smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
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](NC(C)=O)[C@@H](O)[C@@H](C)O1	ZINC000005373617	560201501	/nfs/dbraw/zinc/20/15/01/560201501.db2.gz	IFWQBDPCFWWVSC-KKONFWKMSA-N	0	0	571.579	0.998	1	10	in-vitro	KCCFRN
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](NC(C)=O)[C@@H](O)[C@H](C)O1	ZINC000005373620	560201525	/nfs/dbraw/zinc/20/15/25/560201525.db2.gz	IFWQBDPCFWWVSC-KMJKFBPNSA-N	0	0	571.579	0.998	1	10	in-vitro	KCCFRN
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](NC(C)=O)[C@H](O)[C@@H](C)O1	ZINC000005373621	560201556	/nfs/dbraw/zinc/20/15/56/560201556.db2.gz	IFWQBDPCFWWVSC-WIAUZUGBSA-N	0	0	571.579	0.998	1	10	in-vitro	KCCFRN
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](NC(C)=O)[C@H](O)[C@H](C)O1	ZINC000005373622	560201578	/nfs/dbraw/zinc/20/15/78/560201578.db2.gz	IFWQBDPCFWWVSC-HNKFAFRISA-N	0	0	571.579	0.998	1	10	in-vitro	KCCFRN
CO[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	ZINC000005440132	561695928	/nfs/dbraw/zinc/69/59/28/561695928.db2.gz	LWYJUZBXGAFFLP-KIWNRLSNSA-N	0	0	541.553	0.874	1	10		KCCFRN
COc1cccc2c1C(=N)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](N2CCOCC2)[C@H](O)[C@H](C)O1	ZINC000005518136	561696044	/nfs/dbraw/zinc/69/60/44/561696044.db2.gz	HPZCCJXRTVUZHT-PQUXCGPYSA-N	0	0	612.632	0.560	1	10		KCCFRN
CO[C@@H]1[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2OC)c2c([O-])c3c(cc2C(=O)[C@@]1(C)O)C(=O)c1cccc(O)c1C3=O	ZINC000005553800	560202356	/nfs/dbraw/zinc/20/23/56/560202356.db2.gz	PGCZNTNNZCKKFG-AKGBAJOYSA-N	0	0	544.509	0.375	1	10	in-vitro	KCCFRN
CO[C@@H]1[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@H](O)[C@@H]2OC)c2c([O-])c3c(cc2C(=O)[C@@]1(C)O)C(=O)c1cccc(O)c1C3=O	ZINC000005553804	560202372	/nfs/dbraw/zinc/20/23/72/560202372.db2.gz	PGCZNTNNZCKKFG-JIGNVKNBSA-N	0	0	544.509	0.375	1	10	in-vitro	KCCFRN
CO[C@@H]1[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2OC)c2c([O-])c3c(cc2C(=O)[C@@]1(C)O)C(=O)c1cccc(O)c1C3=O	ZINC000005553807	560202364	/nfs/dbraw/zinc/20/23/64/560202364.db2.gz	PGCZNTNNZCKKFG-SHVPLXCVSA-N	0	0	544.509	0.375	1	10	in-vitro	KCCFRN
CO[C@@H]1[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2OC)c2c([O-])c3c(cc2C(=O)[C@@]1(C)O)C(=O)c1cccc(O)c1C3=O	ZINC000005553809	560202330	/nfs/dbraw/zinc/20/23/30/560202330.db2.gz	PGCZNTNNZCKKFG-PJURQJKPSA-N	0	0	544.509	0.375	1	10	in-vitro	KCCFRN
N=C(N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)NC(CO)(CO)CO)cccc32)cc1	ZINC000005742197	561698162	/nfs/dbraw/zinc/69/81/62/561698162.db2.gz	VRMZLORNOCRNNI-UHFFFAOYSA-N	0	0	538.586	0.749	1	10		KCCFRN
CN(C)[C@@H]1[C@@H](O)[C@]2(C)O[C@@H](Oc3c2cc(O)c2c3C(=O)c3cc4c(c(O)c3C2=O)CC[C@](C)(O)C4)[C@H]1O	ZINC000013548064	561718195	/nfs/dbraw/zinc/71/81/95/561718195.db2.gz	OTDXULFSLVOPKT-PVVPQBEUSA-N	0	0	511.527	0.729	1	10		KCCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H]([NH2+]CC(=O)[O-])[C@@H](O)[C@@H](C)O1	ZINC000026169938	561769802	/nfs/dbraw/zinc/76/98/02/561769802.db2.gz	NAZFOYZZEWXVQS-VRORLZBKSA-N	0	0	585.562	0.744	1	10		KCCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](N2CCOCC2)[C@@H](O)[C@H](C)O1	ZINC000026257685	561775070	/nfs/dbraw/zinc/77/50/70/561775070.db2.gz	SXCIMUIAZXOVIR-YZSPGJHNSA-N	0	0	613.616	0.375	1	10		KCCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N2CCOCC2)[C@@H](O)[C@H](C)O1	ZINC000026257692	561775165	/nfs/dbraw/zinc/77/51/65/561775165.db2.gz	SXCIMUIAZXOVIR-MIJDUPFBSA-N	0	0	613.616	0.375	1	10		KCCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](N2CCOCC2)[C@H](O)[C@H](C)O1	ZINC000026257699	561775179	/nfs/dbraw/zinc/77/51/79/561775179.db2.gz	SXCIMUIAZXOVIR-YZSOQGNMSA-N	0	0	613.616	0.375	1	10		KCCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N2CCOCC2)[C@H](O)[C@H](C)O1	ZINC000026257706	561775146	/nfs/dbraw/zinc/77/51/46/561775146.db2.gz	SXCIMUIAZXOVIR-PUCKCBAPSA-N	0	0	613.616	0.375	1	10		KCCFRN
CCOC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C	ZINC000026478780	561791452	/nfs/dbraw/zinc/79/14/52/561791452.db2.gz	TWVDHNIWLMEMCW-DVWBAYGPSA-N	0	0	534.658	0.588	1	10		KCCFRN
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)Cc2ccc(N)cc2)[C@@H](O)[C@@H](C)O1	ZINC000028019597	561898135	/nfs/dbraw/zinc/89/81/35/561898135.db2.gz	LDMXDOZAFHRBEB-YTTTZTICSA-N	0	0	676.675	0.984	1	10		KCCFRN
CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]C2CCN(c3ccc(Cn4oc(=O)[n-]c4=O)cc3)CC2)ccc1O	ZINC000028109021	561902723	/nfs/dbraw/zinc/90/27/23/561902723.db2.gz	ZUOQKJZGQFTKGQ-NRFANRHFSA-N	0	0	519.580	0.959	1	10		KCCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](N2CCOCC2)[C@@H](O)[C@@H](C)O1	ZINC000028240117	561910344	/nfs/dbraw/zinc/91/03/44/561910344.db2.gz	SXCIMUIAZXOVIR-YFQNEKAMSA-N	0	0	613.616	0.375	1	10		KCCFRN
COc1c(=O)c(=O)c1N[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	ZINC000028388604	561921803	/nfs/dbraw/zinc/92/18/03/561921803.db2.gz	OMDUNQSZHAYGJM-XOAYTGEQSA-N	0	0	637.594	0.787	1	10		KCCFRN
COc1c(=O)c(=O)c1N[C@@H]1C[C@H](O[C@H]2C[C@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(O)cccc2C4=O)O[C@@H](C)[C@@H]1O	ZINC000028388650	561921862	/nfs/dbraw/zinc/92/18/62/561921862.db2.gz	CEEXYCRKSKVLJZ-XUSAIXQXSA-N	0	0	623.567	0.484	1	10		KCCFRN
CC(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	ZINC000028604354	561940702	/nfs/dbraw/zinc/94/07/02/561940702.db2.gz	XYRSJDIQANKAFS-PEJIEJOASA-N	0	0	554.453	0.927	1	10		KCCFRN
COC(=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	ZINC000028635507	561941023	/nfs/dbraw/zinc/94/10/23/561941023.db2.gz	MHGCMULECVPCNF-HGOVGDHOSA-N	0	0	526.399	0.149	1	10		KCCFRN
COC(=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	ZINC000028635510	561940995	/nfs/dbraw/zinc/94/09/95/561940995.db2.gz	MHGCMULECVPCNF-QTDCDDEJSA-N	0	0	526.399	0.149	1	10		KCCFRN
CCOCC[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)OCC	ZINC000028636121	561941208	/nfs/dbraw/zinc/94/12/08/561941208.db2.gz	AALZQZUFZJEXGI-VCVCVMMMSA-N	0	0	598.506	0.945	1	10		KCCFRN
CCOC(=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	ZINC000028636546	561941252	/nfs/dbraw/zinc/94/12/52/561941252.db2.gz	BCLSZCMBASRGDU-OOACDVPFSA-N	0	0	540.426	0.539	1	10		KCCFRN
O=C([O-])C[C@@H](NC(=O)CNC(=O)c1cncc(NC2=[NH+]C[C@H](O)CN2)c1)c1cc(Cl)cc(I)c1O	ZINC000028714297	561954965	/nfs/dbraw/zinc/95/49/65/561954965.db2.gz	NJYANYJRXWBRFZ-MRXNPFEDSA-N	0	0	616.800	0.839	1	10		KCCFRN
Cc1cc(Cl)cc([C@@H](CC(=O)[O-])NC(=O)CNC(=O)c2cc(O)cc(NC3=[NH+]C[C@@H](O)CN3)c2)c1O	ZINC000028714303	561955051	/nfs/dbraw/zinc/95/50/51/561955051.db2.gz	GXRKFNQFQYXRHQ-GOSISDBHSA-N	0	0	519.942	0.854	1	10		KCCFRN
Cc1cc(Cl)cc([C@H](CC(=O)[O-])NC(=O)CNC(=O)c2cc(O)cc(NC3=[NH+]C[C@@H](O)CN3)c2)c1O	ZINC000028714304	561955030	/nfs/dbraw/zinc/95/50/30/561955030.db2.gz	GXRKFNQFQYXRHQ-SFHVURJKSA-N	0	0	519.942	0.854	1	10		KCCFRN
C[C@@H]1O[C@@H](O[C@H]2C[C@](O)(CO)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H](O)[C@@H]1N1CCOCC1	ZINC000028769215	561960743	/nfs/dbraw/zinc/96/07/43/561960743.db2.gz	FTQWUCZUYZLJOS-IFFJLOCWSA-N	0	0	555.580	0.797	1	10		KCCFRN
C[C@H]1O[C@@H](O[C@H]2C[C@](O)(CO)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H](O)[C@@H]1N1CCOCC1	ZINC000028769217	561960734	/nfs/dbraw/zinc/96/07/34/561960734.db2.gz	FTQWUCZUYZLJOS-MFDZUQHNSA-N	0	0	555.580	0.797	1	10		KCCFRN
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1ccc(N)cc1)C(=O)[O-]	ZINC000028893337	561978516	/nfs/dbraw/zinc/97/85/16/561978516.db2.gz	DFYAWCYXKNEWBW-IMNFJDCFSA-N	0	0	568.675	0.103	1	10	in-vivo	KCCFRN
CN1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccc(NC(=O)CN4CCN(C)CC4)cc2C3=O)CC1	ZINC000029222183	562007316	/nfs/dbraw/zinc/00/73/16/562007316.db2.gz	BHRIOFJONXOQQT-UHFFFAOYSA-N	0	0	518.618	0.834	1	10		KCCFRN
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(C)=O)[C@@H](O)[C@@H](C)O1	ZINC000029417261	562023143	/nfs/dbraw/zinc/02/31/43/562023143.db2.gz	WMMDWCWHMHGCSH-VRORLZBKSA-N	0	0	585.562	0.179	1	10		KCCFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccc(OC)cc3[C@@]23C[C@@H](C(=O)OC)N(C(=O)N2CCNC2=O)C3=N1	ZINC000038142216	562063519	/nfs/dbraw/zinc/06/35/19/562063519.db2.gz	GWYMVGMRAKVACW-LCAJTWGOSA-N	0	0	541.517	0.156	1	10		KCCFRN
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)CO1	ZINC000040640456	562078734	/nfs/dbraw/zinc/07/87/34/562078734.db2.gz	VSKLNBMTCNVBDG-AJHZBIATSA-N	0	0	514.483	0.674	1	10		KCCFRN
CN1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2cc(NC(=O)CN4CCN(C)CC4)ccc2C3=O)CC1	ZINC000040953789	562086385	/nfs/dbraw/zinc/08/63/85/562086385.db2.gz	DGBVQMCXQFZYRS-UHFFFAOYSA-N	0	0	518.618	0.834	1	10		KCCFRN
CC[NH2+][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	ZINC000042804449	562088687	/nfs/dbraw/zinc/08/86/87/562088687.db2.gz	DFAZNFSPNVGWMA-FYFSENNYSA-N	0	0	612.632	0.551	1	10		KCCFRN
C[NH2+][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	ZINC000042806961	562089975	/nfs/dbraw/zinc/08/99/75/562089975.db2.gz	RTQMNYVTZWBNEN-YUXIMADCSA-N	0	0	598.605	0.161	1	10		KCCFRN
COc1c(=O)c(=O)c1N[C@@H]1C[C@H](O[C@H]2C[C@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(O)cccc2C4=O)O[C@H](C)[C@@H]1O	ZINC000043463166	562648590	/nfs/dbraw/zinc/64/85/90/562648590.db2.gz	CEEXYCRKSKVLJZ-RINNQFJDSA-N	0	0	623.567	0.484	1	10		KCCFRN
COc1c(=O)c(=O)c1N[C@@H]1C[C@H](O[C@H]2C[C@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(O)cccc2C4=O)O[C@H](C)[C@H]1O	ZINC000043463168	562648606	/nfs/dbraw/zinc/64/86/06/562648606.db2.gz	CEEXYCRKSKVLJZ-BAVHVYOFSA-N	0	0	623.567	0.484	1	10		KCCFRN
COc1c(=O)c(=O)c1N[C@@H]1C[C@H](O[C@H]2C[C@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(O)cccc2C4=O)O[C@@H](C)[C@H]1O	ZINC000043463170	562648618	/nfs/dbraw/zinc/64/86/18/562648618.db2.gz	CEEXYCRKSKVLJZ-JSOUPCHVSA-N	0	0	623.567	0.484	1	10		KCCFRN
CC(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	ZINC000043552770	562649678	/nfs/dbraw/zinc/64/96/78/562649678.db2.gz	XYRSJDIQANKAFS-TWLXVDCQSA-N	0	0	554.453	0.927	1	10		KCCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@@H]([NH3+])[C@H](OS(=O)(=O)[O-])[C@H](C)O1	ZINC000043834323	562650943	/nfs/dbraw/zinc/65/09/43/562650943.db2.gz	DLCSTDOMSIBIQJ-JBBADZSPSA-N	0	0	607.590	0.856	1	10		KCCFRN
CCOC(=O)C(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	ZINC000044069383	562652059	/nfs/dbraw/zinc/65/20/59/562652059.db2.gz	QCIMEFGHZUCRIB-DZFFOAKASA-N	0	0	554.453	0.929	1	10		KCCFRN
CCOC(=O)C(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	ZINC000044069387	562652069	/nfs/dbraw/zinc/65/20/69/562652069.db2.gz	QCIMEFGHZUCRIB-IPUFQEPNSA-N	0	0	554.453	0.929	1	10		KCCFRN
COC(=O)[C@@H]1c2cc3c(c([O-])c2[C@@H]([NH+](C)C)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	ZINC000044281699	562653212	/nfs/dbraw/zinc/65/32/12/562653212.db2.gz	FRYQSQWPTSLYAN-FYFSENNYSA-N	0	0	612.632	0.503	1	10		KCCFRN
COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](OC)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	ZINC000044350791	562654357	/nfs/dbraw/zinc/65/43/57/562654357.db2.gz	HXCSJGHKDZKLKV-RLBMZFTPSA-N	0	0	599.589	0.588	1	10		KCCFRN
CCO[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	ZINC000044351321	562654568	/nfs/dbraw/zinc/65/45/68/562654568.db2.gz	ZWDYSYAACQRAHJ-OEYOBKQZSA-N	0	0	613.616	0.978	1	10		KCCFRN
CCO[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	ZINC000044351652	562654764	/nfs/dbraw/zinc/65/47/64/562654764.db2.gz	ZWDYSYAACQRAHJ-SMKQJKNFSA-N	0	0	613.616	0.978	1	10		KCCFRN
CO[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	ZINC000044404025	562656373	/nfs/dbraw/zinc/65/63/73/562656373.db2.gz	LWYJUZBXGAFFLP-IOOYHDLWSA-N	0	0	541.553	0.874	1	10		KCCFRN
Nc1ccc(CCNc2nc3c(ncn3[C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCCc3ccc(N)cc3)n2)cc1	ZINC000049774643	562678659	/nfs/dbraw/zinc/67/86/59/562678659.db2.gz	UKVUTZCJRYWWKS-DYZUWXGSSA-N	0	0	520.594	0.911	1	10		KCCFRN
Nc1ccc(CCNc2nc3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCCc3ccc(N)cc3)n2)cc1	ZINC000049774645	562678669	/nfs/dbraw/zinc/67/86/69/562678669.db2.gz	UKVUTZCJRYWWKS-PTGPVQHPSA-N	0	0	520.594	0.911	1	10		KCCFRN
COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](OC(C)=O)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	ZINC000049899411	562693069	/nfs/dbraw/zinc/69/30/69/562693069.db2.gz	CKXIRQLWEKYPKB-OEYOBKQZSA-N	0	0	627.599	0.505	1	10		KCCFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccc(OC)cc3[C@]23C[C@@H](C(=O)OC)N(C(=O)N2CCNC2=O)C3=N1	ZINC000066157239	562713871	/nfs/dbraw/zinc/71/38/71/562713871.db2.gz	GWYMVGMRAKVACW-NNSISHGFSA-N	0	0	541.517	0.156	1	10		KCCFRN
COC(=O)[C@H](C)NCC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CN[C@@H](C)C(=O)OC)cccc1C2=O	ZINC000073257534	562737001	/nfs/dbraw/zinc/73/70/01/562737001.db2.gz	HNLKVTLYIJDHIZ-KBPBESRZSA-N	0	0	524.530	0.641	1	10		KCCFRN
COC(=O)CN(C)CC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CN(C)CC(=O)OC)cccc1C2=O	ZINC000073258883	562737185	/nfs/dbraw/zinc/73/71/85/562737185.db2.gz	UABYHINUAQCLKX-UHFFFAOYSA-N	0	0	524.530	0.549	1	10		KCCFRN
COC(=O)[C@@H](C)NCC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CN[C@H](C)C(=O)OC)cccc1C2=O	ZINC000073292725	562737575	/nfs/dbraw/zinc/73/75/75/562737575.db2.gz	HNLKVTLYIJDHIZ-ZIAGYGMSSA-N	0	0	524.530	0.641	1	10		KCCFRN
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(C)=O)[C@H](O)[C@H](C)O1	ZINC000073296845	562737728	/nfs/dbraw/zinc/73/77/28/562737728.db2.gz	WMMDWCWHMHGCSH-OMLYRYIZSA-N	0	0	585.562	0.179	1	10		KCCFRN
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000084336713	562742858	/nfs/dbraw/zinc/74/28/58/562742858.db2.gz	CUTDGCWXWGJYEQ-XQWURTRYSA-N	0	0	594.551	0.609	1	10		KCCFRN
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C=C3C(=O)NC(=S)NC3=O)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000084336764	562742830	/nfs/dbraw/zinc/74/28/30/562742830.db2.gz	CXZHWDCMYKQVDA-XQWURTRYSA-N	0	0	594.551	0.609	1	10		KCCFRN
CC(=O)OC[C@H]1O[C@@H](Oc2ccccc2C=C2C(=O)NC(=S)NC2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000084336779	562742841	/nfs/dbraw/zinc/74/28/41/562742841.db2.gz	NRVHXFRHBXAEJC-XQWURTRYSA-N	0	0	578.552	0.903	1	10		KCCFRN
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000084339030	562742822	/nfs/dbraw/zinc/74/28/22/562742822.db2.gz	OKOPBOCRDQPOGO-UNNUSUAFSA-N	0	0	578.552	0.903	1	10		KCCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)CCC(=O)[O-])C[C@@H]3O[C@H]1C[C@H]([NH3+])[C@H](O)[C@H](C)O1	ZINC000084616738	562744668	/nfs/dbraw/zinc/74/46/68/562744668.db2.gz	JPXVYJIZQVOUMV-COAHAIOVSA-N	0	0	643.598	0.417	1	10		KCCFRN
CC(=O)OC[C@H]1O[C@@H](Oc2cccc(C=C3C(=O)NC(=S)NC3=O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000084868377	562753098	/nfs/dbraw/zinc/75/30/98/562753098.db2.gz	YXUHKCGSTWWBMK-XQWURTRYSA-N	0	0	578.552	0.903	1	10		KCCFRN
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000084868382	562753102	/nfs/dbraw/zinc/75/31/02/562753102.db2.gz	OKOPBOCRDQPOGO-XQWURTRYSA-N	0	0	578.552	0.903	1	10		KCCFRN
CNC(=[NH2+])N[C@H]1CC[C@@H](Cc2ccc(N)nc2)c2cc3c(c([O-])c21)C(=O)c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)cc1C3=O	ZINC000085568903	291657848	/nfs/dbraw/zinc/65/78/48/291657848.db2.gz	NVRDXQGUIPPORG-JNCIEFERSA-N	0	0	663.684	0.237	1	10	biogenic,in-vitro	KCCFRN
CNC(=[NH2+])NCc1c(CC2(c3ccc(N)nc3)CCCC2)cc2c(c1[O-])C(=O)c1c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(OC)cc1C2=O	ZINC000085568910	291657321	/nfs/dbraw/zinc/65/73/21/291657321.db2.gz	YQNQIFIUTWTRJX-UPDQLEFCSA-N	0	0	691.738	0.630	1	10	biogenic,in-vitro	KCCFRN
COc1cc(O[C@@H]2O[C@H](CO)[C@](O)(C[C@H](CN3C(=O)C=CC3=O)c3ccnc(N)c3)[C@H](O)[C@H]2O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O	ZINC000085568942	291667001	/nfs/dbraw/zinc/66/70/01/291667001.db2.gz	BHKSITGNWRZFIX-CVRFDGKRSA-N	0	0	675.647	0.110	1	10	biogenic,in-vitro	KCCFRN
CNC(=[NH2+])NCc1c(CCc2ccccc2)cc2c(c1[O-])C(=O)c1c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(OC)cc1C2=O	ZINC000085568957	291657317	/nfs/dbraw/zinc/65/73/17/291657317.db2.gz	QROVCHMRRRHKJW-SVRKAYTQSA-N	0	0	621.643	0.384	1	10	biogenic,in-vitro	KCCFRN
CNC(=[NH2+])NCc1c([O-])c2c(cc1C1CCCCC1)C(=O)c1cc(OC)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O	ZINC000085568960	560070113	/nfs/dbraw/zinc/07/01/13/560070113.db2.gz	KJAMDZFGDUBQTE-UGMPWRBTSA-N	0	0	599.637	0.646	1	10	biogenic,in-vitro	KCCFRN
CNC(=[NH2+])NCc1c([O-])c2c(cc1C1CCCC1)C(=O)c1cc(OC)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O	ZINC000085568962	560070109	/nfs/dbraw/zinc/07/01/09/560070109.db2.gz	LJYVZCFZOKLMPL-YOAJFNSWSA-N	0	0	585.610	0.256	1	10	biogenic,in-vitro	KCCFRN
CCc1c(OC)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c1C(=O)c1cc(CCc3ccc(N)nc3)cc(O)c1C2=O	ZINC000085568977	560070103	/nfs/dbraw/zinc/07/01/03/560070103.db2.gz	HKVVCKDVKHJCGP-KIVYANFHSA-N	0	0	580.590	0.680	1	10	biogenic,in-vitro	KCCFRN
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)C(=O)c1cc(CCc3ccc(N)nc3)cc(O)c1C2=O	ZINC000085568997	560070092	/nfs/dbraw/zinc/07/00/92/560070092.db2.gz	ZRJJYCYQCXHWTJ-YOAJFNSWSA-N	0	0	552.536	0.117	1	10	biogenic,in-vitro	KCCFRN
O=C1c2ccccc2C(=O)c2c1cc(Cc1ccccc1)c(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c2OCCO	ZINC000085593148	291682687	/nfs/dbraw/zinc/68/26/87/291682687.db2.gz	HYVKGXMLOPCYTQ-RZCCBBNOSA-N	0	0	536.533	0.603	1	10	biogenic,in-vitro	KCCFRN
O=C1c2ccccc2C(=O)c2c(OCCO)c(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc(CCc3ccccc3)c21	ZINC000085593163	291682689	/nfs/dbraw/zinc/68/26/89/291682689.db2.gz	ZMSHZUXAGRRYOZ-LUTAXDJESA-N	0	0	550.560	0.797	1	10	biogenic,in-vitro	KCCFRN
Nc1cc(CCO[C@H]2[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]2Oc2ccc3c(c2O)C(=O)c2ccccc2C3=O)ccn1	ZINC000085593189	291679525	/nfs/dbraw/zinc/67/95/25/291679525.db2.gz	YZEZFUVBWHIXGT-KSEXKNSKSA-N	0	0	522.510	0.591	1	10	biogenic,in-vitro	KCCFRN
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(Cc3cccc(C(N)N)c3)c(O)c1C2=O	ZINC000085593443	291650198	/nfs/dbraw/zinc/65/01/98/291650198.db2.gz	HPHNJZFSNVFJRV-YGDFYQDUSA-N	0	0	608.600	0.298	1	10	biogenic,in-vitro	KCCFRN
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(C(N)N)c3)c(O)c1C2=O	ZINC000085593487	560065404	/nfs/dbraw/zinc/06/54/04/560065404.db2.gz	VVPODVCQSZKNKL-RLOKSPFPSA-N	0	0	578.574	0.806	1	10	biogenic,in-vitro	KCCFRN
CC(=O)Oc1ccc2c(c1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)c(CCCO)c(O)c1C2=O	ZINC000085593513	291650220	/nfs/dbraw/zinc/65/02/20/291650220.db2.gz	ILOMXEIMGGVQPB-NSQHRDDRSA-N	0	0	502.472	0.224	1	10	biogenic,in-vitro	KCCFRN
CC(=O)Oc1ccc2c(c1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)c(CCCCO)c(O)c1C2=O	ZINC000085593515	291650211	/nfs/dbraw/zinc/65/02/11/291650211.db2.gz	DOBHMKJBIQWTSQ-OHFBRNAASA-N	0	0	516.499	0.614	1	10	biogenic,in-vitro	KCCFRN
Cc1c(O)cccc1C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](/C=C/S(C)(=O)=O)Cc1ccc(N)cc1)C(C)C	ZINC000095582893	562772747	/nfs/dbraw/zinc/77/27/47/562772747.db2.gz	OBKRQXHYFWXLCC-UFILHKEJSA-N	0	0	560.673	0.800	1	10		KCCFRN
COCCOc1ccc(N2CC[NH+](CCn3ncc4c5nc([C@H](O)CCC(=O)[O-])nn5c(N)nc43)CC2)cc1	ZINC000095584949	562773421	/nfs/dbraw/zinc/77/34/21/562773421.db2.gz	FQNASTCMQOQBHS-HXUWFJFHSA-N	0	0	539.597	0.802	1	10		KCCFRN
COCCOc1ccc(N2CC[NH+](CCn3ncc4c5nc([C@@H](O)CCC(=O)[O-])nn5c(N)nc43)CC2)cc1	ZINC000095584950	562773423	/nfs/dbraw/zinc/77/34/23/562773423.db2.gz	FQNASTCMQOQBHS-FQEVSTJZSA-N	0	0	539.597	0.802	1	10		KCCFRN
C/C(=C\CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)Cc2ccccc2)[C@H]1OC(=O)Cc1ccc(O)c(O)c1	ZINC000095912282	291644863	/nfs/dbraw/zinc/64/48/63/291644863.db2.gz	GGJOEVXAZYSYAX-UADKCLNFSA-N	0	0	532.542	0.740	1	10	biogenic,in-vitro	KCCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H]([NH+](C)C)[C@@H](O)[C@@H](C)O1	ZINC000100373994	562806886	/nfs/dbraw/zinc/80/68/86/562806886.db2.gz	DJEFXYVVRUAFEB-BKDDMOKXSA-N	0	0	571.579	0.604	1	10		KCCFRN
CCOC(=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	ZINC000101394983	562810565	/nfs/dbraw/zinc/81/05/65/562810565.db2.gz	BCLSZCMBASRGDU-AFBNNRLUSA-N	0	0	540.426	0.539	1	10		KCCFRN
C[C@@H]1OC[C@H]2O[C@@H](O[C@@H]3c4cc5c(cc4[C@@H](c4cc(O)c(O)c(O)c4)[C@H]4C(=O)OC[C@@H]43)OCO5)[C@H](O)[C@@H](O)[C@@H]2O1	ZINC000103236691	562818906	/nfs/dbraw/zinc/81/89/06/562818906.db2.gz	LATAJWGUBIPXOG-FJDGCLGSSA-N	0	0	560.508	0.733	1	10		KCCFRN
O=C1C(O)=C(NCCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCC2)[C@H]1Nc1ccncc1	ZINC000103246134	562819841	/nfs/dbraw/zinc/81/98/41/562819841.db2.gz	HTCDMTUFDISHEY-XZOQPEGZSA-N	0	0	537.683	0.981	1	10		KCCFRN
O=C1C(O)=C(NCCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCC2)[C@@H]1Nc1ccncc1	ZINC000103246137	562819872	/nfs/dbraw/zinc/81/98/72/562819872.db2.gz	HTCDMTUFDISHEY-GOTSBHOMSA-N	0	0	537.683	0.981	1	10		KCCFRN
O=C1C(O)=C(NCCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCC2)[C@H]1Nc1ccncc1	ZINC000103246140	562819844	/nfs/dbraw/zinc/81/98/44/562819844.db2.gz	HTCDMTUFDISHEY-DHIUTWEWSA-N	0	0	537.683	0.981	1	10		KCCFRN
O=C1C(O)=C(NCCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCC2)[C@@H]1Nc1ccncc1	ZINC000103246142	562819850	/nfs/dbraw/zinc/81/98/50/562819850.db2.gz	HTCDMTUFDISHEY-PKTZIBPZSA-N	0	0	537.683	0.981	1	10		KCCFRN
O=C1C(O)=C(NCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCCC2)[C@H]1Nc1ccncc1	ZINC000103247708	562820009	/nfs/dbraw/zinc/82/00/09/562820009.db2.gz	LLUZGQFRXQQBPG-XZOQPEGZSA-N	0	0	537.683	0.981	1	10		KCCFRN
O=C1C(O)=C(NCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCCC2)[C@@H]1Nc1ccncc1	ZINC000103247711	562820013	/nfs/dbraw/zinc/82/00/13/562820013.db2.gz	LLUZGQFRXQQBPG-GOTSBHOMSA-N	0	0	537.683	0.981	1	10		KCCFRN
O=C1C(O)=C(NCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCCC2)[C@H]1Nc1ccncc1	ZINC000103247714	562820017	/nfs/dbraw/zinc/82/00/17/562820017.db2.gz	LLUZGQFRXQQBPG-DHIUTWEWSA-N	0	0	537.683	0.981	1	10		KCCFRN
O=C1C(O)=C(NCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCCC2)[C@@H]1Nc1ccncc1	ZINC000103247716	562819992	/nfs/dbraw/zinc/81/99/92/562819992.db2.gz	LLUZGQFRXQQBPG-PKTZIBPZSA-N	0	0	537.683	0.981	1	10		KCCFRN
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC(=O)c2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000103268097	562822615	/nfs/dbraw/zinc/82/26/15/562822615.db2.gz	SYMAGBCGBRAWHQ-LPULAAIGSA-N	0	0	613.528	0.686	1	10		KCCFRN
CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000103268099	562822589	/nfs/dbraw/zinc/82/25/89/562822589.db2.gz	SYMAGBCGBRAWHQ-CBYKBZENSA-N	0	0	613.528	0.686	1	10		KCCFRN
CN1CCN(C(=O)c2ccc(N3CCc4c3nc(N3CCOCC3)nc4-c3cnc(N)nc3)cn2)CC1	ZINC000118756793	562830510	/nfs/dbraw/zinc/83/05/10/562830510.db2.gz	QLHBERFTXVZIID-UHFFFAOYSA-N	0	0	502.583	0.829	1	10		KCCFRN
CN1CCN(C(=O)c2cncc(N3CCc4c3nc(N3CCOCC3)nc4-c3cnc(N)nc3)c2)CC1	ZINC000118759572	562830517	/nfs/dbraw/zinc/83/05/17/562830517.db2.gz	FSUCEMOGNYKIMJ-UHFFFAOYSA-N	0	0	502.583	0.829	1	10		KCCFRN
CN1CCN(C(=O)c2cc(N3CCc4c3nc(N3CCOCC3)nc4-c3cnc(N)nc3)ccn2)CC1	ZINC000118762662	562830505	/nfs/dbraw/zinc/83/05/05/562830505.db2.gz	QYTYBJUOTNVWBP-UHFFFAOYSA-N	0	0	502.583	0.829	1	10		KCCFRN
COc1c(=O)c(=O)c1N[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	ZINC000169359615	562864081	/nfs/dbraw/zinc/86/40/81/562864081.db2.gz	OMDUNQSZHAYGJM-JCGBQPGOSA-N	0	0	637.594	0.787	1	10		KCCFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccc(OC)cc3[C@@]23C[C@H](C(=O)OC)N(C(=O)N2CCNC2=O)C3=N1	ZINC000195412659	562871797	/nfs/dbraw/zinc/87/17/97/562871797.db2.gz	GWYMVGMRAKVACW-DZQNVJDRSA-N	0	0	541.517	0.156	1	10		KCCFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccc(OC)cc3[C@]23C[C@H](C(=O)OC)N(C(=O)N2CCNC2=O)C3=N1	ZINC000195412670	562871809	/nfs/dbraw/zinc/87/18/09/562871809.db2.gz	GWYMVGMRAKVACW-HYGPGOAJSA-N	0	0	541.517	0.156	1	10		KCCFRN
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(C)=O)[C@H](O)[C@H](C)O1	ZINC000199480993	562873002	/nfs/dbraw/zinc/87/30/02/562873002.db2.gz	WMMDWCWHMHGCSH-IUSYZMBSSA-N	0	0	585.562	0.179	1	10		KCCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@H]([N@H+](C)CCOCC(OC(C)=O)OC(C)=O)[C@H](O)[C@@H](C)O1	ZINC000299845418	562889479	/nfs/dbraw/zinc/88/94/79/562889479.db2.gz	FXRNASVBHWVWOC-BGIHXNRJSA-N	0	0	745.731	0.443	1	10		KCCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@H]([N@H+](C)CCOCC(OC(C)=O)OC(C)=O)[C@H](O)[C@H](C)O1	ZINC000299845419	562889483	/nfs/dbraw/zinc/88/94/83/562889483.db2.gz	FXRNASVBHWVWOC-MXJJTCCRSA-N	0	0	745.731	0.443	1	10		KCCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@H]([N@H+](C)CCOCC(OC(C)=O)OC(C)=O)[C@@H](O)[C@H](C)O1	ZINC000299845420	562889488	/nfs/dbraw/zinc/88/94/88/562889488.db2.gz	FXRNASVBHWVWOC-PUMIUGMRSA-N	0	0	745.731	0.443	1	10		KCCFRN
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]([NH3+])[C@H](O)[C@H](C)O1	ZINC000299847396	562889922	/nfs/dbraw/zinc/88/99/22/562889922.db2.gz	HJEZFVLKJYFNQW-JYHVBQMASA-N	0	0	529.542	0.821	1	10		KCCFRN
COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@@H]2CO)cc1OC	ZINC000299855518	562891669	/nfs/dbraw/zinc/89/16/69/562891669.db2.gz	BGDNTYOQYFZIEC-PMTAATDPSA-N	0	0	506.504	0.738	1	10		KCCFRN
COc1c(=O)n(C)c(Cc2ccccc2)nc1C(=O)N1CCN(CCNC(=O)c2cc(O)c(O)c(O)c2)CC1	ZINC000299856203	562891885	/nfs/dbraw/zinc/89/18/85/562891885.db2.gz	IQFDXJKHUNNEFZ-UHFFFAOYSA-N	0	0	537.573	0.684	1	10		KCCFRN
COc1c(=O)n(C)c(Cc2ccc(O)cc2)nc1C(=O)N1CCN(CCNC(=O)c2cc(O)c(O)c(O)c2)CC1	ZINC000299856875	562892029	/nfs/dbraw/zinc/89/20/29/562892029.db2.gz	KNKAZUCJKHOKCA-UHFFFAOYSA-N	0	0	553.572	0.390	1	10		KCCFRN
COc1c(=O)n(C)c(Cc2ccc(F)cc2)nc1C(=O)N1CCN(CCNC(=O)c2cc(O)c(O)c(O)c2)CC1	ZINC000299859639	562892794	/nfs/dbraw/zinc/89/27/94/562892794.db2.gz	YBVMCVHYPWDHEW-UHFFFAOYSA-N	0	0	555.563	0.823	1	10		KCCFRN
CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(N2CCN(c4ccc(OCc5ccncc5)cc4)CC2)nc3N)[C@H](O)[C@@H]1O	ZINC000299861176	562893194	/nfs/dbraw/zinc/89/31/94/562893194.db2.gz	KRSDSGUJIIYWTO-NBCVKUGOSA-N	0	0	575.630	0.464	1	10		KCCFRN