570888284	/nfs/dbraw/zinc/88/82/84/570888284.db2.gz	IBEDDXLCXHGHPW-HXUWFJFHSA-N	-1	3	392.256	5.144	50	10		GKCAHM
CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(C)cc1	ZINC000103918685	570890266	/nfs/dbraw/zinc/89/02/66/570890266.db2.gz	KQCJHZQJMDBJIZ-HKWRFOASSA-N	-1	3	390.512	5.494	50	10		GKCAHM
CCCOc1ccc(N=Nc2ccccc2)c(NC([S-])=NC(=O)OCC)c1	ZINC000004046767	570924940	/nfs/dbraw/zinc/92/49/40/570924940.db2.gz	PYBHPHSYODLHAQ-GHVJWSGMSA-N	-1	3	386.477	5.334	50	10		GKCAHM
CCCOc1ccc(N=Nc2ccccc2)c(NC(=S)[N-]C(=O)OCC)c1	ZINC000004046767	570924941	/nfs/dbraw/zinc/92/49/41/570924941.db2.gz	PYBHPHSYODLHAQ-GHVJWSGMSA-N	-1	3	386.477	5.334	50	10		GKCAHM
O=C(Nc1ccccc1F)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000032933008	570946133	/nfs/dbraw/zinc/94/61/33/570946133.db2.gz	KEUFIOARTJXQGF-HSZRJFAPSA-N	-1	3	386.426	5.596	50	10		GKCAHM
[O-]c1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21	ZINC000106937276	570969447	/nfs/dbraw/zinc/96/94/47/570969447.db2.gz	XCTBHBDMOWXGHC-KNQAVFIVSA-N	-1	3	376.843	5.288	50	10		GKCAHM
[O-]c1ccc2ccccc2c1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21	ZINC000106937273	570969571	/nfs/dbraw/zinc/96/95/71/570969571.db2.gz	TVRFJLHWUDGNFT-NVQXNPDNSA-N	-1	3	392.458	5.788	50	10		GKCAHM
CCCOc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1	ZINC000002470397	209366508	/nfs/dbraw/zinc/36/65/08/209366508.db2.gz	IBYCAQPUJIALTP-QFIPXVFZSA-N	-1	3	385.467	5.326	50	10		GKCAHM
Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(C(C)(C)C)cc3)c([O-])c2n1	ZINC000002073867	209345256	/nfs/dbraw/zinc/34/52/56/209345256.db2.gz	IPDZJNIZUSHWQI-HSZRJFAPSA-N	-1	3	397.522	6.143	50	10		GKCAHM
CCOc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])cc1C	ZINC000002073835	209345320	/nfs/dbraw/zinc/34/53/20/209345320.db2.gz	WNNRRYFKFYPPNA-QHCPKHFHSA-N	-1	3	399.494	5.552	50	10		GKCAHM
O=c1c2ccc([O-])c(CN3CCCCCC3)c2occ1-c1ccc(Cl)cc1	ZINC000019789598	209235732	/nfs/dbraw/zinc/23/57/32/209235732.db2.gz	LUXRPLCOGZWQEC-UHFFFAOYSA-N	-1	3	383.875	5.195	50	10	biogenic	GKCAHM
Cc1cccc(OCC(=O)N[C@@H](c2ccccc2)c2c([O-])ccc3ccccc32)c1	ZINC000000943243	212196751	/nfs/dbraw/zinc/19/67/51/212196751.db2.gz	DJKUTRLDKFXAES-SANMLTNESA-N	-1	3	397.474	5.138	50	10		GKCAHM
CCOc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3cccnc3c2[O-])cc1	ZINC000005102202	204111348	/nfs/dbraw/zinc/11/13/48/204111348.db2.gz	KELBRRFGLICPTL-JOCHJYFZSA-N	-1	3	385.467	5.244	50	10		GKCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccsc1	ZINC000006721651	204194462	/nfs/dbraw/zinc/19/44/62/204194462.db2.gz	OBGGTHZXSLXUPC-PXNSSMCTSA-N	-1	3	382.872	5.349	50	10		GKCAHM
COc1ccc(C2=N[C@H](c3cccs3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000058083251	205164113	/nfs/dbraw/zinc/16/41/13/205164113.db2.gz	BYJVPEWHDVVZKG-RXVVDRJESA-N	-1	3	398.915	5.338	50	10		GKCAHM
[O-]c1c([C@@H](Nc2cccc(C(F)(F)F)c2)c2ccncc2)ccc2cccnc21	ZINC000000948867	206337051	/nfs/dbraw/zinc/33/70/51/206337051.db2.gz	UCIDUOPFFXWXFB-IBGZPJMESA-N	-1	3	395.384	5.556	50	10		GKCAHM
CCOc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000010215912	206374126	/nfs/dbraw/zinc/37/41/26/206374126.db2.gz	WONRCFAFRBIBSK-GCJKJVERSA-N	-1	3	392.480	5.095	50	10		GKCAHM
Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(Cl)cc3)c([O-])c2n1	ZINC000001168960	206363181	/nfs/dbraw/zinc/36/31/81/206363181.db2.gz	PCBHRAHEKOFWDT-HXUWFJFHSA-N	-1	3	375.859	5.499	50	10		GKCAHM
O=C(N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1ccc(Cl)cc1	ZINC000001782190	206391532	/nfs/dbraw/zinc/39/15/32/206391532.db2.gz	QNBCEZYIHVVQIB-QHCPKHFHSA-N	-1	3	387.866	5.718	50	10		GKCAHM
CCCCN(C)Cc1c([O-])ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc21	ZINC000019791711	207160310	/nfs/dbraw/zinc/16/03/10/207160310.db2.gz	HQNVHYZMZAWPNS-UHFFFAOYSA-N	-1	3	381.472	5.140	50	10	biogenic	GKCAHM
Cc1ccc(C2=N[C@@H](c3c(F)cccc3Cl)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000020765177	210361362	/nfs/dbraw/zinc/36/13/62/210361362.db2.gz	BFGIXDHPYXCMMC-NZQKXSOJSA-N	-1	3	394.877	5.716	50	10		GKCAHM
Cc1ccnc(N[C@H](c2ccc(N(C)C)cc2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000015016648	221327007	/nfs/dbraw/zinc/32/70/07/221327007.db2.gz	QYAJBOGTVUKEEW-HSZRJFAPSA-N	-1	3	398.510	5.220	50	10		GKCAHM
CCOc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000053363148	222009095	/nfs/dbraw/zinc/00/90/95/222009095.db2.gz	LWXGOLUQSGJFCN-VWNXMTODSA-N	-1	3	390.458	5.153	50	10		GKCAHM
COc1ccc(C2=N[C@H](c3ccsc3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000058083434	222039683	/nfs/dbraw/zinc/03/96/83/222039683.db2.gz	KFZQLGRTBCKKQH-FPOVZHCZSA-N	-1	3	398.915	5.338	50	10		GKCAHM
Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccccc3Cl)c([O-])c2n1	ZINC000001159789	570251356	/nfs/dbraw/zinc/25/13/56/570251356.db2.gz	PEXQTMGRJKPKCN-OAQYLSRUSA-N	-1	3	375.859	5.499	50	10		GKCAHM
[O-]c1c([C@@H](Nc2ccc(OC(F)F)cc2)c2ccccn2)ccc2cccnc21	ZINC000001463277	570263777	/nfs/dbraw/zinc/26/37/77/570263777.db2.gz	NRORDDSTOHHTCI-HXUWFJFHSA-N	-1	3	393.393	5.138	50	10		GKCAHM
CCOc1ccc(C2=N[C@H](c3ccc(C)cc3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000053363076	570312433	/nfs/dbraw/zinc/31/24/33/570312433.db2.gz	XCNDWTFGVVDEOV-ZCYQVOJMSA-N	-1	3	386.495	5.322	50	10		GKCAHM
COc1ccc([C@H]2N=C(c3ccc(Cl)cc3)C[C@@H](c3ccccc3[O-])N2)cc1	ZINC000053363467	570312726	/nfs/dbraw/zinc/31/27/26/570312726.db2.gz	YTMUYFSGXJPTPW-GMAHTHKFSA-N	-1	3	392.886	5.277	50	10		GKCAHM
Cc1ccc([C@H](NC(=O)Cc2ccccc2)c2c([O-])ccc3ccccc32)cc1	ZINC000002870021	570313505	/nfs/dbraw/zinc/31/35/05/570313505.db2.gz	XMPAUTHIHVYEGJ-SANMLTNESA-N	-1	3	381.475	5.302	50	10		GKCAHM
Cc1ccnc(N[C@H](c2ccc3ccccc3c2)c2ccc3cccnc3c2[O-])c1	ZINC000002874079	570314088	/nfs/dbraw/zinc/31/40/88/570314088.db2.gz	ACOPCCNQZUNLPD-XMMPIXPASA-N	-1	3	391.474	5.999	50	10		GKCAHM
[O-]c1c([C@H](Nc2ccccn2)c2c(Cl)cccc2Cl)ccc2cccnc21	ZINC000002977879	570321452	/nfs/dbraw/zinc/32/14/52/570321452.db2.gz	WOPDKGYYANFDPZ-FQEVSTJZSA-N	-1	3	396.277	5.844	50	10		GKCAHM
COc1ccc(C(=O)N[C@@H](c2ccc(C)cc2)c2c([O-])ccc3ccccc32)cc1	ZINC000002979679	570321909	/nfs/dbraw/zinc/32/19/09/570321909.db2.gz	XYQIXHRCYDKCAK-VWLOTQADSA-N	-1	3	397.474	5.382	50	10		GKCAHM
COc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2[O-])cc1C	ZINC000004631186	570389045	/nfs/dbraw/zinc/38/90/45/570389045.db2.gz	DKQBPEMVMILWCL-HSZRJFAPSA-N	-1	3	399.494	5.471	50	10		GKCAHM
[O-]c1c([C@@H](Nc2ccccc2C(F)(F)F)c2ccccn2)ccc2cccnc21	ZINC000005009302	570394851	/nfs/dbraw/zinc/39/48/51/570394851.db2.gz	CMGMGBJEHCIMTC-HXUWFJFHSA-N	-1	3	395.384	5.556	50	10		GKCAHM
COc1ccc(C)cc1N[C@H](c1ccc(F)cc1)c1ccc2cccnc2c1[O-]	ZINC000005009308	570394866	/nfs/dbraw/zinc/39/48/66/570394866.db2.gz	YOYNEULMQQSMAC-JOCHJYFZSA-N	-1	3	388.442	5.598	50	10		GKCAHM
Cc1ccsc1[C@@H](Nc1cccc(C)n1)c1ccc2ccc(C)nc2c1[O-]	ZINC000005740674	570454644	/nfs/dbraw/zinc/45/46/44/570454644.db2.gz	DDEXKWRWFNUKNE-FQEVSTJZSA-N	-1	3	375.497	5.524	50	10		GKCAHM
COc1ccc([C@@H](NC(=O)c2ccccc2)c2c([O-])ccc3ccccc32)cc1	ZINC000000855830	570533753	/nfs/dbraw/zinc/53/37/53/570533753.db2.gz	LYQSBPSHBBYBID-XMMPIXPASA-N	-1	3	383.447	5.073	50	10		GKCAHM
COc1ccccc1[C@H](NC(=O)c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000000970917	570740908	/nfs/dbraw/zinc/74/09/08/570740908.db2.gz	MEYHCCPLCPAXBX-DEOSSOPVSA-N	-1	3	383.447	5.073	50	10		GKCAHM
Cc1ccc2ccc([C@@H](Nc3cccc(Cl)c3)c3ccccn3)c([O-])c2n1	ZINC000001016382	570746044	/nfs/dbraw/zinc/74/60/44/570746044.db2.gz	LRORHYYIGOEORJ-OAQYLSRUSA-N	-1	3	375.859	5.499	50	10		GKCAHM
Cc1ccc(NC(=O)N[C@H](c2ccccc2)c2c([O-])ccc3ccccc32)cc1	ZINC000014075016	570818657	/nfs/dbraw/zinc/81/86/57/570818657.db2.gz	HXBBHSHEXRMPQF-XMMPIXPASA-N	-1	3	382.463	5.765	50	10		GKCAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@H]2c1ccsc1	ZINC000102907292	570870859	/nfs/dbraw/zinc/87/08/59/570870859.db2.gz	NBYDNFZHSQTOBA-XLIONFOSSA-N	-1	3	382.872	5.349	50	10		GKCAHM
Cc1ccc(C2=N[C@H](c3cccc(Cl)c3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000004730073	570884472	/nfs/dbraw/zinc/88/44/72/570884472.db2.gz	NNYZZKFBMMEYRT-GGAORHGYSA-N	-1	3	376.887	5.577	50	10		GKCAHM
CCCCCC[C@]1(C)N=C(c2ccc3c(c2)OCO3)C[C@@H](c2ccccc2[O-])N1	ZINC000004729867	570884716	/nfs/dbraw/zinc/88/47/16/570884716.db2.gz	POIOLPVZKOAMKS-GBXCKJPGSA-N	-1	3	394.515	5.331	50	10		GKCAHM
CN(c1ccc(C(C)(C)C)cc1)c1ccc2c(c1[O-])C(=O)c1ccccc1C2=O	ZINC000004786013	570989914	/nfs/dbraw/zinc/98/99/14/570989914.db2.gz	KQDAQCFIUSZOHU-UHFFFAOYSA-N	-1	3	385.463	5.233	50	10		GKCAHM
CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@H](c1c([O-])ccc3ccccc31)N2	ZINC000002185917	570994129	/nfs/dbraw/zinc/99/41/29/570994129.db2.gz	RFLGCBBDVBVELM-QHCPKHFHSA-N	-1	3	375.512	6.644	50	10		GKCAHM
[O-]c1ccccc1CN1CCCn2cccc2[C@H]1c1cccc(C(F)(F)F)c1	ZINC000037523142	571024409	/nfs/dbraw/zinc/02/44/09/571024409.db2.gz	KEFOMMJEVYBVDI-OAQYLSRUSA-N	-1	3	386.417	5.208	50	10		GKCAHM