smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
N#CC(C#N)=CNNC(=O)CNC(=O)c1ccccc1[N+](=O)[O-]	2161123	KYBZKAMLLANEKV-UHFFFAOYSA-N	314.261	-0.124	50	30	DBGC	
C[C@H]1CCC(=O)N1CC(=O)NNC(=O)CN1C(=O)CC[C@@H]1C	196393176	BZPVVXCRPZQTAQ-UWVGGRQHSA-N	310.354	-0.844	50	30	DBGC	
COC(=O)CCNCCNCCC[Si](OC)(OC)OC	195763173	IKUCSZCOPRPNOY-UHFFFAOYSA-N	308.451	-0.003	50	30	DBGC	
CC(C)(O)C(C)(C)N(CCO)C(=O)c1ccc(B(O)O)cc1	604934453	WPHBYJVAWAZDAH-UHFFFAOYSA-N	309.171	-0.650	50	30	DBGC	
O=C(CN1CCS(=O)(=O)CC1)NN=Cc1cccs1	254753296	XZGZVUJVUITRCG-UHFFFAOYSA-N	301.393	-0.071	50	30	DBGC	
O=C(NNc1nnc2c(O)nc(O)nc2n1)c1ccncc1	604971346	QQDYNQFSMIKXAI-UHFFFAOYSA-N	300.238	-0.622	50	30	DBGC	
O=C(Cn1nnc(N2CCCC2)n1)N/N=C/c1ccncc1	88976	SQOLBARZKFVMNO-OQLLNIDSSA-N	300.326	-0.181	50	30	DBGC	
O=C(Cn1nnc(N2CCCC2)n1)N/N=C/c1cccnc1	89053	XOBHAYYPSXNITG-OQLLNIDSSA-N	300.326	-0.181	50	30	DBGC	
Cn1c(=O)c2c(ncn2CC(=O)CBr)n(C)c1=O	33605917	CKGMJGVOFVQVCF-UHFFFAOYSA-N	315.127	-0.602	50	30	DBGC	
CO[C@@H]1C[C@@H](NC(=O)N(CCCl)N=O)[C@H](O)[C@@H](CO)O1	3779706	YQYBWJPESSJLTK-HXFLIBJXSA-N	311.722	-0.599	50	30	DBGC	in-man
O=C(Cn1nnc(N2CCCC2)n1)N/N=C/c1ccccn1	88991	OXMAOGWPKHMNCV-OQLLNIDSSA-N	300.326	-0.181	50	30	DBGC	
CNC(=S)NNC(=O)Cn1ccc(C(F)(F)F)cc1=O	127012	MZWLXSVRRGSRNR-UHFFFAOYSA-N	308.285	-0.008	50	30	DBGC	
CN(C(C)(C)C(C)(C)O)S(=O)(=O)c1ccc(B(O)O)cc1	200305499	QMABGBBDUHJYIB-UHFFFAOYSA-N	315.200	-0.464	50	30	DBGC	
C[C@H]1CCC(=O)N1CC(=O)NNC(=O)CN1C(=O)CC[C@H]1C	196393167	BZPVVXCRPZQTAQ-AOOOYVTPSA-N	310.354	-0.844	50	30	DBGC	
C[C@@H]1CCC(=O)N1CC(=O)NNC(=O)CN1C(=O)CC[C@H]1C	196393162	BZPVVXCRPZQTAQ-NXEZZACHSA-N	310.354	-0.844	50	30	DBGC	
COc1ccc2c(c1)nnc1nnc(SCC(=O)NN)n12	133809	OXHKZGLLSOHQFH-UHFFFAOYSA-N	305.323	-0.237	50	30	DBGC	
CC(=O)OOC(=O)[C@@H](N)Cc1ccc(OC(=O)[C@@H](C)N)cc1	223673667	OBWHRVSUYURYMH-PELKAZGASA-N	310.306	-0.170	50	30	DBGC	
CNC(=O)N(N(CCCl)S(C)(=O)=O)S(C)(=O)=O	1544545	PVCULFYROUOVGJ-UHFFFAOYSA-N	307.781	-0.997	50	30	DBGC	investigational