smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC1(C)O[C@@H]2[C@H](O)O[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1	255992729	OOVHEXLXHQNNLL-LNRXMEIDSA-N	428.601	2.800	50	30	IFGC	
CCOC(=O)/C(C#N)=C\c1cc(/C=C(/C#N)C(=O)OCC)c(N(C)C)c(C#N)c1N(C)C	12368924	VDXGBQLYLNYCJA-IWSCKCOWSA-N	435.484	2.630	50	30	IFGC	
CC1(C)O[C@H]2[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@@H](O)[C@H]2O1	255992730	OOVHEXLXHQNNLL-MYGLTJDJSA-N	428.601	2.800	50	30	IFGC	
COc1ccc(C=NNC(=O)C(=CNc2nccc(C)n2)NC(=O)c2ccccc2)cc1	2265276545	WTAPNQLJGXVTTG-UHFFFAOYSA-N	430.468	2.627	50	30	IFGC	
CC1(C)O[C@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](O)[C@H]2O1	195952413	XJKAZNSYWAGYDQ-GXRSIYKFSA-N	428.601	2.800	50	30	IFGC	
O=C(NNS(=O)(=O)c1ccc(F)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F	1027023	WFYRERTYHADIFT-UHFFFAOYSA-N	428.367	2.654	50	30	IFGC	
O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NNS(=O)(=O)c1ccc(Cl)cc1	1036241	RTODYTYEEXGAKO-UHFFFAOYSA-N	441.296	2.986	50	30	IFGC	
COCCCNC(=S)NNC(=O)c1c(OC)cc(C(F)(F)F)cc1C(F)(F)F	3467298	RBRWXFABXZDNHP-UHFFFAOYSA-N	433.374	2.878	50	30	IFGC	
O=C(Cn1nnc(-c2cccc(Cl)c2Cl)n1)NNC(=O)c1ccc(Cl)cc1	1044959	JPLUHMIOVPWXHS-UHFFFAOYSA-N	425.663	2.762	50	30	IFGC	
O=C(Cn1nnc(-c2cc(Cl)cc(Cl)c2)n1)NNC(=S)Nc1ccccc1F	1044937	KXMDXOXIZCTPFZ-UHFFFAOYSA-N	440.291	2.804	50	30	IFGC	
CC1(C)O[C@@H]2[C@H](O)O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1	205032509	OOVHEXLXHQNNLL-YUMYIRISSA-N	428.601	2.800	50	30	IFGC	
COC(=O)c1ccccc1S(=O)(=O)/C(C#N)=C/Nc1nc(SC)nc(C2CC2)n1	2158355	PGJVJVYSNIMBIR-ZRDIBKRKSA-N	431.499	2.508	50	30	IFGC	
C=C(C)C(=O)OCCO[Si](OCCOC(=O)C(=C)C)(c1ccccc1)c1ccccc1	195766952	WANDANCIWZILMQ-UHFFFAOYSA-N	440.568	2.515	50	30	IFGC	
Cc1ccc(S(=O)(=O)NNC(=O)CSc2ncnc3sc4c(c23)CCCC4)cc1	12340342	MHXGFMXKPMFOKT-UHFFFAOYSA-N	448.595	2.980	50	30	IFGC	
O=C(Cn1nnc(-c2ccccc2C(F)(F)F)n1)NNC(=S)Nc1ccccc1F	1044769	CPAUBSPBRJTFBV-UHFFFAOYSA-N	439.398	2.516	50	30	IFGC	
N#C/C(C(N)=O)=C1\N/C(=N\c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c2ccccc21	38634136	XHTAFVMLAHEELK-QZQOTICOSA-N	433.427	2.889	50	30	IFGC	
COc1cc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc(OC)c1OC	1037202	BLWRVILPBMYPIS-UHFFFAOYSA-N	429.256	2.859	50	30	IFGC	
N#C/C(=C\NN1CCOCC1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	1037675	YFWOBKQEZURVDP-UKTHLTGXSA-N	429.342	2.700	50	30	IFGC	
Cc1cc(C(=O)NNC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)no1	1035993	NUJGSWNHHCKNBV-UHFFFAOYSA-N	441.284	2.940	50	30	IFGC	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	1048056	LARVXKQSVVVOGZ-HYARGMPZSA-N	431.514	2.990	50	30	IFGC	
Cc1nnsc1C(=O)NNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	1048648	SFKUFMXZRWZJKG-UHFFFAOYSA-N	434.343	2.507	50	30	IFGC	
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C	4429103	MLTOGNYFVGWIRE-PLTZVPCUSA-N	436.932	2.778	50	30	IFGC	
COc1cc(NC(=S)NNC(=O)CSc2nc3cccnc3s2)cc(OC)c1	8647750	IBQPVWKILJCVSR-UHFFFAOYSA-N	435.556	2.818	50	30	IFGC	
O=C(CSCCS(=O)(=O)c1ccccc1)NNC(=O)Nc1ccc(Cl)cc1	2150390	VQOLUWCNTYSCNZ-UHFFFAOYSA-N	427.935	2.700	50	30	IFGC	
CS(=O)(=O)NNC(=O)c1sccc1OCc1ncc(C(F)(F)F)cc1Cl	3137887	PQTYKAMRDXKTIJ-UHFFFAOYSA-N	429.829	2.588	50	30	IFGC	
O=C(CS(=O)(=O)Cc1cccc(C(F)(F)F)c1)NNC(=O)c1cccc(Cl)c1	12339788	ONUKBUBEXIUBRW-UHFFFAOYSA-N	434.823	2.735	50	30	IFGC	
Cn1c(Cc2ccsc2)nnc1SCC(=O)NNC(=O)c1c(F)cccc1Cl	1047554	BLDVQBWEARAHER-UHFFFAOYSA-N	439.925	2.813	50	30	IFGC	
O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1sccc1I	8618084	WMMIFSXBZDEIBQ-UHFFFAOYSA-N	442.687	2.629	50	30	IFGC	
O=C(Cl)C[C@](O)(C(=O)c1ccc(Cl)cc1)[C@H](O)[C@H](O)C(=O)c1ccc(Cl)cc1	504650767	HWBPAGFLYJHNSJ-QRQLOZEOSA-N	445.682	2.667	50	30	IFGC	
O=C(Cn1nnc(-c2cc(Cl)cc(Cl)c2)n1)NNC(=O)c1ccc(Cl)cc1	1044956	BFJILIOMYSEKNP-UHFFFAOYSA-N	425.663	2.762	50	30	IFGC	
CC1(C)O[C@@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](O)[C@@H]2O1	195930743	XJKAZNSYWAGYDQ-CZYKHXBRSA-N	428.601	2.800	50	30	IFGC	
CCOC(=O)C12CC(CI)(C1)OC21CN(C(=O)OC(C)(C)C)C1	1535640736	YMGZVLNQIRKSLD-UHFFFAOYSA-N	437.274	2.523	50	30	IFGC	
COc1cc([N+](=O)[O-])c(OC)cc1SCC(=O)NNC(=S)Nc1ccc(F)cc1	2161016	MGWGDBKPLHAQFA-UHFFFAOYSA-N	440.478	2.861	50	30	IFGC	
Cc1ccc(OCC(=O)NNS(=O)(=O)c2cccc(C(F)(F)F)c2)c2c1CCC2	1043197	RJAXIVIBPMWRBR-UHFFFAOYSA-N	428.432	2.891	50	30	IFGC	
Cc1cc(N(CCO)CCO)ccc1/N=N/c1ccc(S(=O)(=O)NCCCl)cc1	111394747	NTPQPUJVBMNPCW-GHVJWSGMSA-N	440.953	2.719	50	30	IFGC	
CC1(C)O[C@H]2[C@@H](O1)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[C@H]2O	196065884	OOVHEXLXHQNNLL-CLAROIROSA-N	428.601	2.800	50	30	IFGC	
O=C(Cl)C[C@](O)(C(=O)c1ccc(Cl)cc1)[C@H](O)[C@@H](O)C(=O)c1ccc(Cl)cc1	504650768	HWBPAGFLYJHNSJ-UHOSZYNNSA-N	445.682	2.667	50	30	IFGC