smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
N[C@@H](C[S@@](=O)OO)C(=O)O	58632728	XWVCSZNIYHRFRC-OGLHPLBBSA-N	169.158	-1.448	50	1	AAGF	in-vitro
[C-]#[N+][C@]1(O)C=C[C@@](O)([C@H](C)O)[C@@H]1O	238769501	YDESHCUKJUUXAP-HSNKUXOKSA-N	185.179	-1.363	50	1	AAGF	
O=C[Si](O)(O)O	195883011	CPYKMADCACQCMY-UHFFFAOYSA-N	108.125	-2.326	50	1	AAGF	in-vitro
C=C1C=CC(=O)N(CC(=O)NN)N1	957698182	CIHNXOSXYTWVOX-UHFFFAOYSA-N	182.183	-1.607	50	1	AAGF	
Cc1no[n+]([O-])c1/C=N/NC(N)=O	66262663	YDMBLSCSMFECCK-FARCUNLSSA-N	185.143	-1.381	50	1	AAGF	
N[C@@H](CCCC[B-](O)(O)O)C(=O)O	169748469	BLVGFZFOWWBCCZ-YFKPBYRVSA-N	192.000	-1.516	50	1	AAGF	in-vivo
C[C@H](NC(=O)CN)C(=O)NN	27302300	FELYGIMSJPGUCC-VKHMYHEASA-N	160.177	-2.560	50	1	AAGF	
N[C@@H](CC/C=C/[B-](O)(O)O)C(=O)O	169748487	CCCYGXMAMSUXAV-FYTLMZHYSA-N	189.984	-1.810	50	1	AAGF	in-vivo
Nc1nonc1C(=O)N/N=C/C(=O)O	5287045	JKWHKYHBGKWHNW-LREOWRDNSA-N	199.126	-1.548	50	1	AAGF	
[O][Si](=O)O	263614257	DVGGIKRQUZKXCW-UHFFFAOYSA-N	77.091	-1.175	50	1	AAGF	in-vitro
O=C1N=C[C@H](B(O)O)C(=O)N1	334164120	QXTRGRUFBLMUOY-REOHCLBHSA-N	155.906	-1.850	50	1	AAGF	
C[Si](O)(O)CO	195882979	WDZZBNDDWHASBC-UHFFFAOYSA-N	108.169	-1.426	50	1	AAGF	in-vitro
CN(CC(=O)O)NC(=O)[C@@H](N)CN	473128605	CRMHLNMJTADUDP-BYPYZUCNSA-N	190.203	-2.680	50	1	AAGF	
CC1=CCC(=O)N(CC(=O)NN)N1	958527443	HSCNDFXGRULDOW-UHFFFAOYSA-N	184.199	-1.383	50	1	AAGF	
COC(=O)[C@H](CB(O)O)NC(N)=O	195372350	NBRICNDVIWZXAF-VKHMYHEASA-N	189.964	-2.331	50	1	AAGF	
COC(=O)[C@@H](CB(O)O)NC(N)=O	195372344	NBRICNDVIWZXAF-GSVOUGTGSA-N	189.964	-2.331	50	1	AAGF	
O=C(/N=C\NNC(=O)NO)NO	27518657	FXYNEEYXXARAKR-UHFFFAOYSA-N	177.120	-1.694	50	1	AAGF	
NNC(=O)CN1CSC(N)=N1	103242053	MIGAQPKRQYPLCV-UHFFFAOYSA-N	175.217	-1.788	50	1	AAGF	
O=C(O)[C@H](O)[C@H](O)[C@H](O)CCl	95635730	IJQSOCFSKCENOW-BXXZVTAOSA-N	184.575	-1.608	50	1	AAGF	in-vitro
O=C[C@H](O)[C@H](O)[C@H](O)CCl	95635754	KDUJLBVYFZOEJP-MROZADKFSA-N	168.576	-1.493	50	1	AAGF	in-vitro
C[C@@H](NS(C)(=O)=O)[B-](O)(O)O	205191295	ZTYRBLZCLIYDCR-GSVOUGTGSA-N	184.002	-2.621	50	1	AAGF	in-vitro
Cc1c(/C=N/NC(N)=O)no[n+]1[O-]	103283217	JNEFZHPDXCARKV-FARCUNLSSA-N	185.143	-1.381	50	1	AAGF	
OC[C@H]1O[C@H](O)[C@@H](Cl)[C@@H](O)[C@H]1O	4475133	SNGNCYILSHZBLM-PHYPRBDBSA-N	198.602	-1.975	50	1	AAGF	
C[C@H](CS)C(=O)NCB(O)O	1857551629	HXSZVYICUWXMQS-SCSAIBSYSA-N	177.034	-1.320	50	1	AAGF	
OC[C@H]1OC[C@H](B(O)O)[C@@H](O)[C@@H]1O	1857771103	XBRCRUZJWCOHQO-SLPGGIOYSA-N	191.976	-3.058	50	1	AAGF	
N=c1ccn(CCC(=O)NN)c(O)n1	653795159	QHDOFUMLVUTTEJ-UHFFFAOYSA-N	197.198	-1.552	50	1	AAGF	
C[Si](O)(O)C=O	195882986	DHHPRNWPVSICIS-UHFFFAOYSA-N	106.153	-1.185	50	1	AAGF	in-vitro
NNC(=O)c1nnc(O)c2[nH]ncc12	1772621157	LFXSADKWZWJJOP-UHFFFAOYSA-N	194.154	-1.338	50	1	AAGF	
NCCCC[C@H](N)B(O)O	195809589	PZVAGZRLDYQMPS-YFKPBYRVSA-N	145.999	-1.545	50	1	AAGF	in-vitro
OO[B-](O)(O)O	263614432	KCLALKWXQGIYAS-UHFFFAOYSA-N	94.839	-2.112	50	1	AAGF	in-vitro
O=C1O[C@@H](CCl)[C@@H](O)[C@H]1O	40511700	CBQUKTYYJALFIT-PZGQECOJSA-N	166.560	-1.128	50	1	AAGF	in-vitro
N[C@@H](CC(=O)OC=O)C(=O)O	58626861	GWMBYHNCVMJVDI-VKHMYHEASA-N	161.113	-1.512	50	1	AAGF	in-vitro
NNC(=O)COP(=O)(O)O	26741812	OTQGCPIGFCJBDI-UHFFFAOYSA-N	170.061	-1.914	50	1	AAGF	
[C-]#[N+]C1=C[C@@](O)([C@H](C)O)[C@H](O)[C@H]1O	238761380	IGGOWFZBVPRSMG-ZAKLUEHWSA-N	185.179	-1.363	50	1	AAGF	
O=C(O)c1cc(B(O)O)ccc1CO	208610495	KXQALGPOXHVKBH-UHFFFAOYSA-N	195.967	-1.443	50	1	AAGF	
COCCC[C@H](N)B(O)O	217677357	HSZIJAHUOVGOAM-YFKPBYRVSA-N	146.983	-1.248	50	1	AAGF	in-vitro
OC[C@@H]1O[C@H](O)[C@@H](Cl)[C@@H](O)[C@H]1O	4475134	SNGNCYILSHZBLM-XKTQNOIPSA-N	198.602	-1.975	50	1	AAGF