smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(CC[N+](=O)[O-])OC[C@H]1O[C@H](OC(=O)C[C@H]2COC(=O)C2)[C@@H](O)[C@H](O)[C@H]1O	2356857277	GIJXECWYLFSYCR-PEMGZSLZSA-N	407.328	-2.500	5	1	HABF	
O=C1NC(=S)NC(=O)C1C(c1ccccc1[N+](=O)[O-])C1C(=O)NC(=S)NC1=O	1863758	NQACIVDFQLNGHB-UHFFFAOYSA-N	421.416	-1.027	5	1	HABF	
COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCC(=O)O)[C@H]2O)c([N+](=O)[O-])c1	230473583	DTXWQORNBHNZKY-QPVMMRRFSA-N	417.323	-1.331	5	1	HABF	biogenic
C[N+](C)(C)C[C@H]1O[C@@H](OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O	27624520	OXQQYUUJXYVZTJ-YDBCPLSKSA-O	418.423	-3.675	5	1	HABF	
O=C(CC[N+](=O)[O-])OC[C@H]1O[C@H](OC(=O)C[C@@H]2COC(=O)C2)[C@@H](O)[C@H](O)[C@H]1O	2356857276	GIJXECWYLFSYCR-GLMZZRQPSA-N	407.328	-2.500	5	1	HABF	
NS(=O)(=O)c1cn(CC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1=O	95564143	LWJSKBAKYBBUDZ-UHFFFAOYSA-N	416.393	-1.091	5	1	HABF	
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	105047125	WJPLSTABBCGIQS-ADVRJHOBSA-N	424.399	-1.187	5	3	HABF	
CC(C)C[C@H](NC(=O)[C@@H](O)CN)C(=O)NC[C@H](N)[C@@H](O)c1ccc([N+](=O)[O-])cc1	72113067	TYVDYFJOUBAYDR-VGWMRTNUSA-N	411.459	-1.078	5	1	HABF	
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	17301336	WJPLSTABBCGIQS-GVYNHYCVSA-N	424.399	-1.187	5	3	HABF	
C[C@@H](O)[C@@]1(O)C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@]23O	238756811	BEYKNVFHFXUZQZ-JCKCDKCUSA-N	400.448	-1.177	5	1	HABF	
Cc1ncc([N+](=O)[O-])n1CCO[C@@H]1O[C@H](c2nc3cncnc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O	587275210	ZMXJGLWOBIPSJI-CQUYNDQOSA-N	421.370	-1.037	5	1	HABF	
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	17301338	WJPLSTABBCGIQS-HBXVMFDYSA-N	424.399	-1.187	5	1	HABF	
O=C(CC[N+](=O)[O-])OC[C@H]1O[C@@H](OC(=O)C[C@H]2COC(=O)C2)[C@@H](O)[C@H](O)[C@H]1O	2356857278	GIJXECWYLFSYCR-XMUZYTAASA-N	407.328	-2.500	5	1	HABF	
O=C1NC(=S)NC(=O)C1C(c1ccc([N+](=O)[O-])cc1)C1C(=O)NC(=S)NC1=O	1863753	BTTUGHRDIVAHJU-UHFFFAOYSA-N	421.416	-1.027	5	1	HABF	
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	105047121	WJPLSTABBCGIQS-IZRASGFBSA-N	424.399	-1.187	5	3	HABF	
Cc1ncc([N+](=O)[O-])n1CCO[C@@H]1O[C@H](c2nc3cnncc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O	587274733	KSAFNWUBMIXRQZ-JHZZJYKESA-N	421.370	-1.037	5	1	HABF	
CO[C@H]1O[C@H](CNC(=O)c2ccc(COC(C)=O)c([N+](=O)[O-])c2)[C@@H](O)[C@H](O)[C@H]1O	2178320223	QVEVMBQDVHMWRD-GAGVYUBLSA-N	414.367	-1.158	5	1	HABF	
O=C(CC[N+](=O)[O-])OC[C@H]1O[C@@H](OC(=O)C[C@@H]2COC(=O)C2)[C@@H](O)[C@H](O)[C@H]1O	2356857275	GIJXECWYLFSYCR-CTUIAXGYSA-N	407.328	-2.500	5	1	HABF	
Cc1ncc([N+](=O)[O-])n1CCO[C@@H]1O[C@H](c2nc3ncc[nH]c-3n2)[C@@H](O)[C@H](O)[C@H]1O	587274892	OQXHNXKIBNUBFX-DKQGBHPVSA-N	421.370	-1.085	5	1	HABF	
O=C(CC[N+](=O)[O-])OC[C@H]1O[C@@H](OC(=O)C[C@H]2COC(=O)C2)[C@H](O)[C@@H](O)[C@@H]1O	238781945	GIJXECWYLFSYCR-IMHBCXQASA-N	407.328	-2.500	5	1	HABF	
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	29058928	WJPLSTABBCGIQS-JTFADIMSSA-N	424.399	-1.187	5	3	HABF