smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(=O)N[C@@H](CC#N)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O	12366756	YTYBFPBSDJZSHN-YLFCFFPRSA-N	400.384	-0.237	30	30	HBEC	
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCNC(=N)N	3777328	KAGLWQUWUNBAOO-KSZLIROESA-N	416.526	-0.245	30	30	HBEC	investigational
Cc1c(CC(=O)ON2C(=O)C[C@H](S(=O)(=O)O)C2=O)c(=O)oc2cc(N)ccc12	2555351	PBHOMWKFPPDJAB-LBPRGKRZSA-N	410.360	-0.300	30	30	HBEC	
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(/N=C/N(C)C)nc(NC(=O)C(C)C)nc21	95908364	DAFDBULCVDRJPA-OAJYMMENSA-N	421.458	-0.092	30	30	HBEC	in-vitro
CC(=O)N[C@H]1/C(=N\OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	100053062	PMNZTSIWBRXCQW-HFOXSZHISA-N	402.356	-0.807	30	30	HBEC	
O=C(CCCCCCCN1C(=O)C=CC1=O)ON1C(=O)C[C@H](S(=O)(=O)O)C1=O	100130796	PJAUWIPDQNYXOT-NSHDSACASA-N	416.408	-0.275	30	30	HBEC	
O=C(CCCCCCCN1C(=O)C=CC1=O)ON1C(=O)C[C@@H](S(=O)(=O)O)C1=O	100130799	PJAUWIPDQNYXOT-LLVKDONJSA-N	416.408	-0.275	30	30	HBEC	
C[C@]1(O)c2cccc(O)c2C(=O)C2=C(O)[C@@]3(O)C(=O)C(C(N)=O)=C(O)[C@H](N)[C@H]3C[C@H]21	575627239	MIDVVUVOZKIQOK-QVBHMDLFSA-N	416.386	-0.817	30	30	HBEC	in-vitro
COCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\O)c3csc(N)n3)[C@H]2SC1	3926191	HOGISBSFFHDTRM-GHXIOONMSA-N	413.437	-0.711	30	30	HBEC	in-man
C[C@@H]1OC(=O)C2=C1CS[C@@H]([C@H](NC(=O)/C(=N\O)c1csc(N)n1)C(=O)O)N2	103530385	DKFLDACXFQGVEO-NVFYSWBKSA-N	413.437	-0.665	30	30	HBEC	in-vitro
Cc1ccc(S(=O)(=O)O[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2n2cnc3c(N)ncnc32)cc1	13546420	WFCZRERILRQGRG-LSCFUAHRSA-N	421.435	-0.258	30	30	HBEC	
C[C@@]1(O)c2cccc(O)c2C(=O)C2=C(O)[C@@]3(O)C(=O)C(C(N)=O)=C(O)[C@H](N)[C@H]3C[C@H]21	575627238	MIDVVUVOZKIQOK-AZDSMMDCSA-N	416.386	-0.817	30	30	HBEC	in-vitro
O=S(=O)(O)O/C(CCc1ccccc1)=N/S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	138245388	HSFYJQPAPJJFBZ-MFIRQCQASA-N	423.465	-0.715	30	30	HBEC	
C[C@@H]1OC(=O)C2=C1CS[C@@H]([C@@H](NC(=O)/C(=N\O)c1csc(N)n1)C(=O)O)N2	575190013	DKFLDACXFQGVEO-CHQKUEQCSA-N	413.437	-0.665	30	30	HBEC	in-vitro
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(=O)[C@@H]1CCCN1CC	223506504	VMOFKPCYFCQRSB-AJNGGQMLSA-N	411.551	-0.975	30	30	HBEC	
CN(C)/C=N/c1nc2c(nc(Br)n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1	100256638	ZSILXQZBZDBZNX-YEKXCLRCSA-N	401.221	-0.256	30	30	HBEC	
C[C@@H]1OC(=O)C2=C1CS[C@H]([C@H](NC(=O)/C(=N\O)c1csc(N)n1)C(=O)O)N2	103530395	DKFLDACXFQGVEO-NFCNWAECSA-N	413.437	-0.665	30	30	HBEC	in-vitro
CC(=O)N[C@H](CC#N)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O	12366757	YTYBFPBSDJZSHN-QBPKDAKJSA-N	400.384	-0.237	30	30	HBEC	
CC(=O)N[C@@]1(C#N)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	95921514	MNXVEXOOAQIMJY-HMDCTGQHSA-N	414.367	-0.901	30	30	HBEC	
Cc1c(CC(=O)ON2C(=O)C[C@@H](S(=O)(=O)O)C2=O)c(=O)oc2cc(N)ccc12	116417683	PBHOMWKFPPDJAB-GFCCVEGCSA-N	410.360	-0.300	30	30	HBEC	
Cc1nnc(-c2ccc(CC(=O)ON3C(=O)C[C@@H](S(=O)(=O)O)C3=O)cc2)nn1	575409794	MFXLNXDEZRFSQD-LLVKDONJSA-N	407.364	-0.742	30	30	HBEC	
Cc1nnc(-c2ccc(CC(=O)ON3C(=O)C[C@H](S(=O)(=O)O)C3=O)cc2)nn1	575409797	MFXLNXDEZRFSQD-NSHDSACASA-N	407.364	-0.742	30	30	HBEC