smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CSCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NNC(=O)C(C)C	35606194	ZOIGXUXMIKIVTH-CYBMUJFWSA-N	509.494	2.928	50	30	KFGC	
O=C(CCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1)NNS(=O)(=O)c1cccs1	3045756	QKXTVSVRXVIJLS-UHFFFAOYSA-N	504.011	2.585	50	30	KFGC	
O=C(CCc1ccccc1)N[C@@H](CSSC[C@H](NC(=O)CCc1ccccc1)C(=O)O)C(=O)O	32130547	CNRYFRKMHYKNQM-PMACEKPBSA-N	504.630	2.772	50	30	KFGC	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1ccc(-n2nnnc2C2(N3CCOCC3)CCCCC2)cc1	35238453	PNERRXCYFVHIFW-ITYLOYPMSA-N	504.551	2.826	50	30	KFGC	
COc1ccc(C=O)c2c1O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](OS(C)(=O)=O)[C@H](O)[C@]21CCOC(C)=O	2265351851	KSQBFHGIENCPRH-PJQXWLGWSA-N	558.722	2.960	50	30	KFGC	
O=C(NNC(=NS(=O)(=O)c1ccccc1)NNC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1	12339756	PZWXSWTYZCDBDO-UHFFFAOYSA-N	506.371	2.907	50	30	KFGC	
C=C(C)C(=O)OCCOC(=O)c1cc(C(=O)Cl)c(C(=O)OCCOC(=O)C(=C)C)cc1C(=O)Cl	103822864	SCQIJALTNRNFIM-UHFFFAOYSA-N	515.298	2.997	50	30	KFGC	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1	8616859	QIPUSXMVAJBWMJ-UHFFFAOYSA-N	521.636	2.917	50	30	KFGC	
CCOCCOCCOCCO[Si](CCCN)(OCCOCCOCCOCC)C(=O)CCC(=O)CCC(=O)CCC(=O)CC	199896036	LYWVREINLLWWJN-UHFFFAOYSA-N	665.894	2.516	50	30	KFGC	
Cc1ccc(-n2c(=O)n(CCCCCCN=C=O)c(=O)n(-c3ccc(C)c(N=C=O)c3)c2=O)cc1N=C=O	111900667	OOOQVEARCWMCMR-UHFFFAOYSA-N	516.514	2.598	50	30	KFGC	
Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H](O)[C@H](O)[C@H]3O)ccc12	205140579	YTHDSJIOVBDTQV-HPLFBIAMSA-N	576.718	2.864	50	30	KFGC	in-vitro
O=C1[C@@H]2[C@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br	725335277	WOFYQUJNULCFLN-UECQVJMISA-N	672.006	2.542	50	30	KFGC	
Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H](O)[C@H](O)[C@@H]3O)ccc12	575229235	YTHDSJIOVBDTQV-GQZUPRNYSA-N	576.718	2.864	50	30	KFGC	in-vitro
Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]3O)ccc12	575229238	YTHDSJIOVBDTQV-YJWURLRRSA-N	576.718	2.864	50	30	KFGC	in-vitro
C[C@H](CCC(=O)N(CCS(=O)(=O)O)N=O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O	119577087	RGGOJLKORFRSHP-HZAMXZRMSA-N	544.711	2.762	50	30	KFGC	
COc1ccc(S(=O)(=O)NNC(=O)CCN(Cc2ccco2)S(=O)(=O)c2ccc(Cl)cc2)cc1	8648572	WEPUROFVXJWVBF-UHFFFAOYSA-N	528.008	2.532	50	30	KFGC	
Cc1cc(-c2nn(C)c(=O)c3ccccc23)cc(C)c1OCC(=O)NNS(=O)(=O)c1ccc(F)cc1	1025053	IEBUKLPHNNZIQT-UHFFFAOYSA-N	510.547	2.745	50	30	KFGC	
C=C(C)C(=O)OCCOC(=O)c1cc(C(=O)OCCOC(=O)C(=C)C)c(C(=O)Cl)cc1C(=O)Cl	103822868	HHADMXONRFLIKP-UHFFFAOYSA-N	515.298	2.997	50	30	KFGC	
CSCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NNC(=O)C(C)C	35606197	ZOIGXUXMIKIVTH-ZDUSSCGKSA-N	509.494	2.928	50	30	KFGC	
O=C(Cn1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNC(=S)NCCc1ccccn1	8648105	UQMJUZXEVVLHLT-UHFFFAOYSA-N	518.447	2.511	50	30	KFGC	
O=C1[C@H]2[C@@H](C(=O)N1CCN1C(=O)[C@H]3[C@@H](C1=O)[C@@H]1C[C@H]3[C@@H](Br)[C@@H]1Br)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br	725335274	WOFYQUJNULCFLN-FQONSTDSSA-N	672.006	2.542	50	30	KFGC	
O=C1[C@H]2[C@@H](C(=O)N1CCN1C(=O)[C@H]3[C@@H](C1=O)[C@@H]1C[C@H]3[C@@H](Br)[C@H]1Br)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br	725335275	WOFYQUJNULCFLN-IVRFRBEDSA-N	672.006	2.542	50	30	KFGC	
O=C1[C@@H]2[C@H]3C[C@H]([C@H](Br)[C@H]3Br)[C@@H]2C(=O)N1CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br	725335276	WOFYQUJNULCFLN-JOFLIWRSSA-N	672.006	2.542	50	30	KFGC	
Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]3O)ccc12	575229237	YTHDSJIOVBDTQV-UADDYFSRSA-N	576.718	2.864	50	30	KFGC	in-vitro
NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)OC(=O)[C@H](CCCCN)NC(=O)OCc1ccccc1	100082825	FLSPFAWUTVGOAX-ZEQRLZLVSA-N	542.633	2.904	50	30	KFGC	
CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	238791399	YEJYGCSQLCXHSL-JYIVOWJTSA-N	558.700	2.729	50	30	KFGC