smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCOC(=O)c1nn(-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)c(=O)c2c(N)scc12	44387464	OBLPMIOAEQMPMT-UHFFFAOYSA-N	463.415	2.435	70	1	JEIF	
CN(C(=O)CCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1)c1ccc(S(=O)(=O)F)cc1	43300458	GNSOFUBOMLCNAW-UHFFFAOYSA-N	460.535	2.126	70	1	JEIF	
Cc1cc(-c2nc3cc(C(=O)N4CCN(CCO)CC4)ccc3[nH]2)ccc1S(=O)(=O)Cl	586928278	UILYPQMZFQSOGK-UHFFFAOYSA-N	462.959	2.216	70	1	JEIF	
Cc1cc(S(=O)(=O)F)ccc1NC(=O)CCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1	44182047	ZOOUXYLNCYVOPC-UHFFFAOYSA-N	460.535	2.410	70	1	JEIF	
COc1cc(NC(=O)CCc2ccc(N3C(N)=NC(N)=NC3(C)C)cc2)ccc1S(=O)(=O)F	43300637	GXRBERZNWIFWFT-UHFFFAOYSA-N	476.534	2.110	70	1	JEIF	
CCc1ccc(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1S(=O)(=O)Cl	586926923	HDLDMCUODBTLRT-UHFFFAOYSA-N	476.986	2.470	70	1	JEIF	
Cc1cc(NC(=O)NCc2ccc(N3C(N)=NC(N)=NC3(C)C)cc2)ccc1S(=O)(=O)F	44201720	PDBGQTATRZXXMU-UHFFFAOYSA-N	461.523	2.160	70	1	JEIF	
C[C@@H](Cc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1	43300639	BLBUEPBCRMDPGM-ZDUSSCGKSA-N	460.535	2.348	70	1	JEIF	
Cc1cc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3[nH]2)ccc1S(=O)(=O)Cl	586928288	UVDWTLNLCCELAK-UHFFFAOYSA-N	455.945	2.487	70	1	JEIF	
CC1(C)N=C(N)N=C(N)N1c1ccc(OCCCNC(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	43300427	RPFKCYAUSNGWFG-UHFFFAOYSA-N	491.549	2.121	70	1	JEIF	
C[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21	963220010	UYWUKGBANLCFQD-CKFHNAJUSA-N	469.350	2.012	70	1	JEIF	
CCCCCNC(=O)[C@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NC(=O)CCC(=O)O	43911136	OOMRJSUHLCGCOS-HNNXBMFYSA-N	482.477	2.114	70	1	JEIF	
COc1ccc(NC(=O)CCc2ccc(N3C(N)=NC(N)=NC3(C)C)cc2)cc1S(=O)(=O)F	43845608	IVNVGIWGCNLABW-UHFFFAOYSA-N	476.534	2.110	70	1	JEIF	
CN(C(=O)COc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1Cl)c1ccc(S(=O)(=O)F)cc1	43307701	LIANKNGHGRBQJV-UHFFFAOYSA-N	496.952	2.226	70	1	JEIF	
Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H]3CCCCNC3=O)cc2F)cn1	218626602	NSSHALWVCNDENF-GOSISDBHSA-N	455.515	2.479	70	1	JEIF	
C[C@H](Cc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1	43300641	BLBUEPBCRMDPGM-CYBMUJFWSA-N	460.535	2.348	70	1	JEIF	
O=C(c1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c1)N1CCN(CCO)CC1	587180055	FENJINNIEQUHSZ-UHFFFAOYSA-N	466.922	2.292	70	1	JEIF	
C[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21	963220024	UYWUKGBANLCFQD-NJSLBKSFSA-N	469.350	2.012	70	1	JEIF	
COc1ccc(S(=O)(=O)F)cc1NC(=O)CCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1	43300497	OQEAKECBRGOTGE-UHFFFAOYSA-N	476.534	2.110	70	1	JEIF	
CC1(C)Oc2ccc(NC(=O)c3ncc(Br)cn3)cc2[C@]2(COC(N)=N2)C12COC2	218407493	OKNLKKUCXCACGI-HXUWFJFHSA-N	474.315	2.219	70	1	JEIF	
COc1cc(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925480	RERSLFPLYBJPIO-UHFFFAOYSA-N	473.960	2.349	70	1	JEIF	
CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)CS(=O)(=O)F)[C@@H](C)OCc1ccccc1	95566050	WIRWJWOKZPEIPB-ZZEDZQHJSA-N	487.638	2.280	70	1	JEIF	
Cc1ccc(NC(=O)CCc2ccc(N3C(N)=NC(N)=NC3(C)C)cc2)cc1S(=O)(=O)F	43845642	GHJDKMNHSDWUIM-UHFFFAOYSA-N	460.535	2.410	70	1	JEIF	
CC1(C)N=C(N)N=C(N)N1c1ccc(SCC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	43307638	YEWWWFDZTIIRKH-UHFFFAOYSA-N	464.548	2.261	70	1	JEIF	
COc1ccc(N2C(=O)NC(=O)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1OS(=O)(=O)F	1857647577	REERGFCHSLDRDB-MRXNPFEDSA-N	470.431	2.112	70	1	JEIF	
COc1cc(Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925880	YBJDIMRHVFAQEZ-UHFFFAOYSA-N	473.960	2.349	70	1	JEIF	
CCCCCNC(=O)[C@@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NC(=O)CCC(=O)O	43911132	OOMRJSUHLCGCOS-OAHLLOKOSA-N	482.477	2.114	70	1	JEIF	
O=C(c1ccc(NS(=O)(=O)c2cccc3nccnc23)cc1)N1CCC(O)(Cc2cn[nH]c2)CC1	217780349	AJDSMFXJEMJVHU-UHFFFAOYSA-N	492.561	2.364	70	1	JEIF	
O=C(c1ccc(NS(=O)(=O)c2cccc3nccnc23)cc1)N1CCC(O)(Cc2ccn[nH]2)CC1	217744707	VRUNPDZEQLOQMJ-UHFFFAOYSA-N	492.561	2.364	70	1	JEIF	
CC1(C)Oc2ccc(NC(=O)c3ncc(Br)cn3)cc2[C@@]2(COC(N)=N2)C12COC2	218407566	OKNLKKUCXCACGI-FQEVSTJZSA-N	474.315	2.219	70	1	JEIF	
COc1ccc(N2C(=O)NC(=O)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OS(=O)(=O)F	1857647576	REERGFCHSLDRDB-INIZCTEOSA-N	470.431	2.112	70	1	JEIF