smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])C[C@H](NC(=O)CNC(=O)c1cc(O)cc(NC2=[NH+]C[C@@H](O)CN2)c1)c1cc(Cl)cc(I)c1O	ZINC000003941810	561689429	/nfs/dbraw/zinc/68/94/29/561689429.db2.gz	HHVOIWMCAIXSEA-KRWDZBQOSA-N	0	0	631.811	1.150	1	10		KDCFRN
CCOC(=O)CN[C@@H]1C[C@H](O[C@H]2C[C@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@H](C)[C@@H]1O	ZINC000005520915	561696048	/nfs/dbraw/zinc/69/60/48/561696048.db2.gz	OTVLEINERQHWQO-VAEHAEPUSA-N	0	0	613.616	1.223	1	10		KDCFRN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC[C@@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]	ZINC000005822766	561698825	/nfs/dbraw/zinc/69/88/25/561698825.db2.gz	YXWIOQXTHBGCGS-VJANTYMQSA-N	0	0	511.495	1.803	1	10		KDCFRN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]	ZINC000005822767	561698793	/nfs/dbraw/zinc/69/87/93/561698793.db2.gz	YXWIOQXTHBGCGS-CADBVGFASA-N	0	0	511.495	1.803	1	10		KDCFRN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC[C@@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-]	ZINC000005822768	561698818	/nfs/dbraw/zinc/69/88/18/561698818.db2.gz	YXWIOQXTHBGCGS-XWSJACJDSA-N	0	0	511.495	1.803	1	10		KDCFRN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-]	ZINC000005822769	561698804	/nfs/dbraw/zinc/69/88/04/561698804.db2.gz	YXWIOQXTHBGCGS-YDZRNGNQSA-N	0	0	511.495	1.803	1	10		KDCFRN
CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2F)C1)C(=O)c1ccccc1C3=O	ZINC000005855534	561699809	/nfs/dbraw/zinc/69/98/09/561699809.db2.gz	NGJXJNTVSNDJSI-BYVHKUAASA-N	0	0	516.474	1.002	1	10		KDCFRN
COC(=O)C1=C(C(=O)OC)[C@H]2N(C)c3ccc(OC)cc3[C@@]23C[C@@H](C(=O)OC)N(C(=O)CC(C)C)C3=N1	ZINC000012510069	561711213	/nfs/dbraw/zinc/71/12/13/561711213.db2.gz	SDYBQOYRYBXADP-GYDRKIPBSA-N	0	0	513.547	1.584	1	10		KDCFRN
O=C(CCN1CCOCC1)Nc1ccc(NC(=O)CCN2CCOCC2)c2c1C(=O)c1ccccc1C2=O	ZINC000013556196	561718672	/nfs/dbraw/zinc/71/86/72/561718672.db2.gz	FSMRMUDCRVGEFR-UHFFFAOYSA-N	0	0	520.586	1.784	1	10		KDCFRN
O=C(CCN1CCOCC1)Nc1cccc2c1C(=O)c1cccc(NC(=O)CCN3CCOCC3)c1C2=O	ZINC000013556203	561718637	/nfs/dbraw/zinc/71/86/37/561718637.db2.gz	XCXJDSJBAFIETK-UHFFFAOYSA-N	0	0	520.586	1.784	1	10		KDCFRN
O=C(CCN1CCOCC1)Nc1cccc2c1C(=O)c1c(NC(=O)CCN3CCOCC3)cccc1C2=O	ZINC000013556214	561718676	/nfs/dbraw/zinc/71/86/76/561718676.db2.gz	UJQRITJTWKOBET-UHFFFAOYSA-N	0	0	520.586	1.784	1	10		KDCFRN
O=C(CCN1CCOCC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCOCC3)cc1C2=O	ZINC000013556219	561718630	/nfs/dbraw/zinc/71/86/30/561718630.db2.gz	MNNVTJGXKLOOHK-UHFFFAOYSA-N	0	0	520.586	1.784	1	10		KDCFRN
O=C(CCN1CCOCC1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN3CCOCC3)ccc1C2=O	ZINC000013556229	561718663	/nfs/dbraw/zinc/71/86/63/561718663.db2.gz	IUEBZOGANFYKFH-UHFFFAOYSA-N	0	0	520.586	1.784	1	10		KDCFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccc(OC)cc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2cccs2)C3=N1	ZINC000017654413	561757423	/nfs/dbraw/zinc/75/74/23/561757423.db2.gz	DEGLRJHVBFYZBH-BLRRAGTOSA-N	0	0	575.621	1.461	1	10		KDCFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccc(OC)cc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2c(C)noc2C)C3=N1	ZINC000017654422	561757488	/nfs/dbraw/zinc/75/74/88/561757488.db2.gz	TWTQINGPMKYPEJ-CWVVSJDFSA-N	0	0	588.595	1.005	1	10		KDCFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccc(OC)cc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc(C)cc2)C3=N1	ZINC000017654428	561757526	/nfs/dbraw/zinc/75/75/26/561757526.db2.gz	XXRDKIDLPVXCFE-GTFGCAHESA-N	0	0	583.619	1.708	1	10		KDCFRN
CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)Cc4ccc(N)cc4)cc3)nc2c(=O)n(CCC)c1=O	ZINC000025996020	561765073	/nfs/dbraw/zinc/76/50/73/561765073.db2.gz	ZASQYKXYMHONFW-UHFFFAOYSA-N	0	0	561.643	1.809	1	10		KDCFRN
CCOC(=O)CN[C@@H]1C[C@H](O[C@H]2C[C@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@@H]1O	ZINC000026185137	561772547	/nfs/dbraw/zinc/77/25/47/561772547.db2.gz	OTVLEINERQHWQO-ITQCLZPYSA-N	0	0	613.616	1.223	1	10		KDCFRN
C[C@@H]1O[C@H](O[C@H]2C[C@](O)(C(=O)[N-]OCc3ccccc3)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H]([NH3+])[C@@H]1O	ZINC000026469381	561790281	/nfs/dbraw/zinc/79/02/81/561790281.db2.gz	QMFKSUUHCZNRLR-XROVYANXSA-N	0	0	604.612	1.679	1	10		KDCFRN
CC1(C)O[C@H]2[C@H](O1)[C@H](O)CN(c1ccc(OCCCOc3ccc(N4C[C@@H](O)[C@H]5OC(C)(C)O[C@@H]5[C@H](O)C4)cc3)cc1)C[C@H]2O	ZINC000026471428	561790503	/nfs/dbraw/zinc/79/05/03/561790503.db2.gz	YGHGOAFGBKLIOS-BBUPZDIZSA-N	0	0	630.735	1.658	1	10		KDCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H](N2CCOCC2)[C@@H](O)[C@@H](C)O1	ZINC000026475218	561790941	/nfs/dbraw/zinc/79/09/41/561790941.db2.gz	OYIWRKOSDGPKFD-MMNRRRESSA-N	0	0	597.617	1.402	1	10		KDCFRN
CC(C)[C@H]([NH2+]Cc1cc(F)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC[S@@](C)=O)C(=O)[O-]	ZINC000026828810	561822515	/nfs/dbraw/zinc/82/25/15/561822515.db2.gz	RIRXDBNYHVAVMZ-JKOXRCHNSA-N	0	0	535.638	1.711	1	10		KDCFRN
CC(C)[C@H]([NH2+]Cc1cc(F)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC[S@](C)=O)C(=O)[O-]	ZINC000026828815	561822503	/nfs/dbraw/zinc/82/25/03/561822503.db2.gz	RIRXDBNYHVAVMZ-CLHNSOOMSA-N	0	0	535.638	1.711	1	10		KDCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H](NC(=O)c2cccc(N3C(=O)C=CC3=O)c2)[C@@H](O)[C@@H](C)O1	ZINC000027713259	561880010	/nfs/dbraw/zinc/88/00/10/561880010.db2.gz	YCFMRQGIVGBVLK-RKCCIZPHSA-N	0	0	726.691	1.930	1	10		KDCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](NC(=O)Cc2ccccc2)[C@@H](O)[C@@H](C)O1	ZINC000027998534	561894303	/nfs/dbraw/zinc/89/43/03/561894303.db2.gz	QKCAEMBMXJTSLK-GKXHDEOZSA-N	0	0	661.660	1.402	1	10		KDCFRN
CCOC(=O)[C@@H](OC(=O)[N-]C(=O)[n+]1ccccc1C(=O)OC)N1C(=O)C(CC)(CC)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000028468616	561926636	/nfs/dbraw/zinc/92/66/36/561926636.db2.gz	WGTCMYAJWCFOFL-XXBNENTESA-O	0	0	576.604	1.793	1	10		KDCFRN
CCOC(=O)[C@H](OC(=O)[N-]C(=O)[n+]1ccccc1C(=O)OC)N1C(=O)C(CC)(CC)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000028468620	561926645	/nfs/dbraw/zinc/92/66/45/561926645.db2.gz	WGTCMYAJWCFOFL-CVDCTZTESA-O	0	0	576.604	1.793	1	10		KDCFRN
CCOC(=O)[C@@H](OC(=O)[N-]C(=O)[n+]1ccccc1C(=O)OC)N1C(=O)C(CC)(CC)[C@H]1S(=O)(=O)c1ccccc1	ZINC000028468625	561926643	/nfs/dbraw/zinc/92/66/43/561926643.db2.gz	WGTCMYAJWCFOFL-AUSIDOKSSA-O	0	0	576.604	1.793	1	10		KDCFRN
CCOC(=O)[C@H](OC(=O)[N-]C(=O)[n+]1ccccc1C(=O)OC)N1C(=O)C(CC)(CC)[C@H]1S(=O)(=O)c1ccccc1	ZINC000028468629	561926597	/nfs/dbraw/zinc/92/65/97/561926597.db2.gz	WGTCMYAJWCFOFL-WMZHIEFXSA-O	0	0	576.604	1.793	1	10		KDCFRN
COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccc(N)cc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1O	ZINC000028477798	561928739	/nfs/dbraw/zinc/92/87/39/561928739.db2.gz	MLPFLBBETCPBJZ-TVZIFOOBSA-N	0	0	529.546	1.392	1	10		KDCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](n2cc(CCO)nn2)[C@H](O)[C@H](C)O1	ZINC000028566728	561936450	/nfs/dbraw/zinc/93/64/50/561936450.db2.gz	OUIAGTUQFPVQIV-URAGMHASSA-N	0	0	623.615	1.069	1	10		KDCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](n2cc(CCCO)nn2)[C@H](O)[C@H](C)O1	ZINC000028566730	561936468	/nfs/dbraw/zinc/93/64/68/561936468.db2.gz	FIHFDQJUTYMLGF-XYFZUOAXSA-N	0	0	637.642	1.459	1	10		KDCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](n2cc(CCCCO)nn2)[C@H](O)[C@H](C)O1	ZINC000028566732	561936474	/nfs/dbraw/zinc/93/64/74/561936474.db2.gz	FFRFOMGYGVQECY-PLCAQZSNSA-N	0	0	651.669	1.849	1	10		KDCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](n2cc(CO)nn2)[C@H](O)[C@H](C)O1	ZINC000028567694	561936864	/nfs/dbraw/zinc/93/68/64/561936864.db2.gz	WZIJOEMPCXOPEN-VNSZZRIASA-N	0	0	609.588	1.027	1	10		KDCFRN
CCOC(=O)[C@H](CC(C)C)N[P@@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O)Oc1ccccc1	ZINC000028635013	561940947	/nfs/dbraw/zinc/94/09/47/561940947.db2.gz	WABAQIZFKLRWNT-ZVDVZZRCSA-N	0	0	582.507	1.565	1	10		KDCFRN
CCOC(=O)[C@H](CC(C)C)N[P@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O)Oc1ccccc1	ZINC000028635016	561940906	/nfs/dbraw/zinc/94/09/06/561940906.db2.gz	WABAQIZFKLRWNT-KDGGPERPSA-N	0	0	582.507	1.565	1	10		KDCFRN
CCOC(=O)[C@@H]1CCCN1[P@@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O)Oc1ccccc1	ZINC000028635275	561941006	/nfs/dbraw/zinc/94/10/06/561941006.db2.gz	JJOMVWAYWGRHSW-PMIIULPRSA-N	0	0	566.464	1.025	1	10		KDCFRN
CCOC(=O)[C@@H]1CCCN1[P@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O)Oc1ccccc1	ZINC000028635278	561941003	/nfs/dbraw/zinc/94/10/03/561941003.db2.gz	JJOMVWAYWGRHSW-XVVFNKCFSA-N	0	0	566.464	1.025	1	10		KDCFRN
CCOC(=O)[C@H](CCSC)N[P@@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O)Oc1ccccc1	ZINC000028635547	561940999	/nfs/dbraw/zinc/94/09/99/561940999.db2.gz	NWACJFCQHHPVAW-PMIIULPRSA-N	0	0	600.547	1.272	1	10		KDCFRN
CCOC(=O)[C@H](CCSC)N[P@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O)Oc1ccccc1	ZINC000028635550	561941015	/nfs/dbraw/zinc/94/10/15/561941015.db2.gz	NWACJFCQHHPVAW-XVVFNKCFSA-N	0	0	600.547	1.272	1	10		KDCFRN
C[C@H](N[P@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1	ZINC000028635792	561941128	/nfs/dbraw/zinc/94/11/28/561941128.db2.gz	KVFSNZSJTZEAOJ-FOBNCVNESA-N	0	0	602.497	1.719	1	10		KDCFRN
CCOC(=O)[C@@H](N[P@@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O)Oc1ccccc1)C1CCCC1	ZINC000028635807	561941107	/nfs/dbraw/zinc/94/11/07/561941107.db2.gz	JPHZBUABARFCEA-MZIRHNCHSA-N	0	0	594.518	1.709	1	10		KDCFRN
CCOC(=O)[C@@H](N[P@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O)Oc1ccccc1)C1CCCC1	ZINC000028635810	561941145	/nfs/dbraw/zinc/94/11/45/561941145.db2.gz	JPHZBUABARFCEA-YHHCADBLSA-N	0	0	594.518	1.709	1	10		KDCFRN
CCCCOC(=O)[C@H](C)N[P@@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O)Oc1ccccc1	ZINC000028636947	561941409	/nfs/dbraw/zinc/94/14/09/561941409.db2.gz	FUNZOJSVMPRJMS-JPCJUERXSA-N	0	0	568.480	1.319	1	10		KDCFRN
O=C([O-])C[C@@H](NC(=O)CNC(=O)c1cc(O)cc(NC2=[NH+]C[C@H](O)CN2)c1)c1cc(Cl)cc(I)c1O	ZINC000028714289	561954906	/nfs/dbraw/zinc/95/49/06/561954906.db2.gz	HHVOIWMCAIXSEA-QGZVFWFLSA-N	0	0	631.811	1.150	1	10		KDCFRN
Nc1cc(NC2=[NH+]C[C@@H](O)CN2)cc(C(=O)NCC(=O)N[C@H](CC(=O)[O-])c2cc(Cl)cc(I)c2O)c1	ZINC000028714299	561954992	/nfs/dbraw/zinc/95/49/92/561954992.db2.gz	ANPKMPZUZYQLPH-QGZVFWFLSA-N	0	0	630.827	1.026	1	10		KDCFRN
Cc1cc(C)c(O)c([C@@H](CC(=O)[O-])NC(=O)CNC(=O)c2cc(N)cc(NC3=[NH+]C[C@@H](F)CN3)c2)c1	ZINC000028714310	561954987	/nfs/dbraw/zinc/95/49/87/561954987.db2.gz	URDBOWYEVUVRDS-LJQANCHMSA-N	0	0	500.531	1.362	1	10		KDCFRN
[N-]=[N+]=NC[C@@H](O)[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1	ZINC000028769124	561960722	/nfs/dbraw/zinc/96/07/22/561960722.db2.gz	KFWRSPWHXHWFJD-JYIVOWJTSA-N	0	0	639.758	1.577	1	10		KDCFRN
COc1ccc(C[C@H](NC(=O)N2CCOCC2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](CC2CCCCC2)[C@H](O)[C@H](O)CN=[N+]=[N-])cc1	ZINC000028769774	561960999	/nfs/dbraw/zinc/96/09/99/561960999.db2.gz	BPXKJICUIINLGX-LLQHYSMESA-N	0	0	669.784	1.586	1	10		KDCFRN
COc1ccc(N2CCN(C(=O)COc3ccc(-c4cc5c([nH]4)c(=O)n(C)c(=O)n5C)c(OC)c3)CC2)cc1	ZINC000029058637	561995324	/nfs/dbraw/zinc/99/53/24/561995324.db2.gz	RMBFDMIXDXPOOI-UHFFFAOYSA-N	0	0	533.585	1.977	1	10		KDCFRN
COc1ccc(N2CCN(C(=O)COc3ccc(-c4cc5c([nH]4)c(=O)n(C)c(=O)n5C)cc3)CC2)cc1	ZINC000029059601	561995548	/nfs/dbraw/zinc/99/55/48/561995548.db2.gz	BJDSGGOVWSZMIQ-UHFFFAOYSA-N	0	0	503.559	1.969	1	10		KDCFRN
CC[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(C)=O	ZINC000029226592	562008417	/nfs/dbraw/zinc/00/84/17/562008417.db2.gz	VLPCQYPTNDPWOQ-NLAWYYDQSA-N	0	0	636.750	1.611	1	10		KDCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H](NC(C)=O)[C@@H](O)[C@@H](C)O1	ZINC000029414315	562022518	/nfs/dbraw/zinc/02/25/18/562022518.db2.gz	UCEMIGLIQIYVAH-HHWUSBOOSA-N	0	0	569.563	1.206	1	10		KDCFRN
COC(=O)[C@H](Cc1ccccc1)N[P@](=O)(OC)OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]	ZINC000029485833	562028219	/nfs/dbraw/zinc/02/82/19/562028219.db2.gz	UYMOGJMNVIYHNW-YRXFEJPCSA-N	0	0	522.455	1.956	1	10		KDCFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccc(OC)cc3[C@@]23C[C@@H](C(=O)OC)N(C(=O)NC(C)(C)C)C3=N1	ZINC000036381589	562059732	/nfs/dbraw/zinc/05/97/32/562059732.db2.gz	XBCYJUAYBADTOR-VONMNZPZSA-N	0	0	528.562	1.519	1	10		KDCFRN
CCCNC(=O)N1C2=NC(C(=O)OC)=C(C(=O)OC)[C@@H]3N(C)c4ccc(OC)cc4[C@]23C[C@H]1C(=O)OC	ZINC000036381590	562059758	/nfs/dbraw/zinc/05/97/58/562059758.db2.gz	JPGDVCRUWOMLFY-GIIVHJRKSA-N	0	0	514.535	1.131	1	10		KDCFRN
COc1c(C)cc2c(c1O)[C@@H]1[C@@H]3[C@H]4SC[C@@H](N)C(=O)OC[C@@H](c5c(O)c(OC)c(C)c(OC(C)=O)c54)N3[C@@H](O)[C@H](C2)N1C	ZINC000042803371	562088183	/nfs/dbraw/zinc/08/81/83/562088183.db2.gz	IDGGTQFUYFZADM-MKCYGLBDSA-N	0	0	615.705	1.971	1	10		KDCFRN
C[C@H](N[P@@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2cnc3c2nc[nH]c3=O)[C@H](O)[C@@H]1O)Oc1ccccc1)C(=O)OC(C)(C)C	ZINC000042804600	562088874	/nfs/dbraw/zinc/08/88/74/562088874.db2.gz	SWEJIDQNMMSTDX-RXJCABDTSA-N	0	0	592.506	1.900	1	10		KDCFRN
C[C@H](N[P@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2cnc3c2nc[nH]c3=O)[C@H](O)[C@@H]1O)Oc1ccccc1)C(=O)OC(C)(C)C	ZINC000042804605	562088863	/nfs/dbraw/zinc/08/88/63/562088863.db2.gz	SWEJIDQNMMSTDX-NLRIXKHISA-N	0	0	592.506	1.900	1	10		KDCFRN
CC[C@@H](C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O)Oc1ccccc1	ZINC000043552654	562649640	/nfs/dbraw/zinc/64/96/40/562649640.db2.gz	GZZRUTLALPTEEH-IJKJJMECSA-N	0	0	568.480	1.317	1	10		KDCFRN
CC[C@H](C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O)Oc1ccccc1	ZINC000043552656	562649646	/nfs/dbraw/zinc/64/96/46/562649646.db2.gz	GZZRUTLALPTEEH-VVVMIFOFSA-N	0	0	568.480	1.317	1	10		KDCFRN
CC[C@@H](C)OC(=O)[C@H](C)N[P@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O)Oc1ccccc1	ZINC000043552658	562649636	/nfs/dbraw/zinc/64/96/36/562649636.db2.gz	GZZRUTLALPTEEH-JTQAAPCKSA-N	0	0	568.480	1.317	1	10		KDCFRN
C[C@H](N[P@@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O)Oc1ccccc1)C(=O)OC(C)(C)C	ZINC000043552708	562649681	/nfs/dbraw/zinc/64/96/81/562649681.db2.gz	DWEDIEDYSMQNDQ-WMXSUDOQSA-N	0	0	568.480	1.317	1	10		KDCFRN
C[C@H](N[P@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O)Oc1ccccc1)C(=O)OC(C)(C)C	ZINC000043552710	562649688	/nfs/dbraw/zinc/64/96/88/562649688.db2.gz	DWEDIEDYSMQNDQ-QQXOQCTRSA-N	0	0	568.480	1.317	1	10		KDCFRN
Cc1ccc(S(=O)(=O)n2cc3c4c2C(=O)c2c(n[nH]c2[C@]2(O)c5ccccc5N(C)C2=O)C4=NCC3)cc1	ZINC000044031849	562651684	/nfs/dbraw/zinc/65/16/84/562651684.db2.gz	VWNQHWGBMSHUJK-HHHXNRCGSA-N	0	0	527.562	1.907	1	10		KDCFRN
Cc1ccc(S(=O)(=O)n2cc3c4c2C(=O)c2c(n[nH]c2[C@@]2(O)c5ccccc5N(C)C2=O)C4=NCC3)cc1	ZINC000044031851	562651676	/nfs/dbraw/zinc/65/16/76/562651676.db2.gz	VWNQHWGBMSHUJK-MHZLTWQESA-N	0	0	527.562	1.907	1	10		KDCFRN
CCOC(=O)N1CO[C@H]2[C@@H]1C[C@H](O[C@H]1C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c31)C(=O)c1c(OC)cccc1C4=O)O[C@H]2C	ZINC000044053310	562651990	/nfs/dbraw/zinc/65/19/90/562651990.db2.gz	SDEQLAGWXSSXGC-YQFOWSRCSA-N	0	0	627.599	1.497	1	10		KDCFRN
CCOC(=O)[C@@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](OC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)C1	ZINC000044306310	562653737	/nfs/dbraw/zinc/65/37/37/562653737.db2.gz	QRWMZZNSGRCHHG-SCEVIUHRSA-N	0	0	588.562	1.820	1	10	biogenic,in-vitro	KDCFRN
CCOC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000044306569	562653794	/nfs/dbraw/zinc/65/37/94/562653794.db2.gz	WTUPZYOQFGPHOS-QIOUUQIKSA-N	0	0	588.562	1.820	1	10	biogenic,in-vitro	KDCFRN
CCOC(=O)Cn1c(=O)c(C)cn(CCn2cc(CO[C@H]3Cc4c(O)cc(O)cc4O[C@@H]3c3ccc(O)c(O)c3)nn2)c1=O	ZINC000044350736	562654364	/nfs/dbraw/zinc/65/43/64/562654364.db2.gz	HQLLNMPCHSBQPK-AHKZPQOWSA-N	0	0	609.592	1.257	1	10		KDCFRN
COC(=O)c1c(C)ccc2c(O)c3c(cc21)C(=O)c1c2c(cc(O)c1C3=O)[C@@]1(C)O[C@@H](O2)[C@@H](O)[C@H](N(C)C)[C@H]1O	ZINC000044351691	562654807	/nfs/dbraw/zinc/65/48/07/562654807.db2.gz	ZIOYGSZIUMVQSO-CWOXXLDKSA-N	0	0	549.532	1.737	1	10		KDCFRN
COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](SC)C[C@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@H](O)[C@@H](N(C)C)[C@@H]1O	ZINC000044351711	562654824	/nfs/dbraw/zinc/65/48/24/562654824.db2.gz	WMXVARAIQDCNTH-KCTIBYJUSA-N	0	0	615.657	1.305	1	10		KDCFRN
CCOC(=O)Cn1c(=O)c(C)cn(CCn2cc(CO[C@@H]3Cc4c(O)cc(O)cc4O[C@@H]3c3ccc(O)c(O)c3)nn2)c1=O	ZINC000044352089	562654993	/nfs/dbraw/zinc/65/49/93/562654993.db2.gz	HQLLNMPCHSBQPK-XNMGPUDCSA-N	0	0	609.592	1.257	1	10		KDCFRN
COc1c2c(oc3c2C(=O)c2ccccc2C3=O)c2ccccc2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000044387644	562656154	/nfs/dbraw/zinc/65/61/54/562656154.db2.gz	NAVQPSCNRHEZLY-FPISNOLNSA-N	0	0	506.463	1.549	1	10		KDCFRN
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](O)[C@H](C)O[C@H]1Oc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O	ZINC000044404973	562656527	/nfs/dbraw/zinc/65/65/27/562656527.db2.gz	KCNQHDPLSQKCFV-QXXCCVGTSA-N	0	0	500.456	1.530	1	10		KDCFRN
CCOC(=O)[C@H](C)N[P@@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2cnc3c2nc[nH]c3=O)[C@H](O)[C@@H]1O)Oc1ccccc1	ZINC000044405703	562656690	/nfs/dbraw/zinc/65/66/90/562656690.db2.gz	YBVCOIGKIJCEQR-LMRPISFISA-N	0	0	564.452	1.122	1	10		KDCFRN
CCOC(=O)[C@H](C)N[P@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2cnc3c2nc[nH]c3=O)[C@H](O)[C@@H]1O)Oc1ccccc1	ZINC000044405707	562656692	/nfs/dbraw/zinc/65/66/92/562656692.db2.gz	YBVCOIGKIJCEQR-LTVXJTSRSA-N	0	0	564.452	1.122	1	10		KDCFRN
CC(C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2cnc3c2nc[nH]c3=O)[C@H](O)[C@@H]1O)Oc1ccccc1	ZINC000044405787	562656735	/nfs/dbraw/zinc/65/67/35/562656735.db2.gz	CNOUCVNOTIKTGY-SNVLBQPLSA-N	0	0	578.479	1.510	1	10		KDCFRN
CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2cnc3c2nc[nH]c3=O)[C@H](O)[C@@H]1O)Oc1ccccc1	ZINC000044405792	562656749	/nfs/dbraw/zinc/65/67/49/562656749.db2.gz	CNOUCVNOTIKTGY-POCOHPOISA-N	0	0	578.479	1.510	1	10		KDCFRN
CC(C)O[C@H]1C[C@@](C)(O)Cc2cc3c(c(O)c21)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@H](O)[C@@H](N(C)C)[C@@H]1O	ZINC000044406102	562656775	/nfs/dbraw/zinc/65/67/75/562656775.db2.gz	QLADUUPQHDJAAB-LPMDVAFNSA-N	0	0	569.607	1.652	1	10		KDCFRN
COC(=O)[C@@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](OC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)C1	ZINC000044418919	562657363	/nfs/dbraw/zinc/65/73/63/562657363.db2.gz	QXOKQINPRTYYQK-PIHNLQSFSA-N	0	0	574.535	1.430	1	10	biogenic,in-vitro	KDCFRN
COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000044430720	562657656	/nfs/dbraw/zinc/65/76/56/562657656.db2.gz	HNVWFUAOTFONLC-WMUFCWPYSA-N	0	0	574.535	1.430	1	10	biogenic,in-vitro	KDCFRN
CCCOCCn1c2cc(-c3ccc(OC)nc3)ncc2nc(NCC(=O)N2CCN(CC)CC2)c1=O	ZINC000045253866	562659830	/nfs/dbraw/zinc/65/98/30/562659830.db2.gz	GQFFSMUOVRZLPX-UHFFFAOYSA-N	0	0	509.611	1.865	1	10		KDCFRN
CCCOCCn1c2cc(-c3ccc(OC)nc3)cnc2nc(NCC(=O)N2CCN(CC)CC2)c1=O	ZINC000045301752	562660505	/nfs/dbraw/zinc/66/05/05/562660505.db2.gz	SQZBWOCANVVLAL-UHFFFAOYSA-N	0	0	509.611	1.865	1	10		KDCFRN
CCOC(=O)CN(CC#N)[C@@H]1C[C@H](O[C@H]2C[C@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@H](C)[C@@H]1O	ZINC000049735190	562673409	/nfs/dbraw/zinc/67/34/09/562673409.db2.gz	KPDKPIRUSCZADV-SIPOJWKHSA-N	0	0	652.653	1.459	1	10		KDCFRN
COC(=O)[C@]12C[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@@H](O)[C@H](O1)[C@@H](COC(=O)/C=C/c1ccc(O)c(O)c1)O2	ZINC000049780441	562681698	/nfs/dbraw/zinc/68/16/98/562681698.db2.gz	YEMWKQFIGUCZFS-PBYGLRBLSA-N	0	0	572.519	1.412	1	10		KDCFRN
COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)c2cc(OC)c(O)c(OC)c2)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000049793608	562685008	/nfs/dbraw/zinc/68/50/08/562685008.db2.gz	NJQRNAMEYKKLLB-KUIMDDQMSA-N	0	0	548.497	1.030	1	10		KDCFRN
CC[NH+](CC)[C@H]1C[C@](C)(O)[C@H](C(=O)OC)c2cc3c(c([O-])c21)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@H](O)[C@@H](N(C)C)[C@@H]1O	ZINC000049841222	562688108	/nfs/dbraw/zinc/68/81/08/562688108.db2.gz	MVMYIYTYHOVBNC-LYTSOOSKSA-N	0	0	640.686	1.283	1	10		KDCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1I	ZINC000049864983	562689306	/nfs/dbraw/zinc/68/93/06/562689306.db2.gz	GCSBQVMWUNVMCU-WCCQUPQISA-N	0	0	654.406	1.476	1	10		KDCFRN
Nc1ncnc2c1ncn2CCn1cc(CO[C@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)nn1	ZINC000049872292	562689902	/nfs/dbraw/zinc/68/99/02/562689902.db2.gz	JOCMPDOPUFZEHZ-JTHBVZDNSA-N	0	0	532.517	1.784	1	10		KDCFRN
Nc1ncnc2c1ncn2CCn1cc(CO[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)nn1	ZINC000049877694	562690235	/nfs/dbraw/zinc/69/02/35/562690235.db2.gz	JOCMPDOPUFZEHZ-FYYLOGMGSA-N	0	0	532.517	1.784	1	10		KDCFRN
CCCO[C@H]1C[C@@](C)(O)[C@H](C(=O)OC)c2cc3c(c(O)c21)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@H](O)[C@@H](N(C)C)[C@@H]1O	ZINC000049889428	562692103	/nfs/dbraw/zinc/69/21/03/562692103.db2.gz	FIFTYESPGBURPJ-KJDIZCGHSA-N	0	0	627.643	1.368	1	10		KDCFRN
O=C([O-])C[C@@H](NC(=O)CNC(=O)c1cccc(NC2=[NH+]C[C@H](O)CN2)c1)c1cc(Cl)cc(Cl)c1[O-]	ZINC000053007457	562696060	/nfs/dbraw/zinc/69/60/60/562696060.db2.gz	IXHZPLJXSCDPAS-QGZVFWFLSA-N	0	0	524.361	1.493	1	10		KDCFRN
O=C([O-])C[C@@H](NC(=O)CNC(=O)c1cc(O)cc(NC2=[NH+]C[C@H](O)CN2)c1)c1cc(Br)cc(Cl)c1[O-]	ZINC000053014363	562696079	/nfs/dbraw/zinc/69/60/79/562696079.db2.gz	NGGOJXBEPPGLTQ-QGZVFWFLSA-N	0	0	584.811	1.308	1	10		KDCFRN
O=C([O-])C[C@H](NC(=O)CNC(=O)c1cccc(NC2=[NH+]C[C@H](O)CN2)c1)c1cc(Cl)cc(I)c1O	ZINC000053224578	562696510	/nfs/dbraw/zinc/69/65/10/562696510.db2.gz	XKDMJLUJUJKDAI-KRWDZBQOSA-N	0	0	615.812	1.444	1	10		KDCFRN
O=C([O-])C[C@@H](NC(=O)CNC(=O)c1cc(O)cc(NC2=[NH+]C[C@H](O)CN2)c1)c1cc(Br)cc(Br)c1[O-]	ZINC000058510281	562698379	/nfs/dbraw/zinc/69/83/79/562698379.db2.gz	NFGCCSJOLREWKI-QGZVFWFLSA-N	0	0	629.262	1.417	1	10		KDCFRN
COc1c(C)cc2c(c1O)[C@@H]1[C@@H]3[C@H]4SC[C@H](N)C(=O)OC[C@@H](c5c(O)c(OC)c(C)c(OC(C)=O)c54)N3[C@@H](O)[C@H](C2)N1C	ZINC000058592421	562700587	/nfs/dbraw/zinc/70/05/87/562700587.db2.gz	IDGGTQFUYFZADM-AYNXZWFTSA-N	0	0	615.705	1.971	1	10		KDCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H](N2CCOCC2)[C@H](O)[C@@H](C)O1	ZINC000058596154	562700694	/nfs/dbraw/zinc/70/06/94/562700694.db2.gz	OYIWRKOSDGPKFD-OOVOFHBWSA-N	0	0	597.617	1.402	1	10		KDCFRN
CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2F)C1)C(=O)c1ccccc1C3=O	ZINC000064512486	562706241	/nfs/dbraw/zinc/70/62/41/562706241.db2.gz	NGJXJNTVSNDJSI-VDKNAUBWSA-N	0	0	516.474	1.002	1	10		KDCFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccc(OC)cc3[C@]23C[C@@H](C(=O)OC)N(C(=O)c2cccs2)C3=N1	ZINC000066123873	562712591	/nfs/dbraw/zinc/71/25/91/562712591.db2.gz	HWPKCTOCMXHMTP-SKNUGPPASA-N	0	0	539.566	1.913	1	10		KDCFRN
CCCNC(=O)N1C2=NC(C(=O)OC)=C(C(=O)OC)[C@@H]3N(C)c4ccc(OC)cc4[C@]23C[C@@H]1C(=O)OC	ZINC000066136243	562712991	/nfs/dbraw/zinc/71/29/91/562712991.db2.gz	JPGDVCRUWOMLFY-GSQWSPMESA-N	0	0	514.535	1.131	1	10		KDCFRN
CCCNC(=O)N1C2=NC(C(=O)OC)=C(C(=O)OC)[C@@H]3N(C)c4ccc(OC)cc4[C@@]23C[C@H]1C(=O)OC	ZINC000066136244	562713032	/nfs/dbraw/zinc/71/30/32/562713032.db2.gz	JPGDVCRUWOMLFY-RSLCBRBSSA-N	0	0	514.535	1.131	1	10		KDCFRN
CCCNC(=O)N1C2=NC(C(=O)OC)=C(C(=O)OC)[C@@H]3N(C)c4ccc(OC)cc4[C@@]23C[C@@H]1C(=O)OC	ZINC000066136245	562713055	/nfs/dbraw/zinc/71/30/55/562713055.db2.gz	JPGDVCRUWOMLFY-IYJATWDHSA-N	0	0	514.535	1.131	1	10		KDCFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccc(OC)cc3[C@@]23C[C@H](C(=O)OC)N(C(=O)NC(C)(C)C)C3=N1	ZINC000066136254	562713045	/nfs/dbraw/zinc/71/30/45/562713045.db2.gz	XBCYJUAYBADTOR-RUHBRDOYSA-N	0	0	528.562	1.519	1	10		KDCFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccc(OC)cc3[C@]23C[C@@H](C(=O)OC)N(C(=O)NC(C)(C)C)C3=N1	ZINC000066136255	562713059	/nfs/dbraw/zinc/71/30/59/562713059.db2.gz	XBCYJUAYBADTOR-DOUBQNQPSA-N	0	0	528.562	1.519	1	10		KDCFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccc(OC)cc3[C@]23C[C@H](C(=O)OC)N(C(=O)NC(C)(C)C)C3=N1	ZINC000066136256	562713064	/nfs/dbraw/zinc/71/30/64/562713064.db2.gz	XBCYJUAYBADTOR-ROGNIZAZSA-N	0	0	528.562	1.519	1	10		KDCFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccc(OC)cc3[C@]23C[C@@H](C(=O)OC)N(C(=O)c2ccco2)C3=N1	ZINC000066167146	562714290	/nfs/dbraw/zinc/71/42/90/562714290.db2.gz	MWGKMTXTNKWECH-SKNUGPPASA-N	0	0	523.498	1.444	1	10		KDCFRN
COCCOc1ccc(N2CCN(CCn3ncc4c5nn(Cc6ccccc6)c(=O)n5c(N)nc43)CC2)c(F)c1	ZINC000071296846	562717662	/nfs/dbraw/zinc/71/76/62/562717662.db2.gz	PNGNBTDZXHEYMO-UHFFFAOYSA-N	0	0	561.622	1.858	1	10		KDCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@@H](C)O)C[C@@H]3O[C@H]1C[C@H](N2CCOCC2)[C@H](O)[C@H](C)O1	ZINC000072138019	562728587	/nfs/dbraw/zinc/72/85/87/562728587.db2.gz	HHYBFIDBQVZLJL-LGZRNYCBSA-N	0	0	599.633	1.194	1	10		KDCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@H](C)O)C[C@@H]3O[C@H]1C[C@H](N2CCOCC2)[C@H](O)[C@H](C)O1	ZINC000072138020	562728571	/nfs/dbraw/zinc/72/85/71/562728571.db2.gz	HHYBFIDBQVZLJL-FGTOJQLDSA-N	0	0	599.633	1.194	1	10		KDCFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccc(OC)cc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc4c(c2)OCCN4C)C3=N1	ZINC000072157053	562730189	/nfs/dbraw/zinc/73/01/89/562730189.db2.gz	KRLMBZQSVAXTQV-YJHYVVDTSA-N	0	0	640.671	1.228	1	10		KDCFRN
O=c1n(CCO)ncn1-c1ccc(N2CCN(c3ccc(OC[C@H]4CO[C@](Cn5cncn5)(c5ccc(F)cc5F)O4)cc3)CC2)cn1	ZINC000072177221	562731767	/nfs/dbraw/zinc/73/17/67/562731767.db2.gz	QJNOVRGZRHBELX-UCGGBYDDSA-N	0	0	661.670	1.965	1	10		KDCFRN
COC(=O)[C@@H](NCC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CN[C@H](C(=O)OC)C(C)C)cccc1C2=O)C(C)C	ZINC000073257531	562736998	/nfs/dbraw/zinc/73/69/98/562736998.db2.gz	HSTLASRKLQIOPK-UIOOFZCWSA-N	0	0	580.638	1.913	1	10		KDCFRN
COC(=O)[C@H](NCC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CN[C@@H](C(=O)OC)C(C)C)cccc1C2=O)C(C)C	ZINC000073257532	562736995	/nfs/dbraw/zinc/73/69/95/562736995.db2.gz	HSTLASRKLQIOPK-CLJLJLNGSA-N	0	0	580.638	1.913	1	10		KDCFRN
COC(=O)[C@@H]1CCCN1CC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CN3CCC[C@H]3C(=O)OC)cccc1C2=O	ZINC000073276441	562737327	/nfs/dbraw/zinc/73/73/27/562737327.db2.gz	DGJFVHMNCTVJJL-VXKWHMMOSA-N	0	0	576.606	1.614	1	10		KDCFRN
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCNC(=O)COc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(=O)C2=O	ZINC000084714607	562750987	/nfs/dbraw/zinc/75/09/87/562750987.db2.gz	RDBGOPDIMUUTST-POWSXZFQSA-N	0	0	716.766	1.653	1	10		KDCFRN
CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)OCCOCCOCCO)cc1C2=O	ZINC000084758725	562752703	/nfs/dbraw/zinc/75/27/03/562752703.db2.gz	IEBRKSPTBGTTLK-UHFFFAOYSA-N	0	0	500.456	1.495	1	10		KDCFRN
COC(=O)[C@]1(OC)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](C(=O)O/C=C\c2ccc(O)c(O)c2)C1	ZINC000085530169	291710964	/nfs/dbraw/zinc/71/09/64/291710964.db2.gz	XUFGRAOMRCKBEM-JFFNYYMKSA-N	0	0	544.509	1.977	1	10	biogenic,in-vitro	KDCFRN
COC(=O)[C@]1(OC)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](C(=O)O/C=C/c2ccc(O)c(O)c2)C1	ZINC000085530170	560073549	/nfs/dbraw/zinc/07/35/49/560073549.db2.gz	XUFGRAOMRCKBEM-ZLMLBYFISA-N	0	0	544.509	1.977	1	10	biogenic,in-vitro	KDCFRN
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)C(=O)c1cc(CC3(c4ccc(N)nc4)CCCC3)cc(O)c1C2=O	ZINC000085568989	565144510	/nfs/dbraw/zinc/14/45/10/565144510.db2.gz	YZLYWJXBMPWEHN-SVRKAYTQSA-N	0	0	606.628	1.387	1	10	biogenic,in-vitro	KDCFRN
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)C(=O)c1cc(CC3(c4ccc(N)nc4)CCCCC3)cc(O)c1C2=O	ZINC000085568993	291715622	/nfs/dbraw/zinc/71/56/22/291715622.db2.gz	VIBOMSMYDCFUEL-XFXFFQFUSA-N	0	0	620.655	1.777	1	10	biogenic,in-vitro	KDCFRN
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)C(=O)c1cc(CCc3ccccc3)cc(O)c1C2=O	ZINC000085569014	560070098	/nfs/dbraw/zinc/07/00/98/560070098.db2.gz	MMFJVHDFNKCUSU-IVNHFIQVSA-N	0	0	536.533	1.140	1	10	biogenic,in-vitro	KDCFRN
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)C(=O)c1cc(C3CCCCC3)cc(O)c1C2=O	ZINC000085569015	291715203	/nfs/dbraw/zinc/71/52/03/291715203.db2.gz	ONYGAPDZRKVGLJ-JUQDJKQWSA-N	0	0	514.527	1.403	1	10	biogenic,in-vitro	KDCFRN
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)C(=O)c1cc(C3CCCC3)cc(O)c1C2=O	ZINC000085569018	291715201	/nfs/dbraw/zinc/71/52/01/291715201.db2.gz	IYIVUTATZKPWRC-RSUBKUIFSA-N	0	0	500.500	1.013	1	10	biogenic,in-vitro	KDCFRN
CC1C=C2C(=O)c3cccc(O[C@@H]4O[C@@]5(CO)C=C[C@H](Cc6ccnc(N)c6)[C@@](O)([C@H]4O)[C@@H]5O)c3C(=O)C2=C(O)C1	ZINC000085592422	291695417	/nfs/dbraw/zinc/69/54/17/291695417.db2.gz	JNSRJRRSZDDWNB-GMQLXZRMSA-N	0	0	562.575	1.025	1	10	biogenic,in-vitro	KDCFRN
O=C1c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)C2=C(O)CC(CC3CCCCC3)C=C12	ZINC000085592438	560065863	/nfs/dbraw/zinc/06/58/63/560065863.db2.gz	LGMYKQOLJUGVNN-QYDISBNOSA-N	0	0	500.544	1.829	1	10	biogenic,in-vitro	KDCFRN
CNCNc1cc(CC/C(C)=C(\CO)C[C@@]23O[C@]2(C(=O)OCCO)C(=O)c2ccccc2C3=O)ccn1	ZINC000085592657	560065618	/nfs/dbraw/zinc/06/56/18/560065618.db2.gz	QXRGUIACCSSTAS-PAFZXYDCSA-N	0	0	509.559	1.424	1	10	biogenic,in-vitro	KDCFRN
O=C1c2ccccc2C(=O)c2c(O)c3c(cc21)[C@H](c1ccccc1)CCOC[C@@H]1O[C@H](O3)[C@@H](O)[C@H](O)[C@H]1O	ZINC000085593149	560065410	/nfs/dbraw/zinc/06/54/10/560065410.db2.gz	ZVWGYALFXZAQMM-SZOXWNNESA-N	0	0	518.518	1.906	1	10	biogenic,in-vitro	KDCFRN
O=C1c2ccccc2C(=O)c2c(O)c(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc(CCc3ccccc3)c21	ZINC000085593182	560065366	/nfs/dbraw/zinc/06/53/66/560065366.db2.gz	URROPCAHEBXDFB-DIUMKHGGSA-N	0	0	506.507	1.132	1	10	biogenic,in-vitro	KDCFRN
CCCCCc1c(O[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2O)c(C)c(O)c2c1C(=O)c1cc(OC(C)=O)cc(CO)c1C2=O	ZINC000085593464	560065179	/nfs/dbraw/zinc/06/51/79/560065179.db2.gz	KHPAIAZUBQMPRF-KXFMNKHMSA-N	0	0	558.580	1.833	1	10	biogenic,in-vitro	KDCFRN
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)c(C3CCCCC3)c(O)c1C2=O	ZINC000085593466	560065400	/nfs/dbraw/zinc/06/54/00/560065400.db2.gz	DZPVMQQNKWPLDA-YBLVTGAQSA-N	0	0	556.564	1.839	1	10	biogenic,in-vitro	KDCFRN
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)c(C3CCCC3)c(O)c1C2=O	ZINC000085593476	560065389	/nfs/dbraw/zinc/06/53/89/560065389.db2.gz	TTWQBXBCBBVPTI-MZZQEWAYSA-N	0	0	542.537	1.449	1	10	biogenic,in-vitro	KDCFRN
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)c(CCCc3ccccc3)c(O)c1C2=O	ZINC000085593490	560065421	/nfs/dbraw/zinc/06/54/21/560065421.db2.gz	GBWOJJCHNJFELU-CSTXGRMQSA-N	0	0	592.597	1.967	1	10	biogenic,in-vitro	KDCFRN
CC(=O)Oc1ccc2c(c1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)c(Cc3cccc(CO)c3)c(O)c1C2=O	ZINC000085593492	291692060	/nfs/dbraw/zinc/69/20/60/291692060.db2.gz	FXDZFRFOWYSGNW-ZKPPMWAVSA-N	0	0	564.543	1.382	1	10	biogenic,in-vitro	KDCFRN
CC(=O)Oc1ccc2c(c1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)c(C3CCCC3)c(O)c1C2=O	ZINC000085593511	560065026	/nfs/dbraw/zinc/06/50/26/560065026.db2.gz	KGUCOODVBDYQTD-FMVFFRGTSA-N	0	0	512.511	1.957	1	10	biogenic,in-vitro	KDCFRN
CC(=O)OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](OC(C)=O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H]1OC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000095540644	562755867	/nfs/dbraw/zinc/75/58/67/562755867.db2.gz	XZKKILCLQIINLY-MXJIFSESSA-N	0	0	834.777	1.838	1	10		KDCFRN
CO[C@H]1[C@H](O[C@H]2C[C@](C)(O)Cc3cc4c(c(O)c32)C(=O)c2c(O)cc3c(c2C4=O)O[C@@H]2O[C@@]3(C)[C@H](O)[C@@H](N(C)C)[C@@H]2O)O[C@@H](C)[C@H](OC)[C@@]1(C)OC	ZINC000095542889	562756904	/nfs/dbraw/zinc/75/69/04/562756904.db2.gz	NNEGMXMRXKXKMQ-ZEOBNFASSA-N	0	0	729.776	1.424	1	10		KDCFRN
Nc1nc2c(cnn2CC[NH+]2CCN(c3ccc(OCC(=O)[O-])cc3)CC2)c2nc(-c3ccco3)nn21	ZINC000095582929	562772784	/nfs/dbraw/zinc/77/27/84/562772784.db2.gz	WEQZSZADIFBDAX-UHFFFAOYSA-N	0	0	503.523	1.602	1	10		KDCFRN
COc1cccc2c1C(=O)c1c(OC)cc(C(=O)N[C@H]3[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)cc1C2=O	ZINC000095588143	562774541	/nfs/dbraw/zinc/77/45/41/562774541.db2.gz	NIOVTLYQCQGMEK-ZOBZFZOOSA-N	0	0	641.582	1.292	1	10		KDCFRN
COc1cccc2c1C(=O)c1c(OC)cc(C(=O)N[C@H]3[C@@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)cc1C2=O	ZINC000095588144	562774532	/nfs/dbraw/zinc/77/45/32/562774532.db2.gz	NIOVTLYQCQGMEK-QTQBGKHCSA-N	0	0	641.582	1.292	1	10		KDCFRN
O=C(Cc1ccc(O)c(O)c1)NCCCOCCOCCOCCCNC(=O)Cc1ccc(O)c(O)c1	ZINC000095597997	562777335	/nfs/dbraw/zinc/77/73/35/562777335.db2.gz	DIYQFNVBYVJQKM-UHFFFAOYSA-N	0	0	520.579	1.357	1	10		KDCFRN
CC(=O)O[C@@H]1[C@@H](COC(=O)/C=C/c2ccc(O)c(O)c2)O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](OC(C)=O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000095614994	562786971	/nfs/dbraw/zinc/78/69/71/562786971.db2.gz	UWRBLCYSBSBEEZ-MXJIFSESSA-N	0	0	834.777	1.838	1	10		KDCFRN
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3OC)cccc21	ZINC000095754024	562788862	/nfs/dbraw/zinc/78/88/62/562788862.db2.gz	YIBDRCQJMLYBPV-LVVXBAQPSA-N	0	0	612.661	1.696	1	10		KDCFRN
COC/C=C\c1ccc(O[C@H]2O[C@H](COC(=O)/C=C\c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1	ZINC000095910810	291710968	/nfs/dbraw/zinc/71/09/68/291710968.db2.gz	OKLGSQGMEBBJAW-JUDLFENSSA-N	0	0	518.515	1.209	1	10	biogenic,in-vitro	KDCFRN
CC(=O)O[C@H]1[C@@H](O)[C@H](Oc2cc(O)c3c(c2)C(=O)c2cc(C)cc(O)c2C3=O)O[C@@H](C)[C@@H]1OC(C)=O	ZINC000096900511	562796924	/nfs/dbraw/zinc/79/69/24/562796924.db2.gz	RHAXIGGQKXCFMB-ANXXBCORSA-N	0	0	500.456	1.530	1	10		KDCFRN
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](O)[C@H](C)O[C@H]1O[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](Oc2cc(O)c3c(c2)C(=O)c2cc(C)cc(O)c2C3=O)O[C@H]1C	ZINC000096900514	562796933	/nfs/dbraw/zinc/79/69/33/562796933.db2.gz	ZVAOYJUIXGHAOO-JRTOFOEPSA-N	0	0	730.672	1.523	1	10		KDCFRN
CC(=O)O[C@@H]1[C@@H](O)[C@@H](OC(C)=O)[C@H](Oc2cc(O)c3c(c2)C(=O)c2cc(C)cc(O)c2C3=O)O[C@H]1C	ZINC000096901098	562797024	/nfs/dbraw/zinc/79/70/24/562797024.db2.gz	JSCVXZMYBMRSDK-KDGWTNKSSA-N	0	0	500.456	1.530	1	10		KDCFRN
O=C1c2ccccc2C(=O)c2c(OCCOCCOCCO)ccc(OCCOCCOCCO)c21	ZINC000096938912	562804602	/nfs/dbraw/zinc/80/46/02/562804602.db2.gz	FNNFUFQSMUWHTF-UHFFFAOYSA-N	0	0	504.532	1.271	1	10		KDCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H]([NH+](C)C)[C@@H](O)[C@@H](C)O1	ZINC000100374062	562806918	/nfs/dbraw/zinc/80/69/18/562806918.db2.gz	MNZPHZWBCGOICS-NIODZPTBSA-N	0	0	555.580	1.632	1	10		KDCFRN
CC[C@H](C)OC(=O)[C@H](C)N[P@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O)Oc1ccccc1	ZINC000101074339	562809009	/nfs/dbraw/zinc/80/90/09/562809009.db2.gz	GZZRUTLALPTEEH-ZCPLFDQBSA-N	0	0	568.480	1.317	1	10		KDCFRN
CCCCOC(=O)[C@H](C)N[P@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O)Oc1ccccc1	ZINC000101081039	562809032	/nfs/dbraw/zinc/80/90/32/562809032.db2.gz	FUNZOJSVMPRJMS-HBMLRVDPSA-N	0	0	568.480	1.319	1	10		KDCFRN
C[C@H](N[P@@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1	ZINC000102171647	562812846	/nfs/dbraw/zinc/81/28/46/562812846.db2.gz	KVFSNZSJTZEAOJ-QRJFTDAYSA-N	0	0	602.497	1.719	1	10		KDCFRN
O=C1C(O)=C(NCCCCCCS(=O)(=O)N(CCCN2CCOCC2)Cc2cccnc2)[C@@H]1Nc1ccncc1	ZINC000103246056	562819812	/nfs/dbraw/zinc/81/98/12/562819812.db2.gz	HRFQLDLMQNMNDE-FTJBHMTQSA-N	0	0	572.732	1.482	1	10		KDCFRN
O=C1C(O)=C(NCCCCCCS(=O)(=O)N(CCCN2CCOCC2)Cc2cccnc2)[C@@H]1Nc1ccncc1	ZINC000103246060	562819822	/nfs/dbraw/zinc/81/98/22/562819822.db2.gz	HRFQLDLMQNMNDE-UIOOFZCWSA-N	0	0	572.732	1.482	1	10		KDCFRN
O=C(CCCCCNC1=C(O)C(=O)[C@H]1Nc1ccncc1)N(Cc1ccccc1)OCCN1CCOCC1	ZINC000103246074	562819772	/nfs/dbraw/zinc/81/97/72/562819772.db2.gz	YYTKYXPQCPHWLH-FTJBHMTQSA-N	0	0	523.634	1.825	1	10		KDCFRN
O=C(CCCCCNC1=C(O)C(=O)[C@H]1Nc1ccncc1)N(Cc1ccccc1)OCCN1CCOCC1	ZINC000103246077	562819800	/nfs/dbraw/zinc/81/98/00/562819800.db2.gz	YYTKYXPQCPHWLH-UIOOFZCWSA-N	0	0	523.634	1.825	1	10		KDCFRN
O=C(CCCCCNC1=C(O)C(=O)[C@@H]1Nc1ccncc1)N(Cc1ccccc1)OCCN1CCOCC1	ZINC000103246079	562819809	/nfs/dbraw/zinc/81/98/09/562819809.db2.gz	YYTKYXPQCPHWLH-CLJLJLNGSA-N	0	0	523.634	1.825	1	10		KDCFRN
O=C(CCCCCNC1=C(O)C(=O)[C@@H]1Nc1ccncc1)N(Cc1ccccc1)OCCN1CCOCC1	ZINC000103246081	562819838	/nfs/dbraw/zinc/81/98/38/562819838.db2.gz	YYTKYXPQCPHWLH-IZZNHLLZSA-N	0	0	523.634	1.825	1	10		KDCFRN
O=C1C(O)=C(NCCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCCCC2)[C@H]1Nc1ccncc1	ZINC000103246096	562819860	/nfs/dbraw/zinc/81/98/60/562819860.db2.gz	GHPFJFIFYMTOFD-LOSJGSFVSA-N	0	0	565.737	1.761	1	10		KDCFRN
O=C1C(O)=C(NCCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCCCC2)[C@@H]1Nc1ccncc1	ZINC000103246098	562819870	/nfs/dbraw/zinc/81/98/70/562819870.db2.gz	GHPFJFIFYMTOFD-DQEYMECFSA-N	0	0	565.737	1.761	1	10		KDCFRN
O=C1C(O)=C(NCCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCCCC2)[C@H]1Nc1ccncc1	ZINC000103246101	562819888	/nfs/dbraw/zinc/81/98/88/562819888.db2.gz	GHPFJFIFYMTOFD-JWQCQUIFSA-N	0	0	565.737	1.761	1	10		KDCFRN
O=C1C(O)=C(NCCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCCCC2)[C@@H]1Nc1ccncc1	ZINC000103246104	562819865	/nfs/dbraw/zinc/81/98/65/562819865.db2.gz	GHPFJFIFYMTOFD-RPBOFIJWSA-N	0	0	565.737	1.761	1	10		KDCFRN
O=C1C(O)=C(NCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCCCC2)[C@H]1Nc1ccncc1	ZINC000103246117	562819886	/nfs/dbraw/zinc/81/98/86/562819886.db2.gz	ZFWFTVFJAMSSAE-BJKOFHAPSA-N	0	0	551.710	1.371	1	10		KDCFRN
O=C1C(O)=C(NCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCCCC2)[C@@H]1Nc1ccncc1	ZINC000103246120	562819854	/nfs/dbraw/zinc/81/98/54/562819854.db2.gz	ZFWFTVFJAMSSAE-ZEQRLZLVSA-N	0	0	551.710	1.371	1	10		KDCFRN
O=C1C(O)=C(NCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCCCC2)[C@H]1Nc1ccncc1	ZINC000103246122	562819890	/nfs/dbraw/zinc/81/98/90/562819890.db2.gz	ZFWFTVFJAMSSAE-DNQXCXABSA-N	0	0	551.710	1.371	1	10		KDCFRN
O=C1C(O)=C(NCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCCCC2)[C@@H]1Nc1ccncc1	ZINC000103246124	562819884	/nfs/dbraw/zinc/81/98/84/562819884.db2.gz	ZFWFTVFJAMSSAE-RPWUZVMVSA-N	0	0	551.710	1.371	1	10		KDCFRN
O=C1C(O)=C(NCCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCCC2)[C@H]1Nc1ccncc1	ZINC000103246127	562819882	/nfs/dbraw/zinc/81/98/82/562819882.db2.gz	WFQHGVIGSDUMJI-BJKOFHAPSA-N	0	0	551.710	1.371	1	10		KDCFRN
O=C1C(O)=C(NCCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCCC2)[C@@H]1Nc1ccncc1	ZINC000103246129	562819880	/nfs/dbraw/zinc/81/98/80/562819880.db2.gz	WFQHGVIGSDUMJI-ZEQRLZLVSA-N	0	0	551.710	1.371	1	10		KDCFRN
O=C1C(O)=C(NCCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCCC2)[C@H]1Nc1ccncc1	ZINC000103246131	562819852	/nfs/dbraw/zinc/81/98/52/562819852.db2.gz	WFQHGVIGSDUMJI-DNQXCXABSA-N	0	0	551.710	1.371	1	10		KDCFRN
O=C1C(O)=C(NCCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCCC2)[C@@H]1Nc1ccncc1	ZINC000103246132	562819848	/nfs/dbraw/zinc/81/98/48/562819848.db2.gz	WFQHGVIGSDUMJI-RPWUZVMVSA-N	0	0	551.710	1.371	1	10		KDCFRN
COC(=O)[C@]12C[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H](O1)[C@@H](COC(=O)/C=C/c1ccc(O)c(O)c1)O2	ZINC000103267981	562822565	/nfs/dbraw/zinc/82/25/65/562822565.db2.gz	UPEXGVHZLLUVIL-DRFCQJSBSA-N	0	0	558.492	1.109	1	10		KDCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H](N2CCOCC2)[C@@H](O)[C@H](C)O1	ZINC000105391299	562825201	/nfs/dbraw/zinc/82/52/01/562825201.db2.gz	OYIWRKOSDGPKFD-XVHPCQIXSA-N	0	0	597.617	1.402	1	10		KDCFRN
CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](N=[N+]=[N-])[C@@H]1O	ZINC000105526238	562825443	/nfs/dbraw/zinc/82/54/43/562825443.db2.gz	QKKHGQTYOGPULO-HNKHHVNMSA-N	0	0	577.484	1.725	1	10		KDCFRN
CN1CCN(C(=O)c2cccc(N3CCc4c3nc(N3CCOCC3)nc4-c3cnc(N)nc3)c2)CC1	ZINC000118758829	562830543	/nfs/dbraw/zinc/83/05/43/562830543.db2.gz	WLFNJMGPVOWFPV-UHFFFAOYSA-N	0	0	501.595	1.434	1	10		KDCFRN
CN1CCN(C(=O)c2ccc(N3CCc4c3nc(N3CCOCC3)nc4-c3cnc(N)nc3)cc2)CC1	ZINC000118760761	562830507	/nfs/dbraw/zinc/83/05/07/562830507.db2.gz	AXRPBWXWDKFKQI-UHFFFAOYSA-N	0	0	501.595	1.434	1	10		KDCFRN
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccc(C(=O)N3CCOCC3)cc2F)cn1	ZINC000118765535	562830539	/nfs/dbraw/zinc/83/05/39/562830539.db2.gz	KQFMAOYLUCFTTP-UHFFFAOYSA-N	0	0	506.542	1.658	1	10		KDCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H](O)[C@@H](O)[C@H](C)O1	ZINC000136717926	562831235	/nfs/dbraw/zinc/83/12/35/562831235.db2.gz	QAFPIRVGDWNCDV-MJBWQQDNSA-N	0	0	528.510	1.063	1	10		KDCFRN
CC(=O)N1CCN(Cc2ccc(N3CCC(Oc4nc(-c5ccncn5)cc(=O)n4C)CC3)cc2)CC1	ZINC000147539508	562839407	/nfs/dbraw/zinc/83/94/07/562839407.db2.gz	SIIBOGOIHIGFOP-UHFFFAOYSA-N	0	0	503.607	1.949	1	10		KDCFRN
COc1cc([C@@H]2c3cc(O)c(O)cc3[C@@H](O[C@@H]3O[C@@H]4CO[C@@H](C)O[C@H]4[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@@H]32)cc(OC)c1O	ZINC000150591365	562846257	/nfs/dbraw/zinc/84/62/57/562846257.db2.gz	YAYINQXAXGPCTQ-FMEAWWTOSA-N	0	0	576.551	1.021	1	10		KDCFRN
C[C@H](NP(=O)(N[C@@H](C)C(=O)OCc1ccccc1)OC[C@@]1([N-][N+]#N)O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O)C(=O)OCc1ccccc1	ZINC000150609677	562848285	/nfs/dbraw/zinc/84/82/85/562848285.db2.gz	YTTYNRLWOSMWEC-VAQISTLHSA-N	0	0	686.619	1.650	1	10		KDCFRN
C[C@H](NP(=O)(N[C@@H](C)C(=O)OCC(C)(C)C)OC[C@@]1([N-][N+]#N)O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O)C(=O)OCC(C)(C)C	ZINC000150609682	562848287	/nfs/dbraw/zinc/84/82/87/562848287.db2.gz	VAXWJMYJWABBLA-DIUSAWSMSA-N	0	0	646.639	1.342	1	10		KDCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@H]([NH2+]CCCCC(OC(C)=O)OC(C)=O)[C@@H](O)[C@@H](C)O1	ZINC000169300444	562852820	/nfs/dbraw/zinc/85/28/20/562852820.db2.gz	RBQJFBGSQDDJKT-GPASQYDESA-N	0	0	729.732	1.255	1	10		KDCFRN
O=C1C(O)=C(NCCCCCCS(=O)(=O)N(CCCN2CCOCC2)Cc2cccnc2)[C@H]1Nc1ccncc1	ZINC000169311303	562855063	/nfs/dbraw/zinc/85/50/63/562855063.db2.gz	HRFQLDLMQNMNDE-IZZNHLLZSA-N	0	0	572.732	1.482	1	10		KDCFRN
O=C1C(O)=C(NCCCCCCS(=O)(=O)N(CCCN2CCOCC2)Cc2cccnc2)[C@H]1Nc1ccncc1	ZINC000169311305	562855069	/nfs/dbraw/zinc/85/50/69/562855069.db2.gz	HRFQLDLMQNMNDE-CLJLJLNGSA-N	0	0	572.732	1.482	1	10		KDCFRN
CC[C@@]1(O)C[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O	ZINC000169324155	562857282	/nfs/dbraw/zinc/85/72/82/562857282.db2.gz	QQSSCTZKIZFPMB-NEZKUREHSA-N	0	0	758.682	1.521	1	10		KDCFRN
CC[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O	ZINC000169324165	562857304	/nfs/dbraw/zinc/85/73/04/562857304.db2.gz	ZYCZYXRENBOYNZ-IVOLREKLSA-N	0	0	700.646	1.978	1	10		KDCFRN
CC[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O	ZINC000169324168	562857307	/nfs/dbraw/zinc/85/73/07/562857307.db2.gz	ZYCZYXRENBOYNZ-TYYVUMARSA-N	0	0	700.646	1.978	1	10		KDCFRN
CC[C@@]1(O)C[C@H](O[C@@H]2OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O	ZINC000169324172	562857300	/nfs/dbraw/zinc/85/73/00/562857300.db2.gz	YBFCBAAUFCCODU-MYIBPIMFSA-N	0	0	686.619	1.589	1	10		KDCFRN
CC[C@@]1(O)C[C@H](O[C@@H]2OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O	ZINC000169324174	562857328	/nfs/dbraw/zinc/85/73/28/562857328.db2.gz	YBFCBAAUFCCODU-RDOSTRCASA-N	0	0	686.619	1.589	1	10		KDCFRN
CC[C@@]1(O)C[C@H](O[C@@H]2OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O	ZINC000169324179	562857303	/nfs/dbraw/zinc/85/73/03/562857303.db2.gz	YBFCBAAUFCCODU-SEIKJYKZSA-N	0	0	686.619	1.589	1	10		KDCFRN
CC[C@@]1(O)C[C@H](O[C@@H]2OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O	ZINC000169324182	562857325	/nfs/dbraw/zinc/85/73/25/562857325.db2.gz	YBFCBAAUFCCODU-VQAAOHHQSA-N	0	0	686.619	1.589	1	10		KDCFRN
CC[C@@]1(O)C[C@H](O[C@@H]2OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O	ZINC000169324185	562857319	/nfs/dbraw/zinc/85/73/19/562857319.db2.gz	YBFCBAAUFCCODU-CUHBHOQISA-N	0	0	686.619	1.589	1	10		KDCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H](O)[C@H](O)[C@@H](C)O1	ZINC000169337506	562860062	/nfs/dbraw/zinc/86/00/62/562860062.db2.gz	QAFPIRVGDWNCDV-XSVJFENOSA-N	0	0	528.510	1.063	1	10		KDCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](O)[C@H](O)[C@@H](C)O1	ZINC000169337508	562860073	/nfs/dbraw/zinc/86/00/73/562860073.db2.gz	QAFPIRVGDWNCDV-WWEKYXKCSA-N	0	0	528.510	1.063	1	10		KDCFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccc(OC)cc3[C@@]23C[C@H](C(=O)OC)N(C(=O)c2cccs2)C3=N1	ZINC000195369129	562871707	/nfs/dbraw/zinc/87/17/07/562871707.db2.gz	HWPKCTOCMXHMTP-AUYISRGKSA-N	0	0	539.566	1.913	1	10		KDCFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccc(OC)cc3[C@]23C[C@H](C(=O)OC)N(C(=O)c2cccs2)C3=N1	ZINC000195369143	562871709	/nfs/dbraw/zinc/87/17/09/562871709.db2.gz	HWPKCTOCMXHMTP-MKVPFSFESA-N	0	0	539.566	1.913	1	10		KDCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H](O)[C@@H](O)[C@@H](C)O1	ZINC000195431676	562871855	/nfs/dbraw/zinc/87/18/55/562871855.db2.gz	QAFPIRVGDWNCDV-YLNAWMKSSA-N	0	0	528.510	1.063	1	10		KDCFRN
CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2F)C1)C(=O)c1ccccc1C3=O	ZINC000299848864	562890344	/nfs/dbraw/zinc/89/03/44/562890344.db2.gz	NGJXJNTVSNDJSI-COMWGNNUSA-N	0	0	516.474	1.002	1	10		KDCFRN
CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@H]2F)C1)C(=O)c1ccccc1C3=O	ZINC000299848868	562890326	/nfs/dbraw/zinc/89/03/26/562890326.db2.gz	NGJXJNTVSNDJSI-FTJSSKRRSA-N	0	0	516.474	1.002	1	10		KDCFRN
CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@@H]2F)C1)C(=O)c1ccccc1C3=O	ZINC000299848871	562890334	/nfs/dbraw/zinc/89/03/34/562890334.db2.gz	NGJXJNTVSNDJSI-WFVJOYOKSA-N	0	0	516.474	1.002	1	10		KDCFRN
CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(N2CCN(c4ccc(OCc5ccccc5)cc4)CC2)nc3N)[C@H](O)[C@@H]1O	ZINC000299855580	562891711	/nfs/dbraw/zinc/89/17/11/562891711.db2.gz	BMVQYTBZDSZAEL-NLJXWPIHSA-N	0	0	574.642	1.069	1	10		KDCFRN
COc1c(=O)n(C)c(Cc2ccccc2)nc1C(=O)N1CCN(CCCNC(=O)c2cc(O)c(O)c(O)c2)CC1	ZINC000299857196	562892150	/nfs/dbraw/zinc/89/21/50/562892150.db2.gz	MHJFAWGOKJQHAE-UHFFFAOYSA-N	0	0	551.600	1.074	1	10		KDCFRN
CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(N2CCN(c4ccc(OCCCc5ccccc5)cc4)CC2)nc3N)[C@H](O)[C@@H]1O	ZINC000299858076	562892393	/nfs/dbraw/zinc/89/23/93/562892393.db2.gz	GDLSEFIWYFWPFI-YRIIQKNPSA-N	0	0	602.696	1.502	1	10		KDCFRN
COc1c(=O)n(C)c(Cc2ccc(O)cc2)nc1C(=O)N1CCN(CCCNC(=O)c2ccc(O)c(O)c2)CC1	ZINC000299858077	562892384	/nfs/dbraw/zinc/89/23/84/562892384.db2.gz	QAIANVFGMFWSMR-UHFFFAOYSA-N	0	0	551.600	1.074	1	10		KDCFRN
CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(N2CCN(c4ccc(OCc5ccc(F)cc5)cc4)CC2)nc3N)[C@H](O)[C@@H]1O	ZINC000299858091	562892398	/nfs/dbraw/zinc/89/23/98/562892398.db2.gz	GESPVKNCXDLKEW-NLJXWPIHSA-N	0	0	592.632	1.209	1	10		KDCFRN
COc1c(=O)n(C)c(Cc2ccc(F)cc2)nc1C(=O)N1CCN(CCCNC(=O)c2cc(O)c(O)c(O)c2)CC1	ZINC000299859311	562892698	/nfs/dbraw/zinc/89/26/98/562892698.db2.gz	WYHWBFZHLPBORA-UHFFFAOYSA-N	0	0	569.590	1.214	1	10		KDCFRN
COc1c(=O)n(C)c(Cc2ccc(Cl)cc2)nc1C(=O)N1CCN(CCCNC(=O)c2cc(O)c(O)c(O)c2)CC1	ZINC000299860108	562892918	/nfs/dbraw/zinc/89/29/18/562892918.db2.gz	ZSYVHVMKDJSKFU-UHFFFAOYSA-N	0	0	586.045	1.728	1	10		KDCFRN
CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(N2CCN(c4ccc(OCc5ccc(Cl)cc5)cc4)CC2)nc3N)[C@H](O)[C@@H]1O	ZINC000299862258	562893549	/nfs/dbraw/zinc/89/35/49/562893549.db2.gz	MUNVDVWWEQGHID-NLJXWPIHSA-N	0	0	609.087	1.723	1	10		KDCFRN
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Cc1cn([C@H]2C[C@H](n3cc(Cn4c5c(c6ccccc6c4=O)C(=O)c4ccccc4-5)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000653866726	562916241	/nfs/dbraw/zinc/91/62/41/562916241.db2.gz	PFKMQVKHGGUELK-YTFSRNRJSA-N	0	0	552.547	1.945	1	10		KDCFRN
Cc1cn([C@H]2C[C@H](n3cc(COC(=O)Cn4c5c(c6ccccc6c4=O)C(=O)c4ccccc4-5)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000653866787	562916253	/nfs/dbraw/zinc/91/62/53/562916253.db2.gz	VNMPSKPQNQRCKT-RBZQAINGSA-N	0	0	610.583	1.640	1	10		KDCFRN
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COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccc(OC)cc3[C@@]23C[C@@H](C(=O)OC)N(C(=O)CC(C)C)C3=N1	ZINC000013816900	561732100	/nfs/dbraw/zinc/73/21/00/561732100.db2.gz	SDYBQOYRYBXADP-CWVVSJDFSA-N	0	0	513.547	1.584	3	10		KDCFRN
CCOC(=O)N1C2=NC(C(=O)OC)=C(C(=O)OC)[C@@H]3N(C)c4ccc(OC)cc4[C@]23C[C@H]1C(=O)OC	ZINC000013816916	561732093	/nfs/dbraw/zinc/73/20/93/561732093.db2.gz	QOZVYXKHIKLTFY-RGUAHJAXSA-N	0	0	501.492	1.167	3	10		KDCFRN
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COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccc(OC)cc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C3=N1	ZINC000017544633	561755383	/nfs/dbraw/zinc/75/53/83/561755383.db2.gz	CJBNZEXKDLDEKS-JNMBUGSCSA-N	0	0	614.589	1.308	3	10		KDCFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccc(OC)cc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc(OC)cc2)C3=N1	ZINC000017544636	561755377	/nfs/dbraw/zinc/75/53/77/561755377.db2.gz	BHMGEAMCQFZBEQ-GTFGCAHESA-N	0	0	599.618	1.408	3	10		KDCFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccc(OC)cc3[C@@]23C[C@@H](C(=O)OC)N(C(=O)COCc2ccccc2)C3=N1	ZINC000017654336	561757305	/nfs/dbraw/zinc/75/73/05/561757305.db2.gz	AJIOYNCIOKUBQF-YJHYVVDTSA-N	0	0	577.590	1.754	3	10		KDCFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccc(OC)cc3[C@@]23C[C@@H](C(=O)OC)N(C(=O)c2ccco2)C3=N1	ZINC000017654375	561757421	/nfs/dbraw/zinc/75/74/21/561757421.db2.gz	MWGKMTXTNKWECH-DYAGGBNNSA-N	0	0	523.498	1.444	3	10		KDCFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccc(OC)cc3[C@@]23C[C@@H](C(=O)OC)N(C(=O)c2cccs2)C3=N1	ZINC000017654382	561757431	/nfs/dbraw/zinc/75/74/31/561757431.db2.gz	HWPKCTOCMXHMTP-DYAGGBNNSA-N	0	0	539.566	1.913	3	10		KDCFRN
CN(C)c1ccc(CNC(=O)CC[C@H]2O[C@@H](n3cnc4c3ncnc4NC(=O)c3ccccc3)[C@H](O)[C@@H]2O)cc1	ZINC000169302916	562853127	/nfs/dbraw/zinc/85/31/27/562853127.db2.gz	VQEZLQAWSADYMS-CYKADTSBSA-N	0	0	545.600	1.860	3	10		KDCFRN
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