smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1cc(/C=N/NC(=O)[C@H](C)Nc2n[nH]c(=O)nc2O)cc(OC)c1O	9087631	IJUWYBUMQFANKO-OCWHJVETSA-N	378.345	-0.456	50	50	GBGA	
COc1cc(/C=N/NC(=O)[C@@H](C)Nc2n[nH]c(=O)[nH]c2=O)cc([N+](=O)[O-])c1O	36092615	DURRXOQQWZMTJC-SVSQBPIJSA-N	393.316	-0.969	50	50	GBGA	
CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NN	2904168	KLJKJDCRRRGWRB-OLZOCXBDSA-N	382.417	-0.705	50	50	GBGA	
CCOc1ccccc1/C=N/NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	4888988	ZODSNABOKRMNRQ-AWQFTUOYSA-N	384.396	-0.017	50	50	GBGA	
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CI)[C@H](O)[C@H]1O	44608000	FUWWLIOFNXNKQR-GAWUUDPSSA-N	377.142	-0.537	50	50	GBGA	biogenic,in-vitro
CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NN	2904166	KLJKJDCRRRGWRB-STQMWFEESA-N	382.417	-0.705	50	50	GBGA	
CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=S)NC[C@@H]2CCCO2)C1	13322412	FPXIJATYXSPFOS-NEPJUHHUSA-N	378.520	-0.278	50	50	GBGA	
CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=S)NC[C@H]2CCCO2)C1	239046394	FPXIJATYXSPFOS-VXGBXAGGSA-N	378.520	-0.278	50	50	GBGA	
Cc1cc(B(O)O)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1	1772572582	YYJKNCQHISACON-UHFFFAOYSA-N	384.263	-0.084	50	50	GBGA	
NC(=O)NN=C1c2cc(S(N)(=O)=O)ccc2-c2ccc(S(N)(=O)=O)cc21	1777248	VZQHFLGVSHCBET-UHFFFAOYSA-N	395.422	-0.618	50	50	GBGA	
COc1cc(/C=N/NC(=O)[C@@H](C)Nc2n[nH]c(=O)nc2O)cc(OC)c1O	9087632	IJUWYBUMQFANKO-JGIDXFCNSA-N	378.345	-0.456	50	50	GBGA	
CC(=O)N[C@@H]1[C@@H](N=C=S)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	39945520	PNMDNJALVHCMOX-QTVXIADOSA-N	388.398	-0.255	50	50	GBGA	
O=C(N/N=C/c1ccc(O)cc1)[C@@H](O)[C@H](O)C(=O)N/N=C/c1ccc(O)cc1	2896207	SEIVBAKVMBIXTF-BQHQRIBUSA-N	386.364	-0.580	50	50	GBGA	
COC(=O)c1ccc(/C=N/NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1	1105475	MSOZFSBYTMGLEH-DNTJNYDQSA-N	398.379	-0.629	50	50	GBGA	
CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=S)NC[C@@H]2CCCO2)C1	13322414	FPXIJATYXSPFOS-RYUDHWBXSA-N	378.520	-0.278	50	50	GBGA	
C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	242302259	YQWGMQJYZOGAOR-ZLKJLUDKSA-N	379.413	-0.115	50	50	GBGA	
CCOC(=O)COc1ccc(/C=N/NC(=O)Cn2nnnc2N)cc1OC	2900451	AQWQLMUDFKKWGL-REZTVBANSA-N	377.361	-0.644	50	50	GBGA	
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(B(O)O)ccc2F)CC1	1772572532	WRGLCSKZIABGTP-UHFFFAOYSA-N	388.226	-0.253	50	50	GBGA	
CN1C/C(=C/c2ccc(B(O)O)cc2)C(=O)/C(=C\c2ccc(B(O)O)cc2)C1	199845803	SRPIKXGUPAKTIZ-APGQMXJTSA-N	377.014	-0.972	50	50	GBGA	
COC(=O)CN1C(=O)C(=NNC(=O)CNC(=O)c2ccncc2)c2ccccc21	252679387	LQGWGMFATUCMBE-UHFFFAOYSA-N	395.375	-0.149	50	50	GBGA	
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)O[C@H]1N=C=S	101136364	PNMDNJALVHCMOX-YYFQZIEXSA-N	388.398	-0.255	50	50	GBGA	
CNS(=O)(=O)c1ccccc1C(=O)NNC1=NS(=O)(=O)c2ccccc21	2189026	SSKQITCMWRCWOQ-UHFFFAOYSA-N	394.434	-0.022	50	50	GBGA	
COc1cccc(/C=N/NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1O	949974	SDAVZSLAMIOTLK-FBCYGCLPSA-N	386.368	-0.702	50	50	GBGA	
O=Cc1cc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)ccc1B(O)O	2325873767	SLVQEOYTLXYCPA-UHFFFAOYSA-N	396.208	-0.168	50	50	GBGA	
O=C(N/N=C/c1ccc(O)cc1)[C@H](O)[C@@H](O)C(=O)N/N=C/c1ccc(O)cc1	4989868	SEIVBAKVMBIXTF-GQZHMUEESA-N	386.364	-0.580	50	50	GBGA	
Cn1c(=O)c2c(ncn2CC(=O)N/N=C/c2ccc(C(=O)O)cc2)n(C)c1=O	1307438	XBQIOXSRDLBNTP-FBCYGCLPSA-N	384.352	-0.718	50	50	GBGA	
CC(=O)N[C@H]1[C@H](N=C=S)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	59759724	PNMDNJALVHCMOX-KJWHEZOQSA-N	388.398	-0.255	50	50	GBGA	in-vitro
COc1cc(/C=N/NC(=O)Cc2n[nH]c(=O)[nH]c2=O)cc(Br)c1O	942522	RPLLRINTTLYTDT-PJQLUOCWSA-N	398.173	-0.372	50	50	GBGA	
CC(=O)N[C@@H]1[C@@H](N=C=S)O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	39945518	PNMDNJALVHCMOX-YTFOTSKYSA-N	388.398	-0.255	50	50	GBGA	
O=C(N/N=C/c1ccc(O)cc1)[C@@H](O)[C@@H](O)C(=O)N/N=C/c1ccc(O)cc1	16666986	SEIVBAKVMBIXTF-WONSDZLVSA-N	386.364	-0.580	50	50	GBGA	
COc1cc(/C=N/NC(=O)CSc2n[nH]c(=O)[nH]c2=O)cc(OC)c1O	13520495	TZRIWAQPVMSAHH-PJQLUOCWSA-N	381.370	-0.577	50	50	GBGA	
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CI)[C@@H](O)[C@H]1O	2169845	FUWWLIOFNXNKQR-KQYNXXCUSA-N	377.142	-0.537	50	50	GBGA	biogenic,in-vitro
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NN	2904167	KLJKJDCRRRGWRB-QWHCGFSZSA-N	382.417	-0.705	50	50	GBGA	
CC(C)n1nc(C(=O)NNC(=O)c2cccc(B(O)O)c2)c2ccccc2c1=O	1440445822	LHEOSXLIJTXPOY-UHFFFAOYSA-N	394.196	-0.268	50	50	GBGA	
C[C@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	242302258	YQWGMQJYZOGAOR-GDLCADMTSA-N	379.413	-0.115	50	50	GBGA	
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CI)[C@@H](O)[C@@H]1O	16546161	FUWWLIOFNXNKQR-UHTZMRCNSA-N	377.142	-0.537	50	50	GBGA	biogenic,in-vitro
CN(Cc1nnnn1Cc1ccccc1)C(=O)c1ccc(B(O)O)c(C=O)c1	2325873645	OAFQFDAPTSCAMO-UHFFFAOYSA-N	379.185	-0.514	50	50	GBGA	
Cn1cc(S(=O)(=O)NCC(=O)NNc2ccccc2S(C)(=O)=O)cn1	732301514	BTVLBRSUZOGESM-UHFFFAOYSA-N	387.443	-0.755	50	50	GBGA	
COc1cccc(/C(C)=N/NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1	5033056	SDAVREAXJRXYCU-RGVLZGJSSA-N	384.396	-0.017	50	50	GBGA	
Cc1nn(CC(=O)NNC(=O)CCn2cc([N+](=O)[O-])cn2)c(C)c1[N+](=O)[O-]	2114414	CMGCGCSUANMMHC-UHFFFAOYSA-N	380.321	-0.249	50	50	GBGA	
O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NNC(=O)[C@H]1COc2ccccc2O1	252438228	FZQMHSOYVHHMMS-LALPHHSUSA-N	385.376	-0.075	50	50	GBGA	
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CI)[C@H](O)[C@@H]1O	22061452	FUWWLIOFNXNKQR-XJCFNFQFSA-N	377.142	-0.537	50	50	GBGA	biogenic,in-vitro
O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(B(O)O)cn2)CC1	169989582	JDAUUSKHFBENJG-UHFFFAOYSA-N	381.650	-0.074	50	50	GBGA	
CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ncccc2S(C)(=O)=O)c1	1354635377	WPRTYWXISKWHLH-UHFFFAOYSA-N	397.434	-0.037	50	50	GBGA	
CCOC(=O)C1=C(C)N/C(=C/C(C#N)=C(\N)N2CCN(CCO)CC2)C1=O	100436000	ZUWKUJHHHZSSKG-NNVCZZOXSA-N	375.429	-0.817	50	50	GBGA	
CCOc1ccc(/C=N/NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1	1475222	XTTANYWTOSNRJQ-AWQFTUOYSA-N	384.396	-0.017	50	50	GBGA	
COc1cc(/C=N/NC(=O)[C@H](C)Nc2n[nH]c(=O)[nH]c2=O)cc([N+](=O)[O-])c1O	36092614	DURRXOQQWZMTJC-XMQIJBHMSA-N	393.316	-0.969	50	50	GBGA	
CO[Si](CCCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)(OC)OC	195756178	MBEOQKABICERCN-UHFFFAOYSA-N	396.469	-0.888	50	50	GBGA	
CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=S)NC[C@H]2CCCO2)C1	239046392	FPXIJATYXSPFOS-NWDGAFQWSA-N	378.520	-0.278	50	50	GBGA	
O=C(CBr)NCCOCCOCCC(=O)ON1C(=O)CCC1=O	100008595	HDIXVXMKIWXBFA-UHFFFAOYSA-N	395.206	-0.472	50	50	GBGA	in-vitro
Cc1cn([C@H]2C[C@H](NC(=O)N(CCCl)N=O)[C@@H](CO)O2)c(=O)[nH]c1=O	27989704	VFSVPIANOGHWHL-IVZWLZJFSA-N	375.769	-0.575	50	50	GBGA	
O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1cccc(B(O)O)c1	863870513	HPHYNDNPIZYVJG-UHFFFAOYSA-N	396.256	-0.660	50	50	GBGA	
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NN	2904169	KLJKJDCRRRGWRB-CHWSQXEVSA-N	382.417	-0.705	50	50	GBGA	
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1N=C=S	101136371	PNMDNJALVHCMOX-CAEXGNQWSA-N	388.398	-0.255	50	50	GBGA	
O=Cc1cc(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)ccc1B(O)O	2325873556	LGBNPFFNOFPIBS-UHFFFAOYSA-N	382.181	-0.070	50	50	GBGA	
O=C(COc1ccc(Br)cc1)NNC(=O)c1cccc(B(O)O)c1	1440751433	KYEVJGAFTVFNNM-UHFFFAOYSA-N	393.002	-0.031	50	50	GBGA	
Cc1ccc(B(O)O)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1	230536451	PMWSSCJJHFBRRM-UHFFFAOYSA-N	384.263	-0.084	50	50	GBGA	
COc1cc(/C=N/NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1O	5402740	ALUYWDYRWYPVTP-FBCYGCLPSA-N	386.368	-0.702	50	50	GBGA	
Cn1c(=O)c2c(ncn2CC(=O)NNC(=S)Nc2ccccc2)n(C)c1=O	1257724	PFQCFCGMSWUGER-UHFFFAOYSA-N	387.425	-0.549	50	50	GBGA	
Cn1c(=O)c2c(ncn2CC(=O)N/N=C/c2ccccc2C(=O)O)n(C)c1=O	1475029	SGIQNLCOFORVQH-FBCYGCLPSA-N	384.352	-0.718	50	50	GBGA	biogenic
O=C(O)CN1C(=O)[C@@H]2[C@H]3O[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	252427738	DNBPLJKKWZXCQT-XAZAIFFQSA-N	382.992	-0.020	50	50	GBGA	
CC(C)(C)OC(=O)NNC(=O)CCOCCOCCOCCOCCN	96307100	SJCNXVBYQPAENC-UHFFFAOYSA-N	379.454	-0.043	50	50	GBGA	in-vitro