smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
N#C/C(=C\c1ccc(-c2ccc3c(c2)CCCN3CCC(=O)NCCCC[C@@H](N)C(=O)O)s1)C(=O)O	2088600165	GSYOBHVBTYDUKY-JENJNIGESA-N	510.616	3.248	50	20	KGGD	
C#CCOC(=O)[C@](C)(COC(=O)CCSSCCC(=O)OCC)COC(=O)C(C)(C)Br	1848350169	XTNBIBLXVICOTM-HXUWFJFHSA-N	541.482	3.154	50	20	KGGD	
N#Cc1ccc(NC(=S)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1Cl	726462123	IPCLECMCZPWUSV-UHFFFAOYSA-N	500.005	3.322	50	20	KGGD	
[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1CCSS1	2332239821	ACYKKXPTHFUNCV-GDLZYMKVSA-N	714.945	3.293	50	20	KGGD	
COC(=O)[C@@H](CSSC[C@H](NC(=O)Oc1ccccc1)C(=O)OC)NC(=O)Oc1ccccc1	1857776319	ZOQGGYSZGNBAOO-HDICACEKSA-N	508.574	3.028	50	20	KGGD	
[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1CCSS1	2332239872	XLYZDAJHECKGMM-HSZRJFAPSA-N	582.786	3.243	50	20	KGGD	
CC(=O)OC[C@H]1O[C@@H](N=P(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	575629088	ZSFLCDHJAUISKK-UNKWROQRSA-N	607.596	3.247	50	20	KGGD	
[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]1CCSS1	2332239873	XLYZDAJHECKGMM-QHCPKHFHSA-N	582.786	3.243	50	20	KGGD	
NNC(=O)c1c(OCc2ccc(Cl)cc2Cl)cccc1C(=O)[C@]1(C(=O)O)CC=CC[C@@H]1C(=O)O	1857777386	KDZYORAQFWKHIJ-CMJOXMDJSA-N	507.326	3.480	50	20	KGGD	
NNC(=O)c1c(OCc2ccc(Cl)cc2Cl)cccc1C(=O)[C@@]1(C(=O)O)CC=CC[C@H]1C(=O)O	1857777388	KDZYORAQFWKHIJ-NPMXOYFQSA-N	507.326	3.480	50	20	KGGD	
COC(=O)[C@H](CSSC[C@H](NC(=O)Oc1ccccc1)C(=O)OC)NC(=O)Oc1ccccc1	1857776320	ZOQGGYSZGNBAOO-ROUUACIJSA-N	508.574	3.028	50	20	KGGD	
NNC(=O)c1c(OCc2ccc(Cl)cc2Cl)cccc1C(=O)[C@@]1(C(=O)O)CC=CC[C@@H]1C(=O)O	1857777387	KDZYORAQFWKHIJ-IQMFZBJNSA-N	507.326	3.480	50	20	KGGD	
C#CCOC(=O)[C@@](C)(COC(=O)CCSSCCC(=O)OCC)COC(=O)C(C)(C)Br	1848350168	XTNBIBLXVICOTM-FQEVSTJZSA-N	541.482	3.154	50	20	KGGD	
OB(O)c1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(B(O)O)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1	1857795630	LUXBICDYWBQUET-UHFFFAOYSA-N	550.192	3.349	50	20	KGGD	
NNC(=O)c1c(OCc2ccc(Cl)cc2Cl)cccc1C(=O)[C@]1(C(=O)O)CC=CC[C@H]1C(=O)O	1857777389	KDZYORAQFWKHIJ-WNSKOXEYSA-N	507.326	3.480	50	20	KGGD	
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NNc4ccccc4Br)cn1c23	642881647	SHPYRTBXWWNHBO-AWEZNQCLSA-N	530.398	3.365	50	20	KGGD	
CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](c3cnc4c(=N)nc[nH]n34)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1	725326954	KFWKVWOVJCAZBY-FUMNGEBKSA-N	509.756	3.294	50	20	KGGD	
C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NNc4ccccc4Br)cn1c23	642881659	SHPYRTBXWWNHBO-CQSZACIVSA-N	530.398	3.365	50	20	KGGD