smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C/C(=N\NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1	1475268	QRTINNWSXPZAOK-YBFXNURJSA-N	354.370	-0.026	50	50	FBGA	
O=C(C[C@H]1OB(O)c2ccccc21)NN=c1nc(-c2cccnc2)[nH]o1	1875290703	YGJYGYITMJGIMI-CYBMUJFWSA-N	351.131	-0.154	50	50	FBGA	
CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)C(=O)NN	71767047	PATRHGIKJJLSHX-QWHCGFSZSA-N	352.391	-0.596	50	50	FBGA	
COc1ccc(/C=N/NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1	984812	KQFMQYRIDPWQKN-UFWORHAWSA-N	370.369	-0.407	50	50	FBGA	
CC(=O)N[C@@H]1[C@H](Cl)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	138798765	NAYYKQAWUWXLPD-XVIXHAIJSA-N	365.766	-0.119	50	50	FBGA	
O=C(NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1)c1cccc(B(O)O)c1	863886479	BCHDAHPKWHOOQR-JTQLQIEISA-N	358.125	-0.103	50	50	FBGA	
O=C(CCCCC(=O)NNC(=S)NC1CC1)NNC(=S)NC1CC1	6361325	AVDLIULUCLERAU-UHFFFAOYSA-N	372.520	-0.138	50	50	FBGA	
Cn1ccnc1[C@@H](NC(=O)c1ccc(B(O)O)c(C=O)c1)C(F)(F)F	2325873463	ICMQAUNALLOBIW-LLVKDONJSA-N	355.081	-0.054	50	50	FBGA	
Cn1cc(Br)c(C(=O)NNC(=O)c2nn(C)cc2[N+](=O)[O-])n1	2741539	AJKHDVWINJJNIS-UHFFFAOYSA-N	372.139	-0.101	50	50	FBGA	
O=C(NNC(=O)c1ccc([N+](=O)[O-])o1)NNC(=O)c1ccc([N+](=O)[O-])o1	104103040	QKPQFRNNWAWFED-UHFFFAOYSA-N	368.218	-0.022	50	50	FBGA	
Cn1c(=O)c2c(ncn2CC(=O)N/N=C/c2cccc(F)c2)n(C)c1=O	1100601	AAYBCPQJEUWCIW-FBCYGCLPSA-N	358.333	-0.277	50	50	FBGA	biogenic
CC(=O)N[C@H]1[C@H](Cl)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	21304360	NAYYKQAWUWXLPD-DHGKCCLASA-N	365.766	-0.119	50	50	FBGA	
Cc1cc(NNC(=O)Nc2cnn(CCN3CCOCC3)c2)nc(=N)[nH]1	1875309290	FDMXIRUCGCSWDX-UHFFFAOYSA-N	361.410	-0.125	50	50	FBGA	
Cn1c2c(c(=O)n(C)c1=O)[C@]1(C(=O)Nc3ccc(F)cc31)C(C#N)=C(N)O2	1125949	CQZXRONPJBVLSA-QGZVFWFLSA-N	369.312	-0.452	50	50	FBGA	
CS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=S)NC[C@@H]2CCCO2)C1	17074968	VTDFXGKVQIETDT-MNOVXSKESA-N	364.493	-0.668	50	50	FBGA	
COc1cccc(/C=N/NC(=O)[C@H](C)Nc2n[nH]c(=O)[nH]c2=O)c1OC	1916747	LWSZKINUWVICMQ-LBBJYAOWSA-N	362.346	-0.574	50	50	FBGA	
CC(C)C(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-]	735685289	TXESBXOITLNLDP-UHFFFAOYSA-N	355.336	-0.260	50	50	FBGA	
C=CC(=O)N1CCC[C@H](C(=O)NN=c2nc(Br)[nH]n2C)C1	1875330075	LTQHAROFIPVSKK-QMMMGPOBSA-N	357.212	-0.133	50	50	FBGA	
CN1CCN(S(=O)(=O)c2cc(B(O)O)ccc2OC(F)(F)F)CC1	230542170	HAFHTCMRFJFMLT-UHFFFAOYSA-N	368.142	-0.799	50	50	FBGA	
COc1ccccc1/C=N/NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	1300216	IINHBSNFEIPXPR-UFWORHAWSA-N	370.369	-0.407	50	50	FBGA	
Cn1c(=O)c2c(ncn2CC(=O)N/N=C/c2ccccc2O)n(C)c1=O	1475242	WCGCJQVPQVNLCQ-CNHKJKLMSA-N	356.342	-0.710	50	50	FBGA	
C/C(=N\NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1O	13685804	GJEWBUWTRMWBPG-VXLYETTFSA-N	370.369	-0.320	50	50	FBGA	
COC(=O)[C@H](CSSC[C@H](NC(=O)O)C(=O)OC)NC(C)=O	95495894	AQPDKGGJOOHPFC-YUMQZZPRSA-N	354.406	-0.145	50	50	FBGA	
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(B(O)O)c2)CC1	204460344	XNOZXZIWFVIYHA-UHFFFAOYSA-N	370.236	-0.392	50	50	FBGA	
C[C@H](Cl)C(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1	1875364932	YHRIOYVIHNAEPH-VIFPVBQESA-N	362.839	-0.416	50	50	FBGA	
C/C(=N\NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(O)cc1	5034931	CJAVVHVUUMTHSE-VXLYETTFSA-N	370.369	-0.320	50	50	FBGA	
CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=S)NCCCOC)C1	13322396	OCLOGGAJEAZGJH-LLVKDONJSA-N	366.509	-0.420	50	50	FBGA	
COC(=O)[C@H](CSSC[C@H](NC(C)=O)C(=O)OC)NC(C)=O	4982923	ZTTORBNKJFMGIM-UWVGGRQHSA-N	352.434	-0.277	50	50	FBGA	in-vitro
Cn1c(=O)c2c(nc(Br)n2C[C@@H](O)CCl)n(C)c1=O	12436930	NMKWXPMQYYWLKK-YFKPBYRVSA-N	351.588	-0.204	50	50	FBGA	
CC(C)C(=O)NN(C)c1nc(N2CCOCC2)nc(N2CCOCC2)n1	4722152	ACVMMNZVGHSZDE-UHFFFAOYSA-N	365.438	-0.332	50	50	FBGA	
Cc1cccc(/C=N/NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1	1475021	VMIZJLUCNJUOQR-UFWORHAWSA-N	354.370	-0.108	50	50	FBGA	biogenic
CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=S)NCCCOC)C1	13322398	OCLOGGAJEAZGJH-NSHDSACASA-N	366.509	-0.420	50	50	FBGA	
CS(=O)(=O)N1CC[C@@H]1C(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1	1875312596	FZCKSYGOFUXZBK-SSDOTTSWSA-N	369.325	-0.917	50	50	FBGA	
Nc1ncnc(NNC(=O)CNC(=O)COc2ccccc2)c1[N+](=O)[O-]	3912705	YCWZIXPFAXRKHH-UHFFFAOYSA-N	361.318	-0.395	50	50	FBGA	
O=Cc1cc(C(=O)NCCC(=O)NCc2ccccn2)ccc1B(O)O	2325873279	BEDJQWOVATYSPN-UHFFFAOYSA-N	355.159	-0.990	50	50	FBGA	
Cn1c(=O)n2n(c1=O)[C@H]1[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@@]13C[C@@H](O)[C@H](Br)C[C@]53[C@H]42	257347056	PTTZJHLSCTUXKF-BSHXIRAFSA-N	366.215	-0.146	50	50	FBGA	
O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Cl)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	5290524	OLLJJGMGCDILGO-ULAWRXDQSA-N	365.260	-0.906	50	50	FBGA	
CS(=O)(=O)N1CCC[C@H](C(=O)NNC(=S)NC[C@@H]2CCCO2)C1	17074969	VTDFXGKVQIETDT-QWRGUYRKSA-N	364.493	-0.668	50	50	FBGA	
Cn1c(=O)n2n(c1=O)[C@H]1[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@]13C[C@@H](Br)[C@H](O)C[C@]53[C@H]42	257347059	PTTZJHLSCTUXKF-WUYJZUKCSA-N	366.215	-0.146	50	50	FBGA	
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NNC(=O)C(=O)NC1CC1	229657460	PFFTWICGEPMRKG-JBLDHEPKSA-N	369.447	-0.862	50	50	FBGA	
C=CCNC(=S)NNC(=O)CCCCC(=O)NNC(=S)NCC=C	5225171	MACWKPIZGNHWJC-UHFFFAOYSA-N	372.520	-0.091	50	50	FBGA	
Cc1ccccc1/C=N/NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	1475027	RAKLMRGNQAIJGV-UFWORHAWSA-N	354.370	-0.108	50	50	FBGA	biogenic
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)C(=O)NN	71767046	PATRHGIKJJLSHX-STQMWFEESA-N	352.391	-0.596	50	50	FBGA	
CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CO)C(=O)NN	71767049	PATRHGIKJJLSHX-CHWSQXEVSA-N	352.391	-0.596	50	50	FBGA	
Cn1c2c(c(=O)n(C)c1=O)[C@@]1(C(=O)Nc3ccc(F)cc31)C(C#N)=C(N)O2	1125950	CQZXRONPJBVLSA-KRWDZBQOSA-N	369.312	-0.452	50	50	FBGA	
O=C(CCl)NCc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O	38444857	XRAYWKDMFVKUTJ-JTQLQIEISA-N	363.757	-0.057	50	50	FBGA	
Cn1c(=O)c2c(ncn2CC(=O)N/N=C/c2ccccc2F)n(C)c1=O	949976	NISCLLPCJNNMJA-FBCYGCLPSA-N	358.333	-0.277	50	50	FBGA	
CNC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CCl)cc1	66324482	APJKDSVMEHZCMM-LBPRGKRZSA-N	366.805	-0.059	50	50	FBGA	
C[C@@H](Cl)C(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1	1875364931	YHRIOYVIHNAEPH-SECBINFHSA-N	362.839	-0.416	50	50	FBGA	
CC(=O)N[C@@H]1[C@H](Cl)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	142809663	NAYYKQAWUWXLPD-MBJXGIAVSA-N	365.766	-0.119	50	50	FBGA	
NNC(=O)CNS(=O)(=O)c1ccc(I)cc1	252507619	WPSKRJPVLIEQKS-UHFFFAOYSA-N	355.157	-0.441	50	50	FBGA	
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CO)C(=O)NN	71767048	PATRHGIKJJLSHX-OLZOCXBDSA-N	352.391	-0.596	50	50	FBGA	
N#Cc1c2c(c[nH]c1=N)CN(C(=O)c1ccc(B(O)O)c(C=O)c1)CC2	2325873506	JHDOJRIVWQVZEC-UHFFFAOYSA-N	350.143	-0.943	50	50	FBGA	
COc1ccc(CNS(=O)(=O)c2ccc(B(O)O)cc2)c(OC)c1	230556861	IEWWRZNHEYKSSF-UHFFFAOYSA-N	351.189	-0.138	50	50	FBGA	
Cn1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c2c(c1=O)CCCC2	2325744474	USNPOFZTAMRPQY-JTQLQIEISA-N	367.427	-0.540	50	50	FBGA	
O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Cl)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	5290532	OLLJJGMGCDILGO-RULNZFCNSA-N	365.260	-0.906	50	50	FBGA	
CC(=O)N[C@H]1[C@@H](Cl)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	36408046	NAYYKQAWUWXLPD-RGDJUOJXSA-N	365.766	-0.119	50	50	FBGA	in-vitro
O=Cc1cc(C(=O)N2CCC(Cn3ccccc3=O)CC2)ccc1B(O)O	2325873416	GMAWLEDBFIEOAJ-UHFFFAOYSA-N	368.198	-0.107	50	50	FBGA	
CS(=O)(=O)N1CC[C@H]1C(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1	1875312597	FZCKSYGOFUXZBK-ZETCQYMHSA-N	369.325	-0.917	50	50	FBGA	
C/C(N)=C(\C#N)C(=O)COC(=O)/C=C/C(=O)OCC(=O)/C(C#N)=C(/C)N	254444038	DSDSFPBIMFHCFR-TVBGPHNVSA-N	360.326	-0.720	50	50	FBGA	
CNC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CCl)cc1	66324481	APJKDSVMEHZCMM-GFCCVEGCSA-N	366.805	-0.059	50	50	FBGA	
CC(C)(O)C(=O)NNC(=O)c1cc(Br)ccc1-n1cnnn1	832755007	YCJMPBCIBJBSPJ-UHFFFAOYSA-N	369.179	-0.043	50	50	FBGA	
O=S(=O)(c1cc(B(O)O)ccc1OC(F)(F)F)N1CCOCC1	230533557	RXSUJUOLGGVKSI-UHFFFAOYSA-N	355.099	-0.714	50	50	FBGA	
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(B(O)O)cc2)CC1	204455929	BDIPQTYNHWWNDM-UHFFFAOYSA-N	370.236	-0.392	50	50	FBGA	
Cn1c(=O)c2c(ncn2CC(=O)N/N=C/c2ccc(O)cc2)n(C)c1=O	657609	VOVFBEGWJVHCCU-CNHKJKLMSA-N	356.342	-0.710	50	50	FBGA	
COc1cc(/C=N/NC(=O)CSc2nnc(=O)[nH]c2O)ccc1O	1788285	UBAFFHBVUNCVKH-LHHJGKSTSA-N	351.344	-0.173	50	50	FBGA	
CC(=O)N[C@@H]1[C@H](Cl)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	206396867	NAYYKQAWUWXLPD-XHJNMGKDSA-N	365.766	-0.119	50	50	FBGA	
Cc1ccc(/C=N/NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1	1088293	ZJWKRTCFPSMLPW-UBKPWBPPSA-N	360.399	-0.046	50	50	FBGA	biogenic
COc1cccc(/C=N/NC(=O)[C@@H](C)Nc2n[nH]c(=O)[nH]c2=O)c1OC	1916750	LWSZKINUWVICMQ-XUNMKLQISA-N	362.346	-0.574	50	50	FBGA	
O=C(N[C@H]1CS(=O)(=O)C[C@H]1Cl)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	5290481	OLLJJGMGCDILGO-SOSBWXJGSA-N	365.260	-0.906	50	50	FBGA	
O=S(=O)(c1ccc(B(O)O)cc1)N1CCN(Cc2ccccc2)CC1	170002452	OSJDCEBPDXWQSU-UHFFFAOYSA-N	360.244	-0.127	50	50	FBGA	
Cn1c(=O)c2c(ncn2CC(=O)N/N=C/c2ccc(F)cc2)n(C)c1=O	1475220	VUKHLUFFGGLMJU-FBCYGCLPSA-N	358.333	-0.277	50	50	FBGA	
Cn1c(=O)c2c(ncn2CC(=O)N/N=C/c2cccc(O)c2)n(C)c1=O	1305000	NEQFMZAOIPFFCM-CNHKJKLMSA-N	356.342	-0.710	50	50	FBGA	
Cn1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c2c(c1=O)CCCC2	2325744475	USNPOFZTAMRPQY-SNVBAGLBSA-N	367.427	-0.540	50	50	FBGA	
O=Cc1c(OCC(=O)NCCOc2ccc(F)cc2)cccc1B(O)O	2325826323	YHSZMDVPUNYSJQ-UHFFFAOYSA-N	361.134	-0.108	50	50	FBGA	
O=C(C[C@@H]1OB(O)c2ccccc21)NN=c1nc(-c2cccnc2)[nH]o1	1875290704	YGJYGYITMJGIMI-ZDUSSCGKSA-N	351.131	-0.154	50	50	FBGA	
O=C1NC(=O)C(=NNC(=O)[C@H]2COc3cc4ccccc4cc3O2)C(=O)N1	5650323	FKDUGTDVNUGXEC-GFCCVEGCSA-N	368.305	-0.182	50	50	FBGA	
Cc1c(C)n2c(CNC(=O)CSS(=O)(=O)O)c(C)c(=O)n2c1=O	34430720	UOWNSKJMJRHHQP-UHFFFAOYSA-N	361.401	-0.726	50	50	FBGA	
O=C(CNc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccc(Br)cc1	942656	OACWPUWXCIBLPT-PJQLUOCWSA-N	367.163	-0.217	50	50	FBGA	
Cn1c(=O)c2c(ncn2CC(=O)N/N=C/C=C/c2ccco2)n(C)c1=O	13596938	INCWORRWYQSHJM-KDOXUUJXSA-N	356.342	-0.158	50	50	FBGA	
COc1ccc(CNS(=O)(=O)c2cccc(B(O)O)c2)c(OC)c1	230550093	QZSXJFFAENGMFE-UHFFFAOYSA-N	351.189	-0.138	50	50	FBGA	
C=CC(=O)N1CCC(C(=O)NN=c2nc(Br)[nH]n2C)CC1	1875330633	WCZQPERXKSHHGC-UHFFFAOYSA-N	357.212	-0.133	50	50	FBGA	
N[C@@H](CCS(=O)(=O)O)CSSC[C@@H](N)CCS(=O)(=O)O	13975501	HJPXZXVKLGEMGP-YUMQZZPRSA-N	368.524	-0.422	50	50	FBGA	investigational
CS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=S)NC[C@H]2CCCO2)C1	239235302	VTDFXGKVQIETDT-GHMZBOCLSA-N	364.493	-0.668	50	50	FBGA	
CN(C)CCN1C[C@@H](C(=O)NNC(=O)c2cccc(Cl)n2)CC1=O	912508330	RSXQLWDDCTXYHN-JTQLQIEISA-N	353.810	-0.094	50	50	FBGA	
C=CC(=O)N1CCC[C@@H](C(=O)NN=c2nc(Br)[nH]n2C)C1	1875330074	LTQHAROFIPVSKK-MRVPVSSYSA-N	357.212	-0.133	50	50	FBGA	
Cn1c(=O)n2n(c1=O)[C@H]1[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@@]13C[C@@H](Br)[C@H](O)C[C@@]53[C@H]42	257347057	PTTZJHLSCTUXKF-NCRMYOIVSA-N	366.215	-0.146	50	50	FBGA	
O=C(Cc1n[nH]c(=O)[nH]c1=O)N/N=C\c1ccc(Br)cc1	32227711	KGLFKVBVCAGPFG-NSIKDUERSA-N	352.148	-0.087	50	50	FBGA	
CS(=O)(=O)SCCNc1ccc(S(N)(=O)=O)c2nonc12	2387125	KWTVZGWKNPGWAC-UHFFFAOYSA-N	352.419	-0.025	50	50	FBGA	in-vitro
O=S(=O)(c1cc(F)c(F)cc1B(O)O)N1CCC2(CC1)OCCO2	230545843	OIGIUIBIJOKUKU-UHFFFAOYSA-N	363.147	-0.828	50	50	FBGA	
O=C1NC(=O)C(=NNC(=O)[C@@H]2COc3cc4ccccc4cc3O2)C(=O)N1	5650329	FKDUGTDVNUGXEC-LBPRGKRZSA-N	368.305	-0.182	50	50	FBGA	
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2B(O)O)CC1	230819732	RAIFJFXNGRZRDL-UHFFFAOYSA-N	370.236	-0.392	50	50	FBGA	
Cn1ccnc1[C@H](NC(=O)c1ccc(B(O)O)c(C=O)c1)C(F)(F)F	2325873464	ICMQAUNALLOBIW-NSHDSACASA-N	355.081	-0.054	50	50	FBGA	
CCOc1ccc(C=NNC(=O)CNS(=O)(=O)N2CCOCC2)cc1	16667139	SBCBXWZYRCVTGC-UHFFFAOYSA-N	370.431	-0.298	50	50	FBGA	
O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Cl)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	5290487	OLLJJGMGCDILGO-DKXJUACHSA-N	365.260	-0.906	50	50	FBGA	
COc1cccc(/C=N/NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1	1477384	FTZXWGISOMKGDH-UFWORHAWSA-N	370.369	-0.407	50	50	FBGA	biogenic
O=C(NC[C@H]1CCCN(C(=O)C(F)(F)F)C1)c1cccc(B(O)O)c1	863886480	BCHDAHPKWHOOQR-SNVBAGLBSA-N	358.125	-0.103	50	50	FBGA	
COc1ccc(B(O)O)cc1S(=O)(=O)NCC1CCC(OC)CC1	230549993	OIZCBXVOCRVGCF-UHFFFAOYSA-N	357.237	-0.142	50	50	FBGA	
CS(=O)(=O)N1CCC[C@H](C(=O)NNC(=S)NC[C@H]2CCCO2)C1	239235303	VTDFXGKVQIETDT-WDEREUQCSA-N	364.493	-0.668	50	50	FBGA	
CCOc1ccc(/C=N/NC(=O)CNc2n[nH]c(=O)[nH]c2=O)cc1OC	1787584	GJERBMLMOGNJTJ-REZTVBANSA-N	362.346	-0.572	50	50	FBGA	
Cn1c(=O)c2c(nc(Br)n2C[C@H](O)CCl)n(C)c1=O	12436931	NMKWXPMQYYWLKK-RXMQYKEDSA-N	351.588	-0.204	50	50	FBGA	
O=C(CCl)NCc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O	38444856	XRAYWKDMFVKUTJ-SNVBAGLBSA-N	363.757	-0.057	50	50	FBGA	
Cn1c(=O)n2n(c1=O)[C@H]1[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@@]13C[C@@H](Br)[C@H](O)C[C@]53[C@H]42	257347058	PTTZJHLSCTUXKF-PWKJMRACSA-N	366.215	-0.146	50	50	FBGA	
Cc1ccc2c(c1)=C(NNC(=O)C(=O)Nc1ccc(C(=O)O)cc1)C(=O)N=2	38190165	BNZPSNYSOBMWOI-UHFFFAOYSA-N	366.333	-0.779	50	50	FBGA	
CC(=O)N[C@H]1[C@@H](Cl)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	15657697	NAYYKQAWUWXLPD-KSTCHIGDSA-N	365.766	-0.119	50	50	FBGA	in-vitro
Cc1cccc(=O)n1CCCCNC(=O)c1ccc(B(O)O)c(C=O)c1	2325873598	MRKDNQPXRMQCOE-UHFFFAOYSA-N	356.187	-0.141	50	50	FBGA	
CN(C)CCN1C[C@H](C(=O)NNC(=O)c2cccc(Cl)n2)CC1=O	912508331	RSXQLWDDCTXYHN-SNVBAGLBSA-N	353.810	-0.094	50	50	FBGA