smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCCCCCCC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	100053180	DOPGJHMBFNGSTK-DKTYCGPESA-N	305.371	-0.737	30	30	DBEC	
C[N+](C)(C)CC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	33611025	LGOCOIMVZQLIJR-GXTWGEPZSA-O	312.346	-0.189	30	30	DBEC	
C[N+](C)(C)CC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	33611024	LGOCOIMVZQLIJR-OCCSQVGLSA-O	312.346	-0.189	30	30	DBEC	
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](C#N)OC(C)=O	3137839	YHTPKBYAZJOQCI-UPJWGTAASA-N	315.278	-0.132	30	30	DBEC	
O=C1NOC[C@@H]1N=Cc1ccc(C=N[C@@H]2CONC2=O)cc1	2265303226	ODKYYBOHSVLGNU-TXEJJXNPSA-N	302.290	-0.616	30	30	DBEC	
N#Cc1cccnc1N1CCN(C(=O)COCC(=O)O)CC1	151332	ROSGYMRRRLJBGP-UHFFFAOYSA-N	304.306	-0.297	30	30	DBEC	
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](C=O)OC(C)=O	2568288	ZYPMNZKYVVSXOJ-XQQFMLRXSA-N	318.278	-0.457	30	30	DBEC	
CCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O	100057956	SRZQFVHBXUJPDN-KJWHEZOQSA-N	319.398	-0.083	30	30	DBEC	
C[N+](C)(C)CC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	33611026	LGOCOIMVZQLIJR-TZMCWYRMSA-O	312.346	-0.189	30	30	DBEC	
CCOC(=O)[C@@H](C#N)c1nc2c(c(=O)n(C)c(=O)n2C)n1C	38632862	BMIKTCIKJATOHU-ZETCQYMHSA-N	305.294	-0.859	30	30	DBEC	
CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](C#N)OC(C)=O	3137841	YHTPKBYAZJOQCI-AGIUHOORSA-N	315.278	-0.132	30	30	DBEC	
CN(C)/C=N/c1nc2c(ccn2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1	101151047	NDDYRXAFQQWRNH-VXWYWSEWSA-N	321.337	-0.413	30	30	DBEC	
O=C1NOC[C@@H]1N=Cc1ccc(C=N[C@H]2CONC2=O)cc1	2265303225	ODKYYBOHSVLGNU-RYUDHWBXSA-N	302.290	-0.616	30	30	DBEC	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C#N)OC(C)=O	1671111	YHTPKBYAZJOQCI-RWMBFGLXSA-N	315.278	-0.132	30	30	DBEC	
C[N+](C)(C)CC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	33611023	LGOCOIMVZQLIJR-JSGCOSHPSA-O	312.346	-0.189	30	30	DBEC	
Cc1cn2c(nc1=O)O[C@@H]1C[C@H]2O[C@@H]1COS(C)(=O)=O	29398313	JLNYOOGYXGODSD-IWSPIJDZSA-N	302.308	-0.424	30	30	DBEC	
CC(=O)OC(C#CC#CC(OC(C)=O)OC(C)=O)OC(C)=O	22002465	KAOHNPSLUMEWLE-UHFFFAOYSA-N	310.258	-0.102	30	30	DBEC	
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](C#N)OC(C)=O	3125972	YHTPKBYAZJOQCI-XQQFMLRXSA-N	315.278	-0.132	30	30	DBEC	
CN(C)S(=O)(=O)n1cnc(B2OC(C)(C)C(C)(C)O2)c1	197103350	ZWQXNFBXPCSFAO-UHFFFAOYSA-N	301.177	-0.163	30	30	DBEC	
O=C(CS)OCC(COC(=O)CS)OC(=O)CS	31317672	VSKAJYQVWVOVRT-UHFFFAOYSA-N	314.406	-0.226	30	30	DBEC	
O=C1CCC(=O)N1CC#CCN1CCN(c2ncccn2)CC1	33900418	JYZDVMAKJSAKIG-UHFFFAOYSA-N	313.361	-0.249	30	30	DBEC	
CN(C)/C=N/c1ncc2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2n1	95908366	BDHOALZAPOYTGB-PRCRKUHXSA-N	306.326	-0.312	30	30	DBEC	
CC(=O)Nc1ccc(OC(=O)CNC(=O)[C@@H](N)CS)cc1	96341966	HSOMWEKPWILSTJ-NSHDSACASA-N	311.363	-0.076	30	30	DBEC	
CNC(=O)O/N=C(\N)c1nn(C(=O)NC)cc1Br	5209235	QBPRHSIDDJETOW-UHFFFAOYSA-N	319.119	-0.191	30	30	DBEC	
O=C1NOC[C@H]1N=Cc1ccc(C=N[C@@H]2CONC2=O)cc1	2265303227	ODKYYBOHSVLGNU-VXGBXAGGSA-N	302.290	-0.616	30	30	DBEC	
O=C(Nc1ccccc1)O/N=C1\O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	38811138	GPIOBIZYEXDBSE-ABMBDTQUSA-N	312.278	-0.978	30	30	DBEC	in-vitro
CCOC(=O)[C@H](C#N)c1nc2c(c(=O)n(C)c(=O)n2C)n1C	38632864	BMIKTCIKJATOHU-SSDOTTSWSA-N	305.294	-0.859	30	30	DBEC	
C=CC(=O)ONCCN(CCNOC(=O)C=C)OC(=O)C=C	642882650	ZPTHKNCDQGSGNT-UHFFFAOYSA-N	313.310	-0.600	30	30	DBEC