smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC1(C)O[C@@H]2[C@@H](CN=[N+]=[N-])O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H]2O1	138070084	FAHBDKLSCXOPMJ-PEBGCTIMSA-N	309.282	0.264	10	30	DCCC	
Cc1nc(C(=O)NC2(O)C(=O)c3ccccc3C2=O)cs1	145992	LKDSKVDDVZHKHS-UHFFFAOYSA-N	302.311	0.949	10	30	DCCC	
O=C1c2cc(O)c(O)c(O)c2C(=O)c2cc(O)c(O)c(O)c21	3823564	NEIMTOOWBACOHT-UHFFFAOYSA-N	304.210	0.696	10	30	DCCC	in-vitro
COCCN1C(=O)NC(=O)C(=Cc2ccc(O)c(OC)c2)C1=O	2265270096	RECHBHNAGCCNHT-UHFFFAOYSA-N	320.301	0.509	10	30	DCCC	
COc1cc(OC)c(C=C2C(=O)NC(=S)NC2=O)c(OC)c1	136845	PFJBKNSBFMALPV-UHFFFAOYSA-N	322.342	0.627	10	30	DCCC	
CN1CCN(c2ccc(CN3CCS(=O)(=O)CC3)cc2)CC1	130144	ZBRVKBSSYGRSGP-UHFFFAOYSA-N	323.462	0.669	10	30	DCCC	
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCO)ccc(O)c21	44712489	SCJFFDFUNHMDSE-UHFFFAOYSA-N	315.281	0.983	10	30	DCCC	
COC(OC)[C@@H]1O[C@@H](CN=[N+]=[N-])[C@H]2[C@@H]1Oc1nc(=O)ccn12	585139004	KCTHWGOFAJPCNJ-MIBSWOBISA-N	309.282	0.242	10	30	DCCC	
NC1=NNC(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1	13467930	HZVSCFCZLZXDNP-FLIBITNWSA-N	317.305	0.217	10	30	DCCC