smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COC1=C/C(=C/NNC(=O)C(=O)Nc2ccccn2)C=CC1=O	13124309	VFGJCRJFXSZMEY-MDZDMXLPSA-N	314.301	0.194	50	3	DCGF	
CC(=O)N[C@@H](COCCN=C=S)C(=O)NCc1ccccc1	49068026	QNAZIVJLGKDJPL-AWEZNQCLSA-N	321.402	0.927	50	1	DCGF	
CCOc1ccc(B(O)O)cc1[C@@H]1NCCc2ccc(O)cc21	963328745	HZWQGOUCEDICJM-QGZVFWFLSA-N	313.162	0.706	50	1	DCGF	
C[C@H]1O[C@@H](Oc2ccc(CN=C=S)cc2)[C@@H](O)[C@@H](O)[C@@H]1O	14443906	QAZIHHJTZPNRCM-HAAGFXOZSA-N	311.359	0.496	50	1	DCGF	endogenous,in-man
C[Si](C)(C)O[C@@H]1CC(=O)O[C@H]1n1cc(F)c(=O)[nH]c1=O	195486867	VUNMNCXPWSZIGW-GMSGAONNSA-N	302.334	0.341	50	1	DCGF	
COC(=O)c1cc(NC(=O)Cc2ccccc2)cc(B(O)O)c1	195383035	CVAIORZDCFIOBK-UHFFFAOYSA-N	313.118	0.334	50	1	DCGF	
CN(C)CCSSCCCNC(=O)Cc1nn[nH]n1	618017849	QZNHYGPJHKNLSF-UHFFFAOYSA-N	304.445	0.192	50	1	DCGF	
Cc1cn([C@@H]2C[C@@H](O)[C@H](CCC(=O)CCl)O2)c(=O)[nH]c1=O	40720231	XDEKSLTXDUBITR-VWYCJHECSA-N	316.741	0.082	50	1	DCGF	
CCOC(=N)[C@@H]1C(C#N)=C2CCCN2[C@]1(O)N1CCOCC1	103168186	YKTGELIFPVBULJ-DZGCQCFKSA-N	306.366	0.482	50	1	DCGF	
NNC(=O)[C@@H]1CCCN([C@@H]2CS(=O)(=O)c3ccccc32)C1	957936820	BQWREDKARGAZTR-ZYHUDNBSSA-N	309.391	0.217	50	1	DCGF	
COC(=O)[C@@H](C[S@](=O)CCCCN=C=S)NC(C)=O	1857581007	TYYSLKDRJZWTGP-GIGQVBGESA-N	306.409	0.296	50	1	DCGF	
C=C1C(=O)O[C@H]2[C@H]1CC[C@](C)(O)[C@]13O[C@H]1[C@H](Cl)[C@@](C)(O)[C@H]23	13385999	LSJACVRYYGZXIP-GVWBZZCTSA-N	314.765	0.755	50	1	DCGF	
O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)N[P@](=O)(O)CCl)cc1	40639635	HABKGUAYYDWGTO-NXEZZACHSA-N	324.657	0.960	50	1	DCGF	
NNC(=O)c1nnc(O)c2c1cnn2-c1ccc(Cl)cc1	1772618363	RPAIIUUYQWIWQQ-UHFFFAOYSA-N	304.697	0.778	50	1	DCGF	
COc1ccc(O)c(/C=N/NC(=O)CCCCC(=O)NO)c1	95809058	COYOUCRCSRRRGY-OQLLNIDSSA-N	309.322	0.917	50	1	DCGF	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(B(O)O)c2)cc1	169879950	OZKOXPWVPDOPHJ-UHFFFAOYSA-N	322.107	0.075	50	1	DCGF	
O=C(CCN1CCOCC1)NNc1nncc2ccccc12	84615239	JNYKWKJFOGFNTE-UHFFFAOYSA-N	301.350	0.795	50	1	DCGF	
COC(=O)CS(=O)(=O)C[C@]1(C)OO[C@H]2C[C@H]1CC[C@@]2(C)O	169370342	WWOZIHNLRRLPNV-DNIRFERGSA-N	322.379	0.214	50	1	DCGF	
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)C[C@@H]1Br	26172397	FPZFSLXDWDTIOO-KORWRZNCSA-N	314.143	0.452	50	1	DCGF	
CC(C)(C)OC(=O)NC/C=N/NC(=O)CCCCC(=O)NO	95808560	LLCQICDDYZGDJT-OQLLNIDSSA-N	316.358	0.679	50	1	DCGF	
Cc1cc(S(N)(=O)=O)c(S[C@@H](C)C(=O)NN)cc1Cl	40424088	ZOBRJIOAKOJEHA-LURJTMIESA-N	323.827	0.766	50	1	DCGF	
N[C@@]1(C(=O)O)CN(Cc2ccccc2)C[C@@H]1CCCB(O)O	200585758	RFGFRNXITMSLTI-ZFWWWQNUSA-N	306.171	0.154	50	1	DCGF	
O=C(NNC(=O)[C@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)O)c1ccccc1	195312375	OIQGZWBQLJOIID-FVCCEPFGSA-N	300.314	0.971	50	1	DCGF	
Cc1cc(B(O)O)cc([C@@H]2NCCc3c(C(=O)O)cccc32)c1	963131916	PHROQXJRLCHCKX-INIZCTEOSA-N	311.146	0.608	50	1	DCGF	
CC(=O)NNC1=NN(C(C)=O)[C@@]2(S1)C(=O)Nc1ccccc12	1642086	KZOZHYGVWZQIQT-ZDUSSCGKSA-N	319.346	0.299	50	1	DCGF	
C=C1[C@H]2O[C@@H](OC)[C@H]3[C@@]1(O)C[C@H](OC(C)=O)[C@@]3(CCl)O2	2356338658	ASVGPKHKCRLGBZ-DVWMECQTSA-N	304.726	0.562	50	1	DCGF	
CN(CC(=O)N1CCC[C@@H]1B(O)O)C1C2CC3CC(C2)CC1C3	170068361	WFRBIIPVLRHKHI-UWRLEFKFSA-N	320.242	0.746	50	1	DCGF	in-vivo
COc1cc(Br)cc(/C=N/NC(=O)C(N)=O)c1O	7993066	MXKDYDTVLZXOFL-YIXHJXPBSA-N	316.111	0.099	50	1	DCGF	
NN(CC(=O)O)C(=O)CCC(=O)N1CCCc2ccccc21	58650028	YSHCCGXJNYTHDM-UHFFFAOYSA-N	305.334	0.533	50	1	DCGF	in-vitro
C[C@H]1O[C@H](Oc2ccc(CN=C=S)cc2)[C@@H](O)[C@@H](O)[C@@H]1O	14443909	QAZIHHJTZPNRCM-YRSIJOKUSA-N	311.359	0.496	50	1	DCGF	endogenous,in-man
COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)c2cccnc2)C1=O	13126804	GNECIGXOLTZCJU-CSKARUKUSA-N	316.273	0.474	50	3	DCGF	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(B(O)O)c2)c1	169879945	AQFNQEHXDLOIDW-UHFFFAOYSA-N	322.107	0.075	50	1	DCGF	
C[C@@]1(C(=O)NN)C(=O)Nc2cc3nc(-c4ccncc4)[nH]c3cc21	28260823	YVXWETMTHPARMJ-INIZCTEOSA-N	322.328	0.825	50	1	DCGF	
NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)N(CCCl)N=O	27899289	YYSRJOTUYIAURB-JTQLQIEISA-N	314.729	0.720	50	1	DCGF	
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)C[C@@H]1Br	26172394	FPZFSLXDWDTIOO-GOZTUDAPSA-N	314.143	0.452	50	1	DCGF	
CN(C)CCSSCCNC(=O)c1cccc[n+]1[O-]	618007829	KBSAYZIYHZKPQU-UHFFFAOYSA-N	301.437	0.993	50	1	DCGF	
Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(C(=O)NN)cc2[nH]1	587274255	HXXWTAOTTLEQSW-UHFFFAOYSA-N	301.266	0.475	50	1	DCGF	
COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2I	254193975	VIPICYHXHUTBCQ-GBFNJJICSA-N	322.098	0.771	50	1	DCGF	
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](C)O[C@@H](O)[C@@H]1Br	29309969	CXAHDWADUSTGGU-MELKFHRFSA-N	311.128	0.350	50	1	DCGF	
O=C1NC(=O)[C@@H]2[C@H]1c1[nH]c3ccccc3c1[C@@H]1C(=O)OC(=O)[C@@H]12	169292817	LBJMURZASRZFHN-MMWGEVLESA-N	310.265	0.321	50	1	DCGF	
N[C@@H](C[C@@H](CCC(=O)NNc1ccccc1)C(=O)O)C(=O)O	95593105	VJGPPVUHQVJHJM-KOLCDFICSA-N	309.322	0.413	50	1	DCGF	
Cc1cc(C(=O)N/N=C/[c-]2cc([N+](=O)[O-])cc(C)c2=O)[nH]n1	169688053	SBSOGQJGPLERAK-MKMNVTDBSA-N	302.270	0.778	50	1	DCGF	
O=C(NO)c1cccc(C(=O)N/N=C/c2cc(O)ccc2O)c1	95808816	WTHOETMSZALCOP-LZYBPNLTSA-N	315.285	0.981	50	1	DCGF	
CN1C(=O)[C@]23Cc4ccccc4N2C(=O)[C@@]1(CO)SS3	34006577	NFEZWAFSLIIAQI-CHWSQXEVSA-N	308.384	0.828	50	1	DCGF	
Nn1c(Cc2csc(NC(=O)CCl)n2)n[nH]c1=S	28712123	ZLIAMJQWKIUHTK-UHFFFAOYSA-N	304.788	0.879	50	1	DCGF	
NC(=O)NC(=O)c1ccc(O)c(NC(=O)CBr)c1	40954605	QVRXVIWIAKCSOQ-UHFFFAOYSA-N	316.111	0.534	50	1	DCGF	
O=C(N/N=C/c1c(-c2ccccc2)no[n+]1[O-])N1CCOCC1	1651327	MARXGGLFUMEGRL-XNTDXEJSSA-N	317.305	0.351	50	1	DCGF	
OB(O)c1ccc([C@@H]2NCCc3ccc(O)cc32)cc1Cl	963341149	LSPKMIGQWRHVMF-HNNXBMFYSA-N	303.554	0.961	50	1	DCGF	
COc1ccccc1C(=O)Nc1cc(B(O)O)cc(C(=O)O)c1	170121738	CNFQUZRMTMDKNO-UHFFFAOYSA-N	315.090	0.326	50	1	DCGF	
CCOC(=O)CN1C(=O)/C(=N\NC(=O)OC)c2ccccc21	101358539	SOJHVBUXXGMNFU-QINSGFPZSA-N	305.290	0.656	50	3	DCGF	
O=C(O)CNC(=O)CCCC(=O)Oc1ccc([N+](=O)[O-])cc1	87528639	BBPXKBCKZJYEQC-UHFFFAOYSA-N	310.262	0.871	50	1	DCGF	in-vitro
O=C1NC(=O)[C@H]2[C@H]1[C@H]1O[C@H]2[C@H](Br)[C@H]1Br	144800005	AHULPADMYFKORI-NCGNNJKGSA-N	324.956	0.183	50	3	DCGF	
CC=C1CC2=C(C(=O)OC2=O)[C@H](CCC)[C@@H](O)C(=O)C[C@@H]1O	2356399860	ILMHTGUGRLGMCR-NURSFMCSSA-N	308.330	0.814	50	1	DCGF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)CC(=C)[C@@H]1[C@H](O)C[C@](O)(CCl)[C@@H]21	2356575928	ICMGGJICNZTFKZ-JPJORWPYSA-N	314.765	0.372	50	1	DCGF	
CC=C1CC2=C(C(=O)OC2=O)[C@H](CCC)[C@@H](O)C(=O)C[C@H]1O	2356399859	ILMHTGUGRLGMCR-DRCTWCGVSA-N	308.330	0.814	50	1	DCGF	
CCOc1ccc2ccccc2c1S(=O)(=O)NCB(O)O	195395187	ICCMQMKQMLHPGG-UHFFFAOYSA-N	309.152	0.529	50	1	DCGF	
O=C(CC[C@@H](CC(=O)C(=O)O)C(=O)O)NNc1ccccc1	95594846	BDQOZJTUMLJXCX-VIFPVBQESA-N	308.290	0.655	50	1	DCGF	
O=C(CNC12CC3CC(CC(C3)C1)C2)N1CCC[C@@H]1B(O)O	170068365	PDSFQJYJMMJUTN-MHCOZEDOSA-N	306.215	0.548	50	1	DCGF	in-vivo
NNC(=O)c1ccc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2c1	587267750	GAOSMAVOHNJEGW-UHFFFAOYSA-N	313.277	0.719	50	1	DCGF	
C=C(C)OC(=O)N[C@@H](Cc1cccnc1)C(=O)NNC(C)=O	2356619628	MZRYFSKXFHWQQV-LBPRGKRZSA-N	306.322	0.420	50	1	DCGF	
CCOc1ccc(C(=O)NN/C=C2\C(=O)NC(=O)N=C2C)cc1	13118995	UHIVNLSJGGHILQ-WQLSENKSSA-N	316.317	0.914	50	3	DCGF	
COC[C@@H]1C(=O)O[C@@H]2C=C(C=O)CC[C@@H]3O[C@]3(C)C[C@@H](O)[C@@H]21	2356378772	WBPLUYPNVJIDLO-ZRBMOSAKSA-N	310.346	0.618	50	1	DCGF	
COc1cc(COc2ccc(B(O)O)cn2)cc(OC)c1OC	299866076	VEDXMYUUIDTSDN-UHFFFAOYSA-N	319.122	0.366	50	1	DCGF	
O[C@H]([C@H](O)Br)[C@@H](O)N1CCCc2ccccc21	169355060	GRLYEYUNMMNAKQ-GRYCIOLGSA-N	302.168	0.832	50	1	DCGF	
O=C(NNC(=O)[C@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)O)c1ccccc1O	195441608	JEZDCPHWGIMNMF-MNUQUWEESA-N	316.313	0.676	50	1	DCGF	
C[C@@H]1CC[C@H]2[C@](O)(CO)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4	43278867	URUDALISAQCCKK-HEKJNUSLSA-N	314.334	0.482	50	1	DCGF	
CN(C)CCSSCCCNC(=O)[C@H]1CCC(=O)N1	618010179	RLSHLQFGCZFTGC-SNVBAGLBSA-N	305.469	0.714	50	1	DCGF	
CCCNC(=O)NNC(=O)c1c[nH]c2nc(C)ccc2c1=O	6380407	QKXSVBLGVPRBKV-UHFFFAOYSA-N	303.322	0.586	50	1	DCGF	
N#C/C(C(=O)N1CCC1)=C(/N)c1cc(O)c(O)c([N+](=O)[O-])c1	1857551160	RQWRPZTVJRQILY-FLIBITNWSA-N	304.262	0.432	50	1	DCGF	
O=C(NNC(=O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)O)c1ccccc1O	101177781	JEZDCPHWGIMNMF-PNZRWIHMSA-N	316.313	0.676	50	1	DCGF	
C=C1C(=O)O[C@H]2C[C@](O)(CCl)[C@@H]3C[C@H](O)C(=C)[C@@]3(O)C[C@H]12	238758518	PXCLIGUGCAGFAN-YLHZTVIJSA-N	314.765	0.516	50	1	DCGF	
N#CC[C@]1(O)C=C(Br)C(=O)[C@H](Br)[C@@H]1O	13450132	WHLPZHXHZAAZBP-GEVIPFJHSA-N	324.956	0.617	50	1	DCGF	biogenic
CN1C(=O)[C@@]23Cc4cccc(O)c4N2C(=O)[C@]1(CO)SS3	13434345	BNNLUYCZQNYABS-STQMWFEESA-N	324.383	0.533	50	1	DCGF	
C[C@H](O)[C@@H](NC(=O)N(CCCl)N=O)C(=O)NCCCl	28229569	XMUQFNMKQABQEL-NKWVEPMBSA-N	315.157	0.023	50	1	DCGF	
CCN(CC)C1=CC(=O)/C(=C/NNC(=O)c2cnccn2)C=C1	13123028	ULMJHQJVAMFGKW-ZRDIBKRKSA-N	313.361	0.960	50	3	DCGF	
COc1ccc(C(=O)NN/C=c2/ccc3c(n2)C(=O)C=CC=3)cc1	103809979	DVNRVBDZHHWCGE-KAMYIIQDSA-N	321.336	0.296	50	3	DCGF	
O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)N[P@](=O)(O)CCl)cc1	40639637	HABKGUAYYDWGTO-VHSXEESVSA-N	324.657	0.960	50	1	DCGF	
COCCN1C(=O)CS/C1=C(/C#N)C(=O)NCc1ccco1	3222658	CRBGHXOZNJAWBI-KAMYIIQDSA-N	321.358	0.853	50	3	DCGF	
O=C(NN/C=C1\C=CC=CC1=O)C(=O)Nc1ccc(F)cc1	33837052	KWXVTQLDSVISAM-MDZDMXLPSA-N	301.277	0.964	50	3	DCGF	
O=CC1=C/C(=N\Nc2ccc(S(=O)(=O)O)cc2)C=CC1=O	12507487	FMRNKTCDZLFWSV-PTNGSMBKSA-N	306.299	0.965	50	3	DCGF	
COC(=O)CS(=O)(=O)C[C@@]1(C)OO[C@@H]2C[C@@H]1CC[C@@]2(C)O	100834820	WWOZIHNLRRLPNV-XKAARJIMSA-N	322.379	0.214	50	1	DCGF	
N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)N1CCOC1	1857582316	BUKSGWNJWCSCOI-YCRREMRBSA-N	305.246	0.729	50	1	DCGF	
CC(NNC(=O)Cn1cc([N+](=O)[O-])cn1)=C1C=CC(=O)C=C1	13125660	LVJMSOHDYVLNIF-UHFFFAOYSA-N	303.278	0.381	50	3	DCGF	
COC(=O)C[C@H]1COCC[C@H](CC(=O)OC)C(=O)OC(=O)C1	2356838731	MCPQSWSJBAOZSJ-NXEZZACHSA-N	316.306	0.225	50	1	DCGF	
COC(=O)[C@@H](C[S@@](=O)CCCCN=C=S)NC(C)=O	1857581006	TYYSLKDRJZWTGP-DGIBIBHMSA-N	306.409	0.296	50	1	DCGF	
N[C@@H](C(=O)NNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1	27182926	SAVMFRATJNBFDP-LLVKDONJSA-N	304.262	0.649	50	1	DCGF	
COC(=O)/C(C#N)=C/N1CCN(C(=O)c2ccco2)C1=S	40829229	IOBKECCKVFEPRK-CMDGGOBGSA-N	305.315	0.903	50	1	DCGF	
COc1ccc2c(c1)[n+](=O)c(/C(C)=N/NC(=O)CC#N)cn2O	377841330	LYQWETAUKREOJM-CXUHLZMHSA-O	316.297	0.556	50	1	DCGF	
COc1ccc(C(=O)NN/C=C2\C=c3ccccc3=NC2=O)cc1	13126698	VPQIGRGROWVWKU-SDNWHVSQSA-N	321.336	0.454	50	3	DCGF	
N#CC1=C(NCCO)[C@@H]2Cc3cc(O)c(O)cc3O[C@@H]2C=C1N	101006061	VDJWANADLYXZJL-RFAUZJTJSA-N	315.329	0.233	50	1	DCGF	
CN(C)CCCNC(=O)N/N=C/c1ccc2no[n+]([O-])c2c1	29565749	RRKMXGWZIZCNMY-OQLLNIDSSA-N	306.326	0.046	50	1	DCGF	
N#CSc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O	31996796	MRIVVOQRLBCTOK-SHYZEUOFSA-N	310.295	0.068	50	1	DCGF	
CC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)c2cc(C)[nH]n2)C1=O	13126225	QYKWRWCCHMMEQA-RMKNXTFCSA-N	303.278	0.526	50	3	DCGF	
CC(=O)NNC1=NN(C(C)=O)[C@]2(S1)C(=O)Nc1ccccc12	5602315	KZOZHYGVWZQIQT-CYBMUJFWSA-N	319.346	0.299	50	1	DCGF	
CC(=O)C1=C(O)/C(=C(\O)Nc2ccccc2N)C(=O)OC1=O	169336583	QDLRYKQREGYTHH-ZRDIBKRKSA-N	304.258	0.935	50	1	DCGF	
O=C(NO)c1ccc(C(=O)N/N=C/c2ccc(O)cc2O)cc1	95808579	YTBJIVQXQUYRSI-LZYBPNLTSA-N	315.285	0.981	50	1	DCGF	
NNC(=O)[C@@H]1CCCN([C@H]2CS(=O)(=O)c3ccccc32)C1	957936819	BQWREDKARGAZTR-PWSUYJOCSA-N	309.391	0.217	50	1	DCGF	
COC[C@@H]1C(=O)O[C@@H]2C=C(C=O)CC[C@@H]3O[C@]3(C)C[C@@H](O)[C@H]21	2356378771	WBPLUYPNVJIDLO-RRGRKSGHSA-N	310.346	0.618	50	1	DCGF	
COC(=O)CS(=O)(=O)C[C@]1(C)OO[C@@H]2C[C@@H]1CC[C@@]2(C)O	101255078	WWOZIHNLRRLPNV-YGNMPJRFSA-N	322.379	0.214	50	1	DCGF	
C=CCSSC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)O	15261313	VTEHWEWRSAXLHY-SFYZADRCSA-N	322.408	0.315	50	1	DCGF	endogenous,in-man
CCOC(=O)[C@@]1(NC(=O)NNC(=O)c2ccco2)CC1(C)C	84653891	XGNZTLSOKIVLGE-AWEZNQCLSA-N	309.322	0.955	50	1	DCGF	
COc1cccc(/C=N/NC(=O)Cc2c(O)n[nH]c2C)c1O	16974562	GTMDXQFYKAGCQY-VIZOYTHASA-N	304.306	0.831	50	1	DCGF	
COc1ccc(-c2cn(Cc3cccc(B(O)O)c3)nn2)cc1	1857750805	OKZXIOYOLYQTLU-UHFFFAOYSA-N	309.134	0.682	50	1	DCGF	
O=C(CC(=O)NN/C=C1\C=CC=CC1=O)NCc1cccnc1	13124236	CIHIDTQOLUSGTH-ACCUITESSA-N	312.329	0.288	50	3	DCGF	
C=C1C(=O)O[C@H]2[C@H]1C[C@@H]([C@@H](C)O)[C@@]13O[C@@H]1[C@@H](Cl)[C@](C)(O)[C@H]23	523041885	VTKBHHKUNBJMHE-MRIGMNEZSA-N	314.765	0.611	50	1	DCGF	biogenic
CC(=O)N/N=C/c1c(O)ccc2c3c(c(=O)oc12)CN(C)CC3	1857546491	FSRALXOIFQYOPM-REZTVBANSA-N	315.329	0.957	50	1	DCGF	
O=C(N/N=C/c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1	584905558	PYWCMFFRTOJYQJ-PJQLUOCWSA-N	320.257	0.684	50	1	DCGF	in-vitro
CC(=O)C1=C(O)/C(=C(\O)Nc2cc(N)cc(N)c2)C(=O)OC1=O	169336174	PZITXQSRKOAKBV-ZRDIBKRKSA-N	319.273	0.517	50	1	DCGF	
NC(=S)NNC(=O)c1[nH]nc(-c2ccc(Cl)cc2)c1N	653699641	WXQWYOQAJCTPDJ-UHFFFAOYSA-N	310.770	0.790	50	1	DCGF	
OB(O)c1ccccc1/C=N/NC(=S)NC1CCCCC1	170092279	AFBLQYYICMZIOM-MHWRWJLKSA-N	305.212	0.497	50	1	DCGF	
COc1ccc(Cl)c2c1CCN[C@@H]2c1cc(B(O)O)co1	963260476	WZNNMHUTZVLLPZ-CQSZACIVSA-N	307.542	0.857	50	1	DCGF	
C=C1[C@H]2O[C@@H](OC)[C@H]3[C@@]1(O)C[C@@H](OC(C)=O)[C@@]3(CCl)O2	2356338660	ASVGPKHKCRLGBZ-KISRQWFGSA-N	304.726	0.562	50	1	DCGF	
Cc1cc(C(=O)NN/C=C2\C=C(Cl)C=C([N+](=O)[O-])C2=O)n[nH]1	13126401	BDRMMZAAHQFJGJ-FNORWQNLSA-N	323.696	0.702	50	3	DCGF	
COC(=O)C[C@@H]1CCOC[C@H](CC(=O)OC)CC(=O)OC1=O	2356838734	MCPQSWSJBAOZSJ-ZJUUUORDSA-N	316.306	0.225	50	1	DCGF	
O=c1c(O)cn(-c2cccc(-c3ccccc3)c2)cc1B(O)O	199167708	RJVMGRMKRJSOAH-UHFFFAOYSA-N	307.114	0.890	50	1	DCGF	in-vitro
Cc1cn([C@@H]2C[C@H](O)[C@@H](CCl)O2)c(=O)nc1-n1cncn1	26648741	PDTYFSKQWVDABZ-AEJSXWLSSA-N	311.729	0.020	50	1	DCGF	
COC(=O)CS(=O)(=O)C[C@@]1(C)OO[C@H]2C[C@H]1CC[C@]2(C)O	299804796	WWOZIHNLRRLPNV-RSLMWUCJSA-N	322.379	0.214	50	1	DCGF	
CC1=NC=C(CO)/C(=C/NNC(=O)c2ccc(O)cc2)C1=O	33896190	ZPLSTZZLWHHOAM-QPEQYQDCSA-N	301.302	0.430	50	3	DCGF	
N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)N1CCOCC1	40974225	JWYJDCMJFRCPCR-BJMVGYQFSA-N	319.273	0.772	50	1	DCGF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)CC(=C)[C@H]1[C@@H]2[C@@](O)(CCl)C[C@H]1O	2356575927	ICMGGJICNZTFKZ-IFHZWOMPSA-N	314.765	0.372	50	1	DCGF	
Cc1cn([C@@H]2O[C@H](CO)[C@H](CN=[N+]=[N-])[C@H]2Cl)c(=O)[nH]c1=O	28637125	OFYCGBJTOMQMMB-OKJYPTKPSA-N	315.717	0.269	50	1	DCGF	
C/C(=N\NC(=O)c1ccccc1)C1C(=O)N(C)C(=O)N(C)C1=O	103237626	AHWMXSVJGFVRAU-CXUHLZMHSA-N	316.317	0.459	50	1	DCGF	
C=C1C(=O)O[C@H]2[C@H]1C[C@@H]([C@H](C)O)[C@@]13O[C@@H]1[C@@H](Cl)[C@](C)(O)[C@@H]23	238761865	VTKBHHKUNBJMHE-CBWRVVSASA-N	314.765	0.611	50	1	DCGF	
CC(C)(CBr)NC[C@@H](O)Cn1ccnc1[N+](=O)[O-]	26579447	QZURNHYLBOPGBW-MRVPVSSYSA-N	321.175	0.915	50	1	DCGF	
Cn1nnnc1SCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1	95560161	HOWHMENBJDFRTC-WUXMJOGZSA-N	321.322	0.361	50	1	DCGF	
C[C@@H]1CC[C@H]2[C@](O)(CO)C(=O)O[C@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	101480841	URUDALISAQCCKK-NNPNGFRRSA-N	314.334	0.482	50	1	DCGF	
COc1cccc(C=C[C@H](O)[C@H](O)[C@H](O)[C@@H](C)Cl)c1CO	2356723214	BLOBGGKUYRGHEO-PWFWHMEDSA-N	316.781	0.911	50	1	DCGF	
N#CC1=C(N)N(C(=O)c2cc3ccccc3[nH]2)NC1(C#N)C#N	43123155	OUGCNXUJHLBDBD-UHFFFAOYSA-N	303.285	0.608	50	1	DCGF	
CCNC(=S)NNC(=O)Cn1c(=O)oc2ccc(C)cc21	28868851	XSYCTKRUKSDJMW-UHFFFAOYSA-N	308.363	0.418	50	1	DCGF	
Cc1ccc(S(=O)(=O)NNC(=O)Cc2cccn2C)cc1	3312457	JEMCSBBVVOTSSJ-UHFFFAOYSA-N	307.375	0.886	50	3	DCGF	
O[C@@H](Br)[C@@H](O)[C@@H](O)N1CCCc2ccccc21	72137472	GRLYEYUNMMNAKQ-IJLUTSLNSA-N	302.168	0.832	50	1	DCGF	
O=C(O)[C@]1(O)C=C([C@@H](Cl)Cc2ccccc2)[C@@H](O)[C@H](O)C1	169309769	QMQNCCFRKZZYHM-JLNYLFASSA-N	312.749	0.704	50	1	DCGF	
CC1(C)OC(=O)C(c2nc3ccc(C(=O)NN)cc3[nH]2)=C1N	587255754	VZVGHZXFFDGQCW-UHFFFAOYSA-N	301.306	0.172	50	1	DCGF	
CC(C)C[C@H](NC(=O)[C@@H](N)Cc1cc(F)cc(F)c1)B(O)O	195299756	SRRYMZZGXYMFGI-STQMWFEESA-N	314.141	0.378	50	1	DCGF	
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CCl)O2)cc1CCCCl	44181932	YKUKQBOEZCQEEQ-GUBZILKMSA-N	323.176	0.595	50	1	DCGF	
N#CC1=C(NCCO)[C@@H]2Cc3cc(O)c(O)cc3O[C@H]2C=C1N	101006067	VDJWANADLYXZJL-PSLIRLAXSA-N	315.329	0.233	50	1	DCGF	
Nc1ccc(SSC[C@H](NC(=O)C(=O)O)C(=O)O)cc1	84669392	WKTZXDKZMIHEAK-QMMMGPOBSA-N	316.360	0.663	50	1	DCGF	
O=CC1=C/C(=C/NCC[C@@H]2CNCCO2)C(=O)c2ncccc21	101647081	IFEQRKDUICWTKZ-FWLQQBITSA-N	313.357	0.712	50	1	DCGF	
N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)n1cnnn1	1857597133	CHCQMDHGWFYVHC-LREOWRDNSA-N	302.206	0.240	50	1	DCGF	
CN(C)CCSSCCNC(=O)c1ccc(O)nn1	618011806	RYQHWAHCRIKDIR-UHFFFAOYSA-N	302.425	0.855	50	1	DCGF	
CCOC(=O)[C@]1(NC(=O)NNC(=O)c2cccnc2)CC1(C)C	84652453	HHDRRDYBUZZKPX-OAHLLOKOSA-N	320.349	0.757	50	1	DCGF	
C=C1[C@H]2O[C@H](OCC)[C@H]3[C@@]1(O)C[C@@H](OC(C)=O)[C@@]3(CCl)O2	2356585382	NRJFYYSNYKMATB-BBMNEWJDSA-N	318.753	0.952	50	1	DCGF	
Cc1nc(N(C)C)ncc1-c1nc2ccc(C(=O)NN)cc2[nH]1	587194545	IZZNAPZVMBLZPV-UHFFFAOYSA-N	311.349	0.998	50	1	DCGF	
CC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@H](Cl)[C@@H]2S(=O)(=O)C1	27900853	FCQHUUQODDPYKY-XVKPBYJWSA-N	321.782	0.806	50	1	DCGF	
COc1cccc(C=C[C@H](O)[C@H](O)[C@@H](O)[C@@H](C)Cl)c1CO	2356723213	BLOBGGKUYRGHEO-JYBASQMISA-N	316.781	0.911	50	1	DCGF	
O=C1NC(=O)[C@@H]2[C@@H]1c1[nH]c3ccccc3c1[C@@H]1C(=O)OC(=O)[C@@H]12	169292815	LBJMURZASRZFHN-UKKRHICBSA-N	310.265	0.321	50	1	DCGF	
C[C@@H]1CC[C@H]2[C@](O)(CO)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4	169365731	URUDALISAQCCKK-MMIKVBKHSA-N	314.334	0.482	50	1	DCGF	
CN1CCN(c2ncn(C[C@H](O)CCl)c2[N+](=O)[O-])CC1	40406723	UBCXADYANGCHJL-SECBINFHSA-N	303.750	0.143	50	1	DCGF	
CC(C)C[C@H](NC(=O)Cn1ccc2ccccc2c1=O)B(O)O	169971085	BHKPXJXKNJTTJH-AWEZNQCLSA-N	316.166	0.544	50	1	DCGF	
C=C1[C@H]2O[C@@H](OCC)[C@H]3[C@@]1(O)C[C@@H](OC(C)=O)[C@@]3(CCl)O2	2356585383	NRJFYYSNYKMATB-GSZZWUTPSA-N	318.753	0.952	50	1	DCGF	
CC(=O)C1=C(O)/C(=C(\O)Nc2cc(N)cc(O)c2)C(=O)OC1=O	169336167	BCHMFYOQJGLGCO-ZRDIBKRKSA-N	320.257	0.640	50	1	DCGF	
Cc1ccsc1[C@H]1C(C#N)=C(N)Oc2[nH]c(=O)[nH]c(=O)c21	6218751	MGTAJJHFODOHOK-ZETCQYMHSA-N	302.315	0.651	50	1	DCGF	
NNC(=O)c1ccc2nc(CNC(=O)c3cscn3)[nH]c2c1	587028595	SYPQWMTWYVXYQI-UHFFFAOYSA-N	316.346	0.553	50	1	DCGF	
Cc1cc(B(O)O)cc([C@H]2NCCc3c(C(=O)O)cccc32)c1	963131917	PHROQXJRLCHCKX-MRXNPFEDSA-N	311.146	0.608	50	1	DCGF	
COC(=O)[C@H](C[S@@](=O)CCCCN=C=S)NC(C)=O	1857581008	TYYSLKDRJZWTGP-OVWNDWIMSA-N	306.409	0.296	50	1	DCGF	
O=C(OC[C@H]1C[C@@H]2O[C@H]1[C@H]1C(=O)OC(=O)[C@@H]21)c1ccccc1	42764220	SZDQLXRYGYIPFW-QNWJLWSRSA-N	302.282	0.947	50	1	DCGF	
C=C1[C@H](O)C[C@@H]2[C@](O)(CCl)C[C@@H]3OC(=O)[C@H](C)[C@@H]3C[C@@]12O	2356779165	NAVPGMZDCRNXQS-UYBGOLENSA-N	316.781	0.596	50	1	DCGF	
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CCl)O2)cc1CCCCl	29404896	YKUKQBOEZCQEEQ-IVZWLZJFSA-N	323.176	0.595	50	1	DCGF	
CN(C)Cc1ccc(CNCCN2CCNC2=C(C#N)C#N)o1	2010401	YQWKSZPFQPPLDB-UHFFFAOYSA-N	314.393	0.595	50	1	DCGF	
CC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@H](Cl)[C@H]2S(=O)(=O)C1	25968151	FCQHUUQODDPYKY-OIBJUYFYSA-N	321.782	0.806	50	1	DCGF	
Cc1ccc(OCC(=O)Nc2cc(B(O)O)ccc2O)cc1	170124790	YDFSHLBEHJOQOZ-UHFFFAOYSA-N	301.107	0.398	50	1	DCGF	
Cc1nc2sccn2c1C(=O)N/N=C1\SCC(=O)N1C	17216324	HNKRQBARRWSIPV-KAMYIIQDSA-N	309.376	0.910	50	1	DCGF	
CCOc1ccc(B(O)O)cc1[C@H]1NCCc2ccc(O)cc21	963328744	HZWQGOUCEDICJM-KRWDZBQOSA-N	313.162	0.706	50	1	DCGF	
O=C(NN=C[C@H]1[C@H]2C[C@@H](O)OC[C@H]2C[C@H]1O)c1ccncc1	1857621341	VADYCLGPEIQBAJ-HTOAHKCRSA-N	305.334	0.149	50	1	DCGF	
C[C@@H](NC(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)O	1857618875	HKBDAOPASNHUNF-ONJTYKPQSA-N	321.245	0.502	50	1	DCGF	
O=C1C=C/C(=C\NNC(=O)CNC(=O)c2ccco2)C(O)=C1	15837008	PNCUKUCKQVRFQT-VQHVLOKHSA-N	303.274	0.095	50	3	DCGF	
C=C1[C@H](O)C[C@@H]2[C@](O)(CCl)C[C@@H]3OC(=O)[C@H](C)[C@H]3C[C@]12O	2356779163	NAVPGMZDCRNXQS-HTZPIQOHSA-N	316.781	0.596	50	1	DCGF	
NC(=O)C(=O)NN/C=C1\C=Nc2ccc(Br)cc21	13123018	BHRPGZMZOCHYFL-AATRIKPKSA-N	309.123	0.612	50	3	DCGF	
O=CC1=C/C(=C/NCC[C@H]2CNCCO2)C(=O)c2ncccc21	101647084	IFEQRKDUICWTKZ-UQTJOTSZSA-N	313.357	0.712	50	1	DCGF	
C[C@@H]1O[C@@H](Oc2ccc(CN=C=S)cc2)[C@@H](O)[C@@H](O)[C@H]1O	34386041	QAZIHHJTZPNRCM-KDPWEKEESA-N	311.359	0.496	50	1	DCGF	in-man
C[C@@H]1CC[C@H]2[C@](O)(CO)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4	43278863	URUDALISAQCCKK-GMKAKYJRSA-N	314.334	0.482	50	1	DCGF	
NNC(=O)Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O	2550313	ZNPFGAFGAPWXLY-UHFFFAOYSA-N	321.340	0.962	50	1	DCGF	
O=C(O)c1cccc2c1CCN[C@@H]2c1cccc(B(O)O)c1F	963123970	PCYCGCCTCRHKQC-HNNXBMFYSA-N	315.109	0.439	50	1	DCGF	
N[C@@H](Cc1c[nH]c2ccccc12)C(=S)N1CCC[C@H]1B(O)O	200437525	KMASLBWHKFXVDH-JSGCOSHPSA-N	317.223	0.842	50	1	DCGF	
N#CC1=C(NCCO)[C@H]2Cc3cc(O)c(O)cc3O[C@@H]2CC1=N	34804454	WHKGFGSOXUPIAT-BJOHPYRUSA-N	315.329	0.801	50	1	DCGF	
N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)Nc1nn[nH]n1	1857594254	OLQNPPYVLFAPKF-LZCJLJQNSA-N	317.221	0.065	50	1	DCGF	
C[C@H](O)[C@@H]1C[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@@H]2[C@](C)(O)[C@H](Cl)[C@H]3O[C@@]132	2356783513	LOWSMPMMYHYTFB-SBDXTPEGSA-N	316.781	0.691	50	1	DCGF	
CCOC(=O)c1sc(N)c(C(=O)NNC(N)=S)c1C	45498476	BSASVGAZZJZYRL-UHFFFAOYSA-N	302.381	0.293	50	1	DCGF	
N[C@](CCCCB(O)O)(CCN1Cc2ccccc2C1)C(=O)O	170183259	LHZVBKDEYOIYGK-MRXNPFEDSA-N	320.198	0.818	50	1	DCGF	
C[C@@H](Br)[C@@H](C)NC[C@H](O)Cn1ccnc1[N+](=O)[O-]	26576591	ZDFYAXPRJDKWGQ-HLTSFMKQSA-N	321.175	0.914	50	1	DCGF	
Cc1cn([C@@H]2C[C@@H](O)[C@@H](CCl)O2)c(=O)nc1-n1cncn1	26648733	PDTYFSKQWVDABZ-BBBLOLIVSA-N	311.729	0.020	50	1	DCGF	
CC(C)C[C@H](NC(=O)c1n[nH]c(Cc2ccccc2)n1)B(O)O	1857567280	LEILZOBPIUVFAW-LBPRGKRZSA-N	316.170	0.552	50	1	DCGF	
O=C(NO)c1cccc(C(=O)N/N=C/c2ccc(O)cc2O)c1	95808985	UDFWWYBGFBISBH-LZYBPNLTSA-N	315.285	0.981	50	1	DCGF	
O=C(NNC(=O)[C@@H]1C[C@H](C(=O)O)[C@@H]2CCC[C@H]12)c1ccncc1	1857604236	AMFSFFYJBKECAN-LOWDOPEQSA-N	317.345	0.980	50	1	DCGF	
O=C(Cc1cccs1)Nc1cc(B(O)O)cc(C(=O)O)c1	170121744	CFVZHOLBBPQSIQ-UHFFFAOYSA-N	305.120	0.307	50	1	DCGF	
CCCOc1c(C(=O)NN)sc(C(=O)NN)c1OCCC	45302770	ABHMLFBNQBOSKA-UHFFFAOYSA-N	316.383	0.533	50	1	DCGF	
COc1ccc(-c2cn(Cc3ccc(B(O)O)cc3)nn2)cc1	1857751845	VAXZCVGJFYBZPQ-UHFFFAOYSA-N	309.134	0.682	50	1	DCGF	
CCc1ccc(OCC(=O)Nc2cc(B(O)O)ccc2O)cc1	170124794	BTRNPELDBAMPHE-UHFFFAOYSA-N	315.134	0.652	50	1	DCGF	
C[Si](C)(C)O[C@@H]1CC(=O)O[C@@H]1n1cc(F)c(=O)[nH]c1=O	195486860	VUNMNCXPWSZIGW-XCBNKYQSSA-N	302.334	0.341	50	1	DCGF	
C[C@H](O)[C@@H]1C[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@@H]2[C@](C)(O)[C@H](Cl)[C@@H]3O[C@]132	2356783514	LOWSMPMMYHYTFB-XCILUNJISA-N	316.781	0.691	50	1	DCGF	
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CCl)O2)cc1CCCCl	3611824	YKUKQBOEZCQEEQ-UTLUCORTSA-N	323.176	0.595	50	1	DCGF	
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CCl)O2)cc1CCCCl	29404890	YKUKQBOEZCQEEQ-BBBLOLIVSA-N	323.176	0.595	50	1	DCGF	
COC1=C/C(=C/NNC(=O)C(=O)NCc2ccco2)C=CC1=O	13119286	SKYAQNPCVCEKJV-CSKARUKUSA-N	317.301	0.070	50	3	DCGF	
O=C(NC1CCCCC1)c1ncn2c(=O)n(CCCl)nnc12	28771582	HGNVEICZRZJWEO-UHFFFAOYSA-N	324.772	0.587	50	1	DCGF	
C[C@@H](Br)C(=O)Nc1ccc(C(=O)NC(N)=O)o1	40429975	RVFQKNJMARBNLV-SCSAIBSYSA-N	304.100	0.810	50	1	DCGF	
C[C@@H]1CC[C@@H]2[C@](O)(CO)C(=O)O[C@H]3O[C@]4(C)CC[C@@H]1[C@@]32OO4	195269367	URUDALISAQCCKK-NEMKXHCISA-N	314.334	0.482	50	1	DCGF	
Cc1cn([C@@H]2O[C@H](CO)[C@@H](CN=[N+]=[N-])[C@H]2Cl)c(=O)[nH]c1=O	13585642	OFYCGBJTOMQMMB-FDDDBJFASA-N	315.717	0.269	50	1	DCGF	
CC(C)(NC(=O)CCl)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1	587009549	KSUIYIKBVMIVFE-UHFFFAOYSA-N	303.153	0.961	50	1	DCGF	
C=C1[C@H](O)C[C@@H]2[C@](O)(CCl)C[C@@H]3OC(=O)[C@H](C)[C@@H]3C[C@]12O	2356779164	NAVPGMZDCRNXQS-NYJGIOQOSA-N	316.781	0.596	50	1	DCGF	
CC(=O)C1=C(O)/C(=C(\O)Nc2c(O)cccc2O)C(=O)OC1=O	169336588	YSKFIWGETYMTCN-FMIVXFBMSA-N	321.241	0.764	50	1	DCGF	
NC(=O)N[N+](=O)c1c(N)nc(N)nc1OCC1CCCCC1	377848808	XCBKPRFAABHSEP-UHFFFAOYSA-O	310.338	0.594	50	1	DCGF	
C[C@@H](O)[C@@H](NC(=O)N(CCCl)N=O)C(=O)NCCCl	28229565	XMUQFNMKQABQEL-RNFRBKRXSA-N	315.157	0.023	50	1	DCGF	
COC1=CC=C/C(=C\NNC(=O)C(=O)N2CCCCCC2)C1=O	15885247	BVBSYTXYLBFJKD-VAWYXSNFSA-N	319.361	0.563	50	3	DCGF	
C[C@H](O)[C@@H]1C[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2[C@@]13O[C@@H]3[C@@H](Cl)[C@@]2(C)O	2356783512	LOWSMPMMYHYTFB-RYMPJDIQSA-N	316.781	0.691	50	1	DCGF	
COC(=O)c1c(CCl)cc(O)c(=O)c(O)c1C(=O)OC	299819605	ATLBKNWYWHTRKI-UHFFFAOYSA-N	302.666	0.770	50	1	DCGF	
O=C1C[C@]2(O)C=C(Br)C(=O)[C@H](Br)[C@@H]2N1	13384247	VVZJKQLWAKOCHC-APQOSEDMSA-N	324.956	0.231	50	1	DCGF	biogenic
Cc1cn([C@@H]2C[C@H](O)[C@H](CCC(=O)CCl)O2)c(=O)[nH]c1=O	40720227	XDEKSLTXDUBITR-DCAQKATOSA-N	316.741	0.082	50	1	DCGF	
O=C(NN/C=C1\C(=O)NC(=S)N=C1O)Nc1ccccc1	96930158	HIUCNIMSNNACIS-UHFFFAOYSA-N	305.319	0.568	50	1	DCGF	
O=C(Cn1cnc([N+](=O)[O-])n1)N/N=C/c1cc(Cl)ccc1O	196026	NBDXUAUEIZTLKS-LNKIKWGQSA-N	324.684	0.696	50	1	DCGF	
COC1=C/C(=C/NNC(=O)c2nc(C)cc(C)n2)C=CC1=O	17185725	NVFUMYDMULBVTM-DHZHZOJOSA-N	300.318	0.881	50	3	DCGF	
C[C@@H]1CC[C@@H]2[C@](O)(CO)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4	43278865	URUDALISAQCCKK-AMWJMBAYSA-N	314.334	0.482	50	1	DCGF	
NNC(=O)[C@H]1CCCN([C@H]2CS(=O)(=O)c3ccccc32)C1	957936818	BQWREDKARGAZTR-JQWIXIFHSA-N	309.391	0.217	50	1	DCGF	
COC#C[C@@]1(C)O[C@@H]2OC(=O)N(C(=O)CCl)[C@@H]2CC1=O	29235238	RQIDPGTUVKDBAS-INNHCVQGSA-N	301.682	0.254	50	1	DCGF	
COC[C@@H]1C(=O)O[C@@H]2C=C(C=O)CC[C@@H]3O[C@]3(C)C[C@H](O)[C@H]21	2356378770	WBPLUYPNVJIDLO-GNVXKGRQSA-N	310.346	0.618	50	1	DCGF	
C[C@]1(C(=O)NN)C(=O)Nc2cc3nc(-c4ccncc4)[nH]c3cc21	28260829	YVXWETMTHPARMJ-MRXNPFEDSA-N	322.328	0.825	50	1	DCGF	
CCOC1=CC=C/C(=C\NNC(=O)C[C@@H]2C(=O)NN=C2C)C1=O	104033452	VKWNJDLSDOGUIA-UQSGXBNBSA-N	318.333	0.062	50	3	DCGF	
COC(=O)C[C@@H]1COCC[C@@H](CC(=O)OC)C(=O)OC(=O)C1	2356838732	MCPQSWSJBAOZSJ-UWVGGRQHSA-N	316.306	0.225	50	1	DCGF	
OB(O)c1cccc([C@@]2(C3CC3)NCCc3ccc(O)cc32)c1	963342642	QYFDBURBLILVHQ-GOSISDBHSA-N	309.174	0.871	50	1	DCGF	
C/C(Cn1nnc([N+](=O)[O-])n1)=N/NC(=O)c1ccc(C)cc1	13118699	JVZFFWGDNCFCIS-LCYFTJDESA-N	303.282	0.696	50	1	DCGF	
C/C(CC(=O)Nc1cc(C)ccn1)=N\NC(=O)C(=O)NC(C)C	4697913	LCRLERXJUJQUAZ-YBFXNURJSA-N	319.365	0.735	50	3	DCGF	
[N-]=[N+]=N[C@@H](CCl)c1cn(CCC(CO)CO)c(=O)[nH]c1=O	27429077	NMHIHYDZSKBGJH-VIFPVBQESA-N	317.733	0.118	50	1	DCGF	
Cn1nnnc1SCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	95563019	KMRLOFQMFWZIAB-WUXMJOGZSA-N	321.322	0.361	50	1	DCGF	
Cc1cc(B(O)O)cc([C@@H]2NCCc3ccc(O)cc32)c1F	963341168	MBBPNROXBIGUGB-MRXNPFEDSA-N	301.126	0.755	50	1	DCGF	
O=C(CNC12CC3CC(CC(C3)C1)C2)N1CCC[C@H]1B(O)O	170109272	PDSFQJYJMMJUTN-IXUJDMMCSA-N	306.215	0.548	50	1	DCGF	
C=CCSSC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O	15261315	VTEHWEWRSAXLHY-JGVFFNPUSA-N	322.408	0.315	50	1	DCGF	endogenous,in-man
O=C(N/N=C/c1ccc(Cl)cc1B(O)O)c1ccncc1	1857651714	QBBRJRBJRJFLNR-CAOOACKPSA-N	303.514	0.179	50	1	DCGF	
Cc1cc(S(N)(=O)=O)c(S[C@H](C)C(=O)NN)cc1Cl	40424089	ZOBRJIOAKOJEHA-ZCFIWIBFSA-N	323.827	0.766	50	1	DCGF	
O=C(O)CCNC(=O)NNC(=O)CCCCNc1ccccn1	29562383	VOSJRIACMLQZAZ-UHFFFAOYSA-N	323.353	0.469	50	1	DCGF	
Cc1c(/C=N/NC(=O)c2cnn(-c3ccccc3)c2)no[n+]1[O-]	73295975	HBEZDPSEPHVQJO-OVCLIPMQSA-N	312.289	0.566	50	1	DCGF	
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](CCl)O2)cc1CCCCl	29404892	YKUKQBOEZCQEEQ-AEJSXWLSSA-N	323.176	0.595	50	1	DCGF	
CN(C)CCSSCCNC(=O)CN1CCN(C)CC1	618009660	GWAFHCVLEZYSIN-UHFFFAOYSA-N	320.528	0.293	50	1	DCGF	
O=C(Cc1ccc(O)cc1)NNCc1ccc(O)c(O)c1O	1772616315	NWVHPGSGPYVLIE-UHFFFAOYSA-N	304.302	0.873	50	1	DCGF	
Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]c(=O)[nH]c(=O)c32)s1	5547724	BTEIFKGQNWPKHN-MRVPVSSYSA-N	302.315	0.651	50	1	DCGF	
Cc1cc(C)n(CC(=O)NN/C=C2\C=C([N+](=O)[O-])C=CC2=O)n1	13123228	WRPDBZIDOZRNLQ-YRNVUSSQSA-N	317.305	0.304	50	3	DCGF	
O=C(O)[C@]1(O)C=C([C@H](Cl)Cc2ccccc2)[C@@H](O)[C@H](O)C1	169309770	QMQNCCFRKZZYHM-BHPKHCPMSA-N	312.749	0.704	50	1	DCGF	
O=C(Cc1ccccc1)NN/C=c1/ccc2c(n1)C(=O)C=CC=2	100563186	IUBTTYUVQMQTHM-QINSGFPZSA-N	305.337	0.216	50	3	DCGF	
OB(O)c1cccc([C@]2(C3CC3)NCCc3ccc(O)cc32)c1	963342643	QYFDBURBLILVHQ-SFHVURJKSA-N	309.174	0.871	50	1	DCGF	
O=C(CNC(=O)c1ccco1)N/N=C/c1ccc([N+](=O)[O-])o1	3659705	XNDFZWNXKOKHEV-MKMNVTDBSA-N	306.234	0.661	50	1	DCGF	
C=C1[C@H]2O[C@H](OC)[C@H]3[C@@]1(O)C[C@H](OC(C)=O)[C@@]3(CCl)O2	2356338661	ASVGPKHKCRLGBZ-MCDVFOBDSA-N	304.726	0.562	50	1	DCGF	
O=C(NNC(=O)c1ccncc1)C(=O)Nc1ccccc1O	1857569273	RZQLBEXJGMJDIQ-UHFFFAOYSA-N	300.274	0.187	50	1	DCGF	
CCOC(=N)[C@H]1C(C#N)=C2CCCN2[C@]1(O)N1CCOCC1	103168188	YKTGELIFPVBULJ-UKRRQHHQSA-N	306.366	0.482	50	1	DCGF	
N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)c1n[nH]c(O)n1	1857561132	JNOSGZAKZJLFRZ-LZCJLJQNSA-N	317.217	0.620	50	1	DCGF	
C=C1[C@H]2O[C@H](OCC)[C@@H]3[C@](CCl)(O2)[C@@H](OC(C)=O)C[C@]13O	64527522	NRJFYYSNYKMATB-LQSBQDLSSA-N	318.753	0.952	50	1	DCGF	
COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@H]2C[C@H]1[C@H]3I	17189764	VIPICYHXHUTBCQ-PSGKDBJXSA-N	322.098	0.771	50	1	DCGF	
COC(=O)CS(=O)(=O)C[C@@]1(C)OO[C@@H]2C[C@H]1CC[C@@]2(C)O	43284652	WWOZIHNLRRLPNV-FPQZTECRSA-N	322.379	0.214	50	1	DCGF	
CCCCNC(=O)C(=O)N/N=C\c1ccc(C(=O)OC)cc1	33939622	GLINAKXENGYSQL-YVLHZVERSA-N	305.334	0.840	50	1	DCGF	
CN(C)c1ccc(/C=N/NC(=O)CSc2nnnn2C)cc1	95557920	VYQJCCXPWUALHS-RIYZIHGNSA-N	319.394	0.519	50	1	DCGF	
COC(=O)CS(=O)(=O)C[C@]1(C)OO[C@@H]2C[C@H]1CC[C@@]2(C)O	43799700	WWOZIHNLRRLPNV-WFFHOREQSA-N	322.379	0.214	50	1	DCGF	
Cc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]c(=O)[nH]c(=O)c32)s1	5547727	BTEIFKGQNWPKHN-QMMMGPOBSA-N	302.315	0.651	50	1	DCGF	
Cc1ccc(S(=O)(=O)/N=C(\O)N/C(C#N)=C(\N)C#N)cc1	64526783	MWYDOQNLINQMTP-KHPPLWFESA-N	305.319	0.405	50	1	DCGF	
CSS[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO	26574659	HNWDKYWRMBQFDI-HRDYMLBCSA-N	304.393	0.505	50	1	DCGF	
C[C@H](N)C(=O)NNC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](C)N1	72107788	HFRVTJUYEYOKSP-RVBZMBCESA-N	315.377	0.238	50	1	DCGF	
NC(=O)NC(=O)c1ccc(F)c(NC(=O)CBr)c1	40424963	JXSUGFDAJBJUDB-UHFFFAOYSA-N	318.102	0.968	50	1	DCGF	
O[C@@H]([C@H](O)N1CCCc2ccccc21)[C@H](O)Br	254044513	GRLYEYUNMMNAKQ-WOPDTQHZSA-N	302.168	0.832	50	1	DCGF	
CC(C)(CBr)NC[C@H](O)Cn1ccnc1[N+](=O)[O-]	26579448	QZURNHYLBOPGBW-QMMMGPOBSA-N	321.175	0.915	50	1	DCGF	
C=C1[C@H]2O[C@@H](OCC)[C@H]3[C@@]1(O)C[C@H](OC(C)=O)[C@@]3(CCl)O2	2356585384	NRJFYYSNYKMATB-QEHJDLSMSA-N	318.753	0.952	50	1	DCGF	
Cn1c(N)c(C(=O)CCl)c(=O)n(Cc2ccccc2)c1=O	8830533	FULPZUISZUKLQB-UHFFFAOYSA-N	307.737	0.599	50	3	DCGF	
COc1ccc(/C=N/NC(=O)c2no[n+]([O-])c2C)cc1OC	73296321	IAFNCWJNQLQDAJ-VGOFMYFVSA-N	306.278	0.398	50	1	DCGF	
O=CNNC(=O)c1cccn1S(=O)(=O)c1ccccc1F	6567931	GYQCECVLJMBTJD-UHFFFAOYSA-N	311.294	0.255	50	1	DCGF	
CC(=O)C1=C(O)/C(=C(\O)Nc2cccc(N)c2)C(=O)OC1=O	169336623	RVRUZQRZGZSMMK-ZRDIBKRKSA-N	304.258	0.935	50	1	DCGF	
[N-]=[N+]=N[C@H](CCl)c1cn(CCC(CO)CO)c(=O)[nH]c1=O	27429072	NMHIHYDZSKBGJH-SECBINFHSA-N	317.733	0.118	50	1	DCGF	
C[C@H](NC(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)O	1857618876	HKBDAOPASNHUNF-YYHMDIAISA-N	321.245	0.502	50	1	DCGF	
CC(C)NC(=O)c1cn(CCCl)nc1OS(C)(=O)=O	103175162	KWZLKGFTMAYROO-UHFFFAOYSA-N	309.775	0.599	50	1	DCGF	
COC(=O)NN/C=C1\C=C([N+](=O)[O-])C=C(Br)C1=O	13126338	PYIQQGNKHPKBEO-SNAWJCMRSA-N	318.083	0.753	50	3	DCGF	
O=C(c1ncn2c(=O)n(CCCl)nnc12)N1CCCCC1	27188707	CGUOOAJNXYGEFB-UHFFFAOYSA-N	310.745	0.151	50	1	DCGF	
O=C1C=C/C(=C\NNC(=O)CNC(=O)c2cccs2)C(O)=C1	13119302	BFOBNFYCSOLCAT-VQHVLOKHSA-N	319.342	0.563	50	3	DCGF	
CC(=O)O[C@@H]1[C@H](Br)[C@H](O)O[C@H](C)[C@H]1OC(C)=O	29309965	CXAHDWADUSTGGU-WVHNWXHQSA-N	311.128	0.350	50	1	DCGF	
O=C(NNC(=O)[C@@H]1C[C@H](C(=O)O)[C@@H]2CC=C[C@H]12)c1ccncc1	1857618586	DMHQBNNMZNIYPD-LOWDOPEQSA-N	315.329	0.756	50	1	DCGF	
Cc1cc([N+](=O)[O-])nn1CC(=O)NN/C=C1\C=CC(=O)C=C1O	13126264	UDYJPFSIOMTJNS-RMKNXTFCSA-N	319.277	0.185	50	3	DCGF	
C=C1[C@H]2O[C@H](OC)[C@H]3[C@@]1(O)C[C@@H](OC(C)=O)[C@@]3(CCl)O2	2356338659	ASVGPKHKCRLGBZ-JIMTYQMOSA-N	304.726	0.562	50	1	DCGF	
CC[C@@H](C(N)=O)N1C[C@H](CI)CC1=O	13559078	MUAFOMJSWIWBTJ-BQBZGAKWSA-N	310.135	0.534	50	1	DCGF	
NNC(=O)CSc1nnc2ccc(-c3ccccc3)nn12	143094198	SJPCDEGPSWGKNA-UHFFFAOYSA-N	300.347	0.873	50	1	DCGF	
NC(=O)NC(=O)c1cccc(NC(=O)CBr)c1	7695	ROTXPDBINYTRPW-UHFFFAOYSA-N	300.112	0.829	50	1	DCGF	
O=C(NNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccccc1	13466234	OIQGZWBQLJOIID-MROQNXINSA-N	300.314	0.971	50	1	DCGF	
O=C(NNC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O)c1ccccc1O	169310240	JEZDCPHWGIMNMF-GAQJKIJGSA-N	316.313	0.676	50	1	DCGF	
C=C1[C@H](O)C[C@@H]2[C@](O)(CCl)C[C@@H]3OC(=O)[C@H](C)[C@H]3C[C@@]12O	2356779162	NAVPGMZDCRNXQS-ABFGZRONSA-N	316.781	0.596	50	1	DCGF	
NNC(=O)c1cn(COCCO)c2ccc(Cl)cc2c1=O	43022140	VVNJJWPIXYMCAF-UHFFFAOYSA-N	311.725	0.225	50	1	DCGF	
C=C1[C@H]2O[C@@H](OC)[C@@H]3[C@](CCl)(O2)[C@@H](OC(C)=O)C[C@]13O	64527523	ASVGPKHKCRLGBZ-LVTVNPDKSA-N	304.726	0.562	50	1	DCGF	
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)C[C@@H]1Br	26172404	FPZFSLXDWDTIOO-VGIXGZPDSA-N	314.143	0.452	50	1	DCGF	
O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2)c1ccccc1	5731378	OIQGZWBQLJOIID-RNJOBUHISA-N	300.314	0.971	50	1	DCGF	
CC(=O)N/N=C\C1=CC(C(C)C)=C/C(=C\NNC(C)=O)C1=O	34209014	AWALXROHRXWNNL-IGZPSHKNSA-N	304.350	0.724	50	1	DCGF	
O=C(NO)c1ccc(C(=O)N/N=C/c2ccc(O)c(O)c2)cc1	95808625	WKSNDXDYVLUJPR-LZYBPNLTSA-N	315.285	0.981	50	1	DCGF	
COc1ccc(/C=N/NC(=O)CSc2nnnn2C)cc1	95563649	JWDREPQULSBIDG-NTUHNPAUSA-N	306.351	0.461	50	1	DCGF	
C[C@H]1O[C@@H](Oc2ccc(CN=C=S)cc2)[C@@H](O)[C@@H](O)[C@H]1O	34386040	QAZIHHJTZPNRCM-DZDQQLMUSA-N	311.359	0.496	50	1	DCGF	in-man
Cc1[nH]cnc1C(=O)N/N=C/c1c(-c2ccccc2)no[n+]1[O-]	73295971	BQLXZNLDFWFSKJ-REZTVBANSA-N	312.289	0.770	50	1	DCGF	
CC(=O)C1=C(O)/C(=C(\O)Nc2cc(O)ccc2N)C(=O)OC1=O	169336491	LRWQBAUSAYXHOH-ZRDIBKRKSA-N	320.257	0.640	50	1	DCGF	
N#C/C(C(=O)NC1CC1)=C(/N)c1cc(O)c(O)c([N+](=O)[O-])c1	1857588958	MZENLCAHBLKWPN-FLIBITNWSA-N	304.262	0.478	50	1	DCGF	
CC1(C)CC(=O)C=C(NCC(=O)NNC(=O)NCCCl)C1	101797285	UDNNIIYEUWEOJM-UHFFFAOYSA-N	316.789	0.418	50	1	DCGF	
C=CCNC(=S)NNC(=O)Cc1nc2ccccc2[nH]c1=O	103272647	PBCZDOFDUPTBHU-UHFFFAOYSA-N	317.374	0.147	50	1	DCGF	
Cc1cc([N+](=O)[O-])nn1CC(=O)NN/C=C1\C=CC=CC1=O	13126288	SUPQVIRZEMCOBJ-JXMROGBWSA-N	303.278	0.300	50	3	DCGF	
CCOC(=O)N/N=C1\C(=O)N(CC(=O)OC)c2ccccc21	103405346	FAMQHOPGFFNSMY-QINSGFPZSA-N	305.290	0.656	50	3	DCGF	
C[C@H](Br)C(=O)Nc1ccc(C(=O)NC(N)=O)o1	40429973	RVFQKNJMARBNLV-BYPYZUCNSA-N	304.100	0.810	50	1	DCGF	
O[C@@H](Br)[C@H](O)[C@@H](O)N1CCCc2ccccc21	169355061	GRLYEYUNMMNAKQ-QJPTWQEYSA-N	302.168	0.832	50	1	DCGF	
CCOC(=O)C1=C(C)NC(=O)N(P2(=O)NCCCN2)[C@@H]1C	84729188	CEBDDQIMJOUOIP-SECBINFHSA-N	316.298	0.928	50	1	DCGF	
CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(F)c(F)c1)B(O)O	195299487	ICZZVHUDZAYDGB-STQMWFEESA-N	314.141	0.378	50	1	DCGF	
N#CC1=C(NCCO)[C@@H]2Cc3cc(O)c(O)cc3O[C@@H]2CC1=N	34804447	WHKGFGSOXUPIAT-RFAUZJTJSA-N	315.329	0.801	50	1	DCGF	
Cc1cn([C@@H]2C[C@@H](O)[C@@H](CCC(=O)CCl)O2)c(=O)[nH]c1=O	27738068	XDEKSLTXDUBITR-MXWKQRLJSA-N	316.741	0.082	50	1	DCGF	
CN(C)CCSSCCNC(=O)c1ccc[n+]([O-])c1	618007755	HIMHIRKVBGACDO-UHFFFAOYSA-N	301.437	0.993	50	1	DCGF	
C=CCSSC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)O	15261318	VTEHWEWRSAXLHY-HTQZYQBOSA-N	322.408	0.315	50	1	DCGF	endogenous,in-man
CC(C)(NC(=O)CCl)c1nc2c(O)nc(S)nc2[nH]1	587009479	HMZSZOATPWVKHZ-UHFFFAOYSA-N	301.759	0.937	50	1	DCGF	
O=C1NC(=O)[C@@H]2[C@H]1[C@H]1O[C@H]2[C@H](Br)[C@H]1Br	263591103	AHULPADMYFKORI-WFCWIPFCSA-N	324.956	0.183	50	3	DCGF	
CC(C)(C)OC(=O)[C@@H]1N2C(=O)[C@H](Cl)[C@H]2S(=O)(=O)C1(C)C	26169793	FHCQOGAGQOBAHB-ACLDMZEESA-N	323.798	0.679	50	1	DCGF	
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1B(O)O	200437279	OUEOQVNIZXIBTN-JSGCOSHPSA-N	301.155	0.041	50	1	DCGF	
C=C1C[C@H](O)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@H](O)[C@]2(O)CCl	13386684	YIFQICREHIVCKL-ASBIXWSPSA-N	314.765	0.372	50	1	DCGF	biogenic
C[C@@]12OC(=O)[C@]1([C@@H](O)C1CCCC1)NC(=O)[C@@H]2CCCl	49045335	ZBSYFHIRLRIMMB-NUZBWSBOSA-N	301.770	0.967	50	1	DCGF	
N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)N1C=NCC1	1857568662	ZKZJFRNCSLPEQB-YCRREMRBSA-N	302.246	0.783	50	1	DCGF	
NC(=O)NC(=O)c1csc(NC(=O)CBr)c1	40428962	ZPBHWQAHKMZRLB-UHFFFAOYSA-N	306.141	0.890	50	1	DCGF	
CCOC(=O)C1=C(C)NC(=O)N(P2(=O)NCCCN2)[C@H]1C	84729191	CEBDDQIMJOUOIP-VIFPVBQESA-N	316.298	0.928	50	1	DCGF	
C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@]13O[C@H]1[C@H](Cl)[C@@](C)(O)[C@H]23	13386000	LSJACVRYYGZXIP-WZXDADOBSA-N	314.765	0.755	50	1	DCGF	
C=C1C(=O)O[C@H]2[C@H]1CC[C@](C)(O)[C@]13O[C@H]1[C@H](Cl)[C@](C)(O)[C@H]23	49052939	LSJACVRYYGZXIP-CJGKHJOQSA-N	314.765	0.755	50	1	DCGF	biogenic,in-vitro
O=C(CCCCC(=O)N/N=C/c1ccc(O)c(O)c1O)NO	95809389	OLTSCLPDVIILTO-VGOFMYFVSA-N	311.294	0.319	50	1	DCGF	
NCCCC(=O)NCCSSCCNC(=O)CCCN	5178461	FWZFEHNPIFBMMX-UHFFFAOYSA-N	322.500	0.078	50	1	DCGF	
C=C1[C@H]2O[C@H](OCC)[C@H]3[C@@]1(O)C[C@H](OC(C)=O)[C@@]3(CCl)O2	2356585385	NRJFYYSNYKMATB-SNIKSBKOSA-N	318.753	0.952	50	1	DCGF	
CN1CCN(c2ncn(C[C@@H](O)CCl)c2[N+](=O)[O-])CC1	40406726	UBCXADYANGCHJL-VIFPVBQESA-N	303.750	0.143	50	1	DCGF	
Cc1cn([C@@H]2C[C@@H](O)[C@H](CCl)O2)c(=O)nc1-n1cncn1	3653318	PDTYFSKQWVDABZ-UTLUCORTSA-N	311.729	0.020	50	1	DCGF	
COc1cccc(C=C[C@H](O)[C@H](O)[C@@H](O)[C@H](C)Cl)c1CO	2356723212	BLOBGGKUYRGHEO-HLHNXRDNSA-N	316.781	0.911	50	1	DCGF	
COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](I)[C@@H]1C[C@@H]32	254193976	VIPICYHXHUTBCQ-LHUYJCHPSA-N	322.098	0.771	50	1	DCGF	
CCCNC(=S)NNC(=O)Cn1c(=O)oc2ccc(C)cc21	28868858	WLIWVDQNZBFZCH-UHFFFAOYSA-N	322.390	0.808	50	1	DCGF	
Cc1cc(C)n(CCC(=O)NN/C=C2\C=CC(=O)C=C2O)n1	13126349	BHGDHBSQQZATQR-FMIVXFBMSA-N	302.334	0.976	50	3	DCGF	
O=C(NNC(=O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)O)c1ccccc1	101150117	OIQGZWBQLJOIID-NDBYEHHHSA-N	300.314	0.971	50	1	DCGF	
N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)NCC(=O)O	1857556556	LIJCYMPNABJGLM-LREOWRDNSA-N	307.218	0.114	50	1	DCGF	
CCn1cc(C(=O)NNC(=N)N)c(=O)c2cc(OC)ccc21	29544947	WIUZKOSOEPVNGR-UHFFFAOYSA-N	303.322	0.158	50	1	DCGF	
COC(=O)CS(=O)(=O)C[C@@]1(C)OO[C@H]2C[C@H]1CC[C@@]2(C)O	169328956	WWOZIHNLRRLPNV-LYIQGSDWSA-N	322.379	0.214	50	1	DCGF	
O=C(O)C(=O)N[C@@H](CSSc1ccncc1)C(=O)O	84651862	CQGFTJRMPMXEPD-ZETCQYMHSA-N	302.333	0.476	50	1	DCGF	
NNC(=O)c1ccc2nc([C@H](N)Cc3cscn3)[nH]c2c1	587029610	RDXIVXPRUONFDE-SECBINFHSA-N	302.363	0.865	50	1	DCGF	
O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@@H](CCl)O2)cc1CCCCl	29404894	YKUKQBOEZCQEEQ-OPRDCNLKSA-N	323.176	0.595	50	1	DCGF	
Cc1c/c(=N/NC(=O)c2ccncc2)n2nc(N)sc2n1	1650556	LXAYKHDSCCRMFN-SXGWCWSVSA-N	301.335	0.322	50	1	DCGF	
Nc1ccccc1SSC[C@H](NC(=O)C(=O)O)C(=O)O	84757395	AZBHTPGZFOKUIY-ZETCQYMHSA-N	316.360	0.663	50	1	DCGF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)CC(=C)[C@H]1[C@@H]2[C@](O)(CCl)C[C@H]1O	2356575930	ICMGGJICNZTFKZ-TVOPQIJMSA-N	314.765	0.372	50	1	DCGF	
C[C@@H](c1nc2ccc(C(=O)NN)cc2[nH]1)n1cc([N+](=O)[O-])cn1	587276850	OBEPKLVLHLLBDF-ZETCQYMHSA-N	315.293	0.880	50	1	DCGF	
COC(=O)CS(=O)(=O)C[C@]1(C)OO[C@H]2C[C@H]1CC[C@]2(C)O	210622706	WWOZIHNLRRLPNV-URBCHYCLSA-N	322.379	0.214	50	1	DCGF	
C[C@@H]1O[C@@H](Oc2ccc(CN=C=S)cc2)[C@@H](O)[C@@H](O)[C@@H]1O	14443904	QAZIHHJTZPNRCM-DRLPCLEQSA-N	311.359	0.496	50	1	DCGF	endogenous,in-man
O=C(O)C(=O)N[C@@H](CSSc1cccc(O)c1)C(=O)O	84670614	JUIJGOKGKALMQJ-QMMMGPOBSA-N	317.344	0.787	50	1	DCGF	
C[C@@H]1CC[C@@H]2[C@](O)(CO)C(=O)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4	101480838	URUDALISAQCCKK-PJHNLYFNSA-N	314.334	0.482	50	1	DCGF	
C=C1C[C@@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1[C@H](O)C[C@@]2(O)CCl	238731927	ICMGGJICNZTFKZ-VDTSDGDJSA-N	314.765	0.372	50	1	DCGF	
COC[C@@H]1C(=O)O[C@@H]2C=C(C=O)CC[C@@H]3O[C@]3(C)C[C@H](O)[C@@H]21	2356378769	WBPLUYPNVJIDLO-ADTJTSRMSA-N	310.346	0.618	50	1	DCGF	
OB(O)c1ccc([C@H]2NCCc3ccc(O)cc32)cc1Cl	963341150	LSPKMIGQWRHVMF-OAHLLOKOSA-N	303.554	0.961	50	1	DCGF	
CN(C)CCSSCCCNC(=O)[C@@H]1CNC(=O)C1	618009798	JSMSZBUUQMLDPX-JTQLQIEISA-N	305.469	0.572	50	1	DCGF	
Nc1cc2nc(CCNC(=O)CBr)[nH]c2cc1N	586970452	BFCCAFCYDAETIL-UHFFFAOYSA-N	312.171	0.781	50	1	DCGF	
N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)Nc1nc[nH]n1	1857580050	MOYKJPJJQMGJBK-LREOWRDNSA-N	316.233	0.670	50	1	DCGF	
O=C(Cn1cnc([N+](=O)[O-])n1)N/N=C/[c-]1cc(Cl)ccc1=O	169689137	KGLPYTGFSYXDGE-LNKIKWGQSA-N	323.676	0.069	50	1	DCGF	
Cc1cc(C)n2nc(C(=O)NNC=C3C=CC(=O)C=C3)nc2n1	13126800	WHJPAFYMLXITFS-UHFFFAOYSA-N	310.317	0.555	50	3	DCGF	
CCOC1=C/C(=C/NNC(=O)c2ccc(=O)n(C)c2)C=CC1=O	13124266	BCSVSHZQHOOBFY-PKNBQFBNSA-N	315.329	0.563	50	3	DCGF	
CCCCNC(=O)N/N=C/c1c(C)[n+]([O-])c2ccccc2[n+]1[O-]	150572789	CXJFEBJCUTYSAD-LICLKQGHSA-N	317.349	0.848	50	1	DCGF	
CCOC(=N)[C@@H]1C(C#N)=C2CCCN2[C@@]1(O)N1CCOCC1	169301792	YKTGELIFPVBULJ-ZFWWWQNUSA-N	306.366	0.482	50	1	DCGF	
C[Si](C)(C)O[C@H]1CC(=O)O[C@@H]1n1cc(F)c(=O)[nH]c1=O	195486862	VUNMNCXPWSZIGW-XVKPBYJWSA-N	302.334	0.341	50	1	DCGF	
O=C(CBr)NCCc1nc2cnnc(O)c2[nH]1	586970871	HWXXPNSJQIZNQQ-UHFFFAOYSA-N	300.116	0.112	50	1	DCGF	
C=C1[C@H]2O[C@H](OC)[C@@H]3[C@](CCl)(O2)[C@@H](OC(C)=O)C[C@]13O	64527700	ASVGPKHKCRLGBZ-RHIYVLOFSA-N	304.726	0.562	50	1	DCGF	
COC(=O)[C@H](C[S@](=O)CCCCN=C=S)NC(C)=O	1857581005	TYYSLKDRJZWTGP-APBUJDDRSA-N	306.409	0.296	50	1	DCGF	
CC(=O)O[C@@H]1[C@@H](Br)[C@H](O)O[C@H](C)[C@H]1OC(C)=O	29309975	CXAHDWADUSTGGU-GKKUVZKPSA-N	311.128	0.350	50	1	DCGF	
O=C1OC(=O)[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)NC(=O)[C@H]3[C@H]12	299806690	LBJMURZASRZFHN-XWLWVQCSSA-N	310.265	0.321	50	1	DCGF	
COc1cccc(/C=N\NC(=O)C[C@@H]2C(=O)NN=C2C)c1OC	100507048	IEKSNWLPWSVWBT-FSKGUYTJSA-N	318.333	0.666	50	1	DCGF	
COc1ccc(C(=O)NN/C=C2\C(=O)NC(=O)N=C2C)cc1	13126754	GIQIIPZKDLAEJE-XFFZJAGNSA-N	302.290	0.524	50	3	DCGF	
N#CC1=C(NCCO)[C@H]2Cc3cc(O)c(O)cc3O[C@H]2C=C1N	101006075	VDJWANADLYXZJL-VFZGTOFNSA-N	315.329	0.233	50	1	DCGF	
CC(C)C[C@H](NC(=O)c1cn(-c2ccccc2)nn1)B(O)O	1857598908	IHGSYSKPSPTWGD-ZDUSSCGKSA-N	302.143	0.424	50	1	DCGF	
COc1cccc(/C=N/NC(=O)CSc2nnnn2C)c1	95559994	CMWNKRHMMGZCCJ-NTUHNPAUSA-N	306.351	0.461	50	1	DCGF	
C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@@]13O[C@@H]1[C@H](Cl)[C@@](C)(O)[C@H]23	238762055	LSJACVRYYGZXIP-LXXZKTJXSA-N	314.765	0.755	50	1	DCGF	biogenic
Cn1c(NNC(=O)c2c(F)cccc2F)cc(=O)n(C)c1=O	2706510	QVONDIKDXJVFGF-UHFFFAOYSA-N	310.260	0.119	50	3	DCGF	
CC(C)OC(=O)[C@@H]1N2C(=O)[C@H](Cl)[C@H]2S(=O)(=O)C1(C)C	26167275	SXLIKSDCIRGCSR-ACLDMZEESA-N	309.771	0.289	50	1	DCGF	
CCCCNC(=O)N/N=C/c1ccc2c(c1)[n+]([O-])cc[n+]2[O-]	150570802	JHKUUQQJXNKZSS-MHWRWJLKSA-N	303.322	0.540	50	1	DCGF	
C[Si](C)(C)O[C@H]1CC(=O)O[C@H]1n1cc(F)c(=O)[nH]c1=O	195486872	VUNMNCXPWSZIGW-OIBJUYFYSA-N	302.334	0.341	50	1	DCGF	
COC1=CC=C/C(=C\NNC(=O)C(=O)NCc2ccco2)C1=O	13122572	XUKWHFOTUUUJPA-CSKARUKUSA-N	317.301	0.070	50	3	DCGF	
Cc1cn([C@@H]2C[C@H](O)[C@@H](CCC(=O)CCl)O2)c(=O)[nH]c1=O	27738081	XDEKSLTXDUBITR-AXFHLTTASA-N	316.741	0.082	50	1	DCGF	
CC(=O)N[C@H](COCCN=C=S)C(=O)NCc1ccccc1	49111757	QNAZIVJLGKDJPL-CQSZACIVSA-N	321.402	0.927	50	1	DCGF	
C[C@@H]1CC[C@@H]2[C@](O)(CO)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4	43278861	URUDALISAQCCKK-AUTHNMGKSA-N	314.334	0.482	50	1	DCGF	
O=C(CC[C@H](CC(=O)C(=O)O)C(=O)O)NNc1ccccc1	95594847	BDQOZJTUMLJXCX-SECBINFHSA-N	308.290	0.655	50	1	DCGF	
OC[C@H]1O[C@@H](SSCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O	96928109	QBQGHUWKYXMVED-SJHCENCUSA-N	318.416	0.368	50	1	DCGF	
COc1ccccc1/C=N/NC(=O)CSc1nnnn1C	95562204	FCRHRKNRUBKHDD-NTUHNPAUSA-N	306.351	0.461	50	1	DCGF	
C=C1C(=O)O[C@@H]2[C@@H]1CC[C@@](C)(O)[C@@]13O[C@@H]1[C@@H](Cl)[C@@](C)(O)[C@@H]23	238748789	LSJACVRYYGZXIP-LKRWCVNNSA-N	314.765	0.755	50	1	DCGF	
NNC(=O)c1nnc2n(c1=O)CCN2c1cccc(Cl)c1	40972419	RLYAMHUREYJKOB-UHFFFAOYSA-N	306.713	0.047	50	1	DCGF	
Cc1c(C(=O)N[C@@H](CC(C)C)B(O)O)nnn1-c1ccccc1	1857534558	GFMNVWASCVSUEJ-ZDUSSCGKSA-N	316.170	0.732	50	1	DCGF	
COC(=O)CS(=O)(=O)C[C@@]1(C)OO[C@H]2C[C@@H]1CC[C@@]2(C)O	169328955	WWOZIHNLRRLPNV-YRRQLQLVSA-N	322.379	0.214	50	1	DCGF	
Cc1cc(B(O)O)cc([C@H]2NCCc3ccc(O)cc32)c1F	963341167	MBBPNROXBIGUGB-INIZCTEOSA-N	301.126	0.755	50	1	DCGF	
O=C(O)C(=O)N[C@@H](CSSc1ccc(O)cc1)C(=O)O	84669393	IHVYJXGZLDLQPH-QMMMGPOBSA-N	317.344	0.787	50	1	DCGF	
O=S(=O)(Cc1ccccc1)N[C@@H](Cc1ccccc1)B(O)O	195383563	KGHJUIDNHJKOCX-HNNXBMFYSA-N	319.191	0.729	50	1	DCGF	
O=C(NO)c1cccc(C(=O)N/N=C/c2ccc(CO)o2)c1	95809709	BPZICMJQCUXTCA-VIZOYTHASA-N	303.274	0.655	50	1	DCGF	
Cc1c(C(=O)NN)nnn1Nc1ccc(Br)cc1	43078464	QSUIOICXLKCPGE-UHFFFAOYSA-N	311.143	0.828	50	1	DCGF	
N#CSc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O	27081354	MRIVVOQRLBCTOK-JKMUOGBPSA-N	310.295	0.068	50	1	DCGF	
CCCCCCNNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO	1857620855	TXSORPVLLISSMH-ZDUSSCGKSA-N	317.430	0.073	50	1	DCGF	
O=CC1=CN=C(C(=O)O)CS[C@H]1c1cn2c(n1)COCC2	24768593	CTKODGPKPNVQNS-GFCCVEGCSA-N	307.331	0.810	50	1	DCGF	in-vitro
C=C1C(=O)O[C@@H]2C[C@](O)(CCl)[C@@H]3C[C@H](O)C(=C)[C@@]3(O)C[C@@H]12	13386667	PXCLIGUGCAGFAN-HRSNZQSQSA-N	314.765	0.516	50	1	DCGF	biogenic
O=C(Nc1ccccc1)c1ncn2c(=O)n(CCCl)nnc12	9755	QODFDMULPJXWGM-UHFFFAOYSA-N	318.724	0.777	50	1	DCGF	
N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)NC1COC1	1857559783	CUVWOOAXMLYOFK-UNXLUWIOSA-N	305.246	0.428	50	1	DCGF	
O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@@H](CCl)O2)cc1CCCl	29405641	UZZUOHQKNROJAN-IWSPIJDZSA-N	309.149	0.205	50	1	DCGF	
NNC(=O)c1c(NNC2=C(O)N=NC2=O)sc2c1CCC2	1857761904	SEKCCKYRCZBJSV-UHFFFAOYSA-N	308.323	0.476	50	1	DCGF	
NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)N(CCCl)N=O	27899286	YYSRJOTUYIAURB-SNVBAGLBSA-N	314.729	0.720	50	1	DCGF	
O=C1NC(=O)[C@H]2[C@H]1c1[nH]c3ccccc3c1[C@@H]1C(=O)OC(=O)[C@H]21	169292818	LBJMURZASRZFHN-YTWAJWBKSA-N	310.265	0.321	50	1	DCGF	
Cc1nc(C)c(CC(=O)NNC=C2C=CC(=O)C=C2)c(=O)[nH]1	13126559	NZPYKHZFTHLSOL-UHFFFAOYSA-N	300.318	0.129	50	3	DCGF	
COC(=O)C[C@@H]1COCC[C@H](CC(=O)OC)C(=O)OC(=O)C1	2356838733	MCPQSWSJBAOZSJ-VHSXEESVSA-N	316.306	0.225	50	1	DCGF	
CCOC(=O)C(=O)[C@@H](Cl)c1ccc2c(O)nc(O)nc2n1	587366469	NMHUWZAZHCVECV-ZETCQYMHSA-N	311.681	0.848	50	1	DCGF	
CN(C)CCSSCCCNC(=O)[C@@H]1CCC(=O)N1	618010178	RLSHLQFGCZFTGC-JTQLQIEISA-N	305.469	0.714	50	1	DCGF	
COC(=O)CS(=O)(=O)C[C@]1(C)OO[C@H]2C[C@@H]1CC[C@@]2(C)O	169370341	WWOZIHNLRRLPNV-DJIHRAIXSA-N	322.379	0.214	50	1	DCGF	
Cc1c(/C=N/NC(=O)c2ccncc2)[n+]([O-])c2ccccc2[n+]1[O-]	102845247	RYTJAJZSJULBDM-VCHYOVAHSA-N	323.312	0.574	50	1	DCGF	
Cc1ncc(CO)c(/C=N/NC(=O)c2cc[n+](C)cc2)c1O	13556311	ZMMUFCQVTZUBHU-UHFFFAOYSA-O	301.326	0.176	50	1	DCGF	
Nc1cccc(SSC[C@H](NC(=O)C(=O)O)C(=O)O)c1	84669026	YSLRFIVZAZVLSQ-QMMMGPOBSA-N	316.360	0.663	50	1	DCGF	
COc1ccc(-n2nc(C(=O)NN)c3c2-c2c[nH]nc2CC3)cc1	14945833	MZSMIVBLQXHTFG-UHFFFAOYSA-N	324.344	0.973	50	1	DCGF	
C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@]2(O)CCl)[C@H]2[C@H](C)[C@@H](O)C[C@@H]12	38355869	JQEVRUOYMIYXTA-DVRRRUSFSA-N	316.781	0.452	50	1	DCGF	
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)C[C@H]1Br	40640529	FPZFSLXDWDTIOO-OXOINMOOSA-N	314.143	0.452	50	1	DCGF	
C[C@H](O)[C@@H]1C[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@@H]2[C@](C)(O)[C@H](Cl)[C@@H]3O[C@@]132	2356783511	LOWSMPMMYHYTFB-BPSICILOSA-N	316.781	0.691	50	1	DCGF	
O=C(NN=C[C@H]1[C@H]2C[C@H](O)OC[C@H]2C[C@H]1O)c1ccncc1	1857621342	VADYCLGPEIQBAJ-MBJXGIAVSA-N	305.334	0.149	50	1	DCGF	
Cc1cc(S(N)(=O)=O)c(SCC(=O)NN)cc1Cl	45497801	MSKPXGMTTLTRPK-UHFFFAOYSA-N	309.800	0.378	50	1	DCGF	
C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@@]13O[C@@H]1[C@@H](Cl)[C@](C)(O)[C@H]23	211912829	LSJACVRYYGZXIP-YQNZPUROSA-N	314.765	0.755	50	1	DCGF	
CCOC(=O)[C@@]1(NC(=O)NNC(=O)c2ccncc2)CC1(C)C	84712733	OFKZANNULFHENO-HNNXBMFYSA-N	320.349	0.757	50	1	DCGF	
C=C1C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@@H](O)[C@]2(O)CCl	523041955	YIFQICREHIVCKL-QZNOIVSHSA-N	314.765	0.372	50	1	DCGF	biogenic
O=C(Cc1ccccc1)OC[C@H]1C[C@@H]2O[C@H]1[C@H]1C(=O)OC(=O)[C@@H]21	43628227	QWELTDMQSMRJJL-VJFWYMLFSA-N	316.309	0.875	50	1	DCGF	
CC(=O)C1=C(O)/C(=C(\O)Nc2ccc(N)c(O)c2)C(=O)OC1=O	169336156	XYOQFEKHNHQCDM-ZRDIBKRKSA-N	320.257	0.640	50	1	DCGF	
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@@H]1Br	26172401	FPZFSLXDWDTIOO-JFWOZONXSA-N	314.143	0.452	50	1	DCGF	
N#CC1=C(N)N2C(=O)CSC2=C(C(N)=O)[C@@H]1c1ccccc1	481759	MEZDCYNFLOTPOE-LLVKDONJSA-N	312.354	0.750	50	3	DCGF	
NC(=O)c1nc(C2CCCCC2)n2c(=O)n(CCCl)nnc12	27188365	DIBUJGHFHUZTOU-UHFFFAOYSA-N	324.772	0.671	50	1	DCGF	
O=C(NNC(=O)c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])o1	13649167	JKIRBWNJEHQALP-UHFFFAOYSA-N	310.178	0.764	50	1	DCGF	
CCOC(=N)[C@H]1C(C#N)=C2CCCN2[C@@]1(O)N1CCOCC1	169301793	YKTGELIFPVBULJ-HIFRSBDPSA-N	306.366	0.482	50	1	DCGF	
O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2)c1ccccc1O	101177784	JEZDCPHWGIMNMF-FQPOAREZSA-N	316.313	0.676	50	1	DCGF	
Cc1cn([C@H]2C[C@H](O)[C@@H](CCl)O2)c(=O)nc1-n1cncn1	26648746	PDTYFSKQWVDABZ-IVZWLZJFSA-N	311.729	0.020	50	1	DCGF	
CCCCCCN(NC(=O)CO)C(=O)CCC1=CCOC1=O	84653303	KMBSJQMJCFPLBD-UHFFFAOYSA-N	312.366	0.682	50	1	DCGF	
CC(=O)O[C@@H]1[C@H](Br)[C@H](O)O[C@@H](C)[C@H]1OC(C)=O	29309959	CXAHDWADUSTGGU-KKVOSJDNSA-N	311.128	0.350	50	1	DCGF	
C[C@H](O)[C@H](NC(=O)N(CCCl)N=O)C(=O)NCCCl	28229577	XMUQFNMKQABQEL-BQBZGAKWSA-N	315.157	0.023	50	1	DCGF	
COC1=C/C(=C(\C)NNC(=O)Cc2c(O)n[nH]c2C)C=CC1=O	13122691	BNHSRHDFTIKSMB-CSKARUKUSA-N	318.333	0.530	50	3	DCGF	
Cn1nnc(-c2nc3ccc(C(=O)NN)cc3[nH]2)c1C(F)F	587128801	QYCKNAOXBCSIGA-UHFFFAOYSA-N	307.264	0.900	50	1	DCGF	
Cc1cn([C@H]2C[C@H](O)[C@@H](CCC(=O)CCl)O2)c(=O)[nH]c1=O	27738089	XDEKSLTXDUBITR-HBNTYKKESA-N	316.741	0.082	50	1	DCGF	
Cc1nc2ccccn2c1C(=O)N/N=C/c1no[n+]([O-])c1C	73313116	NJNPRJPETVOQLT-VGOFMYFVSA-N	300.278	0.336	50	1	DCGF	
CCOC(=O)[C@]1(NC(=O)NNC(=O)c2ccco2)CC1(C)C	84653890	XGNZTLSOKIVLGE-CQSZACIVSA-N	309.322	0.955	50	1	DCGF	
Cc1cn([C@@H]2C[C@H](O)[C@H](CCl)O2)c(=O)nc1-n1cncn1	40457165	PDTYFSKQWVDABZ-GUBZILKMSA-N	311.729	0.020	50	1	DCGF	
CN[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O	170183240	RGYLESKLFDZGCD-CQSZACIVSA-N	300.208	0.548	50	1	DCGF	
COc1ccc(Cl)cc1C#Cc1cnn(CC(=O)NN)c1	587909033	IVFONLFWBDJITF-UHFFFAOYSA-N	304.737	0.935	50	1	DCGF	
O=C(CSc1nnc(=O)[nH]c1O)N/N=C\c1ccccc1	58991970	TUVZFKCFFQRYBB-MLPAPPSSSA-N	305.319	0.113	50	1	DCGF	
O[C@H](Br)[C@H](O)[C@@H](O)N1CCCc2ccccc21	169355062	GRLYEYUNMMNAKQ-SDDRHHMPSA-N	302.168	0.832	50	1	DCGF	
COC1=CC=C/C(=C\NNC(=O)CNC(=O)c2ccco2)C1=O	13122708	IQZTZVUPTDYXCB-CSKARUKUSA-N	317.301	0.183	50	3	DCGF	
O=C(O)C(=O)N[C@@H](CSSc1ccccc1O)C(=O)O	84670613	RODUXHPICKHPEV-LURJTMIESA-N	317.344	0.787	50	1	DCGF	
Cc1cn([C@H]2C[C@@H](O)[C@@H](CCl)O2)c(=O)nc1-n1cncn1	26648738	PDTYFSKQWVDABZ-OPRDCNLKSA-N	311.729	0.020	50	1	DCGF	
O=C1Cc2c3c(n(-c4ccnc(CCl)n4)c2O1)OC(=O)C3	587941968	ZZOADYPAOXASIK-UHFFFAOYSA-N	305.677	0.929	50	1	DCGF	
O=C(O)c1cccc2c1CCN[C@H]2c1cccc(B(O)O)c1F	963123995	PCYCGCCTCRHKQC-OAHLLOKOSA-N	315.109	0.439	50	1	DCGF	
COc1ccc(C2=C(SS(=O)(=O)O)N(C)[C@H](N)N2)cc1	2356862943	VCWJYKCRJGGASP-LLVKDONJSA-N	317.392	0.635	50	1	DCGF	
COC1=C/C(=C/NNC(=O)CNC(=O)c2ccco2)C=CC1=O	13120071	WRRVJSPNCPHMQN-CSKARUKUSA-N	317.301	0.183	50	3	DCGF	
O=C(CBr)NCCc1nc2c(O)ncnc2[nH]1	586971686	WMRLGXFMUCBKKL-UHFFFAOYSA-N	300.116	0.112	50	1	DCGF	
CC(C)C[C@H](NC(=O)c1cn(C2CCCCC2)nn1)B(O)O	1857539808	CZNHJEDLONNLAH-ZDUSSCGKSA-N	308.191	0.940	50	1	DCGF	
c1nc(SSc2ncc3n[nH]nc3n2)nc2n[nH]nc12	1702606	TVGKPALXOIHHFY-UHFFFAOYSA-N	304.324	0.609	50	1	DCGF	
O=C(CCCCCCC(=O)N/N=C/c1cc[n+]([O-])cc1)NO	95808210	XSCMEQXSZGWQIA-RVDMUPIBSA-N	308.338	0.616	50	1	DCGF	
COc1cccc(/C=N\NC(=O)C[C@H]2C(=O)NN=C2C)c1OC	100507045	IEKSNWLPWSVWBT-OUZNOSRWSA-N	318.333	0.666	50	1	DCGF	
O=C(CCCCC(=O)N/N=C/c1ccc(C(=O)O)cc1)NO	95808565	HMFCLWULDGSQFX-OQLLNIDSSA-N	307.306	0.901	50	1	DCGF	
Cc1nc2cc(Br)ccc2n(CC(=O)NN)c1=O	473099440	FTWHHDBPABYGFS-UHFFFAOYSA-N	311.139	0.457	50	1	DCGF	
CCOC1=CC=C/C(=C\NNC(=O)C[C@H]2C(=O)NN=C2C)C1=O	104033448	VKWNJDLSDOGUIA-RJCSOLBVSA-N	318.333	0.062	50	3	DCGF	
CC(=O)Nc1ccc(/C=N/NC(=O)c2no[n+]([O-])c2C)cc1	95588840	HZMYOHWTVXGVMA-VGOFMYFVSA-N	303.278	0.339	50	1	DCGF	
N=C(N)c1ccc2nc(CCNC(=O)CBr)[nH]c2c1	586971670	WDTCROGMKRISHW-UHFFFAOYSA-N	324.182	0.901	50	1	DCGF	
COC1=CC([N+](=O)[O-])=C/C(=C\NN(CCC#N)C(C)=O)C1=O	13119314	HZBAEIDSZMEMGA-CSKARUKUSA-N	306.278	0.411	50	3	DCGF	
N#CC[C@]1(O)C=C(Br)C(=O)[C@H](Br)[C@H]1O	13450140	WHLPZHXHZAAZBP-ARDNSNSESA-N	324.956	0.617	50	1	DCGF	biogenic
CC(=O)N/N=C/C1=CC(C(C)C)=C/C(=C\NNC(C)=O)C1=O	15961629	AWALXROHRXWNNL-YRCZXOBCSA-N	304.350	0.724	50	3	DCGF	
O=C(O)[C@@H]1[C@H](C(=O)O)[C@]1(Br)CBr	103134287	YWURKUHKITZMCF-XSMNYAOGSA-N	301.918	0.930	50	1	DCGF	
O=C(NN/C=C1\C(=O)C=Cc2ccccc21)C(=O)N1CCCC1	33837768	BMDHGZOAKFEIOF-KAMYIIQDSA-N	311.341	0.867	50	3	DCGF	
CCOC1=C/C(=C/NNC(=O)C(=O)N2CCCC2)C=CC1=O	13130554	QRVOYDLQZOJAIA-ZHACJKMWSA-N	305.334	0.173	50	3	DCGF	
O=C(NO)c1ccc(C(=O)N/N=C/c2ccc(CO)o2)cc1	95809302	CWYQCRRGFGWERY-VIZOYTHASA-N	303.274	0.655	50	1	DCGF	
O=C(O)CCn1cc(N(CCCl)CCCl)c(=O)[nH]c1=O	1701734	YJZHHUYNDYCOCG-UHFFFAOYSA-N	324.164	0.295	50	1	DCGF	
COc1cccc(C=C[C@H](O)[C@H](O)[C@H](O)[C@H](C)Cl)c1CO	2356723211	BLOBGGKUYRGHEO-GGZSPTBLSA-N	316.781	0.911	50	1	DCGF	
CC(C)C[C@H](NC(=O)c1cn(Cc2ccccc2)nn1)B(O)O	1857546048	TWDIPTOATPADJK-AWEZNQCLSA-N	316.170	0.483	50	1	DCGF	
O=C1OC(=O)[C@@H]2[C@H]1c1c([nH]c3ccccc13)[C@@H]1C(=O)NC(=O)[C@@H]21	299806691	LBJMURZASRZFHN-ZRUFSTJUSA-N	310.265	0.321	50	1	DCGF	
O=c1nc(O)c(C#CCCCCl)cn1CCC(CO)CO	653699948	VKZOYTSQYYXBJI-UHFFFAOYSA-N	314.769	0.310	50	1	DCGF	
CN(C)CCSSCCCNC(=O)CN1CCOCC1	618009487	DSOOFOLQKKCLHT-UHFFFAOYSA-N	321.512	0.768	50	1	DCGF	
O=C(CN1CCOCC1)NN/C=C1\C(=O)C=Cc2ccccc21	13124341	BGNLNYHFVRMANN-PTNGSMBKSA-N	313.357	0.576	50	3	DCGF	
NNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	71478121	XOAOPOHOSASTCU-AWEZNQCLSA-N	309.325	0.884	50	1	DCGF	
NNC(=O)[C@H]1CCCN([C@@H]2CS(=O)(=O)c3ccccc32)C1	957936817	BQWREDKARGAZTR-CMPLNLGQSA-N	309.391	0.217	50	1	DCGF	
NNC(=O)c1ccc2nc(-c3nc(Cl)cnc3N)[nH]c2c1	587086012	BRPKCSNYDYVGKG-UHFFFAOYSA-N	303.713	0.859	50	1	DCGF	
N#CSc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O	27081348	MRIVVOQRLBCTOK-ATRFCDNQSA-N	310.295	0.068	50	1	DCGF	
C[C@@H]1CC[C@H]2[C@](O)(CO)C(=O)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4	169365732	URUDALISAQCCKK-BCLBKFSSSA-N	314.334	0.482	50	1	DCGF	
NC(=O)NC(=O)c1ccc(NC(=O)CBr)cc1	1657726	XDUGUDZPYJGHIT-UHFFFAOYSA-N	300.112	0.829	50	1	DCGF	
C[C@@H](O)[C@H](NC(=O)N(CCCl)N=O)C(=O)NCCCl	28229573	XMUQFNMKQABQEL-RQJHMYQMSA-N	315.157	0.023	50	1	DCGF	
CC(C)(NC(=O)CCl)c1nc2ccc(C(=O)NN)cc2[nH]1	587009818	UUDIOBDAVCQLNM-UHFFFAOYSA-N	309.757	0.757	50	1	DCGF	
C=C1[C@H]2O[C@@H](OCC)[C@@H]3[C@](CCl)(O2)[C@@H](OC(C)=O)C[C@]13O	64526884	NRJFYYSNYKMATB-ARFNZGECSA-N	318.753	0.952	50	1	DCGF	
O=c1[nH]c(=O)n(C/C=C/CBr)nc1Br	1647366	PNIDXIJDDRAAQT-OWOJBTEDSA-N	324.960	0.645	50	1	DCGF	
COC(=O)NNc1c([N+](=O)[O-])cnn(-c2ccccc2)c1=O	5809895	AUZKHCZIHKJIDP-UHFFFAOYSA-N	305.250	0.824	50	1	DCGF	
O=C(NO)c1cccc(C(=O)N/N=C/c2cc[n+]([O-])cc2)c1	95808778	MMSSHPSBRVVVDQ-OQLLNIDSSA-N	300.274	0.203	50	1	DCGF	
CC(C)(NC(=O)CCl)c1nc2nc(C#N)c(C#N)nc2[nH]1	587009812	UQGWNXBPMQOHQX-UHFFFAOYSA-N	303.713	0.686	50	1	DCGF	
O=C(O)C(=O)N[C@@H](CSSCC(F)(F)F)C(=O)O	84756912	LRMGQRQKRGHTPZ-VKHMYHEASA-N	307.271	0.584	50	1	DCGF	
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CCl)O2)cc1CCCl	29405643	UZZUOHQKNROJAN-DJLDLDEBSA-N	309.149	0.205	50	1	DCGF	
O=C1NC(=O)[C@H]2c3[nH]c4ccccc4c3[C@@H]3C(=O)OC(=O)[C@@H]3[C@@H]12	169292816	LBJMURZASRZFHN-LMLFDSFASA-N	310.265	0.321	50	1	DCGF	
COC1=C/C(=C/NNC(=O)C(=O)N2CCCCCC2)C=CC1=O	15885250	LGNQWQUMXMFRGQ-VAWYXSNFSA-N	319.361	0.563	50	3	DCGF	
CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)B(O)O	195198080	HUAAEOIINVCGOV-ZFWWWQNUSA-N	317.198	0.581	50	1	DCGF	
COC1=CC(=C/C(C#N)=C2\NNC(N)=C2C#N)C=C(OC)C1=O	13125000	SNDCMNQGLWBAMT-UKTHLTGXSA-N	311.301	0.135	50	3	DCGF	
COc1cc(/C=N/NC(=O)[C@@H]2CCC(=O)N2)cc(OC)c1OC	1911578494	GWCDJTOTCRNTIJ-MDKXCRPYSA-N	321.333	0.441	50	1	DCGF	
Cc1ccsc1[C@@H]1C(C#N)=C(N)Oc2[nH]c(=O)[nH]c(=O)c21	6218754	MGTAJJHFODOHOK-SSDOTTSWSA-N	302.315	0.651	50	1	DCGF	
O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)N[P@](=O)(O)CCl)cc1	28759605	HABKGUAYYDWGTO-ZJUUUORDSA-N	324.657	0.960	50	1	DCGF	
O=C(NO)c1cccc(C(=O)N/N=C/c2ccc(O)c(O)c2)c1	95808591	PWSORBFNLGQMNW-LZYBPNLTSA-N	315.285	0.981	50	1	DCGF	
COc1ccc(Cl)c2c1CCN[C@H]2c1cc(B(O)O)co1	963260474	WZNNMHUTZVLLPZ-AWEZNQCLSA-N	307.542	0.857	50	1	DCGF	
CCOC(=O)[C@@]1(NC(=O)NNC(=O)c2cccnc2)CC1(C)C	84652454	HHDRRDYBUZZKPX-HNNXBMFYSA-N	320.349	0.757	50	1	DCGF	
COC(=O)C[C@H]1C(=O)N[C@H]2CCCC[C@H]2N1C(=O)CCl	13598489	WMSZAZJMNQNIFY-AEJSXWLSSA-N	302.758	0.427	50	1	DCGF	
COC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3[C@H]2C[C@H]1[C@H]3I	17189768	VIPICYHXHUTBCQ-UBNJLOLWSA-N	322.098	0.771	50	1	DCGF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)CC(=C)[C@@H]1[C@H](O)C[C@@](O)(CCl)[C@@H]21	2356575929	ICMGGJICNZTFKZ-LBRMAZRWSA-N	314.765	0.372	50	1	DCGF	
O[C@@H]([C@@H](O)[C@H](O)Br)N1CCCc2ccccc21	254044507	GRLYEYUNMMNAKQ-SRVKXCTJSA-N	302.168	0.832	50	1	DCGF	
CN(C)CCSSCCCNC(=O)[C@H]1CNC(=O)C1	618009799	JSMSZBUUQMLDPX-SNVBAGLBSA-N	305.469	0.572	50	1	DCGF	
C=CCSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O	15261311	VTEHWEWRSAXLHY-YUMQZZPRSA-N	322.408	0.315	50	1	DCGF	endogenous,in-man
NC(=S)N/N=C/c1cc2c(cc1NC(=O)CCl)OCO2	473147895	GGBGXGAINKYIDT-LNKIKWGQSA-N	314.754	0.760	50	1	DCGF	
Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1ccc(O)cc1	96927483	MUYZTFSHXATDAY-GIDUJCDVSA-N	303.278	0.956	50	1	DCGF	
CCOC(=O)N/N=C/C1=NN(C(=O)OCC)[S@@](=O)[C@H]1C	5845058	PPPFFCDWJZPICM-TXIHGYCXSA-N	304.328	0.599	50	1	DCGF	
N#CC1=C(N)N2C(=O)CSC2=C(C(N)=O)[C@H]1c1ccccc1	481758	MEZDCYNFLOTPOE-NSHDSACASA-N	312.354	0.750	50	3	DCGF	
O=C(NNS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])o1	27110269	SYTAFHBQGSIGQH-UHFFFAOYSA-N	311.275	0.811	50	1	DCGF	
C[C@@H]1CC[C@H]2[C@](O)(CO)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	169365733	URUDALISAQCCKK-XMNQTZONSA-N	314.334	0.482	50	1	DCGF	
Cn1nnnc1SCC(=O)N/N=C/c1ccccc1[N+](=O)[O-]	95559357	NTXKFHURZOPVEQ-WUXMJOGZSA-N	321.322	0.361	50	1	DCGF	
CN1C(=O)C(/C=N/NC(=O)c2ccccc2)C(=O)N(C)C1=O	103237738	TWPBICYCXFQQLM-OVCLIPMQSA-N	302.290	0.069	50	1	DCGF	
CC(C)C[C@H](NC(=O)c1ncn(Cc2ccccc2)n1)B(O)O	1857611535	RDAFLCPQRVOUNX-ZDUSSCGKSA-N	316.170	0.483	50	1	DCGF	
N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)n1cncn1	1857612073	ZHWYUAPXDNOXHD-UNXLUWIOSA-N	301.218	0.845	50	1	DCGF	
CCOC(=O)N/N=C/C1=NN(C(=O)OCC)[S@](=O)[C@H]1C	5845061	PPPFFCDWJZPICM-HUMRPMJASA-N	304.328	0.599	50	1	DCGF	
O=C(NNC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O)c1ccccc1	169293209	OIQGZWBQLJOIID-QNWHQSFQSA-N	300.314	0.971	50	1	DCGF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(C(=O)NN)cc2[nH]1	587274909	WGSGHBJCFDFUFU-UHFFFAOYSA-N	315.293	0.628	50	1	DCGF	
COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@H]2C[C@@H]1[C@H]3I	195431101	VIPICYHXHUTBCQ-ANBNMOMCSA-N	322.098	0.771	50	1	DCGF	
CCOC(=O)[C@]1(NC(=O)NNC(=O)c2ccncc2)CC1(C)C	84712731	OFKZANNULFHENO-OAHLLOKOSA-N	320.349	0.757	50	1	DCGF	
C[C@@H](NC(=O)c1ccccc1Cc1ccccc1)[B-](O)(O)O	198343719	KXUAFLYMMJHXHZ-GFCCVEGCSA-N	300.143	0.851	50	1	DCGF	in-vitro
C/C=C1/CC2=C(C(=O)OC2=O)[C@H](CCC)[C@H](O)C(=O)C[C@@H]1O	44352672	ILMHTGUGRLGMCR-GAOFOFDZSA-N	308.330	0.814	50	1	DCGF	
C[C@@H]1O[C@H](Oc2ccc(CN=C=S)cc2)[C@@H](O)[C@@H](O)[C@@H]1O	14443907	QAZIHHJTZPNRCM-PXSMZSCLSA-N	311.359	0.496	50	1	DCGF	endogenous,in-man
COC1=C/C(=C/NNC(=O)CC#N)C=C(Br)C1=O	13124215	AHEYLGWRXZEPBF-VOTSOKGWSA-N	312.123	0.797	50	3	DCGF	
COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3I	102922330	VIPICYHXHUTBCQ-CUYQCCFGSA-N	322.098	0.771	50	1	DCGF	
CNC(NCCNCc1ccc(CN(C)C)o1)=C(C#N)C#N	2010394	PLQWDBQURPIPGP-UHFFFAOYSA-N	302.382	0.499	50	1	DCGF	
[N-]=[N+]=N[C@H]1[C@@H](Cl)C(O)=NC(=O)N1[C@H]1C[C@H](O)[C@@H](CO)O1	5850938	VYMPYTLUKYXYBC-CQOGJGKDSA-N	305.678	0.091	50	1	DCGF	
CC(=O)C1=C(O)/C(=C(\O)Nc2ccc(O)c(N)c2)C(=O)OC1=O	169336516	QKXWRCFZHIQFDB-ZRDIBKRKSA-N	320.257	0.640	50	1	DCGF	
NC(=O)NC(=O)c1cc(NC(=O)CBr)ccc1F	40975245	VPXJXZQLTYXOHW-UHFFFAOYSA-N	318.102	0.968	50	1	DCGF	
CCOC(=O)C(=O)[C@H](Cl)c1ccc2c(O)nc(O)nc2n1	587366468	NMHUWZAZHCVECV-SSDOTTSWSA-N	311.681	0.848	50	1	DCGF	
O=C(NNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccccc1O	13381873	JEZDCPHWGIMNMF-FIDNZITISA-N	316.313	0.676	50	1	DCGF	
COc1ccc(C2=C(SS(=O)(=O)O)N(C)[C@@H](N)N2)cc1	2356862944	VCWJYKCRJGGASP-NSHDSACASA-N	317.392	0.635	50	1	DCGF	
O=C(NO)c1cccc(C(=O)N/N=C/c2cccc(O)c2O)c1	95809315	MWIWFALWVRIKCC-LZYBPNLTSA-N	315.285	0.981	50	1	DCGF	
C[C@@H](Br)[C@@H](C)NC[C@@H](O)Cn1ccnc1[N+](=O)[O-]	26576590	ZDFYAXPRJDKWGQ-IWSPIJDZSA-N	321.175	0.914	50	1	DCGF	
Cc1cn([C@H]2C[C@@H](O)[C@@H](CCC(=O)CCl)O2)c(=O)[nH]c1=O	27738076	XDEKSLTXDUBITR-GMTAPVOTSA-N	316.741	0.082	50	1	DCGF	
O=C(CNC1C2CC3CC(C2)CC1C3)N1CCC[C@@H]1B(O)O	170068351	BZOKGOVFXOVEJF-GMDIISMXSA-N	306.215	0.404	50	1	DCGF	in-vivo
CC=C1CC2=C(C(=O)OC2=O)[C@H](CCC)[C@H](O)C(=O)C[C@@H]1O	2356399858	ILMHTGUGRLGMCR-CHIMOYNISA-N	308.330	0.814	50	1	DCGF	
Cc1ncc(CSSC[C@H](N)C(=O)O)c(CN)c1O	33432453	GNMYVMXAEUCEOO-VIFPVBQESA-N	303.409	0.848	50	1	DCGF	in-vitro
COC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3[C@H]2C[C@@H]1[C@H]3I	105477914	VIPICYHXHUTBCQ-YKOWBEQASA-N	322.098	0.771	50	1	DCGF	
COc1ccc(C(=O)NN/C=C2/C(=O)C(C)=NC=C2CO)cc1	38173270	WUISSPDJBPMDGE-RIYZIHGNSA-N	315.329	0.733	50	3	DCGF	
N#CC[C@]1(O)C=C(Br)C(=O)[C@@H](Br)[C@@H]1O	13450136	WHLPZHXHZAAZBP-DTLFHODZSA-N	324.956	0.617	50	1	DCGF	biogenic
C/C(CC(=O)Nc1cc(C)ccn1)=N/NC(=O)C(=O)NC(C)C	13152126	LCRLERXJUJQUAZ-ODLFYWEKSA-N	319.365	0.735	50	1	DCGF	
N#CC1=C(NCCO)[C@H]2Cc3cc(O)c(O)cc3O[C@@H]2C=C1N	101006071	VDJWANADLYXZJL-BJOHPYRUSA-N	315.329	0.233	50	1	DCGF	
CC(=O)C1=C(O)/C(=C(\O)Nc2ccc(N)cc2)C(=O)OC1=O	169336617	GXELWBKQABUTKC-ZRDIBKRKSA-N	304.258	0.935	50	1	DCGF	
C[C@H](c1nc2ccc(C(=O)NN)cc2[nH]1)n1cc([N+](=O)[O-])cn1	587276849	OBEPKLVLHLLBDF-SSDOTTSWSA-N	315.293	0.880	50	1	DCGF	
O=C(CCCCC(=O)N/N=C/c1ccccc1C(=O)O)NO	95809791	SCMHRZPCLPNFDS-OQLLNIDSSA-N	307.306	0.901	50	1	DCGF	
O=C(CCc1ccccc1)NN/C=c1/ccc2c(n1)C(=O)C=CC=2	104027563	ZJZQUZKEQMGEEN-SSZFMOIBSA-N	319.364	0.606	50	3	DCGF	
CCOC(=O)N(C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O	28764883	YSYHTEUOKDXUIC-ZDUSSCGKSA-N	307.350	0.853	50	1	DCGF	
O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)N[P@](=O)(O)CCl)cc1	28759607	HABKGUAYYDWGTO-UWVGGRQHSA-N	324.657	0.960	50	1	DCGF	
CN1CCN(CCC(=O)NNc2nncc3ccccc23)CC1	84633434	GNMTYRXDPLQWON-UHFFFAOYSA-N	314.393	0.710	50	1	DCGF	
NC(=O)N/N=C/c1c(N)nc(N)nc1OCC1CCCCC1	13487070	KVIUKILFICZKHJ-UBKPWBPPSA-N	307.358	0.602	50	1	DCGF	
CC=C1CC2=C(C(=O)OC2=O)[C@H](CCC)[C@H](O)C(=O)C[C@H]1O	2356399861	ILMHTGUGRLGMCR-PXWWUCIGSA-N	308.330	0.814	50	1	DCGF	
COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2I	254193973	VIPICYHXHUTBCQ-ACQOQSQZSA-N	322.098	0.771	50	1	DCGF	
O=C(NO)c1ccc(C(=O)N/N=C/c2cccc(O)c2O)cc1	95808395	IGOOGOKUICESGJ-LZYBPNLTSA-N	315.285	0.981	50	1	DCGF	
O=C(NNC(=O)c1cccc(O)c1O)c1cccc(O)c1O	28966854	RZFLGCAAZSRRRU-UHFFFAOYSA-N	304.258	0.584	50	1	DCGF