smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CN1C(=O)NC(=O)/C(=C/NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C)C1=O	9243873	AFAAOENYIVJOKL-WAYWQWQTSA-N	376.333	-2.521	10	40	GACB	
C/[N+]([O-])=N/CO[C@H]1O[C@@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O	4803383	DQCANINXHQSIAW-QCABQIRXSA-N	384.338	-4.184	10	40	GACB	
O=c1[nH]c(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1/N=N/NCc1ccccc1	5811023	MNMWZPRCWVDILM-KYEXWDHISA-N	377.357	-1.063	10	40	GACB	
CN1C(=O)C(=CNNc2nc3c(c(=O)n(C)c(=O)n3C)n2C)C(=O)N(C)C1=O	1508588	KVWLEQVDOMIZBS-UHFFFAOYSA-N	390.360	-2.179	10	40	GACB	
O=C1NC(=S)NC(=O)C1=CN1CCN(C=C2C(=O)NC(=S)NC2=O)CC1	16138139	CLKSREQBTFPIID-UHFFFAOYSA-N	394.438	-2.566	10	40	GACB	
[N-]=[N+]=NC[C@H]1O[C@H](O[C@H]2O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	32063285	SEOGZJSYAKUEQG-LIZSDCNHSA-N	392.325	-2.761	10	40	GACB	
CN1C(=O)NC(=O)/C(=C\NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C)C1=O	9886119	AFAAOENYIVJOKL-AATRIKPKSA-N	376.333	-2.521	10	40	GACB	
O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1/N=N/NCc1ccccc1	5811021	MNMWZPRCWVDILM-JLNYLFASSA-N	377.357	-1.063	10	40	GACB	
[N-]=[N+]=NCCOCCOCCOCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	1775937714	AJCOHNWPGBTGTQ-RKQHYHRCSA-N	381.382	-1.837	10	40	GACB	
C/[N+]([O-])=N/CO[C@@H]1O[C@@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O	4803384	DQCANINXHQSIAW-RXGWBNQZSA-N	384.338	-4.184	10	40	GACB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\NC(CO)(CO)CO)C2=O)cc1	102890538	RQDBCASJLZWDCI-NTUHNPAUSA-N	379.369	-1.143	10	40	GACB	
Nc1cc(N)c(C=C2C(=O)NC(=O)NC2=O)cc1C=C1C(=O)NC(=O)NC1=O	4235292	KFUGNWUAGAJPJE-UHFFFAOYSA-N	384.308	-1.650	10	40	GACB	biogenic
CN1C(=O)C(=CNCCNC=C2C(=O)N(C)C(=O)N(C)C2=O)C(=O)N(C)C1=O	2255660	PKAMNMQBWDVRIY-UHFFFAOYSA-N	392.372	-1.966	10	40	GACB	
O=[N+]([O-])C(CO)(CO)/[N+]([O-])=N/c1nonc1/N=[N+](\[O-])C(CO)(CO)[N+](=O)[O-]	44932696	LMURSQVKUYXDBH-FOIMCPNXSA-N	396.229	-2.827	10	40	GACB	
C/[N+]([O-])=N\CO[C@@H]1O[C@@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O	104364980	DQCANINXHQSIAW-FAGPHNPRSA-N	384.338	-4.184	10	40	GACB	
C/[N+]([O-])=N\CO[C@H]1O[C@@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O	104364976	DQCANINXHQSIAW-MUOUVBNVSA-N	384.338	-4.184	10	40	GACB	
C/[N+]([O-])=N/CO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O	4097628	DQCANINXHQSIAW-PIPPMKSRSA-N	384.338	-4.184	10	40	GACB	in-vitro
CCOc1ccc(N2C(=O)NC(=O)/C(=C/NC(CO)(CO)CO)C2=O)cc1	5900466	RQDBCASJLZWDCI-QPEQYQDCSA-N	379.369	-1.143	10	40	GACB