smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC1=CC(=O)CC(C)(C)[C@]1(O)CC[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238766400	CZYPGTRKJFYXLT-APZCKXRDSA-N	388.457	-0.352	30	30	GBEC	
CCCNC(=O)[C@@H]1O[C@@H]1C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)OC)[C@H](C)CC	256010794	XGWSRLSPWIEMLQ-QMIVOQANSA-N	397.472	-0.025	30	30	GBEC	
CCCNC(=O)[C@@H]1O[C@@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)OC)[C@H](C)CC	256010793	XGWSRLSPWIEMLQ-FQKPHLNHSA-N	397.472	-0.025	30	30	GBEC	
CCCNC(=O)[C@@H]1O[C@@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)OC)[C@@H](C)CC	117679660	XGWSRLSPWIEMLQ-LXFSFDBISA-N	397.472	-0.025	30	30	GBEC	
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C=O)OC(C)=O	31308561	UAOKXEHOENRFMP-JJXSEGSLSA-N	390.341	-0.525	30	30	GBEC	
CON=C(C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(C)CS[C@H]12)c1csc(N)n1	301054842	MQLRYUCJDNBWMV-QPUJVOFHSA-N	397.438	-0.166	30	30	GBEC	
Nc1ncnc2c1c(C#CCNC(=O)C(F)(F)F)cn2[C@@H]1C[C@H](O)[C@H](CO)O1	201079094	SVVZRCQYSUXVDB-DCAQKATOSA-N	399.329	-0.316	30	30	GBEC	
Nc1ncnc2c1c(C#CCNC(=O)C(F)(F)F)cn2[C@@H]1C[C@@H](O)[C@H](CO)O1	201079153	SVVZRCQYSUXVDB-VWYCJHECSA-N	399.329	-0.316	30	30	GBEC	
C[C@H](C(/C=N/NC(N)=S)=N\NC(N)=S)N1C(=O)c2ccccc2C1=O	103660853	OPXFZJLGAZHBMA-OKONTYCJSA-N	377.455	-0.321	30	30	GBEC	
O=C(O)CCOCC#Cc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O	1911936335	HVNLXJHGBVADJO-AWEZNQCLSA-N	384.344	-0.069	30	30	GBEC	
Nc1nc(N/N=C/C2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	3932652	XJFMHMFFBSOEPR-DNZQAUTHSA-N	391.432	-0.002	30	30	GBEC	investigational
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](C#N)OC(C)=O	8648676	INCBLRCTSZYSJE-UGUYLWEFSA-N	387.341	-0.200	30	30	GBEC	
N[C@@H](CS)C(=O)NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12	22052041	FBRCSVAGDWAZCU-ZPFDUUQYSA-N	389.547	-0.798	30	30	GBEC	in-vitro
CC(=O)OC[C@H]1O[C@](F)(C#N)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	95921489	KECVBZMPOOTOSB-GZBLMMOJSA-N	375.305	-0.067	30	30	GBEC	
O=C(O)CCOCC#Cc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O	1911936336	HVNLXJHGBVADJO-CQSZACIVSA-N	384.344	-0.069	30	30	GBEC	
Nc1ncnc2c1nc(N/N=C/c1ccco1)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	8637257	ZXYMWJFGLVDXDC-KKTKZPFDSA-N	375.345	-0.941	30	30	GBEC	
CCCCCCCCCCNCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	103830537	URPLOWLZZQLZGJ-ZJPYXAASSA-N	392.537	-0.341	30	30	GBEC	
[C-]#[N+]C(C(=O)OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)COC(=O)C([N+]#[C-])=C(C)C)=C(C)C	136554703	YEMJVHOPMVQUGS-APYUEPQZSA-N	396.396	-0.057	30	30	GBEC	
CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C)CS[C@@H]12)c1csc(N)n1	301054841	MQLRYUCJDNBWMV-PELKAZGASA-N	397.438	-0.166	30	30	GBEC	
CCCNC(=O)[C@@H]1O[C@@H]1C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)OC)[C@@H](C)CC	5647808	XGWSRLSPWIEMLQ-ZQNQSHIBSA-N	397.472	-0.025	30	30	GBEC	
CON=C(C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(C)CS[C@@H]12)c1csc(N)n1	301054843	MQLRYUCJDNBWMV-UFBFGSQYSA-N	397.438	-0.166	30	30	GBEC	
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C#N)OC(C)=O	8612726	INCBLRCTSZYSJE-JJXSEGSLSA-N	387.341	-0.200	30	30	GBEC	
Nc1ncnc2c1nc(N/N=C/c1cccs1)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	8636784	YUVTUYJOQQZKEH-KKTKZPFDSA-N	391.413	-0.473	30	30	GBEC	
C=CCOc1nc2c(=O)[nH]c(/N=C/N(C)C)nc2n1[C@H]1C[C@H](O)[C@@H](CO)O1	101150989	AWSHMYLTFNJSDF-KJIUFUOESA-N	378.389	-0.454	30	30	GBEC	
N#CCCNCCCNCCCNCCNCCCNCCCNCCC#N	38637958	OLIDNNLFIODMHK-UHFFFAOYSA-N	394.612	-0.088	30	30	GBEC	
CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](C#N)OC(C)=O	8626830	INCBLRCTSZYSJE-FXUDXRNXSA-N	387.341	-0.200	30	30	GBEC	
C=CCOc1nc2c(=O)[nH]c(NC(=O)C(C)C)nc2n1[C@H]1C[C@H](O)[C@@H](CO)O1	43771664	FJNQHICAZNIMSB-HBNTYKKESA-N	393.400	-0.080	30	30	GBEC	
Nc1ncnc2c1c(C#CCNC(=O)C(F)(F)F)cn2[C@@H]1C[C@H](O)[C@@H](CO)O1	642880769	SVVZRCQYSUXVDB-AXFHLTTASA-N	399.329	-0.316	30	30	GBEC	
C=CCOC[C@@H]1O[C@@H](C(OC)OC)[C@H](O)[C@H]1n1cnc2c(O)nc(N)nc21	585138921	WYQBLRCIYSYBSO-OHBODLIOSA-N	381.389	-0.395	30	30	GBEC