smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S(=O)(=O)C2(C(=O)NO)CC[NH+](Cc3ccc(OCC[NH+]4CCCCC4)cc3)CC2)cc1	ZINC000003820512	561683347	/nfs/dbraw/zinc/68/33/47/561683347.db2.gz	PRBMKJZQAUSBQV-UHFFFAOYSA-N	2	2	531.675	2.874	1	30		KFEFLP
NC(=[NH2+])CCCCNC(=O)/C(Cc1cc(Br)c(OCCC[NH3+])c(Br)c1)=N/O	ZINC000013476560	561714715	/nfs/dbraw/zinc/71/47/15/561714715.db2.gz	OLZLVPJFSUGYSZ-ZVHZXABRSA-N	2	2	507.227	2.534	1	30		KFEFLP
C[NH+]1CCN(C(=O)CCCCC2=C(CCCCC(=O)N3CC[NH+](C)CC3)C(=O)c3c(O)cccc3C2=O)CC1	ZINC000013861893	561734774	/nfs/dbraw/zinc/73/47/74/561734774.db2.gz	YASVNLMLQYFCTQ-UHFFFAOYSA-N	2	2	538.689	2.737	1	30		KFEFLP
C#CCN(Cc1cc2c(cc1Cl)nc(CN1CC[NH+](C)CC1)n(C)c2=O)c1ccc(C(=O)NCCCn2cc[nH+]c2)cc1	ZINC000022040204	561759003	/nfs/dbraw/zinc/75/90/03/561759003.db2.gz	NZGBUYJLINOODR-UHFFFAOYSA-N	2	2	601.155	2.991	1	30		KFEFLP
N#Cc1ccc(Cn2c[nH+]cc2CN(CCN2CC[NH2+]CC2)[C@H]2CCN(Cc3cccc(Cl)c3)C2=O)cc1	ZINC000022941873	561761270	/nfs/dbraw/zinc/76/12/70/561761270.db2.gz	OAOZPXOXMVMQBZ-NDEPHWFRSA-N	2	2	532.092	2.965	1	30		KFEFLP
COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@H](Oc2ccc(C(F)(F)F)cc2)C[N@H+]1C/C=C/[C@@H]([NH3+])CS	ZINC000026188008	561772956	/nfs/dbraw/zinc/77/29/56/561772956.db2.gz	XIXIMCSQSWKBPM-NSZAIORKSA-N	2	2	535.654	2.751	1	30		KFEFLP
COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@H](Oc2ccc(C(F)(F)F)cc2)C[N@@H+]1C/C=C/[C@@H]([NH3+])CS	ZINC000026188008	561772955	/nfs/dbraw/zinc/77/29/55/561772955.db2.gz	XIXIMCSQSWKBPM-NSZAIORKSA-N	2	2	535.654	2.751	1	30		KFEFLP
COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@H](Oc2cccc3c2CCCC3)C[N@H+]1C/C=C/[C@H]([NH3+])CS	ZINC000026247967	561773639	/nfs/dbraw/zinc/77/36/39/561773639.db2.gz	USRNYXGTWZNTLS-ZNGMXRBJSA-N	2	2	521.749	2.611	1	30		KFEFLP
COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@H](Oc2cccc3c2CCCC3)C[N@@H+]1C/C=C/[C@H]([NH3+])CS	ZINC000026247967	561773638	/nfs/dbraw/zinc/77/36/38/561773638.db2.gz	USRNYXGTWZNTLS-ZNGMXRBJSA-N	2	2	521.749	2.611	1	30		KFEFLP
COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@H](Oc2ccc(C(C)C)cc2)C[N@H+]1C/C=C/[C@@H]([NH3+])CS	ZINC000026256384	561774804	/nfs/dbraw/zinc/77/48/04/561774804.db2.gz	ZLLPOKFAKTZJMK-UNENZPLHSA-N	2	2	509.738	2.856	1	30		KFEFLP
COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@H](Oc2ccc(C(C)C)cc2)C[N@@H+]1C/C=C/[C@@H]([NH3+])CS	ZINC000026256384	561774803	/nfs/dbraw/zinc/77/48/03/561774803.db2.gz	ZLLPOKFAKTZJMK-UNENZPLHSA-N	2	2	509.738	2.856	1	30		KFEFLP
COc1cc(O)c(/C=N/CCC[NH2+]CC[NH2+]CCC/N=C/c2c(O)cc(OC)cc2OC)c(OC)c1	ZINC000027439361	561860606	/nfs/dbraw/zinc/86/06/06/561860606.db2.gz	RYXMZWFBXXIEPR-YAGSLNJISA-N	2	2	502.612	2.630	1	30		KFEFLP
CC[C@@H](C)[C@H]([NH2+]C[C@@H]([NH3+])CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)OCc1ccccc1	ZINC000027855552	561886516	/nfs/dbraw/zinc/88/65/16/561886516.db2.gz	NAIZAXSGXCGQDD-XROHALNKSA-N	2	2	588.840	2.957	1	30		KFEFLP
CC[C@H](C)[C@H]([NH2+]C[C@@H]([NH3+])CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)OCc1ccccc1	ZINC000027855561	561886497	/nfs/dbraw/zinc/88/64/97/561886497.db2.gz	NAIZAXSGXCGQDD-KOMOQGMXSA-N	2	2	588.840	2.957	1	30		KFEFLP
CC[C@@H](C)[C@H]([NH2+]C[C@H]([NH3+])CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)OCc1ccccc1	ZINC000027855576	561886488	/nfs/dbraw/zinc/88/64/88/561886488.db2.gz	NAIZAXSGXCGQDD-FFXRMZKPSA-N	2	2	588.840	2.957	1	30		KFEFLP
CC[C@H](C)[C@H]([NH2+]C[C@H]([NH3+])CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)OCc1ccccc1	ZINC000027855582	561886512	/nfs/dbraw/zinc/88/65/12/561886512.db2.gz	NAIZAXSGXCGQDD-SJSXQSQASA-N	2	2	588.840	2.957	1	30		KFEFLP
O=C(CCCCC(=O)NCCC[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH2+]Cc1ccccc1-c1ccccc1)NO	ZINC000028526577	561932201	/nfs/dbraw/zinc/93/22/01/561932201.db2.gz	CKDFSIGYMNGEGJ-UHFFFAOYSA-N	4	2	554.780	2.954	1	30		KFEFLP
C=CCNC(=O)C1(N(CCC[NH+]2CCOCC2)C(=O)c2cccnc2)CC[NH+](Cc2ccccc2)CC1	ZINC000028953325	561982331	/nfs/dbraw/zinc/98/23/31/561982331.db2.gz	HEXYXJASNXEBAG-UHFFFAOYSA-N	2	2	505.663	2.583	1	30		KFEFLP
O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=[NH+]\OCCN1CC[NH+](CCO)CC1	ZINC000040430427	562076866	/nfs/dbraw/zinc/07/68/66/562076866.db2.gz	RPWRQYOHVXHGBO-YRZTTZRYSA-N	2	2	512.408	2.569	1	30		KFEFLP
O=C(C[NH+]1CCC[C@H](CO)C1)Nc1nc2cc3nc(NC(=O)C[N@@H+]4CCC[C@H](CO)C4)sc3cc2s1	ZINC000043362037	562648046	/nfs/dbraw/zinc/64/80/46/562648046.db2.gz	CJEDIZORBAQGRO-HOTGVXAUSA-N	2	2	532.692	2.841	1	30		KFEFLP
O=C(C[NH+]1CCC[C@H](CO)C1)Nc1nc2cc3nc(NC(=O)C[N@H+]4CCC[C@H](CO)C4)sc3cc2s1	ZINC000043362037	562648045	/nfs/dbraw/zinc/64/80/45/562648045.db2.gz	CJEDIZORBAQGRO-HOTGVXAUSA-N	2	2	532.692	2.841	1	30		KFEFLP
C[C@H](C[C@@H]1CC[C@H]([C@@H](C)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)O1)n1cc(C#CC[NH+]2CCN(c3ccccc3)CC2)nn1	ZINC000044351906	562654887	/nfs/dbraw/zinc/65/48/87/562654887.db2.gz	XWZCSKAGJLFISY-RVUODFHMSA-N	2	2	603.812	2.910	1	30		KFEFLP
C[C@H](C[C@@H]1CC[C@H]([C@@H](C)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)O1)n1cc(C#CC[NH+]2CCN(c3ccccc3)CC2)nn1	ZINC000044351909	562654894	/nfs/dbraw/zinc/65/48/94/562654894.db2.gz	XWZCSKAGJLFISY-OOWQGDDCSA-N	2	2	603.812	2.910	1	30		KFEFLP
Cn1cc(/C=C2\Oc3cccc(O)c3C2=O)c2c1[nH+]ccc2N1CCC(C(=O)N2CC[NH+](C)CC2)CC1	ZINC000049112117	562664557	/nfs/dbraw/zinc/66/45/57/562664557.db2.gz	OZSMHSFVPXRVBD-KQWNVCNZSA-N	2	2	501.587	2.886	1	30		KFEFLP
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@H](CC[NH+]2CC(O)C2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C	ZINC000049599989	562665013	/nfs/dbraw/zinc/66/50/13/562665013.db2.gz	PLTSBEYMHCROKV-JJHAZLPYSA-N	2	2	622.844	2.937	1	30		KFEFLP
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCNC(N)=[NH2+]	ZINC000049778314	562681212	/nfs/dbraw/zinc/68/12/12/562681212.db2.gz	NSMUITYTUDRYSP-ISSPZXTRSA-N	2	2	652.800	2.578	1	30		KFEFLP
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCNC(N)=[NH2+]	ZINC000049778314	562681211	/nfs/dbraw/zinc/68/12/11/562681211.db2.gz	NSMUITYTUDRYSP-ISSPZXTRSA-N	2	2	652.800	2.578	1	30		KFEFLP
O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=[NH+]\OCCN1CC[NH+](CCOCCO)CC1	ZINC000049881451	562690835	/nfs/dbraw/zinc/69/08/35/562690835.db2.gz	WFQCEVIDLOLEDG-UOLJZGQOSA-N	2	2	556.461	2.585	1	30		KFEFLP
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCNC(N)=[NH2+]	ZINC000049938376	562695195	/nfs/dbraw/zinc/69/51/95/562695195.db2.gz	NSMUITYTUDRYSP-NXVJRICRSA-N	2	2	652.800	2.578	1	30		KFEFLP
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCNC(N)=[NH2+]	ZINC000049938376	562695194	/nfs/dbraw/zinc/69/51/94/562695194.db2.gz	NSMUITYTUDRYSP-NXVJRICRSA-N	2	2	652.800	2.578	1	30		KFEFLP
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCNC(N)=[NH2+]	ZINC000049942241	562695386	/nfs/dbraw/zinc/69/53/86/562695386.db2.gz	NSMUITYTUDRYSP-JDIHBLRXSA-N	2	2	652.800	2.578	1	30		KFEFLP
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCNC(N)=[NH2+]	ZINC000049942241	562695385	/nfs/dbraw/zinc/69/53/85/562695385.db2.gz	NSMUITYTUDRYSP-JDIHBLRXSA-N	2	2	652.800	2.578	1	30		KFEFLP
CC(C)[C@H]([NH3+])C(=O)ONC(=[NH2+])c1ccc(OCCCCCOc2ccc(C(=[NH2+])NOC(=O)[C@@H]([NH3+])C(C)C)cc2)cc1	ZINC000066075272	562709943	/nfs/dbraw/zinc/70/99/43/562709943.db2.gz	OXPMCNJABSKCMN-DQEYMECFSA-N	4	2	570.691	2.608	1	30		KFEFLP
CCCc1ccccc1O[C@H]1C[C@H](C(=O)N[C@H](CCSC)C(=O)OC)[N@@H+](C/C=C/[C@@H]([NH3+])CS)C1	ZINC000072106076	562720895	/nfs/dbraw/zinc/72/08/95/562720895.db2.gz	PPFSPSPQEGLBCJ-HKULCTPXSA-N	2	2	509.738	2.685	1	30		KFEFLP
CCCc1ccccc1O[C@H]1C[C@H](C(=O)N[C@H](CCSC)C(=O)OC)[N@H+](C/C=C/[C@@H]([NH3+])CS)C1	ZINC000072106076	562720894	/nfs/dbraw/zinc/72/08/94/562720894.db2.gz	PPFSPSPQEGLBCJ-HKULCTPXSA-N	2	2	509.738	2.685	1	30		KFEFLP
CC[C@H]1OC(=O)[C@H](C)[C@@]2(O)O[C@@](C)(C[C@@H](C)CN3/C(=[NH+]\C(C)C)O[C@H]([C@H]3C)[C@]1(C)O)[C@H](O[C@@H]1O[C@H](C)C[C@H]([NH+](C)C)[C@H]1O)[C@H]2C	ZINC000072114008	562722586	/nfs/dbraw/zinc/72/25/86/562722586.db2.gz	YEXPTHWWBNZNNF-BTQBBQHTSA-N	2	2	641.847	2.514	1	30		KFEFLP
COc1ccc(CN2CC[NH+](CCOc3ccc(C(=O)NC(N)=[NH2+])cc3NC(=O)c3ccc(C#N)cc3)CC2)c(OC)c1OC	ZINC000072116361	562723087	/nfs/dbraw/zinc/72/30/87/562723087.db2.gz	GGLQQIXKZWYXBH-UHFFFAOYSA-N	2	2	615.691	2.656	1	30		KFEFLP
CCCCCCCCCCCCCC[NH2+]CC(=O)OCCSC[C@H]([NH3+])C(=O)N[C@@H](CO)C(=O)OC	ZINC000084655485	562747549	/nfs/dbraw/zinc/74/75/49/562747549.db2.gz	BOMLJSSZEXSRLD-VXKWHMMOSA-N	2	2	519.749	2.531	1	30		KFEFLP
C[NH2+]CC[C@]1(C(=O)O[C@@H]2Cc3c(cc4oc(C)cc(O)c-4c3=O)OC2(C)C)O[C@@H]1CCc1cc[nH+]c(N)c1	ZINC000085594073	560064753	/nfs/dbraw/zinc/06/47/53/560064753.db2.gz	TVBMXOXHBAWGEE-XJGOYTCSSA-N	2	2	523.586	2.789	1	30	biogenic,in-vitro	KFEFLP
C[NH2+]CC[C@@]1(C(=O)O[C@@H]2Cc3c(cc4oc(C)cc(O)c-4c3=O)OC2(C)C)O[C@@H]1CCc1cc[nH+]c(N)c1	ZINC000085594075	560064885	/nfs/dbraw/zinc/06/48/85/560064885.db2.gz	TVBMXOXHBAWGEE-DQCZWYHMSA-N	2	2	523.586	2.789	1	30	biogenic,in-vitro	KFEFLP
CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000095614468	562786620	/nfs/dbraw/zinc/78/66/20/562786620.db2.gz	WYJVKNNXBOJBLQ-KFIZHRIMSA-N	2	2	798.006	2.538	1	30		KFEFLP
CCCCCCCCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000095614468	562786619	/nfs/dbraw/zinc/78/66/19/562786619.db2.gz	WYJVKNNXBOJBLQ-KFIZHRIMSA-N	2	2	798.006	2.538	1	30		KFEFLP
C[NH+](C)CC#Cc1cccc(-c2nc(C(=O)NCCC[NH+]3CCOCC3)cc3c2[C@H](CCO)N([S@](=O)C(C)(C)C)C3)c1	ZINC000095872545	562790113	/nfs/dbraw/zinc/79/01/13/562790113.db2.gz	ZULKXFIPSRALQH-PJVIOAIDSA-N	2	2	595.810	2.815	1	30		KFEFLP
C[NH+](C)CC#Cc1cccc(-c2nc(C(=O)NCCC[NH+]3CCOCC3)cc3c2[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1	ZINC000095872546	562790086	/nfs/dbraw/zinc/79/00/86/562790086.db2.gz	ZULKXFIPSRALQH-VCDCVWTQSA-N	2	2	595.810	2.815	1	30		KFEFLP
C[NH+](C)CCOc1cc[nH+]c2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc21	ZINC000096176205	562792202	/nfs/dbraw/zinc/79/22/02/562792202.db2.gz	ZLMZLOZGGKYOFF-UHFFFAOYSA-N	2	2	517.536	2.840	1	30		KFEFLP
C[NH+](C)C[C@H](O)COc1cc[nH+]c2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc21	ZINC000096176211	562792172	/nfs/dbraw/zinc/79/21/72/562792172.db2.gz	WRSYTVRSPNFZAU-QFIPXVFZSA-N	2	2	546.574	2.806	1	30		KFEFLP
O=C(NCC#Cc1ccc2[nH+]ccc(OC[C@H]3CC[NH2+]C3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O	ZINC000096176228	562792272	/nfs/dbraw/zinc/79/22/72/562792272.db2.gz	ZRMWERAAUQKVKS-NRFANRHFSA-N	2	2	529.547	2.888	1	30		KFEFLP
C=C1CC[C@@H]2[C@](C)(COC(=O)C[NH+](C)C)[C@H](OC(=O)C[NH+](C)C)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O	ZINC000096924238	562802291	/nfs/dbraw/zinc/80/22/91/562802291.db2.gz	FIRPQEKBTKBJIR-OSFXNVEJSA-N	2	2	502.652	2.993	1	30		KFEFLP
O=C(NCC#Cc1ccc2[nH+]ccc(OC[C@@H]3CC[NH2+]C3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O	ZINC000118080381	562830092	/nfs/dbraw/zinc/83/00/92/562830092.db2.gz	ZRMWERAAUQKVKS-OAQYLSRUSA-N	2	2	529.547	2.888	1	30		KFEFLP
COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@H](Oc2cccc3c2CCCC3)C[N@H+]1C/C=C/[C@@H]([NH3+])CS	ZINC000139288668	562832445	/nfs/dbraw/zinc/83/24/45/562832445.db2.gz	USRNYXGTWZNTLS-ZFZGKLBJSA-N	2	2	521.749	2.611	1	30		KFEFLP
COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@H](Oc2cccc3c2CCCC3)C[N@@H+]1C/C=C/[C@@H]([NH3+])CS	ZINC000139288668	562832444	/nfs/dbraw/zinc/83/24/44/562832444.db2.gz	USRNYXGTWZNTLS-ZFZGKLBJSA-N	2	2	521.749	2.611	1	30		KFEFLP
C[NH+](C)C[C@@H](O)COc1cc[nH+]c2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc21	ZINC000144974921	562836736	/nfs/dbraw/zinc/83/67/36/562836736.db2.gz	WRSYTVRSPNFZAU-JOCHJYFZSA-N	2	2	546.574	2.806	1	30		KFEFLP
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(NCC[NH+](C)C)=C(C[C@@H](C)C[C@H](OC)[C@H]([NH2+]CC(F)F)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O	ZINC000150551438	562844604	/nfs/dbraw/zinc/84/46/04/562844604.db2.gz	VSTRGANTIHHZQP-QIOGQYACSA-N	2	2	679.806	2.776	1	30		KFEFLP
Nc1sc(-c2cc(F)ccc2F)nc1C(=O)N[C@@H](C=[NH2+])/C(=[NH+]/CC(F)F)N1CCC[C@@H](O)CC1	ZINC000169699287	562867554	/nfs/dbraw/zinc/86/75/54/562867554.db2.gz	YKCUWRKFCXWUIE-PVFFNKSZSA-N	2	2	500.522	2.929	1	30		KFEFLP
COCC[NH+]1CCN(C(=O)c2cc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4[NH2+][C@@H]5CC[C@H]4C5)c(F)c3)cs2)CC1	ZINC000219301259	562878063	/nfs/dbraw/zinc/87/80/63/562878063.db2.gz	NMBMMMBGRONBTI-VBZBYZBJSA-N	2	2	539.677	2.650	1	30		KFEFLP
Cn1c(CN2C(=O)CN(c3ccc(Oc4cc[nH+]cc4)cc3)C2=O)cc2cnc(C(=O)N[C@H](C#N)CCCC[NH3+])nc21	ZINC000473132745	562900325	/nfs/dbraw/zinc/90/03/25/562900325.db2.gz	VUWUOEHACPGMRP-FQEVSTJZSA-N	2	2	567.610	2.875	1	30		KFEFLP
O=C(C=Cc1ccc(N2CC[NH+](CCO)CC2)cc1)C=C(O)C=Cc1ccc(N2CC[NH+](CCO)CC2)cc1	ZINC000653792978	562912774	/nfs/dbraw/zinc/91/27/74/562912774.db2.gz	JLNXRNVHESZYNW-ZGZJEHTBSA-N	2	2	532.685	2.653	1	30		KFEFLP