smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	ZINC000104204001	569842995	/nfs/dbraw/zinc/84/29/95/569842995.db2.gz	QTEULSNJILANLC-LYEHZDMLSA-N	-1	2	463.479	2.788	40	10		JFCBLM
Cc1[n-]n(C(=O)c2cccnc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	ZINC000104214160	569843205	/nfs/dbraw/zinc/84/32/05/569843205.db2.gz	VGMJLSSBYDZHOD-WWDJGNSZSA-N	-1	2	463.479	2.788	40	10		JFCBLM
COc1cc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(C(=O)[O-])c3)C2=O)c(OC)cc1Cl	ZINC000408774979	570039948	/nfs/dbraw/zinc/03/99/48/570039948.db2.gz	ZIADPOKYBNVUNR-KPKJPENVSA-N	-1	2	460.826	2.730	40	10		JFCBLM
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1O	ZINC000408945592	570083432	/nfs/dbraw/zinc/08/34/32/570083432.db2.gz	WXHDYBJZHTWYOA-NTUHNPAUSA-N	-1	2	475.251	2.918	40	10		JFCBLM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OC)c3O[C@H](C)C(=O)[O-])C2=O)cc1	ZINC000409230275	570177584	/nfs/dbraw/zinc/17/75/84/570177584.db2.gz	XYZGMALPVOURTO-LVLBFHFTSA-N	-1	2	454.435	2.612	40	10		JFCBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409238243	570180788	/nfs/dbraw/zinc/18/07/88/570180788.db2.gz	CYRVQKRPWNMROB-ZRRZQRFHSA-N	-1	2	489.278	2.976	40	10		JFCBLM
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	ZINC000104204003	569843044	/nfs/dbraw/zinc/84/30/44/569843044.db2.gz	QTEULSNJILANLC-ZFZZVZNFSA-N	-1	2	463.479	2.788	40	10		JFCBLM
Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(I)c([O-])c([N+](=O)[O-])c3)C2=O)c1	ZINC000408739517	570031487	/nfs/dbraw/zinc/03/14/87/570031487.db2.gz	CKKVAJROZSIPDJ-WUXMJOGZSA-N	-1	2	493.213	2.880	40	10		JFCBLM
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(I)c([O-])c([N+](=O)[O-])c1	ZINC000408852524	570055857	/nfs/dbraw/zinc/05/58/57/570055857.db2.gz	GZNZDSHVAWNFLR-VZUCSPMQSA-N	-1	2	497.176	2.711	40	10		JFCBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409010280	570099346	/nfs/dbraw/zinc/09/93/46/570099346.db2.gz	BPNTXDUJKILKGN-ZRRZQRFHSA-N	-1	2	489.278	2.976	40	10		JFCBLM
C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Br)c2)C1=O)C(=O)[O-]	ZINC000409190029	570161644	/nfs/dbraw/zinc/16/16/44/570161644.db2.gz	UWFKXLHXHOWVJF-BTAWCLGRSA-N	-1	2	459.252	2.967	40	10		JFCBLM
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000104204049	569842983	/nfs/dbraw/zinc/84/29/83/569842983.db2.gz	MMKWYDMAFMAUDD-GBWQBGJGSA-N	-1	2	469.508	2.850	40	10		JFCBLM
Cc1[n-]n(C(=O)c2cccnc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	ZINC000104214167	569843189	/nfs/dbraw/zinc/84/31/89/569843189.db2.gz	VGMJLSSBYDZHOD-ZFZZVZNFSA-N	-1	2	463.479	2.788	40	10		JFCBLM
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000408901978	570068879	/nfs/dbraw/zinc/06/88/79/570068879.db2.gz	DFDVMRJLNDOZKZ-WUXMJOGZSA-N	-1	2	450.176	2.868	40	10		JFCBLM
COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)C2=O)cc1	ZINC000409069180	570117611	/nfs/dbraw/zinc/11/76/11/570117611.db2.gz	CGYIRHIAYYRPCM-AWNIVKPZSA-N	-1	2	493.255	2.910	40	10		JFCBLM
C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)C(=O)[O-]	ZINC000409188670	570161275	/nfs/dbraw/zinc/16/12/75/570161275.db2.gz	JKHDOAASZGACCI-KBVGCWLLSA-N	-1	2	459.252	2.967	40	10		JFCBLM
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000104204042	569843007	/nfs/dbraw/zinc/84/30/07/569843007.db2.gz	MMKWYDMAFMAUDD-KJXVGZKYSA-N	-1	2	469.508	2.850	40	10		JFCBLM
Cc1[n-]n(C(=O)c2cccnc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	ZINC000104214156	569843285	/nfs/dbraw/zinc/84/32/85/569843285.db2.gz	VGMJLSSBYDZHOD-KRXRYSOXSA-N	-1	2	463.479	2.788	40	10		JFCBLM
CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(C(=O)[O-])ccc3OCC)C2=O)cc1	ZINC000408837097	570053244	/nfs/dbraw/zinc/05/32/44/570053244.db2.gz	YUUQJNQQNRJHPB-SFQUDFHCSA-N	-1	2	452.419	2.627	40	10		JFCBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1O	ZINC000408940162	570082472	/nfs/dbraw/zinc/08/24/72/570082472.db2.gz	NPZVJNIZWVNINA-WUXMJOGZSA-N	-1	2	461.224	2.528	40	10		JFCBLM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCC(=O)[O-])C2=O)cc1	ZINC000409044437	570108266	/nfs/dbraw/zinc/10/82/66/570108266.db2.gz	CVKOHKWSGMLWPJ-MHWRWJLKSA-N	-1	2	489.278	2.978	40	10		JFCBLM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(OC)c3)C2=O)cc1	ZINC000409044213	570108292	/nfs/dbraw/zinc/10/82/92/570108292.db2.gz	UJAVMCNNRLALBV-OVCLIPMQSA-N	-1	2	474.853	2.877	40	10		JFCBLM
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409044987	570108409	/nfs/dbraw/zinc/10/84/09/570108409.db2.gz	WXTJHHQJFYCZRL-MKMNVTDBSA-N	-1	2	489.824	2.777	40	10		JFCBLM
C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)C(=O)[O-]	ZINC000409188669	570161272	/nfs/dbraw/zinc/16/12/72/570161272.db2.gz	JKHDOAASZGACCI-HGLKBHAMSA-N	-1	2	459.252	2.967	40	10		JFCBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409238240	570180721	/nfs/dbraw/zinc/18/07/21/570180721.db2.gz	CYRVQKRPWNMROB-BTAWCLGRSA-N	-1	2	489.278	2.976	40	10		JFCBLM
COc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3cccc(C(=O)[O-])c3)C2=O)c(OC)c1	ZINC000009260250	555034489	/nfs/dbraw/zinc/03/44/89/555034489.db2.gz	PYDKXYSSXWIWNT-PDGQHHTCSA-N	-1	2	461.430	2.859	40	10		JFCBLM
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	ZINC000104203995	569843011	/nfs/dbraw/zinc/84/30/11/569843011.db2.gz	QTEULSNJILANLC-KRXRYSOXSA-N	-1	2	463.479	2.788	40	10		JFCBLM
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c([O-])c([N+](=O)[O-])c1	ZINC000408850932	570055524	/nfs/dbraw/zinc/05/55/24/570055524.db2.gz	GOYKQTWLIJOKGH-VZUCSPMQSA-N	-1	2	450.176	2.868	40	10		JFCBLM
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409053880	570110875	/nfs/dbraw/zinc/11/08/75/570110875.db2.gz	DELLFWPLDVWXIB-VGOFMYFVSA-N	-1	2	489.824	2.777	40	10		JFCBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409238752	570181025	/nfs/dbraw/zinc/18/10/25/570181025.db2.gz	NRSPCXKLDQBWAZ-KBVGCWLLSA-N	-1	2	489.278	2.976	40	10		JFCBLM
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cccc(OC)c3O[C@@H](C)C(=O)[O-])C2=O)c1	ZINC000409239174	570181174	/nfs/dbraw/zinc/18/11/74/570181174.db2.gz	ORHVAGQBNCBTPQ-HNEYUBDGSA-N	-1	2	454.435	2.612	40	10		JFCBLM
COc1ccc(N2C(=O)NC(=O)C(=Cc3cn([C@@H](C)C(=O)[O-])c4ccccc34)C2=O)c(OC)c1	ZINC000009260136	555034412	/nfs/dbraw/zinc/03/44/12/555034412.db2.gz	SPTGRJDGBDGQFA-NWRYFCBHSA-N	-1	2	463.446	2.971	40	10		JFCBLM
C[C@@H](Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000033914267	569637488	/nfs/dbraw/zinc/63/74/88/569637488.db2.gz	UIZSMYRGFGFEOY-QVASGMJFSA-N	-1	2	476.239	2.671	40	10		JFCBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408776890	570040418	/nfs/dbraw/zinc/04/04/18/570040418.db2.gz	SCBDUWPZVKRNHS-VGOFMYFVSA-N	-1	2	489.278	2.896	40	10		JFCBLM
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000104204053	569842991	/nfs/dbraw/zinc/84/29/91/569842991.db2.gz	MMKWYDMAFMAUDD-LSJZCYCUSA-N	-1	2	469.508	2.850	40	10		JFCBLM
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])c(OC)c3)C2=O)c1	ZINC000409014391	570100580	/nfs/dbraw/zinc/10/05/80/570100580.db2.gz	PJTKXYXEVGKTSD-VGSSETLESA-N	-1	2	454.435	2.612	40	10		JFCBLM
Cc1cc(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])C2=O)ccc1Br	ZINC000408758928	570036317	/nfs/dbraw/zinc/03/63/17/570036317.db2.gz	UYKODXOUVQEBFZ-WUXMJOGZSA-N	-1	2	491.210	2.946	40	10		JFCBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])cc(I)c3[O-])C2=O)cc1	ZINC000408897925	570067518	/nfs/dbraw/zinc/06/75/18/570067518.db2.gz	JOZVWSVWQRDAMR-NTUHNPAUSA-N	-1	2	493.213	2.880	40	10		JFCBLM
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc(I)c1[O-]	ZINC000408901720	570068858	/nfs/dbraw/zinc/06/88/58/570068858.db2.gz	AXEIASGKPMIPMW-WUXMJOGZSA-N	-1	2	497.176	2.711	40	10		JFCBLM
O=C([O-])COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Br	ZINC000408912515	570073498	/nfs/dbraw/zinc/07/34/98/570073498.db2.gz	HWWMAXPEBPVNFJ-AWNIVKPZSA-N	-1	2	463.215	2.718	40	10		JFCBLM
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000408947583	570083768	/nfs/dbraw/zinc/08/37/68/570083768.db2.gz	COHRWHWZNMXWCP-WLRTZDKTSA-N	-1	2	488.836	2.597	40	10		JFCBLM
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409046453	570108857	/nfs/dbraw/zinc/10/88/57/570108857.db2.gz	KTFARARSASENCY-VGOFMYFVSA-N	-1	2	460.826	2.574	40	10		JFCBLM
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(I)c([O-])c([N+](=O)[O-])c1	ZINC000408743026	570032799	/nfs/dbraw/zinc/03/27/99/570032799.db2.gz	YQQRHJLVTVLWGQ-IZZDOVSWSA-N	-1	2	479.186	2.571	40	10		JFCBLM
C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Br)c2)C1=O)C(=O)[O-]	ZINC000409190030	570161624	/nfs/dbraw/zinc/16/16/24/570161624.db2.gz	UWFKXLHXHOWVJF-ZRRZQRFHSA-N	-1	2	459.252	2.967	40	10		JFCBLM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OC)c3O[C@@H](C)C(=O)[O-])C2=O)cc1	ZINC000409230277	570177559	/nfs/dbraw/zinc/17/75/59/570177559.db2.gz	XYZGMALPVOURTO-VLURKWGBSA-N	-1	2	454.435	2.612	40	10		JFCBLM
C[C@H](Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000033914265	569637478	/nfs/dbraw/zinc/63/74/78/569637478.db2.gz	UIZSMYRGFGFEOY-BNDQCTAISA-N	-1	2	476.239	2.671	40	10		JFCBLM
CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(C(=O)[O-])c3)C2=O)cc1OC	ZINC000409210981	570169728	/nfs/dbraw/zinc/16/97/28/570169728.db2.gz	MLLRVYYSQUVJQG-LFIBNONCSA-N	-1	2	454.435	2.857	40	10		JFCBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409238747	570180863	/nfs/dbraw/zinc/18/08/63/570180863.db2.gz	NRSPCXKLDQBWAZ-HGLKBHAMSA-N	-1	2	489.278	2.976	40	10		JFCBLM
COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c([O-])c([N+](=O)[O-])c3)C2=O)cc1	ZINC000002308779	554142917	/nfs/dbraw/zinc/14/29/17/554142917.db2.gz	CVZGAXVWPMDOKG-WUXMJOGZSA-N	-1	2	462.212	2.738	40	10		JFCBLM
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	ZINC000104203998	569842956	/nfs/dbraw/zinc/84/29/56/569842956.db2.gz	QTEULSNJILANLC-WWDJGNSZSA-N	-1	2	463.479	2.788	40	10		JFCBLM
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000104204047	569843000	/nfs/dbraw/zinc/84/30/00/569843000.db2.gz	MMKWYDMAFMAUDD-PXFSWQRTSA-N	-1	2	469.508	2.850	40	10		JFCBLM
Cc1[n-]n(C(=O)c2cccnc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	ZINC000104214164	569843231	/nfs/dbraw/zinc/84/32/31/569843231.db2.gz	VGMJLSSBYDZHOD-LYEHZDMLSA-N	-1	2	463.479	2.788	40	10		JFCBLM
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])c(OC)c3)C2=O)c1	ZINC000409014392	570100619	/nfs/dbraw/zinc/10/06/19/570100619.db2.gz	PJTKXYXEVGKTSD-VZWMTCDZSA-N	-1	2	454.435	2.612	40	10		JFCBLM
C[C@@H](Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000035404776	569691742	/nfs/dbraw/zinc/69/17/42/569691742.db2.gz	JGTRCIOOCILPJZ-DOQDJBIESA-N	-1	2	476.239	2.671	40	10		JFCBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409008768	570098864	/nfs/dbraw/zinc/09/88/64/570098864.db2.gz	GOAGAHAULDUROI-UXYFDLPDSA-N	-1	2	489.278	2.976	40	10		JFCBLM
COc1ccc(N2C(=O)NC(=O)C(=Cc3cn([C@H](C)C(=O)[O-])c4ccccc34)C2=O)c(OC)c1	ZINC000009260139	555034340	/nfs/dbraw/zinc/03/43/40/555034340.db2.gz	SPTGRJDGBDGQFA-OMJMQIJPSA-N	-1	2	463.446	2.971	40	10		JFCBLM
C[C@H](Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000035404771	569691735	/nfs/dbraw/zinc/69/17/35/569691735.db2.gz	JGTRCIOOCILPJZ-WULZRQGASA-N	-1	2	476.239	2.671	40	10		JFCBLM
O=C([O-])COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O	ZINC000408911000	570072549	/nfs/dbraw/zinc/07/25/49/570072549.db2.gz	MMCGRJXZNAKJNM-VGOFMYFVSA-N	-1	2	463.215	2.718	40	10		JFCBLM
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cccc(OC)c3O[C@H](C)C(=O)[O-])C2=O)c1	ZINC000409239176	570181150	/nfs/dbraw/zinc/18/11/50/570181150.db2.gz	ORHVAGQBNCBTPQ-VVBXCHJUSA-N	-1	2	454.435	2.612	40	10		JFCBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409008767	570098852	/nfs/dbraw/zinc/09/88/52/570098852.db2.gz	GOAGAHAULDUROI-OXFWXOROSA-N	-1	2	489.278	2.976	40	10		JFCBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409010279	570099340	/nfs/dbraw/zinc/09/93/40/570099340.db2.gz	BPNTXDUJKILKGN-BTAWCLGRSA-N	-1	2	489.278	2.976	40	10		JFCBLM
O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl	ZINC000409075973	570119982	/nfs/dbraw/zinc/11/99/82/570119982.db2.gz	ZRSAVBQRXXMLPE-LFYBBSHMSA-N	-1	2	451.218	2.829	40	10		JFCBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCC(=O)[O-])C2=O)cc1	ZINC000006798412	554557982	/nfs/dbraw/zinc/55/79/82/554557982.db2.gz	PAKBMMARPIWPLP-DHDCSXOGSA-N	-1	2	459.252	2.887	40	10		JFCBLM
Cc1cc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)[O-])C2=O)ccc1Br	ZINC000408762923	570037281	/nfs/dbraw/zinc/03/72/81/570037281.db2.gz	NBRVGTYQQSBJSD-NTEUORMPSA-N	-1	2	459.252	2.887	40	10		JFCBLM
COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(-n4nc(C)cc4C)c(C(=O)[O-])c3)C2=O)cc1	ZINC000408535646	570190094	/nfs/dbraw/zinc/19/00/94/570190094.db2.gz	ZHSUYXLYCMFQAR-UNOMPAQXSA-N	-1	2	475.461	2.775	40	10		JFCBLM