smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
[O-]/[N+](=N/C1=NC=NC2=NC=N[C@@H]21)C1=NC=NC2=NC=N[C@H]21	96328642	QRGRYJWCRFHZLN-FZHRNCPJSA-N	282.227	-0.552	10	30	CBCC	
[O-]/[N+](=N/C1=NC=NC2=NC=N[C@H]21)C1=NC=NC2=NC=N[C@@H]21	96328639	QRGRYJWCRFHZLN-YIIDTYIQSA-N	282.227	-0.552	10	30	CBCC	
[O-]/[N+](=N/C1=NC=NC2=NC=N[C@H]21)C1=NC=NC2=NC=N[C@H]21	96328641	QRGRYJWCRFHZLN-FRCDTIQSSA-N	282.227	-0.552	10	30	CBCC	
O=C([C@H]1CNCCO1)[n+]1ccc(CCCO)cc1	34064818	RYAJFQLRZYFQPW-GFCCVEGCSA-N	251.306	-0.472	10	30	CBCC	
O=C1NC(=S)N=C(O)/C1=C\c1c(O)[nH]c(=S)[nH]c1=O	4336896	SOQLMJSKXNRTOX-UHFFFAOYSA-N	298.305	-0.107	10	30	CBCC	
[O-]/[N+](=N/C1=NC=NC2=NC=N[C@@H]21)C1=NC=NC2=NC=N[C@@H]21	96328640	QRGRYJWCRFHZLN-BCZSTCNFSA-N	282.227	-0.552	10	30	CBCC	
[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1F	40834027	PCPGVUKMIADCCP-JVZYCSMKSA-N	286.223	-0.948	10	30	CBCC	
NCCNCCNCCNCc1ccccc1O	22440759	MBJJNGWNAZCBBO-UHFFFAOYSA-N	252.362	-0.380	10	30	CBCC	
C[C@@H]1O[C@@H](Oc2ccc(N)cc2)[C@@H](O)[C@H](O)[C@@H]1O	31540057	CITVZWPAGDTXQI-SQKFTNEHSA-N	255.270	-0.525	10	30	CBCC	in-vitro
O=C([C@@H]1CNCCO1)[n+]1ccc(CCCO)cc1	34064817	RYAJFQLRZYFQPW-LBPRGKRZSA-N	251.306	-0.472	10	30	CBCC	
Nc1ccc(N2N=C(C(=O)O)CC2=O)c(S(=O)(=O)O)c1	5161704	WXQMQGBHEYGHMN-UHFFFAOYSA-N	299.264	-0.307	10	30	CBCC	
C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O	3604421	ITJWIBNTLYIIJY-XPUUQOCRSA-N	268.269	-0.443	10	30	CBCC