smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1ccc(/N=N/c2cc(C)c(N)cc2C)c(C)c1	5419742	HGBRQTVTZZIIAW-VHEBQXMUSA-N	253.349	4.918	10	30	CJCC	
Cc1ccc(/N=N/c2c(-c3ccccc3)nn(C)c2O)cc1	4323473	QFHOUWBUYJDQIW-VHEBQXMUSA-N	292.342	4.517	10	30	CJCC	
CCc1cccc(N=Nc2ccc(N(C)C)cc2)c1	256764657	QTNNZELQKWUFTO-UHFFFAOYSA-N	253.349	4.730	10	30	CJCC	
[N-]=[N+]=N[C@@H]1CC2(CCCC2)Oc2ccc(Cl)cc21	1535647390	NYGDMWVIHISHGU-LLVKDONJSA-N	263.728	4.787	10	30	CJCC	
CN(C)c1ccc(C=Cc2nc3ccccc3s2)cc1	2265239487	MVMOMSLTZMMLJR-UHFFFAOYSA-N	280.396	4.533	10	30	CJCC	
Cc1cc(N=Nc2ccccc2)cc(C)c1N(C)C	256226969	FKXMWTSMGOCHQB-UHFFFAOYSA-N	253.349	4.785	10	30	CJCC	
CCOc1cccc(N=Nc2cccc(OCC)c2)c1	606523730	QMCKYOWGLDWRIW-UHFFFAOYSA-N	270.332	4.899	10	30	CJCC	
CN(C)c1ccccc1/N=N/c1nc2ccccc2s1	96334600	NBAUQRHZHJEPCU-ISLYRVAYSA-N	282.372	4.778	10	30	CJCC	
Cc1ccc2ncccc2c1-c1ccc(N(C)C)c(N=N)c1	604934859	CAEPUYFMDLUMPS-UHFFFAOYSA-N	290.370	4.939	10	30	CJCC	
Cc1cc(/N=N/c2cccc3ccccc23)c(N)cc1N	5419513	ISAXZYNEXMETQQ-QZQOTICOSA-N	276.343	4.728	10	30	CJCC	
Nc1ccc2ccccc2c1N=Nc1ccc([N+](=O)[O-])cc1	256385859	VERRKUAVICFWGH-UHFFFAOYSA-N	292.298	4.746	10	30	CJCC	
Cc1cc2c3ccc(O)c(O)c3ccc2c2ccccc12	146217697	BKUYHUOAKHJJNG-UHFFFAOYSA-N	274.319	4.866	10	30	CJCC	
Cc1ccc(/N=N/c2cc(C)cc(C)c2N)c(C)c1	5419746	LERDYFSISFKRET-VHEBQXMUSA-N	253.349	4.918	10	30	CJCC	
Cc1nn(C)c(O)c1/N=N/c1ccc(-c2ccccc2)cc1	4389882	KEUJAWYLPHMLDP-VHEBQXMUSA-N	292.342	4.517	10	30	CJCC	
Oc1ccn(-c2ccc(N=Nc3ccc(Cl)cc3)cc2)n1	669371483	AEUVIBSMJGHQOA-UHFFFAOYSA-N	298.733	4.647	10	30	CJCC	
O=C(O)c1cc2ccccc2c(/N=N/c2ccccc2)c1O	4417026	DYMRMULFWJUGDJ-VHEBQXMUSA-N	292.294	4.659	10	30	CJCC	
CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1Cl	18130342	VMTDTOIZWATUSI-ISLYRVAYSA-N	273.723	4.714	10	30	CJCC	
Nc1ccc(/N=N/c2ccc(O)cc2)c2ccccc12	238790057	FFDPIXCSGZIVSA-VHEBQXMUSA-N	263.300	4.543	10	30	CJCC	
CCCc1cc(Cc2ccc(N)cc2)cc(C(C)C)c1N	33611073	IAZGYMXXLFYKOE-UHFFFAOYSA-N	282.431	4.518	10	30	CJCC	
Cc1cc(-c2ccc(N(C)C)c(N=N)c2)c2cccnc2c1	96333777	KGFSIKQIBKAPPV-UHFFFAOYSA-N	290.370	4.939	10	30	CJCC	
S=C(N=Nc1ccccc1)N=Nc1ccccc1	242495974	GWJXGGNBNZFXMM-UHFFFAOYSA-N	254.318	4.839	10	30	CJCC	
CC(C)c1cc(Oc2ccc(N)cn2)cc(C(C)C)c1	92672	GOKKPMOQLPFCPI-UHFFFAOYSA-N	270.376	4.703	10	30	CJCC	
CNc1ccc(N=Nc2ccccc2)cc1SC	256312895	MYABYDOTBZTTJE-UHFFFAOYSA-N	257.362	4.866	10	30	CJCC	
CC(=O)Nc1ccc(/N=N/c2cccc(Cl)c2)cc1	4300427	ACKKAZDUKJBBDQ-ISLYRVAYSA-N	273.723	4.714	10	30	CJCC	
Oc1csc2c(Cl)c(Cl)c(Cl)cc12	111891669	RNKRITYZKXPFGM-UHFFFAOYSA-N	253.537	4.567	10	30	CJCC	
Cc1n[nH]c(C)c1/N=N/c1ccc(Cl)cc1Cl	4299972	RXLFFBURFHMMQB-WUKNDPDISA-N	269.135	4.749	10	30	CJCC	
CCN(CC)c1ccc(N=Nc2ccc(N)c(OC)c2)cc1	606514877	HVAGMKVBOXMXQV-UHFFFAOYSA-N	298.390	4.539	10	30	CJCC	
CC(C)c1cc(Cc2ccc(N)cc2)cc(C(C)C)c1N	33610336	XMHYNCJWBBKQTQ-UHFFFAOYSA-N	282.431	4.689	10	30	CJCC	
Fc1ccc(C(=S)c2ccc(C(F)(F)F)cc2)cc1	95935610	XKYJPOWJSATIEU-UHFFFAOYSA-N	284.277	4.611	10	30	CJCC	
CCN(CC)c1ccc(/N=N/c2ccc(N)cc2)cc1	19721912	GJHHSJRCUUFBLO-VHEBQXMUSA-N	268.364	4.530	10	30	CJCC	
S=C1C2(CCCCC2)C(=S)C12CCCCC2	2507557	DARMWCWDYMRHMH-UHFFFAOYSA-N	252.448	4.641	10	30	CJCC	
CC(C)(C)OC(=O)N1CCC(CCCCCN=[N+]=[N-])CC1	669371722	UWGKARNEZZWPIG-UHFFFAOYSA-N	296.415	4.504	10	30	CJCC	
Nc1ccccc1Nc1c2ccccc2nc2ccccc12	5422269	BAUGCEXLSBLNFU-UHFFFAOYSA-N	285.350	4.714	10	30	CJCC	
Oc1ccc(Cl)cc1N=Nc1ccc(O)c2ncccc12	255962277	AJFRPQSTNAFSHG-UHFFFAOYSA-N	299.717	4.715	10	30	CJCC	
Oc1ccn(-c2ccc(/N=N/c3ccc(Cl)cc3)cc2)n1	616582075	AEUVIBSMJGHQOA-ISLYRVAYSA-N	298.733	4.647	10	30	CJCC	
CC(C)(C)c1ccc(O)c(N=Nc2ccc(C(=O)O)cc2)c1	254712920	KMZUSLLYSWUQDP-UHFFFAOYSA-N	298.342	4.803	10	30	CJCC	
Nc1[nH]nc(C2CC2)c1/N=N/c1ccc(Cl)c(Cl)c1	13122074	XRDJBWCKWYAEOK-FBMGVBCBSA-N	296.161	4.592	10	30	CJCC	
CCN(CC)c1ccc(/N=N/c2n[nH]c3ccccc23)cc1	103845995	FKJXEQVPDULPEI-CZIZESTLSA-N	293.374	4.825	10	30	CJCC	
Cc1ncc(N=Nc2ccccc2)c(-c2ccccc2)n1	254758816	HZUOAIKKERTFQU-UHFFFAOYSA-N	274.327	4.867	10	30	CJCC