smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1	13019963	HNTSWXHWYAGXHB-JTQLQIEISA-N	425.510	-1.271	50	40	IAGB	
O=C(N/N=C\[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)N/N=C\[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO	4726426	HFGZYWOYYCJAAM-ZMLVUDRBSA-N	442.378	-7.938	50	40	IAGB	
O=C(N/N=C/[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)N/N=C/[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO	17314695	HFGZYWOYYCJAAM-WFMINJRUSA-N	442.378	-7.938	50	40	IAGB	
CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)cc1	13019965	HNTSWXHWYAGXHB-SNVBAGLBSA-N	425.510	-1.271	50	40	IAGB	
Cn1c(=O)c2c(ncn2CC(=O)NNC(=S)NCc2ccc3c(c2)OCO3)n(C)c1=O	9587540	HVINROQBIGMYPF-UHFFFAOYSA-N	445.461	-1.142	50	40	IAGB	
CC(=O)OC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)Oc1ccc([N+](=O)[O-])cc1	5028422	YVKSRVSZNHSEJC-STQMWFEESA-N	440.365	-1.534	50	40	IAGB	
CC1=C(C(=O)NNC(=O)C[N+](C)(C)C)CC(C(=O)NNC(=O)C[N+](C)(C)C)=C(C)N1	73405512	SDMCHNACSNANIT-UHFFFAOYSA-P	425.534	-1.765	50	40	IAGB	
Cc1ccccc1OC[C@H](O)Cn1c(NCC(=O)NN)nc2c1c(=O)n(C)c(=O)n2C	12232368	WEZDNNFHCDOBKO-GFCCVEGCSA-N	431.453	-1.416	50	40	IAGB	
CC(=O)OC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)Oc1ccc([N+](=O)[O-])cc1	5028423	YVKSRVSZNHSEJC-QWHCGFSZSA-N	440.365	-1.534	50	40	IAGB	
CC(=O)OC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)NCC(=O)Oc1ccc([N+](=O)[O-])cc1	5028420	YVKSRVSZNHSEJC-OLZOCXBDSA-N	440.365	-1.534	50	40	IAGB	
O=C(CI)NCc1cn([C@H]2C[C@H](O)[C@H](CO)O2)c(=O)[nH]c1=O	5437241	XEMWWXHHNUFOPH-OYNCUSHFSA-N	425.179	-1.772	50	40	IAGB	
O=C(CI)NCc1cn([C@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O	5437243	XEMWWXHHNUFOPH-KHQFGBGNSA-N	425.179	-1.772	50	40	IAGB	
O=C(N/N=C\[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)N/N=C/[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO	17314693	HFGZYWOYYCJAAM-MJXLEDKWSA-N	442.378	-7.938	50	40	IAGB	
Cc1ccccc1OC[C@@H](O)Cn1c(NCC(=O)NN)nc2c1c(=O)n(C)c(=O)n2C	12232365	WEZDNNFHCDOBKO-LBPRGKRZSA-N	431.453	-1.416	50	40	IAGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1	32801888	ZWNUJTSMIFPUFI-CQSZACIVSA-N	446.551	-1.118	50	40	IAGB	
Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1nn(-c3ccccc3)cc1O)c(=O)n2C	10158748	HMLMYRWCGYKPHJ-UHFFFAOYSA-N	438.404	-1.214	50	40	IAGB	
O=C(N/N=C\[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)C(=O)N/N=C/[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	17314691	HFGZYWOYYCJAAM-RLLTWOEDSA-N	442.378	-7.938	50	40	IAGB	
O=C(Cc1nnc(NC(=O)c2cc(=O)[nH]c(O)n2)s1)NNC(=O)c1cc(=O)[nH]c(=O)[nH]1	33703278	NFGQLEBFZYNAJP-UHFFFAOYSA-N	449.365	-3.040	50	40	IAGB	
O=C(CI)NCc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O	5437242	XEMWWXHHNUFOPH-WEDXCCLWSA-N	425.179	-1.772	50	40	IAGB	
O=C(CI)NCc1cn([C@@H]2C[C@H](O)[C@H](CO)O2)c(=O)[nH]c1=O	5437240	XEMWWXHHNUFOPH-NRPADANISA-N	425.179	-1.772	50	40	IAGB	
O=C(NNC=C1C(=O)NC(=S)NC1=O)C(=O)NNC=C1C(=O)NC(=S)NC1=O	16136192	PNCPLMJDFVDIBY-UHFFFAOYSA-N	426.396	-4.942	50	40	IAGB	
Cn1cc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(=O)n(C)c1=O	10025317	SOAWWRWPBLUUSF-YBFXNURJSA-N	435.462	-1.131	50	40	IAGB	
COCc1nnn(-c2nonc2N)c1C(=O)NNC(=O)c1nn(C)cc1Br	3666365	WFSPVKRLQSBHHS-UHFFFAOYSA-N	441.206	-1.050	50	40	IAGB	
CC(=O)OC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)NCC(=O)Oc1ccc([N+](=O)[O-])cc1	5028421	YVKSRVSZNHSEJC-CHWSQXEVSA-N	440.365	-1.534	50	40	IAGB