smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCc1c2c(nc3c1c(C)nn3-c1ccccc1)-c1ccccc1C2=O	44138270	OTBMHQMTSAJJRG-UHFFFAOYSA-N	339.398	4.503	10	30	EJCC	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1cc(Cl)ccc1Cl	105612278	SYIDJAUAPDQFRN-FZFLATATSA-N	347.205	4.868	10	30	EJCC	
COc1ccc(/N=N/c2ccc(O)c(CN3CCCCC3)c2)cc1	4301014	KRNFYVDKTJAYJS-QZQOTICOSA-N	325.412	4.802	10	30	EJCC	
CCC1(C[C@@H]2O[C@H]2c2cccc(Cl)c2)C(=O)c2ccccc2C1=O	299754781	QFKBKIHGOCXEJJ-IRXDYDNUSA-N	340.806	4.646	10	30	EJCC	
CN(C)c1ccc([C@H]2N(Cc3ccccc3)CC[C@@H]3CCCCN32)cc1	19331823	NEVIELUTPGBCJW-GOTSBHOMSA-N	349.522	4.512	10	30	EJCC	
CCC1(C[C@H]2O[C@H]2c2cccc(Cl)c2)C(=O)c2ccccc2C1=O	299754782	QFKBKIHGOCXEJJ-SJORKVTESA-N	340.806	4.646	10	30	EJCC	
COc1ccc(/N=N/c2cc(C)c(O)c(CN3CCCC3)c2)cc1	4301020	DZZYOJHRUHWCJX-QZQOTICOSA-N	325.412	4.720	10	30	EJCC	
N#[N+]c1ccc(/N=N/c2ccccc2)c2ccc(S(=O)(=O)O)cc12	111884209	FKVOUMZTLHPWBA-FMQUCBEESA-O	339.356	4.986	10	30	EJCC	
Cc1ccc(C)n1-c1ccc([C@@]2(O)CCSc3ccccc32)cc1	119741	ZLMUQWSWVXKLMF-NRFANRHFSA-N	335.472	4.826	10	30	EJCC	
Cc1cc(/N=N/c2ccc(Cl)cc2)cc(CN2CCOCC2)c1O	13119254	NUQHIMKPLURKFY-QZQOTICOSA-N	345.830	4.602	10	30	EJCC	
Cc1ccc(C)n1-c1ccc([C@]2(O)CCSc3ccccc32)cc1	119743	ZLMUQWSWVXKLMF-OAQYLSRUSA-N	335.472	4.826	10	30	EJCC	
CN1/C(=C/C=C/c2ccc3ccccc3[n+]2C)C=Cc2ccccc21	2145702	HHAICMDCZBDVDL-UHFFFAOYSA-N	325.435	4.725	10	30	EJCC	
Cc1ccc(C)n1-c1cccc(-c2cccc(-n3c(C)ccc3C)n2)n1	1081271434	NWDZYEFCKNTVLB-UHFFFAOYSA-N	342.446	4.959	10	30	EJCC	
O=C(O)Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	26941796	RZSCSDASRPFQEW-UHFFFAOYSA-N	328.371	4.759	10	30	EJCC	
COc1ccc2c(c1)CCC/[N+]2=C\C=C1\N(C)c2ccccc2C1(C)C	5140270	FVMIOCLPPPHKFX-UHFFFAOYSA-N	347.482	4.668	10	30	EJCC	
N#[N+]c1ccc(/N=N/c2cccc(S(=O)(=O)O)c2)c2ccccc12	6117710	GBVQQGSWJTYYKH-FMQUCBEESA-O	339.356	4.986	10	30	EJCC	
CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1cc(Cl)ccc1Cl	105612280	SYIDJAUAPDQFRN-CVTQAYBASA-N	347.205	4.868	10	30	EJCC	
CCC1(C[C@H]2O[C@@H]2c2cccc(Cl)c2)C(=O)c2ccccc2C1=O	299754780	QFKBKIHGOCXEJJ-IAGOWNOFSA-N	340.806	4.646	10	30	EJCC	
CN(C)c1ccc([C@@H]2N(Cc3ccccc3)CC[C@@H]3CCCCN32)cc1	19324632	NEVIELUTPGBCJW-XZOQPEGZSA-N	349.522	4.512	10	30	EJCC	
Cc1ccc(C=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1	2265278816	TZVSAMKZQPJQBY-UHFFFAOYSA-N	338.410	4.830	10	30	EJCC	
Cc1ccc(/N=N/c2c(O)ccc3ccccc23)c(S(=O)(=O)O)c1	38171383	XAWKEKKJKHHMHE-VHEBQXMUSA-N	342.376	4.516	10	30	EJCC	
COc1ccc(Nc2cc(C(F)(F)F)ccc2Cl)c(C(=O)O)c1	99601	FYBDCWMCUHIQSM-UHFFFAOYSA-N	345.704	4.809	10	30	EJCC	in-vitro
CCC1(C[C@@H]2O[C@@H]2c2cccc(Cl)c2)C(=O)c2ccccc2C1=O	299754779	QFKBKIHGOCXEJJ-DLBZAZTESA-N	340.806	4.646	10	30	EJCC	
CN1/C(=C\C=C\c2ccc3ccccc3[n+]2C)Sc2ccccc21	34064483	DMBIRUXDJZHCBT-UHFFFAOYSA-N	331.464	4.761	10	30	EJCC	
CC1=NN(c2ccccc2)C(=O)C1=CNc1cc(Cl)cc(Cl)c1	2265276458	AQWWJKBVOMLHII-UHFFFAOYSA-N	346.217	4.712	10	30	EJCC	
CN(C)c1ccc(C=C2C(=O)N(c3ccccc3)N=C2C(C)(C)C)cc1	2265279775	QOLADTZETYAJBG-UHFFFAOYSA-N	347.462	4.585	10	30	EJCC	
Cc1cc(C)n(Cc2ccccc2)c1C=C1C(=O)Nc2ccccc21	2265279842	DYXKJCQHMMNJAV-UHFFFAOYSA-N	328.415	4.646	10	30	EJCC	
O=C1C(=Cc2ccc(F)cc2)C(c2ccccc2)=NN1c1ccccc1	2265278827	ZAWHZHUTFLGCIL-UHFFFAOYSA-N	342.373	4.660	10	30	EJCC	
Cc1ccc(C)n1-c1ccc(-c2nnc(S)n2-c2ccccc2)cc1	83905	KXJXGPIQUAQLKB-UHFFFAOYSA-N	346.459	4.631	10	30	EJCC	
S=C(NCc1cccnc1)SCc1cc(Cl)sc1Cl	142753	DGYDYUNBWSVWEX-UHFFFAOYSA-N	349.333	4.758	10	30	EJCC	
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(N)cc1Cl	21987263	HLRQMXNTGISGDT-UHFFFAOYSA-N	342.823	4.599	10	30	EJCC	
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(Cl)cc1Cl	2265276546	XAGWBIQIOPTHSE-UHFFFAOYSA-N	346.217	4.712	10	30	EJCC	
Cc1c(C(=O)N2CCCC2)cc(-c2ccccc2)n1-c1ccccc1	113766	XDWAPPFRWKWRMV-UHFFFAOYSA-N	330.431	4.689	10	30	EJCC