smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(=O)N[C@H]1[C@H](N=[N+]=[N-])O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1OC[C@@H]1C=CC=CC1	228898785	RVUNWDLDWGTIHC-SIELZFOHSA-N	426.473	3.158	10	30	IGCC	in-vitro
CC(=O)N[C@H]1[C@H](N=[N+]=[N-])O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OC[C@H]1C=CC=CC1	228898773	RVUNWDLDWGTIHC-JQZRJQKVSA-N	426.473	3.158	10	30	IGCC	in-vitro
CC(=O)N[C@H]1[C@H](N=[N+]=[N-])O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OC[C@@H]1C=CC=CC1	228898795	RVUNWDLDWGTIHC-JLKFIEDVSA-N	426.473	3.158	10	30	IGCC	in-vitro
CN(C)S(=O)(=O)Oc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1	38611067	JZYBRLDDDCKRCY-UHFFFAOYSA-N	438.461	3.096	10	30	IGCC	
CCN(CC)C[C@@H](O)CNc1c2ccc([N+](=O)[O-])cc2nc2cc(OC)c(OC)cc12	17146604	CUFPWHJUFXFYBJ-HNNXBMFYSA-N	428.489	3.428	10	30	IGCC	
[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Oc2ccc(C(=O)c3ccccc3)c(O)c2)C1=O	38614011	HGJZGZZHXVULMI-UHFFFAOYSA-N	446.440	3.271	10	30	IGCC	
COc1ccc(C)cc1Nc1cc(S(=O)(=O)O)c(N)c2c1C(=O)c1ccccc1C2=O	44710046	MNEQIXSBDMRSHC-UHFFFAOYSA-N	438.461	3.352	10	30	IGCC	
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C(=O)O)cc2)c1O	102572953	WSODZNOMMOAGJD-ODLFYWEKSA-N	446.419	3.089	10	30	IGCC	
CCOC(=O)C=C(NC(=O)Nc1ccc(C)cc1)N1CCN(c2ccc(OC)cc2)CC1	2265276238	ZTNDROMEOLJBQD-UHFFFAOYSA-N	438.528	3.352	10	30	IGCC	
CCOC(=O)c1ccc(Cl)c(/N=N/[C@@H](C(C)=O)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1	103834387	CQPRNMLECRNDCD-OTXPQFFASA-N	443.847	3.366	10	30	IGCC	
COc1cc(-c2ccc(/N=N/N(C)CC(=O)O)c(OC)c2)ccc1/N=N/N(C)CC(=O)O	200262231	KOSAAMSYJZOCPL-MBALSZOMSA-N	444.448	3.401	10	30	IGCC	
CCOCCOc1ccc(-c2cc(O)c3c(c2N)C(=O)c2c(O)ccc(N)c2C3=O)cc1	38635118	IHFFAAMKORYJQC-UHFFFAOYSA-N	434.448	3.120	10	30	IGCC	
CC(=O)N[C@H]1[C@H](N=[N+]=[N-])O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1OC[C@H]1C=CC=CC1	228898760	RVUNWDLDWGTIHC-PBLHBYQSSA-N	426.473	3.158	10	30	IGCC	in-vitro
COc1cccc([C@@H]2Nc3ccccc3C(=O)N2NS(=O)(=O)c2ccc(C)cc2)c1O	1033164	YLNNRUNZBCDRKW-OAQYLSRUSA-N	439.493	3.169	10	30	IGCC	
CC(=O)Nc1ccc(N(CCO)CCO)cc1/N=N/c1snc2ccc([N+](=O)[O-])cc12	299754822	VQANJGCABFDIII-QURGRASLSA-N	444.473	3.369	10	30	IGCC	
CCOC(=O)Oc1ccc(-c2cc(N)c3c(c2O)C(=O)c2c(N)ccc(O)c2C3=O)cc1	31317850	YVTLJQCBKZMKOJ-UHFFFAOYSA-N	434.404	3.240	10	30	IGCC	
CCN1/C(=C/C=C2\C(=O)N(c3ccc(S(=O)(=O)O)cc3)N=C2C)Oc2ccccc21	111424151	ZHDYUNFDUDYQNL-IKKKYKSWSA-N	425.466	3.343	10	30	IGCC	
CCOCCOc1ccc(-c2cc(N)c3c(c2O)C(=O)c2c(N)ccc(O)c2C3=O)cc1	31331448	VNWSDQPCIMGECC-UHFFFAOYSA-N	434.448	3.120	10	30	IGCC	
CNc1cc(C(=O)NCCCN(C)C2CCCCC2)c(N)c2c1C(=O)c1ccccc1C2=O	223609645	USPQNHRMSFMNOZ-UHFFFAOYSA-N	448.567	3.470	10	30	IGCC	
CCOC(=O)c1ccc(Cl)c(/N=N/[C@H](C(C)=O)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1	103834395	CQPRNMLECRNDCD-OZMIJRPQSA-N	443.847	3.366	10	30	IGCC	
COc1cccc([C@H]2Nc3ccccc3C(=O)N2NS(=O)(=O)c2ccc(C)cc2)c1O	1033163	YLNNRUNZBCDRKW-NRFANRHFSA-N	439.493	3.169	10	30	IGCC	
Cc1nnsc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-n2c(C)ccc2C)CC1	8618295	RVAGQOMOIXTGME-UHFFFAOYSA-N	426.502	3.125	10	30	IGCC	
C[N+](C)(C)CCCNc1ccc(NCCC[N+](C)(C)C)c2c1C(=O)c1ccccc1C2=O	141891245	LLRSAGQPQSNGLI-UHFFFAOYSA-P	438.616	3.478	10	30	IGCC	
CCN(CC)C[C@H](O)CNc1c2ccc([N+](=O)[O-])cc2nc2cc(OC)c(OC)cc12	4428559	CUFPWHJUFXFYBJ-OAHLLOKOSA-N	428.489	3.428	10	30	IGCC	
Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1/N=N/c1ccc([N+](=O)[O-])cc1C(=O)O	38810770	IDBOAWWVNVRVHH-FMQUCBEESA-N	432.370	3.396	10	30	IGCC	
CCOC(=O)COc1ccc(Oc2cc(O)c3c(c2N)C(=O)c2ccccc2C3=O)cc1	31351407	JYNOZFVFSQTKFP-UHFFFAOYSA-N	433.416	3.484	10	30	IGCC	
Nc1ccc(S(=O)(=O)O)c2ccc(/N=N/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)c(O)c12	111857836	MLNFCYBCTRZNEC-VHEBQXMUSA-N	449.357	3.312	10	30	IGCC	
COc1cc(/N=N/c2cc(S(=O)(=O)O)c3cccc(S(=O)(=O)O)c3c2)ccc1N	31351856	XCQVRFXKEGDNQY-FMQUCBEESA-N	437.455	3.339	10	30	IGCC	
CCOC(=O)c1cc(NS(=O)(=O)c2cccc3nonc23)ccc1N1CCCCC1	1032613	OGUBRLKYHFSEPA-UHFFFAOYSA-N	430.486	3.191	10	30	IGCC