smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
[N-]=[N+]=NC(=O)c1ccccc1	15784780	PJHUABJTDFXYRQ-UHFFFAOYSA-N	147.137	2.137	70	50	AEIA	
F[B-](F)(F)C1CCOCC1	169986649	NHBZSSNPFMWDSO-UHFFFAOYSA-N	152.932	2.014	70	50	AEIA	in-vitro
CC(=O)c1sccc1[B-](F)(F)F	170174973	QJUIMLBFSLQZTD-UHFFFAOYSA-N	192.978	2.005	70	50	AEIA	
Cc1cc(S(=O)(=O)F)c(C)s1	606268201	WNEQGQDTIJYZEA-UHFFFAOYSA-N	194.252	2.023	70	50	AEIA	
CC[Si](C)(C)Cl	169743161	AVDUEHWPPXIAEB-UHFFFAOYSA-N	122.671	2.450	70	50	AEIA	in-vitro
N#CCCC[B-](F)(F)F	575442680	CZIWAANGFIQSAK-UHFFFAOYSA-N	135.905	2.138	70	50	AEIA	
C=C(CN1CCCC1)[B-](F)(F)F	169956739	WRCSFXBJJSOIQP-UHFFFAOYSA-N	177.986	2.025	70	50	AEIA	in-vitro
F[B-](F)(F)C#Cc1ccccc1	169956769	UPMSMRKBTXPGPF-UHFFFAOYSA-N	168.934	2.425	70	50	AEIA	in-vitro
Cc1cc([B-](F)(F)F)c(C)s1	169747213	BUCHFTWFRKWQMZ-UHFFFAOYSA-N	178.995	2.419	70	50	AEIA	
CC[SiH](CC)CC	169743096	AQRLNPVMDITEJU-UHFFFAOYSA-N	116.280	2.273	70	50	AEIA	in-vitro
COc1ccc([B-](F)(F)F)c(C)c1	169746106	NKJKBZBHIVBTHT-UHFFFAOYSA-N	188.965	2.058	70	50	AEIA	in-vitro
F[B-](F)(F)[C@@H]1CC1(F)F	958529351	KDNPPCLOFAQCGI-UWTATZPHSA-N	144.859	2.243	70	50	AEIA	
CC(C)=C[B-](F)(F)F	170160017	FIKWMUMHSAPAEJ-UHFFFAOYSA-N	122.906	2.339	70	50	AEIA	
Cn1c([B-](F)(F)F)cc2ccccc21	390824795	QNBOHFPDAYXLCC-UHFFFAOYSA-N	197.976	2.233	70	50	AEIA	
CCc1ccc([B-](F)(F)F)cc1	203318485	QZDKMAWKHJTTNB-UHFFFAOYSA-N	172.966	2.303	70	50	AEIA	in-vitro
C[Si](Cl)(Cl)CCl	169743158	JAYBZWYBCUJLNQ-UHFFFAOYSA-N	163.507	2.314	70	50	AEIA	
Fc1cc([B-](F)(F)F)cc(F)c1F	195965654	CGAWTXHYVXTVKP-UHFFFAOYSA-N	198.882	2.158	70	50	AEIA	
CCCc1c(O)cccc1C(=O)OC	218074039	DKZHMOCSQOLTEC-UHFFFAOYSA-N	194.230	2.131	70	50	AEIA	
F[B-](F)(F)CCO[C@H]1CCCCO1	208327459	YAAOQIMYBBLOJL-ZETCQYMHSA-N	196.985	2.377	70	50	AEIA	
C=Cc1cccc([B-](F)(F)F)c1	170175005	UJNSOPXNVRFPRZ-UHFFFAOYSA-N	170.950	2.384	70	50	AEIA	
Cc1ccc([B-](F)(F)F)cc1F	203318506	WUDQDVARJYGGBL-UHFFFAOYSA-N	176.929	2.189	70	50	AEIA	
Cc1cc(C)n([C@H]2CCCCO2)n1	217406706	YWAVFDMTWPVVHO-SNVBAGLBSA-N	180.251	2.199	70	50	AEIA	
F[B-](F)(F)CNC1CCCCC1	169747091	LSTUKGQEJAXOMF-UHFFFAOYSA-N	180.002	2.295	70	50	AEIA	in-vitro
Fc1cccc(F)c1[B-](F)(F)F	169877081	LDROKYGQTXEVQV-UHFFFAOYSA-N	180.892	2.019	70	50	AEIA	in-vitro
F[B-](F)(F)c1ccc2cnccc2c1	169747731	IYHMDPXPDCTIBY-UHFFFAOYSA-N	195.960	2.289	70	50	AEIA	
C[SiH](C)C#CC(C)(C)C	207726349	OEGUWEPWVIETEF-UHFFFAOYSA-N	140.302	2.062	70	50	AEIA	
F[B-](F)(F)[C@H]1CC1(F)F	958529350	KDNPPCLOFAQCGI-REOHCLBHSA-N	144.859	2.243	70	50	AEIA	
[BH2-]1C2CCCC1CCC2	170154312	DTZVCTCTFFRWKY-UHFFFAOYSA-N	123.028	2.100	70	50	AEIA	
C[Si](C)(C)Br	169743065	IYYIVELXUANFED-UHFFFAOYSA-N	153.095	2.216	70	50	AEIA	
CCc1ccccc1[B-](F)(F)F	203324982	IFQBTNBBLZORRK-UHFFFAOYSA-N	172.966	2.303	70	50	AEIA	
CCOc1cccc([B-](F)(F)F)c1	203317121	CKNGJXFUFVZEJL-UHFFFAOYSA-N	188.965	2.140	70	50	AEIA	in-vitro
F[B-](F)(F)c1cccc(Cl)c1	169746127	OKRSHYDJLPWRIA-UHFFFAOYSA-N	179.357	2.394	70	50	AEIA	in-vitro
F[B-](F)(F)c1ccc2[nH]ccc2c1	170167247	DTKSICUEMLTQRS-UHFFFAOYSA-N	183.949	2.222	70	50	AEIA	
C[C@@H](c1ccccc1)S(=O)(=O)F	146521258	YUHQONKVKQCZRU-ZETCQYMHSA-N	188.223	2.047	70	50	AEIA	
F[B-](F)(F)C1CCC1	169948587	STLRLCFWONWIJY-UHFFFAOYSA-N	122.906	2.388	70	50	AEIA	in-vitro
F[B-](F)(F)CCO[C@@H]1CCCCO1	208327420	YAAOQIMYBBLOJL-SSDOTTSWSA-N	196.985	2.377	70	50	AEIA	
CC1(CS(=O)(=O)Cl)CCCC1	156931353	MATHPNGWMIRIFJ-UHFFFAOYSA-N	196.699	2.135	70	50	AEIA	
F[B-](F)(F)CNCc1ccccc1	198026211	SPZXEEKRTRSCRS-UHFFFAOYSA-N	187.981	2.163	70	50	AEIA	
Cc1cccc([B-](F)(F)F)c1	169746124	GYUZPPWNWNKGSJ-UHFFFAOYSA-N	158.939	2.049	70	50	AEIA	in-vitro
F[B-](F)(F)c1cc2ccccc2o1	169956782	VMQGCZURFZJJAF-UHFFFAOYSA-N	184.933	2.487	70	50	AEIA	in-vitro
CSc1ccccc1[B-](F)(F)F	169746154	HHUFCOLCURXDCU-UHFFFAOYSA-N	191.006	2.463	70	50	AEIA	in-vitro
Cc1ccc([B-](F)(F)F)cc1	169807446	MCOWJKSIGLBIFF-UHFFFAOYSA-N	158.939	2.049	70	50	AEIA	in-vitro
C=Cc1ccc([SiH](C)C)cc1	205414690	LAGQCXVIXQYJHO-UHFFFAOYSA-N	162.308	2.023	70	50	AEIA	
F[B-](F)(F)c1ccc2ncccc2c1	170167148	MOIPUPBVIXRHTL-UHFFFAOYSA-N	195.960	2.289	70	50	AEIA	
F[B-](F)(F)c1cncc2ccccc12	169743770	CWUYEQPJLXCLAQ-UHFFFAOYSA-N	195.960	2.289	70	50	AEIA	in-vitro
C/C=C(\C)[B-](F)(F)F	169806159	DAUAHSLBTCXOSB-ONEGZZNKSA-N	122.906	2.339	70	50	AEIA	
OC1=C[CH-][C]([B-](F)(F)F)C=C1	514250961	BEAAZYZJUUWRQJ-UHFFFAOYSA-N	160.911	2.163	70	50	AEIA	
O=S(=O)(F)CCC1CCCCC1	675066961	SIZAVGXXFVJSHV-UHFFFAOYSA-N	194.271	2.256	70	50	AEIA	
C[Si](Cl)(Cl)c1ccccc1	169743024	GNEPOXWQWFSSOU-UHFFFAOYSA-N	191.133	2.443	70	50	AEIA	in-vitro
C=C(C)C[B-](F)(F)F	211113604	YYWMDANNKQTEOL-UHFFFAOYSA-N	122.906	2.410	70	50	AEIA	
Cc1cccc(C)c1[B-](F)(F)F	170174166	KGODUBOUDWQCGI-UHFFFAOYSA-N	172.966	2.358	70	50	AEIA	in-vitro
F[B-](F)(F)c1cccc2cccnc12	169747100	BHQIBSADFMUWBU-UHFFFAOYSA-N	195.960	2.289	70	50	AEIA	
C=C[Si](C)(C)Cl	169743182	XSDCTSITJJJDPY-UHFFFAOYSA-N	120.655	2.156	70	50	AEIA	in-vitro
C[Si](C)(Cl)Cl	169743010	LIKFHECYJZWXFJ-UHFFFAOYSA-N	129.062	2.166	70	50	AEIA	
C[SiH](C)C#Cc1ccccc1	170155160	JPQVPTPDZWZPQT-UHFFFAOYSA-N	160.292	2.064	70	50	AEIA	
Cc1ccccc1[B-](F)(F)F	169746141	KIBCSSROSOYPJU-UHFFFAOYSA-N	158.939	2.049	70	50	AEIA	in-vitro
ClC[Si](Cl)(Cl)CCl	169909588	UZSFHKMDONVENX-UHFFFAOYSA-N	197.952	2.462	70	50	AEIA	in-vitro
CC[BH-](CC)CC	169743078	UZEVVLMPUHZSOZ-UHFFFAOYSA-N	99.006	2.273	70	50	AEIA	
Cc1cc(C)n([C@@H]2CCCCO2)n1	217406627	YWAVFDMTWPVVHO-JTQLQIEISA-N	180.251	2.199	70	50	AEIA	
FC(F)=C(F)[B-](F)(F)F	196002675	OOHMVUCJHJYQCJ-UHFFFAOYSA-N	148.822	2.451	70	50	AEIA	
F[B-](F)(F)NCc1ccccc1	169745682	SIYIODPRYAJNDI-UHFFFAOYSA-N	173.954	2.120	70	50	AEIA	
O=S(=O)(F)/C=C/c1cccs1	958719554	PIAAYSCPDYWORX-HWKANZROSA-N	192.236	2.018	70	50	AEIA	
C=C[Si](Cl)(C=C)C=C	195765846	NNKJLYMBVRDUEI-UHFFFAOYSA-N	144.677	2.346	70	50	AEIA	
F[B-](F)(F)c1ccc2cc[nH]c2c1	169808428	LABGDRGNQBEJIF-UHFFFAOYSA-N	183.949	2.222	70	50	AEIA	
ClB1c2ccccc2-c2ccccc21	195941711	CWLYMXHRDXEBBF-UHFFFAOYSA-N	198.461	2.012	70	50	AEIA	
C[Si]1(Cl)CCC1	169876470	JWKKXHBGWAQZOK-UHFFFAOYSA-N	120.655	2.204	70	50	AEIA	
C[Si](C)(Cl)CCCN=C=O	195766925	LQJWIXKJNVDYHH-UHFFFAOYSA-N	177.707	2.156	70	50	AEIA	
Cc1ccsc1[B-](F)(F)F	211428465	DOLWAOPVQJFPLU-UHFFFAOYSA-N	164.968	2.111	70	50	AEIA	
Cc1csc([B-](F)(F)F)c1	197150885	OPVAEHWNUVLHIL-UHFFFAOYSA-N	164.968	2.111	70	50	AEIA	in-vitro
C[Si](Cl)(Cl)Cl	169743013	JLUFWMXJHAVVNN-UHFFFAOYSA-N	149.480	2.272	70	50	AEIA	in-vitro
B[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C	170156641	ZFWNFCSCXODQSL-KZVJFYERSA-N	150.074	2.110	70	50	AEIA	
CCCCCCS(=O)(=O)Cl	95698067	AEHJDQSLTMFLQO-UHFFFAOYSA-N	184.688	2.135	70	50	AEIA	
CSc1ccc([B-](F)(F)F)cc1	169877314	OPOPIZAXJHXUDD-UHFFFAOYSA-N	191.006	2.463	70	50	AEIA	in-vitro
Cl[Si]1(Cl)CCC1	170157422	PASYEMKYRSIVTP-UHFFFAOYSA-N	141.073	2.310	70	50	AEIA	
CC(C)[B-](F)(F)F	169747393	RNAAIHSIDFCVQM-UHFFFAOYSA-N	110.895	2.244	70	50	AEIA	in-vitro
B1C2CCCC1CCC2	169743044	FEJUGLKDZJDVFY-UHFFFAOYSA-N	122.020	2.368	70	50	AEIA	
Cc1ccc([C@@H]2OC(=O)CS2)cc1	216694632	RBGQLDUMNFYWCE-SNVBAGLBSA-N	194.255	2.284	70	50	AEIA	
ClC[Si](Cl)(Cl)Cl	169746960	FYTPGBJPTDQJCG-UHFFFAOYSA-N	183.925	2.420	70	50	AEIA	
Cc1nc2c(F)cccc2cc1O	216767894	SKPNZHYBYBQBNO-UHFFFAOYSA-N	177.178	2.388	70	50	AEIA	
CCC[B-](F)(F)F	169806074	UHUCOXBNSICWFZ-UHFFFAOYSA-N	110.895	2.244	70	50	AEIA	in-vitro
C=CCC[B-](F)(F)F	170176897	JJJLHRNOIJPOMY-UHFFFAOYSA-N	122.906	2.410	70	50	AEIA	in-vitro
F[B-](F)(F)/C=C/CBr	170174303	BPCHVHZMXGKPBZ-OWOJBTEDSA-N	187.775	2.324	70	50	AEIA	
C=C[Si](C)(Cl)c1ccccc1	170159296	GSXJAPJSIVGONK-UHFFFAOYSA-N	182.726	2.433	70	50	AEIA	in-vitro
C[Si](C)(C)C#C[B-](F)(F)F	195858225	AOTIZUVHPUJTTK-UHFFFAOYSA-N	165.019	2.254	70	50	AEIA	in-vitro
C[Si](Cl)(Cl)CCC#N	169810793	PXKPPXIGPAIWDZ-UHFFFAOYSA-N	168.099	2.450	70	50	AEIA	
Cl[Si](Cl)(Cl)Cl	242473244	FDNAPBUWERUEDA-UHFFFAOYSA-N	169.898	2.377	70	50	AEIA	in-vitro
F[B-](F)(F)CC1CC1	169948558	DXIUKNRZOPLVEK-UHFFFAOYSA-N	122.906	2.244	70	50	AEIA	in-vitro
C[SiH](C)[Si](C)(C)c1ccccc1	169818192	SQIHAZBMRHNKQF-UHFFFAOYSA-N	194.426	2.167	70	50	AEIA	
F[B-](F)(F)CC(F)(F)F	220759171	WQAJZRMTGQYTEK-UHFFFAOYSA-N	150.838	2.396	70	50	AEIA	in-vitro
C=CC[B-](F)(F)F	169806156	DQWVAAWANRXNEG-UHFFFAOYSA-N	108.879	2.020	70	50	AEIA	in-vitro
C[Si](C)(Cl)CBr	170154318	CAURZYXCQQWBJO-UHFFFAOYSA-N	187.540	2.364	70	50	AEIA	in-vitro
CC(C)[SiH](c1ccccn1)C(C)C	170167374	XPUAXJBYLPPFKA-UHFFFAOYSA-N	193.366	2.336	70	50	AEIA	
CCO[Si](Cl)(Cl)Cl	170157275	SELBPKHVKHQTIB-UHFFFAOYSA-N	179.506	2.175	70	50	AEIA	
F[B-](F)(F)COc1ccccc1	169746159	AJFZQGAXLVRPMG-UHFFFAOYSA-N	174.938	2.452	70	50	AEIA	
C=CCCCC(=O)[B-](F)(F)F	1501018171	AUSFYWRTHFEQOU-UHFFFAOYSA-N	164.943	2.298	70	50	AEIA	
F[B-](F)(F)C12CC(C1)C2	958529697	VLZXFAQHVXHJTF-UHFFFAOYSA-N	134.917	2.388	70	50	AEIA	
[N-]=[N+]=NC(=O)c1ccc(Cl)nc1	238589946	NOMJNLZHEWJLEA-UHFFFAOYSA-N	182.570	2.186	70	50	AEIA	
C=C[Si@](C)(Cl)c1ccccc1	1857524517	GSXJAPJSIVGONK-NSHDSACASA-N	182.726	2.433	70	50	AEIA	
C=Cc1ccc([B-](F)(F)F)cc1	169794531	YHSQZEQKPQMOII-UHFFFAOYSA-N	170.950	2.384	70	50	AEIA	
C=C[Si@@](C)(Cl)c1ccccc1	1857524516	GSXJAPJSIVGONK-LLVKDONJSA-N	182.726	2.433	70	50	AEIA	
Cc1ccc([B-](F)(F)F)s1	170162705	KMPHKROWCRUFIU-UHFFFAOYSA-N	164.968	2.111	70	50	AEIA	
C=C[Si](Cl)(Cl)Cl	169743028	GQIUQDDJKHLHTB-UHFFFAOYSA-N	161.491	2.367	70	50	AEIA	in-vitro
C=C(CN1CCCCC1)[B-](F)(F)F	199631423	HHYWYKDSXKDAGH-UHFFFAOYSA-N	192.013	2.415	70	50	AEIA	in-vitro
CC1CCN(C[B-](F)(F)F)CC1	203440687	ICGFYQHRTFTMIU-UHFFFAOYSA-N	180.002	2.105	70	50	AEIA	
F[B-](F)(F)COC1CCCC1	198004238	KWQNTBROLSMTBL-UHFFFAOYSA-N	166.959	2.332	70	50	AEIA	in-vitro
O=S(=O)(Cl)CC1CCCCC1	100006633	BNZZPMGQCWZOPS-UHFFFAOYSA-N	196.699	2.135	70	50	AEIA	in-vitro
Cc1cccc([B-](F)(F)F)c1C	169965499	OJQZOWQGMJMETI-UHFFFAOYSA-N	172.966	2.358	70	50	AEIA	
C[SiH](C)Cc1ccccc1	169746874	USQQZWZBVGCDBX-UHFFFAOYSA-N	150.297	2.255	70	50	AEIA	
C[Si](C)(F)CCCC#N	238457364	RZHGQUVEZKATLV-UHFFFAOYSA-N	145.253	2.465	70	50	AEIA	
Cc1ccc([C@H]2OC(=O)CS2)cc1	216694677	RBGQLDUMNFYWCE-JTQLQIEISA-N	194.255	2.284	70	50	AEIA	
Oc1cc(Cl)cc([B-](F)(F)F)c1	170010003	MXOPRFQYBBHPJU-UHFFFAOYSA-N	195.356	2.100	70	50	AEIA	
CCOc1ccc([B-](F)(F)F)cc1	169746108	CJVUOCCEMNQEKU-UHFFFAOYSA-N	188.965	2.140	70	50	AEIA	in-vitro
C[Si](C)(Cl)CCl	169743518	ITKVLPYNJQOCPW-UHFFFAOYSA-N	143.089	2.208	70	50	AEIA	in-vitro
C[Si](C)(C)Cl	169743009	IJOOHPMOJXWVHK-UHFFFAOYSA-N	108.644	2.060	70	50	AEIA	in-vitro
F[B-](F)(F)c1ccccc1Cl	169746142	ZPLMZRLMHPAZIC-UHFFFAOYSA-N	179.357	2.394	70	50	AEIA	in-vitro
Fc1ccc([B-](F)(F)F)c(F)c1	169746101	AUXLTAYXEHXYAU-UHFFFAOYSA-N	180.892	2.019	70	50	AEIA	
F[B-](F)(F)C[C@H]1CCCCO1	208327308	WDRHNFQSYXGLLO-ZCFIWIBFSA-N	166.959	2.403	70	50	AEIA	in-vitro
CC(=O)c1ccc(C(=O)N=[N+]=[N-])cc1	35394209	QDRBKSQUXYMRTG-UHFFFAOYSA-N	189.174	2.340	70	50	AEIA	
C=C[Si](C)(Cl)Cl	169743029	YLJJAVFOBDSYAN-UHFFFAOYSA-N	141.073	2.261	70	50	AEIA	
C[Si](C)(Cl)c1ccccc1	169743030	KWYZNESIGBQHJK-UHFFFAOYSA-N	170.715	2.338	70	50	AEIA	in-vitro
F[B-](F)(F)c1ccc(Cl)cc1	169746062	OAZJDJPRRBONSQ-UHFFFAOYSA-N	179.357	2.394	70	50	AEIA	in-vitro
O=C(Cc1ccccc1)[B-](F)(F)F	169794816	WGHBPOMFLYLYPI-UHFFFAOYSA-N	186.949	2.185	70	50	AEIA	
C[C@H](c1ccccc1)S(=O)(=O)F	146521448	YUHQONKVKQCZRU-SSDOTTSWSA-N	188.223	2.047	70	50	AEIA	
F[B-](F)(F)c1ccc(Cl)s1	170164492	WSUZLMHJHNUNQV-UHFFFAOYSA-N	185.386	2.456	70	50	AEIA	
Cc1ccc([B-](F)(F)F)c(C)c1	169747904	ADYJOTQRXWFTFR-UHFFFAOYSA-N	172.966	2.358	70	50	AEIA	in-vitro
Fc1cc(F)cc([B-](F)(F)F)c1	169746035	RLRUBKPJKUNMFS-UHFFFAOYSA-N	180.892	2.019	70	50	AEIA	in-vitro
F[B-](F)(F)C[C@@H]1CCCCO1	208327269	WDRHNFQSYXGLLO-LURJTMIESA-N	166.959	2.403	70	50	AEIA	in-vitro
C[SiH](C)C(C)(C)C	169743649	QCIWZIYBBNEPKB-UHFFFAOYSA-N	116.280	2.273	70	50	AEIA	in-vitro
CSc1cccc([B-](F)(F)F)c1	169746135	URLZOLXOPMEOCY-UHFFFAOYSA-N	191.006	2.463	70	50	AEIA	in-vitro
CC(C)(C)OC[B-](F)(F)F	169743577	KCIIGUVUAQHRKK-UHFFFAOYSA-N	154.948	2.188	70	50	AEIA	in-vitro
Fc1ccc([B-](F)(F)F)cc1F	169936914	WKUCULQSYXOEIY-UHFFFAOYSA-N	180.892	2.019	70	50	AEIA	in-vitro
c1ccc([SiH]2CCCCC2)cc1	169817669	OJSIFXVZIBTTNK-UHFFFAOYSA-N	176.335	2.305	70	50	AEIA