smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCOc1cc(/C=N/NC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)ccc1O	19892578	CZCGLIDYPSEJQN-LIDQOOPASA-N	358.347	-2.323	50	50	FAGA	
O=c1ccn([C@@H]2O[C@H](CI)[C@@H](O)[C@@H]2O)c(=O)[nH]1	142633703	NEMNIUYGXIQPPK-CCXZUQQUSA-N	354.100	-1.409	50	50	FAGA	
CCOc1cc(/C=N/NC(=O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)ccc1O	257346891	CZCGLIDYPSEJQN-ZFSVQPPCSA-N	358.347	-2.323	50	50	FAGA	
C(CO[Si-]12(OCCO1)OCCO2)O[Si-]12(OCCO1)OCCO2	170156935	LQMAOGRPKHMMTF-UHFFFAOYSA-N	356.432	-1.021	50	50	FAGA	
O=c1ccn([C@@H]2O[C@H](CI)[C@@H](O)[C@H]2O)c(=O)[nH]1	1607375	NEMNIUYGXIQPPK-XVFCMESISA-N	354.100	-1.409	50	50	FAGA	in-vitro
C[C@]1(C2CCN(C(=O)c3ccc(B(O)O)c(C=O)c3)CC2)NC(=O)NC1=O	2325873926	YYPYISCISUBLJU-QGZVFWFLSA-N	373.174	-1.371	50	50	FAGA	
CCS(=O)(=O)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NN)O2	8873171	VLQUROIGJHGFHJ-LLVKDONJSA-N	363.417	-1.003	50	50	FAGA	
COc1cc(/C=N/NC(=O)Cc2n[nH]c(=O)[nH]c2=O)cc([N+](=O)[O-])c1O	1748509	PKZACJXRHSWWCC-LHHJGKSTSA-N	364.274	-1.227	50	50	FAGA	
O=C(NCc1cc(F)cc(B(O)O)c1)NCc1cc(F)cc(B(O)O)c1	585662287	RYCXUDQHHPXNAD-UHFFFAOYSA-N	363.922	-1.676	50	50	FAGA	
CCOc1cc(/C=N/NC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)ccc1O	257346890	CZCGLIDYPSEJQN-JORMQVQZSA-N	358.347	-2.323	50	50	FAGA	
CCS(=O)(=O)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NN)O2	12860688	VLQUROIGJHGFHJ-NSHDSACASA-N	363.417	-1.003	50	50	FAGA	
COc1ccc(B(O)O)cc1S(=O)(=O)N1CCC2(CC1)OCCO2	230551875	FQRGSQBHWRNSMI-UHFFFAOYSA-N	357.193	-1.097	50	50	FAGA	
Nc1nnnn1CC(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	38175414	BVTVOSMUTXZVEU-KGVSQERTSA-N	351.239	-1.072	50	50	FAGA	
CC1(C)CN(C(=O)c2ccc(B(O)O)c(C=O)c2)CCN1S(C)(=O)=O	2325873301	CGHKDYMKSGMGBM-UHFFFAOYSA-N	368.220	-1.325	50	50	FAGA	
COc1cc(/C=N/NC(=O)CNc2n[nH]c(=O)[nH]c2=O)cc(OC)c1O	1781726	UXZTYPROKCKBJK-FZSIALSZSA-N	364.318	-1.257	50	50	FAGA	
O=CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]2(O)CO	257354884	CYYIGLDAAXXQAI-PSWNKMJPSA-N	374.342	-3.232	50	50	FAGA	
O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2I)c(=O)[nH]1	6091559	KVQOKCWRUQHGQR-XVFCMESISA-N	354.100	-1.409	50	50	FAGA	
CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)CCl)CC1	5313123	ITCUQVJUMVRGPH-SECBINFHSA-N	356.814	-1.225	50	50	FAGA	
O=C(O)CN(CCN1CC(=O)OC(=O)C1)CCN1CC(=O)OC(=O)C1	76945528	RAZLJUXJEOEYAM-UHFFFAOYSA-N	357.319	-2.856	50	50	FAGA	in-vitro
C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12	238772596	QCCRICPXIMDIGF-BOUFWMCZSA-N	360.359	-1.981	50	50	FAGA	biogenic
Cn1c(=O)c2c(ncn2CC(=O)N/N=C/c2ccc(O)cc2O)n(C)c1=O	1475244	TWKSRTKFWTWIGT-NGYBGAFCSA-N	372.341	-1.005	50	50	FAGA	
O=C(CN1CCS(=O)(=O)CC1)NNS(=O)(=O)c1cccs1	12958645	NSCVLISLAZSZME-UHFFFAOYSA-N	353.447	-1.212	50	50	FAGA	
O=Cc1cc(C(=O)N2CCC3(CC2)CS(=O)(=O)C3)ccc1B(O)O	2325873404	GBSKLLFGDVKOHL-UHFFFAOYSA-N	351.189	-1.170	50	50	FAGA	
O=C1N=c2ccccc2=C1NNC(=O)C(=O)Nc1cccc(C(=O)O)c1	38175465	HDXSIEKVQBENOM-UHFFFAOYSA-N	352.306	-1.088	50	50	FAGA	
CCOc1cc(/C=N/NC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)ccc1O	4829291	CZCGLIDYPSEJQN-FMTZOWHMSA-N	358.347	-2.323	50	50	FAGA	
CCN(C(=O)COc1cccc(B(O)O)c1C=O)[C@@H]1CCS(=O)(=O)C1	2325826287	WOYOSWCWFNHQAM-LLVKDONJSA-N	369.204	-1.407	50	50	FAGA	
Cn1c(=O)c2c(ncn2CC(=O)N/N=C/c2ccc(O)c(O)c2)n(C)c1=O	1477386	DVILAPUQSSKGRM-NGYBGAFCSA-N	372.341	-1.005	50	50	FAGA	biogenic
CCN(C(=O)COc1cccc(B(O)O)c1C=O)[C@H]1CCS(=O)(=O)C1	2325826288	WOYOSWCWFNHQAM-NSHDSACASA-N	369.204	-1.407	50	50	FAGA	
C=C(NCC(=O)O)[C@@H](N)CSSC[C@H](N)C(=O)NCC(=O)O	685965977	JDKUEQMWQKFMBU-YUMQZZPRSA-N	352.438	-1.589	50	50	FAGA	
C[C@@]1(C2CCN(C(=O)c3ccc(B(O)O)c(C=O)c3)CC2)NC(=O)NC1=O	2325873925	YYPYISCISUBLJU-KRWDZBQOSA-N	373.174	-1.371	50	50	FAGA	
COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1B(O)O	230550403	ZGTGDEGLRKGPKE-UHFFFAOYSA-N	357.193	-1.097	50	50	FAGA	
CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)CCl)CC1	5313125	ITCUQVJUMVRGPH-VIFPVBQESA-N	356.814	-1.225	50	50	FAGA