smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1cccc(-c2ccc(C)n2-c2ccccc2)c1	228928253	OTWQOHAINMPQQZ-UHFFFAOYSA-N	247.341	4.761	10	40	BJCB	
Nc1ccc2ccccc2c1N=Nc1ccccc1	253618217	KLCDQSGLLRINHY-UHFFFAOYSA-N	247.301	4.837	10	40	BJCB	
Nc1ccc(/N=N/c2ccc3ccccc3c2)cc1	60138064	GPCZYGHXTJZIMK-VHEBQXMUSA-N	247.301	4.837	10	40	BJCB	
CCC(=O)c1ccc(/N=N\c2ccccc2)cc1	104376588	NTKINMXLTDANFP-MSUUIHNZSA-N	238.290	4.695	10	40	BJCB	
Cc1ccc(-c2ccccc2)n1Cc1ccccc1	90396233	AQVZLUYMYDIBPS-UHFFFAOYSA-N	247.341	4.512	10	40	BJCB	
CC(C)c1ccc2c(c1)[C@H]1Cc3ccccc3[C@@H]1N2	1009016	ZXUTUFBDUNXMLT-AEFFLSMTSA-N	249.357	4.617	10	40	BJCB	
S=C(c1ccccc1)c1cccc2ccccc12	1595934	JSLXFEJROZYETE-UHFFFAOYSA-N	248.350	4.606	10	40	BJCB	
Cc1ccc(/N=N/c2cc(Cl)ccc2O)cc1	5543329	SWHIKJIMGBQIDU-FOCLMDBBSA-N	246.697	4.769	10	40	BJCB	
c1ccc(/N=N/c2ccccc2C2CC2)cc1	5600919	FGGHDLHLVNZPLT-WUKNDPDISA-N	222.291	4.979	10	40	BJCB	
CC(C)c1ccc(O)c(/N=N/c2ccccc2)c1	100094441	MWCYGBISULBPFP-WUKNDPDISA-N	240.306	4.931	10	40	BJCB	
S=C(C1CCCCC1)C1CCCCC1	143498933	SOCHRLJGQCQSCJ-UHFFFAOYSA-N	210.386	4.517	10	40	BJCB	
Clc1ccc(C/N=N\c2ccccc2)cc1	17429686	RQDVISJTPVKGLE-NXVVXOECSA-N	230.698	4.624	10	40	BJCB	
C1=C[C@H]2c3ccccc3N[C@@H](c3ccccc3)[C@H]2C1	6276964	KQSDERCARYGABK-ZVZYQTTQSA-N	247.341	4.513	10	40	BJCB	
CC[C@H](C)c1ccc(-n2c(C)ccc2C)cc1	6319496	RMCWTXPDRDSUPF-LBPRGKRZSA-N	227.351	4.608	10	40	BJCB	
Cc1ccc(C)n1-c1ccc(-c2ccccc2)cc1	3273129	ZECOQPOXLUIXFI-UHFFFAOYSA-N	247.341	4.761	10	40	BJCB	
Clc1ccc(/N=N\c2ccccc2)cc1	100854642	NJFDMENHTAYHMA-PFONDFGASA-N	216.671	4.755	10	40	BJCB	
Cc1ccc(N=Nc2ccc(C)cc2)cc1	253618256	WNVWWDKUMKBZQV-UHFFFAOYSA-N	210.280	4.719	10	40	BJCB	
C1=C[C@H]2c3ccccc3N[C@@H](c3ccccc3)[C@@H]2C1	96006231	KQSDERCARYGABK-LESCRADOSA-N	247.341	4.513	10	40	BJCB	
C1=C[C@@H]2c3ccccc3N[C@@H](c3ccccc3)[C@H]2C1	6816476	KQSDERCARYGABK-HFTRVMKXSA-N	247.341	4.513	10	40	BJCB	
C1=C[C@@H]2c3ccccc3N[C@@H](c3ccccc3)[C@@H]2C1	6816473	KQSDERCARYGABK-KYJSFNMBSA-N	247.341	4.513	10	40	BJCB	
Clc1ccc(/N=N/c2ccccc2)cc1	18120719	NJFDMENHTAYHMA-CCEZHUSRSA-N	216.671	4.755	10	40	BJCB	
CC[C@@H](C)c1ccc(-n2c(C)ccc2C)cc1	6319439	RMCWTXPDRDSUPF-GFCCVEGCSA-N	227.351	4.608	10	40	BJCB	
Nc1ccc2ccccc2c1/N=N/c1ccccc1	100037089	KLCDQSGLLRINHY-VHEBQXMUSA-N	247.301	4.837	10	40	BJCB	in-vitro
c1ccc(/N=N/c2c[nH]c3ccccc23)cc1	5848672	CHWPRPBKMKFUPJ-WUKNDPDISA-N	221.263	4.583	10	40	BJCB	
Cc1ccc(-c2ccc(C)n2-c2ccccc2)cc1	90378099	IIFSCGCHMLBBKJ-UHFFFAOYSA-N	247.341	4.761	10	40	BJCB	
CCCCNc1ccc(Nc2ccccc2)cc1	1608815	PIPXINMICYUFAD-UHFFFAOYSA-N	240.350	4.642	10	40	BJCB	
CC(C)c1ccc2c(c1)[C@@H]1Cc3ccccc3[C@@H]1N2	1009014	ZXUTUFBDUNXMLT-WMZOPIPTSA-N	249.357	4.617	10	40	BJCB	
CC(=S)c1cc2ccccc2c2ccccc12	228951442	HGNOGFWAQYVUTH-UHFFFAOYSA-N	236.339	4.731	10	40	BJCB	
Oc1ccc(N=Nc2ccccc2)c2ccccc12	245238934	CQYDCXNJLAOBIF-UHFFFAOYSA-N	248.285	4.961	10	40	BJCB	
CCOc1ccc(/N=N/c2ccccc2)cc1	18069226	WZSVOUYPNAGMPC-FOCLMDBBSA-N	226.279	4.501	10	40	BJCB	
Oc1ccc2ccccc2c1/N=N\c1ccccc1	100048806	MRQIXHXHHPWVIL-ZCXUNETKSA-N	248.285	4.961	10	40	BJCB	
Cc1ccc(O)c(/N=N\c2ccc(Cl)cc2)c1	103893480	QHVMKVYYTMSEJP-NXVVXOECSA-N	246.697	4.769	10	40	BJCB	
Oc1ccc(/N=N\c2ccccc2)c2ccccc12	18207409	CQYDCXNJLAOBIF-ZCXUNETKSA-N	248.285	4.961	10	40	BJCB	
Cc1ccc(/N=N/c2cc(C)ccc2O)c(C)c1	100053256	MIDDVGLBLRDZOA-WUKNDPDISA-N	240.306	4.733	10	40	BJCB	
CNc1ccc(Oc2cccc3ccccc23)cc1	77427838	HXNIMXXILZKIFI-UHFFFAOYSA-N	249.313	4.674	10	40	BJCB	
Cc1ccccc1-c1ccc(C)n1-c1ccccc1	228926408	ZYQVWAYXXPUSCQ-UHFFFAOYSA-N	247.341	4.761	10	40	BJCB	
Cc1cc(O)c(C)c(C)c1/N=N/c1ccccc1	104151723	PSDPHGBRJIBERP-WUKNDPDISA-N	240.306	4.733	10	40	BJCB	
Nc1ccc(/N=N\c2ccccc2)c2ccccc12	8581129	IICHURGZQPGTRD-HNENSFHCSA-N	247.301	4.837	10	40	BJCB	
Nc1ccc2ccccc2c1/N=N\c1ccccc1	17970534	KLCDQSGLLRINHY-HNENSFHCSA-N	247.301	4.837	10	40	BJCB	
Clc1ccc(C/N=N/c2ccccc2)cc1	100358227	RQDVISJTPVKGLE-FOCLMDBBSA-N	230.698	4.624	10	40	BJCB	
Cc1ccc(-n2c(C)ccc2C)c2ccccc12	408738518	LGVXGNDTHPVDRE-UHFFFAOYSA-N	235.330	4.556	10	40	BJCB	
CCc1ccc(/N=N\c2ccccc2)cc1	100278249	PMQVUAPJLIZXCL-NXVVXOECSA-N	210.280	4.664	10	40	BJCB	
Clc1cccc(/N=N/c2ccccc2)c1	18166279	RVQOEFBQFQPVHP-CCEZHUSRSA-N	216.671	4.755	10	40	BJCB	
C1=C[C@@H]2c3ccccc3N[C@H](c3ccccc3)[C@H]2C1	1461981	KQSDERCARYGABK-UWWQBHOKSA-N	247.341	4.513	10	40	BJCB	
CC(=S)c1ccc2c(ccc3ccccc32)c1	228948169	LHGOWMYXPJFFNV-UHFFFAOYSA-N	236.339	4.731	10	40	BJCB	
CC(=S)c1c2ccccc2cc2ccccc12	228960106	VUFAHTKAKZDAEL-UHFFFAOYSA-N	236.339	4.731	10	40	BJCB	
CC(C)c1ccc2c(c1)[C@H]1Cc3ccccc3[C@H]1N2	1009015	ZXUTUFBDUNXMLT-SJLPKXTDSA-N	249.357	4.617	10	40	BJCB	
CC[C@@H](C)c1ccc(Oc2ccc(N)cc2)cc1	14630141	FVOCJIITSMGLHY-GFCCVEGCSA-N	241.334	4.575	10	40	BJCB	
CC[C@H](C)c1ccc(Oc2ccc(N)cc2)cc1	14630143	FVOCJIITSMGLHY-LBPRGKRZSA-N	241.334	4.575	10	40	BJCB	
CCc1ccc(O)c(/N=N/c2ccc(C)cc2)c1	4550666	WVBQWBUUZZLCHY-WUKNDPDISA-N	240.306	4.678	10	40	BJCB	
C1=C[C@@H]2c3ccccc3N[C@H](c3ccccc3)[C@@H]2C1	6816440	KQSDERCARYGABK-QGPMSJSTSA-N	247.341	4.513	10	40	BJCB	
Cc1ccccc1-n1c(C)ccc1-c1ccccc1	8416322	ADKGZVZIIFZMPK-UHFFFAOYSA-N	247.341	4.761	10	40	BJCB	
CCC(=O)c1ccc(/N=N/c2ccccc2)cc1	17886441	NTKINMXLTDANFP-WUKNDPDISA-N	238.290	4.695	10	40	BJCB	
Cc1ccc(/N=N/c2ccc(C=O)cc2)cc1C	4591682	GZVVGBIETQSIND-WUKNDPDISA-N	238.290	4.531	10	40	BJCB	
Cc1cccc(/N=N\c2cccc(C)c2)c1	100019738	HPSZIXYLILUGIP-NXVVXOECSA-N	210.280	4.719	10	40	BJCB	
CCOc1ccc(/N=N\c2ccccc2)cc1	100340463	WZSVOUYPNAGMPC-NXVVXOECSA-N	226.279	4.501	10	40	BJCB	
Cc1ccccc1/N=N\c1ccccc1C	100104404	LNXCQLYWNWAIRB-NXVVXOECSA-N	210.280	4.719	10	40	BJCB	
Cc1ccc(-c2ccccc2)n1C1CCCCC1	408742384	OQONNDFHLWHRTD-UHFFFAOYSA-N	239.362	4.969	10	40	BJCB	
Cc1ccc(/N=N/c2c[nH]c3ccccc23)cc1	12345945	MMENFDXGEOAXRJ-ISLYRVAYSA-N	235.290	4.892	10	40	BJCB	
CC(C)c1ccc2c(c1)[C@@H]1Cc3ccccc3[C@H]1N2	1009013	ZXUTUFBDUNXMLT-FUHWJXTLSA-N	249.357	4.617	10	40	BJCB	
Cc1cc(O)c(C)c(C)c1/N=N\c1ccccc1	17003572	PSDPHGBRJIBERP-MSUUIHNZSA-N	240.306	4.733	10	40	BJCB	
CC(=S)c1ccc2ccc3ccccc3c2c1	228948116	IFZXKQGWRIAPOC-UHFFFAOYSA-N	236.339	4.731	10	40	BJCB	
CCc1ccc(/N=N/c2ccccc2)cc1	18037134	PMQVUAPJLIZXCL-FOCLMDBBSA-N	210.280	4.664	10	40	BJCB	
Cc1cccc(-n2c(C)ccc2-c2ccccc2)c1	8415027	ZWLYSMXNUOMINX-UHFFFAOYSA-N	247.341	4.761	10	40	BJCB	
Cc1ccc(/N=N\c2ccc(C)cc2)cc1	100252268	WNVWWDKUMKBZQV-NXVVXOECSA-N	210.280	4.719	10	40	BJCB	
Clc1cccc(/N=N\c2ccccc2)c1	100364471	RVQOEFBQFQPVHP-PFONDFGASA-N	216.671	4.755	10	40	BJCB	
CC(=O)c1ccc(/N=N/c2ccc(C)cc2)cc1	17720884	ZLQQSJMVUAEPBI-WUKNDPDISA-N	238.290	4.613	10	40	BJCB	
Cc1cccc(N=Nc2cccc(C)c2)c1	255003958	HPSZIXYLILUGIP-UHFFFAOYSA-N	210.280	4.719	10	40	BJCB	
Cc1ccc(-n2c(C)ccc2-c2ccccc2)cc1	3904329	UZSOXETXRULSKC-UHFFFAOYSA-N	247.341	4.761	10	40	BJCB	
[C-]#[N+]c1ccc(/N=N/c2ccccc2)cc1	95705761	NCIOYHPFZVZTGJ-FOCLMDBBSA-N	207.236	4.653	10	40	BJCB	
Cc1cc(/N=N\c2ccccc2)nc2ccccc12	4062841	UGNRNWRVHNHDHX-HNENSFHCSA-N	247.301	4.959	10	40	BJCB