smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(=O)NCC[S@](=O)CCCCN=C=S	1857580680	BOJKSQXPGRFZST-OAHLLOKOSA-N	248.373	0.754	50	1	BCGF	
O=C(N/N=C/c1ccccn1)c1ncccn1	1857606242	BXVRMFLJYWDBJC-OVCLIPMQSA-N	227.227	0.636	50	1	BCGF	
CC(=O)N(O)CC[C@@H](Cl)P(=O)(O)O	49049676	QXTHXXBFCDYHPV-YFKPBYRVSA-N	231.572	0.357	50	1	BCGF	
C[C@@H](NC=O)C(=O)Oc1ccc([N+](=O)[O-])cc1	169335784	NYTSANSKMMLPMC-SSDOTTSWSA-N	238.199	0.635	50	1	BCGF	
CN(C)CCCNC(=O)N/N=C/c1ccccn1	1638556	WUQCULUGIXRHCV-XNTDXEJSSA-N	249.318	0.666	50	1	BCGF	
CCSC1=C(C#N)C(=O)N[C@H](CO)S1	6720999	SGSRAQKCEJCEQY-LURJTMIESA-N	230.314	0.656	50	1	BCGF	
N[C@H](Br)c1cc(=O)c(O)co1	169316089	WFNSFFWONFBNHK-LURJTMIESA-N	220.022	0.698	50	1	BCGF	
CC(=O)CC(=Cc1ccco1)C(=O)NN	2356315600	CLAHRMVMJHLHQE-UHFFFAOYSA-N	208.217	0.632	50	1	BCGF	
O[C@@H]1C[C@@H]2C[C@H](Cl)O[C@@H]3OC[C@@]1(O)[C@@H]32	2356589913	XNCBYWDPTVQQQZ-JTMCIWCCSA-N	220.652	0.056	50	1	BCGF	
N[C@@H](Cc1cc(O)c(OO)cc1OO)C(=O)O	58638760	BYMOOYNBSJDHEX-YFKPBYRVSA-N	245.187	0.050	50	1	BCGF	in-vitro
CC(=O)Nc1ccc(/C=N/NC(=O)NO)cc1	27409707	QLOJCGWGXKGCNP-IZZDOVSWSA-N	236.231	0.667	50	1	BCGF	
C[C@H](O)[C@H](Cl)C1=C[C@H](O)[C@@H](C)OC1=O	40834671	IIYOOZPJDRONSJ-JJJMYNALSA-N	220.652	0.207	50	1	BCGF	
CCC(=O)N[C@H]1C(=O)NC2=CSS[C@H]21	2356429483	WAYBAXDAQZLSTG-RNFRBKRXSA-N	230.314	0.616	50	1	BCGF	
O=C(NNCC(F)(F)F)c1ccncc1	1646061	CRYWAVKIIJLPGQ-UHFFFAOYSA-N	219.166	0.878	50	1	BCGF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCl	39613732	PCKNGIOWRPKVEF-UHFFFAOYSA-N	247.638	0.882	50	1	BCGF	
N#CC(C#N)=C1C(=O)Nc2cc(O)c(O)cc21	13822317	VDKNKEFDJLIAPS-UHFFFAOYSA-N	227.179	0.851	50	1	BCGF	
C[C@H](O)[C@H](Cl)C=C1C(=O)O[C@@H](C)[C@@H]1O	2356686056	PYNWQICKVFMNQB-MGVQOFIGSA-N	220.652	0.207	50	1	BCGF	
CCOc1ccc(C2=NO[C@H](C(=O)NN)C2)cc1	103254192	KUUUXHNKYMFSBT-NSHDSACASA-N	249.270	0.568	50	1	BCGF	
O=C(C=CCCl)O[C@@H]1COC(=O)C1	2356635167	UINAZEUJWWJECT-LURJTMIESA-N	204.609	0.640	50	1	BCGF	
CO[C@@H]1OC=C(C=O)[C@H]2C[C@H](O)[C@H](C)[C@H]21	238735498	COYFDKDZYZEKML-WAWIWLGASA-N	212.245	0.705	50	1	BCGF	
N#CC(C#N)=Cc1ccc(S(=O)(=O)O)o1	13822301	LLPRRMGWDXUHKP-UHFFFAOYSA-N	224.197	0.957	50	1	BCGF	
C[C@H]1OC(=O)/C=C\[C@H](O)/C=C\[C@@H](Cl)[C@H]1O	169292209	IIIFVUMJBALUGH-BTNJNMEKSA-N	232.663	0.373	50	1	BCGF	
N#CSCC(=O)Nc1nncs1	103197303	DDQVNUXLLIQQHF-UHFFFAOYSA-N	200.248	0.691	50	1	BCGF	
O=C1OC(=O)[C@@H]2[C@H]1[C@@H]1C=C(Br)[C@@H]2O1	2356321618	FVOWKKPNGWDRDA-KCDKBNATSA-N	245.028	0.362	50	1	BCGF	
CCCCCC(=O)NC(=S)NNC(=O)CC	4977087	FPOMMIZWGVPDCT-UHFFFAOYSA-N	245.348	0.999	50	3	BCGF	
COC(=O)C[C@H]1C=C[C@](C)(OC)OO1	73294548	MLWTVQDCBPSJKF-VXNVDRBHSA-N	202.206	0.799	50	1	BCGF	
O=C1OC(=O)[C@H]2[C@H]1[C@@H]1C=C(Br)[C@@H]2O1	2356321617	FVOWKKPNGWDRDA-FSIIMWSLSA-N	245.028	0.362	50	1	BCGF	
Cc1c(C(=O)NN)nnn1Nc1ccccc1	42966085	BTKVDKPAGHGOOC-UHFFFAOYSA-N	232.247	0.065	50	1	BCGF	
COC(=O)C[C@@H]1C=C[C@](C)(OC)OO1	73294550	MLWTVQDCBPSJKF-IONNQARKSA-N	202.206	0.799	50	1	BCGF	
CCOc1ccccc1C1=NO[C@H](C(=O)NN)C1	103254188	LIIXPJYBLWARKD-NSHDSACASA-N	249.270	0.568	50	1	BCGF	
CC=C(C=O)[C@H](CC(=O)O)[C@H](C=O)C(=O)OC	2356760051	VLYPJOZZUQGWJT-IUCAKERBSA-N	242.227	0.211	50	1	BCGF	
CS(=O)(=O)N1CC[C@H](CCN=C=S)C1	1857559951	PZZCBUFQSYNISN-QMMMGPOBSA-N	234.346	0.761	50	1	BCGF	
NNC(=O)c1ccc2nc([C@H]3CC[C@@H]3N)[nH]c2c1	587246825	OXNJGNGNXLSHJV-YUMQZZPRSA-N	245.286	0.371	50	1	BCGF	
CC(C)C(=O)N[C@@H]1C(=O)NC2=CSS[C@@H]21	2356742306	IOQZSPIGKWOFCO-BQBZGAKWSA-N	244.341	0.862	50	1	BCGF	
CC(C)C(=O)N[C@H]1C(=O)NC2=CSS[C@H]21	2356742308	IOQZSPIGKWOFCO-RNFRBKRXSA-N	244.341	0.862	50	1	BCGF	
CCCC/C=C/N(NC(C)=O)C(=O)CO	95590865	DYJKDQDOWWFHKQ-VOTSOKGWSA-N	214.265	0.562	50	1	BCGF	
CC(=O)N/N=C(/C)CC(=O)NC(C)(C)C	6013806	SCQCLSVFTOKLDM-GHXNOFRVSA-N	213.281	0.803	50	1	BCGF	
N#CC1=C(N)NC(=O)C[C@H]1c1ccccc1	218841232	QGCHDSKQVJOHGB-VIFPVBQESA-N	213.240	0.984	50	1	BCGF	
Cc1cccc(-n2ncc(C(=O)NN)c2N)c1	101347178	UKABIIREXIANAC-UHFFFAOYSA-N	231.259	0.366	50	1	BCGF	
CO[C@@H]1OC=C(C=O)[C@@H]2CC[C@@](C)(O)[C@H]12	2356404464	OASBBRWVZMHYSY-UKKRHICBSA-N	212.245	0.849	50	1	BCGF	
C/C(C=O)=C/[C@@]1(C)O[C@@H](C)[C@@](C)(O)[C@@H]1O	6040590	YDZGIHHZMNNFMM-URCWOFHRSA-N	214.261	0.421	50	1	BCGF	
NNC(=O)CCCCCCCC(=O)O	1653989	JJBTZOWLFBHYGR-UHFFFAOYSA-N	202.254	0.792	50	1	BCGF	
COC[C@]1(CCl)c2c(cnn2C)CCN1C	963953707	CNKKAGGAWVNIPC-LLVKDONJSA-N	243.738	0.989	50	1	BCGF	
C[C@@H](O)[C@H](Cl)/C=C1/C(=O)O[C@H](C)[C@@H]1O	14924088	PYNWQICKVFMNQB-CIXNUXDNSA-N	220.652	0.207	50	1	BCGF	
O=C(O)/C(Cl)=C/C(=O)[C@H](Cl)C(=O)O	62241071	PLPVRWUZGSFJJB-XDSMRRFISA-N	226.999	0.455	50	1	BCGF	in-vitro
CN(C)/C=C(\C#N)C(=O)Nc1nncs1	103197296	ZBTRHSYAGFKELX-GQCTYLIASA-N	223.261	0.446	50	1	BCGF	
NNC(=O)c1c(C(F)(F)F)nc2ccccn12	101343692	PQMCWNCNJKXMGO-UHFFFAOYSA-N	244.176	0.957	50	1	BCGF	
C/C(C=O)=C\[C@]1(C)O[C@H](C)[C@](C)(O)[C@H]1O	33955344	YDZGIHHZMNNFMM-NWUITSLLSA-N	214.261	0.421	50	1	BCGF	
C[C@@H]1OC(=O)C([C@@H](Cl)[C@H](C)O)=C[C@H]1O	2356765288	IIYOOZPJDRONSJ-MGVQOFIGSA-N	220.652	0.207	50	1	BCGF	
NC(=O)c1[nH]cnc1/N=N/N(CCCl)N=O	27887397	UMVMKFQRTYDZRR-VAWYXSNFSA-N	245.630	0.730	50	1	BCGF	
ClC[Si]12CCON(CCO1)CCO2	195344892	GHGRMWUJLGQQTN-UHFFFAOYSA-N	223.732	0.501	50	1	BCGF	
C/C=C(\C=O)[C@@H]1CC(=O)OC=C1C(=O)OC	15150281	TXTINTVPMBCGKO-DKCNVOGISA-N	224.212	0.752	50	1	BCGF	endogenous,in-man
Cn1cc(C(=O)Cl)cc1/C=C/C(=O)NO	42920554	MGIATOVLCOCJOP-NSCUHMNNSA-N	228.635	0.923	50	1	BCGF	
C[Si]1(C)OB(O)c2cccc(Cl)c21	1857593603	RGJMGODZUBYFJG-UHFFFAOYSA-N	212.517	0.470	50	1	BCGF	
NC(=O)[C@H]1CCCN1C(=O)N(CCCl)N=O	5600243	ZOBZYPPNZPDEHJ-ZCFIWIBFSA-N	248.670	0.278	50	1	BCGF	
O[C@@H](CCl)CN1CC[N+]2(CCCC2)CC1	29322066	KWQKJQQUBSWSEO-NSHDSACASA-N	233.763	0.512	50	1	BCGF	
O=C1OC(=O)[C@@]23CCC[C@]12[C@H]1CC[C@H]3O1	253633932	PEKHINVAKVDWJS-QPYBSBGSSA-N	208.213	0.788	50	1	BCGF	
CCOC(=O)C(=[N+]=[N-])C(=O)CSC#N	5924347	IYRXPRWWLVFITN-UHFFFAOYSA-N	213.218	0.004	50	1	BCGF	
CO[C@@H]1C[C@]2(CCC(C=O)=C[C@@H]2O)[C@H](OC)O1	238755165	MOOHGKGNFMULIH-YFKTTZPYSA-N	242.271	0.618	50	1	BCGF	
CC1=C[C@H]([C@H](O)[C@H](O)[C@@H](C)Cl)OC1=O	2356722630	LXHYBBQOYKTFIL-XUTVFYLZSA-N	220.652	0.207	50	1	BCGF	
CN1CCCC[C@H](NC(=O)CCCl)C1=O	199262168	ALCQAYFLDDBPEU-QMMMGPOBSA-N	232.711	0.742	50	3	BCGF	
CC(=O)N/N=C\c1ccc(NC(C)=O)o1	238762083	FLLTYQLFHYYDGU-YHYXMXQVSA-N	209.205	0.708	50	1	BCGF	
COC[C@@]1(CCl)c2c(cnn2C)CCN1C	963953708	CNKKAGGAWVNIPC-NSHDSACASA-N	243.738	0.989	50	1	BCGF	
Cc1ccc(-n2ncc(C(=O)NN)c2N)c(C)c1	101347193	WHAXJQPTEHQMMF-UHFFFAOYSA-N	245.286	0.675	50	1	BCGF	
CC=C(C=O)C(CC(=O)O)CC(=O)O	2356285720	IVZLDVMNNVAWDA-UHFFFAOYSA-N	200.190	0.697	50	1	BCGF	
COC(=O)[C@@H]1C[C@H]2CC(=NNC(N)=O)C[C@H]2C1	254201082	TVEGTLURDKVUIX-JIGDXULJSA-N	239.275	0.620	50	1	BCGF	
Nc1nc(O)c2nc(CBr)[nH]c2n1	586972107	GPDCTYQAJSGRSL-UHFFFAOYSA-N	244.052	0.536	50	1	BCGF	
CC(C=O)=C[C@]1(C)O[C@H](C)[C@](C)(O)[C@H]1O	2356653016	YDZGIHHZMNNFMM-RCWTZXSCSA-N	214.261	0.421	50	1	BCGF	
COC(=O)C1C[C@H]2CC(=NNC(N)=O)C[C@H]2C1	17176831	TVEGTLURDKVUIX-DHBOJHSNSA-N	239.275	0.620	50	1	BCGF	
C[C@H](O)[C@H](Cl)C=C1C(=O)O[C@H](C)[C@@H]1O	2356686054	PYNWQICKVFMNQB-LAHCRNKXSA-N	220.652	0.207	50	1	BCGF	
O=C1C=CC=C/C1=C\NNC(=O)C1CC1	4805023	QWQCCBQUHXLBOU-VQHVLOKHSA-N	204.229	0.596	50	3	BCGF	
N[C@@H](Br)c1cc(=O)c(O)co1	169316087	WFNSFFWONFBNHK-ZCFIWIBFSA-N	220.022	0.698	50	1	BCGF	
C[C@H](Cl)C(=O)NNC(=O)c1ccncc1	103170644	NRNSLTHMFYLYAA-LURJTMIESA-N	227.651	0.470	50	1	BCGF	
C[C@@H](O)C[N+](C)(C)CI	13822365	DITNCIWAVBNKBH-ZCFIWIBFSA-N	244.096	0.836	50	1	BCGF	
CC(=O)N/N=C1\CC2(CCNCC2)O[C@@H]1C	26502889	LASQBHQOHAFPRA-OATQHOELSA-N	225.292	0.410	50	1	BCGF	
Oc1ncnc2[nH]c(CBr)nc12	586972555	WOFNXOQXUWUSCL-UHFFFAOYSA-N	229.037	0.953	50	1	BCGF	
CNC(=O)CSP(=S)(OC)OC	2041343	MCWXGJITAZMZEV-UHFFFAOYSA-N	229.263	0.983	50	1	BCGF	
N#CC1=C(C#N)/C(=C(\C#N)C(C#N)C#N)N=C1N	101320559	ILGMCWNNRFGQGR-YFHOEESVSA-N	233.194	0.142	50	1	BCGF	
CC(=O)NCC[S@@](=O)CCCCN=C=S	1857580679	BOJKSQXPGRFZST-HNNXBMFYSA-N	248.373	0.754	50	1	BCGF	
CC(=O)N[C@H](C(=O)OCCCl)C(C)C	169334358	ZAQGGYCYIDSYGY-QMMMGPOBSA-N	221.684	0.929	50	1	BCGF	
O=C(NN/C=C1/C=CC=N1)c1cccnc1	13126229	UDBACFCWMYBIIT-NTMALXAHSA-N	214.228	0.798	50	3	BCGF	
Cc1c(O)n[nH]c1C(=O)N/N=C/c1ccco1	4640729	PNPQAUMWVGYNGA-VZUCSPMQSA-N	234.215	0.781	50	1	BCGF	
O=C1OC[C@@H]2C[C@@H](Br)[C@H](O)C[C@H]12	103214016	KHADWIKIDCQYSF-VWDOSNQTSA-N	235.077	0.694	50	1	BCGF	
CCC(=O)N[C@@H]1C(=O)NC2=CSS[C@@H]21	2356429481	WAYBAXDAQZLSTG-BQBZGAKWSA-N	230.314	0.616	50	1	BCGF	
N#CC1=C(N)NC(=O)C[C@@H]1c1ccccc1	218841310	QGCHDSKQVJOHGB-SECBINFHSA-N	213.240	0.984	50	1	BCGF	
CC=CC1=CC(=O)[C@@H](Cl)[C@@]1(O)C(=O)O	2356697576	VJCBQWOBSICVHH-VXNVDRBHSA-N	216.620	0.495	50	1	BCGF	
O=C(CBr)COP(=O)(O)O	5112721	QXVSTTOPPFAZGJ-UHFFFAOYSA-N	232.954	0.060	50	1	BCGF	in-vitro
N#CC(C#N)=C(C(C#N)C#N)C(C#N)C#N	5500527	WBOFCAJJDIYFGQ-UHFFFAOYSA-N	206.168	0.657	50	1	BCGF	
C[C@@H]1OC(=O)C(=C[C@@H](Cl)[C@H](C)O)[C@@H]1O	2356686053	PYNWQICKVFMNQB-DGCAKLBHSA-N	220.652	0.207	50	1	BCGF	
CO[C@@H]1OC=C(C=O)[C@@H]2CC[C@](C)(O)[C@@H]12	2356404465	OASBBRWVZMHYSY-ZDCRXTMVSA-N	212.245	0.849	50	1	BCGF	
C[C@@H]1OC(=O)C=C[C@H](O)C=C[C@@H](Cl)[C@@H]1O	2356594773	IIIFVUMJBALUGH-OKJYPTKPSA-N	232.663	0.373	50	1	BCGF	
N[C@@H](CCSSCCC(=O)O)C(=O)O	35785234	LTJTUMUVEJTCJZ-YFKPBYRVSA-N	239.318	0.645	50	1	BCGF	
CCOC(=O)/C(N=O)=C(\C)NNC(C)=O	13125146	WSCWLBBCLYBNGT-ALCCZGGFSA-N	215.209	0.188	50	3	BCGF	
CCN1C(=O)[C@H]2SS[C@@H]1C(=O)N2CC	26579777	SQMGCRQPKBFENJ-HTQZYQBOSA-N	232.330	0.744	50	1	BCGF	
CCO/C(O)=C(/C#N)c1ccnc(O)n1	102354945	YULQOFDEMZMBBM-VURMDHGXSA-N	207.189	0.969	50	1	BCGF	
CC=C(C=O)[C@H](CC(=O)O)[C@@H](C=O)C(=O)OC	2356760049	VLYPJOZZUQGWJT-DTWKUNHWSA-N	242.227	0.211	50	1	BCGF	
COC(=O)C[C@@H](O)COC(=O)C=CCCl	2356545186	GLWKWBIUIXELQR-SSDOTTSWSA-N	236.651	0.249	50	1	BCGF	
CC(C)C(=O)N[C@H]1C(=O)NC2=CSS[C@@H]21	238756313	IOQZSPIGKWOFCO-RQJHMYQMSA-N	244.341	0.862	50	1	BCGF	
O=S(=O)(CBr)OCCCl	1576601	WIHDTUIYKADSFU-UHFFFAOYSA-N	237.502	0.924	50	1	BCGF	
Oc1nncc2nc(CBr)[nH]c12	586972213	JYWQDQAFIPGQRU-UHFFFAOYSA-N	229.037	0.953	50	1	BCGF	
COc1ccc(C2=NO[C@H](C(=O)NN)C2)cc1	546241	WMHUFBCKPWLYLF-JTQLQIEISA-N	235.243	0.178	50	1	BCGF	
O=C1CC[C@@H](C(=O)N/N=C/c2ccccc2O)N1	1911584111	VJVUQMNETVCWKL-PBJWJZLWSA-N	247.254	0.121	50	1	BCGF	
C/C=C(/C=O)[C@H](CC(=O)O)[C@@H](C=O)C(=O)OC	36468077	VLYPJOZZUQGWJT-LBGXYMLMSA-N	242.227	0.211	50	1	BCGF	
C[n+]1ccn(CCBr)c1/C=N/O	28770926	JGMNQQVIALPLIN-UHFFFAOYSA-O	233.089	0.516	50	1	BCGF	
Nc1nc(O)c2nc([C@@H](Cl)CCl)[nH]c2n1	587008471	PAHMRXANYVBMEL-REOHCLBHSA-N	248.073	1.159	50	1	BCGF	
CCC[C@@H]1CCc2n[nH]c(C(=O)NN)c2C1	36387416	WRCCTRXGCPABER-SSDOTTSWSA-N	222.292	0.918	50	3	BCGF	in-vitro
O=P12O[Si]3(O1)OP(=O)(O3)O2	238809549	VYDNCCLNAHRIST-UHFFFAOYSA-N	202.027	0.762	50	1	BCGF	
CC=C(C=O)[C@@H](CC(=O)O)[C@@H](C=O)C(=O)OC	2356760053	VLYPJOZZUQGWJT-RKDXNWHRSA-N	242.227	0.211	50	1	BCGF	
CC(=O)N/N=C1\CC2(CCNCC2)O[C@H]1C	26502886	LASQBHQOHAFPRA-NGHKRQAXSA-N	225.292	0.410	50	1	BCGF	
CC12OOC(C)(OO1)C2CCC(=O)O	95557033	WXELNMMAWLJWRC-UHFFFAOYSA-N	204.178	0.823	50	1	BCGF	
CO[C@@H]1C[C@]2(CCC(C=O)=C[C@@H]2O)[C@@H](OC)O1	2356420040	MOOHGKGNFMULIH-BJDJZHNGSA-N	242.271	0.618	50	1	BCGF	
CC[C@H](O)[C@@H]1C[C@H](CC=CC=O)C(=O)O1	2356473012	QMFWASKOALFPBQ-GUBZILKMSA-N	212.245	0.834	50	1	BCGF	
O=C(O)/C(Cl)=C/C(=O)[C@@H](Cl)C(=O)O	62241073	PLPVRWUZGSFJJB-HYLWAGPFSA-N	226.999	0.455	50	1	BCGF	in-vitro
C/C=C(\C=O)C(CC(=O)OC)CC(=O)OC	238754137	XAZACPHRIYKCIM-XBXARRHUSA-N	228.244	0.874	50	1	BCGF	
CC1=C[C@H]([C@H](O)[C@@H](O)[C@@H](C)Cl)OC1=O	2356722628	LXHYBBQOYKTFIL-NGJRWZKOSA-N	220.652	0.207	50	1	BCGF	
O=CNN/C=C1\C(=O)C=Cc2ccccc21	13130032	IHSNKGUFWWTIBO-XFFZJAGNSA-N	214.224	0.874	50	3	BCGF	
CS(=O)(=O)N1CC[C@@H](CCN=C=S)C1	1857559950	PZZCBUFQSYNISN-MRVPVSSYSA-N	234.346	0.761	50	1	BCGF	
C[C@@H](Cl)C(=O)NNC(=O)c1ccncc1	103170645	NRNSLTHMFYLYAA-ZCFIWIBFSA-N	227.651	0.470	50	1	BCGF	
O=C(N/N=C/c1ccccc1O)c1ncccn1	1857564785	KBICTQDMURZYRW-OVCLIPMQSA-N	242.238	0.946	50	1	BCGF	
C[C@H](NC=O)C(=O)Oc1ccc([N+](=O)[O-])cc1	169335774	NYTSANSKMMLPMC-ZETCQYMHSA-N	238.199	0.635	50	1	BCGF	
CC=CC1=CC(=O)[C@@H](Cl)[C@]1(O)C(=O)OC	2356544884	HSATYRFYDXEDDB-SCZZXKLOSA-N	230.647	0.583	50	1	BCGF	
O[C@H](CCl)CN1CC[N+]2(CCCC2)CC1	29322071	KWQKJQQUBSWSEO-LLVKDONJSA-N	233.763	0.512	50	1	BCGF	
O=C(Cl)/C=C(\C=C(/O)C(=O)O)C(=O)O	62239650	RCOPGPSOOZZYBB-NAOWAUKJSA-N	220.564	0.289	50	1	BCGF	in-vitro
C[C@@H]1OC(=O)C=C[C@H](O)C=C[C@H](Cl)[C@@H]1O	2356594794	IIIFVUMJBALUGH-PYHGXSLLSA-N	232.663	0.373	50	1	BCGF	
NNC(=O)/N=C1\C(=O)Nc2ccccc21	169697444	HYOUODSLCVIIAR-UHFFFAOYSA-N	204.189	0.011	50	1	BCGF	
C/C=C(\C=O)[C@H](CC(=O)O)[C@@H](C=O)C(=O)OC	116553588	VLYPJOZZUQGWJT-GPEYXKODSA-N	242.227	0.211	50	1	BCGF	
CC1(C)S[C@@H]2[C@H](Cl)C(=O)N2[C@H]1C(=O)O	13379208	FGXVGRSQPYWLRS-ALEPSDHESA-N	235.692	0.741	50	1	BCGF	
CO[C@@H]1OC=C(C=O)[C@@H]2CC[C@](C)(O)[C@H]12	2356404463	OASBBRWVZMHYSY-MMWGEVLESA-N	212.245	0.849	50	1	BCGF	
O=C(O)CCOCCI	29411535	KANNEOKUJLGTKH-UHFFFAOYSA-N	244.028	0.913	50	1	BCGF	
N#CC(C#N)=CN1CCN(C=C(C#N)C#N)CC1	43100192	WEPGXQYXQQXWNO-UHFFFAOYSA-N	238.254	0.466	50	1	BCGF	
NNC(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)no1	957895633	XEBBRCUVLUTSGR-UHFFFAOYSA-N	249.186	0.248	50	1	BCGF	
CO[C@@H]1C[C@]2(CCC(C=O)=C[C@H]2O)[C@H](OC)O1	2356420041	MOOHGKGNFMULIH-KXNHARMFSA-N	242.271	0.618	50	1	BCGF	
C[C@@H](Cl)C(=O)n1cnc2c(O)ncnc21	169324925	YXZBZPYDRAPKPQ-SCSAIBSYSA-N	226.623	0.799	50	1	BCGF	
COC(=O)N/N=C/c1ccc2c(c1)no[n+]2[O-]	103283220	QJYZJQZMQLLVLF-BJMVGYQFSA-N	236.187	0.151	50	1	BCGF	
O=c1[nH]c(=O)n([C@H]2OCC[C@@H]2Cl)cc1F	1438493	AAHZYBLNBHHSRG-FFWSUHOLSA-N	234.614	0.202	50	1	BCGF	
CC1=C[C@H]([C@H](O)[C@H](O)[C@H](C)Cl)OC1=O	2356722629	LXHYBBQOYKTFIL-OSMVPFSASA-N	220.652	0.207	50	1	BCGF	
O=C1C=C/C(=C\NNC(=O)C2CC2)C(O)=C1	13118971	HSMVYFOVQPLANL-SOFGYWHQSA-N	220.228	0.482	50	3	BCGF	
O=C1OCC/C1=N/NC(=O)c1cccnc1	169689331	BMBWMNXPICZOMK-WQLSENKSSA-N	219.200	0.114	50	1	BCGF	
NNNC(=O)C=Cc1ccccc1[N+](=O)[O-]	2356861799	AKLADKOJDADCEL-UHFFFAOYSA-N	222.204	0.103	50	1	BCGF	
COc1ncc(C=C(C#N)C#N)c(OC)n1	1657790	PDEKCYUBNQNKAO-UHFFFAOYSA-N	216.200	0.924	50	1	BCGF	
O=C1OC(=O)[C@]23CCC[C@@]12[C@@H]1CC[C@@H]3O1	169289777	PEKHINVAKVDWJS-JRPBRRGXSA-N	208.213	0.788	50	1	BCGF	
CC(C)C[C@H]1NC(=O)[C@]2(OO)CCCN2C1=O	2356843628	NNPWPZGBFIMYHW-LDYMZIIASA-N	242.275	0.339	50	1	BCGF	
O=C1OC(=O)[C@@]23CSC[C@@]12[C@H]1C=C[C@H]3O1	105500511	LPBLWAOIBKPJOX-QLSQZMLOSA-N	224.237	0.127	50	1	BCGF	
C[S@](=O)CCN(N=O)C(=O)NCCCl	28765342	GZJSXGSHNZUPJZ-CQSZACIVSA-N	241.700	0.297	50	1	BCGF	
C[C@@H](O)/C=C/C1(O)[C@]2(C)CC(=O)C[C@@]1(C)OO2	95910828	AXYVMSATLCNYCX-PNQPBENJSA-N	242.271	0.497	50	1	BCGF	biogenic,in-vitro
C1CC2(CCO1)OOC1(CCOCC1)OO2	44351319	LYJDBPNRRBWAKK-UHFFFAOYSA-N	232.232	0.910	50	1	BCGF	
CC=C(C=O)[C@@H](CC(=O)O)CC(=O)OC	2356574299	USBRZMAIEUDVTA-QMMMGPOBSA-N	214.217	0.786	50	1	BCGF	
O=C(NO)N/N=C/c1ccc2c(c1)OCCO2	27413224	NULOZZGWPNSVPC-IZZDOVSWSA-N	237.215	0.480	50	1	BCGF	
C[S@@](=O)CCN(N=O)C(=O)NCCCl	28765340	GZJSXGSHNZUPJZ-AWEZNQCLSA-N	241.700	0.297	50	1	BCGF	
O=C(N/N=C/c1ccc(CO)o1)c1ccncc1	1857650030	OHXDUTGPSYLLMG-VGOFMYFVSA-N	245.238	0.931	50	1	BCGF	
CC1(C)OC[C@@H](O)[C@H](Br)CO1	5741916	XRMJIYPEOLDAGW-PHDIDXHHSA-N	225.082	0.894	50	1	BCGF	
N[C@@H](CC(/C=C\O)=C/C=C/OO)C(=O)O	103558813	AMEKAKFJYGGFTQ-CUHRNEJYSA-N	215.205	0.790	50	1	BCGF	in-vitro
CC(C)C(=O)N[C@@H]1C(=O)NC2=CSS[C@H]21	2356742307	IOQZSPIGKWOFCO-NKWVEPMBSA-N	244.341	0.862	50	1	BCGF	
CC=CC1=CC(=O)[C@H](Cl)[C@@]1(O)C(=O)OC	2356544885	HSATYRFYDXEDDB-WCBMZHEXSA-N	230.647	0.583	50	1	BCGF	
C=C1C(=O)O[C@@H]2CC[C@H](CCl)[C@]12O	1772594272	RUJYBJWZTOZRAA-ZXFLCMHBSA-N	202.637	0.848	50	1	BCGF	
N=c1[nH]cc2nc(CBr)nc-2[nH]1	586972450	RMXIHMLIRMKGLU-UHFFFAOYSA-N	228.053	0.612	50	1	BCGF	
COc1cc([C@H](O)COO)ccc1O	2356330479	KQPSVSXANLIDAW-MRVPVSSYSA-N	200.190	0.924	50	1	BCGF	
C[C@@H]1OC2(CCN(C)CC2)C/C1=N\NC(N)=O	26506093	BRBMAGNSYPWYAZ-AXPYHWFSSA-N	240.307	0.284	50	1	BCGF	
CC(C=O)=C[C@]1(C)O[C@H](C)[C@](C)(O)[C@@H]1O	2356653018	YDZGIHHZMNNFMM-ZNSHCXBVSA-N	214.261	0.421	50	1	BCGF	
COc1ccc(/C=N/NC(=O)NO)cc1	27414873	VHRIXQCTILRJNC-UXBLZVDNSA-N	209.205	0.718	50	1	BCGF	
O=c1[nH]c(=O)n([C@@H]2OCC[C@H]2Cl)cc1F	1438494	AAHZYBLNBHHSRG-CLZZGJSISA-N	234.614	0.202	50	1	BCGF	
CO[C@@H]1OC=C(C=O)[C@H]2CC[C@](C)(O)[C@H]21	238788202	OASBBRWVZMHYSY-DBIOUOCHSA-N	212.245	0.849	50	1	BCGF	
Cn1c(C(C)(C)OC(=O)NN)cnc1[N+](=O)[O-]	33855158	HAUAUBDMIPKBFI-UHFFFAOYSA-N	243.223	0.163	50	1	BCGF	
Cc1c(C(=O)N/N=C/c2ccccc2)no[n+]1[O-]	95590176	RBOFRKNORZWPPV-KPKJPENVSA-N	246.226	0.380	50	1	BCGF	
O=C1O[C@@H]2[C@H]3C[C@H]([C@@H](C(=O)O)[C@@H]13)[C@H]2Cl	13146667	ZCJNJGNVUGMXST-YXVPSNDASA-N	216.620	0.486	50	1	BCGF	
CCCCNC(=O)N/N=C/c1no[n+]([O-])c1C	29559988	QZPODNGCPFGXIG-IZZDOVSWSA-N	241.251	0.050	50	1	BCGF	
CC(C)C[C@@H](NC(=O)[C@H](C)CS)B(O)O	1857597217	SITGXABKUNMKGV-HTQZYQBOSA-N	233.142	0.095	50	1	BCGF	
CN1CCCC[C@H](NC(=O)CCl)C1=O	199261592	YFJVJUNFEWNNQL-ZETCQYMHSA-N	218.684	0.352	50	3	BCGF	
CC=C(C=O)[C@H]1CC(=O)OC=C1C(=O)OC	2356563232	TXTINTVPMBCGKO-MRVPVSSYSA-N	224.212	0.752	50	1	BCGF	
Cc1ccc(C)c(-n2ncc(C(=O)NN)c2N)c1	101347191	IPAQVOLQDLESJN-UHFFFAOYSA-N	245.286	0.675	50	1	BCGF	
N[C@H](CCl)c1nc2c(O)nc(S)nc2[nH]1	587010967	PDAAJXOSLIVQHG-UWTATZPHSA-N	245.695	0.586	50	1	BCGF	
O=C(CCl)N[C@@H](Cc1ccco1)C(=O)O	103186427	VZSDWEOYCUKPFD-ZETCQYMHSA-N	231.635	0.630	50	1	BCGF	
O=C1OC(=O)[C@]23CCC[C@]12[C@H]1CC[C@H]3O1	253633928	PEKHINVAKVDWJS-CCXSFMJYSA-N	208.213	0.788	50	1	BCGF	
COc1cccc(/C=N/NC(=O)NO)c1	27418107	BYAQJJZQWVUAHI-UXBLZVDNSA-N	209.205	0.718	50	1	BCGF	
CSC(=S)NNC(=O)c1ccccn1	169335723	ZIGVPOPMJMGWHP-UHFFFAOYSA-N	227.314	0.964	50	1	BCGF	
O=c1[nH]c(=O)n([C@@H]2OCC[C@@H]2Cl)cc1F	1438492	AAHZYBLNBHHSRG-MHTLYPKNSA-N	234.614	0.202	50	1	BCGF	
O=C(CCl)N[C@H](Cc1ccco1)C(=O)O	103186428	VZSDWEOYCUKPFD-SSDOTTSWSA-N	231.635	0.630	50	1	BCGF	
CO[C@H](CBr)c1c[nH]c(=O)[nH]c1=O	64348917	YCBFIWSTJILEQQ-RXMQYKEDSA-N	249.064	0.146	50	1	BCGF	
CO[C@@H]1OC=C(C=O)[C@@H]2CC[C@@](C)(O)[C@@H]12	2356404462	OASBBRWVZMHYSY-LNFKQOIKSA-N	212.245	0.849	50	1	BCGF	
N#CCCC[Si]12OCCN(CCO1)CCO2	195482265	CGPZMTAMGCNLFK-UHFFFAOYSA-N	242.351	0.608	50	1	BCGF	
CCOC(=O)CNC(SC)=C(C#N)C#N	5502014	HNMSYFJYQTWLMW-UHFFFAOYSA-N	225.273	0.761	50	1	BCGF	
C/C(=N\NC(=O)CC#N)c1c(O)cc(C)oc1=O	17176559	BBARAQORVYDTER-NTUHNPAUSA-N	249.226	0.408	50	1	BCGF	
O=C(O)CC[C@H](CP(O)OO)C(=O)O	103590591	HKANXFJUBKMWSW-IFLUAJSTSA-N	226.121	0.346	50	1	BCGF	investigational
C[C@H]1OC2(CCN(C)CC2)C/C1=N/NC(N)=O	13741176	BRBMAGNSYPWYAZ-MZTZJWPHSA-N	240.307	0.284	50	1	BCGF	
CN[C@@H]1CCN(c2cc(CCl)nc(N)n2)C1	299839634	SUPRSYZGGWQBDA-SSDOTTSWSA-N	241.726	0.596	50	1	BCGF	
CN1CCCC[C@@H](NC(=O)CCCl)C1=O	199262188	ALCQAYFLDDBPEU-MRVPVSSYSA-N	232.711	0.742	50	3	BCGF	
CC=CC1=CC(=O)[C@H](Cl)[C@]1(O)C(=O)OC	2356544886	HSATYRFYDXEDDB-WPRPVWTQSA-N	230.647	0.583	50	1	BCGF	
COC(=O)N/N=C\c1ccc2c(c1)no[n+]2[O-]	103289878	QJYZJQZMQLLVLF-YHYXMXQVSA-N	236.187	0.151	50	1	BCGF	
CCOC(=O)N/N=C\C=N/NC(=O)OCC	101744424	OWWLZBADQNQNDJ-OZDSWYPASA-N	230.224	0.450	50	1	BCGF	
CC(C)C[C@@H]1NC(=O)[C@@]2(OO)CCCN2C1=O	2356843627	NNPWPZGBFIMYHW-KWQFWETISA-N	242.275	0.339	50	1	BCGF	
CCC(=O)N[C@@H]1C(=O)NC2=CSS[C@H]21	2356429482	WAYBAXDAQZLSTG-NKWVEPMBSA-N	230.314	0.616	50	1	BCGF	
Cc1cc(C(=O)NN/C=C2/C=CC=N2)no1	13118970	VBOABWDJZCIRIH-VURMDHGXSA-N	218.216	0.699	50	3	BCGF	
CC[C@H](O)[C@H]1C[C@@H](CC=CC=O)C(=O)O1	2356473013	QMFWASKOALFPBQ-KXUCPTDWSA-N	212.245	0.834	50	1	BCGF	
N[C@@H]1[C@@H](Br)C[C@H](C(=O)O)[C@@H]1F	13805316	RKFYJCXXWGBUAQ-NEEWWZBLSA-N	226.045	0.520	50	1	BCGF	
C[C@H](O)[C@H](Cl)C1=C[C@@H](O)[C@@H](C)OC1=O	2356765287	IIYOOZPJDRONSJ-LAHCRNKXSA-N	220.652	0.207	50	1	BCGF	
Cc1cc(C(=O)NN/C=C2/C=CC=N2)n[nH]1	13118994	XVGMGWWIUQSOFJ-VURMDHGXSA-N	217.232	0.435	50	3	BCGF	
COc1ccc(-n2nc(C)cc2C(=O)NN)cc1	957993441	KKAWHMOICAQLPO-UHFFFAOYSA-N	246.270	0.793	50	1	BCGF	
CCCC/C=C\N(NC(C)=O)C(=O)CO	205945433	DYJKDQDOWWFHKQ-SREVYHEPSA-N	214.265	0.562	50	1	BCGF	
Nc1nccc2nc([C@H](N)CCl)[nH]c12	587012791	ZNSYXJYSHXTMFP-SCSAIBSYSA-N	211.656	0.779	50	1	BCGF	
NC(=O)CCCNC(=O)N(CCCl)N=O	27985069	APXQNOMPZMXOSF-UHFFFAOYSA-N	236.659	0.184	50	1	BCGF	
C[C@@H]1OC(=O)C=C[C@H](O)C=C[C@H](Cl)[C@H]1O	2356594772	IIIFVUMJBALUGH-ODHVRURNSA-N	232.663	0.373	50	1	BCGF	
CC=C(C=O)[C@H](CC(=O)O)CC(=O)OC	2356574298	USBRZMAIEUDVTA-MRVPVSSYSA-N	214.217	0.786	50	1	BCGF	
CC(=O)NN(C)C(=O)NCc1ccccc1	29244748	WGNVZNQXZPXDLJ-UHFFFAOYSA-N	221.260	0.879	50	1	BCGF	
O=C1C=CC([N+](=O)[O-])=C/C1=C\NNC(=O)C1CC1	13126667	RSJOVZMDNZLCEG-SOFGYWHQSA-N	249.226	0.201	50	3	BCGF	
CC[C@H](O)c1nc2ccc(C(=O)NN)cc2[nH]1	586900397	JEMFMOVTFCULSD-VIFPVBQESA-N	234.259	0.610	50	1	BCGF	
C[C@H](O)[C@H](Cl)/C=C1/C(=O)O[C@@H](C)[C@@H]1O	257518093	PYNWQICKVFMNQB-HCQPILNWSA-N	220.652	0.207	50	1	BCGF	
Nc1ncnc2[nH]c([C@H](N)CCl)nc12	587010506	KZHGGOTVJKEIFR-GSVOUGTGSA-N	212.644	0.174	50	1	BCGF	
NNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12	84758540	LUOYQSOAWFOYQH-UHFFFAOYSA-N	248.198	0.040	50	1	BCGF	
O=C(NO)N/N=C/c1cccc([N+](=O)[O-])c1	27414860	PALMYXBPHFTWEW-WEVVVXLNSA-N	224.176	0.617	50	1	BCGF	
N[C@@H](Cc1cn(OO)c2ccccc12)C(=O)O	98209458	STOHYHPMXPRWTJ-VIFPVBQESA-N	236.227	0.497	50	1	BCGF	in-vivo
NC(=O)[C@@H]1CCCN1C(=O)N(CCCl)N=O	5600381	ZOBZYPPNZPDEHJ-LURJTMIESA-N	248.670	0.278	50	1	BCGF	
CC(C)C[C@H]1NC(=O)[C@@]2(OO)CCCN2C1=O	2356843626	NNPWPZGBFIMYHW-KCJUWKMLSA-N	242.275	0.339	50	1	BCGF	
Cc1nonc1C(=O)NNC=C1C=CC(=O)C=C1	13126621	ALWPGLKTJUOMRW-UHFFFAOYSA-N	246.226	0.191	50	3	BCGF	
CC=CC1=CC(=O)[C@H](Cl)[C@@]1(O)C(=O)O	2356697574	VJCBQWOBSICVHH-IONNQARKSA-N	216.620	0.495	50	1	BCGF	
C/C(=C/C(=O)[C@@H](Cl)C(=O)O)C(=O)O	85599427	MSSBQQMQTYJNHE-RLUJCOFPSA-N	206.581	0.278	50	1	BCGF	in-vitro
O=C(N/N=C/c1ccc(CO)o1)c1ccccn1	95808991	SEIIBFQRMJDNKR-VGOFMYFVSA-N	245.238	0.931	50	1	BCGF	
CC1(C)C(C=O)=CC(=O)C2=C1SCC(=O)N2	238755320	UFDKRVGOFNARBJ-UHFFFAOYSA-N	237.280	0.795	50	1	BCGF	
C[C@H]1OC(=O)C=C[C@H](O)C=C[C@@H](Cl)[C@H]1O	299808058	IIIFVUMJBALUGH-DQUBFYRCSA-N	232.663	0.373	50	1	BCGF	
COC(=O)N/N=C(\C)c1c(O)cc(C)oc1=O	17176555	NKPMGLSEEIIXLP-IZZDOVSWSA-N	240.215	0.734	50	1	BCGF	
COc1cc([C@@H](O)COO)ccc1O	2356330481	KQPSVSXANLIDAW-QMMMGPOBSA-N	200.190	0.924	50	1	BCGF	
CC#Cc1nc2ccc(C(=O)NN)cc2[nH]1	587953647	PFLRIXYPWBNYST-UHFFFAOYSA-N	214.228	0.538	50	1	BCGF	
C[C@H]1OC(=O)C=C[C@H](O)C=C[C@H](Cl)[C@H]1O	299808059	IIIFVUMJBALUGH-ODXREFDESA-N	232.663	0.373	50	1	BCGF	
COc1ccc(/C=N/NC(=O)NO)c(O)c1	27416043	WPGHQLIKQOMOKE-BJMVGYQFSA-N	225.204	0.423	50	1	BCGF	
C[C@H]1OC(=O)/C=C/[C@H](O)/C=C\[C@@H](Cl)[C@H]1O	169292211	IIIFVUMJBALUGH-VZTKCFJKSA-N	232.663	0.373	50	1	BCGF	
N[C@H](CCl)c1nc2c(O)nc(O)nc2[nH]1	587010105	GEGRMDGDODETFU-UWTATZPHSA-N	229.627	0.003	50	1	BCGF	
NC(=O)c1ccc2nc([C@H](N)CCl)[nH]c2c1	587010608	LVVGNDQSQLPHIU-ZCFIWIBFSA-N	238.678	0.900	50	1	BCGF	
N#Cc1ccc(/C=N/NC(=O)NO)cc1	27420696	LZSPWRSQVZFHHA-IZZDOVSWSA-N	204.189	0.581	50	1	BCGF	
N[C@H](CO)Cc1cn(OO)c2ccccc12	53683262	WLTOGJLLRPHRCR-VIFPVBQESA-N	222.244	0.405	50	1	BCGF	in-vivo
COC(=O)[C@H]1CC(C=O)=C(SC)N1	31896540	NWUWWIACMRPGEF-ZCFIWIBFSA-N	201.247	0.295	50	1	BCGF	
C=CCN(N=O)C(=O)ON1C(=O)CCC1=O	73333952	NYLVMGGFKIVAOB-UHFFFAOYSA-N	227.176	0.356	50	1	BCGF	
O=C1OC(=O)[C@@H]2[C@H]1[C@H]1O[C@H]2C=C1Br	2356321616	FVOWKKPNGWDRDA-BXKVDMCESA-N	245.028	0.362	50	1	BCGF	
O=C1OC(=O)[C@@]23CCC[C@]12[C@@H]1CC[C@@H]3O1	100754535	PEKHINVAKVDWJS-NIUASQORSA-N	208.213	0.788	50	1	BCGF	
CCCCC=CN(NC(C)=O)C(=O)CO	2356618084	DYJKDQDOWWFHKQ-UHFFFAOYSA-N	214.265	0.562	50	1	BCGF	
C/C=C(\C=O)[C@H]1CC(=O)OC=C1C(=O)OC	15150279	TXTINTVPMBCGKO-HOOMWESVSA-N	224.212	0.752	50	1	BCGF	endogenous,in-man
COC(=O)C[C@@H]1C=C[C@@](C)(OC)OO1	73294552	MLWTVQDCBPSJKF-CBAPKCEASA-N	202.206	0.799	50	1	BCGF	
NNC(=O)c1c[nH]c2cc(F)cc(F)c2c1=O	68135074	GYJMSUQJERRIDZ-UHFFFAOYSA-N	239.181	0.410	50	1	BCGF	
O=C1C=CC(=CNNC(=O)c2ccncc2)C=C1	13130026	SIDUFKKUKZMYCB-UHFFFAOYSA-N	241.250	0.895	50	3	BCGF	
N[C@@H](CC(=C/C=C/OO)/C=C/O)C(=O)O	58638766	AMEKAKFJYGGFTQ-SRDCYAJISA-N	215.205	0.790	50	1	BCGF	in-vitro
COCCCNC(=O)N/N=C/c1ccco1	64924440	PFTCTEHEIRKDBD-XYOKQWHBSA-N	225.248	0.949	50	1	BCGF	
CC[C@H](O)[C@@H]1C[C@@H](C/C=C/C=O)C(=O)O1	14929757	QMFWASKOALFPBQ-GVQKYEPPSA-N	212.245	0.834	50	1	BCGF	
CC(=O)OCC[N+](C)(C)CBr	26147881	ZLLIPXIZQIATCG-UHFFFAOYSA-N	225.106	0.978	50	1	BCGF	
COC(=O)/C(C#N)=C1\CC[C@H](OC)N1C	5722890	HTPAEIDGDCAILW-FLOXNTQESA-N	210.233	0.635	50	1	BCGF	
O=c1[nH]c(=O)n([C@H]2OCC[C@H]2Cl)cc1F	1438495	AAHZYBLNBHHSRG-FBCQKBJTSA-N	234.614	0.202	50	1	BCGF	
C/C=C(/C=O)[C@@H]1CC(=O)OC=C1C(=O)OC	113806369	TXTINTVPMBCGKO-PFPYCLJUSA-N	224.212	0.752	50	1	BCGF	
O=C(C=CCCl)O[C@H]1COC(=O)C1	2356635168	UINAZEUJWWJECT-ZCFIWIBFSA-N	204.609	0.640	50	1	BCGF	
COC(=O)C[C@H]1C=C[C@@](C)(OC)OO1	73294549	MLWTVQDCBPSJKF-APPZFPTMSA-N	202.206	0.799	50	1	BCGF	
C[C@@H](O)/C=C/[C@]1(O)[C@]2(C)CC(=O)C[C@@]1(C)OO2	238785392	AXYVMSATLCNYCX-AAXAUXRISA-N	242.271	0.497	50	1	BCGF	
C[n+]1ccc(C(=O)N/N=C/c2ccco2)cc1	175771	JEGDEVGTQPYDFW-UHFFFAOYSA-O	230.247	0.868	50	3	BCGF	
C[C@H](O)[C@H](Cl)/C=C1/C(=O)O[C@H](C)[C@H]1O	257518095	PYNWQICKVFMNQB-VEFWARCCSA-N	220.652	0.207	50	1	BCGF	
C[C@H](Cl)C(=O)n1cnc2c(O)ncnc21	169324926	YXZBZPYDRAPKPQ-BYPYZUCNSA-N	226.623	0.799	50	1	BCGF	
Oc1nc(O)c2nc(CBr)[nH]c2n1	586972201	JVOXGMYTXDXLOZ-UHFFFAOYSA-N	245.036	0.659	50	1	BCGF	
CCO/C(O)=C(\C#N)c1ccnc(O)n1	100381911	YULQOFDEMZMBBM-SOFGYWHQSA-N	207.189	0.969	50	1	BCGF	
COC(=O)C1C[C@@H]2CC(=NNC(N)=O)C[C@H]2C1	5809876	TVEGTLURDKVUIX-GCJDJSOWSA-N	239.275	0.620	50	1	BCGF	
CC(C)C[C@H](NC(=O)[C@H](C)CS)B(O)O	1857568426	SITGXABKUNMKGV-SFYZADRCSA-N	233.142	0.095	50	1	BCGF	
CC(C)C[C@@H]1NC(=O)[C@]2(OO)CCCN2C1=O	2356843625	NNPWPZGBFIMYHW-GZMMTYOYSA-N	242.275	0.339	50	1	BCGF	
CCCCNC(=O)N/N=C/c1c(C)no[n+]1[O-]	66251216	JAHLTOSUADLNSE-IZZDOVSWSA-N	241.251	0.050	50	1	BCGF	
N[C@@H](Cc1cc(O)c(OO)c(OO)c1)C(=O)O	58638761	RUCJCFAVRFCOCO-YFKPBYRVSA-N	245.187	0.050	50	1	BCGF	in-vitro
C[n+]1ccn(CCOCCCl)c1/C=N/O	28770058	SDUYPJXYSSAMQT-UHFFFAOYSA-O	232.691	0.376	50	1	BCGF	
COc1ccc(C2=NO[C@@H](C(=O)NN)C2)cc1	546240	WMHUFBCKPWLYLF-SNVBAGLBSA-N	235.243	0.178	50	1	BCGF	
CC(C)[C@H](N)c1nc2ccc(C(=O)NN)cc2[nH]1	587258609	HHMQMGKOXUPVFA-JTQLQIEISA-N	247.302	0.822	50	1	BCGF	
COC(=O)C1C[C@H]2CC(=NNC(N)=O)C[C@@H]2C1	5809875	TVEGTLURDKVUIX-WPZUCAASSA-N	239.275	0.620	50	1	BCGF	
N#C/C(=C\c1c(O)cc(O)cc1O)C(N)=O	1625420	QSVJOCQSOCGHOL-ORCRQEGFSA-N	220.184	0.196	50	1	BCGF	
O=CNCC(=O)Oc1ccc([N+](=O)[O-])cc1	145523264	MTRXDBYYOPQFFD-UHFFFAOYSA-N	224.172	0.246	50	1	BCGF	
CC(=O)/C=C(/C)NNC(=O)c1ccncc1	102050627	WZNYFOIMBPPGKP-FPLPWBNLSA-N	219.244	0.809	50	1	BCGF	
Cc1ncc(C(=O)NNC(C)C)c(C)n1	169334299	RAVNXOJRRLQFOD-UHFFFAOYSA-N	208.265	0.736	50	1	BCGF	
N#CCC(=O)N/N=C/c1c[nH]c2ncccc12	1857771622	UKDDENQEIUANJL-VIZOYTHASA-N	227.227	0.927	50	1	BCGF	
O=C(N/N=C/c1cc[n+]([O-])cc1)c1ccccn1	95808741	KDNLYFKUAVUOEN-NTEUORMPSA-N	242.238	0.479	50	1	BCGF	
C[Si]1(C)OB(O)c2ccc(Cl)cc21	1857608726	XYMPWKWRBGUSLM-UHFFFAOYSA-N	212.517	0.470	50	1	BCGF	
N[C@@H](CC(/C=C/O)=C\C=C\OO)C(=O)O	103558818	AMEKAKFJYGGFTQ-OUDZSLPSSA-N	215.205	0.790	50	1	BCGF	in-vitro
C[C@@H](O)C=CC1(O)[C@@]2(C)CC(=O)C[C@@]1(C)OO2	2356561378	AXYVMSATLCNYCX-FBIMIBRVSA-N	242.271	0.497	50	1	BCGF	
O=C(O)CC[C@@H](CP(O)OO)C(=O)O	95092794	HKANXFJUBKMWSW-NJLWJAIHSA-N	226.121	0.346	50	1	BCGF	investigational
C[C@H](O)Cc1nc2ccc(C(=O)NN)cc2[nH]1	586889570	GMGIDDRRKGEYHC-LURJTMIESA-N	234.259	0.090	50	1	BCGF	
O=C(N/N=C\c1ccco1)c1cc[nH]n1	13113562	FSXZXXXMFAXQTH-WDZFZDKYSA-N	204.189	0.767	50	1	BCGF	
COc1ccc(-n2ncc(C(=O)NN)c2N)cc1	101512136	LENIRNLRASHTLA-UHFFFAOYSA-N	247.258	0.067	50	1	BCGF	
O=C1OC(=O)[C@]23CCC[C@@]12[C@H]1CC[C@H]3O1	253633931	PEKHINVAKVDWJS-JJHYMCDRSA-N	208.213	0.788	50	1	BCGF	
O[C@@H]1C[C@@H]2C[C@@H](Cl)O[C@@H]3OC[C@@]1(O)[C@@H]32	136360609	XNCBYWDPTVQQQZ-ZLSXHNQQSA-N	220.652	0.056	50	1	BCGF	
C/C(=N\NC(N)=O)c1c(C(=O)O)noc1C	45335806	JQJIJVQTNGGBCI-XCVCLJGOSA-N	226.192	0.074	50	1	BCGF	
CCC(=O)N[C@H]1C(=O)NC2=CSS[C@@H]21	238739216	WAYBAXDAQZLSTG-RQJHMYQMSA-N	230.314	0.616	50	1	BCGF	
C[C@@H]1OC(=O)/C(=C/[C@@H](Cl)[C@H](C)O)[C@@H]1O	257518094	PYNWQICKVFMNQB-HNMQRFDASA-N	220.652	0.207	50	1	BCGF	
N=c1[nH]c2nc([C@H](N)CCl)nc-2c(Cl)[nH]1	587010090	FXKNCNITXFEKFO-UWTATZPHSA-N	247.089	0.609	50	1	BCGF	
C[C@H]1OC(=O)/C=C/[C@H](O)/C=C/[C@@H](Cl)[C@H]1O	169292212	IIIFVUMJBALUGH-CFRRSQIPSA-N	232.663	0.373	50	1	BCGF	
Cc1cc(C(=O)NN)n(-c2ccc(F)cc2)n1	957656329	LUHCFHQKEINUSK-UHFFFAOYSA-N	234.234	0.923	50	1	BCGF	
NNC(=O)c1ccc2c(c1)NC1=CCCN1C2=O	957743293	XLHQZNHCBYCESH-UHFFFAOYSA-N	244.254	0.403	50	1	BCGF	
N[P@@](=O)(O)NCCC(Cl)Cl	29469990	DSOWXFKRZLSLNQ-UHFFFAOYSA-N	206.997	0.829	50	1	BCGF	
CN1CCCC[C@@H](NC(=O)CCl)C1=O	199261612	YFJVJUNFEWNNQL-SSDOTTSWSA-N	218.684	0.352	50	3	BCGF	
C[C@H](O)[C@@H](Cl)/C=C1/C(=O)O[C@H](C)[C@@H]1O	14924086	PYNWQICKVFMNQB-ARJWYWIFSA-N	220.652	0.207	50	1	BCGF	
CC[C@@H]1CC(C)(C)OO[C@@H]1[C@H](O)CO	72112210	LVVLDVKMIWDDBF-HLTSFMKQSA-N	204.266	0.865	50	1	BCGF	
N#Cc1nc2nc([C@H](N)CCl)[nH]c2nc1C#N	587010415	KATVAMXKSRYPSJ-SCSAIBSYSA-N	247.649	0.335	50	1	BCGF	
CC=CC1=CC(=O)[C@@H](Cl)[C@]1(O)C(=O)O	2356697570	VJCBQWOBSICVHH-APPZFPTMSA-N	216.620	0.495	50	1	BCGF	
O[C@@H]1C[C@@H]2C[C@H](Cl)O[C@@H]3OC[C@]1(O)[C@H]32	2356589912	XNCBYWDPTVQQQZ-CMLZIERQSA-N	220.652	0.056	50	1	BCGF	
CCOc1ccccc1C1=NO[C@@H](C(=O)NN)C1	103254190	LIIXPJYBLWARKD-LLVKDONJSA-N	249.270	0.568	50	1	BCGF	
O=C1O[C@@H]2[C@H]3C[C@@H]([C@H](C(=O)O)[C@@H]13)[C@H]2Cl	169616520	ZCJNJGNVUGMXST-KLJZZCKASA-N	216.620	0.486	50	1	BCGF	
C[Si]1(C)OB(O)c2ccc(C(F)(F)F)cc21	1857542542	FKZIHJDQFHKWEE-UHFFFAOYSA-N	246.069	0.835	50	1	BCGF	
Cc1ccc(/C=N/NC(=O)[C@@H]2CCC(=O)N2)cc1	1911584412	PVGNOTGBDOLJRA-KYJZABPNSA-N	245.282	0.724	50	1	BCGF	
C[C@H]1OC(=O)/C=C\[C@H](O)/C=C/[C@@H](Cl)[C@H]1O	40979171	IIIFVUMJBALUGH-WBJWVMJDSA-N	232.663	0.373	50	1	BCGF	
C/C=C/C1=CC(=O)[C@H](Cl)[C@@]1(O)C(=O)OC	13386273	HSATYRFYDXEDDB-KVCPUQMLSA-N	230.647	0.583	50	1	BCGF	
CC[C@H](O)[C@@H]1C[C@@H](CC=CC=O)C(=O)O1	2356473015	QMFWASKOALFPBQ-UTLUCORTSA-N	212.245	0.834	50	1	BCGF	
O=C1OC(=O)[C@@]23CSC[C@]12[C@H]1C=C[C@H]3O1	105500516	LPBLWAOIBKPJOX-ZHYWTAKUSA-N	224.237	0.127	50	1	BCGF	
C[C@@H]1OC(=O)C=C[C@H](O)C=C[C@@H](Cl)[C@H]1O	2356594795	IIIFVUMJBALUGH-WHQQTDPMSA-N	232.663	0.373	50	1	BCGF	
Nc1nn2c(O)cc(CCl)nc2c1[N+](=O)[O-]	28343758	IKQXUPRRBXNBMM-UHFFFAOYSA-N	243.610	0.664	50	1	BCGF	
CC=C(C=O)[C@@H](CC(=O)O)[C@H](C=O)C(=O)OC	2356760047	VLYPJOZZUQGWJT-BDAKNGLRSA-N	242.227	0.211	50	1	BCGF	
O=C(CCl)Cn1cnc([N+](=O)[O-])c1[N+](=O)[O-]	40917303	OVYKTMRJQNRAGJ-UHFFFAOYSA-N	248.582	0.507	50	1	BCGF	
CS(=O)(=O)CC[C@H](O)CCN=C=S	238766096	CKHWVIWXGBOEMP-SSDOTTSWSA-N	223.319	0.275	50	1	BCGF	
C[C@H](O)[C@H](Cl)C=C1C(=O)O[C@H](C)[C@H]1O	2356686055	PYNWQICKVFMNQB-LRSZDJBLSA-N	220.652	0.207	50	1	BCGF	
N[C@H](CCSSCCC(=O)O)C(=O)O	35785237	LTJTUMUVEJTCJZ-RXMQYKEDSA-N	239.318	0.645	50	1	BCGF	
COC(=O)C[C@H](O)COC(=O)/C=C/CCl	205059696	GLWKWBIUIXELQR-AIYRYJHASA-N	236.651	0.249	50	1	BCGF	
Nc1cc2nc([C@H](N)CCl)[nH]c2cn1	587010328	IVWDMIBBRBORPZ-SCSAIBSYSA-N	211.656	0.779	50	1	BCGF	
C/C(=C/C(=O)C(F)(F)F)NNC(=O)CC#N	214771419	JZEMSFMLWWABNT-PLNGDYQASA-N	235.165	0.556	50	1	BCGF	
CCCC(=O)N[C@@H](Cc1ccccc1)B(O)O	1857596106	AUSSHJQGUQTRPJ-NSHDSACASA-N	235.092	0.526	50	1	BCGF	
CC(C=O)=C[C@]1(C)O[C@H](C)[C@@](C)(O)[C@H]1O	2356653017	YDZGIHHZMNNFMM-VPOLOUISSA-N	214.261	0.421	50	1	BCGF	
C[C@@H]1N[C@H](C(=O)NN)Cc2c1[nH]c1ccccc21	72105336	JBWBBKSDBPQCII-CPCISQLKSA-N	244.298	0.733	50	1	BCGF	
N#C/C(=C\c1ccc(O)c(O)c1)[C@H](N)O	95921423	WKXFZYHWQFFWHN-KFEJWOFMSA-N	206.201	0.282	50	1	BCGF	in-vitro
O[C@@H]1C[C@@H]2C[C@H](Cl)O[C@@H]3OC[C@]1(O)[C@@H]32	2356589915	XNCBYWDPTVQQQZ-QGMREWSDSA-N	220.652	0.056	50	1	BCGF	
NCc1ccc2sc(B(O)O)cc2c1	197043752	AMRAXCBFZWIMEQ-UHFFFAOYSA-N	207.063	0.040	50	1	BCGF	
C/C(NNC(=O)C1CC1)=C1/C=CC=CC1=O	104005585	GUSGRWTZZLGKGE-CSKARUKUSA-N	218.256	0.986	50	3	BCGF	
Nc1cc2nc([C@H](N)CCl)[nH]c2cc1N	587011668	UBJVCKCILOHXDI-ZCFIWIBFSA-N	225.683	0.966	50	1	BCGF	
NNC(=O)n1ncc2ccc(Cl)cc2c1=O	587652353	COYWZYWJWOEBQS-UHFFFAOYSA-N	238.634	0.481	50	1	BCGF	
N[C@@H](CC(/C=C\O)=C\C=C\OO)C(=O)O	98209479	AMEKAKFJYGGFTQ-BITNIOLCSA-N	215.205	0.790	50	1	BCGF	in-vitro
O=C(O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@H]2C[C@@H]1[C@H]3Cl	169616519	ZCJNJGNVUGMXST-ASIBIWDJSA-N	216.620	0.486	50	1	BCGF	
Nc1ncnc2[nH]c(CBr)nc12	586972380	OTRNDVGAFYRAJC-UHFFFAOYSA-N	228.053	0.830	50	1	BCGF	
C[C@H]1OC2(CCN(C)CC2)C/C1=N\NC(N)=O	26506097	BRBMAGNSYPWYAZ-AHWGFSDVSA-N	240.307	0.284	50	1	BCGF	
O=C(N/N=C/N1CCOCC1)c1ccncc1	28648339	VVBYDJBPCOASLC-UKTHLTGXSA-N	234.259	0.087	50	1	BCGF	
C[C@H](O)C=CC1(O)[C@@]2(C)CC(=O)C[C@@]1(C)OO2	2356561379	AXYVMSATLCNYCX-JMJZKYOTSA-N	242.271	0.497	50	1	BCGF	
CCC(=O)N[C@@H](Cc1ccccc1)B(O)O	1857565734	GOSWZPMWKSLXDI-JTQLQIEISA-N	221.065	0.136	50	1	BCGF	
CCSC1=C(C#N)C(=O)N[C@@H](CO)S1	6721000	SGSRAQKCEJCEQY-ZCFIWIBFSA-N	230.314	0.656	50	1	BCGF	
COC(=O)N/N=C/c1ccc2nonc2c1	34416061	JGVFHQORKMIMDN-BJMVGYQFSA-N	220.188	0.913	50	1	BCGF	
Cc1c(/C=N/NC(=O)c2ccccc2)no[n+]1[O-]	169352093	CXEFJTNXNDXHQW-KPKJPENVSA-N	246.226	0.380	50	1	BCGF	
C[Si]1(C)OB(O)c2ccc(F)c(F)c21	1857588698	VBTYZLNHLVSIHZ-UHFFFAOYSA-N	214.052	0.095	50	1	BCGF	
O[C@@H]1C[C@@H]2C[C@H](Cl)O[C@@H]3OC[C@@]1(O)[C@H]32	2356589914	XNCBYWDPTVQQQZ-NUJDXYNKSA-N	220.652	0.056	50	1	BCGF	
C[C@@H]1OC(=O)C([C@@H](Cl)[C@H](C)O)=C[C@@H]1O	2356765289	IIYOOZPJDRONSJ-XVCLALHZSA-N	220.652	0.207	50	1	BCGF	
C[C@@H](O)Cc1nc2ccc(C(=O)NN)cc2[nH]1	586889578	GMGIDDRRKGEYHC-ZCFIWIBFSA-N	234.259	0.090	50	1	BCGF	
C[C@H]1OC(=O)/C=C\[C@H](O)/C=C/[C@H](Cl)[C@H]1O	40979173	IIIFVUMJBALUGH-UPVLLSTMSA-N	232.663	0.373	50	1	BCGF	
Nc1nc(O)c2nc([C@H](Cl)CCl)[nH]c2n1	587008501	PAHMRXANYVBMEL-UWTATZPHSA-N	248.073	1.159	50	1	BCGF	
N[C@H](CCl)c1nc2cnnc(O)c2[nH]1	587010244	HFYCQEXDOPOJFS-GSVOUGTGSA-N	213.628	0.297	50	1	BCGF	
CCC[C@H]1CCc2n[nH]c(C(=O)NN)c2C1	36387417	WRCCTRXGCPABER-ZETCQYMHSA-N	222.292	0.918	50	3	BCGF	
CC1=C[C@H]([C@H](O)[C@@H](O)[C@H](C)Cl)OC1=O	2356722631	LXHYBBQOYKTFIL-YWIQKCBGSA-N	220.652	0.207	50	1	BCGF	
O=C1OC(=O)[C@H]2[C@H]3O[C@@H](C=C3Br)[C@H]12	2356321615	FVOWKKPNGWDRDA-AZGQCCRYSA-N	245.028	0.362	50	1	BCGF	
CC(C=O)=C[C@]1(C)O[C@H](C)[C@@](C)(O)[C@@H]1O	2356653015	YDZGIHHZMNNFMM-CHWFTXMASA-N	214.261	0.421	50	1	BCGF	
C[C@@H]1O[C@H]1c1nc2ccc(C(=O)NN)cc2[nH]1	586917324	QCZDBDGWEBGFFT-SSDLBLMSSA-N	232.243	0.626	50	1	BCGF	
C/C=C/C1=CC(=O)[C@@H](Cl)[C@@]1(O)C(=O)OC	13386274	HSATYRFYDXEDDB-KHSHYHJCSA-N	230.647	0.583	50	1	BCGF	
O=S(=O)(CCl)OCCBr	27738469	DZNUHSRRVZLMTC-UHFFFAOYSA-N	237.502	0.924	50	1	BCGF	
Nc1cccc(/C=N/NC(=O)c2cnccn2)c1	58602574	KHVNVVMCULFEDE-FRKPEAEDSA-N	241.254	0.823	50	1	BCGF	
CCN1C(=O)[C@@H]2SS[C@H]1C(=O)N2CC	26579778	SQMGCRQPKBFENJ-YUMQZZPRSA-N	232.330	0.744	50	1	BCGF	
C[Si]12OCCCN(CCO1)CCO2	195468085	ITWMDVCUTCPPHI-UHFFFAOYSA-N	203.314	0.324	50	1	BCGF	
CC(=O)N/N=C1/CC2(CCN(C)CC2)O[C@@H]1C	3920718	YGQNHZJVJGFHQT-CSCQJOBLSA-N	239.319	0.752	50	1	BCGF	
COC(=O)/C(C#N)=C1\CC[C@H](C(=O)OC)N1C	5722572	AKMYQFYPOHFLIG-FCZSHJHJSA-N	238.243	0.204	50	1	BCGF	
NNC(=O)c1ccc2nc([C@H]3CCOC3)[nH]c2c1	586910928	CZXJZHNBRQBONY-QMMMGPOBSA-N	246.270	0.670	50	1	BCGF	
N[C@H](CCl)c1nc2ccnc(O)c2[nH]1	587010268	HXNAHWAUEUBFSB-SCSAIBSYSA-N	212.640	0.902	50	1	BCGF	
N[C@@H]1[C@@H](F)C[C@H](C(=O)O)[C@H]1Br	13805310	LBKNQWHOOTUVOY-QMKXCQHVSA-N	226.045	0.520	50	1	BCGF	
CC=C(C=O)C(CC(=O)OC)CC(=O)OC	2356381722	XAZACPHRIYKCIM-UHFFFAOYSA-N	228.244	0.874	50	1	BCGF	
N#CC(=Cc1ccc([N+](=O)[O-])o1)C(N)=O	2356840090	AWQODDAZZQKPED-UHFFFAOYSA-N	207.145	0.580	50	1	BCGF	
N#CC1=C(N)NN/C1=C1\C=C2CCCCC2=N1	104010962	AXHXUENQCSLAAD-ZHACJKMWSA-N	227.271	0.955	50	3	BCGF	
CC=CC1=CC(=O)[C@@H](Cl)[C@@]1(O)C(=O)OC	2356544883	HSATYRFYDXEDDB-PSASIEDQSA-N	230.647	0.583	50	1	BCGF	
O=C1OC(=O)[C@]23CCC[C@]12[C@@H]1CC[C@@H]3O1	100754537	PEKHINVAKVDWJS-AGNRWKBWSA-N	208.213	0.788	50	1	BCGF	
C/C(=C/C(=O)[C@H](Cl)C(=O)O)C(=O)O	85599423	MSSBQQMQTYJNHE-KQLGLEPJSA-N	206.581	0.278	50	1	BCGF	in-vitro
CN(C)c1ccc(/C=N/NC(=O)NO)cc1	27414881	XKFTXBVPWIJPQK-YRNVUSSQSA-N	222.248	0.775	50	1	BCGF	
Cc1nc2cc(C(=O)NN)c([N+](=O)[O-])cc2[nH]1	40822979	UKCASWVVFBERGD-UHFFFAOYSA-N	235.203	0.383	50	1	BCGF	
C[C@H](Cl)[C@@H](O)C1=C[C@H](O)[C@@H](C)OC1=O	34613108	RFRJSDLXLVSACH-UGSJSWHKSA-N	220.652	0.207	50	1	BCGF	
ClCCCC[N+]12CN3CN(CN(C3)C1)C2	1857562936	HVRHBCZGQYQHFM-UHFFFAOYSA-N	231.751	0.514	50	1	BCGF	
CC[C@H](O)[C@H]1C[C@H](CC=CC=O)C(=O)O1	2356473014	QMFWASKOALFPBQ-LPEHRKFASA-N	212.245	0.834	50	1	BCGF	
COC(=O)N/N=C/c1ccc2no[n+]([O-])c2c1	66058871	JPEHZWHGWIKHGT-BJMVGYQFSA-N	236.187	0.151	50	1	BCGF	
O=C(N/N=C/CCCO)c1ccncc1	1857585576	YDFXICDWSAWKNY-LFYBBSHMSA-N	207.233	0.570	50	1	BCGF	
O=C1[C@H]2CCCC[C@H]1[C@H]1O[C@H]2[C@H]2OO[C@H]1O2	299846446	QIYMINSMCJZOFY-TUMQMXHCSA-N	226.228	0.774	50	1	BCGF	
Nc1ccnc2[nH]c([C@H](N)CCl)nc12	587011359	RIYNBJKTUOQYHV-RXMQYKEDSA-N	211.656	0.779	50	1	BCGF	
NNC(=O)c1ccc2nc(C3=COCC3)[nH]c2c1	586912565	HJZFVRVUBRLPKP-UHFFFAOYSA-N	244.254	0.928	50	1	BCGF	
O=C1CC[C@@H](C(=O)N/N=C/C2CCCCC2)N1	1911574135	LXURWUYIBNBZMQ-XNFYSYIQSA-N	237.303	0.947	50	1	BCGF	
CCOc1ccc(C2=NO[C@@H](C(=O)NN)C2)cc1	103254194	KUUUXHNKYMFSBT-LLVKDONJSA-N	249.270	0.568	50	1	BCGF	
C[Si]1(C)OB(O)c2cc(F)c(F)cc21	1857612055	XVNGWHRRWSLFIA-UHFFFAOYSA-N	214.052	0.095	50	1	BCGF	
Cn1ccc(C(=O)N/N=C/c2ccncc2)n1	371358	GLWDVRWHOISKJK-MDWZMJQESA-N	229.243	0.579	50	3	BCGF	
COC(=O)C[C@H](O)COC(=O)C=CCCl	2356545188	GLWKWBIUIXELQR-ZETCQYMHSA-N	236.651	0.249	50	1	BCGF	
CCCc1ccc(NC(=O)CC(=O)NN)cc1	299828904	SJVWMOMPMLJKOY-UHFFFAOYSA-N	235.287	0.958	50	1	BCGF	
NC(=O)NN=C1CCc2ccc3c(c21)OCCO3	2356841760	MHKOHEWALXQDKR-UHFFFAOYSA-N	247.254	0.776	50	1	BCGF	
Cc1[nH]cnc1/C=N/NC(=O)c1ccccn1	95808628	VLKJYXKYVRDMLL-GIDUJCDVSA-N	229.243	0.877	50	1	BCGF	
CCOC(=O)[C@H](C)OC(=O)N(C)NC(C)=O	169343049	SJOFIKCUFSRIHA-LURJTMIESA-N	232.236	0.058	50	1	BCGF	
C[C@H](O)C[N+](C)(C)CI	13822367	DITNCIWAVBNKBH-LURJTMIESA-N	244.096	0.836	50	1	BCGF	
COC(=O)[C@@H]1CC(C=O)=C(SC)N1	1653531	NWUWWIACMRPGEF-LURJTMIESA-N	201.247	0.295	50	1	BCGF	
N[C@H](CCl)c1nc2c(O)ncnc2[nH]1	587011968	VNCJGUVTHYOPIE-GSVOUGTGSA-N	213.628	0.297	50	1	BCGF	
CC=C(C=O)[C@@H]1CC(=O)OC=C1C(=O)OC	2356563233	TXTINTVPMBCGKO-QMMMGPOBSA-N	224.212	0.752	50	1	BCGF	
CC=CC1=CC(=O)[C@H](Cl)[C@]1(O)C(=O)O	2356697571	VJCBQWOBSICVHH-CBAPKCEASA-N	216.620	0.495	50	1	BCGF	
O=C1CC[C@@H](C(=O)N/N=C/c2ccccc2)N1	1911582241	QBLMVBDFAXZTEB-XNFYSYIQSA-N	231.255	0.415	50	1	BCGF	
NC(=O)N/N=C1/c2ccccc2-n2nccc21	17251832	QPGMMKAFUDDZSL-UVTDQMKNSA-N	227.227	0.606	50	1	BCGF	
O=C1CCSSCCC(=O)NCCN1	1625708	SQTJPYWWGNNINA-UHFFFAOYSA-N	234.346	0.394	50	1	BCGF	
CO[C@@H](CBr)c1c[nH]c(=O)[nH]c1=O	58569327	YCBFIWSTJILEQQ-YFKPBYRVSA-N	249.064	0.146	50	1	BCGF	
NNC(=O)c1ccc2nc([C@@H]3CCOC3)[nH]c2c1	586910927	CZXJZHNBRQBONY-MRVPVSSYSA-N	246.270	0.670	50	1	BCGF	
CCN1C(=O)[C@H]2SS[C@H]1C(=O)N2CC	100840441	SQMGCRQPKBFENJ-OCAPTIKFSA-N	232.330	0.744	50	1	BCGF	
CS(=O)(=O)CC[C@@H](O)CCN=C=S	2356439048	CKHWVIWXGBOEMP-ZETCQYMHSA-N	223.319	0.275	50	1	BCGF	
C[C@@H](CCBr)[C@H](N)C(=O)O	58627067	NKCINOJOELVWGT-WHFBIAKZSA-N	210.071	0.819	50	1	BCGF	in-vitro
NNC(=O)c1ccc2nc([C@H](N)C3CC3)[nH]c2c1	587255305	CRLRMUDNOGCHAI-SNVBAGLBSA-N	245.286	0.576	50	1	BCGF	
NC(=O)NN=CC(=CNO)c1ccccc1	2356674991	BQPCARWHDVPLRI-UHFFFAOYSA-N	220.232	0.660	50	1	BCGF	
CC(=O)N(O)CC[C@H](Cl)P(=O)(O)O	49049671	QXTHXXBFCDYHPV-RXMQYKEDSA-N	231.572	0.357	50	1	BCGF	
CO[C@@H]1C[C@]2(CCC(C=O)=C[C@H]2O)[C@@H](OC)O1	2356420042	MOOHGKGNFMULIH-RHYQMDGZSA-N	242.271	0.618	50	1	BCGF	
C[C@@H](NC(=O)N(CCCl)N=O)C(=O)O	5751085	ORNLZEDGUXUSMV-SCSAIBSYSA-N	223.616	0.391	50	1	BCGF	
C[C@@H]1OC2(CCN(C)CC2)C/C1=N/NC(N)=O	13741175	BRBMAGNSYPWYAZ-PHAVJPBESA-N	240.307	0.284	50	1	BCGF	
COc1ccc(OC)c(/C=N/NC(=O)NO)c1	27414867	DFYBYDSWAFCKJL-IZZDOVSWSA-N	239.231	0.726	50	1	BCGF	
CC(=O)N/N=C1/CC2(CCN(C)CC2)O[C@H]1C	13741172	YGQNHZJVJGFHQT-ZQQXWWNKSA-N	239.319	0.752	50	1	BCGF	
O=C1OC(=O)[C@]23CSC[C@@]12[C@H]1C=C[C@H]3O1	195524710	LPBLWAOIBKPJOX-SXILTZBTSA-N	224.237	0.127	50	1	BCGF	
NC(=O)c1cccc2nc([C@H](N)CCl)[nH]c12	587011604	SZBGMIIQKYEEOV-ZCFIWIBFSA-N	238.678	0.900	50	1	BCGF