smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCN(CC)c1ccc(/N=N/c2cc(-c3ccccc3)[nH]n2)c(C)c1	38646036	XNKQOXQNQKLHLN-XTQSDGFTSA-N	333.439	5.647	10	30	EKCC	
COc1cc([N+]#N)c(/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1C	38643123	JSWCZLPSXXKPEM-VHEBQXMUSA-N	332.727	5.465	10	30	EKCC	
Cc1cc(/N=N/c2ccc(Cl)cc2)cc(CN2CCCCC2)c1O	4301016	HNQYXXSULQJSJI-QURGRASLSA-N	343.858	5.755	10	30	EKCC	
Oc1cccc(CCCCCCCCCCc2ccccc2)c1O	14651553	MJTAFEYJZHBYII-UHFFFAOYSA-N	326.480	6.004	10	30	EKCC	biogenic
COc1ccc(/N=N/c2cc(C)c(O)c(CN3CCCCC3)c2)cc1	4301019	ZKVYNTLHODDHIF-QURGRASLSA-N	339.439	5.111	10	30	EKCC	
[O-]/[N+](=N\c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1	5784547	BCOVXBPXQLIGEV-ZCXUNETKSA-N	336.005	6.226	10	30	EKCC	
CC1=C[C@H](/N=N/c2c(C)[nH]c3ccccc23)N(c2ccccc2)N1C	221252769	CDVWOGJEGKDGET-VCGVYRDQSA-N	331.423	5.157	10	30	EKCC	
Cc1cc(O)ccc1/N=N/c1ccc(/N=N/c2ccc(O)cc2C)cc1	6070046	ZSSHNGKTCZEMRU-MBALSZOMSA-N	346.390	6.545	10	30	EKCC	
CC(C)(C)C1=NN(c2ccccc2)C(=O)C1=Cc1c[nH]c2ccccc12	2265279734	GCNHAQAGDDCUNT-UHFFFAOYSA-N	343.430	5.000	10	30	EKCC	
CCCCOc1ccc(/N=[N+](\[O-])c2ccc(OCCCC)cc2)cc1	5514322	DWRXFZDFCLDVQG-DQRAZIAOSA-N	342.439	5.970	10	30	EKCC	
Oc1ccc2ccccc2c1/N=N/c1ccccc1OC(F)(F)F	4390435	BZFQQDONCLJCBO-QURGRASLSA-N	332.281	5.859	10	30	EKCC	
CCN(CC)c1ccc2c(c1)O[C@]1(C=C2)Oc2ccccc2C=C1C	5139483	WTUILHKBEDHSAX-QFIPXVFZSA-N	333.431	5.131	10	30	EKCC	
CC(=O)[C@@H](c1ccc(Cl)cc1)C(C)(C)N=Nc1ccc(Cl)cc1	606511611	TWWNKBGXHUZEEZ-KRWDZBQOSA-N	349.261	6.229	10	30	EKCC	
Cc1ccc(C)n1-c1ccc(-n2nc(C(C)(C)C)cc2C(C)(C)C)cc1	112244	APPWCYNGLIEMOC-UHFFFAOYSA-N	349.522	5.875	10	30	EKCC	
c1ccc(N=Nc2cnc(-c3ccccc3)nc2-c2ccco2)cc1	254289936	GMWMPDMGQSHDIK-UHFFFAOYSA-N	326.359	5.819	10	30	EKCC	
CCN1CCCc2cc(/N=N/c3ccc(C(F)(F)F)cc3)ccc21	4344362	KGMFWDUVVPQHBX-GHVJWSGMSA-N	333.357	5.893	10	30	EKCC	
Cc1ccc2c(c1)N[C@H](c1cc(Cl)cc(Cl)c1O)c1cccn1-2	138120	VWXDPIGSVFCJEV-QGZVFWFLSA-N	345.229	5.313	10	30	EKCC	
Cc1cc(/N=N/c2ccc(/N=N/c3ccc(O)cc3C)cc2)ccc1O	38612122	JCQDQWMRANMFIK-MBALSZOMSA-N	346.390	6.545	10	30	EKCC	
CCCCc1ccc(/N=N/c2c(O)c(C(=O)O)cc3ccccc23)cc1	111871471	BTXDXUZDKVTFBC-GHVJWSGMSA-N	348.402	6.002	10	30	EKCC	
Cc1c(C(=O)CCSc2ccccc2)sc2ccc(Cl)cc12	2148321	SLHFQZACFLAUDV-UHFFFAOYSA-N	346.904	6.228	10	30	EKCC	
Cc1cccc(/N=N/c2ccc(/N=N/c3cc(C)ccc3O)cc2C)c1	5782233	ZWGIWBPSFVJJAG-BQASJOSNSA-N	344.418	7.148	10	30	EKCC	
Nc1ncc(N=Nc2cccc(C(F)(F)F)c2)c(-c2ccccc2)n1	254683561	WFDANDRDWSZUTF-UHFFFAOYSA-N	343.312	5.160	10	30	EKCC	
CCCOc1cc(N=Nc2ccc(N(CC)CC)cc2)ccc1N	256560403	LFSOVPPPUIKUBZ-UHFFFAOYSA-N	326.444	5.319	10	30	EKCC	
Cc1[nH]c2ccccc2c1/N=N/C1=C[C@H](C)N(C)N1c1ccccc1	6068962	XJUJIYDKQZUKFL-FAFWDCIRSA-N	331.423	5.157	10	30	EKCC	
CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccccc2F)cc1	34140504	UARJXAJBIOESQF-UHFFFAOYSA-N	348.465	5.138	10	30	EKCC	
O=[N+]([O-])c1cccc(/N=N/c2ccc(/N=N/c3ccc(O)cc3)cc2)c1	6092538	HFFLNPOQMNVCOC-DKHHWMATSA-N	347.334	6.131	10	30	EKCC	
Cc1cc(/N=N/c2ccc(Cl)cc2)cc(CN2CCCC2)c1O	4301018	JFQASHVZFSYYCB-QZQOTICOSA-N	329.831	5.365	10	30	EKCC	
CCCN1CCCc2cc(/N=N/c3ccc(C(F)(F)F)cc3)ccc21	4344363	RYGNCFZVNJLOPN-WCWDXBQESA-N	347.384	6.283	10	30	EKCC	
Cc1ccc(NC(=O)c2cc(C(C)(C)C)n(-c3ccccc3)c2C)cc1	113732	LXLZHUILFLWAPX-UHFFFAOYSA-N	346.474	5.644	10	30	EKCC	
Cc1ccccc1/N=N/c1ccc(O)c(/N=N/c2ccccc2C)c1O	6071891	IRUFHVUXHIIHIY-MBALSZOMSA-N	346.390	6.545	10	30	EKCC	
Cc1cc(C(=O)C(F)(F)F)c(C)n1-c1cc(Cl)cc(Cl)c1	3119731	ZEGWEGMIOHADCZ-UHFFFAOYSA-N	336.140	5.146	10	30	EKCC	
Cc1cc(/N=N/c2ccc(Cl)cc2[N+](=O)[O-])c(O)c(C(C)(C)C)c1	5765096	VCXHQNDCECCAOQ-FMQUCBEESA-N	347.802	5.975	10	30	EKCC	
Cc1c(C(=O)N2CCCCC2)cc(-c2ccccc2)n1-c1ccccc1	113801	QNYLKRQOMHSZHX-UHFFFAOYSA-N	344.458	5.079	10	30	EKCC	
CCCCN1CCCc2cc(/N=N/c3ccc([N+](=O)[O-])cc3)ccc21	4344358	FQROZTKGEFRKNC-QZQOTICOSA-N	338.411	5.563	10	30	EKCC	
Oc1ccccc1/N=N\c1c(Nc2ccccc2)ccc2ccccc12	4347813	SRKYLUZFUFKBRF-IZHYLOQSSA-N	339.398	6.704	10	30	EKCC	
COc1ccc(/N=N\c2cc(C)c3cc(C(C)C)ccc(C)c2-3)cc1	4390342	QJEPIYIQAKYOOK-VHXPQNKSSA-N	332.447	6.956	10	30	EKCC	
CC1=C(/C=C/C(C)=C\C=C\C(C)=C/CO)C(C)(C)CC[C@@H]1N=[N+]=[N-]	33954707	JASRSAFKWLZHEX-QGUUVTABSA-N	327.472	5.799	10	30	EKCC	
CCN1/C(=C/C=C/c2sc3ccccc3[n+]2C)C=Cc2ccccc21	238791502	YCDYFFJKANDMQR-UHFFFAOYSA-N	345.491	5.176	10	30	EKCC	
c1ccc(N=Nc2cnc(-c3ccccc3)nc2-c2ccccc2)cc1	254593430	MZEGQEZGMZFHAK-UHFFFAOYSA-N	336.398	6.226	10	30	EKCC	
Cc1ccc(O)c(/N=N/c2ccc(NC(=O)c3ccccc3)cc2)c1	6070559	HDKQOAPPVFUKFN-GHVJWSGMSA-N	331.375	5.368	10	30	EKCC	
CC(=O)Nc1ccc(/N=N/c2cc(-c3ccccc3)ccc2O)cc1	100051421	HMDMKWUYPKVKNM-GHVJWSGMSA-N	331.375	5.433	10	30	EKCC	
CC1=C[C@@H](/N=N/c2c(C)[nH]c3ccccc23)N(c2ccccc2)N1C	145611118	CDVWOGJEGKDGET-CWJYSFMFSA-N	331.423	5.157	10	30	EKCC	
CN1CCCc2cc(/N=N/c3ccc(Br)cc3)ccc21	4344378	WOZCWJRWKGEFHE-VHEBQXMUSA-N	330.229	5.247	10	30	EKCC	
Cc1nn(-c2cccc(Cl)c2)c(O)c1/N=N\c1cccc(Cl)c1	13469079	WERDTAIETNRFAA-VXPUYCOJSA-N	347.205	5.609	10	30	EKCC	
CN(C)c1ccc(/C=C/C2=Nc3c(ccc4ccccc34)C2(C)C)cc1	4336716	WHDGXNFAEPCCQI-LFIBNONCSA-N	340.470	5.983	10	30	EKCC	
CN(C)c1ccc(/C(=C\Cc2ccccc2)CCc2ccccc2)cc1	90501846	CVOMFEVOSHTJTA-HAHDFKILSA-N	341.498	6.012	10	30	EKCC	
Cc1ccc2c(c1)N[C@@H](c1cc(Cl)cc(Cl)c1O)c1cccn1-2	138118	VWXDPIGSVFCJEV-KRWDZBQOSA-N	345.229	5.313	10	30	EKCC	
Cc1c(/N=N/C2=C[C@@H](C)N(C)N2c2ccccc2)c2ccccc2n1C	221548860	IOHJLLZNXJWDPY-MTLKIYMJSA-N	345.450	5.167	10	30	EKCC	
Cc1n[nH]c(C)c1/N=N/c1cc(C(F)(F)F)cc(C(F)(F)F)c1	4322499	KWFIBYKUKRVJJN-GHVJWSGMSA-N	336.239	5.480	10	30	EKCC	
CCN(CC)c1ccc2c(c1)O[C@@]1(C=C2)Oc2ccccc2C=C1C	5139487	WTUILHKBEDHSAX-JOCHJYFZSA-N	333.431	5.131	10	30	EKCC	
Cc1c(C(=O)Nc2ccccc2)cc(C(C)(C)C)n1-c1ccccc1	113726	JUVPRAFZHWCWDR-UHFFFAOYSA-N	332.447	5.336	10	30	EKCC	
Cc1ncc(N=Nc2ccc(F)cc2)c(-c2ccc(Cl)cc2)n1	253989075	PQYSENIJURXATI-UHFFFAOYSA-N	326.762	5.660	10	30	EKCC	
Cc1nn(-c2ccccc2)c(C)c1/N=N/c1cc(Cl)cc(Cl)c1	4299970	JPRCJLLACYKUFT-QZQOTICOSA-N	345.233	6.211	10	30	EKCC	
Cc1c(/N=N/C2=C[C@H](C)N(C)N2c2ccccc2)c2ccccc2n1C	221548813	IOHJLLZNXJWDPY-RTDLDRDPSA-N	345.450	5.167	10	30	EKCC	
CC(=O)[C@H](c1ccc(Cl)cc1)C(C)(C)N=Nc1ccc(Cl)cc1	606511612	TWWNKBGXHUZEEZ-QGZVFWFLSA-N	349.261	6.229	10	30	EKCC	
Cc1[nH]c2ccccc2c1/N=N/C1=C[C@@H](C)N(C)N1c1ccccc1	6068963	XJUJIYDKQZUKFL-DGIAWOHRSA-N	331.423	5.157	10	30	EKCC	
CN(C)c1ccc(/C=C/C2=[N+](C)c3ccc(Cl)cc3C2(C)C)cc1	34574400	PJCVURGYZYNEEF-UHFFFAOYSA-N	339.890	5.125	10	30	EKCC	
Oc1ccc(/N=N/c2ccc(Cl)cc2)cc1CN1CCCCC1	4301013	ICHZAZLCZSZIFU-QZQOTICOSA-N	329.831	5.447	10	30	EKCC	
O=Cc1cc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)ccc1O	38643299	FZGQMLKOUBTYCX-RLJRJAJVSA-N	330.347	6.036	10	30	EKCC	
CC1=C(/C=C/C(C)=C\C=C\C(C)=C/CO)C(C)(C)CC[C@H]1N=[N+]=[N-]	33954708	JASRSAFKWLZHEX-NTRRMPBESA-N	327.472	5.799	10	30	EKCC	
Cc1ccccc1NC(=O)c1cc(C(C)(C)C)n(-c2ccccc2)c1C	113734	VZDSFTVXXHBGAU-UHFFFAOYSA-N	346.474	5.644	10	30	EKCC