smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(C[C@H](O)[C@@H](O)[C@H]1C[C@H](O)C(=O)O1)NNc1ccccc1	37245932	RMCNWFVHFASVAT-MEWQQHAOSA-N	310.306	-1.082	50	50	DAGA	
COc1ccc(S(=O)(=O)N2CCNCC2)cc1B(O)O	230550822	XMEVGDAUAVDNIE-UHFFFAOYSA-N	300.145	-2.031	50	50	DAGA	
CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2B(O)O)CC1	230538975	CGZXNXVOGBNLPL-UHFFFAOYSA-N	320.126	-1.419	50	50	DAGA	
O=C(C[C@H](O)[C@H](O)[C@H]1C[C@H](O)C(=O)O1)NNc1ccccc1	5737539	RMCNWFVHFASVAT-KQXIARHKSA-N	310.306	-1.082	50	50	DAGA	
NNC(=O)c1nnn(-c2ccc([N+](=O)[O-])cc2)c1C(=O)NN	34924944	NZSNCBFZKKEOTG-UHFFFAOYSA-N	306.242	-1.618	50	50	DAGA	
CN1CCN(S(=O)(=O)c2cc(B(O)O)ccc2F)CC1	1772572519	KPRKSSSOWFLRIB-UHFFFAOYSA-N	302.136	-1.558	50	50	DAGA	
O=S(=O)(c1ccc(F)c(B(O)O)c1)N1CCC(O)CC1	230552304	DFKQJUMNASKXBO-UHFFFAOYSA-N	303.120	-1.349	50	50	DAGA	
CC(C)(O)C(C)(C)OB(O)c1ccc(B(O)O)c2nsnc12	200337788	SHDXXVCEOGCKEP-UHFFFAOYSA-N	323.976	-1.375	50	50	DAGA	
COc1ccc(B(O)O)cc1S(=O)(=O)N1CCN(C)CC1	230548518	PNVNITXAGACVBJ-UHFFFAOYSA-N	314.172	-1.689	50	50	DAGA	
Cn1c(=O)c2c(nc(NNC(=O)C(F)(F)F)n2C)n(C)c1=O	1069857	OPGPXORYZNPDMU-UHFFFAOYSA-N	320.231	-1.024	50	50	DAGA	
O=C(c1cc(B(O)O)ccc1Cl)N1CCN(CCO)CC1	230547703	CNRJIXSZZKZAKC-UHFFFAOYSA-N	312.562	-1.230	50	50	DAGA	
CC(C)[C@@H](C(=O)NCC(N)=O)N(C(=O)CNC=O)N(C)C	71769426	GDGIPSIANXGIQB-NSHDSACASA-N	301.347	-2.336	50	50	DAGA	
O=C(Cc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccc(C(=O)O)cc1	1748502	REHQOEYTCGUGMB-MKMNVTDBSA-N	317.261	-1.151	50	50	DAGA	
O=C(NN=C[C@H](O)[C@H](O)[C@H](O)[C@H](O)C(=O)O)c1ccncc1	252680158	WREFPPXAWHSISP-XKNYDFJKSA-N	313.266	-2.675	50	50	DAGA	
O=C(N/N=C/[C@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O)c1ccncc1	226934472	WREFPPXAWHSISP-HDQLKQJPSA-N	313.266	-2.675	50	50	DAGA	
O=Cc1cc(C(=O)NCCN2CCNC2=O)ccc1B(O)O	2325867016	HUIGBQCWLYJGCN-UHFFFAOYSA-N	305.099	-2.066	50	50	DAGA	
O=S(=O)(c1cc(B(O)O)ccc1F)N1CCC(O)CC1	1772572527	RRAADWYOZJDTQL-UHFFFAOYSA-N	303.120	-1.349	50	50	DAGA	
O=C(NCCBr)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO	257357967	RAOKOEZEEIJHKG-BDVNFPICSA-N	302.121	-3.067	50	50	DAGA	
Cc1cc(F)c(B(O)O)cc1S(=O)(=O)N1CCN(C)CC1	230554868	VTHXOLRYURFVLY-UHFFFAOYSA-N	316.163	-1.250	50	50	DAGA	
O=C(NCCBr)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO	257357968	RAOKOEZEEIJHKG-XZBKPIIZSA-N	302.121	-3.067	50	50	DAGA	
O=C(CNc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccccc1O	1781721	BCEXMJCYVXKFPQ-LHHJGKSTSA-N	304.266	-1.274	50	50	DAGA	
COc1ccc(B(O)O)cc1S(=O)(=O)N1CCOCC1	169743975	MCYOYCLLZQYKDW-UHFFFAOYSA-N	301.129	-1.604	50	50	DAGA	
CN1C2=CC(=O)/C(=N\NC(N)=O)C=C2C[C@@H]1S(=O)(=O)O	13831160	OZCACMPSTYQSMM-TXEUWIOXSA-N	300.296	-1.047	50	50	DAGA	in-man
O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2Br)c(=O)[nH]1	6091557	FEUDNSHXOOLCEY-XVFCMESISA-N	307.100	-1.449	50	50	DAGA	in-vitro
CC(C)[C@H](C(=O)NCC(N)=O)N(C(=O)CNC=O)N(C)C	71769427	GDGIPSIANXGIQB-LLVKDONJSA-N	301.347	-2.336	50	50	DAGA	
O=C(NN=C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O)c1ccncc1	252680157	WREFPPXAWHSISP-QEYWKRMJSA-N	313.266	-2.675	50	50	DAGA	
Cc1cc(F)c(B(O)O)cc1S(=O)(=O)N1CCOCC1	230554043	ZVAHYSVEYASQQS-UHFFFAOYSA-N	303.120	-1.165	50	50	DAGA	
CO[C@H]1O[C@H](CI)[C@@H](O)[C@H](O)[C@H]1O	34803085	MAZXJZHWRBSRKM-ZFYZTMLRSA-N	304.080	-1.125	50	50	DAGA	
O=C(NCCBr)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO	216276234	RAOKOEZEEIJHKG-VWDOSNQTSA-N	302.121	-3.067	50	50	DAGA	
CN1C2=CC(=O)/C(=N\NC(N)=O)C=C2C[C@H]1S(=O)(=O)O	2558245	OZCACMPSTYQSMM-DKBJHAQFSA-N	300.296	-1.047	50	50	DAGA	in-man
O=S(=O)(c1cc(F)c(F)cc1B(O)O)N1CCC(O)CC1	230540581	BYCJXIFUWCAJIZ-UHFFFAOYSA-N	321.110	-1.210	50	50	DAGA	
O=C(C[C@H](O)[C@@H](O)[C@H]1C[C@@H](O)C(=O)O1)NNc1ccccc1	25662909	RMCNWFVHFASVAT-SBFPOUOMSA-N	310.306	-1.082	50	50	DAGA	
O=C(NCCBr)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	45067716	RAOKOEZEEIJHKG-DBRKOABJSA-N	302.121	-3.067	50	50	DAGA	
CN1CCN(S(=O)(=O)c2ccc(B(O)O)cc2F)CC1	230551376	VCJDQZKWLFXGLF-UHFFFAOYSA-N	302.136	-1.558	50	50	DAGA	
COc1ccc(B(O)O)cc1S(=O)(=O)N1CCC(O)CC1	230548616	SMCLTUIHGJGQQD-UHFFFAOYSA-N	315.156	-1.480	50	50	DAGA	
O=C(NN=C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O)c1ccncc1	252680156	WREFPPXAWHSISP-AXTSPUMRSA-N	313.266	-2.675	50	50	DAGA	
O=C(C[C@H](O)[C@H](O)[C@H]1C[C@@H](O)C(=O)O1)NNc1ccccc1	5737542	RMCNWFVHFASVAT-WGBDABJCSA-N	310.306	-1.082	50	50	DAGA	
O=C(NN[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O)c1ccc(O)cc1	245294902	BVPPCGUXAHHXPA-UYNYGYNWSA-N	314.294	-2.574	50	50	DAGA	
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1B(O)O	230547984	BWDVJISMKUOJSU-UHFFFAOYSA-N	314.172	-1.689	50	50	DAGA	
CN(C)S(=O)(=O)N1CCN(c2ccc(B(O)O)cc2)CC1	170002316	PJSBLYFEFXMCNH-UHFFFAOYSA-N	313.188	-1.705	50	50	DAGA	
O=C(NN=C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O)c1ccncc1	252680155	WREFPPXAWHSISP-AATLWQCWSA-N	313.266	-2.675	50	50	DAGA	
O=C(NN[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1	245294903	BVPPCGUXAHHXPA-VFZGUZRASA-N	314.294	-2.574	50	50	DAGA	
Cc1cc(B(O)O)cc(C)c1S(=O)(=O)N1CCN(C)CC1	230539732	VQXVEHNNEJBMIP-UHFFFAOYSA-N	312.200	-1.081	50	50	DAGA	
O=S(=O)(c1cc(F)c(F)cc1B(O)O)N1CCOCC1	230534535	UFLCGIUYQLWVIJ-UHFFFAOYSA-N	307.083	-1.335	50	50	DAGA	
O=C(N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O)c1ccncc1	226934480	WREFPPXAWHSISP-RRXPMGMLSA-N	313.266	-2.675	50	50	DAGA	
O=C(COc1ccc(Cl)cc1)NNC(=O)C(=O)NCCO	2348875	YOERUJHASLBDKV-UHFFFAOYSA-N	315.713	-1.025	50	50	DAGA	
O=C(NN[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)c1ccc(O)cc1	245294900	BVPPCGUXAHHXPA-ATFQUMLSSA-N	314.294	-2.574	50	50	DAGA	
CC(=O)N1CCN(CCNC(=O)c2ccc(B(O)O)cc2)CC1	584929122	IEMRSZSMOYRSOF-UHFFFAOYSA-N	319.170	-1.740	50	50	DAGA	
O=Cc1c(OCC(=O)NC2CCOCC2)cccc1B(O)O	2325825816	DDJROKZLEDKAKY-UHFFFAOYSA-N	307.111	-1.147	50	50	DAGA	
O=C(NN[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)cc1	245294901	BVPPCGUXAHHXPA-OOTJXSFTSA-N	314.294	-2.574	50	50	DAGA	
C[C@@H](NC(=O)c1ccc(B(O)O)c(C=O)c1)c1nncn1C	2325867356	SZEBIDNUBFHJGJ-MRVPVSSYSA-N	302.099	-1.202	50	50	DAGA	
C[C@H](NC(=O)c1ccc(B(O)O)c(C=O)c1)c1nncn1C	2325867357	SZEBIDNUBFHJGJ-QMMMGPOBSA-N	302.099	-1.202	50	50	DAGA