smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(CCc1cccnc1)N1C[C@@H](O)[C@H](N2CCOCC2)C1	216673809	QPYRLNIEUSVSAR-HUUCEWRRSA-N	305.378	-0.082	70	40	DBIB	
O=C(Nc1cnn(CC2CCOCC2)c1)c1cc(=O)[nH]c(=O)[nH]1	218226694	UXWQLHZVOVFTFQ-UHFFFAOYSA-N	319.321	-0.061	70	40	DBIB	
CN(C)S(=O)(=O)N1Cc2cnc(N3CCOCC3)nc2C1	217617055	SBZANNJAUWLLCT-UHFFFAOYSA-N	313.383	-0.565	70	40	DBIB	
Cn1c(=O)c2c(nc(Cl)n2CCS(=O)(=O)F)n(C)c1=O	100563060	AAKRTYJRAGBIJZ-UHFFFAOYSA-N	324.721	-0.614	70	40	DBIB	
Cn1cc(S(=O)(=O)NCC[C@H](O)C2CCOCC2)cn1	217926765	MUQDRHBMHAMVGX-LBPRGKRZSA-N	303.384	-0.124	70	40	DBIB	
O=C(c1ccc[n+]([O-])c1S(=O)(=O)Cl)N1CCOCC1	218814217	YEFCNXDPFOYLIX-UHFFFAOYSA-N	306.727	-0.280	70	40	DBIB	
COc1ccc(C(N)=O)cc1S(=O)(=O)N1CCN(C)CC1	216782830	OGRGBBLCSBXDGA-UHFFFAOYSA-N	313.379	-0.270	70	40	DBIB	
CNS(=O)(=O)c1cc(C(N)=O)ccc1N1CCN(C)CC1	216789068	GRCFTAYBFFQRPA-UHFFFAOYSA-N	312.395	-0.555	70	40	DBIB	
Cc1cc(OC2CN(C(=O)CN3C(=O)CCC3=O)C2)cc(=O)o1	217750992	HTIIIXFAUCJWSA-UHFFFAOYSA-N	320.301	-0.313	70	40	DBIB	
Cn1cc(S(=O)(=O)NCC[C@@H](O)C2CCOCC2)cn1	217926837	MUQDRHBMHAMVGX-GFCCVEGCSA-N	303.384	-0.124	70	40	DBIB	
Cc1cc(OC2CN(S(=O)(=O)N(C)C)C2)cc(=O)n1C	217758212	JEFLWTSIVXXGIS-UHFFFAOYSA-N	301.368	-0.437	70	40	DBIB