smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[N+](C)(C)CCO[P@@](=O)(O)O[C@@H](CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1	59606049	ABYBKFOWGWPBRM-SANMLTNESA-O	500.552	4.196	5	30	KIBC	
C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3O[C@@H](C)[C@H](OC(C)=O)[C@H](N(C)C)[C@H]3O)c21	4214256	GHLIFBNIGXVDHM-JFNKQFCGSA-N	563.603	4.148	5	30	KIBC	
Nc1c(-c2nc3cc4c(OS(=O)(=O)O)c5ccccc5c(OS(=O)(=O)O)c4cc3o2)ccc2c(OS(=O)(=O)O)c3ccccc3c(OS(=O)(=O)O)c12	195764656	QZXVIVPPIIRMCP-UHFFFAOYSA-N	794.728	4.416	5	30	KIBC	
CN(C[C@@H](NC(=O)OC(C)(C)C)c1cc(F)cc(Br)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	2048485872	NIXPTLXDZNPLQB-MRXNPFEDSA-N	532.388	4.383	5	30	KIBC	
O=C(N[C@H](NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)C(O)(Cl)Cl)C(c1ccccc1)c1ccccc1	108647159	BQKZWYIYBROEFL-OAQYLSRUSA-N	537.400	4.418	5	30	KIBC	
COc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nc(-c3ccc(OS(=O)(=O)N(C)C)cc3)no2)cc1	12369499	VUTIMAOOAZMHND-UHFFFAOYSA-N	512.500	4.298	5	30	KIBC	
Nc1ccc2c3ccc(N)cc3[n+](-c3ccccc3)[n+](CCCNCCNCCC[n+]3c4cc(N)ccc4c4ccc(N)cc4[n+]3-c3ccccc3)c2c1	150339911	HAMRVKMJPYBECX-UHFFFAOYSA-N	716.938	4.416	5	30	KIBC	
COC(=O)C1=C(C)N(Cc2ccccc2)C(C)=C(C(=O)O[C@@H]2CCCNC2)[C@@H]1c1cccc([N+](=O)[O-])c1	138837714	XFAQOBQTDMUCRP-ZEQKJWHPSA-N	505.571	4.210	5	30	KIBC	
COC(=O)C1=C(C)N(Cc2ccccc2)C(C)=C(C(=O)O[C@H]2CCCNC2)[C@H]1c1cccc([N+](=O)[O-])c1	138837822	XFAQOBQTDMUCRP-OZXSUGGESA-N	505.571	4.210	5	30	KIBC	
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCN1CCN(CCCN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)CC1	82170849	OYNMPOBOWPMEKI-UHFFFAOYSA-N	650.648	4.099	5	30	KIBC	
CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(F)cc(Br)c1	2048485858	DVCLPCIUOHZEFO-OAHLLOKOSA-N	518.361	4.041	5	30	KIBC	
COc1c(Cc2cccc(I)c2[N+](=O)[O-])ccc(I)c1[N+](=O)[O-]	2265384511	NGCXPCCWYDBNPJ-UHFFFAOYSA-N	540.051	4.312	5	30	KIBC	
O=C(N[C@@H](NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)C(O)(Cl)Cl)C(c1ccccc1)c1ccccc1	108647168	BQKZWYIYBROEFL-NRFANRHFSA-N	537.400	4.418	5	30	KIBC	
O=C(N[C@H](CCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O)OCC1c2ccccc2-c2ccccc21	616581056	PRVUNKPLPKHEPV-HSZRJFAPSA-N	553.593	4.035	5	30	KIBC	
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2nc(Nc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])nc(Nc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])n2)c([N+](=O)[O-])c1	196275567	YALJOHGBIWCGFV-UHFFFAOYSA-N	759.390	4.276	5	30	KIBC	
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3C(F)(F)F)cc2)no1	8618139	KOZUCVYKABNWGT-UHFFFAOYSA-N	536.448	4.149	5	30	KIBC