smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1ccc(/C=N/NC(=O)CNc2n[nH]c(=O)[nH]c2=O)cc1O	1800800	IHGAKOMLYDWIMU-PJQLUOCWSA-N	334.292	-1.265	50	40	EAGB	
Cc1c(C(=O)NNC(=O)c2ccn(C)n2)nnn1-c1nonc1N	3668327	BAQNXHIIXZBVTM-UHFFFAOYSA-N	332.284	-1.651	50	40	EAGB	
NNC(=O)COc1nc(N2CCOCC2)nc(N2CCOCC2)n1	16847999	CKUKKTVKUOYKER-UHFFFAOYSA-N	339.356	-2.087	50	40	EAGB	
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NNC(=O)c1ccncc1	2545815	WMPAXWJRRGZHCP-UHFFFAOYSA-N	325.306	-1.610	50	40	EAGB	
NNC(=O)CNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	3061416	PWICVHYAVWEPPX-UHFFFAOYSA-N	331.310	-2.021	50	40	EAGB	
COCCNC(=O)C(=O)NNC(=O)COc1ccc(OC)cc1	4837241	AACHQGUVDTXMKX-UHFFFAOYSA-N	325.321	-1.016	50	40	EAGB	
O=S(=O)(O)C[C@H](O)CSSC[C@H](O)CS(=O)(=O)O	1715308	ZUFMFTGDCZKQRE-OLQVQODUSA-N	342.438	-1.135	50	40	EAGB	
Cn1c(=O)c2c(nc(NCc3ccco3)n2CC(=O)NN)n(C)c1=O	10274014	MMYGLVIJRRQOAM-UHFFFAOYSA-N	347.335	-1.371	50	40	EAGB	
N#C/C=C1\C=C[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	1857623663	WIIDBJNWXCWLKF-ZRPMYEBWSA-N	329.305	-3.087	50	40	EAGB	
CCNC(=S)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	1816458	WDHFJMKZYNMTGF-UHFFFAOYSA-N	339.381	-2.051	50	40	EAGB	
N#C/C=C1\C=C[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	1857623661	WIIDBJNWXCWLKF-IKXIJWQUSA-N	329.305	-3.087	50	40	EAGB	
O=C(CNc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	36073976	DSLDBFFLFZDXEA-LNKIKWGQSA-N	349.263	-1.366	50	40	EAGB	
CN(C)c1ccc(/C=N\NC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cc1	36322647	XSKXICURKDURNM-BMPRDGATSA-N	341.364	-2.361	50	40	EAGB	
Cc1nc(C)c(C(=O)NNC(N)=S)cc1C(=O)NNC(N)=S	1636135	JFHAAORTPAYFOK-UHFFFAOYSA-N	341.422	-1.346	50	40	EAGB	
O=C(Cn1nnc(-c2ccccc2)n1)NN=C1C(=O)NC(=O)NC1=O	16493677	SRYBMGHXBUIGSD-UHFFFAOYSA-N	342.275	-1.822	50	40	EAGB	
CC(=O)N[C@H]1[C@@H](NNC(=O)c2ccncc2)O[C@@H](CO)[C@@H](O)[C@H]1O	4803753	HROQIODYWLZFIZ-HXNLIRTISA-N	340.336	-2.740	50	40	EAGB	
CC(=O)N[C@@H]1[C@@H](NNC(=O)c2ccncc2)O[C@@H](CO)[C@@H](O)[C@H]1O	4803754	HROQIODYWLZFIZ-HNRZYHPDSA-N	340.336	-2.740	50	40	EAGB	
COc1cccc(/C=N/NC(=O)CNc2n[nH]c(=O)[nH]c2=O)c1O	1787588	ITEMSTQOMGWQDX-PJQLUOCWSA-N	334.292	-1.265	50	40	EAGB	
CO[C@@H]1O[C@@H](CNC(=O)N(CCCl)N=O)[C@@H](O)[C@@H](O)[C@H]1O	5441073	AHHFEZNOXOZZQA-XDQCBXAXSA-N	327.721	-1.628	50	40	EAGB	
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2C[C@H](O)CCl	291326	FJEQNVPWOCABKV-MRVPVSSYSA-N	343.771	-1.140	50	40	EAGB	
O=C(N/N=C/c1ccccc1Cl)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	6513736	GLNZNXQUQMJIND-QACQJGGOSA-N	332.740	-1.774	50	40	EAGB	
NC(=O)C(=O)NNC(=O)CCn1[nH]c(=O)c(Cl)c(Cl)c1=O	1614032	KUFSTMWHSKHWHM-UHFFFAOYSA-N	338.107	-2.134	50	40	EAGB	
Cn1c(=O)c2c(ncn2CC(=O)N/N=C/c2ccccn2)n(C)c1=O	28643	METNHCZJJQODLP-CNHKJKLMSA-N	341.331	-1.021	50	40	EAGB	
Cn1c(=O)c2c(nc(N3CCCCC3)n2CC(=O)NN)n(C)c1=O	4371040	GFOGPTCBVJDKQI-UHFFFAOYSA-N	335.368	-1.586	50	40	EAGB	
Cn1c(=O)c2c(nc(N3CCCCCC3)n2CC(=O)NN)n(C)c1=O	4371041	BUZFIOBFQCKSFS-UHFFFAOYSA-N	349.395	-1.196	50	40	EAGB	
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCCOCCCl	239432723	WFEKKWDRJPGTBV-WTPMCQDGSA-N	327.761	-1.798	50	40	EAGB	
C[C@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C/c1ccc(O)cc1O	1800941	UMMXPHBLLSVEKN-JHKKWMAKSA-N	334.292	-1.180	50	40	EAGB	
Cn1cc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(=O)[nH]c1=O	32913273	JBCXNNKNTZHGRH-NSHDSACASA-N	346.299	-1.325	50	40	EAGB	
O=C(N/N=C\c1ccccc1Cl)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	5329968	GLNZNXQUQMJIND-MGLPBCIVSA-N	332.740	-1.774	50	40	EAGB	
O=S1(=O)C[C@H](O)[C@H](SS[C@@H]2CS(=O)(=O)C[C@@H]2O)C1	6185716	PDVHHPGQTYZWRO-RULNZFCNSA-N	334.462	-1.316	50	40	EAGB	
N#C/C=C1\C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	96300054	WIIDBJNWXCWLKF-KHQKSQDSSA-N	329.305	-3.087	50	40	EAGB	
CC(=O)N[C@@H]1[C@@H](OCCOCCCl)O[C@@H](CO)[C@@H](O)[C@H]1O	4855161	WFEKKWDRJPGTBV-SVNGYHJRSA-N	327.761	-1.798	50	40	EAGB	
CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCCOCCCl	239432721	WFEKKWDRJPGTBV-CSYMLDBXSA-N	327.761	-1.798	50	40	EAGB	
O=C(N/N=C/c1ccc(Cl)cc1)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	6512065	YQHAMXPFJLDMRQ-QACQJGGOSA-N	332.740	-1.774	50	40	EAGB	
O=C(NCCCl)NNC(=O)C(=O)NNC(=O)NCCCl	102936140	XFYLQFCIABCAFQ-UHFFFAOYSA-N	329.144	-1.875	50	40	EAGB	
Cn1c(=O)c2c(ncn2CC(=O)N/N=C/c2ccncc2)n(C)c1=O	552103	VHBUDJIRBWBXPY-CNHKJKLMSA-N	341.331	-1.021	50	40	EAGB	
CO[C@@H]1O[C@@H](CNC(=O)N(CCCl)N=O)[C@@H](O)[C@@H](O)[C@@H]1O	5441075	AHHFEZNOXOZZQA-JTPBWFLFSA-N	327.721	-1.628	50	40	EAGB	
NCC(=O)N[C@@H](CO)C(=O)NCC(=O)Oc1ccc([N+](=O)[O-])cc1	8637306	MGPTYXSBONAVPI-JTQLQIEISA-N	340.292	-1.948	50	40	EAGB	
COc1cc(/C=N/NC(=O)Cn2nnc(N)n2)ccc1OCC(N)=O	1755678	LGOGKFGJYSFHDB-FZSIALSZSA-N	348.323	-1.722	50	40	EAGB	
O=C(N/N=C/c1ccc(Cl)cc1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	6512068	YQHAMXPFJLDMRQ-OXDBOIFSSA-N	332.740	-1.774	50	40	EAGB	
C[C@@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C/c1ccc(O)cc1O	1800944	UMMXPHBLLSVEKN-DXOCJUPFSA-N	334.292	-1.180	50	40	EAGB	
O=C(CNc1n[nH]c(=O)[nH]c1=O)NNC(=O)c1ccc(Cl)cc1	55814	YMUPMHFOOUVUGE-UHFFFAOYSA-N	338.711	-1.015	50	40	EAGB	
O=C1C=C([C@H]2O[C@@H](CI)[C@@H](O)[C@@H]2O)C(=O)N1	5369607	OWTVGTZCOYEUQF-VXUIKNBNSA-N	339.085	-1.507	50	40	EAGB	
CN(C)c1ccc(/C=N\NC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cc1	34118390	XSKXICURKDURNM-ZDGZZBEMSA-N	341.364	-2.361	50	40	EAGB	
CN(C)c1ccc(/C=N/NC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)cc1	13776742	XSKXICURKDURNM-WMCMIFSWSA-N	341.364	-2.361	50	40	EAGB	
CO[C@H]1O[C@@H](CNC(=O)N(CCCl)N=O)[C@@H](O)[C@@H](O)[C@H]1O	5441072	AHHFEZNOXOZZQA-CBHQDSPSSA-N	327.721	-1.628	50	40	EAGB	
CC(=O)N[C@@H]1[C@@H](OCCOCCCl)O[C@@H](CO)[C@@H](O)[C@@H]1O	4855163	WFEKKWDRJPGTBV-HGCLJGPKSA-N	327.761	-1.798	50	40	EAGB	
O=C1C=C([C@@H]2O[C@@H](CI)[C@@H](O)[C@@H]2O)C(=O)N1	5369608	OWTVGTZCOYEUQF-UCVXFZOQSA-N	339.085	-1.507	50	40	EAGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NC12CN3CN(CN(C3)C1)C2	19329365	HNEBBHCGYKRJAP-PQMHYQBVSA-N	328.376	-1.143	50	40	EAGB	
N=C(NNC(=O)C(=O)N/N=C/c1ccc2c(c1)OCO2)N[N+](=O)[O-]	3084256	PSYQAZFLPXWVFE-YIXHJXPBSA-N	337.252	-1.798	50	40	EAGB	
Cn1cccc1/C=N/NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	28649	NQTDSKCSBJKNHN-REZTVBANSA-N	343.347	-1.078	50	40	EAGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1nnc(C(=O)O)[nH]1	108423025	AJDDNMIBNFQBJS-VIZOYTHASA-N	333.264	-1.528	50	40	EAGB	
O=C1C=C([C@@H]2O[C@@H](CI)[C@@H](O)[C@H]2O)C(=O)N1	1766439	OWTVGTZCOYEUQF-IHBLQFBFSA-N	339.085	-1.507	50	40	EAGB	
O=C(O)CCC(=O)NNC(=O)CNS(=O)(=O)c1ccccc1	1884578	FJRCPXNMPCXWAQ-UHFFFAOYSA-N	329.334	-1.023	50	40	EAGB	
NC(=O)NN=C(NO)P(=O)(N1CCOCC1)N1CCOCC1	2275323	VUIGWLTXHMRECU-UHFFFAOYSA-N	336.289	-1.238	50	40	EAGB	
O=C(CNc1n[nH]c(=O)[nH]c1=O)N/N=C/c1cccc([N+](=O)[O-])c1	1781706	NFQQYWVXXRSFQG-LHHJGKSTSA-N	333.264	-1.071	50	40	EAGB	
O=C(CCNc1n[nH]c(=O)[nH]c1=O)N/N=C/c1cc(=O)[nH]c(=O)[nH]1	1747379	JYHHOMYWYIOTDC-YIXHJXPBSA-N	336.268	-3.213	50	40	EAGB	
CC(=O)N[C@H]1[C@@H](OCCOCCCl)O[C@@H](CO)[C@@H](O)[C@H]1O	4855159	WFEKKWDRJPGTBV-KNZXXDILSA-N	327.761	-1.798	50	40	EAGB	
Cn1cc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(=O)[nH]c1=O	32913274	JBCXNNKNTZHGRH-LLVKDONJSA-N	346.299	-1.325	50	40	EAGB	
Cc1ccc(NC(=O)C(=O)NNC=C2C(=O)NC(=O)NC2=O)cc1	6939655	NLZUGZQKWPCCRX-UHFFFAOYSA-N	331.288	-1.196	50	40	EAGB	
O=C(CNc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccc2c(c1)OCO2	1781710	VUIWCTVEOKVCEN-SYZQJQIISA-N	332.276	-1.251	50	40	EAGB	
O=S(=O)(O)C[C@@H](O)CSSC[C@H](O)CS(=O)(=O)O	1715307	ZUFMFTGDCZKQRE-WDSKDSINSA-N	342.438	-1.135	50	40	EAGB	
CNC(=S)NNC(=O)c1cccc(C(=O)NNC(=S)NC)n1	226794870	RQVWRHXUFFNZGP-UHFFFAOYSA-N	341.422	-1.441	50	40	EAGB	
O=C(CNS(=O)(=O)N1CCOCC1)NN=Cc1ccncc1	4099371	MNJZAGDOLXYFPX-UHFFFAOYSA-N	327.366	-1.302	50	40	EAGB	
O=C1C=C([C@H]2O[C@@H](CI)[C@@H](O)[C@H]2O)C(=O)N1	5369606	OWTVGTZCOYEUQF-MLQRGLMKSA-N	339.085	-1.507	50	40	EAGB	
NCC(=O)N[C@H](CO)C(=O)NCC(=O)Oc1ccc([N+](=O)[O-])cc1	1708443	MGPTYXSBONAVPI-SNVBAGLBSA-N	340.292	-1.948	50	40	EAGB	
O=C(NNC(=O)c1ccncc1)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	9033307	KPGYIOMDVKQYDK-KZFLBEFCSA-N	342.308	-3.175	50	40	EAGB	biogenic
Cn1c(=O)c2c(ncn2CC(=O)N/N=C/c2cccnc2)n(C)c1=O	551126	JUEQNOYPVZEPCO-CNHKJKLMSA-N	341.331	-1.021	50	40	EAGB	
NNC(=O)[C@@H](CS[C@@H]1CCCCO1)NC(=O)[C@@H]1CCC(=O)N1	4474812	JBJXPLUBCQAAAD-IQJOONFLSA-N	330.410	-1.001	50	40	EAGB	
N#C/C=C1\C=C[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	1857623662	WIIDBJNWXCWLKF-XJDYHNDCSA-N	329.305	-3.087	50	40	EAGB	
CC(=O)NNC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C	415715	QHVASWIDSRDINQ-UHFFFAOYSA-N	340.365	-1.770	50	40	EAGB	
CN(C)c1ccc(/C=N/NC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cc1	35833377	XSKXICURKDURNM-XMMXYYMKSA-N	341.364	-2.361	50	40	EAGB	
N#C/C=C1\C=C[C@@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	1857623660	WIIDBJNWXCWLKF-BGFXZMBGSA-N	329.305	-3.087	50	40	EAGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	38796856	JBVOZQXXYIVXEL-BAQJGGEPSA-N	343.292	-2.519	50	40	EAGB	
O=C(N/N=C\c1ccc(Cl)cc1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	104166505	YQHAMXPFJLDMRQ-MGLPBCIVSA-N	332.740	-1.774	50	40	EAGB	
CN(C)c1ccc(/C=N/NC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1	35833383	XSKXICURKDURNM-NRHFNWJSSA-N	341.364	-2.361	50	40	EAGB	
Cn1nc(C(=O)NNC(=O)Cn2cncn2)c2ccccc2c1=O	7991071	SUNNXEZATOOKCA-UHFFFAOYSA-N	327.304	-1.014	50	40	EAGB	
COc1ccc(OCC(=O)NN[C@@H]2CS(=O)(=O)C[C@H]2O)cc1	94992692	DTFDELYOKMHBSH-VXGBXAGGSA-N	330.362	-1.147	50	40	EAGB	
N#C/C=C1/C=C[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	34887090	WIIDBJNWXCWLKF-SSRKEPSLSA-N	329.305	-3.087	50	40	EAGB	biogenic
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2C[C@@H](O)CCl	291327	FJEQNVPWOCABKV-QMMMGPOBSA-N	343.771	-1.140	50	40	EAGB	
COc1ccc(C(=O)NNC(=O)COC(=O)Cn2cnnn2)cc1	20977325	ZDWFOOSPCBLGGE-UHFFFAOYSA-N	334.292	-1.314	50	40	EAGB	
CC(=O)N[C@H]1[C@@H](OCCOCCCl)O[C@@H](CO)[C@@H](O)[C@@H]1O	4855162	WFEKKWDRJPGTBV-KQSJRHEJSA-N	327.761	-1.798	50	40	EAGB	
CC(=O)OC(=O)C[C@H](NC(=O)[C@H](N)CCCNC(=N)N)C(=O)O	100498779	DNFOJTRWXWPBEF-SFYZADRCSA-N	331.329	-2.374	50	40	EAGB	
N#C/C=C1\C=C[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	1529054953	WIIDBJNWXCWLKF-VPQAXJKHSA-N	329.305	-3.087	50	40	EAGB	
O=C(NNC(=O)c1ccncc1)C(=O)NNC(=O)c1ccncc1	3140956	UWTCBJOYRMHXMZ-UHFFFAOYSA-N	328.288	-1.301	50	40	EAGB	
NNC(=O)[C@@H](CS[C@H]1CCCCO1)NC(=O)[C@@H]1CCC(=O)N1	4474813	JBJXPLUBCQAAAD-NGZCFLSTSA-N	330.410	-1.001	50	40	EAGB	
O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NNC(=O)C(=O)NC1CC1	22276262	VYDXLKIWOXZBJO-UHFFFAOYSA-N	345.315	-1.884	50	40	EAGB	
CC(=O)N[C@H]1[C@@H](NNC(=O)c2ccncc2)O[C@@H](CO)[C@@H](O)[C@@H]1O	4803755	HROQIODYWLZFIZ-KSFQGOMNSA-N	340.336	-2.740	50	40	EAGB	
CO[C@H]1O[C@@H](CNC(=O)N(CCCl)N=O)[C@@H](O)[C@@H](O)[C@@H]1O	5441074	AHHFEZNOXOZZQA-ABRLLLAPSA-N	327.721	-1.628	50	40	EAGB	
O=S1(=O)C[C@H](O)[C@H](SS[C@H]2CS(=O)(=O)C[C@H]2O)C1	6185732	PDVHHPGQTYZWRO-SOSBWXJGSA-N	334.462	-1.316	50	40	EAGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	31723717	JBVOZQXXYIVXEL-JDGZVABWSA-N	343.292	-2.519	50	40	EAGB	
CC(=O)N[C@@H]1[C@H](OCCOCCCl)O[C@H](CO)[C@@H](O)[C@@H]1O	239432722	WFEKKWDRJPGTBV-IYKVGLELSA-N	327.761	-1.798	50	40	EAGB	
CN(C)c1ccc(/C=N/NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1	35833380	XSKXICURKDURNM-GFMFAKGBSA-N	341.364	-2.361	50	40	EAGB	
Cn1c(=O)c2ncn(CC(=O)N/N=C/c3cccnc3)c2n(C)c1=O	5670017	GMXGVYWWYYCBOJ-CNHKJKLMSA-N	341.331	-1.021	50	40	EAGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	104165998	JBVOZQXXYIVXEL-GVEHVGCJSA-N	343.292	-2.519	50	40	EAGB	
CN(C)c1ccc(/C=N/NC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cc1	35833374	XSKXICURKDURNM-LDHQWZINSA-N	341.364	-2.361	50	40	EAGB	
O=S1(=O)C[C@H](O)[C@H](SS[C@@H]2CS(=O)(=O)C[C@H]2O)C1	6185730	PDVHHPGQTYZWRO-ULAWRXDQSA-N	334.462	-1.316	50	40	EAGB	
O=C(N/N=C\c1ccc(Cl)cc1)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	31723749	YQHAMXPFJLDMRQ-UWCFIIOWSA-N	332.740	-1.774	50	40	EAGB	
NNC(=O)c1nnn(-c2nonc2N)c1Cn1cnc([N+](=O)[O-])n1	3664979	CKBZBZGTVFIQTH-UHFFFAOYSA-N	336.232	-2.616	50	40	EAGB	
CCOC(=O)NN(C(=O)OCC)c1c(NN)n(C)c(=O)n(C)c1=O	1871898	YPRDUNGRXYKYMC-UHFFFAOYSA-N	344.328	-1.006	50	40	EAGB	
NNC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	2451337	XYLMYUCTPWBUIQ-UHFFFAOYSA-N	342.377	-1.573	50	40	EAGB	
O=C(CN1CCCCCC1=O)NNC(=O)CN1C(=O)CNC1=O	6904448	FIZRMDJOTWURMC-UHFFFAOYSA-N	325.325	-1.912	50	40	EAGB	
O=S(=O)(O)C[C@H](O)CSSC[C@@H](O)CS(=O)(=O)O	1715310	ZUFMFTGDCZKQRE-PHDIDXHHSA-N	342.438	-1.135	50	40	EAGB	
CC(=O)N[C@@H]1[C@@H](NNC(=O)c2ccncc2)O[C@@H](CO)[C@@H](O)[C@@H]1O	4803757	HROQIODYWLZFIZ-ROEYZRMQSA-N	340.336	-2.740	50	40	EAGB	
CC(=O)N[C@H]1[C@H](OCCOCCCl)O[C@H](CO)[C@@H](O)[C@@H]1O	4027478	WFEKKWDRJPGTBV-LZQZFOIKSA-N	327.761	-1.798	50	40	EAGB	biogenic
NNC(C(=O)NN/C(N)=N/[N+](=O)[O-])C(=O)NN/C(N)=N/[N+](=O)[O-]	19172870	JIGHODNHPOCSGY-UHFFFAOYSA-N	336.229	-5.927	50	40	EAGB	
COc1ccc(OCC(=O)NN[C@H]2CS(=O)(=O)C[C@@H]2O)cc1	94992691	DTFDELYOKMHBSH-RYUDHWBXSA-N	330.362	-1.147	50	40	EAGB	
COc1ccc(OCC(=O)NN[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	94992690	DTFDELYOKMHBSH-NEPJUHHUSA-N	330.362	-1.147	50	40	EAGB	
CC(=O)N[C@@H]1[C@H](OCCOCCCl)O[C@H](CO)[C@H](O)[C@@H]1O	224693649	WFEKKWDRJPGTBV-YBXAARCKSA-N	327.761	-1.798	50	40	EAGB	
O=C(N/N=C/c1ccccc1Cl)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	6513738	GLNZNXQUQMJIND-OXDBOIFSSA-N	332.740	-1.774	50	40	EAGB	
O=S1(=O)C[C@H](O)[C@H](SS[C@H]2CS(=O)(=O)C[C@@H]2O)C1	6185718	PDVHHPGQTYZWRO-DKXJUACHSA-N	334.462	-1.316	50	40	EAGB	
NNC(=O)c1cccc(S(=O)(=O)NCCN2CCOCC2)c1	225502569	NVOLUNJLTSDSBU-UHFFFAOYSA-N	328.394	-1.099	50	40	EAGB	
COc1ccc(OCC(=O)NN[C@H]2CS(=O)(=O)C[C@H]2O)cc1	94992693	DTFDELYOKMHBSH-NWDGAFQWSA-N	330.362	-1.147	50	40	EAGB	
CO[C@H]1O[C@H](CNC(=O)N(CCCl)N=O)[C@@H](O)[C@H](O)[C@H]1O	3812866	AHHFEZNOXOZZQA-ZEBDFXRSSA-N	327.721	-1.628	50	40	EAGB	in-man
O=C(N/N=C\c1ccccc1Cl)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	5329967	GLNZNXQUQMJIND-UWCFIIOWSA-N	332.740	-1.774	50	40	EAGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	17024498	JBVOZQXXYIVXEL-KIOBNTFASA-N	343.292	-2.519	50	40	EAGB	
O=C(CNS(=O)(=O)N1CCOCC1)NN=Cc1cccnc1	6645809	CXFJXHRLYYXOOM-UHFFFAOYSA-N	327.366	-1.302	50	40	EAGB