smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O[C@@H]1CCCC[C@@H]1NCc1ccc2c(c1)CCO2	52001212	FBZILXMMRMXCFY-UONOGXRCSA-N	247.338	2.015	10	40	BECB	
COC(=O)c1ccc(Nc2ccc(N)cc2)nc1	70453852	ZOACLJACAFLJIQ-UHFFFAOYSA-N	243.266	2.194	10	40	BECB	
CC(C)COc1ccc(N2CC[C@@H](O)C2)cc1	96528306	SWJOVGUTFUAODC-CYBMUJFWSA-N	235.327	2.292	10	40	BECB	
[N-]=[N+]=CC(=O)[C@@H]1O[C@H]1c1ccc2ccccc2c1	5568113	BAMXBGAPXINRCV-KBPBESRZSA-N	238.246	2.149	10	40	BECB	
C[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1	20154933	DOLQHINIOIWMEJ-LLVKDONJSA-N	232.327	2.070	10	40	BECB	
Nc1ccc(CC(=O)N2CCCCCC2)cc1	20154960	RDZLTOAJHZGMDY-UHFFFAOYSA-N	232.327	2.214	10	40	BECB	
CCSc1cc(O)c(C(=O)OC)s1	96510934	AIGQJEJNMSBLIB-UHFFFAOYSA-N	218.299	2.352	10	40	BECB	
O=C1NC(=S)/C(=C/c2ccco2)S1	2554130	UNLVAIRUOAPPGK-XQRVVYSFSA-N	211.267	2.404	10	40	BECB	
N[C@H](Cc1ccc(O)c(O)c1)c1ccccc1	1668347	XNWPMAPZIHZGJZ-GFCCVEGCSA-N	229.279	2.340	10	40	BECB	
Nc1ccc(OCCCN2CCCC2)cc1	19731916	TWOVRSMFLFYABX-UHFFFAOYSA-N	220.316	2.134	10	40	BECB	in-vitro
CC(C)NC(=O)[C@H](C)Sc1nccs1	48874844	FIMGOIIGKJPHMY-ZETCQYMHSA-N	230.358	2.148	10	40	BECB	
Nc1[nH]c(=O)ccc1/N=N/c1ccccc1	96191193	GGZOBYFDTVSUTM-CCEZHUSRSA-N	214.228	2.373	10	40	BECB	
CCC/C(C)=C1\SC(=S)NC1=O	40541553	GZEDVTSCFDNZSC-WAYWQWQTSA-N	201.316	2.208	10	40	BECB	
CC1(C)NN=C(c2ccccc2O)S1	149414038	BQUJFFQYLUPNLC-UHFFFAOYSA-N	208.286	2.126	10	40	BECB	
CN(C)c1ccc(CNc2nncs2)cc1	83361126	FQXQLBOBCKEAQX-UHFFFAOYSA-N	234.328	2.216	10	40	BECB	
CN1C(=O)/C(=C\c2ccco2)SC1=S	4860507	RZTWYYBSFGCMJM-FNORWQNLSA-N	225.294	2.111	10	40	BECB	
Nc1ccc(NC(=S)c2ccccn2)cc1	5338737	FADXVBYXOAIEAV-UHFFFAOYSA-N	229.308	2.451	10	40	BECB	
C[C@H](C(=O)c1ccc(O)c(O)c1)N1CCCCC1	90760543	DIGTYXWSMJMTLM-SNVBAGLBSA-N	249.310	2.155	10	40	BECB	
Cc1ccc(CN2C(=O)CSC2=S)cc1	1104711	ZEZSJEPMPURQRH-UHFFFAOYSA-N	237.349	2.355	10	40	BECB	
CCCN(CC(=O)O)c1ccc(OCC)cc1	224999002	LOZQBSLJMFVEHH-UHFFFAOYSA-N	237.299	2.386	10	40	BECB	
CN(C)c1ccc(CNC(=O)C2CCC2)cc1	7910090	PHPSTTIMHVDTTC-UHFFFAOYSA-N	232.327	2.169	10	40	BECB	
COc1cccc2c1N[C@H](C(=O)O)[C@H]1CC=C[C@@H]21	13116454	JIYQEGVUIRJANB-FWDPORAESA-N	245.278	2.234	10	40	BECB	
Nc1ccc(CC(=O)OC2CCCC2)cc1	20154911	LQXRGPFRCRNPIW-UHFFFAOYSA-N	219.284	2.297	10	40	BECB	
COc1ccc(N2[C@@H]3CC[C@@H]2CC(=O)C3)cc1	100491719	OWKLQIXASBHXKC-VXGBXAGGSA-N	231.295	2.396	10	40	BECB	
Cc1cc(CO)c(C)n1-c1cccc([N+](=O)[O-])c1	8701612	DQOZEALUUBJATR-UHFFFAOYSA-N	246.266	2.495	10	40	BECB	
COc1ccc(/N=N/N2CCOCC2)cc1	14628758	SJMCKVRLENPUDX-OUKQBFOZSA-N	221.260	2.026	10	40	BECB	
CCOc1ccc(N(CC)[C@H](C)C(=O)O)cc1	260677448	FNBNZTBNMSDKIA-SNVBAGLBSA-N	237.299	2.385	10	40	BECB	
CN/C=C1\C(=O)N(c2ccc(C)c(C)c2)N=C1C	4354790	NULYSWUDYZQQEG-JYRVWZFOSA-N	243.310	2.129	10	40	BECB	
COC(=O)c1cc(Oc2ccc(N)cc2)ccn1	90738677	LKNOOBDGFHXDIE-UHFFFAOYSA-N	244.250	2.243	10	40	BECB	
C[C@H]1C[C@@H]1c1ccc(/C=C2\SC(N)=NC2=O)o1	10219640	BLAXQRBFVKYIMD-FQSHVDOQSA-N	248.307	2.332	10	40	BECB	
Cc1cc(/C=C2\SC(=S)NC2=O)c(C)[nH]1	12341777	YNRINJTUILGZIP-YWEYNIOJSA-N	238.337	2.120	10	40	BECB	
O=S1(=O)Nc2ccc(O)cc2-c2ccccc21	5729561	LFLOGQYVKQABBB-UHFFFAOYSA-N	247.275	2.173	10	40	BECB	
CN(C)c1ccc(CNC(=O)c2ccc[nH]2)cc1	32744798	NFDWJPGVUJUOMT-UHFFFAOYSA-N	243.310	2.011	10	40	BECB	
COc1cccc2c1N[C@@H](C(=O)O)[C@H]1CC=C[C@H]21	4092676	JIYQEGVUIRJANB-DFAYQTQMSA-N	245.278	2.234	10	40	BECB	
CN1CCCC[C@H]1COc1ccc(N)cc1	2538742	WCUBDONLPUMSJK-LBPRGKRZSA-N	220.316	2.132	10	40	BECB	
Cc1cn(CCF)nc1NCc1ccccc1O	256051443	JEMURRYJSISNBL-UHFFFAOYSA-N	249.289	2.479	10	40	BECB	
O=C(O)c1ccc(N=NSCCO)cc1	254817247	XQYXSDKECFGYPC-UHFFFAOYSA-N	226.257	2.109	10	40	BECB	
C[C@@H]1CCCCN1C(=O)Cc1ccc(N)cc1	20154929	KVGHOKITTHULMF-LLVKDONJSA-N	232.327	2.212	10	40	BECB	
Cc1nonc1NCc1ccc(N(C)C)cc1	4933357	UMLKLPBCGCBJAI-UHFFFAOYSA-N	232.287	2.056	10	40	BECB	
C[C@H](/N=N\c1nnn[nH]1)/N=N/c1ccccc1	104167716	NDSJCTZOWWRLBQ-WBKIZCIFSA-N	230.235	2.413	10	40	BECB	
Cc1ccc(O)c(CN[C@@H](C)[C@H]2CCCO2)c1	71406862	SYYXXXJUCWVIEI-SMDDNHRTSA-N	235.327	2.358	10	40	BECB	
[N-]=[N+]=NC[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1	2087097639	MSLSNBQWXXAKDR-SNVBAGLBSA-N	248.261	2.485	10	40	BECB	
Cc1cc(O)c(CN2CCO[C@@H](C)C2)cc1C	12942866	NJHVIQLZAFFDQZ-LBPRGKRZSA-N	235.327	2.230	10	40	BECB	
Cc1cc(CO)c(C)n1-c1ccc([N+](=O)[O-])cc1	8701614	QDJZTCURTBBYCR-UHFFFAOYSA-N	246.266	2.495	10	40	BECB	
CC[C@@H](N=[N+]=[N-])C(=O)N1CCC(C)CC1	2298159761	KVEYNXRCOWXACX-SECBINFHSA-N	210.281	2.334	10	40	BECB	
COC(=O)c1ccc(O)c(CNC2CCCC2)c1	96530245	OSXCEEWWCDUCBS-UHFFFAOYSA-N	249.310	2.211	10	40	BECB	
O=c1c2cccc(O)c2oc2ccc(O)c(O)c12	14821891	WRYMABXVDKBFIK-UHFFFAOYSA-N	244.202	2.063	10	40	BECB	biogenic,in-vitro
COc1ccc(CNC2CCN(C)CC2)cc1C	35052743	NNMNRVLCPLEQBY-UHFFFAOYSA-N	248.370	2.187	10	40	BECB	
Cc1ccc(CCN)n1Cc1ccccc1	78405694	NZCSUUIBFPKWKW-UHFFFAOYSA-N	214.312	2.346	10	40	BECB	
Cc1nc(O)c(/N=N/c2ccccc2)c(=O)[nH]1	16363251	OBTZKBCBKNGOGM-CCEZHUSRSA-N	230.227	2.199	10	40	BECB	
CCOC(=O)[C@H](/N=N\c1ccccc1)C(C)=O	100441584	YBKOBYPTHJKDFK-LYZGCBJASA-N	234.255	2.291	10	40	BECB	
CN(CCN=[N+]=[N-])C(=O)OC(C)(C)C	59618119	HBIZLVGJYYDTIS-UHFFFAOYSA-N	200.242	2.164	10	40	BECB	
C[C@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)cc1	12537893	DWBXUSXXASDCEB-GXFFZTMASA-N	232.327	2.025	10	40	BECB	
CC(C)(C)OC(=O)NCCCN=[N+]=[N-]	34516859	OLSPEVFARDFFIS-UHFFFAOYSA-N	200.242	2.212	10	40	BECB	
CCCN/C=C1\C(=O)N(c2ccccc2)N=C1C	408723098	NAMRFHWGEQXMMJ-RAXLEYEMSA-N	243.310	2.293	10	40	BECB	
Oc1ccc2ccccc2c1/N=N/c1nn[nH]n1	6576415	NWCCNBZJEHBRTP-OUKQBFOZSA-N	240.226	2.474	10	40	BECB	
Cc1cc(NCc2ccccc2O)n(C)n1	237757570	ULBRVZAIZTXWMR-UHFFFAOYSA-N	217.272	2.046	10	40	BECB	
O=C1NC(=S)S/C1=C\c1ccsc1	1023087	XXEBTKBRSLSLSF-UTCJRWHESA-N	227.335	2.237	10	40	BECB	
COc1cccc2c1C(=O)c1ccccc1C2=O	3875551	CQGDBBBZCJYDRY-UHFFFAOYSA-N	238.242	2.471	10	40	BECB	biogenic
Cc1nc(N)c(/N=N\c2ccccc2)c(N)n1	100263715	BEFUMGOCHNLNSU-MSUUIHNZSA-N	228.259	2.365	10	40	BECB	
C[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1	20154935	DOLQHINIOIWMEJ-NSHDSACASA-N	232.327	2.070	10	40	BECB	
Cc1c(NCc2ccccc2O)cnn1CCF	256049739	BFMMBLQMTHQOBI-UHFFFAOYSA-N	249.289	2.479	10	40	BECB	
Nc1ccc(OCCc2ccncc2)cc1	37662706	HQEVPZRVPKMDCH-UHFFFAOYSA-N	214.268	2.285	10	40	BECB	in-vitro
C/N=N\C(=O)Nc1ccc(CN(C)C)cc1	16918680	DOWHWOHINLTFHX-OWBHPGMISA-N	220.276	2.362	10	40	BECB	
N=C1c2ccccc2C(=O)c2cccc(N)c21	5342206	QRKOHQULMICIPX-UHFFFAOYSA-N	222.247	2.229	10	40	BECB	
COc1ccc2c(c1)C(=O)[C@@H]1C=CC=C[C@@H]1C2=O	100352692	DDPBSPJTORKEOO-WDEREUQCSA-N	240.258	2.433	10	40	BECB	
O=[N+]([O-])c1nc[nH]c1/N=N/c1ccc(O)cc1O	101384451	QMEPRXZUFMVQSN-OUKQBFOZSA-N	249.186	2.145	10	40	BECB	
Oc1ccccc1CNc1ccncc1	3162857	LPBPHAUAGIIPKQ-UHFFFAOYSA-N	200.241	2.399	10	40	BECB	
Cc1cc(N(C)C)nc(Nc2ccc(N)cc2)n1	75172755	LYQRHCXHOCPMFZ-UHFFFAOYSA-N	243.314	2.177	10	40	BECB	
CN(C)/N=N\c1ccc(/C=C\C(=O)O)cc1	104197826	UUAVEVPECFBWHW-JZSLDKAOSA-N	219.244	2.345	10	40	BECB	
Cc1ccc(CN)n1Cc1ccccc1	78405649	RNINRABGECVUQP-UHFFFAOYSA-N	200.285	2.304	10	40	BECB	
COc1cccc2c1O[C@H](CN=[N+]=[N-])C2	215876820	MOYGQEDRUPFDFH-QMMMGPOBSA-N	205.217	2.309	10	40	BECB	
COc1ccc2c(c1)C[C@@H](CN=[N+]=[N-])O2	218735321	ZJPVMFOFTAILPS-VIFPVBQESA-N	205.217	2.309	10	40	BECB	
COc1ccc(N2CCN[C@@H]3CCCC[C@H]32)cc1	218831840	BIRWFTVTFZUZCC-HUUCEWRRSA-N	246.354	2.416	10	40	BECB	
CCCOC(=O)/C=C/c1ccc(O)c(O)c1	34181679	BPJXSLLUNRTWHM-GQCTYLIASA-N	222.240	2.064	10	40	BECB	biogenic,in-vitro
Nc1ccc(Cc2noc(C(F)(F)F)n2)cc1	217685439	KKUNXAQQJUNQHH-UHFFFAOYSA-N	243.188	2.261	10	40	BECB	
CN1CCCC[C@@H]1COc1ccc(N)cc1	12351317	WCUBDONLPUMSJK-GFCCVEGCSA-N	220.316	2.132	10	40	BECB	
Nc1ccc(OCc2cccnc2)cc1	12357645	OCELZBJNNVNSDE-UHFFFAOYSA-N	200.241	2.243	10	40	BECB	in-vitro
CC(C)NC(=O)c1ccc(/N=N\N(C)O)cc1	100378171	AOYGQVYHQOYSHZ-YPKPFQOOSA-N	236.275	2.145	10	40	BECB	
CCCCS(=O)(=O)Nc1ccc(O)cc1C	11566498	QJBJEEXNBNHZMK-UHFFFAOYSA-N	243.328	2.242	10	40	BECB	
C[C@@H]1C[C@@H]1NCc1ccc(N2CCOCC2)cc1	52272510	BNLDBZOMLUERKT-DOMZBBRYSA-N	246.354	2.021	10	40	BECB	
CCn1ncc(NCc2ccc(O)cc2O)c1C	256053042	PTGIIAIAEOOYDW-UHFFFAOYSA-N	247.298	2.235	10	40	BECB	
O=C1CSC(=S)N1Cc1cccs1	1045883	OJPJNAMXOKOFHF-UHFFFAOYSA-N	229.351	2.108	10	40	BECB	
Cc1n[nH]c(-c2cccnc2)c1/N=N/N(C)C	18120792	WCVFHKQIIKJXTB-FOCLMDBBSA-N	230.275	2.340	10	40	BECB	
CCCN(C)Cc1ccc(N2CCOCC2)cc1	69323062	JKUHTHXPMNJJGR-UHFFFAOYSA-N	248.370	2.365	10	40	BECB	
Cc1ccc(C)n1-c1ccc(O)c(C(=O)O)c1	267003	LBDOGIZEEBHJSE-UHFFFAOYSA-N	231.251	2.498	10	40	BECB	
O=C1N=C(S)S/C1=C/c1ccccc1O	2536853	ZROKEZLWNZKNSJ-VMPITWQZSA-N	237.305	2.292	10	40	BECB	
CC(C)NC(=O)[C@@H](C)Sc1nccs1	48874841	FIMGOIIGKJPHMY-SSDOTTSWSA-N	230.358	2.148	10	40	BECB	
O=C1c2ccccc2-c2nnc(Cl)cc21	33940785	KCYFISVHLKCHRM-UHFFFAOYSA-N	216.627	2.341	10	40	BECB	
COC(=O)c1sc(OCC(C)C)cc1O	96510866	QZALDTIHSHNFAF-UHFFFAOYSA-N	230.285	2.275	10	40	BECB	
CC(C)=CC(=O)NCc1ccc(N(C)C)cc1	24378335	YMZITMQQPVUOBX-UHFFFAOYSA-N	232.327	2.335	10	40	BECB	
CCCn1cc(NCc2ccc(O)cc2O)cn1	90191931	RWYGMGMUTDRPAB-UHFFFAOYSA-N	247.298	2.316	10	40	BECB	
CCN(CC)c1ccc([C@@H](C)NN)cc1	199536960	LCQZLGBXGMNNAX-SNVBAGLBSA-N	207.321	2.057	10	40	BECB	
O=C(C(=O)c1ccc(F)cc1)c1ccncc1	35644365	PWXKRICWMZJIJO-UHFFFAOYSA-N	229.210	2.286	10	40	BECB	in-vitro
COCCc1ccc(CO)n1Cc1ccccc1	226030802	IHMPJLBQQWUGQN-UHFFFAOYSA-N	245.322	2.218	10	40	BECB	
CCOC(=O)c1ccccc1NC(=O)CN=[N+]=[N-]	102918047	RQHUSPHPXJWXKE-UHFFFAOYSA-N	248.242	2.112	10	40	BECB	
COc1cccc2c1N[C@@H](C(=O)O)[C@@H]1CC=C[C@H]21	276310	JIYQEGVUIRJANB-ZDSQKVDBSA-N	245.278	2.234	10	40	BECB	
Cc1nn(C)c(C)c1/N=N/c1nc[nH]c1[N+](=O)[O-]	4478085	MLZHLVHZKYGGRD-OUKQBFOZSA-N	249.234	2.084	10	40	BECB	
N=C1N=C2C=CC=CN2C(=O)/C1=C/c1ccccc1	34706975	BJQQHOIYNCXONB-NSPWBMBASA-N	249.273	2.371	10	40	BECB	
C/C=C1\SC(/C(=C/C)C(=O)OCC)=NC1=O	5472332	NNZWFLFSOHHRJW-IUNAMMOKSA-N	239.296	2.072	10	40	BECB	
CN(C)c1ccc(/C=C(/S)C(=O)O)cc1	100479508	SMLVBPACIMMDSE-JXMROGBWSA-N	223.297	2.108	10	40	BECB	
N=C1N=C2C=CC=CN2C(=O)/C1=C\c1ccccc1	6589228	BJQQHOIYNCXONB-ZNIRDAAXSA-N	249.273	2.371	10	40	BECB	
O=Cc1cc2c(s1)C(=O)c1sccc1C2=O	1635067	BNSGSFPTSNIIMM-UHFFFAOYSA-N	248.284	2.398	10	40	BECB	
O=C1OC2(CCCC2)OC(=O)C1=Cc1ccco1	241991	HBRWRJNEBKBQMW-UHFFFAOYSA-N	248.234	2.033	10	40	BECB	
Cc1cnn(C)c1NCc1ccc(N(C)C)cc1	256049699	BAPXPTSABAVWHB-UHFFFAOYSA-N	244.342	2.407	10	40	BECB	
CC(C)CC(=O)C1C(=O)c2ccccc2C1=O	100682446	PVWMAOPFDINGAY-UHFFFAOYSA-N	230.263	2.297	10	40	BECB	
C[C@H]1C[C@H]1c1ccc(/C=C2\SC(N)=NC2=O)o1	12590946	BLAXQRBFVKYIMD-JQVGVLFISA-N	248.307	2.332	10	40	BECB	
CN/C=C1\C(=O)N(c2cccc(Cl)c2)N=C1C	6269004	YKROWJUKVIZTPE-XFFZJAGNSA-N	249.701	2.166	10	40	BECB	
Cn1c(-c2ccccc2)cnc1SCC(=O)O	36804038	DRJGSULCGDRPFL-UHFFFAOYSA-N	248.307	2.264	10	40	BECB	
CC(C)n1nccc1NCc1ccc(O)cc1O	256049486	ADPYHLNCXJOLSW-UHFFFAOYSA-N	247.298	2.487	10	40	BECB	
Cc1c(C(=O)CN2CCCCC2)ccc(O)c1O	1672324	UGNWZHHCZKQWKS-UHFFFAOYSA-N	249.310	2.075	10	40	BECB	
COC(=O)c1cccc(/N=N\N(C)C)c1	104130078	VIHRSKPFPROVEQ-QXMHVHEDSA-N	207.233	2.034	10	40	BECB	
CC1=C/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)O1	1693552	KOSBNALBHPXVQA-ALCCZGGFSA-N	221.168	2.032	10	40	BECB	
[N-]=[N+]=NCC(=O)NCc1ccccc1Cl	100021964	UZAAYSQZIHWJTM-UHFFFAOYSA-N	224.651	2.267	10	40	BECB	in-vitro
CCOC(=O)[C@H]1CCCN(c2ccc(N)cc2)C1	26896355	SIHMOCUKGLIOKH-NSHDSACASA-N	248.326	2.048	10	40	BECB	
Nc1ccc(N2C(=O)CC[C@H]2C(F)(F)F)cc1	256052199	MHWVCQWXHMDLHT-VIFPVBQESA-N	244.216	2.327	10	40	BECB	
Cc1cc(N)ccc1C(=O)Oc1ccc(N)cc1	584578806	QQACHWWWCVIZGQ-UHFFFAOYSA-N	242.278	2.379	10	40	BECB	
Cc1nc2ccc(/N=N/N(C)C)cc2[nH]1	98065395	VADKDILSAFKYEB-BUHFOSPRSA-N	203.249	2.432	10	40	BECB	
[N-]=[N+]=NC[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1	2087097636	CTAAHYFZMKAZAG-JTQLQIEISA-N	248.261	2.485	10	40	BECB	
CC(C)(C)c1ccc(C(=O)C=[N+]=[N-])cc1	4752060	NQQOGUWJUGFNRF-UHFFFAOYSA-N	202.257	2.467	10	40	BECB	
CCn1cc(C)c(NCc2ccc(O)cc2O)n1	256051916	LBFZWAWRYZIGRE-UHFFFAOYSA-N	247.298	2.235	10	40	BECB	
Cc1ccccc1/N=N/c1c(N)n[nH]c1N	100614756	BHSCLHDQTNDXDV-BUHFOSPRSA-N	216.248	2.298	10	40	BECB	
O=C1CCCc2oc3cc(O)c(O)cc3c21	16383574	FDXPKUHOKJXMHG-UHFFFAOYSA-N	218.208	2.363	10	40	BECB	
CC(=O)CC(=O)CN=Nc1ccccc1	255003910	GDAXGKXBJIMYAY-UHFFFAOYSA-N	204.229	2.319	10	40	BECB	
Cc1cccc(/N=N/c2c(N)n[nH]c2N)c1	96901381	QILCBTCFTLVVLN-BUHFOSPRSA-N	216.248	2.298	10	40	BECB	
Nc1ccc(OS(=O)(=O)c2ccccc2)cc1	1621384	JSSSSGRNRZNMKP-UHFFFAOYSA-N	249.291	2.037	10	40	BECB	
CC(C)=C1C(=O)NN(c2ccc(C)cc2C)C1=O	3211180	WCVVFUGIPHNVKI-UHFFFAOYSA-N	244.294	2.018	10	40	BECB	
Cc1ccc(/C=C2\SC(S)=NC2=O)o1	12408760	UIWYMDIBJKBBKW-DAXSKMNVSA-N	225.294	2.488	10	40	BECB	in-vitro
Cc1cc(C(N)=O)c(C)n1-c1ccccc1F	32686279	PCPQLKSQKYKCCI-UHFFFAOYSA-N	232.258	2.332	10	40	BECB	
C[C@@H]1CN(C=O)c2ccccc2NC1=S	384196	OHFUCZDYOBISQU-MRVPVSSYSA-N	220.297	2.038	10	40	BECB	
COc1ccc(N=NN2CCOCC2)cc1	256001539	SJMCKVRLENPUDX-UHFFFAOYSA-N	221.260	2.026	10	40	BECB	
COc1ccc(CNCCN(C)C2CC2)cc1C	61994521	FBKUXKCNQKOUJH-UHFFFAOYSA-N	248.370	2.187	10	40	BECB	
Cc1cncc(Oc2ccc(N)cc2)n1	12370734	OZPUGVATAOJVLW-UHFFFAOYSA-N	201.229	2.160	10	40	BECB	in-vitro
CCOC(=O)c1[nH]c2c(c1C)CCCC2	81545	VBUIMFUYPUPWSD-UHFFFAOYSA-N	207.273	2.379	10	40	BECB	in-vitro
CC1CCN(Cc2cc3c(cc2O)OCO3)CC1	5067226	GEGGKELFUVXYBL-UHFFFAOYSA-N	249.310	2.353	10	40	BECB	
Nc1ccc(Cc2nc3cc(N)ccc3[nH]2)cc1	4243978	AXHCYBNJRPZLOA-UHFFFAOYSA-N	238.294	2.318	10	40	BECB	
Cc1cc(N2CCOCC2)ccc1/C=C\[N+](=O)[O-]	4457206	CWWALEMHFPAAPJ-PLNGDYQASA-N	248.282	2.079	10	40	BECB	
Cc1ccc(C)n1-c1ccc(C(=O)O)cc1O	266928	FLKQBGZANIUZJR-UHFFFAOYSA-N	231.251	2.498	10	40	BECB	
CSC(=S)NCc1cccs1	39591	OKQRLICNBQOAJD-UHFFFAOYSA-N	203.357	2.486	10	40	BECB	
CC1CCN(C(=O)Cc2ccc(N)cc2)CC1	20154936	QPOKTDLZQJCVNK-UHFFFAOYSA-N	232.327	2.070	10	40	BECB	
CCN1CCC[C@H](Oc2ccc(N)cc2)C1	20351857	PVYJMDBNFADGHY-ZDUSSCGKSA-N	220.316	2.132	10	40	BECB	
C[C@H](N=[N+]=[N-])n1nnnc1-c1ccccc1	5374525	CRYYHPCISBWCNW-SSDOTTSWSA-N	215.220	2.169	10	40	BECB	
COc1cccc(CNCC(F)(F)F)c1O	19428407	IZYVWQZDTVRAKO-UHFFFAOYSA-N	235.205	2.053	10	40	BECB	
COc1ccc(CNC2CCOCC2)cc1C	37269649	NDFLWBXAZGYDPM-UHFFFAOYSA-N	235.327	2.272	10	40	BECB	
CN(C)c1ccc(/C=C/C(=O)N2CCCC2)cc1	32975574	HSNCISYBMWYGKR-JXMROGBWSA-N	244.338	2.388	10	40	BECB	
CC(C)(C)N1CCN(c2ccc(N)cc2)CC1	11756032	KHEUKJILBHLJGP-UHFFFAOYSA-N	233.359	2.189	10	40	BECB	
Nc1ccc(/N=N\c2ccc(O)cc2)c(N)n1	17020277	WVPIAVNLNVZYDZ-NXVVXOECSA-N	229.243	2.367	10	40	BECB	
Cc1cc(C(N)=O)c(C)n1-c1ccccc1	42521372	LEVZPOWFJHMXIY-UHFFFAOYSA-N	214.268	2.193	10	40	BECB	
C[C@H]1[C@H](C)CCCN1C(=O)Cc1ccc(N)cc1	50562908	MVCHDSAOLURIKN-NEPJUHHUSA-N	246.354	2.458	10	40	BECB	
O=C1CSC(=S)N1c1ccc(F)cc1F	1045903	HGXZQOFMYBAQGU-UHFFFAOYSA-N	245.275	2.330	10	40	BECB	
Cc1cn(C)nc1NCc1ccc(N(C)C)cc1	256053864	TXZQVWSWBUWPKB-UHFFFAOYSA-N	244.342	2.407	10	40	BECB	
CC(C)=C1SC(N2CCCCC2)=NC1=O	507223	UFNQFXUPZPPYAY-UHFFFAOYSA-N	224.329	2.396	10	40	BECB	
CC1CCN(c2cc3c(cc2N)OCO3)CC1	32500116	IRJFSRVYAVABHP-UHFFFAOYSA-N	234.299	2.234	10	40	BECB	
CC1=NN(c2ccccc2)C(=O)/C1=C\NC(C)C	4018093	FFJWEWBKJLJYSN-LCYFTJDESA-N	243.310	2.291	10	40	BECB	
C/N=N/C(=O)Nc1ccc(CN(C)C)cc1	5029962	DOWHWOHINLTFHX-WYMLVPIESA-N	220.276	2.362	10	40	BECB	
CCC[C@@H](O)CNCc1ccc(N(C)C)cc1	5839127	PXPAGDFDDBGOGR-CQSZACIVSA-N	236.359	2.003	10	40	BECB	
Oc1ccccc1CNCc1ccncc1	20139788	FYWOWHQABIJWDI-UHFFFAOYSA-N	214.268	2.077	10	40	BECB	
O=C1NC(=S)/C(=C/c2cccnc2)S1	5008969	HXLZPTSNMQTDAN-DAXSKMNVSA-N	222.294	2.206	10	40	BECB	
CC(C)c1nc(COc2ccc(N)cc2)no1	49336920	ZGDPTTAITXXUTI-UHFFFAOYSA-N	233.271	2.354	10	40	BECB	
Nc1ccc(NC(=O)COc2ccccc2)cc1	570000	BKTOTYLPLPCSKV-UHFFFAOYSA-N	242.278	2.286	10	40	BECB	
[N-]=[N+]=CC(=O)[C@H]1O[C@@H]1c1ccc2ccccc2c1	5568114	BAMXBGAPXINRCV-ZIAGYGMSSA-N	238.246	2.149	10	40	BECB	
Nc1ccc(NC(=O)c2cccc(N)c2)cc1	1680650	UDKYPBUWOIPGDY-UHFFFAOYSA-N	227.267	2.103	10	40	BECB	
CC(C)CN1CCN(c2ccc(N)cc2)CC1	11756037	NHDZQBPHYHPPEE-UHFFFAOYSA-N	233.359	2.047	10	40	BECB	
[N-]=[N+]=NC1(N=[N+]=[N-])C(=O)Nc2ccccc2C1=O	95670663	NOCWFGDPAHAVFT-UHFFFAOYSA-N	243.186	2.138	10	40	BECB	
[N-]=[N+]=NCC(=O)NCCc1ccc(Cl)cc1	102917974	XDILZZNKMBPTGB-UHFFFAOYSA-N	238.678	2.309	10	40	BECB	
COc1ccc(/N=N\c2c(N)nn(C)c2N)cc1	17149629	NWQQBZKPONFZBT-PFONDFGASA-N	246.274	2.009	10	40	BECB	
CC1=NO[C@@H](/N=N/c2ccccc2)C1=O	8383783	APGGTAYWMILCGD-PJSNMCHCSA-N	203.201	2.072	10	40	BECB	
Cc1cc(CO)c(C)n1-c1ccc(O)cc1	8701650	BWEOAQLHDKSYDE-UHFFFAOYSA-N	217.268	2.292	10	40	BECB	
COC(C)(C)CCOc1ccc(N)cc1	6678011	HVXGIIITAXVTMD-UHFFFAOYSA-N	209.289	2.463	10	40	BECB	
CCCN(Cc1ccccc1O)C(=O)NCC	65542795	JOBLVSOLESNBGN-UHFFFAOYSA-N	236.315	2.334	10	40	BECB	
Cc1ccc(N)c2c1C(=O)c1ccccc1C2=O	5002812	PHTDHFYUHFJDJW-UHFFFAOYSA-N	237.258	2.353	10	40	BECB	
CCOC(=O)CN/N=N\c1ccccc1C(C)=O	17064558	JSKADQNMVRRCKP-UHFFFAOYSA-N	249.270	2.041	10	40	BECB	
CCc1ccc(NC(=O)CN=[N+]=[N-])cc1	100035900	KNSXMGYEFXHYLH-UHFFFAOYSA-N	204.233	2.498	10	40	BECB	
Nc1ccc(Oc2ccccc2O)nc1	685937253	DRNVLXODJMLVGL-UHFFFAOYSA-N	202.213	2.162	10	40	BECB	
O=C(NCc1ccccc1O)c1ccc(F)cc1	82283111	ZUBIBLCSMCLJDQ-UHFFFAOYSA-N	245.253	2.461	10	40	BECB	
CCOc1cc(C=O)cc(CN2CCCC2)c1O	616575364	BUNWDGJXDNWXRN-UHFFFAOYSA-N	249.310	2.199	10	40	BECB	
CCOC(=O)/C=C\c1ccc(N(C)C)cc1	17197578	MNUCAAWKJBVDCA-YFHOEESVSA-N	219.284	2.329	10	40	BECB	
COc1ccc(-n2c(C)cc(C(N)=O)c2C)cc1	32686276	BIXYLEJLYXJNOW-UHFFFAOYSA-N	244.294	2.202	10	40	BECB	
CN(C)c1ccc(CNc2ccon2)cc1	83348988	RACPDTSORRYTCR-UHFFFAOYSA-N	217.272	2.353	10	40	BECB	
COc1cccc(/N=N/c2c(N)n[nH]c2O)c1	101914767	DREHMIDUIKYIHS-OUKQBFOZSA-N	233.231	2.122	10	40	BECB	
CN(C)CC1CCN(c2ccc(N)cc2)CC1	58945855	RQZFRKKVDQQMAD-UHFFFAOYSA-N	233.359	2.047	10	40	BECB	in-vitro
CCOc1ccc(N(C)[C@H](CC)C(=O)O)cc1	260679548	RGGIJMPJTPAIQH-GFCCVEGCSA-N	237.299	2.385	10	40	BECB	
COc1ccc(N2CCN[C@@H]3CCC[C@@H]32)cc1	225716243	GYDMEXZRIHPMTN-KGLIPLIRSA-N	232.327	2.026	10	40	BECB	
Oc1cc2c(cc1O)[C@@H](c1cccs1)NCC2	3702895	MJJOCGOMYNIPQE-ZDUSSCGKSA-N	247.319	2.394	10	40	BECB	
O=C(Oc1ccccc1)c1cc(O)c(O)c(O)c1	1576053	HBZMQFJTPHSKNH-UHFFFAOYSA-N	246.218	2.023	10	40	BECB	
CCCCN/C=C1/SC(=S)N(CC)C1=O	6591819	GTFMTMIDTBJMMP-BQYQJAHWSA-N	244.385	2.098	10	40	BECB	
O=C1CSC(=S)N1c1ccc(F)c(F)c1	1045155	QTGHXICVAKXHFE-UHFFFAOYSA-N	245.275	2.330	10	40	BECB	
O=Cc1ccc(O)c(CN2CCCCC2)c1	19735605	ANOQAWNFSFYKLF-UHFFFAOYSA-N	219.284	2.191	10	40	BECB	in-vitro
O=C1c2ccccc2C(=O)[C@@H]2C=CC=C[C@H]12	100407550	LGTHAGVUDNBWIT-AOOOYVTPSA-N	210.232	2.424	10	40	BECB	
C[N+](C)(C)Cc1cc(Cl)ccc1O	1679609	NVXYGDYQEJHQDA-UHFFFAOYSA-O	200.689	2.252	10	40	BECB	
CN/C=C1/C(=O)N(c2cccc(Cl)c2)N=C1C	101114458	YKROWJUKVIZTPE-YRNVUSSQSA-N	249.701	2.166	10	40	BECB	
Cc1cc(CO)c(C)n1-c1ccccc1[N+](=O)[O-]	223711931	JPXPHJDULQLNRV-UHFFFAOYSA-N	246.266	2.495	10	40	BECB	
Nc1ccc(Oc2ccc(CC(=O)O)cc2)nc1	685937590	LCGFKKNHKLZHCS-UHFFFAOYSA-N	244.250	2.083	10	40	BECB	
O=c1oc2cc(O)c(O)cc2c2c1CCCC2	985399	BYWQENRDUAFAAH-UHFFFAOYSA-N	232.235	2.083	10	40	BECB	biogenic
Nc1ccc(-n2cc(C(F)(F)F)cn2)cc1	70018469	BOPUAJHAGIAXKV-UHFFFAOYSA-N	227.189	2.473	10	40	BECB	
COc1ccc(N2[C@H]3CC[C@@H]2CC(=O)C3)cc1	13997905	OWKLQIXASBHXKC-TXEJJXNPSA-N	231.295	2.396	10	40	BECB	
CCOc1ccc(N(CC)CCC(=O)O)cc1	20133836	HFEIZLLRPUQJSA-UHFFFAOYSA-N	237.299	2.386	10	40	BECB	
CC1=NO[C@H](/N=N/c2ccccc2)C1=O	101149892	APGGTAYWMILCGD-IUZMTQGWSA-N	203.201	2.072	10	40	BECB	
Nc1n[nH]c(O)c1/N=N/c1ccccc1	100072107	ORRWSNWFDNFTLA-VAWYXSNFSA-N	203.205	2.113	10	40	BECB	
COCc1cc(CNCC(F)F)ccc1OC	12396095	ZKQDXYHXUUWNEI-UHFFFAOYSA-N	245.269	2.196	10	40	BECB	
Cc1ccc(-n2c(C)cc(CO)c2C)nc1	8701645	ZGNKHOYGYYDMTN-UHFFFAOYSA-N	216.284	2.290	10	40	BECB	
Cc1c2c(O)c(O)c(O)cc2c[n+]2ccccc12	1764982	UHXNWXLDTRHDSD-UHFFFAOYSA-O	242.254	2.004	10	40	BECB	
Nc1sccc1C(=O)NCCc1ccccc1	16973212	QEFGHXMAGADYBL-UHFFFAOYSA-N	246.335	2.303	10	40	BECB	
C/C=C/CN1CCN(c2ccc(OC)cc2)CC1	40017884	QGCHIDVJVXOYBD-ONEGZZNKSA-N	246.354	2.393	10	40	BECB	
O=C1CCN(/N=N/c2ccc(Cl)cc2)N1	1395503	DJSZFQALSLSYAE-ACCUITESSA-N	224.651	2.076	10	40	BECB	
Cc1ccc(N2C(=O)CSC2=S)cc1F	1735362	AXZUMBAGHQUORG-UHFFFAOYSA-N	241.312	2.499	10	40	BECB	
Cc1cn(C)nc1NCc1ccccc1O	256054914	YIJPNVVSODAAIP-UHFFFAOYSA-N	217.272	2.046	10	40	BECB	
CC(C)C(=O)NCc1ccc(N(C)C)cc1	12537130	YSSFIJICBYGZDS-UHFFFAOYSA-N	220.316	2.025	10	40	BECB	
CCC(C)(C)c1ccc(O)c(CNCCO)c1	1706334	DCTCEWBSPBIBBC-UHFFFAOYSA-N	237.343	2.162	10	40	BECB	
Oc1cc2c(cc1O)[C@H](c1cccs1)NCC2	3702894	MJJOCGOMYNIPQE-CYBMUJFWSA-N	247.319	2.394	10	40	BECB	
Cc1cc(C=O)c(C)n1-c1ccc(C(N)=O)cc1	5587448	CGCZDUYMNJSZKJ-UHFFFAOYSA-N	242.278	2.006	10	40	BECB	
Cc1c(NCc2ccc(N(C)C)cc2)cnn1C	20351713	FSJQPIAMYYQYKI-UHFFFAOYSA-N	244.342	2.407	10	40	BECB	
C[C@H](NN)c1ccc2ccccc2c1O	19385937	QOPXHFTVSFFHIV-QMMMGPOBSA-N	202.257	2.070	10	40	BECB	
CCCNCc1cccc(OCC)c1O	19488180	FJXFOCDFTUIWCS-UHFFFAOYSA-N	209.289	2.291	10	40	BECB	
Cc1nn(Cc2ccc(N)cc2)c(C)c1C	41043388	ULLRPVAULZLZLE-UHFFFAOYSA-N	215.300	2.439	10	40	BECB	
N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	43471032	XVEVMUDJQHFOGF-SECBINFHSA-N	242.269	2.216	10	40	BECB	in-vitro
CCn1nccc1COc1ccc(N)cc1	72209596	KXTOGTAKWDXWSR-UHFFFAOYSA-N	217.272	2.064	10	40	BECB	
Cc1cc(CN(C)c2ccc3c(c2)OCO3)no1	95440749	BISRSEUGIHQZGJ-UHFFFAOYSA-N	246.266	2.348	10	40	BECB	
Oc1ccccc1[C@H]1CC(c2cccnc2)=NN1	32500968	GVHYUVUYNFYSNR-CYBMUJFWSA-N	239.278	2.226	10	40	BECB	
NC(=O)c1cccc(Oc2ccc(N)cc2)c1	19845897	MCPVWRXXEKBUQF-UHFFFAOYSA-N	228.251	2.160	10	40	BECB	in-vitro
CCN(CC(=O)O)c1ccc(OC)c(Cl)c1	76626324	VBPKQLNOAHTAEI-UHFFFAOYSA-N	243.690	2.260	10	40	BECB	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/O	101307401	QINDUTLRWPDQKV-YRNVUSSQSA-N	216.240	2.159	10	40	BECB	
O=C(O)c1cc2cc(O)c(O)cc2s1	59524448	WXMGXZXENPTLLY-UHFFFAOYSA-N	210.210	2.011	10	40	BECB	
O=[N+]([O-])c1cc2ccccc2c(O)c1O	61887498	MAPFDDLIANARRO-UHFFFAOYSA-N	205.169	2.159	10	40	BECB	
C[C@]12CN([N+](=O)[O-])[C@]3(N=[N+]=[N-])C[C@@H]1CC[C@]23C	100867660	BNEFYAACHREMPQ-AXTSPUMRSA-N	237.263	2.327	10	40	BECB	
O=C1NC(=S)S/C1=C\Nc1ccccc1	103304922	FCNKIZXPLHJALF-VURMDHGXSA-N	236.321	2.088	10	40	BECB	
CC(C)(C)[C@]12C=C[C@H](C(=O)C1=O)[C@H]1C=C[C@@H]12	101051028	MEAXPGNODDHKLO-YCWTYVPXSA-N	216.280	2.159	10	40	BECB	
COc1cccc2c1O[C@@H](CN=[N+]=[N-])C2	215876866	MOYGQEDRUPFDFH-MRVPVSSYSA-N	205.217	2.309	10	40	BECB	
Cc1ccc(Oc2ccc(N)cc2)nn1	40542911	NRSIMTITZCXRLO-UHFFFAOYSA-N	201.229	2.160	10	40	BECB	in-vitro
CN(CC1CCOCC1)c1ccc(N)cc1	60393419	DDISWUXUTFKYBI-UHFFFAOYSA-N	220.316	2.132	10	40	BECB	
CCOc1ccc(N2CCN[C@@H]3CCC[C@H]32)cc1	218845223	FODQGIZRTPBDDL-HUUCEWRRSA-N	246.354	2.416	10	40	BECB	
CCCCCNC(=O)Cc1ccc(N)cc1	19263746	RYICUONRDUFYKX-UHFFFAOYSA-N	220.316	2.118	10	40	BECB	
CCn1cc(NCc2ccc(O)cc2O)c(C)n1	20352794	RYOSULRHNDGYMB-UHFFFAOYSA-N	247.298	2.235	10	40	BECB	
CN(Cc1cc2c(cc1O)OCO2)C1CCCC1	24044987	DHOOMPBAHIAQNU-UHFFFAOYSA-N	249.310	2.495	10	40	BECB	
CCN(C)/N=N\c1ccc(NC(N)=O)cc1	104194098	GMYJCQZHVAGJKO-YPKPFQOOSA-N	221.264	2.128	10	40	BECB	
CCN(CC)c1ccc([C@@H](N)CC(=O)O)cc1	6869909	VFJLUPYHLPGVNV-LBPRGKRZSA-N	236.315	2.007	10	40	BECB	
CN(C)c1ccc([C@@H]2CSCCN2)cc1	306145807	QWUMVXSZNYERIQ-LBPRGKRZSA-N	222.357	2.130	10	40	BECB	
CC1=NNC(=O)/C1=C\c1ccccc1Cl	104344246	PWIHZRNDVGBZIM-TWGQIWQCSA-N	220.659	2.229	10	40	BECB	
N[C@@H](Cc1ccc(O)c(O)c1)c1ccccc1	6582112	XNWPMAPZIHZGJZ-LBPRGKRZSA-N	229.279	2.340	10	40	BECB	
COc1ccc(N2CCN[C@H]3CCCC[C@H]32)cc1	218831904	BIRWFTVTFZUZCC-LSDHHAIUSA-N	246.354	2.416	10	40	BECB	
Cc1ccc(N/C=C/c2cc[n+](C)cc2)nc1	1706601	IAVJRYVABDFXEA-UHFFFAOYSA-O	226.303	2.297	10	40	BECB	
CC(C)c1n[nH]c(COc2ccc(N)cc2)n1	62719603	ZKEQMMWBHAUQLE-UHFFFAOYSA-N	232.287	2.089	10	40	BECB	
CC(=O)c1cc2c(c(O)c1O)CCCC2	4276932	LBAAPONJCKJUQM-UHFFFAOYSA-N	206.241	2.179	10	40	BECB	
NC1=NC(=O)/C(=C/c2cccc(Cl)c2)S1	6974446	HVMYCINPEJXQSU-YVMONPNESA-N	238.699	2.269	10	40	BECB	
Cc1nn(-c2ccc(N)cc2)c(C)c1C	39255087	AHNBIAXAROQNAM-UHFFFAOYSA-N	201.273	2.380	10	40	BECB	
C[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)[C@@H]1C	50562906	MVCHDSAOLURIKN-VXGBXAGGSA-N	246.354	2.458	10	40	BECB	
Nc1ccc(Cc2nc(C(=O)O)cs2)cc1	41581523	OZGPRUUPFHMFOS-UHFFFAOYSA-N	234.280	2.014	10	40	BECB	in-vitro
CC(=O)Nc1cccc(/N=N\N(C)C)c1	101402452	QJUXSRZGPUXZAB-SEYXRHQNSA-N	206.249	2.205	10	40	BECB	
C[n+]1ccccc1/C=C\c1ccc(O)c(O)c1	5049329	ZGGWGQUVNAEQJF-UHFFFAOYSA-O	228.271	2.093	10	40	BECB	
Oc1ccc(/N=N/c2cc(O)nc(O)n2)cc1	100135558	WFCXSZSLXQJFDD-BUHFOSPRSA-N	232.199	2.009	10	40	BECB	in-vitro
O=C1CCN(/N=N/c2cccc(Cl)c2)N1	17861225	VSZYPZVSQQFQIS-ACCUITESSA-N	224.651	2.076	10	40	BECB	
[N-]=[N+]=NC1CN(C(=O)OCc2ccccc2)C1	82164335	VNUXPCQDTYJCEU-UHFFFAOYSA-N	232.243	2.318	10	40	BECB	
O=C(O)c1ccc(O)c(CN2CCCCC2)c1	96530262	QLCCIWBIQKNCQV-UHFFFAOYSA-N	235.283	2.076	10	40	BECB	
CCN(CC)c1ccc(CNC[C@@H](C)O)cc1	6869695	HXOVGIZYEOBOEW-GFCCVEGCSA-N	236.359	2.003	10	40	BECB	
CCOC(=O)CN(C)/N=N\c1ccccc1	104127135	AVLJDFYOSJGKNN-SEYXRHQNSA-N	221.260	2.180	10	40	BECB	
Nc1ccc(Nc2ccc(N)cc2N)cc1	143537028	VMJWTAIQOOIRAV-UHFFFAOYSA-N	214.272	2.177	10	40	BECB	
O=C(O)[C@@H]1Nc2c(F)cccc2[C@H]2C=CC[C@H]21	4110449	LXSOGZGNQOAWFM-JWKOBGCHSA-N	233.242	2.364	10	40	BECB	
COc1ccc(/N=N/c2nc[nH]n2)c(OC)c1	6453961	GPUCAPSMFSQSDX-FYWRMAATSA-N	233.231	2.237	10	40	BECB	
Nc1ccc(OC(=O)Oc2ccc(N)cc2)cc1	1690659	JBBBDGJYVDMMMN-UHFFFAOYSA-N	244.250	2.429	10	40	BECB	
CCN(CC)Cc1cc([N+](=O)[O-])ccc1O	1716717	DFAWSOMDNOMEQL-UHFFFAOYSA-N	224.260	2.142	10	40	BECB	in-vitro
CC/C(C)=C1/SC(=S)N(C(C)=O)C1=O	5414280	WFJSQPCFARAHKU-FNORWQNLSA-N	229.326	2.077	10	40	BECB	
COc1ccc(OC)c(C(=O)CN=[N+]=[N-])c1	72399747	GEHKNYFVUOAZIO-UHFFFAOYSA-N	221.216	2.197	10	40	BECB	in-vitro
CCCCN/C=C1\SC(=S)N(CC)C1=O	101046933	GTFMTMIDTBJMMP-FPLPWBNLSA-N	244.385	2.098	10	40	BECB	
O=C(C(=O)c1ccccn1)c1ccccc1	1698355	YJHZXKQYHAYVOU-UHFFFAOYSA-N	211.220	2.147	10	40	BECB	
CN(C)c1ccc(CNCCCCCO)cc1	13718344	FFSXPAGDUBNZTH-UHFFFAOYSA-N	236.359	2.005	10	40	BECB	
CN(C)c1ccc(/C=C(\S)C(=O)O)cc1	100902486	SMLVBPACIMMDSE-YFHOEESVSA-N	223.297	2.108	10	40	BECB	
COc1ccc(N(C)[C@H](C)C(=O)O)cc1Cl	260134288	QCPFKPSZNSOTQJ-SSDOTTSWSA-N	243.690	2.258	10	40	BECB	
Nc1ccc(OCC(=O)NC2CCCCC2)cc1	19816799	RAFATNZSFWKIKW-UHFFFAOYSA-N	248.326	2.097	10	40	BECB	
O=C(C(=O)c1ccco1)c1ccccc1	1710770	RRHBYDSLXIHTGW-UHFFFAOYSA-N	200.193	2.345	10	40	BECB	
CCOC(=O)CN(C)/N=N/c1ccccc1	18163692	AVLJDFYOSJGKNN-OUKQBFOZSA-N	221.260	2.180	10	40	BECB	
CCOC(=O)c1ccc(NC(=O)CN=[N+]=[N-])cc1	100021951	FLSULPYONYFOKP-UHFFFAOYSA-N	248.242	2.112	10	40	BECB	in-vitro
NC(=O)c1ccccc1Oc1ccc(N)cc1	19845890	FRQOWASRBXEFAF-UHFFFAOYSA-N	228.251	2.160	10	40	BECB	in-vitro
COc1ccc(/N=N/c2nonc2[N+](=O)[O-])cc1	4903940	QHKSQFYQBQXELO-ZHACJKMWSA-N	249.186	2.402	10	40	BECB	
CN1CCCc2cc(CNC(=O)C3CC3)ccc21	58430806	RIXITJGEIQKJAR-UHFFFAOYSA-N	244.338	2.095	10	40	BECB	
CC(C)NC(=O)c1ccc(/N=N/N(C)C)cc1	17062578	IBGBKYORPFAEBZ-CCEZHUSRSA-N	234.303	2.385	10	40	BECB	
CCc1nc2c(o1)-c1ccccc1C(=O)C2=O	653769945	IYYCEDJUCRKKRF-UHFFFAOYSA-N	227.219	2.283	10	40	BECB	
CCN(C(=O)CN=[N+]=[N-])c1ccccc1	101353355	YWLNKOHENSSMPR-UHFFFAOYSA-N	204.233	2.350	10	40	BECB	
CCN(CC)c1ccc([C@H](N)CC(=O)O)cc1	2597544	VFJLUPYHLPGVNV-GFCCVEGCSA-N	236.315	2.007	10	40	BECB	
COc1ccc(/N=N/c2nc[nH]n2)cc1	5243322	PUFHASLUDJKALK-WYMLVPIESA-N	203.205	2.229	10	40	BECB	
COC(=O)c1sc2nc3c(cc2c1N)CCC3	495459	PKYNBLIKDKXYES-UHFFFAOYSA-N	248.307	2.154	10	40	BECB	
Oc1ccc(O)c(CNc2cccnc2)c1	83348523	WXABFZRVPXZOSE-UHFFFAOYSA-N	216.240	2.105	10	40	BECB	
CCCn1cc(CNCc2ccccc2O)cn1	227286359	DKAVIWHCDGAFQY-UHFFFAOYSA-N	245.326	2.289	10	40	BECB	
CCCn1ccc(CNCc2ccccc2O)n1	256054842	YANMQBFJQRBGNX-UHFFFAOYSA-N	245.326	2.289	10	40	BECB	
O=C1CSC(=S)N1c1cc(F)ccc1F	6220190	XYJDAHAMLUMEPG-UHFFFAOYSA-N	245.275	2.330	10	40	BECB	
Oc1ccc(O)c(CN2CCCCC2)c1	4742964	XYMFUHXHJAHYEE-UHFFFAOYSA-N	207.273	2.084	10	40	BECB	
Cc1nonc1/N=N/c1ccc(O)c(C=O)c1	15134027	ONXDREBRQNDEFW-VAWYXSNFSA-N	232.199	2.312	10	40	BECB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\N	17951526	JNLDESXIZOHMNI-FLIBITNWSA-N	247.273	2.171	10	40	BECB	
COc1ccc(CNC2CSC2)cc1C	75152023	OSEQZEOAVLBZNI-UHFFFAOYSA-N	223.341	2.209	10	40	BECB	
CC1=NNC(=O)/C1=C/Nc1ccc(Cl)cc1	12417138	ZLBSFUSQBLOUJQ-UXBLZVDNSA-N	235.674	2.142	10	40	BECB	
CN(C)/N=N\c1ccc(/C=C/C(=O)O)cc1	17106028	UUAVEVPECFBWHW-GNXMJDKCSA-N	219.244	2.345	10	40	BECB	
CCn1cc(COc2ccc(N)cc2)c(C)n1	20351841	MYPVQEACIVOPPH-UHFFFAOYSA-N	231.299	2.373	10	40	BECB	
CONC(=O)c1ccc(-n2c(C)ccc2C)cc1	25826048	QWEWJLCUXIGEFD-UHFFFAOYSA-N	244.294	2.385	10	40	BECB	
CCn1ncc(COc2ccc(N)cc2)c1C	12395067	HAPKSPUBXRDAHO-UHFFFAOYSA-N	231.299	2.373	10	40	BECB	
Cc1nc(N)c(/N=N/c2ccccc2)c(N)n1	18081327	BEFUMGOCHNLNSU-WUKNDPDISA-N	228.259	2.365	10	40	BECB	in-vitro
COc1ccc([C@@H](C)NC(=O)CN=[N+]=[N-])cc1	100035001	SHJFKPXVIGZQHM-MRVPVSSYSA-N	234.259	2.183	10	40	BECB	
CCOC(=O)CCCc1ccc(N)cc1	34076734	LQQLBFZHJXGMCR-UHFFFAOYSA-N	207.273	2.155	10	40	BECB	
Cc1cnn(CCF)c1NCc1ccccc1O	256054102	UYGFVPHUKFIFRD-UHFFFAOYSA-N	249.289	2.479	10	40	BECB	
CN(C)c1ccc(CNCc2ccncc2)cc1	6871517	VPGFDDCPWAZXNV-UHFFFAOYSA-N	241.338	2.437	10	40	BECB	
CC(C)NC(=O)c1ccc(/N=N/N(C)O)cc1	16998950	AOYGQVYHQOYSHZ-BUHFOSPRSA-N	236.275	2.145	10	40	BECB	
Oc1ccccc1CNCCCN1CCCCC1	20128746	PIOKDYPMYWDIRV-UHFFFAOYSA-N	248.370	2.358	10	40	BECB	
CCOc1cc(Sc2nccs2)ncn1	136029384	XOTVPXGOHIAVBF-UHFFFAOYSA-N	239.325	2.483	10	40	BECB	
[N-]=[N+]=NC[C@H]1CC(=O)N(Cc2cccc(F)c2)C1	2087097637	CTAAHYFZMKAZAG-SNVBAGLBSA-N	248.261	2.485	10	40	BECB	
CC(C)N1CCCc2cc(CN)ccc21	807970	CDFBEIUSTOPZHQ-UHFFFAOYSA-N	204.317	2.306	10	40	BECB	in-vitro
COc1ccc(/N=N/c2c(N)nn(C)c2N)cc1	8613392	NWQQBZKPONFZBT-CCEZHUSRSA-N	246.274	2.009	10	40	BECB	
COc1ccc(N2CCCCC2)c(C=O)c1	8702891	JAIKPUBNUVSSKI-UHFFFAOYSA-N	219.284	2.498	10	40	BECB	
C[C@@H](/N=N\c1ccccc1)/N=N/c1nnn[nH]1	17024942	NDSJCTZOWWRLBQ-QSYCZCMOSA-N	230.235	2.413	10	40	BECB	
C[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)[C@H]1C	50562909	MVCHDSAOLURIKN-RYUDHWBXSA-N	246.354	2.458	10	40	BECB	
CCOc1ccc(N(CC)[C@@H](C)C(=O)O)cc1	224998826	FNBNZTBNMSDKIA-JTQLQIEISA-N	237.299	2.385	10	40	BECB	
COc1ccc(-n2c(C)ccc2CO)cc1	223748667	FIAFHXNYYSRPAG-UHFFFAOYSA-N	217.268	2.287	10	40	BECB	
Nc1ccc(Oc2ccc(N)cc2N)cc1	5161901	MCFXXLUSGLPRSU-UHFFFAOYSA-N	215.256	2.226	10	40	BECB	
COC(=O)[C@@H](/N=N/c1ccc(C)cc1)C(C)=O	104325906	GMIZFEHEEQXFCL-JKJHPVACSA-N	234.255	2.209	10	40	BECB	
Cc1nn(CCF)cc1NCc1ccccc1O	256050763	GKDKZWDXCHSTCM-UHFFFAOYSA-N	249.289	2.479	10	40	BECB	
Cc1cc(O)c(CN2CCO[C@H](C)C2)cc1C	12942860	NJHVIQLZAFFDQZ-GFCCVEGCSA-N	235.327	2.230	10	40	BECB	
CC[C@H](N=[N+]=[N-])C(=O)N1CCC(C)CC1	2298159762	KVEYNXRCOWXACX-VIFPVBQESA-N	210.281	2.334	10	40	BECB	
Nc1ccc(Nc2ccc(C(=O)O)cn2)cc1	70453843	IZGUMDJOBGQVAQ-UHFFFAOYSA-N	229.239	2.106	10	40	BECB	
C[C@@H]1C[C@@H]1c1ccc(/C=C2\SC(N)=NC2=O)o1	10219638	BLAXQRBFVKYIMD-ORRWNSOMSA-N	248.307	2.332	10	40	BECB	
COC(=O)[C@@H](/N=N\c1ccc(C)cc1)C(C)=O	104325902	GMIZFEHEEQXFCL-IVPXEPLCSA-N	234.255	2.209	10	40	BECB	
CN(C)c1ccc(CNC(=O)c2ccco2)cc1	12536841	SOQOMRJTJQKCJN-UHFFFAOYSA-N	244.294	2.276	10	40	BECB	
O=C(O)[C@@H]1Nc2c(F)cccc2[C@H]2C=CC[C@@H]21	4110448	LXSOGZGNQOAWFM-VFWDIBGWSA-N	233.242	2.364	10	40	BECB	
CC1CCN(Cc2cc(C(=O)O)ccc2O)CC1	96530264	NQICXGKKYLRPTM-UHFFFAOYSA-N	249.310	2.322	10	40	BECB	
CC[C@@H](C)OC(=O)Cc1ccc(N)cc1	20154901	DQNSWDUJOBCAPC-SECBINFHSA-N	207.273	2.153	10	40	BECB	
Cc1nc(Cc2ccc(O)c(O)c2)c(C)o1	1563480	FGYFXRPLVVPKRH-UHFFFAOYSA-N	219.240	2.293	10	40	BECB	
CC(=O)Nc1cccc(/N=N/N(C)C)c1	18087151	QJUXSRZGPUXZAB-OUKQBFOZSA-N	206.249	2.205	10	40	BECB	
COC(=O)C(CCN=[N+]=[N-])CCN=[N+]=[N-]	642882888	KUKBGTZEADUIBY-UHFFFAOYSA-N	212.213	2.176	10	40	BECB	
CCN(CC)c1cc2c(cc1[N+](=O)[O-])OCO2	32500118	PYLYRHCSVBQCCI-UHFFFAOYSA-N	238.243	2.170	10	40	BECB	
Cc1nc(-c2ccc(O)c(O)c2O)cs1	32501311	YBBLZCFOUCMHJF-UHFFFAOYSA-N	223.253	2.235	10	40	BECB	
Nc1ccc(-n2nnc3ccccc32)cc1	12395864	XGIXQEZHBIDXNZ-UHFFFAOYSA-N	210.240	2.003	10	40	BECB	
CN1CCc2cc(CNc3ncccn3)ccc21	134115230	KOCJWJJDMUUJIC-UHFFFAOYSA-N	240.310	2.081	10	40	BECB	
Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2	1713558	HENHQTJCDFNZOI-UHFFFAOYSA-N	223.231	2.315	10	40	BECB	aggregator
Cc1ccccc1C=C1C(=O)OC(C)(C)OC1=O	3847921	KDSDLWFIWXYRRV-UHFFFAOYSA-N	246.262	2.215	10	40	BECB	biogenic
Cc1cc(=O)oc2c(C)c(O)c(CN(C)C)cc12	2138139	PAXVRKSOMJZBFP-UHFFFAOYSA-N	247.294	2.177	10	40	BECB	biogenic
NC1=NC(=O)/C(=C/c2ccccc2Cl)S1	2458522	GBKGAXSWSBSXCF-YVMONPNESA-N	238.699	2.269	10	40	BECB	
Nc1ccc(OCC(=O)N2CCCCCC2)cc1	9239342	GENDHZXTNKUWCJ-UHFFFAOYSA-N	248.326	2.050	10	40	BECB	
C[C@H]1CN(C=O)c2ccccc2NC1=S	384195	OHFUCZDYOBISQU-QMMMGPOBSA-N	220.297	2.038	10	40	BECB	
CN(C)c1ccc(/C=C/C=C/C(=O)O)cc1	33966477	ZSAPOECVQGXVKJ-GGWOSOGESA-N	217.268	2.407	10	40	BECB	
COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](C(=O)O)N2	4498722	UZSOIZZSGQKUTA-OUJBWJOFSA-N	245.278	2.234	10	40	BECB	
CCOc1ccc(NC(=O)CN=[N+]=[N-])cc1	100035908	UEKPODXEKCNYSI-UHFFFAOYSA-N	220.232	2.334	10	40	BECB	
Nc1ccc(-n2ccc(C(F)F)n2)cc1	685936625	LMFTWAGFCVBJNT-UHFFFAOYSA-N	209.199	2.392	10	40	BECB	
C[C@@H](C(=O)c1ccc(O)c(O)c1)N1CCCCC1	90760542	DIGTYXWSMJMTLM-JTQLQIEISA-N	249.310	2.155	10	40	BECB	
CC(=O)c1ccc(N=NNCCF)cc1	17109314	RWYPAAMVZPRUQB-UHFFFAOYSA-N	209.224	2.447	10	40	BECB	
Oc1ccccc1CNc1cnn(CCF)c1	256052042	LROMHDFFJCDZTP-UHFFFAOYSA-N	235.262	2.170	10	40	BECB	
Nc1ccc(NC(=O)Nc2cccnc2)cc1	35407559	CXMURBWJALKZSX-UHFFFAOYSA-N	228.255	2.308	10	40	BECB	
CCOc1ccccc1NC(=O)CN=[N+]=[N-]	100035899	ZPEUQVOMXIBPEM-UHFFFAOYSA-N	220.232	2.334	10	40	BECB	
CCOC(=O)c1ccc(/N=N/NC)cc1	18043091	JUSKJZDPWIHTRV-UHFFFAOYSA-N	207.233	2.081	10	40	BECB	
CC[C@H](C)Oc1ccc(N2CCNCC2)cc1	19688466	GBVPLZZDVNEWBZ-LBPRGKRZSA-N	234.343	2.274	10	40	BECB	
CCC[C@H](O)CNCc1ccc(N(C)C)cc1	1640947	PXPAGDFDDBGOGR-AWEZNQCLSA-N	236.359	2.003	10	40	BECB	
Nc1ccc(CS(=O)(=O)c2ccccc2)cc1	11851898	YIBZPIMJVFFDPB-UHFFFAOYSA-N	247.319	2.243	10	40	BECB	
C[C@H](NN)c1cc(Cl)cc(Cl)c1O	199536066	CHFYJMOVFBAGIB-BYPYZUCNSA-N	221.087	2.223	10	40	BECB	
O=C1N=C(N2CCCC2)S/C1=C\c1ccco1	5580641	MOQQBQRJVUQXKJ-NTMALXAHSA-N	248.307	2.346	10	40	BECB	
Cc1ccc(/C=C2/SC(=S)N(C)C2=O)o1	12407073	MJFRUBVQKHQTIE-VMPITWQZSA-N	239.321	2.419	10	40	BECB	
N[C@H](CC(=O)O)c1c(O)ccc2ccccc12	2586115	VBNMPXYZUSONDP-SNVBAGLBSA-N	231.251	2.020	10	40	BECB	
O=C(OCC1=CC=CCC1=S)c1cccnc1	21303164	UXQOUTRUKBJEEZ-UHFFFAOYSA-N	245.303	2.495	10	40	BECB	
CC1(C)OC(=O)C(=C/C=C/c2ccco2)C(=O)O1	62050	ACOXJIJEMCZUIA-HWKANZROSA-N	248.234	2.055	10	40	BECB	
COc1ccc([N+](=O)[O-])cc1/N=N\N(C)C	104263158	MXSASNGHSSGWSG-KHPPLWFESA-N	224.220	2.164	10	40	BECB	
[N-]=[N+]=NCC(=O)Nc1ccc(F)cc1F	100021956	JFFJWUJRPCIVPS-UHFFFAOYSA-N	212.159	2.214	10	40	BECB	in-vitro
Nc1ccc(Oc2cccc(C(=O)O)c2)nc1	685937238	CYDMFRGUAAMPDS-UHFFFAOYSA-N	230.223	2.154	10	40	BECB	
COc1ccc(N(C)C2CC2)cc1OC	228912278	RFZDOKFQQODSKR-UHFFFAOYSA-N	207.273	2.302	10	40	BECB	
O=[N+]([O-])c1ccc2cc(O)c(O)cc2c1	352067517	AYMLTGVBYFYDEN-UHFFFAOYSA-N	205.169	2.159	10	40	BECB	
O=C(O)[C@@H]1CCCN1C(=O)/N=N/c1ccccc1	4972412	ZPMZURJRUKFCHI-NJERVBSYSA-N	247.254	2.439	10	40	BECB	
[N-]=[N+]=NCC(=O)NC12CC3CC(CC(C3)C1)C2	102829078	GYQBLUUSTNGHJO-UHFFFAOYSA-N	234.303	2.382	10	40	BECB	
CN(C)c1ccc([C@H](N)C(F)(F)F)cc1	43463998	NUBCHVSMGCNYII-VIFPVBQESA-N	218.222	2.315	10	40	BECB	
O=C(O)c1ccc(/N=N/SCCO)cc1	2346510	XQYXSDKECFGYPC-ZHACJKMWSA-N	226.257	2.109	10	40	BECB	
Nc1ccc(Oc2cccc(O)c2)nc1	257708811	QFGUPTQAKPJVQX-UHFFFAOYSA-N	202.213	2.162	10	40	BECB	
CCOC(=O)/C=C/c1ccc(N(C)C)cc1	1624849	MNUCAAWKJBVDCA-JXMROGBWSA-N	219.284	2.329	10	40	BECB	
COc1cccc(CNC2CCCC2)c1O	19883457	UXZVPHLFAODMJP-UHFFFAOYSA-N	221.300	2.433	10	40	BECB	
Cc1nc(-c2ccc(CC(=O)O)n2C)cs1	44676272	YLRBQHBCYAYBQO-UHFFFAOYSA-N	236.296	2.084	10	40	BECB	
CC(=O)CC(=O)C/N=N\c1ccccc1	100309871	GDAXGKXBJIMYAY-SEYXRHQNSA-N	204.229	2.319	10	40	BECB	
CN/C=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C	5399895	QEHWDYWBZLDSOZ-XFFZJAGNSA-N	249.701	2.166	10	40	BECB	
Nc1ccc(OCC(=O)OC2CCCC2)cc1	20155099	PKVDGMNCHHLBKA-UHFFFAOYSA-N	235.283	2.133	10	40	BECB	
CC(C)(C)[C@@]12C=C[C@H](C(=O)C1=O)[C@H]1C=C[C@@H]12	101051035	MEAXPGNODDHKLO-MAGOMRGPSA-N	216.280	2.159	10	40	BECB	
CN(C)Cc1cccc(Br)c1O	1671169	XGSQSDLOTZZGRI-UHFFFAOYSA-N	230.105	2.216	10	40	BECB	
CC1(C)CC(=S)C=C(N2CCOCC2)C1	101460455	FSALARLWURQIHF-UHFFFAOYSA-N	225.357	2.392	10	40	BECB	
CC(C)N(C)/N=N\c1ccc(C(N)=O)cc1	104184849	RXYAEHSXNHSVJE-YPKPFQOOSA-N	220.276	2.124	10	40	BECB	
[N-]=[N+]=NCC(=O)c1ccccc1[N+](=O)[O-]	166244556	RIHMTWZEHXABJH-UHFFFAOYSA-N	206.161	2.088	10	40	BECB	
CC1(c2ccccn2)C(=O)c2ccccc2C1=O	4523034	NRUZCPLUZGZWJO-UHFFFAOYSA-N	237.258	2.419	10	40	BECB	
COc1ccc(N2CCNCC23CCCC3)cc1	16945528	KNUUTQGNHIMDOK-UHFFFAOYSA-N	246.354	2.418	10	40	BECB	
Nc1ccc(CCC(=O)N2CCCCC2)cc1	20186516	ZNTZYHMTIXIZRW-UHFFFAOYSA-N	232.327	2.214	10	40	BECB	
COc1cc(C=O)cc(CN2CCCCC2)c1O	82312199	PANXAUCRSRTYRE-UHFFFAOYSA-N	249.310	2.199	10	40	BECB	
CN(C)c1ccc(/N=N/c2nonc2N)cc1	5334173	HUBALHNZQRDZMP-OUKQBFOZSA-N	232.247	2.133	10	40	BECB	
CN(C)/N=N/c1cccc(/C=C/C(=O)O)c1	13897593	ZQDCXYBLIZTDMQ-GYIPPJPDSA-N	219.244	2.345	10	40	BECB	
COc1ccc(N2CCN[C@H]3CCC[C@H]32)cc1	218843425	GYDMEXZRIHPMTN-UONOGXRCSA-N	232.327	2.026	10	40	BECB	
O=C(O)[C@@H]1CCCN1C(=O)/N=N\c1ccccc1	104124574	ZPMZURJRUKFCHI-DZOVYVGFSA-N	247.254	2.439	10	40	BECB	
O=C1c2ccccc2C(=O)c2c1nc1ccccn21	1457678	ODZICWQLLDFFSS-UHFFFAOYSA-N	248.241	2.110	10	40	BECB	
COc1ccc(N2CCSCC2)cc1	87005	FLRIAGFBHZHKLT-UHFFFAOYSA-N	209.314	2.248	10	40	BECB	
COc1ccc(N2CCN[C@@H]3CCC[C@H]32)cc1	218843355	GYDMEXZRIHPMTN-ZIAGYGMSSA-N	232.327	2.026	10	40	BECB	
Cc1ccc(/N=N/NCCCCN)cc1	6487164	YIOSPWSCVFIQNX-UHFFFAOYSA-N	206.293	2.322	10	40	BECB	
CN(C)c1nc(-c2ccc(O)c(O)c2)cs1	57943094	YIEJWTCKWXFWGE-UHFFFAOYSA-N	236.296	2.287	10	40	BECB	
C[Sn](C)(C)N=[N+]=[N-]	169996707	OSJRGDBEYARHLX-UHFFFAOYSA-N	205.837	2.132	10	40	BECB	
Cc1ccc(O)c(CN[C@@H](C)[C@@H]2CCCO2)c1	71406860	SYYXXXJUCWVIEI-FZMZJTMJSA-N	235.327	2.358	10	40	BECB	
Cc1ncc(Oc2ccc(N)cc2)cn1	96528189	XNBTVKFEFGZKAM-UHFFFAOYSA-N	201.229	2.160	10	40	BECB	
[N-]=[N+]=NC[C@@H]1CC(=O)N(Cc2ccccc2F)C1	1889040177	HMHWTMDIGXBMMT-VIFPVBQESA-N	248.261	2.485	10	40	BECB	
Cc1cc(NCc2ccccc2O)nn1C	20352750	VEAQZGMMZVOKOZ-UHFFFAOYSA-N	217.272	2.046	10	40	BECB	
COc1ccc(N2CCCCC2)c(N)c1	12860210	KQLGPEOFPYOBBX-UHFFFAOYSA-N	206.289	2.268	10	40	BECB	
CCN(CC)c1ccc(CNC[C@H](C)O)cc1	6869696	HXOVGIZYEOBOEW-LBPRGKRZSA-N	236.359	2.003	10	40	BECB	
COC(=O)c1cccc(/N=N/N(C)C)c1	16954536	VIHRSKPFPROVEQ-VAWYXSNFSA-N	207.233	2.034	10	40	BECB	
CCN(CC)c1ccc(CNC(C)=O)cc1	193745865	HWQILCFDTSCWTN-UHFFFAOYSA-N	220.316	2.169	10	40	BECB	
CN(C)Cc1cc(Cl)c(O)c(CN(C)C)c1	1671182	XITXAAZUAPOOOW-UHFFFAOYSA-N	242.750	2.169	10	40	BECB	in-vitro
Oc1ccc(C[C@H]2CC3CCN2CC3)cc1O	92968	QBJJRDVOLFIZEN-GFCCVEGCSA-N	233.311	2.125	10	40	BECB	biogenic,in-vitro
Cc1ccnc(-n2c(C)cc(CO)c2C)c1	8701692	CVEOMTDVPCSZEB-UHFFFAOYSA-N	216.284	2.290	10	40	BECB	
C[C@@H]1CCCCN1C(=O)COc1ccc(N)cc1	20155116	WZWUGEGNBGBXAA-LLVKDONJSA-N	248.326	2.049	10	40	BECB	
Cc1cc2c(N)c(C(=O)O)sc2nc1C	217726613	PUOJAHDYNVYFLX-UHFFFAOYSA-N	222.269	2.194	10	40	BECB	
COc1ccc2c(c1)C[C@H](CN=[N+]=[N-])O2	218735261	ZJPVMFOFTAILPS-SECBINFHSA-N	205.217	2.309	10	40	BECB	
[N-]=[N+]=CC(=O)[C@@H]1O[C@@H]1c1ccc2ccccc2c1	5568112	BAMXBGAPXINRCV-KGLIPLIRSA-N	238.246	2.149	10	40	BECB	
COC(=O)c1ccc(OC)c(CN=[N+]=[N-])c1	72333115	YKMPYFDVOPPTCM-UHFFFAOYSA-N	221.216	2.292	10	40	BECB	
CCN(CC)Cc1cc(OC)ccc1O	1768406	LHWYIGTXOZCFPM-UHFFFAOYSA-N	209.289	2.243	10	40	BECB	in-vitro
CCc1c(C)c2ccc(O)c(O)c2oc1=O	11765916	MEILYHQQVCKSFL-UHFFFAOYSA-N	220.224	2.075	10	40	BECB	
CCNCc1ccc(N2CCC(OC)CC2)cc1	37266676	ATAZLXMCUDNBRS-UHFFFAOYSA-N	248.370	2.411	10	40	BECB	in-vitro
COC(=O)c1ccccc1/N=N/N(C)C	17857149	BAGBQDMUYKXJIR-VAWYXSNFSA-N	207.233	2.034	10	40	BECB	
CCn1cc(CNCc2ccccc2O)c(C)n1	20352497	UDNWCMSLAXQKJM-UHFFFAOYSA-N	245.326	2.207	10	40	BECB	
CCN(CC)c1ccc(OC)cc1[N+](=O)[O-]	45958849	SJPHABGIKGBEFX-UHFFFAOYSA-N	224.260	2.450	10	40	BECB	
COC(=O)c1ccccc1/N=N\N(C)C	104077669	BAGBQDMUYKXJIR-QXMHVHEDSA-N	207.233	2.034	10	40	BECB	
Nc1ccc(CCOc2ccc(N)cc2)cc1	1669769	UMKLOKPZRGTHPN-UHFFFAOYSA-N	228.295	2.473	10	40	BECB	
Cc1cc(C(=O)O)c(C)n1-c1ccccn1	12528120	ZKFHNXWVHGPBRH-UHFFFAOYSA-N	216.240	2.187	10	40	BECB	in-vitro
Cc1ccc(/N=N/c2c(N)n[nH]c2N)cc1	18223118	MDJILMQDTKUXND-BUHFOSPRSA-N	216.248	2.298	10	40	BECB	
Nc1ccc(Cn2cc(Cl)cn2)cc1	4245378	ZWVCRULBPPLGSR-UHFFFAOYSA-N	207.664	2.167	10	40	BECB	
NC(=O)c1ccc(Oc2ccc(N)cc2)cc1	19845883	PGXRZMVBLFFQQS-UHFFFAOYSA-N	228.251	2.160	10	40	BECB	in-vitro
CCN(CC)c1ccc(CN2CC[C@H](N)C2)cc1	96523475	WANKUXZSYXHQJQ-AWEZNQCLSA-N	247.386	2.066	10	40	BECB	
CCN(CC)c1ccc(CNCCCNC)cc1	57362402	SADJFIAWRXKFQP-UHFFFAOYSA-N	249.402	2.232	10	40	BECB	
Cc1nn(C)cc1NCc1ccccc1O	20352752	DEEXCBQPZLZOPU-UHFFFAOYSA-N	217.272	2.046	10	40	BECB	
COc1ccc(N2CCCC2)c([N+](=O)[O-])c1	39170058	SACNSBGCFYKJBI-UHFFFAOYSA-N	222.244	2.204	10	40	BECB	
Oc1ccc(Cl)cc1CNC[C@@H]1CCCO1	819562	NQTHKICQVNXBEE-NSHDSACASA-N	241.718	2.314	10	40	BECB	
N=C(N)Sc1cc(O)c(O)c2ccccc12	4722807	HYDKXZNYSGLQFY-UHFFFAOYSA-N	234.280	2.237	10	40	BECB	
CCN(CC)c1ccc([C@@H]2NCCO2)cc1	4794207	XPGULLTZJPRARC-CYBMUJFWSA-N	220.316	2.151	10	40	BECB	
N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	43471030	XVEVMUDJQHFOGF-VIFPVBQESA-N	242.269	2.216	10	40	BECB	in-vitro
CCCN(c1ccc(OC)cc1)[C@@H](C)C(=O)O	224997964	ZITUTFVQGHZEDM-JTQLQIEISA-N	237.299	2.385	10	40	BECB	
C[C@@H](NC1CCC(O)CC1)c1ccccc1O	19918660	IBENYMQKHMECRB-VOMCLLRMSA-N	235.327	2.346	10	40	BECB	
Cc1cc2oc(=O)cc(C)c2c(O)c1CN(C)C	94993478	MGZLHHLLODBZHB-UHFFFAOYSA-N	247.294	2.177	10	40	BECB	
CN(C)c1ccc(CNC(=O)C(C)(C)C)cc1	12538263	PZEXYLSDVUJNHO-UHFFFAOYSA-N	234.343	2.415	10	40	BECB	
Cc1ccc(/N=N\c2c(N)n[nH]c2N)cc1	102677877	MDJILMQDTKUXND-YPKPFQOOSA-N	216.248	2.298	10	40	BECB	
Cc1ccc(O)c(CN[C@H](C)[C@H]2CCCO2)c1	71406863	SYYXXXJUCWVIEI-BXUZGUMPSA-N	235.327	2.358	10	40	BECB	
Nc1nc(N)c(/N=N/c2ccccc2)cc1O	22056673	BVBZFKYOQZLANE-FOCLMDBBSA-N	229.243	2.367	10	40	BECB	in-vitro
Cc1ccc(Cl)c2c1CC(=[N+]=[N-])C2=O	4683068	CEOOIRHRJQQBRC-UHFFFAOYSA-N	206.632	2.058	10	40	BECB	
Nc1ccc(OC(=O)c2ccccc2)cc1	1673654	OFZBREYRUUQJQG-UHFFFAOYSA-N	213.236	2.488	10	40	BECB	
C[C@]12CN([N+](=O)[O-])[C@]3(N=[N+]=[N-])C[C@@H]1CC[C@@]23C	100867661	BNEFYAACHREMPQ-AATLWQCWSA-N	237.263	2.327	10	40	BECB	
CN(C)c1ccc([C@@H](CN)N2CCCCC2)cc1	32497021	JRZFNDSCZVTJGQ-OAHLLOKOSA-N	247.386	2.238	10	40	BECB	
C[C@@H](NN)c1ccc(N2CCCCC2)cc1	199536804	ZOMOHUZOHOXBBK-LLVKDONJSA-N	219.332	2.201	10	40	BECB	
CCOc1cc(O)c([C@H](C)N)c(OCC)c1	26896472	DGANSTMBCATEBE-QMMMGPOBSA-N	225.288	2.209	10	40	BECB	
CCOc1ccc(/N=N/c2c(N)n[nH]c2N)cc1	103655102	ODPOGQSYGUPSLP-CCEZHUSRSA-N	246.274	2.388	10	40	BECB	
CCOc1ccc(N(C)CCCC(=O)O)cc1	157314311	ZGDDQJMYLJDDJZ-UHFFFAOYSA-N	237.299	2.386	10	40	BECB	
CCc1ccccc1NC(=O)CN=[N+]=[N-]	100035865	LVDGITIFJLTIOQ-UHFFFAOYSA-N	204.233	2.498	10	40	BECB	
O=C1CSC(=S)N1c1cccc(F)c1	1013712	VXWKCDITSXADSD-UHFFFAOYSA-N	227.285	2.190	10	40	BECB	
CCOC(=O)[C@@H](/N=N\c1ccccc1)C(C)=O	100441592	YBKOBYPTHJKDFK-IVPXEPLCSA-N	234.255	2.291	10	40	BECB	
CN(C)c1ccc(/C=C2/SC(=O)NC2=O)cc1	1909787	FONFGNGCCZIGRM-JXMROGBWSA-N	248.307	2.077	10	40	BECB	
CCOC(=O)C=Cc1ccc(N(C)C)cc1	1857795730	MNUCAAWKJBVDCA-UHFFFAOYSA-N	219.284	2.329	10	40	BECB	
Nc1ccc(N2C(=O)CC[C@@H]2C(F)(F)F)cc1	256052198	MHWVCQWXHMDLHT-SECBINFHSA-N	244.216	2.327	10	40	BECB	
O=C(O)[C@H]1CCCN1C(=O)/N=N/c1ccccc1	16951665	ZPMZURJRUKFCHI-WBNXYMAISA-N	247.254	2.439	10	40	BECB	
Cn1cccc1/C=C1\N=C2CCCCCN2C1=O	3230699	DQJOGJGBUQJSFG-BENRWUELSA-N	243.310	2.181	10	40	BECB	
COc1cccc(CNCc2cccnc2)c1O	4677199	IAXVZYQZYZFOEI-UHFFFAOYSA-N	244.294	2.086	10	40	BECB	
CC1=NNC(=O)/C1=C/c1ccccc1Cl	17288311	PWIHZRNDVGBZIM-RMKNXTFCSA-N	220.659	2.229	10	40	BECB	
COc1cc2c3c(c1)CCCN3CCC2	3638037	XFGXXDZMUXGJKA-UHFFFAOYSA-N	203.285	2.394	10	40	BECB	
CC[C@@H](C)Oc1ccc(N2CCNCC2)cc1	19688464	GBVPLZZDVNEWBZ-GFCCVEGCSA-N	234.343	2.274	10	40	BECB	
Nc1ccc(N2CCN(CC3CCC3)CC2)cc1	88133466	KXNIBLBYCUGKLH-UHFFFAOYSA-N	245.370	2.191	10	40	BECB	in-vitro
CCOC(=O)c1sc2nccc(C)c2c1N	6570114	NIOPIQWFRKIXQT-UHFFFAOYSA-N	236.296	2.364	10	40	BECB	
C[C@@H]1C[C@@H]1C(=O)NCc1ccc(N(C)C)cc1	12537889	DWBXUSXXASDCEB-MFKMUULPSA-N	232.327	2.025	10	40	BECB	
CCCn1nccc1CNCc1ccccc1O	160215067	SSOGMHYOYXNUBU-UHFFFAOYSA-N	245.326	2.289	10	40	BECB	
CC(=O)C[C@@H](NC(=O)CN=[N+]=[N-])c1ccccc1	66032873	CWNWVCFDGNZKIW-LLVKDONJSA-N	246.270	2.133	10	40	BECB	
Nc1c(C(=O)O)sc2nc3c(cc12)CCC3	19798271	QMMAONSBNGBEMX-UHFFFAOYSA-N	234.280	2.065	10	40	BECB	
Nc1ccc(CC(=O)Nc2ccccc2O)cc1	70216751	GFEVCNPENCTJAI-UHFFFAOYSA-N	242.278	2.156	10	40	BECB	
O=c1c2cc(O)c(O)cc2oc2cccc(O)c12	14822017	SIYGDHCRSSTGRT-UHFFFAOYSA-N	244.202	2.063	10	40	BECB	biogenic
CN1CCCc2cc(/C=C/C(=O)O)ccc21	39947647	PCWGKTAQBXMCJP-FNORWQNLSA-N	217.268	2.167	10	40	BECB	in-vitro
CN(C)Cc1c(O)ccc2c1CCCC2	71790870	AOAZGRJQCNGUBY-UHFFFAOYSA-N	205.301	2.333	10	40	BECB	in-vitro
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\N(C)C	12368675	NDUXQUUOMHAQDG-LCYFTJDESA-N	243.310	2.163	10	40	BECB	
Nc1nc(Cl)c(/N=N\c2ccccc2)c(=O)[nH]1	101410775	KQEFVDTYQOKIKO-NXVVXOECSA-N	249.661	2.421	10	40	BECB	
Nc1ccc(CC(=O)Nc2ccccc2)cc1	20185759	HZPCBHRYKRNPEI-UHFFFAOYSA-N	226.279	2.450	10	40	BECB	
CCN1CCC[C@@H](Oc2ccc(N)cc2)C1	20351856	PVYJMDBNFADGHY-CYBMUJFWSA-N	220.316	2.132	10	40	BECB	
C[C@@H](N=[N+]=[N-])n1nnnc1-c1ccccc1	17064522	CRYYHPCISBWCNW-ZETCQYMHSA-N	215.220	2.169	10	40	BECB	
Cc1ccc(C)n1-c1ccc(C(=O)O)cn1	45796207	CZCMUEDNTFUBGJ-UHFFFAOYSA-N	216.240	2.187	10	40	BECB	
Cc1ccc(NCc2ccc(O)c(O)c2)cn1	83357236	CXBWUYKISHSMMB-UHFFFAOYSA-N	230.267	2.413	10	40	BECB	
C[C@H](NN)c1ccc(N2CCCCC2)cc1	199536788	ZOMOHUZOHOXBBK-NSHDSACASA-N	219.332	2.201	10	40	BECB	
CCc1cccc(NC(=O)NC(=O)CN=[N+]=[N-])c1	101353342	YRTSRPKLJMMXIZ-UHFFFAOYSA-N	247.258	2.207	10	40	BECB	
C[n+]1ccc(/C=C/c2ccc(O)c(O)c2)cc1	1713051	UKVHUWCUANIQSE-UHFFFAOYSA-O	228.271	2.093	10	40	BECB	
CCOc1ccc(N2CCN[C@@H]3CCC[C@@H]32)cc1	225716801	FODQGIZRTPBDDL-CABCVRRESA-N	246.354	2.416	10	40	BECB	
CCn1cc(COc2ccc(N)cc2)cn1	20351840	OBTDMSJAKFQRDA-UHFFFAOYSA-N	217.272	2.064	10	40	BECB	
O=C1c2cc([N+](=O)[O-])ccc2-c2ncccc21	492913	UHKGMCVBCVDFKM-UHFFFAOYSA-N	226.191	2.201	10	40	BECB	
CN(C)c1ccc(CNc2cnn(C)c2)cc1	20351627	BDLQLKGWPBBKEB-UHFFFAOYSA-N	230.315	2.098	10	40	BECB	
CC1(C)COCCN1Cc1ccccc1O	95981485	MKJYPNARTCHQSE-UHFFFAOYSA-N	221.300	2.003	10	40	BECB	
[N-]=[N+]=N[C@@H]1CCc2ccccc2NC1=O	100419693	PDFYKDYEFKYENU-SECBINFHSA-N	202.217	2.250	10	40	BECB	in-vitro
Nc1ccc(NC(=O)c2ccccc2O)cc1	72666	ACVACKIEZDGXND-UHFFFAOYSA-N	228.251	2.227	10	40	BECB	
Cc1ccc(CCS(=O)(=O)N=[N+]=[N-])cc1	5181342	MADPENMEXCSHLO-UHFFFAOYSA-N	225.273	2.178	10	40	BECB	
CCOC(=O)C(F)(F)Sc1nccs1	217573299	VEMICJPULVYRSJ-UHFFFAOYSA-N	239.268	2.391	10	40	BECB	
CCc1c(C)c2cc(O)c(O)cc2oc1=O	11765923	CYKBBPDQSAVNHN-UHFFFAOYSA-N	220.224	2.075	10	40	BECB	
O=C1CSC(=S)N1c1c(F)cccc1F	96170810	LIFZSXUZMJESNW-UHFFFAOYSA-N	245.275	2.330	10	40	BECB	
CN(C)c1ccc(CNc2cnccn2)cc1	12534819	NOOYGJUXBAVLCA-UHFFFAOYSA-N	228.299	2.155	10	40	BECB	
C[C@H]1C[C@@H]1C(=O)NCc1ccc(N(C)C)cc1	12537891	DWBXUSXXASDCEB-GWCFXTLKSA-N	232.327	2.025	10	40	BECB	
Cc1ccc(O)c(CN[C@H](C)[C@@H]2CCCO2)c1	71406861	SYYXXXJUCWVIEI-RISCZKNCSA-N	235.327	2.358	10	40	BECB	
CC(=O)N(c1ccncc1)c1ccc(N)cc1	5882070	PFDAZPHDCLIWSQ-UHFFFAOYSA-N	227.267	2.348	10	40	BECB	
Cc1n[nH]c(/N=N\c2ccc(O)cc2)n1	18205462	ZEUCMUNWWGISSI-OWBHPGMISA-N	203.205	2.234	10	40	BECB	
Cc1ccnc(NC=Cc2cc[n+](C)cc2)c1	1706595	HBXMCYCECVCORA-UHFFFAOYSA-O	226.303	2.297	10	40	BECB	
CCC(=O)NCc1ccc2c(c1)CCCN2C	58265464	CATOCIYFYDHYJS-UHFFFAOYSA-N	232.327	2.095	10	40	BECB	
CCN(CC)c1ccc(/C=C/C(=O)O)c(O)c1	60206924	VWBFGYKRYYRVTH-SOFGYWHQSA-N	235.283	2.336	10	40	BECB	
Cc1cc(C(=O)CN)c(C)n1-c1ccc(F)cc1	98063830	FALFASWDPWMBPR-UHFFFAOYSA-N	246.285	2.375	10	40	BECB	
COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)O)N2	4498727	UZSOIZZSGQKUTA-OPQQBVKSSA-N	245.278	2.234	10	40	BECB	
COc1cc(OC)c(N2CCCC2)cc1C=O	26509898	INEIQXWAKGUJJS-UHFFFAOYSA-N	235.283	2.117	10	40	BECB	
Cc1ccc(Nc2ccc(N)cc2)nn1	41044997	UULTUEVZRMUEDR-UHFFFAOYSA-N	200.245	2.111	10	40	BECB	
COc1ccc2c(c1)C(=O)[C@H]1C=CC=C[C@H]1C2=O	100352699	DDPBSPJTORKEOO-MNOVXSKESA-N	240.258	2.433	10	40	BECB	
Oc1ccccc1CNCc1ccccn1	4677193	QKSKEROUBXANPB-UHFFFAOYSA-N	214.268	2.077	10	40	BECB	in-vitro
COc1ccc([N+](=O)[O-])cc1/N=N/N(C)C	18182123	MXSASNGHSSGWSG-ZHACJKMWSA-N	224.220	2.164	10	40	BECB	
Nc1ccc(CNC(=O)c2ccccc2)cc1	32015194	HSOAUQWKKMLFFZ-UHFFFAOYSA-N	226.279	2.199	10	40	BECB	
CCCCN1CCN(c2ccc(N)cc2)CC1	8030939	UFVUOUCMEATLAN-UHFFFAOYSA-N	233.359	2.191	10	40	BECB	
CC[C@@H](NN)c1cc(Br)ccc1O	19392927	YHNXNBURXZLDCH-MRVPVSSYSA-N	245.120	2.069	10	40	BECB	
Cc1cccc(NC(=O)NC(=O)CN=[N+]=[N-])c1C	101353338	HOOUXLDWXLRMFK-UHFFFAOYSA-N	247.258	2.262	10	40	BECB	
CN(C(=O)/C=C/c1cnn(C)c1)c1ccccc1	40461231	TZNDUXJSULZHRB-CMDGGOBGSA-N	241.294	2.096	10	40	BECB	
C[C@H]1C[C@@H](C)CN(C(=O)Cc2ccc(N)cc2)C1	20154940	OTPYCCBWZNRZKC-TXEJJXNPSA-N	246.354	2.316	10	40	BECB	
Nc1ccc(N2CCCC[C@H]2CCO)cc1	22164224	JUJVNTRWJQHLEI-LBPRGKRZSA-N	220.316	2.010	10	40	BECB	
CCN(CC)CCCNc1ccc(N)cc1	4353505	FFFPNITUUYVPSH-UHFFFAOYSA-N	221.348	2.413	10	40	BECB	
Oc1ccc(F)cc1CNCc1ccncc1	83358643	GVRMUXVTMXOBAY-UHFFFAOYSA-N	232.258	2.216	10	40	BECB	
Cc1ncccc1NCc1ccc(O)c(O)c1	91495488	LNYIKQMVJXKWOM-UHFFFAOYSA-N	230.267	2.413	10	40	BECB	
Nc1ccc(NC(=O)CN2CCCCCC2)cc1	22152489	XRTWYRGWBPNOAM-UHFFFAOYSA-N	247.342	2.083	10	40	BECB	
Cc1cc(NCc2ccc(N(C)C)cc2)nn1C	20351665	GRVKWWVHUFMJCB-UHFFFAOYSA-N	244.342	2.407	10	40	BECB	
CCCCCN1C(=O)CSC1=S	11692210	AKTPBPSFULBPGQ-UHFFFAOYSA-N	203.332	2.037	10	40	BECB	
CC(=O)Nc1ccc(/N=N\N(C)C)cc1	104139366	KTBWSGZJCVRIRH-SEYXRHQNSA-N	206.249	2.205	10	40	BECB	
CCN(CCCC(=O)O)c1ccc(OC)cc1	224997816	RHHAUKWVXQBTQH-UHFFFAOYSA-N	237.299	2.386	10	40	BECB	
CCN(CC)Cc1cc(C=O)cc(OC)c1O	218651931	YGFPLTDKECKJCK-UHFFFAOYSA-N	237.299	2.055	10	40	BECB	
[N-]=[N+]=N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1	100615740	MGRQVDRDRGXBRW-SNVBAGLBSA-N	234.234	2.456	10	40	BECB	in-vitro
Cc1cnc2c(c1C)C(=O)c1ccccc1C2=O	1650653	MXDHBCCAQVBBFF-UHFFFAOYSA-N	237.258	2.474	10	40	BECB	
Cc1n[nH]c(C)c1/N=N/c1nc[nH]c1[N+](=O)[O-]	4478081	ASDNWIFBOFHDLN-BUHFOSPRSA-N	235.207	2.073	10	40	BECB	
Cc1cccc(C)c1NC(=O)NC(=O)CN=[N+]=[N-]	101353336	ZKNQRSLEGVXNOQ-UHFFFAOYSA-N	247.258	2.262	10	40	BECB	
Nc1ccc(Nc2ccc(Cl)nn2)cc1	2505998	CQCFVSQYNMLSKH-UHFFFAOYSA-N	220.663	2.456	10	40	BECB	
Nc1ccc(-n2nccc2C(F)(F)F)cc1	19517222	WHXPARGWUUDDPF-UHFFFAOYSA-N	227.189	2.473	10	40	BECB	
Nc1ccc(CC(=O)NCc2ccccc2)cc1	19262860	OUIHBOMOUPBFPP-UHFFFAOYSA-N	240.306	2.128	10	40	BECB	
C[C@@H](NN)c1cc(Cl)cc(Cl)c1O	199536080	CHFYJMOVFBAGIB-SCSAIBSYSA-N	221.087	2.223	10	40	BECB	
CCOc1ccc(N(C)[C@@H](CC)C(=O)O)cc1	224998771	RGGIJMPJTPAIQH-LBPRGKRZSA-N	237.299	2.385	10	40	BECB	
NC(=S)N/N=N/c1ccc(Cl)cc1	6415191	HPBAJYADQMYQNF-UHFFFAOYSA-N	214.681	2.172	10	40	BECB	
CNc1nc(-c2ccc(O)c(O)c2)cs1	24033882	JWBXSZCJGVQWDR-UHFFFAOYSA-N	222.269	2.263	10	40	BECB	
CCN(CC)c1ccc([C@H](C)NN)cc1	199536974	LCQZLGBXGMNNAX-JTQLQIEISA-N	207.321	2.057	10	40	BECB	
Oc1cccc(-c2cccc(O)c2O)c1O	6091722	AIEZFWSIZQLXEG-UHFFFAOYSA-N	218.208	2.176	10	40	BECB	
C[C@@H]1C[C@H]1c1ccc(/C=C2\SC(N)=NC2=O)o1	10219641	BLAXQRBFVKYIMD-OHGZJSFGSA-N	248.307	2.332	10	40	BECB	
[N-]=[N+]=NS(=O)(=O)c1ccc(Cl)cc1	4794727	WQBQDHDUGLLGHT-UHFFFAOYSA-N	217.637	2.339	10	40	BECB	in-vitro
COc1cc(Nc2ccc(N)cc2)nc(C)n1	26478797	YJSTVHSDVAXIMJ-UHFFFAOYSA-N	230.271	2.119	10	40	BECB	
NC(=O)N(Cc1ccco1)Cc1ccccc1O	40556035	PIYJGQMPUXSCHZ-UHFFFAOYSA-N	246.266	2.066	10	40	BECB	
[N-]=[N+]=NC[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1	2087097638	MSLSNBQWXXAKDR-JTQLQIEISA-N	248.261	2.485	10	40	BECB	
O=C1NC(=S)S/C1=C\c1ccccc1	1088586	OONWCXLYKDWKOU-VURMDHGXSA-N	221.306	2.175	10	40	BECB	in-vivo
Oc1ccccc1CNCC(F)(F)F	19485141	FXMKWWDDFZOYGT-UHFFFAOYSA-N	205.179	2.044	10	40	BECB	
CN(C)/N=N/c1ccc(/C=C\C(=O)O)cc1	17106026	UUAVEVPECFBWHW-UIOQUTRASA-N	219.244	2.345	10	40	BECB	
Cc1cncc(NCc2ccc(O)c(O)c2)c1	227541396	FFLZIWRFKORBEI-UHFFFAOYSA-N	230.267	2.413	10	40	BECB	
Oc1ccc2ccccc2c1/N=N\c1nnn[nH]1	103780443	NWCCNBZJEHBRTP-SEYXRHQNSA-N	240.226	2.474	10	40	BECB	
CCCCC(=O)C(=O)c1ccc(O)cc1O	1563291	KNOULTNCRFHHED-UHFFFAOYSA-N	222.240	2.040	10	40	BECB	
COC(=O)c1sc2c(c1O)CCCC2	96029621	YLNJOZZBVZBPRI-UHFFFAOYSA-N	212.270	2.119	10	40	BECB	
C[C@H]1C[C@H](C)CN(C(=O)Cc2ccc(N)cc2)C1	20154943	OTPYCCBWZNRZKC-RYUDHWBXSA-N	246.354	2.316	10	40	BECB	
Cc1cc(=O)oc2c(CNC(C)C)c(O)ccc12	32501335	AVZAWDKDHLDPIF-UHFFFAOYSA-N	247.294	2.305	10	40	BECB	
Cc1ccc(O)c([C@H](NN)c2ccccc2)c1	199533880	QTORQDBCGAQJET-CQSZACIVSA-N	228.295	2.253	10	40	BECB	
CCN(CC)c1ccc([C@H]2NCCO2)cc1	4794210	XPGULLTZJPRARC-ZDUSSCGKSA-N	220.316	2.151	10	40	BECB	
[N-]=[N+]=CC(=O)[C@H]1O[C@H]1c1ccc2ccccc2c1	5568117	BAMXBGAPXINRCV-UONOGXRCSA-N	238.246	2.149	10	40	BECB	
CCN(CC)Cc1cc(C(C)=O)ccc1O	20268099	WAEQXRCDSKZJNU-UHFFFAOYSA-N	221.300	2.437	10	40	BECB	in-vitro
CC(C)(C)OC(=O)N1CC[C@@H](N=[N+]=[N-])C1	59868609	BRNQETRAMMATCR-SSDOTTSWSA-N	212.253	2.306	10	40	BECB	
CCCC1=[N+](CC)CCn2c(C)ccc21	499183	DKJNKHUVLAYULT-UHFFFAOYSA-N	205.325	2.432	10	40	BECB	
Oc1ccccc1CNc1ccccn1	553314	IIGHOJWCQPXLBR-UHFFFAOYSA-N	200.241	2.399	10	40	BECB	
COc1ccc(C(=S)/C=C/N(C)C)cc1	16163034	IIBWIARVWDNXNB-CMDGGOBGSA-N	221.325	2.489	10	40	BECB	
CN(C)c1ccc([N+](=O)[O-])c2c1CCC2	4822812	CEKBCMCTWFHCCG-UHFFFAOYSA-N	206.245	2.150	10	40	BECB	
CN(C)c1ccc(CNc2ccn(C)n2)cc1	20351607	GRWBVQMXYLRBHH-UHFFFAOYSA-N	230.315	2.098	10	40	BECB	
CCN(CC)Cc1cc(C=O)ccc1O	31937716	WTRUVRCKAUTZTO-UHFFFAOYSA-N	207.273	2.047	10	40	BECB	
COc1ccc(C(=O)CN=[N+]=[N-])cc1OC	108433113	JCJSNOIUDTXZSI-UHFFFAOYSA-N	221.216	2.197	10	40	BECB	
Cc1cnn(C)c1NCc1ccccc1O	256050956	HEKKBPNLOTVBEM-UHFFFAOYSA-N	217.272	2.046	10	40	BECB	
O=C(O)[C@H]1CCCN1C(=O)/N=N\c1ccccc1	104124570	ZPMZURJRUKFCHI-YAWLZAOSSA-N	247.254	2.439	10	40	BECB	
CCn1nc(C)cc1NCc1ccc(O)cc1O	256052463	NLEHUZFQAJKPQH-UHFFFAOYSA-N	247.298	2.235	10	40	BECB	
Nc1ccc(Oc2ccc3c(c2)OCO3)nc1	19843534	JDLMNOVMXCXJLG-UHFFFAOYSA-N	230.223	2.185	10	40	BECB	
Cc1ccc(C=O)n1Cc1ccc(C(=O)O)cc1	226032575	DODGDHMPZDDDQB-UHFFFAOYSA-N	243.262	2.356	10	40	BECB	
COc1ccc2c(N)c3cccc[n+]3cc2c1	1564604	ZCXHODOIZZNZKA-UHFFFAOYSA-N	225.271	2.169	10	40	BECB	
Nc1ccc(OCCOCC(F)(F)F)cc1	36671673	LKUSUXSMGIDPTI-UHFFFAOYSA-N	235.205	2.227	10	40	BECB	
CC(=O)C(=O)Cc1ccc(Br)cc1	84546477	OVWVBRYBHOMVEH-UHFFFAOYSA-N	241.084	2.150	10	40	BECB	
CC(=O)C(/N=N\c1ccccc1)C(C)=O	100068400	KZPRCESDIPAEAE-SEYXRHQNSA-N	204.229	2.317	10	40	BECB	
Oc1c(/N=N\c2nnn[nH]2)ccc2ccccc12	100368089	WTOMASUNAPBPMR-SEYXRHQNSA-N	240.226	2.474	10	40	BECB	
Cc1nc(Nc2ccc(N)cc2)cc(N(C)C)n1	206579610	PUGSPBNIJIPSDU-UHFFFAOYSA-N	243.314	2.177	10	40	BECB	
O=C(NCc1ccc(N2CCCC2)cc1)C1CC1	28336838	GLBGROSERRNFOC-UHFFFAOYSA-N	244.338	2.313	10	40	BECB	
COc1ccc(C(=O)c2ccccc2)c(O)c1O	1704046	FUDSTWAOSUDFKD-UHFFFAOYSA-N	244.246	2.337	10	40	BECB	biogenic,in-vitro
CCn1cc(NCc2ccccc2O)cn1	20352754	YMYCHRHMBSRBAN-UHFFFAOYSA-N	217.272	2.221	10	40	BECB	
Nc1ccc(Oc2ccc(C(=O)O)cc2)nc1	15021050	YRVUUSCJSWKUMK-UHFFFAOYSA-N	230.223	2.154	10	40	BECB	
CCOC(Cc1ccc(N)cc1)OCC	78210650	IPYRJQIMOSQDNE-UHFFFAOYSA-N	209.289	2.210	10	40	BECB	in-vitro
C[C@@H](/N=N\c1ccccc1)/N=N\c1nnn[nH]1	104167713	NDSJCTZOWWRLBQ-ZRZICWAWSA-N	230.235	2.413	10	40	BECB	
CCOc1ccc(N2CCN[C@H]3CCC[C@H]32)cc1	218845314	FODQGIZRTPBDDL-LSDHHAIUSA-N	246.354	2.416	10	40	BECB	
CC(=O)c1cccc(NC(=O)CN=[N+]=[N-])c1	100021907	AWGYJTGMOQPBHQ-UHFFFAOYSA-N	218.216	2.138	10	40	BECB	in-vitro
O[C@@H]1CCCC[C@H]1NCc1ccc2c(c1)CCO2	52001209	FBZILXMMRMXCFY-ZIAGYGMSSA-N	247.338	2.015	10	40	BECB	
CN(C)c1ccc(/N=N/c2n(C)cc[n+]2C)cc1	5161587	YLNDNABNWASMFD-UHFFFAOYSA-N	244.322	2.331	10	40	BECB	in-vitro
O=c1c2ccc(O)c(O)c2oc2cccc(O)c12	6525318	QVQLOWQNIFSVLU-UHFFFAOYSA-N	244.202	2.063	10	40	BECB	biogenic,in-vitro
CCCN(c1ccc(OC)cc1)[C@H](C)C(=O)O	260680955	ZITUTFVQGHZEDM-SNVBAGLBSA-N	237.299	2.385	10	40	BECB	
Nc1ccc(CCCN2CCCC2)cc1	20192322	AQBMSMUTFHUYKC-UHFFFAOYSA-N	204.317	2.297	10	40	BECB	
CCCCC(=O)C(=O)c1ccc(O)c(C)c1O	1561429	SYNXDXRPOITMQJ-UHFFFAOYSA-N	236.267	2.348	10	40	BECB	
C/C(CC(C)C)=C1/SC(=S)NC1=O	40541555	UPDORWALEMUVJX-SREVYHEPSA-N	215.343	2.454	10	40	BECB	
N[C@@H](CC(=O)O)c1c(O)ccc2ccccc12	8022417	VBNMPXYZUSONDP-JTQLQIEISA-N	231.251	2.020	10	40	BECB	
O[C@H]1CCCC[C@@H]1NCc1ccc2c(c1)CCO2	52001207	FBZILXMMRMXCFY-KBPBESRZSA-N	247.338	2.015	10	40	BECB	
[N-]=[N+]=CC(=O)C12CC3CC(CC(C3)C1)C2	4837086	GONIHHFXBAOLKR-UHFFFAOYSA-N	204.273	2.073	10	40	BECB	
Oc1cccc(Cl)c1CNC[C@H]1CCCO1	83551324	MTVBRBGUYQXSTH-SECBINFHSA-N	241.718	2.314	10	40	BECB	
Nc1cccc(F)c1N[C@H]1CC[C@H](O)CC1	100809984	QMKNUGVOFMXQFA-DTORHVGOSA-N	224.279	2.123	10	40	BECB	
CC(C)N(C)/N=N/c1ccc(C(N)=O)cc1	1763145	RXYAEHSXNHSVJE-BUHFOSPRSA-N	220.276	2.124	10	40	BECB	
CC(=O)Nc1ccc(/N=N/N(C)C)cc1	18038379	KTBWSGZJCVRIRH-OUKQBFOZSA-N	206.249	2.205	10	40	BECB	
Cc1c(NCc2ccccc2O)cnn1C	12395442	ODMZOMYJLBRKMY-UHFFFAOYSA-N	217.272	2.046	10	40	BECB	
CC1=C/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)O1	8602866	KOSBNALBHPXVQA-FNORWQNLSA-N	221.168	2.032	10	40	BECB	
Oc1cccc(Cl)c1CNC[C@@H]1CCCO1	83551322	MTVBRBGUYQXSTH-VIFPVBQESA-N	241.718	2.314	10	40	BECB	
CC[C@H](NN)c1cc(Br)ccc1O	19392930	YHNXNBURXZLDCH-QMMMGPOBSA-N	245.120	2.069	10	40	BECB	
CCS(=O)(=O)Nc1cc(Cl)c(O)cc1C	11691677	PCXVHHSZCUYOLX-UHFFFAOYSA-N	249.719	2.116	10	40	BECB	
Cc1c(O)ccc2c1C(=O)c1ccccc1C2=O	38255067	GKYPACIJAKRPRI-UHFFFAOYSA-N	238.242	2.476	10	40	BECB	
OCc1cccnc1NCc1cccc(F)c1O	83378228	XIEKBZNEGZXSQA-UHFFFAOYSA-N	248.257	2.031	10	40	BECB	
Nc1ccc(Oc2cccc(CC(=O)O)c2)nc1	685937875	YELPFZZCUNADDL-UHFFFAOYSA-N	244.250	2.083	10	40	BECB	
Nc1n[nH]c(N)c1/N=N/c1ccccc1F	101911801	MHCSFMGVRGGIQV-BUHFOSPRSA-N	220.211	2.129	10	40	BECB	
CC(=O)NCc1cc2c3c(c1)CCCN3CCC2	4776089	WOOZZHNYELOODN-UHFFFAOYSA-N	244.338	2.022	10	40	BECB	
COP(=O)(OC)C(=[N+]=[N-])c1ccccc1	5431553	BMHFWKUQTVEQTM-UHFFFAOYSA-N	226.172	2.149	10	40	BECB	
CC(C)COc1ccc(N2CC[C@H](O)C2)cc1	96528303	SWJOVGUTFUAODC-ZDUSSCGKSA-N	235.327	2.292	10	40	BECB	
CN(C)c1ccc([C@@H](N)C(F)(F)F)cc1	43464000	NUBCHVSMGCNYII-SECBINFHSA-N	218.222	2.315	10	40	BECB	
CC(C)(C)C(=O)NCc1ccccc1O	82277382	XZYDLTRGWHSWDK-UHFFFAOYSA-N	207.273	2.055	10	40	BECB	
O=C(C(=O)c1ccncc1)c1ccccc1	1710773	LXHDDNZEFUEFDI-UHFFFAOYSA-N	211.220	2.147	10	40	BECB	
O=[N+]([O-])c1c(Cl)cc2nonc2c1Cl	4834533	KUNPAEZEACUAOQ-UHFFFAOYSA-N	233.998	2.438	10	40	BECB	
C[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)[C@@H]1C	50562907	MVCHDSAOLURIKN-NWDGAFQWSA-N	246.354	2.458	10	40	BECB	
[N-]=[N+]=NCC(=O)c1cccc([N+](=O)[O-])c1	107339279	ZBAITERRPWFQOH-UHFFFAOYSA-N	206.161	2.088	10	40	BECB	
COc1cc(C=O)c(N2CCCC2)cc1OC	118860002	YQTRTFJBVIWMAT-UHFFFAOYSA-N	235.283	2.117	10	40	BECB	
Nc1ccc(Oc2ccc(O)cc2)nc1	223106450	UUGQQVSXWKQLPQ-UHFFFAOYSA-N	202.213	2.162	10	40	BECB	
CCOC(=O)c1ccc(/N=N/N(C)C)cc1	18323893	PDOLRHLZGYQIGP-OUKQBFOZSA-N	221.260	2.424	10	40	BECB	
CCN1C(=O)/C(=C/c2ccc[nH]2)SC1=S	16972231	ANUITJNKUAXUPX-VURMDHGXSA-N	238.337	2.236	10	40	BECB	
CCCn1ccc(NCc2ccc(O)cc2O)n1	20352793	KONINABMFMBQDJ-UHFFFAOYSA-N	247.298	2.316	10	40	BECB	
C[C@]12CN([N+](=O)[O-])[C@]3(N=[N+]=[N-])C[C@H]1CC[C@]23C	8242850	BNEFYAACHREMPQ-UTINFBMNSA-N	237.263	2.327	10	40	BECB	
CCN(CC)c1ccc(CNCCN(C)C)cc1	20083562	IDXHPKYDTKRWJS-UHFFFAOYSA-N	249.402	2.184	10	40	BECB	
CCOc1ccc(N(C)Cc2nnc(C)o2)cc1	71916192	BAPVRCSPZJSNQJ-UHFFFAOYSA-N	247.298	2.413	10	40	BECB	
Oc1cc2c(cc1O)[C@@H](c1ccccc1)NCC2	4724913	BLHNHEFDFAQSIF-OAHLLOKOSA-N	241.290	2.333	10	40	BECB	
COc1ccc(N(C)CCCF)c(OC)c1	131725483	COLJITYZWIWDRA-UHFFFAOYSA-N	227.279	2.500	10	40	BECB	
Cc1n[nH]c(C(F)(F)F)c1/N=N\N(C)C	104106118	KLDRDWKGWGISSV-OWBHPGMISA-N	221.186	2.297	10	40	BECB	
COC(=O)c1ccc(/N=N/N(C)C)cc1	16954537	QBIUIDQLFKGAPD-VAWYXSNFSA-N	207.233	2.034	10	40	BECB	
Nc1ccc(OCc2cn3ccccc3n2)cc1	19399555	TVJLDIGGBRVMKH-UHFFFAOYSA-N	239.278	2.496	10	40	BECB	in-vitro
Oc1ccc(Cl)cc1CNC[C@H]1CCCO1	819561	NQTHKICQVNXBEE-LLVKDONJSA-N	241.718	2.314	10	40	BECB	
CCOc1sc(C(=O)OC)c(O)c1Cl	96510967	UKVJZERGDSAGGW-UHFFFAOYSA-N	236.676	2.292	10	40	BECB	
CCCN1CCCc2cc(CN)ccc21	846374	HMHYSHNUJGNYIX-UHFFFAOYSA-N	204.317	2.308	10	40	BECB	
COc1ccc2c(c1)C(=O)[C@H]1C=CC=C[C@@H]1C2=O	100352695	DDPBSPJTORKEOO-QWRGUYRKSA-N	240.258	2.433	10	40	BECB	
COc1ccc(N(CCF)CCF)cc1	1760271	LWJTVLYUEVLXAJ-UHFFFAOYSA-N	215.243	2.441	10	40	BECB	
[N-]=[N+]=NC[C@H]1Cc2cc(C=O)ccc2O1	45286454	URWFEZVAEYRSTR-SECBINFHSA-N	203.201	2.113	10	40	BECB	
CC1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)O1	1096756	UZJOKNWPCVCPLB-XYOKQWHBSA-N	230.267	2.069	10	40	BECB	in-vitro
Nc1ccc(Oc2ccc(C=O)cc2)nc1	144043579	SUBSJYXCZJPIRD-UHFFFAOYSA-N	214.224	2.269	10	40	BECB	
Oc1ccc(-c2ccc(O)c(O)c2)cc1O	1720100	MZEFNGQKJROKHS-UHFFFAOYSA-N	218.208	2.176	10	40	BECB	
COc1ccc(N2[C@H]3CC[C@H]2CC(=O)C3)cc1	100491723	OWKLQIXASBHXKC-RYUDHWBXSA-N	231.295	2.396	10	40	BECB	
CN(C)/N=N/c1ccc(/C=C/C(=O)O)cc1	1565205	UUAVEVPECFBWHW-WPLHEFJGSA-N	219.244	2.345	10	40	BECB	
CC1=NNC(=O)/C1=C\Nc1ccc(Cl)cc1	95921847	ZLBSFUSQBLOUJQ-POHAHGRESA-N	235.674	2.142	10	40	BECB	
[N-]=[N+]=NS(=O)(=O)c1cccc2cccnc12	4934507	IAMILVJKLUOALO-UHFFFAOYSA-N	234.240	2.234	10	40	BECB	
CC[C@H](C)OC(=O)Cc1ccc(N)cc1	20154903	DQNSWDUJOBCAPC-VIFPVBQESA-N	207.273	2.153	10	40	BECB	
Cc1cc(C)nc(COc2ccc(N)cc2)n1	82541611	SJQOXSAYBXYZDE-UHFFFAOYSA-N	229.283	2.255	10	40	BECB	
CCc1ncc(Oc2ccc(N)cc2)cn1	96528191	ZVODRPYWVZWYOE-UHFFFAOYSA-N	215.256	2.414	10	40	BECB	
[N-]=[N+]=NCC(=O)Nc1cc(F)ccc1F	100035885	MQIQFMFVANUUSN-UHFFFAOYSA-N	212.159	2.214	10	40	BECB	
C/C(=C/c1ccc(N(C)C)cc1)[N+](=O)[O-]	69294	XLLDXYINDPHTJG-HJWRWDBZSA-N	206.245	2.390	10	40	BECB	
O=C1c2ccccc2C(=O)[C@@H]2C=CC=C[C@@H]12	18323041	LGTHAGVUDNBWIT-NXEZZACHSA-N	210.232	2.424	10	40	BECB	
NC(=O)c1ccc(NCc2ccccc2O)cc1	19911314	OLVMXEZZDLLATB-UHFFFAOYSA-N	242.278	2.103	10	40	BECB	in-vitro
CCCCOC(=O)Cc1ccc(N)cc1	20154899	GGMXYFOBLZTSDR-UHFFFAOYSA-N	207.273	2.155	10	40	BECB	
C[N+](C)(C)c1ccc(/C=C/[N+](=O)[O-])cc1	2026109	VTQAJMCNJWAABT-CMDGGOBGSA-N	207.253	2.131	10	40	BECB	
CC(=O)CC(=O)C/N=N/c1ccccc1	100309874	GDAXGKXBJIMYAY-OUKQBFOZSA-N	204.229	2.319	10	40	BECB	
Nc1ccc(/N=N/c2ccc(O)cc2)c(N)n1	100366617	WVPIAVNLNVZYDZ-FOCLMDBBSA-N	229.243	2.367	10	40	BECB	
Nc1ccc(CC(=O)NCc2cccs2)cc1	36667015	CFZYYCWPHCAMAB-UHFFFAOYSA-N	246.335	2.189	10	40	BECB	
Cc1n[nH]c(-c2cccnc2)c1/N=N\N(C)C	102873443	WCVFHKQIIKJXTB-NXVVXOECSA-N	230.275	2.340	10	40	BECB	
CC(=O)OC(C)(C)/N=N/C(C)(C)OC(C)=O	5063785	PZILQNGWHUGDLZ-VAWYXSNFSA-N	230.264	2.037	10	40	BECB	
CC(C)n1cc(NCc2ccc(O)cc2O)cn1	61682693	PKCKPVJVYWGFFC-UHFFFAOYSA-N	247.298	2.487	10	40	BECB	
CC(C)n1nccc1CNCc1ccccc1O	256051993	LLBJJKSCJLMQMH-UHFFFAOYSA-N	245.326	2.459	10	40	BECB	
CCOC(=O)[C@H]1CCCCN1c1ccc(N)cc1	26896362	SYKSWMRKMBTSMG-CYBMUJFWSA-N	248.326	2.191	10	40	BECB	
O=C(C(=O)c1ccccc1O)c1ccccc1O	38392758	AGAURCCLJKMAEJ-UHFFFAOYSA-N	242.230	2.163	10	40	BECB	
Cc1cc(N)c2c(c1)C(=O)c1ccccc1C2=O	3845301	FWGWRVYOSWSNEQ-UHFFFAOYSA-N	237.258	2.353	10	40	BECB	biogenic
C[C@@H]1C[C@H]1NCc1ccc(N2CCOCC2)cc1	52272515	BNLDBZOMLUERKT-IUODEOHRSA-N	246.354	2.021	10	40	BECB	
COc1ccc(N2CCN(C(C)C)CC2)cc1	22008046	VMCCWHRVXHFPSR-UHFFFAOYSA-N	234.343	2.226	10	40	BECB	
CCN(CC)CCNCc1ccc(N(C)C)cc1	19919121	QHUIDNKZEYRKRT-UHFFFAOYSA-N	249.402	2.184	10	40	BECB	
Nc1ccc(Cc2nc3ncccc3o2)cc1	73639996	WJIMXNWSEQIZQM-UHFFFAOYSA-N	225.251	2.396	10	40	BECB	
CN(C(=O)Cc1ccc(N)cc1)c1ccccc1	1750891	QRLQEHRLYHBDCZ-UHFFFAOYSA-N	240.306	2.474	10	40	BECB	
CCOC(=O)[C@@H]1CCCN(c2ccc(N)cc2)C1	26896354	SIHMOCUKGLIOKH-LLVKDONJSA-N	248.326	2.048	10	40	BECB	
CNCc1cc(Cl)cc(Cl)c1O	22143662	RXXZQETZKIFORS-UHFFFAOYSA-N	206.072	2.418	10	40	BECB	
CC(=O)C[C@H](NC(=O)CN=[N+]=[N-])c1ccccc1	66032872	CWNWVCFDGNZKIW-NSHDSACASA-N	246.270	2.133	10	40	BECB	
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2	1064584	UZSOIZZSGQKUTA-NRUUGDAUSA-N	245.278	2.234	10	40	BECB	
CC(C)(C)OC(=O)N1CC[C@H](N=[N+]=[N-])C1	34213159	BRNQETRAMMATCR-ZETCQYMHSA-N	212.253	2.306	10	40	BECB	
Cc1nn(C)cc1NCc1ccc(N(C)C)cc1	20351688	OLJFCXUSWOOGMC-UHFFFAOYSA-N	244.342	2.407	10	40	BECB	
CC(C)(C)c1nc(COc2ccc(N)cc2)n[nH]1	62719611	PCDKHWLOAQNGTB-UHFFFAOYSA-N	246.314	2.263	10	40	BECB	
CCCCC[N+]1=Cc2cc(O)c(O)cc2CC1	1663941	BVATYSKDXHUUNO-UHFFFAOYSA-O	234.319	2.276	10	40	BECB	
O=C(O)[C@@H]1Nc2c(F)cccc2[C@@H]2C=CC[C@H]12	58850824	LXSOGZGNQOAWFM-QOSJWCAFSA-N	233.242	2.364	10	40	BECB	
C[C@H](CCc1ccccc1)NC(=O)CN=[N+]=[N-]	100034709	JOEXUPHQWDNDRL-SNVBAGLBSA-N	232.287	2.434	10	40	BECB	
CC(=O)OC(C)(C)/N=N\C(C)(C)OC(C)=O	104148855	PZILQNGWHUGDLZ-QXMHVHEDSA-N	230.264	2.037	10	40	BECB	
Oc1ccccc1CNCc1ccco1	3277975	SAVJAEPQZMRVHE-UHFFFAOYSA-N	203.241	2.275	10	40	BECB	in-vitro
S=CC1=C2NCCCN2[C@H]2CCCC[C@@H]12	1080383	PKKFXCVBJFFZJO-ONGXEEELSA-N	222.357	2.065	10	40	BECB	biogenic
CN/N=N/c1ccc(C(=O)NC(C)C)cc1	18167641	PLYZEIBJRYAYOG-UHFFFAOYSA-N	220.276	2.043	10	40	BECB	
CC(C)(C)[C@]12C=C[C@@H](C(=O)C1=O)[C@H]1C=C[C@@H]12	101051025	MEAXPGNODDHKLO-RBQUTUCGSA-N	216.280	2.159	10	40	BECB	
CN(C)c1ccc(CNCc2ccccn2)cc1	5879060	UGTJQRPKKZWVPJ-UHFFFAOYSA-N	241.338	2.437	10	40	BECB	
CCOc1cccc(CNC(C)C)c1O	19880573	BRXWCYZQTBURED-UHFFFAOYSA-N	209.289	2.289	10	40	BECB	
CN(C)c1ccc(/C=C2/CCOC2=O)cc1	16968469	GQHNDMLBKQUGIZ-LUAWRHEFSA-N	217.268	2.083	10	40	BECB	
CC(C)COC(=O)Cc1ccc(N)cc1	41043728	GPJJFGQPMPVCPH-UHFFFAOYSA-N	207.273	2.011	10	40	BECB	
O=C(CSc1nccs1)NCC1CCC1	71972747	TXJMWXOULOPCLX-UHFFFAOYSA-N	242.369	2.152	10	40	BECB	
COc1ccc(Oc2ccc(N)cn2)cc1	92676	HJLNKGPHCMMHMO-UHFFFAOYSA-N	216.240	2.465	10	40	BECB	in-vitro
COC(=O)[C@H](/N=N\c1ccc(C)cc1)C(C)=O	104325911	GMIZFEHEEQXFCL-LYZGCBJASA-N	234.255	2.209	10	40	BECB	
Oc1cc2oc3cc(O)c(O)cc3c2cc1O	5732173	VNDIJIRLCXPKRR-UHFFFAOYSA-N	232.191	2.408	10	40	BECB	
COc1cc2c3c(c1)[C@H](O)CC[N+]3(C)CCC2	1623651	VRVPCLQZKMXFRQ-AFYYWNPRSA-N	234.319	2.016	10	40	BECB	
Cc1cc(NCc2ccc(N(C)C)cc2)n(C)n1	237094205	KIYIQRJIKKYLKH-UHFFFAOYSA-N	244.342	2.407	10	40	BECB	
Cc1ccc(-c2c(C)sc(N)[n+]2C)cc1	479835	UIAXZDUCGIGCEQ-UHFFFAOYSA-O	219.333	2.439	10	40	BECB	
Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1	235518	MWUCSURZWUDISB-UHFFFAOYSA-N	238.246	2.069	10	40	BECB	
COc1ccc(N(C)[C@@H](C)C(=O)O)cc1Cl	225002540	QCPFKPSZNSOTQJ-ZETCQYMHSA-N	243.690	2.258	10	40	BECB	
Cc1ccccc1NN1C(=O)CSC1=S	3111762	MYFCQIOREAJFBB-UHFFFAOYSA-N	238.337	2.182	10	40	BECB	
COc1ccc([C@H](C)NC(=O)CN=[N+]=[N-])cc1	100035000	SHJFKPXVIGZQHM-QMMMGPOBSA-N	234.259	2.183	10	40	BECB	
CN(C)c1ccc(/C=C2\SC(=O)NC2=O)cc1	12403083	FONFGNGCCZIGRM-YFHOEESVSA-N	248.307	2.077	10	40	BECB	
c1ccc(N/N=N/c2ncnc3[nH]cnc23)cc1	18067510	JLMDYQQIGYDEND-UHFFFAOYSA-N	239.242	2.464	10	40	BECB	
CC(C)=CCc1cc(C(=O)O)cc(O)c1O	13334596	NMAKQSXJWYBYRF-UHFFFAOYSA-N	222.240	2.305	10	40	BECB	biogenic,in-vitro
C[C@H]1C[C@H]1NCc1ccc(N2CCOCC2)cc1	52272517	BNLDBZOMLUERKT-SWLSCSKDSA-N	246.354	2.021	10	40	BECB	
C[C@H]1CCCN(CCOc2ccc(N)cc2)C1	8703253	ZCHHQXRDJOPTAX-LBPRGKRZSA-N	234.343	2.380	10	40	BECB	
O=c1c2cccc(O)c2oc2c(O)c(O)ccc12	14822078	GYXLJFKBGTVCHD-UHFFFAOYSA-N	244.202	2.063	10	40	BECB	
Oc1ccc(C[C@@H]2CC3CCN2CC3)cc1O	92972	QBJJRDVOLFIZEN-LBPRGKRZSA-N	233.311	2.125	10	40	BECB	biogenic,in-vitro
CCN(C)/N=N/c1ccc(NC(N)=O)cc1	18059513	GMYJCQZHVAGJKO-BUHFOSPRSA-N	221.264	2.128	10	40	BECB	
Nc1n[nH]c(O)c1N=Nc1ccccc1	254096196	ORRWSNWFDNFTLA-UHFFFAOYSA-N	203.205	2.113	10	40	BECB	
Oc1c(O)c(Cl)c2c(c1Cl)CCNC2	90698112	JOJNZTCDAPEKEI-UHFFFAOYSA-N	234.082	2.050	10	40	BECB	
C[C@@H](NN)c1ccc2ccccc2c1O	19385934	QOPXHFTVSFFHIV-MRVPVSSYSA-N	202.257	2.070	10	40	BECB	
CC(=O)c1ccc[n+](C(=O)Cc2ccccc2)c1	386973	QPVCBXIAZPENPC-UHFFFAOYSA-N	240.282	2.060	10	40	BECB	
Cc1n[nH]c(C(F)(F)F)c1/N=N/N(C)C	16924215	KLDRDWKGWGISSV-WYMLVPIESA-N	221.186	2.297	10	40	BECB	
COc1cccc(CNc2cccnc2)c1O	19884290	PUBKYBDRIMVLLI-UHFFFAOYSA-N	230.267	2.408	10	40	BECB	
CC(C)C(=O)NCc1ccc2c(c1)CCCN2C	58299264	FKVBMCRUXJLWMR-UHFFFAOYSA-N	246.354	2.341	10	40	BECB	
CCOC(=O)c1sc2ncccc2c1O	259977122	FIJVFNTYLLARGM-UHFFFAOYSA-N	223.253	2.179	10	40	BECB	
NC1CCN(c2ccc(OC(F)F)cc2)CC1	36905641	WDOFOKCKINDSCH-UHFFFAOYSA-N	242.269	2.216	10	40	BECB	in-vitro
Nc1ccc(Oc2ccccc2C=O)nc1	685937356	HGCQBOFSFWMYGJ-UHFFFAOYSA-N	214.224	2.269	10	40	BECB	
C[N+](C)(C)c1ccc(/C=C\[N+](=O)[O-])cc1	5493350	VTQAJMCNJWAABT-HJWRWDBZSA-N	207.253	2.131	10	40	BECB	
CC1=NNC(=O)/C1=C/c1cc2ccccc2[nH]1	11565442	WKTFHNRAKUXLGL-YRNVUSSQSA-N	225.251	2.057	10	40	BECB	
O=[N+]([O-])c1cccc2cc(O)c(O)cc12	34619343	LDYYFPIQYNIWIW-UHFFFAOYSA-N	205.169	2.159	10	40	BECB	
CCOC(=O)c1cccn1-c1ccc(N)cc1	216810318	RAPCUDZILQVZLW-UHFFFAOYSA-N	230.267	2.236	10	40	BECB	
O[C@H]1CCCC[C@H]1NCc1ccc2c(c1)CCO2	52001205	FBZILXMMRMXCFY-KGLIPLIRSA-N	247.338	2.015	10	40	BECB	
CCN(CC)c1ccc(CNCCOC)cc1	4676824	DAURESXJEQKKQF-UHFFFAOYSA-N	236.359	2.269	10	40	BECB	
[N-]=[N+]=N[C@H](C(=O)NC1CC1)c1ccc(F)cc1	100615734	MGRQVDRDRGXBRW-JTQLQIEISA-N	234.234	2.456	10	40	BECB	in-vitro
CC(C)CNCc1cc([N+](=O)[O-])ccc1O	1717583	YBUZICVHAUDKSL-UHFFFAOYSA-N	224.260	2.046	10	40	BECB	
Oc1ccc(-c2ccc(O)c(O)c2)cc1	33505772	CNIACUISPHFTGQ-UHFFFAOYSA-N	202.209	2.470	10	40	BECB	
CCOC(=O)c1cccc(NC(=O)CN=[N+]=[N-])c1	102917936	OTJCBEBNPRIZAL-UHFFFAOYSA-N	248.242	2.112	10	40	BECB	
COc1ccc(N2CCN[C@@H]3CCCC[C@@H]32)cc1	225712632	BIRWFTVTFZUZCC-CABCVRRESA-N	246.354	2.416	10	40	BECB	
COc1ccc(N2CCN[C@H]3CCC[C@@H]32)cc1	225716276	GYDMEXZRIHPMTN-KBPBESRZSA-N	232.327	2.026	10	40	BECB	
CCN(CC)c1ccc(CN2CC[C@@H](N)C2)cc1	96523476	WANKUXZSYXHQJQ-CQSZACIVSA-N	247.386	2.066	10	40	BECB	
CN(C)c1ccc([C@H](NN)c2ccccc2)cc1	161809087	DYNNVNGZYFSCAC-OAHLLOKOSA-N	241.338	2.305	10	40	BECB	
Nc1ccc(NC(=O)NCc2ccco2)cc1	35186161	ZYEOOUADZDVQBM-UHFFFAOYSA-N	231.255	2.184	10	40	BECB	in-vitro
CCN(CC)C(=O)Cn1ccc2cc(N)ccc21	36949986	ITMRIHPMHVNPDD-UHFFFAOYSA-N	245.326	2.092	10	40	BECB	in-vitro
O=c1cc(C(F)(F)F)c2cc(O)c(O)cc2o1	57583	BDMVLEVZUIZPRG-UHFFFAOYSA-N	246.140	2.223	10	40	BECB	
O=C1CSC(=S)N1CCc1ccccc1	1045111	VYNFNTKJZYOOPO-UHFFFAOYSA-N	237.349	2.089	10	40	BECB	
Oc1ccccc1CNCc1ccccc1O	1628259	ARMZYJYJGIRLRX-UHFFFAOYSA-N	229.279	2.388	10	40	BECB	biogenic,in-vitro
C[C@@H](CCc1ccccc1)NC(=O)CN=[N+]=[N-]	100034706	JOEXUPHQWDNDRL-JTQLQIEISA-N	232.287	2.434	10	40	BECB	
Cc1ccncc1NCc1ccc(O)c(O)c1	71413189	IGICCUKIJJZITD-UHFFFAOYSA-N	230.267	2.413	10	40	BECB	
CC(C)CNCc1ccc(N(C)C)cc1	5817290	BPMQYKSUQGMISR-UHFFFAOYSA-N	206.333	2.498	10	40	BECB	
CCSC(=S)NCc1c(C)nn(C)c1C	35325316	HVEXUNWEDCAEGY-UHFFFAOYSA-N	243.401	2.165	10	40	BECB	
CCN(CC)Cc1ccc(NC(C)=O)cc1O	36456990	USKVVSHKVGPAHH-UHFFFAOYSA-N	236.315	2.192	10	40	BECB	
CCCN1CCN(c2ccc(OC)cc2)CC1	39317689	BXDRXWBCUJCURL-UHFFFAOYSA-N	234.343	2.227	10	40	BECB	
Nc1ccc(OCc2noc(C3CC3)n2)cc1	49338051	HDERDDYHTLFLCM-UHFFFAOYSA-N	231.255	2.108	10	40	BECB	in-vitro
S=CC1=C2NCCCN2[C@@H]2CCCC[C@@H]12	5290143	PKKFXCVBJFFZJO-GXSJLCMTSA-N	222.357	2.065	10	40	BECB	biogenic
COc1ccc(N2CCCC2)c(C=O)c1	8702892	CHEZCIRTEHCXJR-UHFFFAOYSA-N	205.257	2.108	10	40	BECB	
Cn1ccc2c(-c3cncnc3)ccnc21	72161356	NZINZXYDAHJTFQ-UHFFFAOYSA-N	210.240	2.030	10	40	BECB	
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)O)N2	4498719	UZSOIZZSGQKUTA-GBIKHYSHSA-N	245.278	2.234	10	40	BECB	
Nc1ccc(NC(=O)CC(F)(F)F)cc1	21960537	VAQLIXWCOCIAST-UHFFFAOYSA-N	218.178	2.160	10	40	BECB	
O=C1NC(=S)/C(=C\c2cccnc2)S1	13073862	HXLZPTSNMQTDAN-QPJJXVBHSA-N	222.294	2.206	10	40	BECB	
Oc1ccc(F)cc1CNCc1cccnc1	83358635	WFGOYXURXFUREH-UHFFFAOYSA-N	232.258	2.216	10	40	BECB	
COc1ccc(-n2c(C)ccc2CN)cc1	223749054	ZFSXIULFDNFARI-UHFFFAOYSA-N	216.284	2.253	10	40	BECB	
O=C1CSC(=S)N1Cc1ccc(F)cc1	1664691	WOFKPTGCWXSHEO-UHFFFAOYSA-N	241.312	2.186	10	40	BECB	
C[C@H]1CCCCN1C(=O)Cc1ccc(N)cc1	20154931	KVGHOKITTHULMF-NSHDSACASA-N	232.327	2.212	10	40	BECB	
C/C(=C\c1ccc(N(C)C)cc1)C(=O)O	12410424	WXLUBRDUMYJXKW-CMDGGOBGSA-N	205.257	2.241	10	40	BECB	
CN(C)c1ccc(CNCC(F)(F)F)cc1	19479289	LSEWHMCQBXZTEA-UHFFFAOYSA-N	232.249	2.405	10	40	BECB	in-vitro
C[C@@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)cc1	12537892	DWBXUSXXASDCEB-ZWNOBZJWSA-N	232.327	2.025	10	40	BECB	
COC(=O)c1ccccc1Oc1ccc(N)cn1	685937183	CHLLIAGZWUWZPW-UHFFFAOYSA-N	244.250	2.243	10	40	BECB	
CN(C)c1ccc([C@@H](NN)c2ccccc2)cc1	161809213	DYNNVNGZYFSCAC-HNNXBMFYSA-N	241.338	2.305	10	40	BECB	
Nc1[nH]nc(O)c1/N=N/c1ccccc1F	4649642	SUKROSFHSYJIFW-OUKQBFOZSA-N	221.195	2.252	10	40	BECB	
Nc1ccc(N2CCCC[C@@H]2CCO)cc1	22164220	JUJVNTRWJQHLEI-GFCCVEGCSA-N	220.316	2.010	10	40	BECB	
C/C(=C/c1ccc(N(C)C)cc1)C(=O)O	5498561	WXLUBRDUMYJXKW-HJWRWDBZSA-N	205.257	2.241	10	40	BECB	
CC[C@@H](C(=O)O)N(CC)c1ccc(OC)cc1	224997872	GRFRFUCGRAEDAP-LBPRGKRZSA-N	237.299	2.385	10	40	BECB	
COC(=O)c1sc(C(F)F)cc1O	72209545	KKKGZVXRIRAAHN-UHFFFAOYSA-N	208.185	2.178	10	40	BECB	
CN(C)c1ccc([C@H]2CSCCN2)cc1	306145806	QWUMVXSZNYERIQ-GFCCVEGCSA-N	222.357	2.130	10	40	BECB	
CCNCc1cc2c3c(c1O)CCCN3CCC2	96517093	JNBBVGNVFDLDET-UHFFFAOYSA-N	246.354	2.201	10	40	BECB	
COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)O)N2	4498724	UZSOIZZSGQKUTA-GIPNMCIBSA-N	245.278	2.234	10	40	BECB	
COc1ccc(CNC(=O)C(C)(C)C)c(O)c1	82302940	HNYVYVCSODUMBI-UHFFFAOYSA-N	237.299	2.063	10	40	BECB	
[N-]=[N+]=NC[C@H]1CC(=O)N(CCc2ccccc2)C1	2298163914	KGASUKVCFKPYQV-GFCCVEGCSA-N	244.298	2.388	10	40	BECB	
CCN(CC)c1ccc(/N=N/c2nnn[nH]2)cc1	12559250	VWDQYYXKKLHIBC-OUKQBFOZSA-N	245.290	2.461	10	40	BECB	
O=C1c2ccccc2C(=O)[C@H]2C=CC=C[C@H]12	100407553	LGTHAGVUDNBWIT-UWVGGRQHSA-N	210.232	2.424	10	40	BECB	
CC(C)(C)c1cnc(SCC(N)=O)s1	96469821	IZDNPTISQWRNLC-UHFFFAOYSA-N	230.358	2.018	10	40	BECB	
COc1cc2cc(C(=O)O)oc2cc1OC	12153236	AWGCBUDAZSSMQT-UHFFFAOYSA-N	222.196	2.148	10	40	BECB	
O=C1NC(=S)S/C1=C\c1cccs1	1033062	XLYORYAUKZCBPS-XQRVVYSFSA-N	227.335	2.237	10	40	BECB	
CN(C)Cc1cc(Cl)cc(CN(C)C)c1O	1670755	YYMJQPRNZRJYFY-UHFFFAOYSA-N	242.750	2.169	10	40	BECB	
CN(C)c1ccc(CNC(=O)c2ccoc2)cc1	12538322	YRCGNRJGPUUXSQ-UHFFFAOYSA-N	244.294	2.276	10	40	BECB	
C[C@@H]1CCCN(CCOc2ccc(N)cc2)C1	8703252	ZCHHQXRDJOPTAX-GFCCVEGCSA-N	234.343	2.380	10	40	BECB	
[N-]=[N+]=N[C@H]1CCc2ccccc2NC1=O	100419697	PDFYKDYEFKYENU-VIFPVBQESA-N	202.217	2.250	10	40	BECB	in-vitro
Nc1[nH]ncc1-c1nc2ccccc2s1	8699896	WJYXQGODMGVTKA-UHFFFAOYSA-N	216.269	2.269	10	40	BECB	
COC(=O)[C@H](/N=N/c1ccc(C)cc1)C(C)=O	104325913	GMIZFEHEEQXFCL-CLMBFONXSA-N	234.255	2.209	10	40	BECB	
CC(C)n1ccc(CNCc2ccccc2O)n1	134902471	LLDWKBKJNXDSSY-UHFFFAOYSA-N	245.326	2.459	10	40	BECB	
Oc1ccccc1[C@@H]1CC(c2cccnc2)=NN1	32500967	GVHYUVUYNFYSNR-ZDUSSCGKSA-N	239.278	2.226	10	40	BECB	
Oc1ccc(CNc2cccnc2)cc1O	19884191	TVQNBNNNBUOFNZ-UHFFFAOYSA-N	216.240	2.105	10	40	BECB	
Nc1ccc(OCc2ccc(C(=O)O)o2)cc1	38055614	GMOGYQWSWHXFLU-UHFFFAOYSA-N	233.223	2.139	10	40	BECB	in-vitro
Cc1ccc2c(c1)C(=O)c1cc(N)ccc1C2=O	4360390	RIEDLQMTKFJVCJ-UHFFFAOYSA-N	237.258	2.353	10	40	BECB	
CCOc1ccc(N2CCN[C@H]3CCC[C@@H]32)cc1	225716829	FODQGIZRTPBDDL-GJZGRUSLSA-N	246.354	2.416	10	40	BECB	
CN(C)c1ccc(CNCC2CC2)cc1	19884598	HZQQWPSUZAMEES-UHFFFAOYSA-N	204.317	2.252	10	40	BECB	in-vitro
Cc1cc(O)c(O)cc1Br	39096439	UJOPSAXOAYKHTR-UHFFFAOYSA-N	203.035	2.169	10	40	BECB	
Nc1nc(Cl)c(/N=N/c2ccccc2)c(=O)[nH]1	17040165	KQEFVDTYQOKIKO-FOCLMDBBSA-N	249.661	2.421	10	40	BECB	
O=C(O)/C=C/c1ccc(N2CCCC2)cc1	20526912	JPWVQUNJAKZADY-VMPITWQZSA-N	217.268	2.385	10	40	BECB	
Nc1ccc(Oc2ccccc2C(=O)O)nc1	685937269	FMWCPOFAZDFFAL-UHFFFAOYSA-N	230.223	2.154	10	40	BECB	
Fc1cccc(/N=N/N2CCOCC2)c1	14628754	KQTXOAAJYZGRNB-OUKQBFOZSA-N	209.224	2.157	10	40	BECB	
CN(C)c1ccc([C@H](CN)N2CCCCC2)cc1	32497022	JRZFNDSCZVTJGQ-HNNXBMFYSA-N	247.386	2.238	10	40	BECB	
Oc1cc2c(cc1O)[C@H](c1ccccc1)NCC2	4724916	BLHNHEFDFAQSIF-HNNXBMFYSA-N	241.290	2.333	10	40	BECB	
COc1cccc2c1N[C@H](C(=O)O)[C@@H]1CC=C[C@@H]21	13116455	JIYQEGVUIRJANB-PLMOITTCSA-N	245.278	2.234	10	40	BECB	
C[C@]12CN([N+](=O)[O-])[C@]3(N=[N+]=[N-])C[C@H]1CC[C@@]23C	100867663	BNEFYAACHREMPQ-XFWSIPNHSA-N	237.263	2.327	10	40	BECB	
COc1cccc(CNCc2ccco2)c1O	819553	SJBBMLXSJOSKBD-UHFFFAOYSA-N	233.267	2.284	10	40	BECB	
Cc1ccc(O)c([C@@H](NN)c2ccccc2)c1	199533896	QTORQDBCGAQJET-AWEZNQCLSA-N	228.295	2.253	10	40	BECB	
CC[C@H](C(=O)O)N(CC)c1ccc(OC)cc1	224997907	GRFRFUCGRAEDAP-GFCCVEGCSA-N	237.299	2.385	10	40	BECB	
COc1ccc(N2CCN[C@H]3CCCC[C@@H]32)cc1	225712658	BIRWFTVTFZUZCC-GJZGRUSLSA-N	246.354	2.416	10	40	BECB	
Cc1ccc(C)n1-c1ccc(C(=O)O)c(O)c1	29121	WAYCNXGAKFXIKA-UHFFFAOYSA-N	231.251	2.498	10	40	BECB	in-vitro
CCOC(=O)[C@@H]1CCCCN1c1ccc(N)cc1	26896361	SYKSWMRKMBTSMG-ZDUSSCGKSA-N	248.326	2.191	10	40	BECB	
C[C@H]1C[C@@H]1NCc1ccc(N2CCOCC2)cc1	52272512	BNLDBZOMLUERKT-WFASDCNBSA-N	246.354	2.021	10	40	BECB	
COc1cccc(CNC(=O)C(C)(C)C)c1O	68489271	SNVZQIFXAJRTLQ-UHFFFAOYSA-N	237.299	2.063	10	40	BECB	
[N-]=[N+]=CC(=O)C1(c2ccccc2)CCCC1	4610580	JBSDMXPPECMBKM-UHFFFAOYSA-N	214.268	2.368	10	40	BECB	
NC(=O)/C=C/c1ccc(N2CCCCC2)cc1	216943003	JPJZZTLOTYFOFN-RMKNXTFCSA-N	230.311	2.175	10	40	BECB	
Oc1ccccc1CNCc1cccnc1	20140708	ZRTDIWGXVLIKSR-UHFFFAOYSA-N	214.268	2.077	10	40	BECB	
[N-]=[N+]=NC[C@@H]1CC(=O)N(CCc2ccccc2)C1	2298163915	KGASUKVCFKPYQV-LBPRGKRZSA-N	244.298	2.388	10	40	BECB	
CCCCCC(=O)C(=O)c1ccc(O)cc1O	1563302	XPGRGRKFZXQRJZ-UHFFFAOYSA-N	236.267	2.430	10	40	BECB	
C[C@H]1CCCCN1C(=O)COc1ccc(N)cc1	20155117	WZWUGEGNBGBXAA-NSHDSACASA-N	248.326	2.049	10	40	BECB	
CCOC(=O)[n+]1c(C)ccc2ccccc21	1685231	SXSMKJBPMKGMPI-UHFFFAOYSA-N	216.260	2.440	10	40	BECB	
[N-]=[N+]=NC[C@H]1CC(=O)N(Cc2ccccc2)C1	1889103525	AUICWDIDAUPAOP-LLVKDONJSA-N	230.271	2.345	10	40	BECB	
CC(=O)c1ccc(NC(=O)CN=[N+]=[N-])cc1	101624554	NHYAFSDZGZMYPX-UHFFFAOYSA-N	218.216	2.138	10	40	BECB	
CCOC(=O)c1c(C)sc(C)c1O	39284832	JCVZYFRFXOPWFU-UHFFFAOYSA-N	200.259	2.247	10	40	BECB	
CCc1n[nH]c(SCc2ccc(N)cc2)n1	20396307	LMMIWPOBDQQIEW-UHFFFAOYSA-N	234.328	2.242	10	40	BECB	
Cc1cc2nnn(CCN=[N+]=[N-])c2cc1C	82238011	LELLABXZNVOTIE-UHFFFAOYSA-N	216.248	2.358	10	40	BECB	
[N-]=[N+]=NC[C@H]1CC(=O)N(Cc2ccccc2F)C1	1889040176	HMHWTMDIGXBMMT-SECBINFHSA-N	248.261	2.485	10	40	BECB	
O=C1C(=C2CCCCC2)SC(=S)N1CO	1009538	JYDWXMOLGBXNLU-UHFFFAOYSA-N	243.353	2.015	10	40	BECB	
Nc1ccc(CC(=O)c2ccc(N)cc2)cc1	3845783	WYGUXCCGRTYISY-UHFFFAOYSA-N	226.279	2.276	10	40	BECB	biogenic
CC1CCN(CCOc2ccc(N)cc2)CC1	4938420	COHIJNCVLZYTDS-UHFFFAOYSA-N	234.343	2.380	10	40	BECB	
Oc1c(CN2CCOCC2)ccc2ccccc12	19229540	XJKMEOFFCYJCGT-UHFFFAOYSA-N	243.306	2.378	10	40	BECB	
COCCCNCc1ccc(N2CCCC2)cc1	8733400	CZMSQXADAFPXAD-UHFFFAOYSA-N	248.370	2.413	10	40	BECB	
CC(=O)N(Cc1ccc(N)cc1)C(C)C	35365269	DEEQXOVSHXCHDT-UHFFFAOYSA-N	206.289	2.026	10	40	BECB	in-vitro
O=C(O)c1ccc(/N=N/N2CCCC2)cc1	82268	KOFQQOBPZPKFMN-OUKQBFOZSA-N	219.244	2.479	10	40	BECB	
CN(C)Cc1cc(OC(F)(F)F)ccc1O	2540353	RMMZUQRYXJGXHJ-UHFFFAOYSA-N	235.205	2.352	10	40	BECB	
NC1=NC(=O)/C(=C/C=C/c2ccccc2)S1	5649868	WCCUQWPSOQGNOO-DODKFZKMSA-N	230.292	2.172	10	40	BECB	
Nc1ccc(OCc2ccncc2)cc1	12357653	GYLBVAPFPIKDNV-UHFFFAOYSA-N	200.241	2.243	10	40	BECB	in-vitro
Nc1ccc(CC(=O)Oc2ccccc2)cc1	221910008	MXEHPQZWQZVFNI-UHFFFAOYSA-N	227.263	2.417	10	40	BECB	
[N-]=[N+]=NC[C@@H]1Cc2cc(C=O)ccc2O1	45286456	URWFEZVAEYRSTR-VIFPVBQESA-N	203.201	2.113	10	40	BECB	
C[C@@H]1C[C@@H](C)CN(C(=O)Cc2ccc(N)cc2)C1	20154938	OTPYCCBWZNRZKC-VXGBXAGGSA-N	246.354	2.316	10	40	BECB	
Oc1ccc(F)cc1CNCc1ccccn1	83358639	WWZFWMFSYOLNBI-UHFFFAOYSA-N	232.258	2.216	10	40	BECB	
[N-]=[N+]=NC[C@@H]1CC(=O)N(Cc2ccccc2)C1	1889103526	AUICWDIDAUPAOP-NSHDSACASA-N	230.271	2.345	10	40	BECB	
C[C@H](NC1CCC(O)CC1)c1ccccc1O	19918662	IBENYMQKHMECRB-UNXYVOJBSA-N	235.327	2.346	10	40	BECB	
COc1ccc(N2CCCCC2)cc1N	22121988	RFTXPGFOKHADON-UHFFFAOYSA-N	206.289	2.268	10	40	BECB	
COc1cccc2c1N[C@H](C(=O)O)[C@H]1CC=C[C@H]21	2380400	JIYQEGVUIRJANB-DVYJOKAKSA-N	245.278	2.234	10	40	BECB	
Cc1cc(C)nc(Cc2ccc(N)cc2)n1	40542899	YRGCSQBPLZITIB-UHFFFAOYSA-N	213.284	2.266	10	40	BECB	
CC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)O1	5722773	UZJOKNWPCVCPLB-WQLSENKSSA-N	230.267	2.069	10	40	BECB	
CC(=O)c1ccc(O)c(CN2CCCC2)c1	20285091	IIJUMKYUGLNQBX-UHFFFAOYSA-N	219.284	2.191	10	40	BECB	in-vitro
COc1ccc2c(c1)C(=O)[C@@H]1C=CC=C[C@H]1C2=O	3851054	DDPBSPJTORKEOO-GHMZBOCLSA-N	240.258	2.433	10	40	BECB	biogenic
Nc1n[nH]c(O)c1/N=N\c1ccccc1	100426277	ORRWSNWFDNFTLA-QXMHVHEDSA-N	203.205	2.113	10	40	BECB	
[O-]/[N+](=N/c1cccnc1)c1cccnc1	100714118	HDLIALJXWCPPOK-BUHFOSPRSA-N	200.201	2.402	10	40	BECB	
O=C(Cc1ccccc1)c1cc(O)c(O)cc1O	1506246	BLDWUOJAGWTWTG-UHFFFAOYSA-N	244.246	2.229	10	40	BECB	
NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	250235890	DOLLUAUAOQKWNS-AAEUAGOBSA-N	202.301	2.134	10	40	BECB	
COc1cc2c3c(c1)[C@@H](O)CC[N+]3(C)CCC2	1623653	VRVPCLQZKMXFRQ-CFMCSPIPSA-N	234.319	2.016	10	40	BECB