smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC[C@H]1CCCCN1[C@H](C)C(=O)c1c[nH]c2ccccc12	217473394	KGJRLCFLZQGIOZ-KGLIPLIRSA-N	284.403	4.004	70	50	CIIA	
CC[C@@H]1CCCCN1[C@H](C)C(=O)c1c[nH]c2ccccc12	217473327	KGJRLCFLZQGIOZ-ZIAGYGMSSA-N	284.403	4.004	70	50	CIIA	
Cc1nc(C)c([C@@H](C)NCc2coc3ccccc23)s1	159821196	XDQHDWKQLRLEGO-SNVBAGLBSA-N	286.400	4.357	70	50	CIIA	
Cl[Si](Cl)(Cl)CCCc1ccccc1	196384542	QJOHXSVBLYVERP-UHFFFAOYSA-N	253.632	4.275	70	50	CIIA	
Cl[Si](Cl)(Cl)CC[Si](Cl)(Cl)Cl	169875840	WDVUXWDZTPZIIE-UHFFFAOYSA-N	296.944	4.297	70	50	CIIA	
Cl[Si](Cl)(Cl)c1ccc(-c2ccccc2)cc1	195755301	DHCRMIWRXITVBB-UHFFFAOYSA-N	287.649	4.216	70	50	CIIA	
CCCCCCCCCCCCS(=O)(=O)Cl	100024574	PBULHKIPTBIZHO-UHFFFAOYSA-N	268.850	4.476	70	50	CIIA	
CC1(C)CCCN(C(=O)CC/C=C/c2ccccc2)C1	159996817	ZFHWUACENUJQJG-IZZDOVSWSA-N	271.404	4.129	70	50	CIIA	
O=[N+]([O-])c1ccc2c(c1)c1ccccc1n2CCCCl	137262520	CJLTVLFIGMLQIZ-UHFFFAOYSA-N	288.734	4.332	70	50	CIIA	
F[B-](F)(F)c1cccc2c1Sc1ccccc1S2	170174970	STWYMBDFDDQFJC-UHFFFAOYSA-N	283.128	4.357	70	50	CIIA	
CC(F)(F)c1ccc(Cl)c(Br)c1	218208054	LNGBNHWSNBHJFE-UHFFFAOYSA-N	255.489	4.214	70	50	CIIA	
Cl[Si](Cl)(Cl)CC[C@H]1C[C@H]2C=C[C@H]1C2	247720755	ALVNNCNXYMELRG-CIUDSAMLSA-N	255.648	4.244	70	50	CIIA	
C[Si](C)(C)[Si](Cl)([Si](C)(C)C)[Si](C)(C)C	169876447	HCOROOJWVHFMRJ-UHFFFAOYSA-N	283.112	4.421	70	50	CIIA	in-vitro
F[B-](F)(F)c1cccc2c1sc1ccccc12	170167251	VCOIHXAGYJVPDZ-UHFFFAOYSA-N	251.061	4.109	70	50	CIIA	
c1ccc(CCC[SiH2]CCCc2ccccc2)cc1	169818244	PHGRKAMVHIWHJL-UHFFFAOYSA-N	268.476	4.257	70	50	CIIA	
F[B-](F)(F)/C=C(\Br)CCCCCl	200976630	RWICTDFPASEPDP-WAYWQWQTSA-N	264.301	4.061	70	50	CIIA	
COc1ccc(-c2coc3ccc(OCC(C)=O)cc23)cc1	217645127	IHVZEQOOYNFNEQ-UHFFFAOYSA-N	296.322	4.076	70	50	CIIA	biogenic
CC1(C)c2ccccc2-c2ccc([B-](F)(F)F)cc21	169975041	LLFNLMWVUBWZFQ-UHFFFAOYSA-N	261.075	4.047	70	50	CIIA	
C[Si](Cl)(Cl)CC[Si](C)(Cl)Cl	169876528	VFURVLVRHAMJKG-UHFFFAOYSA-N	256.108	4.086	70	50	CIIA	
CC(C)(C)OC(=O)c1cccc(OCc2ccccc2)c1	216850036	NRYBESIBGWDWHK-UHFFFAOYSA-N	284.355	4.221	70	50	CIIA	
O=S(=O)(Cl)c1ccc(/N=N/c2ccccc2)cc1	100320264	UEAZPVORQYDKHZ-CCEZHUSRSA-N	280.736	4.030	70	50	CIIA	
CC(C)S[SiH](SC(C)C)SC(C)C	195787784	BCQFIRARHXNLPR-UHFFFAOYSA-N	254.562	4.128	70	50	CIIA	
O=S(=O)(F)c1cccc(S(F)(F)(F)(F)F)c1	238855226	QVCTZHHZBANYLX-UHFFFAOYSA-N	286.218	4.002	70	50	CIIA	
CCCCCO[SiH](OCCCCC)OCCCCC	169811104	XJXSSNSCWGKDOW-UHFFFAOYSA-N	290.520	4.324	70	50	CIIA	
Cc1nc(C)c([C@H](C)NCc2coc3ccccc23)s1	159821319	XDQHDWKQLRLEGO-JTQLQIEISA-N	286.400	4.357	70	50	CIIA	
CC(C)(C)[Si](F)(c1ccc(C=O)cc1)C(C)(C)C	217905488	DJVUUNAPIIORNL-UHFFFAOYSA-N	266.432	4.221	70	50	CIIA	
c1ccc2c(c1)CCC[C@@H]2Sc1ccc2nccnc2n1	160444299	GRJGSCJZLDNGLA-HNNXBMFYSA-N	293.395	4.195	70	50	CIIA	
CN(C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1	217304209	VWFUEDVZIFTNQX-UHFFFAOYSA-N	294.276	4.374	70	50	CIIA	
O=C(OCCCc1ccncc1)c1csc2ccccc12	218501937	KRNSDDZIPQGBQD-UHFFFAOYSA-N	297.379	4.086	70	50	CIIA	
c1ccc2c(c1)CCC[C@H]2Sc1ccc2nccnc2n1	160444428	GRJGSCJZLDNGLA-OAHLLOKOSA-N	293.395	4.195	70	50	CIIA	
CCC[B-]1(CCC)N=C(C)Nc2sc3ccccc3[n+]21	195752780	WJVYNTSZWCGERU-UHFFFAOYSA-N	287.241	4.143	70	50	CIIA	
CC(C)(C(=O)Nc1ccc(-c2cnco2)cc1)C1CCCC1	160283485	VDSXRUZZUZBQLR-UHFFFAOYSA-N	298.386	4.497	70	50	CIIA	
COc1ccc(NC(=O)c2ccc(Cl)cc2C)c(C)c1	161257238	VPXVUJRSCUUJEO-UHFFFAOYSA-N	289.762	4.218	70	50	CIIA	
Cc1ccc2c(C(=O)[C@@H](C)N3CCC[C@@H](C)C3)c(C)[nH]c2c1	217462293	RWSKYXGTZCYANP-UKRRQHHQSA-N	298.430	4.088	70	50	CIIA	
O=S(=O)(F)c1ccc(S(F)(F)(F)(F)F)cc1	675066473	KOVXUPYNRMTBSS-UHFFFAOYSA-N	286.218	4.002	70	50	CIIA	
Cl[Si](Cl)(Cl)CC[C@@H]1C[C@H]2C=C[C@H]1C2	247720760	ALVNNCNXYMELRG-XHNCKOQMSA-N	255.648	4.244	70	50	CIIA