smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1cccc(/C=C/C(=O)N=[N+]=[N-])c1	135710095	UBLFIHYLNPEQHE-AATRIKPKSA-N	187.202	2.845	70	40	AFIB	
C[C@@H](N)[C@@]12CCC[C@@H]1[C@H]1CC[C@@H]2C1	217348039	ZBDYDVOVTKTDRB-IYKVGLELSA-N	179.307	2.550	70	40	AFIB	
CCCCB1Nc2ccccc2N1	195757242	RCSZCZMEDUHDAV-UHFFFAOYSA-N	174.056	2.812	70	40	AFIB	
CC[C@H](C)N=C=N[C@@H](C)CC	16125373	GULJGLVMSVZIPC-IUCAKERBSA-N	154.257	2.757	70	40	AFIB	
C1B2CC3CC1CC(C2)C3	195812085	HHUARVXJFFRQKU-UHFFFAOYSA-N	134.031	2.541	70	40	AFIB	
C=CC[SiH](CC=C)CC=C	195803289	HKILWKSIMZSWQX-UHFFFAOYSA-N	152.313	2.772	70	40	AFIB	
[N-]=[N+]=NC(=O)Nc1ccccc1F	16941442	WSXDUFZTJDDTNQ-UHFFFAOYSA-N	180.142	2.668	70	40	AFIB	
C[C@H](N)[C@@]12CCC[C@@H]1[C@H]1CC[C@@H]2C1	217347976	ZBDYDVOVTKTDRB-PREPNJAASA-N	179.307	2.550	70	40	AFIB	
CCCC[SiH2]CCCC	195772723	KFDXCXLJBAVJMR-UHFFFAOYSA-N	144.334	2.592	70	40	AFIB	
Fc1cnc(NCC2CCC2)c(F)c1	160370986	CITLXPFPPKSBJP-UHFFFAOYSA-N	198.216	2.572	70	40	AFIB	
Fc1cccc(Cc2ccc[nH]2)c1	217657819	KQHKTWXDTMXSMF-UHFFFAOYSA-N	175.206	2.745	70	40	AFIB	
CC[C@@H](C)N=C=N[C@H](C)CC	16125375	GULJGLVMSVZIPC-RKDXNWHRSA-N	154.257	2.757	70	40	AFIB	
CC(C)(C)N=C=NC1CCCC1	144228964	QKWMFOCPBPULRF-UHFFFAOYSA-N	166.268	2.901	70	40	AFIB	
C=C([C@H](C)CC)[B-](F)(F)F	306833178	PKRXPYJASXOEEM-RXMQYKEDSA-N	150.960	2.975	70	40	AFIB	
CCCCNc1ncc(F)cc1F	160369851	ROMIPTRSIQCIBP-UHFFFAOYSA-N	186.205	2.572	70	40	AFIB	
Cc1cccn1C(C)(C)C	217480859	QPPTZOUZQMBORR-UHFFFAOYSA-N	137.226	2.552	70	40	AFIB	
Fc1nc2c(s1)CCCCCC2	217717752	XEWRLQUEOMGPPS-UHFFFAOYSA-N	185.267	2.941	70	40	AFIB	
COc1ccc(C[B-](F)(F)F)cc1	169917084	ZFMYHCHNDTZSKR-UHFFFAOYSA-N	188.965	2.624	70	40	AFIB	in-vitro
Cc1cccc(Cc2ccc[nH]2)c1	217657716	MNHCFEVTCQXEIU-UHFFFAOYSA-N	171.243	2.914	70	40	AFIB	
CC(C)(C)[Si](Cl)Cl	196654366	NWEBDVDFFMXTEH-UHFFFAOYSA-N	156.108	2.752	70	40	AFIB	
FC1=C[CH-][C]([B-](F)(F)F)C=C1	953063799	UAJFPNSNIVIFPX-UHFFFAOYSA-N	162.902	2.575	70	40	AFIB	
CCCCB(Cl)Cl	170156684	ZVBWAGCLIHFWIH-UHFFFAOYSA-N	138.834	2.752	70	40	AFIB	
C=C(CCC)[B-](F)(F)F	307155931	NCARTAIHDUQCCN-UHFFFAOYSA-N	136.933	2.729	70	40	AFIB	
Fc1nc2c(s1)CCCCC2	217717364	DCSXZGJKVXQFEK-UHFFFAOYSA-N	171.240	2.551	70	40	AFIB	
C[SiH2]C12CC3CC(CC(C3)C1)C2	169993503	AESDPSCOOXPMHW-UHFFFAOYSA-N	180.367	2.592	70	40	AFIB	
FC(F)(F)[C@H]1CC[C@H]2CCO[C@@H]2C1	217652331	KGYQVWICQSMRJJ-BIIVOSGPSA-N	194.196	2.754	70	40	AFIB	
C=C(CC(C)C)[B-](F)(F)F	307523120	DLLTXSJMRBBZNS-UHFFFAOYSA-N	150.960	2.975	70	40	AFIB	
Cc1ccc([Si](C)(C)Cl)cc1	169945494	UTMBOOWVJPCANU-UHFFFAOYSA-N	184.742	2.646	70	40	AFIB	
C[C@H](C#N)CC[Si](C)(C)Cl	198508120	IFDJTXSTYGEZGB-ZETCQYMHSA-N	175.735	2.980	70	40	AFIB	
CCO[SiH](C(C)C)C(C)C	195758871	PVXAEFHZZIVEEJ-UHFFFAOYSA-N	160.333	2.567	70	40	AFIB	
CC[C@H](C)N=C=N[C@H](C)CC	16125378	GULJGLVMSVZIPC-DTORHVGOSA-N	154.257	2.757	70	40	AFIB	
CC(C)CC(=S)OC(C)C	216887312	VKZPBOCVMCIXBL-UHFFFAOYSA-N	160.282	2.785	70	40	AFIB	
CC[SiH](CC)C(C)C	195794785	OAQARESYTGJQSI-UHFFFAOYSA-N	130.307	2.663	70	40	AFIB	
CCOc1ccsc1C(=O)N=[N+]=[N-]	15022795	ILINNFLGANPZTB-UHFFFAOYSA-N	197.219	2.597	70	40	AFIB	
Cc1cc(C)c(C(=O)OC(C)C)s1	218310642	RKJVCTHYPQFQNS-UHFFFAOYSA-N	198.287	2.930	70	40	AFIB	
[N-]=[N+]=NC(=O)/C=C/c1cccs1	33376445	RKEBIPZECWLWHD-ONEGZZNKSA-N	179.204	2.598	70	40	AFIB	
CC(C)[Si](C)(Cl)Cl	195781325	IPIWUBVZCIGHAC-UHFFFAOYSA-N	157.116	2.946	70	40	AFIB	
C=C(C(C)C)[B-](F)(F)F	307536682	PYYMYOPXLQOGTL-UHFFFAOYSA-N	136.933	2.585	70	40	AFIB	
C[C@@H](C#N)CC[Si](C)(C)Cl	198508137	IFDJTXSTYGEZGB-SSDOTTSWSA-N	175.735	2.980	70	40	AFIB	
C[Si](Cl)(Cl)C(Cl)Cl	195763812	XMNYHTVOHRUIEH-UHFFFAOYSA-N	197.952	2.879	70	40	AFIB	
Cc1ccc(/C=C/C(=O)N=[N+]=[N-])cc1	34408413	IFVSVRKWJLKNIT-VOTSOKGWSA-N	187.202	2.845	70	40	AFIB	in-vitro
C1=C(COc2ccccc2)CC1	217792700	ZSICDAYZHWQNPK-UHFFFAOYSA-N	160.216	2.786	70	40	AFIB	
COc1cccc(C[B-](F)(F)F)c1	203427197	ZWWGZUGUSCCQGS-UHFFFAOYSA-N	188.965	2.624	70	40	AFIB	
CCCCN=C=NCCCC	8615098	QAOHUQQBIYCWLD-UHFFFAOYSA-N	154.257	2.761	70	40	AFIB	
Cc1ccoc1C(F)F	217645102	HYOGDRMUXHBGFE-UHFFFAOYSA-N	132.109	2.526	70	40	AFIB	
Fc1cnc(NC2CCCC2)c(F)c1	160368611	KUIMVNYUMLOVLO-UHFFFAOYSA-N	198.216	2.714	70	40	AFIB	
FC(F)(F)[C@@H]1CC[C@H]2CCO[C@@H]2C1	217652248	KGYQVWICQSMRJJ-XLPZGREQSA-N	194.196	2.754	70	40	AFIB	
[N-]=[N+]=NC(=O)c1ccc(Cl)cc1	19872840	BKVXLJAGUKAXTN-UHFFFAOYSA-N	181.582	2.791	70	40	AFIB	
CCCCBCCCC	228973358	FUPLVEAEPUKHAN-UHFFFAOYSA-N	126.052	2.860	70	40	AFIB	
[N-]=[N+]=NC(=O)/C=C/c1cccc(F)c1	96345905	JGZCHXBJDPWQFL-SNAWJCMRSA-N	191.165	2.676	70	40	AFIB	
FC(F)(F)[C@@H]1CC[C@@H]2CCO[C@@H]2C1	217652083	KGYQVWICQSMRJJ-BWZBUEFSSA-N	194.196	2.754	70	40	AFIB	
C=C([C@@H](C)CC)[B-](F)(F)F	306833179	PKRXPYJASXOEEM-YFKPBYRVSA-N	150.960	2.975	70	40	AFIB	
FC(F)(F)[C@H]1CC[C@@H]2CCO[C@@H]2C1	217652177	KGYQVWICQSMRJJ-GJMOJQLCSA-N	194.196	2.754	70	40	AFIB