smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CN1C[C@H](S(=O)(=O)Cl)CC1=O	299805414	MYZUGMYQISZHEI-SCSAIBSYSA-N	197.643	-0.214	70	30	ABIC	
Cn1cc(CS(=O)(=O)F)nn1	757178769	LMRBMOXUUXRGIC-UHFFFAOYSA-N	179.176	-0.386	70	30	ABIC	
Cc1nc(S(=O)(=O)F)n[nH]1	147761539	SPGZRFMUIFPNFS-UHFFFAOYSA-N	165.149	-0.229	70	30	ABIC	
C1C[SiH2]CC2(C1)CNNC2	201161511	OUUBKGDDQMNDDH-UHFFFAOYSA-N	156.305	-0.120	70	30	ABIC	
O[C@H]1CNC[C@H]1Br	118436573	AKSFDQOICNFCSI-DMTCNVIQSA-N	166.018	-0.286	70	30	ABIC	
CN1C[C@@H](S(=O)(=O)Cl)CC1=O	299805413	MYZUGMYQISZHEI-BYPYZUCNSA-N	197.643	-0.214	70	30	ABIC	
O=S(=O)(F)CCOCCO	100532226	PXDRRIFXHAIJIO-UHFFFAOYSA-N	172.177	-0.705	70	30	ABIC	
CC1(CN)CS(=O)(=O)C1	218580831	DWKFFAXRJMPLAV-UHFFFAOYSA-N	149.215	-0.620	70	30	ABIC	
C[C@H](O)CS(=O)(=O)Cl	100470078	XLETZVSHHPTZBK-VKHMYHEASA-N	158.606	-0.064	70	30	ABIC	
CNC[C@@H](C)S(=O)(=O)F	2265385737	LXDHEQJRXNIGFP-SCSAIBSYSA-N	155.194	-0.106	70	30	ABIC	
NCCC[SiH3]	195769922	WWBITQUCWSFVNB-UHFFFAOYSA-N	89.214	-0.881	70	30	ABIC	
CO[SiH2]OC	195764872	YQGOWXYZDLJBFL-UHFFFAOYSA-N	92.170	-0.722	70	30	ABIC	
O[C@@H]1CNC[C@H]1Br	118436570	AKSFDQOICNFCSI-QWWZWVQMSA-N	166.018	-0.286	70	30	ABIC	
O[C@@H]1CNC[C@@H]1Br	118436567	AKSFDQOICNFCSI-IUYQGCFVSA-N	166.018	-0.286	70	30	ABIC	
NCCOCCS(=O)(=O)F	722206349	PCAPWTOWMUTPDR-UHFFFAOYSA-N	171.193	-0.739	70	30	ABIC	
C[C@H](CN)S(=O)(=O)F	713025843	KLASHPJAINFNBC-GSVOUGTGSA-N	141.167	-0.367	70	30	ABIC	
C[C@H](N)CS(=O)(=O)F	757553097	LYMIQNULNZKODI-VKHMYHEASA-N	141.167	-0.367	70	30	ABIC	
O=C1C=C(S(=O)(=O)Cl)C(=O)O1	100560949	MFAWKMHHCNMGLM-UHFFFAOYSA-N	196.567	-0.478	70	30	ABIC	in-vitro
Cn1nncc1S(=O)(=O)Cl	97976186	NMQPUZHSYWZTQU-UHFFFAOYSA-N	181.604	-0.257	70	30	ABIC	in-vitro
C[C@@H](CN)S(=O)(=O)F	713025844	KLASHPJAINFNBC-VKHMYHEASA-N	141.167	-0.367	70	30	ABIC	
O=C1OCC[C@H]1S(=O)(=O)Cl	104550564	OCATZSWNQATOFC-GSVOUGTGSA-N	184.600	-0.130	70	30	ABIC	in-vitro
Cn1ncc(S(=O)(=O)Cl)n1	142098887	UMBLUOCAGHLXNI-UHFFFAOYSA-N	181.604	-0.257	70	30	ABIC	
Cc1ccc([SiH3])cc1	195759659	OASAGXUWNYOMED-UHFFFAOYSA-N	122.243	-0.014	70	30	ABIC	
O=C1OCC[C@@H]1S(=O)(=O)Cl	104550570	OCATZSWNQATOFC-VKHMYHEASA-N	184.600	-0.130	70	30	ABIC	in-vitro
O=S(=O)(F)CS(=O)(=O)F	105115683	DKWGSLVGHONKMY-UHFFFAOYSA-N	180.153	-0.458	70	30	ABIC	
O=S(=O)(Cl)CCn1cnnn1	231795148	ZQGCOASDPPIOQJ-UHFFFAOYSA-N	196.619	-0.758	70	30	ABIC	
COCn1cc(N)nn1	218454368	GQHPEGRGFVYWKA-UHFFFAOYSA-N	128.135	-0.536	70	30	ABIC	
CC(C)(C)O[Cl+3](O)(O)O	5439646	KZLGYVARGAAMJW-UHFFFAOYSA-N	159.589	-0.405	70	30	ABIC	
CNCCCS(=O)(=O)F	757553654	UWLKXMVTVQPEJB-UHFFFAOYSA-N	155.194	-0.105	70	30	ABIC	
O[C@H]1CNC[C@@H]1Br	118436542	AKSFDQOICNFCSI-IMJSIDKUSA-N	166.018	-0.286	70	30	ABIC	
CCO[SiH3]	195767092	CWAFVXWRGIEBPL-UHFFFAOYSA-N	76.171	-0.697	70	30	ABIC	
[SiH3]c1ccccn1	215987021	SIQRHSDBXPLBMI-UHFFFAOYSA-N	109.204	-0.928	70	30	ABIC	
O=S(=O)(Cl)CCn1ccnn1	238543046	KYRMTPYUXXZTJM-UHFFFAOYSA-N	195.631	-0.153	70	30	ABIC	
O=C(O)[C@H]1CCN(S(=O)(=O)F)C1	2265361427	ZWQJWUVTIAWRGN-BYPYZUCNSA-N	197.187	-0.393	70	30	ABIC	
O=C(O)[C@@H]1CCN(S(=O)(=O)F)C1	2265361428	ZWQJWUVTIAWRGN-SCSAIBSYSA-N	197.187	-0.393	70	30	ABIC	
O=S(=O)(Cl)[C@@H]1COC[C@H]1O	584880068	BLZBMRHFQNWBFV-QWWZWVQMSA-N	186.616	-0.685	70	30	ABIC	
CNCCS(=O)(=O)F	719538622	AMCTWFJZIBDRSF-UHFFFAOYSA-N	141.167	-0.495	70	30	ABIC	
C[C@@H](O)CS(=O)(=O)Cl	100470080	XLETZVSHHPTZBK-GSVOUGTGSA-N	158.606	-0.064	70	30	ABIC	
O=C=NCCS(=O)(=O)F	2265381463	IQXQHIWNRGWCLN-UHFFFAOYSA-N	153.134	-0.379	70	30	ABIC	
CNC[C@H](C)S(=O)(=O)F	2265385736	LXDHEQJRXNIGFP-BYPYZUCNSA-N	155.194	-0.106	70	30	ABIC	
O=S(=O)(F)CCCO	238851209	FTKNVFKAXCNTQM-UHFFFAOYSA-N	142.151	-0.332	70	30	ABIC	in-vitro
N#CCCC[SiH](CO)CO	604970856	WPYCKHHZLKHSII-UHFFFAOYSA-N	159.261	-0.420	70	30	ABIC	
C1CN2CCO[SiH](O1)OCC2	195355763	PZRZYNDNPQRQRN-UHFFFAOYSA-N	175.260	-0.917	70	30	ABIC	in-vitro
C[C@@H](N)CS(=O)(=O)F	757553095	LYMIQNULNZKODI-GSVOUGTGSA-N	141.167	-0.367	70	30	ABIC