smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1nn(-c2cccc(S(=O)(=O)O)c2)c(O)c1/N=N/c1cc(Cl)cc(S(=O)(=O)O)c1O	4261855	BPRDAFNKPFOFEA-VHEBQXMUSA-N	488.887	3.154	10	30	JGCC	
Cc1cc(Cc2ccc(N(C[C@@H]3CO3)C[C@@H]3CO3)c(C)c2)ccc1N(C[C@@H]1CO1)C[C@@H]1CO1	197976270	URMAPCSETFYZQA-ZGFBMJKBSA-N	450.579	3.102	10	30	JGCC	
CC(C)NC(=O)c1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1	38605121	DKXUMDQYNLEUKW-UHFFFAOYSA-N	479.514	3.173	10	30	JGCC	
Cc1cc(=O)oc2cc(O[C@H]3O[C@@H]4CO[C@H](c5ccccc5)O[C@@H]4[C@H](O)[C@@H]3N=[N+]=[N-])ccc12	604970732	MYWUUBHOPGUEKN-MIFVUEQCSA-N	451.435	3.359	10	30	JGCC	
CC(=O)Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)c(/N=N/c3ccccc3)c(O)c12	105821288	JGWYPPCSIMCNLP-QZQOTICOSA-N	465.465	3.413	10	30	JGCC	
COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)C1=Cc1ccc2c(c1)OCO2	2265279355	FCEOQSVQGRDOJX-UHFFFAOYSA-N	451.475	3.348	10	30	JGCC	
O=C(O)c1ccccc1/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc2c1O	39071423	UTAFEYZOYDEKOL-VHEBQXMUSA-N	452.422	3.152	10	30	JGCC	
CCC(=O)Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1	33609801	SZIAGPLOSYFONP-UHFFFAOYSA-N	465.487	3.383	10	30	JGCC	
Cc1cc(=O)oc2cc(O[C@H]3O[C@@H]4CO[C@H](c5ccccc5)O[C@@H]4[C@@H](O)[C@@H]3N=[N+]=[N-])ccc12	604970734	MYWUUBHOPGUEKN-SICDYIMMSA-N	451.435	3.359	10	30	JGCC	
COc1cc([N+](=O)[O-])ccc1/N=N/c1ccc(N(CCOC(C)=O)CCOC(C)=O)cc1C(N)=O	38609491	LOIKGMKIHUUUPN-OCOZRVBESA-N	487.469	3.050	10	30	JGCC	
O=C(/C=C/c1ccc(O)c(O)c1)OCCCCCCCCCCCC(=O)OC[C@@H](O)CO	221029828	YAVKDKJSCPUIPL-PKHIPVCBSA-N	452.544	3.452	10	30	JGCC	
COc1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(N)ccc3c2O)c(S(=O)(=O)O)c1	38611269	ZPRUFNWBYQKDGT-FMQUCBEESA-N	453.454	3.045	10	30	JGCC	
Cc1cc(N(CCO)CCO)ccc1C(O)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1	38635898	BMKWCIQXVJPDKS-UHFFFAOYSA-N	463.622	3.202	10	30	JGCC	
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@H]1/N=N/c1cc([N+](=O)[O-])cc(Cl)c1O	100049759	XFQOAYVRNONXOR-HLAUDOPJSA-N	453.820	3.076	10	30	JGCC	
Cc1cc(=O)oc2cc(O[C@H]3O[C@@H]4CO[C@H](c5ccccc5)O[C@@H]4[C@@H](O)[C@H]3N=[N+]=[N-])ccc12	604970733	MYWUUBHOPGUEKN-MPCGXSPRSA-N	451.435	3.359	10	30	JGCC	
COC(=O)c1c(O)c(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)n(-c2ccccc2)c1=O	34598035	BDHGNURAFQWXIV-QZQOTICOSA-N	455.339	3.267	10	30	JGCC	
CC(=O)Nc1cc(N)ccc1/N=N/c1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1	31291892	KOXYXBGVZGWXED-QURGRASLSA-N	464.481	3.289	10	30	JGCC	
O=C(O)c1cc(/N=N/c2cc(S(=O)(=O)O)c3cccc(S(=O)(=O)O)c3c2)ccc1O	38611052	VKENSDHOFBIEGJ-VHEBQXMUSA-N	452.422	3.152	10	30	JGCC	
Cc1cc(Cc2ccc(N(C[C@@H]3CO3)C[C@@H]3CO3)c(C)c2)ccc1N(C[C@H]1CO1)C[C@H]1CO1	197976281	URMAPCSETFYZQA-IHHOGKELSA-N	450.579	3.102	10	30	JGCC	
COc1cc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)cc1N(CCO)CCO	111399951	ZGEDNLYBHOQTOJ-GHVJWSGMSA-N	496.864	3.330	10	30	JGCC	
CC(=O)[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)c(N=N)c1	223355535	HZBBWUJEQFOIBU-OAQYLSRUSA-N	499.487	3.181	10	30	JGCC	
Cc1cc(Cc2ccc(N(C[C@@H]3CO3)C[C@@H]3CO3)c(C)c2)ccc1N(C[C@H]1CO1)C[C@@H]1CO1	197976275	URMAPCSETFYZQA-VPBXCIAMSA-N	450.579	3.102	10	30	JGCC	
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@@H]1/N=N/c1cc([N+](=O)[O-])cc(Cl)c1O	100049758	XFQOAYVRNONXOR-IWHJNQCMSA-N	453.820	3.076	10	30	JGCC	
COC[C@H](O)CNc1cc(NC(C)=O)c(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	103841587	AQXNELWSQUVQKO-IKYLFJRQSA-N	462.419	3.305	10	30	JGCC	
CCN(C(C)=O)c1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1	141655390	WIASDCXKSKXVJN-UHFFFAOYSA-N	479.514	3.407	10	30	JGCC	
COC[C@@H](O)CNc1cc(NC(C)=O)c(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	103841582	AQXNELWSQUVQKO-URHHSZMMSA-N	462.419	3.305	10	30	JGCC	
CC(=O)[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)c(N=N)c1	223355601	HZBBWUJEQFOIBU-NRFANRHFSA-N	499.487	3.181	10	30	JGCC