smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
N#C/C(=C\c1ccc(Cl)cc1Cl)c1cccc(Cl)c1	160894	OHMQUBMMXPQGHD-WUXMJOGZSA-N	308.595	5.711	50	30	DKGC	
ClCc1cc(OCc2ccccc2)c(Cl)cc1Cl	2265369586	KIOBHXXQLGZUML-UHFFFAOYSA-N	301.600	5.311	50	30	DKGC	
CC(C)CCCCCCCCCCCCCCC(=O)Cl	5757969	LFDKQJVNMJFNGG-UHFFFAOYSA-N	302.930	6.869	50	30	DKGC	
CCC(C)(C)c1ccc(OCCCCCl)c(C(C)(C)CC)c1	5818954	WQXDZIXHDZKOGO-UHFFFAOYSA-N	324.936	6.460	50	30	DKGC	
Cc1ccc(/C(=C/C=C(C#N)C#N)Nc2ccc(Cl)cc2)cc1	3126108	CAKVONRCOUVSRK-ODLFYWEKSA-N	319.795	5.075	50	30	DKGC	
CCCC[C@H](CC)COOC(=O)OOC[C@H](CC)CCCC	77913501	MONDOAXQDOCXQW-IYBDPMFKSA-N	318.454	5.436	50	30	DKGC	
CC(C)(C)[Si](C)(C)O[C@@H](CCCO)c1ccccc1Cl	1081249793	MKFLFMIDYXLIQV-HNNXBMFYSA-N	314.929	5.175	50	30	DKGC	
CC(C)(CCCCBr)O[Si](C)(C)C(C)(C)C	382710291	XPSZWFHSSPGADJ-UHFFFAOYSA-N	309.364	5.352	50	30	DKGC	in-vitro
N#CC(=Cc1cccc2ccccc12)c1ccc(-n2cccc2)cc1	2265270081	NKXFPNUGHWTIKP-UHFFFAOYSA-N	320.395	5.695	50	30	DKGC	
CC(=O)[C@H]1CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C	196071187	NHWSULVSYVPIIS-MUQADHOPSA-N	310.554	5.182	50	30	DKGC	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)c1c[nH]c2ccccc12	69102	IBYFSEMRTXALBQ-UKTHLTGXSA-N	312.294	5.251	50	30	DKGC	
ClCc1c2ccccc2c2ccc3cccc4ccc1c2c43	95842465	FRHNMMRZSKOSOL-UHFFFAOYSA-N	300.788	6.476	50	30	DKGC	
CCCCCCCC[S@@](=O)[S@](=O)CCCCCCCC	103846101	UBCASRCXBQBPCA-WOJBJXKFSA-N	322.580	5.120	50	30	DKGC	
BrCCCCCCCCCCO[C@@H]1CCCCO1	5133879	CRFTXRBAGSTOLW-HNNXBMFYSA-N	321.299	5.045	50	30	DKGC	
CCCCCCCCCCCCOc1ccc(CCl)cc1	110375873	RALHILXHPCKMOX-UHFFFAOYSA-N	310.909	6.725	50	30	DKGC	
CC1(C)C[C@@](C)(c2ccccc2)OO[C@](C)(c2ccccc2)C1	223510616	TVPKHLCRKLUEFA-SFTDATJTSA-N	310.437	5.585	50	30	DKGC	
C[C@H](Oc1ccc(C(C)(C)C)cc1C1CCCC1)C(=O)Cl	33608758	OIYHIUVLOGVVMI-LBPRGKRZSA-N	308.849	5.174	50	30	DKGC	
CC(C)(C)[Si](C)(C)O/C(=N\c1ccccc1)c1ccccc1	195851794	CQKWSHDUCPVOAI-ZZEZOPTASA-N	311.501	5.787	50	30	DKGC	in-vitro
N#C/C(=C\c1cccs1)c1csc2ccc(Cl)cc12	68064	OLOMCAFDZVJVHP-UXBLZVDNSA-N	301.823	5.680	50	30	DKGC	
CCCC[C@H](CC)COOC(=O)OOC[C@@H](CC)CCCC	77913505	MONDOAXQDOCXQW-HOTGVXAUSA-N	318.454	5.436	50	30	DKGC	
CC(C)(C)[Si](C)(C)Oc1ccccc1C#C[Si](C)(C)C	2265384457	DSYHPLWSLDNVHK-UHFFFAOYSA-N	304.582	5.300	50	30	DKGC	
CCCC(C)(C)OOC1(OOC(C)(C)CCC)CCCCC1	100113431	VBQCFYPTKHCPGI-UHFFFAOYSA-N	316.482	5.701	50	30	DKGC	
CCCCCCCCCCCCc1ccc(OCCCl)cc1	111904290	KFPRSDHSMFRDKN-UHFFFAOYSA-N	324.936	6.768	50	30	DKGC	
CC1(C)C[C@@](C)(c2ccccc2)OO[C@@](C)(c2ccccc2)C1	223510502	TVPKHLCRKLUEFA-OYRHEFFESA-N	310.437	5.585	50	30	DKGC	
CCCC[C@@H](CC)COOC(=O)OOC[C@H](CC)CCCC	77913507	MONDOAXQDOCXQW-HZPDHXFCSA-N	318.454	5.436	50	30	DKGC	
CCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C	195751636	PNJMJEXVQAFSBS-UHFFFAOYSA-N	306.671	5.342	50	30	DKGC	
C=C(c1cccc2ccccc12)[C@H]1CCOC2(CCCCC2)OO1	43617438	KDVODVUCBGJVIO-HXUWFJFHSA-N	324.420	5.251	50	30	DKGC	
CCC(C)(C)c1ccc(OCC(=O)Cl)c(C(C)(C)CC)c1	2582035	KSYTWDUNKAIFLK-UHFFFAOYSA-N	310.865	5.206	50	30	DKGC	
CC(C)(C)[Si](C)(C)Oc1ccc(C#C[Si](C)(C)C)cc1	195822469	FIYBCJZTEDXFQE-UHFFFAOYSA-N	304.582	5.300	50	30	DKGC	
CCCCCCCC[S@](=O)[S@@](=O)CCCCCCCC	103846098	UBCASRCXBQBPCA-PMACEKPBSA-N	322.580	5.120	50	30	DKGC	
CCC[C@H](C)c1ccc(OCC(=O)Cl)c([C@H](C)CCC)c1	5649302	NGNBDVOYPDDBFK-UONOGXRCSA-N	310.865	5.638	50	30	DKGC	
O=P(Cl)(Cl)Oc1c(Cl)cc(Cl)cc1Cl	108868719	OSNJGPVZSOCUOV-UHFFFAOYSA-N	314.319	5.611	50	30	DKGC	
CCC[C@H](C)c1cc([C@H](C)CCC)ccc1OCC(=O)Cl	5648676	NGNBDVOYPDDBFK-KGLIPLIRSA-N	310.865	5.638	50	30	DKGC	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2ccccc2Cl)cc1	4344595	JNLYYXSYSLXMHW-FOWTUZBSSA-N	323.823	5.427	50	30	DKGC	
CC(C)(C)[Si](C)(C)O[C@H](CCCO)c1ccccc1Cl	1081249794	MKFLFMIDYXLIQV-OAHLLOKOSA-N	314.929	5.175	50	30	DKGC	
CCCC[C@@H](Cl)CSSC[C@H](Cl)CCCC	5822206	OHACEGHLVXOPHO-VXGBXAGGSA-N	303.364	5.963	50	30	DKGC	
CC(C)C[C@@H](Br)c1ccc(-c2ccccc2)cc1	109843750	CBVVFFQQEJOZIP-QGZVFWFLSA-N	303.243	5.836	50	30	DKGC	
O=C/C=C/c1cc2c(-c3ccc(F)cc3)cccc2nc1C1CC1	104851677	ZRSMCHRHBYDAEU-NSCUHMNNSA-N	317.363	5.130	50	30	DKGC	
C[C@@H](COCc1ccccc1)C(C)(C)O[Si](C)(C)C(C)(C)C	195904998	OKDNUJKBPDXEMV-INIZCTEOSA-N	322.565	5.640	50	30	DKGC	
ClC(Cl)c1ccc(SC(Cl)(Cl)Cl)cc1	2510303	IEYVFLVZQPCASY-UHFFFAOYSA-N	310.460	5.583	50	30	DKGC	
BrCCCCCCCCCCO[C@H]1CCCCO1	5133895	CRFTXRBAGSTOLW-OAHLLOKOSA-N	321.299	5.045	50	30	DKGC	
CC(C)(C)OCCCCCCCCCCCCBr	2265383681	ORGRFKLXDYVNCO-UHFFFAOYSA-N	321.343	6.097	50	30	DKGC	
C[C@@H](Oc1ccc(C(C)(C)C)cc1C1CCCC1)C(=O)Cl	33608756	OIYHIUVLOGVVMI-GFCCVEGCSA-N	308.849	5.174	50	30	DKGC	
CC(C)C[C@H](Br)c1ccc(-c2ccccc2)cc1	109843748	CBVVFFQQEJOZIP-KRWDZBQOSA-N	303.243	5.836	50	30	DKGC	
CCCCCCCCc1ccc(CCCBr)cc1	217069502	HIGVZZQJVACQSB-UHFFFAOYSA-N	311.307	5.917	50	30	DKGC	
CCCCCCCC[S@](=O)[S@](=O)CCCCCCCC	103846094	UBCASRCXBQBPCA-BGYRXZFFSA-N	322.580	5.120	50	30	DKGC	
ClCc1cc2c3ccccc3cc3ccc4cccc1c4c32	95842462	NSEJACQEDMUEIJ-UHFFFAOYSA-N	300.788	6.476	50	30	DKGC	
C[C@H](Cl)CC[C@H](Cl)[C@H](Cl)CC[C@@H](Cl)CCl	256075774	AMKBEJYNNQNKGD-QCLAVDOMSA-N	314.511	5.235	50	30	DKGC	
C=C(c1cccc2ccccc12)[C@@H]1CCOC2(CCCCC2)OO1	43617436	KDVODVUCBGJVIO-FQEVSTJZSA-N	324.420	5.251	50	30	DKGC	
C[C@H](Cl)CC[C@H](Cl)[C@@H](Cl)CC[C@@H](Cl)CCl	238429893	AMKBEJYNNQNKGD-JXUBOQSCSA-N	314.511	5.235	50	30	DKGC	
CC(C)(C)c1ccc(NNC(=O)c2ccc(C(C)(C)C)cc2)cc1	4325354	OFDFHFIABNFMJT-UHFFFAOYSA-N	324.468	5.039	50	30	DKGC	
CCCCCCCCCCCCC/C=C/C[C@@H]1CC(=O)OC1=O	111339193	MZDVKESGWJINHY-LGHUBQEGSA-N	322.489	5.724	50	30	DKGC	
CC(=O)c1ccc2c(c1)N(CCCCl)c1ccccc1S2	33506461	LSYMJLKGKFWMLP-UHFFFAOYSA-N	317.841	5.121	50	30	DKGC	
CCCCCCCc1ccc(-c2ccc(C(=O)Cl)cc2)cc1	111401586	WTVDKDFDBJREGM-UHFFFAOYSA-N	314.856	6.246	50	30	DKGC	
CCC[C@H](C)c1ccc(OCC(=O)Cl)c([C@@H](C)CCC)c1	5649301	NGNBDVOYPDDBFK-KBPBESRZSA-N	310.865	5.638	50	30	DKGC	
CCC[C@@H](C)c1ccc(OCC(=O)Cl)c([C@H](C)CCC)c1	5648677	NGNBDVOYPDDBFK-ZIAGYGMSSA-N	310.865	5.638	50	30	DKGC	
C[Si](C)(C)O[Si](C)(C)CC[Si](C)(C)O[Si](C)(C)C	199594896	GBPWMQIFLRPRBH-UHFFFAOYSA-N	322.746	5.100	50	30	DKGC	
CC1(C)C[C@](C)(c2ccccc2)OO[C@@](C)(c2ccccc2)C1	223510560	TVPKHLCRKLUEFA-NHCUHLMSSA-N	310.437	5.585	50	30	DKGC	
CCCC[C@H](Cl)CSSC[C@@H](Cl)CCCC	5821891	OHACEGHLVXOPHO-RYUDHWBXSA-N	303.364	5.963	50	30	DKGC	
C[C@H](Cl)CC[C@H](Cl)[C@H](Cl)CC[C@H](Cl)CCl	100049495	AMKBEJYNNQNKGD-AATLWQCWSA-N	314.511	5.235	50	30	DKGC	
CC(C)(C)CC(C)(C)c1ccc(OCCOCCCl)cc1	5352009	FITQCDWGUKECBJ-UHFFFAOYSA-N	312.881	5.035	50	30	DKGC	
C[C@H](Cl)CC[C@H](Cl)[C@@H](Cl)CC[C@H](Cl)CCl	256075775	AMKBEJYNNQNKGD-XKNYDFJKSA-N	314.511	5.235	50	30	DKGC	
CCCC[C@H](Cl)CSSC[C@H](Cl)CCCC	111420995	OHACEGHLVXOPHO-TXEJJXNPSA-N	303.364	5.963	50	30	DKGC	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2ccc(Cl)cc2)cc1	4344658	DJRAYCMGQLHETO-FOWTUZBSSA-N	323.823	5.427	50	30	DKGC	
ClCC[C@H](Oc1cccc2ccccc12)c1cccs1	38819450	HFXILOQSAVSOQT-INIZCTEOSA-N	302.826	5.650	50	30	DKGC	
ClCCC=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1	111892980	ZCWFINABCDPCBV-UHFFFAOYSA-N	311.639	6.054	50	30	DKGC	
CC(C)(C)OCCCCCCCCCCCBr	2265384745	SVDPKRUNQYZBPK-UHFFFAOYSA-N	307.316	5.707	50	30	DKGC	
CC(C)(C)[Si](N(Cl)Cl)(C(C)(C)C)C(C)(C)CCl	223646844	XRGPIMZRKQNDNB-UHFFFAOYSA-N	318.792	6.161	50	30	DKGC	
CC(C)(C)[Si](C)(C)Oc1ccc(CCBr)cc1	195800065	QLDTWFPECLLJRN-UHFFFAOYSA-N	315.327	5.008	50	30	DKGC	
CCCCCCCCCCCCC/C=C/C[C@H]1CC(=O)OC1=O	111339197	MZDVKESGWJINHY-JJJPLKNQSA-N	322.489	5.724	50	30	DKGC	
CCCCCCCCCCCCOc1ccc(N=C=S)cc1	95762620	BZGDMMAQJCFOTC-UHFFFAOYSA-N	319.514	6.721	50	30	DKGC	
CCCCCCCCCCCCc1ccc(C)c(CCl)c1	111415184	PERGJZRGWNBFEQ-UHFFFAOYSA-N	308.937	7.197	50	30	DKGC	
CC(C)[Si](C(C)C)(C(C)C)n1cc(CCl)c2cccnc21	198020191	FUGOUWIFQWVBOZ-UHFFFAOYSA-N	322.956	5.799	50	30	DKGC	
CCCCCCCCCCCCCCOC(=O)OOC(C)C	141594579	NJJUXHVBEOWMJF-UHFFFAOYSA-N	316.482	6.181	50	30	DKGC	
BrCc1ccc2sc(-c3ccccc3)cc2c1	2265356075	JCBHDJYCNKKJIW-UHFFFAOYSA-N	303.224	5.463	50	30	DKGC	
N#C/C(=C\c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12	68972	VVHFHOXFYJGLMM-KPKJPENVSA-N	313.187	5.539	50	30	DKGC