smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
[N-]=[N+]=N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O	6091560	MRUKYOQQKHNMFI-XVFCMESISA-N	269.217	-1.534	10	50	CACA	in-vitro
CC(=O)N[C@H]1[C@H](OCCN=[N+]=[N-])C[C@@H](CO)[C@H](O)[C@@H]1O	238730614	XABWQXCIQZZUHY-HPENLJRUSA-N	288.304	-1.079	10	50	CACA	
Nc1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1	44135717	MIAKOEWBCMPCQR-HHHUOAJASA-N	271.269	-1.553	10	50	CACA	
CC(=O)N[C@@H]1[C@@H](OCCN=[N+]=[N-])O[C@H](CO)[C@H](O)[C@@H]1O	216450777	DHQJPCIPZHPDSL-KBDSZGMXSA-N	290.276	-1.743	10	50	CACA	
[N-]=[N+]=N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O	6091574	FEOYKPQEERVCAV-XVFCMESISA-N	268.233	-1.245	10	50	CACA	in-vitro
CC(=O)N[C@@H]1[C@H](OCCN=[N+]=[N-])C[C@H](CO)[C@H](O)[C@@H]1O	238730613	XABWQXCIQZZUHY-MVCUBJFGSA-N	288.304	-1.079	10	50	CACA	
CC(=O)N[C@H]1[C@@H](OCCN=[N+]=[N-])O[C@@H](CO)[C@H](O)[C@@H]1O	238730610	DHQJPCIPZHPDSL-LRPJSKTQSA-N	290.276	-1.743	10	50	CACA	
CN1C(=O)C(=CN[C@H](CC(=O)O)C(=O)O)C(=O)N(C)C1=O	1000544	WEAOUENLECIWGA-ZCFIWIBFSA-N	299.239	-1.562	10	50	CACA	
Nc1ccc(O[C@@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc1	253614222	ZARKEMJKQOXOSQ-WSOSLHDDSA-N	285.252	-1.460	10	50	CACA	
CC(=O)N[C@H]1[C@@H](OCCN=[N+]=[N-])O[C@H](CO)[C@@H](O)[C@@H]1O	95099907	DHQJPCIPZHPDSL-IGORNWKESA-N	290.276	-1.743	10	50	CACA	
O=C1N=C(O)/C(=C/c2c(O)[nH]c(=O)[nH]c2=O)C(=O)N1	2990163	VCIFKUZDHXMIKX-UHFFFAOYSA-N	266.169	-1.642	10	50	CACA	
[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O	29233377	FHPJZSIIXUQGQE-XZMZPDFPSA-N	285.216	-2.214	10	50	CACA	
OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C1NNC(=S)NN1	239173748	OOOJWEASRKBWBV-KLVWXMOXSA-N	268.295	-4.765	10	50	CACA	
[N-]=[N+]=NCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O	6090951	JKSAKMHLWMCADM-XLPZGREQSA-N	283.244	-1.012	10	50	CACA	
[N-]=[N+]=N[C@@H]1[C@H](O)[C@@H](CO)O[C@@H]1n1ccc(=O)[nH]c1=O	230402130	MRUKYOQQKHNMFI-JBBNEOJLSA-N	269.217	-1.534	10	50	CACA	
[O-]/[N+](=N/O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)N1CCCC1	45789225	DFCOWOMYWFVWMB-CWLSWERLSA-N	293.276	-2.309	10	50	CACA	in-vitro
CC(=O)N[C@@H]1[C@H](OCCN=[N+]=[N-])C[C@@H](CO)[C@H](O)[C@@H]1O	238730615	XABWQXCIQZZUHY-UNQZSWDGSA-N	288.304	-1.079	10	50	CACA	
Nc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1	44135714	ZARKEMJKQOXOSQ-GOVZDWNOSA-N	285.252	-1.460	10	50	CACA	in-vitro
Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1	5161896	MIAKOEWBCMPCQR-YBXAARCKSA-N	271.269	-1.553	10	50	CACA	biogenic,in-vitro
CN1C(=O)C(=CNCCN2CCOCC2)C(=O)N(C)C1=O	19707177	YKCIFYVOSPSXIX-UHFFFAOYSA-N	296.327	-1.158	10	50	CACA	
CN1C(=O)C(=CNCCN2CCNCC2)C(=O)N(C)C1=O	19362528	OEHJPSQGYBRHGS-UHFFFAOYSA-N	295.343	-1.585	10	50	CACA	
O=C1NC(=O)C(=CNCCCN2CCCC2=O)C(=O)N1	5826326	DPQHINNIQKTQDK-UHFFFAOYSA-N	280.284	-1.162	10	50	CACA	
[N-]=[N+]=N[C@]1(CO)O[C@H](n2ccc(=N)nc2O)[C@H](O)[C@H]1O	504345577	ODLGMSQBFONGNG-JAGXHNFQSA-N	284.232	-1.682	10	50	CACA	
Nc1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	13545412	MIAKOEWBCMPCQR-ZIQFBCGOSA-N	271.269	-1.553	10	50	CACA	in-vitro
CN1C(=O)C(=CN[C@@H](CC(=O)O)C(=O)O)C(=O)N(C)C1=O	1000543	WEAOUENLECIWGA-LURJTMIESA-N	299.239	-1.562	10	50	CACA	
O=C1NC(=O)C(=CNCCCN2CCOCC2)C(=O)N1	19867670	VVLBNJWYWBDWTB-UHFFFAOYSA-N	282.300	-1.452	10	50	CACA	
CC(=O)N[C@H]1[C@@H](OCCN=[N+]=[N-])O[C@H](CO)[C@H](O)[C@@H]1O	216450730	DHQJPCIPZHPDSL-SPFKKGSWSA-N	290.276	-1.743	10	50	CACA	
O=C1NC(=O)C(C2(O)C(=O)c3ccccc3C2=O)C(=O)N1	2901187	XPEQCDLTKWQNBP-UHFFFAOYSA-N	288.215	-1.221	10	50	CACA	
O=[N+]([O-])c1nonc1/N=[N+](\O)C(CO)(CO)[N+](=O)[O-]	225422731	ZORWBHZEWZHZGR-UHFFFAOYSA-N	279.145	-1.579	10	50	CACA	
[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O	38424637	ODLGMSQBFONGNG-XZMZPDFPSA-N	284.232	-1.925	10	50	CACA	
[N-]=[N+]=N[C@]1(CO)O[C@H](n2ccc(=N)nc2O)[C@@H](O)[C@H]1O	504345578	ODLGMSQBFONGNG-VOQBNFLRSA-N	284.232	-1.682	10	50	CACA	
Nc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc1	247694810	ZARKEMJKQOXOSQ-ZXUATJPGSA-N	285.252	-1.460	10	50	CACA	
O=C1NC(=O)C(=CNCCN2CCNCC2)C(=O)N1	100163189	NVCGRZZPNIJZSK-UHFFFAOYSA-N	267.289	-2.269	10	50	CACA	
OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)C1NNC(=S)NN1	239173749	OOOJWEASRKBWBV-NEEWWZBLSA-N	268.295	-4.765	10	50	CACA	
CC(=O)N[C@@H]1[C@@H](OCCN=[N+]=[N-])O[C@@H](CO)[C@H](O)[C@@H]1O	238730611	DHQJPCIPZHPDSL-WLRJLXCNSA-N	290.276	-1.743	10	50	CACA	
[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O	13973993	ODLGMSQBFONGNG-JVZYCSMKSA-N	284.232	-1.925	10	50	CACA	
[O-][N+](=NO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)N1CCCC1	100016370	DFCOWOMYWFVWMB-KBDSZGMXSA-N	293.276	-2.309	10	50	CACA	in-vitro
[N-]=[N+]=N[C@@H]1[C@H](O)[C@@H](n2ccc(O)nc2=O)O[C@H]1CO	1772572732	WQBCHXWMHQMQKW-PSQAKQOGSA-N	269.217	-1.122	10	50	CACA	
CC(=O)N[C@H]1[C@H](OCCN=[N+]=[N-])C[C@H](CO)[C@H](O)[C@@H]1O	238730612	XABWQXCIQZZUHY-SAVGLBRCSA-N	288.304	-1.079	10	50	CACA	
CC(=O)N[C@H]1[C@H](OCCN=[N+]=[N-])O[C@H](CO)[C@@H](O)[C@@H]1O	35928963	DHQJPCIPZHPDSL-VVULQXIFSA-N	290.276	-1.743	10	50	CACA	in-vitro
CN1CCN(NC=C2C(=O)N(C)C(=O)N(C)C2=O)CC1	55450376	CGCWCHZXSHGRTI-UHFFFAOYSA-N	281.316	-1.327	10	50	CACA