smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1ccccc1N1C(=O)NC(=O)/C(=C\NC(CO)(CO)CO)C1=O	408526589	BPQYGAGYLOWNLZ-IZZDOVSWSA-N	349.343	-1.233	10	40	EACB	
CN1C(=O)NC(=O)/C(=C/N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1=O	100770370	ULCSTDVDCYZFDI-PFRDROHPSA-N	331.281	-4.032	10	40	EACB	biogenic
O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1	15251264	GDVRUDXLQBVIKP-IUBQSNSRSA-N	332.261	-2.240	10	40	EACB	endogenous,in-man
CC(C)(C)N/N=N/c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	5811012	AFMJAEUQGBFPRD-SJQPAMGKSA-N	343.340	-1.465	10	40	EACB	
CN1C(=O)N=C(O)/C(=C/N[C@H]2[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]2O)C1=O	103557199	ULCSTDVDCYZFDI-NZLPSCNMSA-N	331.281	-3.192	10	40	EACB	
C[C@@H](O)C/[N+]([O-])=N/OCN(CO/N=[N+](\[O-])C[C@@H](C)O)[N+](=O)[O-]	10490807	GKNJJCCVPRDSRV-OBBMSSJLSA-N	326.266	-1.055	10	40	EACB	
O=C(O[C@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1	2060999579	GDVRUDXLQBVIKP-AZRBTLBLSA-N	332.261	-2.240	10	40	EACB	
CN1CCN(c2cc3c(cc2F)[n+]([O-])c(C(N)=O)c(N)[n+]3[O-])CC1	4708254	NVROWROANULYMZ-UHFFFAOYSA-N	336.327	-1.321	10	40	EACB	
CN1C(=O)C(=CN[C@@H](CC[S@](C)=O)C(=O)O)C(=O)N(C)C1=O	20412110	YNKAVFKHRJTFFQ-QSIZCVBASA-N	331.350	-1.268	10	40	EACB	biogenic
Cn1c(=O)c2[nH]c(/N=N/NCC(=O)NCC(=O)O)nc2n(C)c1=O	2279589	WWHMGHYIMNYFEB-UHFFFAOYSA-N	338.284	-2.251	10	40	EACB	
O=C(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1	8376412	GDVRUDXLQBVIKP-XHDKGZGWSA-N	332.261	-2.240	10	40	EACB	in-man
CN1C(=O)C(=CN[C@@H](CC[S@@](C)=O)C(=O)O)C(=O)N(C)C1=O	20412106	YNKAVFKHRJTFFQ-ZCAPAMDOSA-N	331.350	-1.268	10	40	EACB	biogenic
CN1C(=O)C(=CN[C@@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C(=O)N(C)C1=O	504050651	KMBFZFSAECWXAX-DBMDZIMMSA-N	345.308	-3.690	10	40	EACB	biogenic
CN1C(=O)C(=CN[C@H](CC[S@](C)=O)C(=O)O)C(=O)N(C)C1=O	20412102	YNKAVFKHRJTFFQ-CWMRNNLJSA-N	331.350	-1.268	10	40	EACB	biogenic
CN1C(=O)N=C(O)/C(=C/N[C@@H]2[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]2O)C1=O	103557207	ULCSTDVDCYZFDI-GNMZRXOOSA-N	331.281	-3.192	10	40	EACB	
OCCN(CCO)Cc1cc(O)c(CN(CCO)CCO)cc1O	1675793	DKUOJSGEOWJPBQ-UHFFFAOYSA-N	344.408	-1.329	10	40	EACB	
CN1C(=O)C(=CN[C@H](CC[S@@](C)=O)C(=O)O)C(=O)N(C)C1=O	20412100	YNKAVFKHRJTFFQ-PJLCYMMNSA-N	331.350	-1.268	10	40	EACB	biogenic
O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1	96024403	GDVRUDXLQBVIKP-ZIUAGHQXSA-N	332.261	-2.240	10	40	EACB	in-vitro
CN1C(=O)C(=CN[C@H]2[C@H](O)[C@H](O)[C@@H](CO)O[C@H]2O)C(=O)N(C)C1=O	504050672	KMBFZFSAECWXAX-PUMKULAUSA-N	345.308	-3.690	10	40	EACB	biogenic
O=C(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1	2060999581	GDVRUDXLQBVIKP-RHBUKMAISA-N	332.261	-2.240	10	40	EACB	
O=C(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1	15251259	GDVRUDXLQBVIKP-NTGGNFCOSA-N	332.261	-2.240	10	40	EACB	endogenous,in-man
C[C@H](O)C/[N+]([O-])=N/OCN(CO/N=[N+](\[O-])C[C@@H](C)O)[N+](=O)[O-]	10490803	GKNJJCCVPRDSRV-QNFYXLMOSA-N	326.266	-1.055	10	40	EACB	
Nc1nonc1/N=N/N(CC(=O)N1CCOCC1)c1nonc1N	4132697	ZBWPNZCMAJGULQ-QGOAFFKASA-N	338.288	-1.019	10	40	EACB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/NC(CO)(CO)CO	6535746	DDILESBJYNMTPU-IZZDOVSWSA-N	335.316	-1.541	10	40	EACB	
CC(C)(C)N/N=N/c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	5811015	AFMJAEUQGBFPRD-YSSBGUOXSA-N	343.340	-1.465	10	40	EACB	
CCCCN1C(=O)NC(=O)/C(=C/NCC(=O)NCC(=O)O)C1=O	20393833	NMWAAIWCXQNSQM-YVMONPNESA-N	326.309	-1.461	10	40	EACB	
CN(C)/N=N/c1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)CO	8740301	ZFIGJLVPWKXGGB-VWUPPOFCSA-N	325.329	-1.653	10	40	EACB	biogenic
COC(=O)CN1C(=O)CN(c2nc(N(C)C)nc(N(C)C)n2)C1=O	2227844	HQKABFASJKXLAX-UHFFFAOYSA-N	337.340	-1.055	10	40	EACB	
CNC(=O)C(=[N+]=[N-])C(=O)Nn1cc(C(=S)N2CCOCC2)nn1	8713733	RQPNFTGXJZACLT-UHFFFAOYSA-N	338.353	-2.227	10	40	EACB	
CN(C)/N=N/c1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)CO	5542746	ZFIGJLVPWKXGGB-BZSVUZHVSA-N	325.329	-1.653	10	40	EACB	biogenic
CN1C(=O)C(=CN[C@@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@@H]2O)C(=O)N(C)C1=O	504050670	KMBFZFSAECWXAX-IPPQBIQMSA-N	345.308	-3.690	10	40	EACB	biogenic
O=C(O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1	2060999580	GDVRUDXLQBVIKP-QWRHMFJTSA-N	332.261	-2.240	10	40	EACB	
C[C@H](O)C/[N+]([O-])=N/OCN(CO/N=[N+](\[O-])C[C@H](C)O)[N+](=O)[O-]	10490813	GKNJJCCVPRDSRV-KNWGKLOFSA-N	326.266	-1.055	10	40	EACB	
O=C(O)c1cc(O)c(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1	13540023	XRCRYNCPNYQMOB-JEUROIALSA-N	332.261	-2.025	10	40	EACB	in-vitro
CN1C(=O)C(=CN[C@H]2[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O)C(=O)N(C)C1=O	504050671	KMBFZFSAECWXAX-NVHVNNGRSA-N	345.308	-3.690	10	40	EACB	biogenic
CN1C(=O)NC(=O)/C(=C/N[C@@H]2[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@H]2O)C1=O	26788513	ULCSTDVDCYZFDI-VTANYPNESA-N	331.281	-4.032	10	40	EACB	
CN1C(=O)C(=CN[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C(=O)N(C)C1=O	20610558	KMBFZFSAECWXAX-ZTVJRRTOSA-N	345.308	-3.690	10	40	EACB	biogenic
CN1C(=O)NC(=O)/C(=C/N[C@H]2[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@H]2O)C1=O	26788518	ULCSTDVDCYZFDI-AFHDNUKFSA-N	331.281	-4.032	10	40	EACB	
Cn1c(=O)c2[nH]c(/N=N/N3CCN(CCO)CC3)nc2n(C)c1=O	1691241	LPJOKQWPZXJQQU-WUKNDPDISA-N	336.356	-1.431	10	40	EACB	in-vitro
Cn1c(=O)c2nc(/N=N\N3CCN(CCO)CC3)[nH]c2n(C)c1=O	100133623	LPJOKQWPZXJQQU-MSUUIHNZSA-N	336.356	-1.431	10	40	EACB	in-vitro
CCCCN1C(=O)NC(=O)/C(=C\NCC(=O)NCC(=O)O)C1=O	101135380	NMWAAIWCXQNSQM-VMPITWQZSA-N	326.309	-1.461	10	40	EACB